File: TrastuzumabMaxPlus3Register.mol

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rdkit 202503.6-4
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size: 222,000 kB
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file content (2851 lines) | stat: -rw-r--r-- 123,311 bytes

  -INDIGO-01212517052D

  0  0  0  0  0  0  0  0  0  0  0 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 925 933 0 0 0
M  V30 BEGIN ATOM
M  V30 1 E 1.25 -1.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 2 Br)
M  V30 2 V 2.75 -1.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 1 Al 3 Br)
M  V30 3 Q 4.25 -1.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 2 Al 4 Br)
M  V30 4 L 5.75 -1.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 3 Al 5 Br)
M  V30 5 V 7.25 -1.25 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 4 Al 6 Br)
M  V30 6 E 8.75 -1.25 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 5 Al 7 Br)
M  V30 7 S 10.25 -1.25 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 6 Al 8 Br)
M  V30 8 G 11.75 -1.25 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 7 Al 9 Br)
M  V30 9 G 13.25 -1.25 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 8 Al 10 Br)
M  V30 10 G 14.75 -1.25 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 9 Al 11 Br)
M  V30 11 L 16.25 -1.25 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 10 Al 12 Br)
M  V30 12 V 17.75 -1.25 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 11 Al 13 Br)
M  V30 13 Q 19.25 -1.25 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 12 Al 14 Br)
M  V30 14 P 20.75 -1.25 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 13 Al 15 Br)
M  V30 15 G 22.25 -1.25 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 14 Al 16 Br)
M  V30 16 G 23.75 -1.25 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 15 Al 17 Br)
M  V30 17 S 25.25 -1.25 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 16 Al 18 Br)
M  V30 18 L 26.75 -1.25 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 17 Al 19 Br)
M  V30 19 R 28.25 -1.25 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 18 Al 20 Br)
M  V30 20 L 29.75 -1.25 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 19 Al 21 Br)
M  V30 21 S 31.25 -1.25 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 20 Al 22 Br)
M  V30 22 C 32.75 -1.25 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(6 21 Al 23 Br 96 Cx-
M  V30 )
M  V30 23 A 34.25 -1.25 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(4 22 Al 24 Br)
M  V30 24 A 35.75 -1.25 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 23 Al 25 Br)
M  V30 25 S 37.25 -1.25 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 24 Al 26 Br)
M  V30 26 G 1.25 -2.75 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 25 Al 27 Br)
M  V30 27 F 2.75 -2.75 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 26 Al 28 Br)
M  V30 28 N 4.25 -2.75 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 27 Al 29 Br)
M  V30 29 I 5.75 -2.75 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 28 Al 30 Br)
M  V30 30 K 7.25 -2.75 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 29 Al 31 Br)
M  V30 31 D 8.75 -2.75 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 30 Al 32 Br)
M  V30 32 T 10.25 -2.75 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 31 Al 33 Br)
M  V30 33 Y 11.75 -2.75 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 32 Al 34 Br)
M  V30 34 I 13.25 -2.75 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 33 Al 35 Br)
M  V30 35 H 14.75 -2.75 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 34 Al 36 Br)
M  V30 36 W 16.25 -2.75 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 35 Al 37 Br)
M  V30 37 V 17.75 -2.75 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 36 Al 38 Br)
M  V30 38 R 19.25 -2.75 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 37 Al 39 Br)
M  V30 39 Q 20.75 -2.75 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 38 Al 40 Br)
M  V30 40 A 22.25 -2.75 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 39 Al 41 Br)
M  V30 41 P 23.75 -2.75 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 40 Al 42 Br)
M  V30 42 G 25.25 -2.75 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 41 Al 43 Br)
M  V30 43 K 26.75 -2.75 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 42 Al 44 Br)
M  V30 44 G 28.25 -2.75 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 43 Al 45 Br)
M  V30 45 L 29.75 -2.75 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 44 Al 46 Br)
M  V30 46 E 31.25 -2.75 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 45 Al 47 Br)
M  V30 47 W 32.75 -2.75 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 46 Al 48 Br)
M  V30 48 V 34.25 -2.75 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 47 Al 49 Br)
M  V30 49 A 35.75 -2.75 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 48 Al 50 Br)
M  V30 50 R 37.25 -2.75 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 49 Al 51 Br)
M  V30 51 I 1.25 -4.25 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 50 Al 52 Br)
M  V30 52 Y 2.75 -4.25 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 51 Al 53 Br)
M  V30 53 P 4.25 -4.25 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 52 Al 54 Br)
M  V30 54 T 5.75 -4.25 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 53 Al 55 Br)
M  V30 55 N 7.25 -4.25 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 54 Al 56 Br)
M  V30 56 G 8.75 -4.25 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 55 Al 57 Br)
M  V30 57 Y 10.25 -4.25 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 56 Al 58 Br)
M  V30 58 T 11.75 -4.25 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 57 Al 59 Br)
M  V30 59 R 13.25 -4.25 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 58 Al 60 Br)
M  V30 60 Y 14.75 -4.25 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 59 Al 61 Br)
M  V30 61 A 16.25 -4.25 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 60 Al 62 Br)
M  V30 62 D 17.75 -4.25 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 61 Al 63 Br)
M  V30 63 S 19.25 -4.25 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(4 62 Al 64 Br)
M  V30 64 V 20.75 -4.25 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 63 Al 65 Br)
M  V30 65 K 22.25 -4.25 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 64 Al 66 Br)
M  V30 66 G 23.75 -4.25 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 65 Al 67 Br)
M  V30 67 R 25.25 -4.25 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 66 Al 68 Br)
M  V30 68 F 26.75 -4.25 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 67 Al 69 Br)
M  V30 69 T 28.25 -4.25 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 68 Al 70 Br)
M  V30 70 I 29.75 -4.25 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 69 Al 71 Br)
M  V30 71 S 31.25 -4.25 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 70 Al 72 Br)
M  V30 72 A 32.75 -4.25 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 71 Al 73 Br)
M  V30 73 D 34.25 -4.25 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 72 Al 74 Br)
M  V30 74 T 35.75 -4.25 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 73 Al 75 Br)
M  V30 75 S 37.25 -4.25 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 74 Al 76 Br)
M  V30 76 K 1.25 -5.75 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 75 Al 77 Br)
M  V30 77 N 2.75 -5.75 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 76 Al 78 Br)
M  V30 78 T 4.25 -5.75 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 77 Al 79 Br)
M  V30 79 A 5.75 -5.75 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 78 Al 80 Br)
M  V30 80 Y 7.25 -5.75 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 79 Al 81 Br)
M  V30 81 L 8.75 -5.75 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 80 Al 82 Br)
M  V30 82 Q 10.25 -5.75 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 81 Al 83 Br)
M  V30 83 M 11.75 -5.75 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(4 82 Al 84 Br)
M  V30 84 N 13.25 -5.75 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 83 Al 85 Br)
M  V30 85 S 14.75 -5.75 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 84 Al 86 Br)
M  V30 86 L 16.25 -5.75 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 85 Al 87 Br)
M  V30 87 R 17.75 -5.75 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 86 Al 88 Br)
M  V30 88 A 19.25 -5.75 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(4 87 Al 89 Br)
M  V30 89 E 20.75 -5.75 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(4 88 Al 90 Br)
M  V30 90 D 22.25 -5.75 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 89 Al 91 Br)
M  V30 91 T 23.75 -5.75 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 90 Al 92 Br)
M  V30 92 A 25.25 -5.75 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(4 91 Al 93 Br)
M  V30 93 V 26.75 -5.75 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 92 Al 94 Br)
M  V30 94 Y 28.25 -5.75 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 93 Al 95 Br)
M  V30 95 Y 29.75 -5.75 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 94 Al 96 Br)
M  V30 96 C 31.25 -5.75 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(6 95 Al 97 Br 22 Cx-
M  V30 )
M  V30 97 S 32.75 -5.75 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 96 Al 98 Br)
M  V30 98 R 34.25 -5.75 0.0 0 CLASS=AA SEQID=98 ATTCHORD=(4 97 Al 99 Br)
M  V30 99 W 35.75 -5.75 0.0 0 CLASS=AA SEQID=99 ATTCHORD=(4 98 Al 100 Br)
M  V30 100 G 37.25 -5.75 0.0 0 CLASS=AA SEQID=100 ATTCHORD=(4 99 Al 101 Br)
M  V30 101 G 1.25 -7.25 0.0 0 CLASS=AA SEQID=101 ATTCHORD=(4 100 Al 102 Br)
M  V30 102 D 2.75 -7.25 0.0 0 CLASS=AA SEQID=102 ATTCHORD=(4 101 Al 103 Br)
M  V30 103 G 4.25 -7.25 0.0 0 CLASS=AA SEQID=103 ATTCHORD=(4 102 Al 104 Br)
M  V30 104 F 5.75 -7.25 0.0 0 CLASS=AA SEQID=104 ATTCHORD=(4 103 Al 105 Br)
M  V30 105 Y 7.25 -7.25 0.0 0 CLASS=AA SEQID=105 ATTCHORD=(4 104 Al 106 Br)
M  V30 106 A 8.75 -7.25 0.0 0 CLASS=AA SEQID=106 ATTCHORD=(4 105 Al 107 Br)
M  V30 107 M 10.25 -7.25 0.0 0 CLASS=AA SEQID=107 ATTCHORD=(4 106 Al 108 Br)
M  V30 108 D 11.75 -7.25 0.0 0 CLASS=AA SEQID=108 ATTCHORD=(4 107 Al 109 Br)
M  V30 109 Y 13.25 -7.25 0.0 0 CLASS=AA SEQID=109 ATTCHORD=(4 108 Al 110 Br)
M  V30 110 W 14.75 -7.25 0.0 0 CLASS=AA SEQID=110 ATTCHORD=(4 109 Al 111 Br)
M  V30 111 G 16.25 -7.25 0.0 0 CLASS=AA SEQID=111 ATTCHORD=(4 110 Al 112 Br)
M  V30 112 Q 17.75 -7.25 0.0 0 CLASS=AA SEQID=112 ATTCHORD=(4 111 Al 113 Br)
M  V30 113 G 19.25 -7.25 0.0 0 CLASS=AA SEQID=113 ATTCHORD=(4 112 Al 114 Br)
M  V30 114 T 20.75 -7.25 0.0 0 CLASS=AA SEQID=114 ATTCHORD=(4 113 Al 115 Br)
M  V30 115 L 22.25 -7.25 0.0 0 CLASS=AA SEQID=115 ATTCHORD=(4 114 Al 116 Br)
M  V30 116 V 23.75 -7.25 0.0 0 CLASS=AA SEQID=116 ATTCHORD=(4 115 Al 117 Br)
M  V30 117 T 25.25 -7.25 0.0 0 CLASS=AA SEQID=117 ATTCHORD=(4 116 Al 118 Br)
M  V30 118 V 26.75 -7.25 0.0 0 CLASS=AA SEQID=118 ATTCHORD=(4 117 Al 119 Br)
M  V30 119 S 28.25 -7.25 0.0 0 CLASS=AA SEQID=119 ATTCHORD=(4 118 Al 120 Br)
M  V30 120 S 29.75 -7.25 0.0 0 CLASS=AA SEQID=120 ATTCHORD=(4 119 Al 121 Br)
M  V30 121 A 31.25 -7.25 0.0 0 CLASS=AA SEQID=121 ATTCHORD=(4 120 Al 122 Br)
M  V30 122 S 32.75 -7.25 0.0 0 CLASS=AA SEQID=122 ATTCHORD=(4 121 Al 123 Br)
M  V30 123 T 34.25 -7.25 0.0 0 CLASS=AA SEQID=123 ATTCHORD=(4 122 Al 124 Br)
M  V30 124 K 35.75 -7.25 0.0 0 CLASS=AA SEQID=124 ATTCHORD=(4 123 Al 125 Br)
M  V30 125 G 37.25 -7.25 0.0 0 CLASS=AA SEQID=125 ATTCHORD=(4 124 Al 126 Br)
M  V30 126 P 1.25 -8.75 0.0 0 CLASS=AA SEQID=126 ATTCHORD=(4 125 Al 127 Br)
M  V30 127 S 2.75 -8.75 0.0 0 CLASS=AA SEQID=127 ATTCHORD=(4 126 Al 128 Br)
M  V30 128 V 4.25 -8.75 0.0 0 CLASS=AA SEQID=128 ATTCHORD=(4 127 Al 129 Br)
M  V30 129 F 5.75 -8.75 0.0 0 CLASS=AA SEQID=129 ATTCHORD=(4 128 Al 130 Br)
M  V30 130 P 7.25 -8.75 0.0 0 CLASS=AA SEQID=130 ATTCHORD=(4 129 Al 131 Br)
M  V30 131 L 8.75 -8.75 0.0 0 CLASS=AA SEQID=131 ATTCHORD=(4 130 Al 132 Br)
M  V30 132 A 10.25 -8.75 0.0 0 CLASS=AA SEQID=132 ATTCHORD=(4 131 Al 133 Br)
M  V30 133 P 11.75 -8.75 0.0 0 CLASS=AA SEQID=133 ATTCHORD=(4 132 Al 134 Br)
M  V30 134 S 13.25 -8.75 0.0 0 CLASS=AA SEQID=134 ATTCHORD=(4 133 Al 135 Br)
M  V30 135 S 14.75 -8.75 0.0 0 CLASS=AA SEQID=135 ATTCHORD=(4 134 Al 136 Br)
M  V30 136 K 16.25 -8.75 0.0 0 CLASS=AA SEQID=136 ATTCHORD=(4 135 Al 137 Br)
M  V30 137 S 17.75 -8.75 0.0 0 CLASS=AA SEQID=137 ATTCHORD=(4 136 Al 138 Br)
M  V30 138 T 19.25 -8.75 0.0 0 CLASS=AA SEQID=138 ATTCHORD=(4 137 Al 139 Br)
M  V30 139 S 20.75 -8.75 0.0 0 CLASS=AA SEQID=139 ATTCHORD=(4 138 Al 140 Br)
M  V30 140 G 22.25 -8.75 0.0 0 CLASS=AA SEQID=140 ATTCHORD=(4 139 Al 141 Br)
M  V30 141 G 23.75 -8.75 0.0 0 CLASS=AA SEQID=141 ATTCHORD=(4 140 Al 142 Br)
M  V30 142 T 25.25 -8.75 0.0 0 CLASS=AA SEQID=142 ATTCHORD=(4 141 Al 143 Br)
M  V30 143 A 26.75 -8.75 0.0 0 CLASS=AA SEQID=143 ATTCHORD=(4 142 Al 144 Br)
M  V30 144 A 28.25 -8.75 0.0 0 CLASS=AA SEQID=144 ATTCHORD=(4 143 Al 145 Br)
M  V30 145 L 29.75 -8.75 0.0 0 CLASS=AA SEQID=145 ATTCHORD=(4 144 Al 146 Br)
M  V30 146 G 31.25 -8.75 0.0 0 CLASS=AA SEQID=146 ATTCHORD=(4 145 Al 147 Br)
M  V30 147 C 32.75 -8.75 0.0 0 CLASS=AA SEQID=147 ATTCHORD=(6 146 Al 148 Br 2-
M  V30 03 Cx)
M  V30 148 L 34.25 -8.75 0.0 0 CLASS=AA SEQID=148 ATTCHORD=(4 147 Al 149 Br)
M  V30 149 V 35.75 -8.75 0.0 0 CLASS=AA SEQID=149 ATTCHORD=(4 148 Al 150 Br)
M  V30 150 K 37.25 -8.75 0.0 0 CLASS=AA SEQID=150 ATTCHORD=(4 149 Al 151 Br)
M  V30 151 D 1.25 -10.25 0.0 0 CLASS=AA SEQID=151 ATTCHORD=(4 150 Al 152 Br)
M  V30 152 Y 2.75 -10.25 0.0 0 CLASS=AA SEQID=152 ATTCHORD=(4 151 Al 153 Br)
M  V30 153 F 4.25 -10.25 0.0 0 CLASS=AA SEQID=153 ATTCHORD=(4 152 Al 154 Br)
M  V30 154 P 5.75 -10.25 0.0 0 CLASS=AA SEQID=154 ATTCHORD=(4 153 Al 155 Br)
M  V30 155 E 7.25 -10.25 0.0 0 CLASS=AA SEQID=155 ATTCHORD=(4 154 Al 156 Br)
M  V30 156 P 8.75 -10.25 0.0 0 CLASS=AA SEQID=156 ATTCHORD=(4 155 Al 157 Br)
M  V30 157 V 10.25 -10.25 0.0 0 CLASS=AA SEQID=157 ATTCHORD=(4 156 Al 158 Br)
M  V30 158 T 11.75 -10.25 0.0 0 CLASS=AA SEQID=158 ATTCHORD=(4 157 Al 159 Br)
M  V30 159 V 13.25 -10.25 0.0 0 CLASS=AA SEQID=159 ATTCHORD=(4 158 Al 160 Br)
M  V30 160 S 14.75 -10.25 0.0 0 CLASS=AA SEQID=160 ATTCHORD=(4 159 Al 161 Br)
M  V30 161 W 16.25 -10.25 0.0 0 CLASS=AA SEQID=161 ATTCHORD=(4 160 Al 162 Br)
M  V30 162 N 17.75 -10.25 0.0 0 CLASS=AA SEQID=162 ATTCHORD=(4 161 Al 163 Br)
M  V30 163 S 19.25 -10.25 0.0 0 CLASS=AA SEQID=163 ATTCHORD=(4 162 Al 164 Br)
M  V30 164 G 20.75 -10.25 0.0 0 CLASS=AA SEQID=164 ATTCHORD=(4 163 Al 165 Br)
M  V30 165 A 22.25 -10.25 0.0 0 CLASS=AA SEQID=165 ATTCHORD=(4 164 Al 166 Br)
M  V30 166 L 23.75 -10.25 0.0 0 CLASS=AA SEQID=166 ATTCHORD=(4 165 Al 167 Br)
M  V30 167 T 25.25 -10.25 0.0 0 CLASS=AA SEQID=167 ATTCHORD=(4 166 Al 168 Br)
M  V30 168 S 26.75 -10.25 0.0 0 CLASS=AA SEQID=168 ATTCHORD=(4 167 Al 169 Br)
M  V30 169 G 28.25 -10.25 0.0 0 CLASS=AA SEQID=169 ATTCHORD=(4 168 Al 170 Br)
M  V30 170 V 29.75 -10.25 0.0 0 CLASS=AA SEQID=170 ATTCHORD=(4 169 Al 171 Br)
M  V30 171 H 31.25 -10.25 0.0 0 CLASS=AA SEQID=171 ATTCHORD=(4 170 Al 172 Br)
M  V30 172 T 32.75 -10.25 0.0 0 CLASS=AA SEQID=172 ATTCHORD=(4 171 Al 173 Br)
M  V30 173 F 34.25 -10.25 0.0 0 CLASS=AA SEQID=173 ATTCHORD=(4 172 Al 174 Br)
M  V30 174 P 35.75 -10.25 0.0 0 CLASS=AA SEQID=174 ATTCHORD=(4 173 Al 175 Br)
M  V30 175 A 37.25 -10.25 0.0 0 CLASS=AA SEQID=175 ATTCHORD=(4 174 Al 176 Br)
M  V30 176 V 1.25 -11.75 0.0 0 CLASS=AA SEQID=176 ATTCHORD=(4 175 Al 177 Br)
M  V30 177 L 2.75 -11.75 0.0 0 CLASS=AA SEQID=177 ATTCHORD=(4 176 Al 178 Br)
M  V30 178 Q 4.25 -11.75 0.0 0 CLASS=AA SEQID=178 ATTCHORD=(4 177 Al 179 Br)
M  V30 179 S 5.75 -11.75 0.0 0 CLASS=AA SEQID=179 ATTCHORD=(4 178 Al 180 Br)
M  V30 180 S 7.25 -11.75 0.0 0 CLASS=AA SEQID=180 ATTCHORD=(4 179 Al 181 Br)
M  V30 181 G 8.75 -11.75 0.0 0 CLASS=AA SEQID=181 ATTCHORD=(4 180 Al 182 Br)
M  V30 182 L 10.25 -11.75 0.0 0 CLASS=AA SEQID=182 ATTCHORD=(4 181 Al 183 Br)
M  V30 183 Y 11.75 -11.75 0.0 0 CLASS=AA SEQID=183 ATTCHORD=(4 182 Al 184 Br)
M  V30 184 S 13.25 -11.75 0.0 0 CLASS=AA SEQID=184 ATTCHORD=(4 183 Al 185 Br)
M  V30 185 L 14.75 -11.75 0.0 0 CLASS=AA SEQID=185 ATTCHORD=(4 184 Al 186 Br)
M  V30 186 S 16.25 -11.75 0.0 0 CLASS=AA SEQID=186 ATTCHORD=(4 185 Al 187 Br)
M  V30 187 S 17.75 -11.75 0.0 0 CLASS=AA SEQID=187 ATTCHORD=(4 186 Al 188 Br)
M  V30 188 V 19.25 -11.75 0.0 0 CLASS=AA SEQID=188 ATTCHORD=(4 187 Al 189 Br)
M  V30 189 V 20.75 -11.75 0.0 0 CLASS=AA SEQID=189 ATTCHORD=(4 188 Al 190 Br)
M  V30 190 T 22.25 -11.75 0.0 0 CLASS=AA SEQID=190 ATTCHORD=(4 189 Al 191 Br)
M  V30 191 V 23.75 -11.75 0.0 0 CLASS=AA SEQID=191 ATTCHORD=(4 190 Al 192 Br)
M  V30 192 P 25.25 -11.75 0.0 0 CLASS=AA SEQID=192 ATTCHORD=(4 191 Al 193 Br)
M  V30 193 S 26.75 -11.75 0.0 0 CLASS=AA SEQID=193 ATTCHORD=(4 192 Al 194 Br)
M  V30 194 S 28.25 -11.75 0.0 0 CLASS=AA SEQID=194 ATTCHORD=(4 193 Al 195 Br)
M  V30 195 S 29.75 -11.75 0.0 0 CLASS=AA SEQID=195 ATTCHORD=(4 194 Al 196 Br)
M  V30 196 L 31.25 -11.75 0.0 0 CLASS=AA SEQID=196 ATTCHORD=(4 195 Al 197 Br)
M  V30 197 G 32.75 -11.75 0.0 0 CLASS=AA SEQID=197 ATTCHORD=(4 196 Al 198 Br)
M  V30 198 T 34.25 -11.75 0.0 0 CLASS=AA SEQID=198 ATTCHORD=(4 197 Al 199 Br)
M  V30 199 Q 35.75 -11.75 0.0 0 CLASS=AA SEQID=199 ATTCHORD=(4 198 Al 200 Br)
M  V30 200 T 37.25 -11.75 0.0 0 CLASS=AA SEQID=200 ATTCHORD=(4 199 Al 201 Br)
M  V30 201 Y 1.25 -13.25 0.0 0 CLASS=AA SEQID=201 ATTCHORD=(4 200 Al 202 Br)
M  V30 202 I 2.75 -13.25 0.0 0 CLASS=AA SEQID=202 ATTCHORD=(4 201 Al 203 Br)
M  V30 203 C 4.25 -13.25 0.0 0 CLASS=AA SEQID=203 ATTCHORD=(6 202 Al 204 Br 1-
M  V30 47 Cx)
M  V30 204 N 5.75 -13.25 0.0 0 CLASS=AA SEQID=204 ATTCHORD=(4 203 Al 205 Br)
M  V30 205 V 7.25 -13.25 0.0 0 CLASS=AA SEQID=205 ATTCHORD=(4 204 Al 206 Br)
M  V30 206 N 8.75 -13.25 0.0 0 CLASS=AA SEQID=206 ATTCHORD=(4 205 Al 207 Br)
M  V30 207 H 10.25 -13.25 0.0 0 CLASS=AA SEQID=207 ATTCHORD=(4 206 Al 208 Br)
M  V30 208 K 11.75 -13.25 0.0 0 CLASS=AA SEQID=208 ATTCHORD=(4 207 Al 209 Br)
M  V30 209 P 13.25 -13.25 0.0 0 CLASS=AA SEQID=209 ATTCHORD=(4 208 Al 210 Br)
M  V30 210 S 14.75 -13.25 0.0 0 CLASS=AA SEQID=210 ATTCHORD=(4 209 Al 211 Br)
M  V30 211 N 16.25 -13.25 0.0 0 CLASS=AA SEQID=211 ATTCHORD=(4 210 Al 212 Br)
M  V30 212 T 17.75 -13.25 0.0 0 CLASS=AA SEQID=212 ATTCHORD=(4 211 Al 213 Br)
M  V30 213 K 19.25 -13.25 0.0 0 CLASS=AA SEQID=213 ATTCHORD=(4 212 Al 214 Br)
M  V30 214 V 20.75 -13.25 0.0 0 CLASS=AA SEQID=214 ATTCHORD=(4 213 Al 215 Br)
M  V30 215 D 22.25 -13.25 0.0 0 CLASS=AA SEQID=215 ATTCHORD=(4 214 Al 216 Br)
M  V30 216 K 23.75 -13.25 0.0 0 CLASS=AA SEQID=216 ATTCHORD=(4 215 Al 217 Br)
M  V30 217 K 25.25 -13.25 0.0 0 CLASS=AA SEQID=217 ATTCHORD=(4 216 Al 218 Br)
M  V30 218 V 26.75 -13.25 0.0 0 CLASS=AA SEQID=218 ATTCHORD=(4 217 Al 219 Br)
M  V30 219 E 28.25 -13.25 0.0 0 CLASS=AA SEQID=219 ATTCHORD=(4 218 Al 220 Br)
M  V30 220 P 29.75 -13.25 0.0 0 CLASS=AA SEQID=220 ATTCHORD=(4 219 Al 221 Br)
M  V30 221 K 31.25 -13.25 0.0 0 CLASS=AA SEQID=221 ATTCHORD=(4 220 Al 222 Br)
M  V30 222 S 32.75 -13.25 0.0 0 CLASS=AA SEQID=222 ATTCHORD=(4 221 Al 223 Br)
M  V30 223 C 34.25 -13.25 0.0 0 CLASS=AA SEQID=223 ATTCHORD=(6 222 Al 224 Br -
M  V30 611 Cx)
M  V30 224 D 35.75 -13.25 0.0 0 CLASS=AA SEQID=224 ATTCHORD=(4 223 Al 225 Br)
M  V30 225 K 37.25 -13.25 0.0 0 CLASS=AA SEQID=225 ATTCHORD=(4 224 Al 226 Br)
M  V30 226 T 1.25 -14.75 0.0 0 CLASS=AA SEQID=226 ATTCHORD=(4 225 Al 227 Br)
M  V30 227 H 2.75 -14.75 0.0 0 CLASS=AA SEQID=227 ATTCHORD=(4 226 Al 228 Br)
M  V30 228 T 4.25 -14.75 0.0 0 CLASS=AA SEQID=228 ATTCHORD=(4 227 Al 229 Br)
M  V30 229 C 5.75 -14.75 0.0 0 CLASS=AA SEQID=229 ATTCHORD=(6 228 Al 230 Br 6-
M  V30 80 Cx)
M  V30 230 P 7.25 -14.75 0.0 0 CLASS=AA SEQID=230 ATTCHORD=(4 229 Al 231 Br)
M  V30 231 P 8.75 -14.75 0.0 0 CLASS=AA SEQID=231 ATTCHORD=(4 230 Al 232 Br)
M  V30 232 C 10.25 -14.75 0.0 0 CLASS=AA SEQID=232 ATTCHORD=(6 231 Al 233 Br -
M  V30 683 Cx)
M  V30 233 P 11.75 -14.75 0.0 0 CLASS=AA SEQID=233 ATTCHORD=(4 232 Al 234 Br)
M  V30 234 A 13.25 -14.75 0.0 0 CLASS=AA SEQID=234 ATTCHORD=(4 233 Al 235 Br)
M  V30 235 P 14.75 -14.75 0.0 0 CLASS=AA SEQID=235 ATTCHORD=(4 234 Al 236 Br)
M  V30 236 E 16.25 -14.75 0.0 0 CLASS=AA SEQID=236 ATTCHORD=(4 235 Al 237 Br)
M  V30 237 L 17.75 -14.75 0.0 0 CLASS=AA SEQID=237 ATTCHORD=(4 236 Al 238 Br)
M  V30 238 L 19.25 -14.75 0.0 0 CLASS=AA SEQID=238 ATTCHORD=(4 237 Al 239 Br)
M  V30 239 G 20.75 -14.75 0.0 0 CLASS=AA SEQID=239 ATTCHORD=(4 238 Al 240 Br)
M  V30 240 G 22.25 -14.75 0.0 0 CLASS=AA SEQID=240 ATTCHORD=(4 239 Al 241 Br)
M  V30 241 P 23.75 -14.75 0.0 0 CLASS=AA SEQID=241 ATTCHORD=(4 240 Al 242 Br)
M  V30 242 S 25.25 -14.75 0.0 0 CLASS=AA SEQID=242 ATTCHORD=(4 241 Al 243 Br)
M  V30 243 V 26.75 -14.75 0.0 0 CLASS=AA SEQID=243 ATTCHORD=(4 242 Al 244 Br)
M  V30 244 F 28.25 -14.75 0.0 0 CLASS=AA SEQID=244 ATTCHORD=(4 243 Al 245 Br)
M  V30 245 L 29.75 -14.75 0.0 0 CLASS=AA SEQID=245 ATTCHORD=(4 244 Al 246 Br)
M  V30 246 F 31.25 -14.75 0.0 0 CLASS=AA SEQID=246 ATTCHORD=(4 245 Al 247 Br)
M  V30 247 P 32.75 -14.75 0.0 0 CLASS=AA SEQID=247 ATTCHORD=(4 246 Al 248 Br)
M  V30 248 P 34.25 -14.75 0.0 0 CLASS=AA SEQID=248 ATTCHORD=(4 247 Al 249 Br)
M  V30 249 K 35.75 -14.75 0.0 0 CLASS=AA SEQID=249 ATTCHORD=(4 248 Al 250 Br)
M  V30 250 P 37.25 -14.75 0.0 0 CLASS=AA SEQID=250 ATTCHORD=(4 249 Al 251 Br)
M  V30 251 K 1.25 -16.25 0.0 0 CLASS=AA SEQID=251 ATTCHORD=(4 250 Al 252 Br)
M  V30 252 D 2.75 -16.25 0.0 0 CLASS=AA SEQID=252 ATTCHORD=(4 251 Al 253 Br)
M  V30 253 T 4.25 -16.25 0.0 0 CLASS=AA SEQID=253 ATTCHORD=(4 252 Al 254 Br)
M  V30 254 L 5.75 -16.25 0.0 0 CLASS=AA SEQID=254 ATTCHORD=(4 253 Al 255 Br)
M  V30 255 M 7.25 -16.25 0.0 0 CLASS=AA SEQID=255 ATTCHORD=(4 254 Al 256 Br)
M  V30 256 I 8.75 -16.25 0.0 0 CLASS=AA SEQID=256 ATTCHORD=(4 255 Al 257 Br)
M  V30 257 S 10.25 -16.25 0.0 0 CLASS=AA SEQID=257 ATTCHORD=(4 256 Al 258 Br)
M  V30 258 R 11.75 -16.25 0.0 0 CLASS=AA SEQID=258 ATTCHORD=(4 257 Al 259 Br)
M  V30 259 T 13.25 -16.25 0.0 0 CLASS=AA SEQID=259 ATTCHORD=(4 258 Al 260 Br)
M  V30 260 P 14.75 -16.25 0.0 0 CLASS=AA SEQID=260 ATTCHORD=(4 259 Al 261 Br)
M  V30 261 E 16.25 -16.25 0.0 0 CLASS=AA SEQID=261 ATTCHORD=(4 260 Al 262 Br)
M  V30 262 V 17.75 -16.25 0.0 0 CLASS=AA SEQID=262 ATTCHORD=(4 261 Al 263 Br)
M  V30 263 T 19.25 -16.25 0.0 0 CLASS=AA SEQID=263 ATTCHORD=(4 262 Al 264 Br)
M  V30 264 C 20.75 -16.25 0.0 0 CLASS=AA SEQID=264 ATTCHORD=(6 263 Al 265 Br -
M  V30 324 Cx)
M  V30 265 V 22.25 -16.25 0.0 0 CLASS=AA SEQID=265 ATTCHORD=(4 264 Al 266 Br)
M  V30 266 V 23.75 -16.25 0.0 0 CLASS=AA SEQID=266 ATTCHORD=(4 265 Al 267 Br)
M  V30 267 V 25.25 -16.25 0.0 0 CLASS=AA SEQID=267 ATTCHORD=(4 266 Al 268 Br)
M  V30 268 D 26.75 -16.25 0.0 0 CLASS=AA SEQID=268 ATTCHORD=(4 267 Al 269 Br)
M  V30 269 V 28.25 -16.25 0.0 0 CLASS=AA SEQID=269 ATTCHORD=(4 268 Al 270 Br)
M  V30 270 S 29.75 -16.25 0.0 0 CLASS=AA SEQID=270 ATTCHORD=(4 269 Al 271 Br)
M  V30 271 H 31.25 -16.25 0.0 0 CLASS=AA SEQID=271 ATTCHORD=(4 270 Al 272 Br)
M  V30 272 E 32.75 -16.25 0.0 0 CLASS=AA SEQID=272 ATTCHORD=(4 271 Al 273 Br)
M  V30 273 D 34.25 -16.25 0.0 0 CLASS=AA SEQID=273 ATTCHORD=(4 272 Al 274 Br)
M  V30 274 P 35.75 -16.25 0.0 0 CLASS=AA SEQID=274 ATTCHORD=(4 273 Al 275 Br)
M  V30 275 E 37.25 -16.25 0.0 0 CLASS=AA SEQID=275 ATTCHORD=(4 274 Al 276 Br)
M  V30 276 V 1.25 -17.75 0.0 0 CLASS=AA SEQID=276 ATTCHORD=(4 275 Al 277 Br)
M  V30 277 K 2.75 -17.75 0.0 0 CLASS=AA SEQID=277 ATTCHORD=(4 276 Al 278 Br)
M  V30 278 F 4.25 -17.75 0.0 0 CLASS=AA SEQID=278 ATTCHORD=(4 277 Al 279 Br)
M  V30 279 N 5.75 -17.75 0.0 0 CLASS=AA SEQID=279 ATTCHORD=(4 278 Al 280 Br)
M  V30 280 W 7.25 -17.75 0.0 0 CLASS=AA SEQID=280 ATTCHORD=(4 279 Al 281 Br)
M  V30 281 Y 8.75 -17.75 0.0 0 CLASS=AA SEQID=281 ATTCHORD=(4 280 Al 282 Br)
M  V30 282 V 10.25 -17.75 0.0 0 CLASS=AA SEQID=282 ATTCHORD=(4 281 Al 283 Br)
M  V30 283 D 11.75 -17.75 0.0 0 CLASS=AA SEQID=283 ATTCHORD=(4 282 Al 284 Br)
M  V30 284 G 13.25 -17.75 0.0 0 CLASS=AA SEQID=284 ATTCHORD=(4 283 Al 285 Br)
M  V30 285 V 14.75 -17.75 0.0 0 CLASS=AA SEQID=285 ATTCHORD=(4 284 Al 286 Br)
M  V30 286 E 16.25 -17.75 0.0 0 CLASS=AA SEQID=286 ATTCHORD=(4 285 Al 287 Br)
M  V30 287 V 17.75 -17.75 0.0 0 CLASS=AA SEQID=287 ATTCHORD=(4 286 Al 288 Br)
M  V30 288 H 19.25 -17.75 0.0 0 CLASS=AA SEQID=288 ATTCHORD=(4 287 Al 289 Br)
M  V30 289 N 20.75 -17.75 0.0 0 CLASS=AA SEQID=289 ATTCHORD=(4 288 Al 290 Br)
M  V30 290 A 22.25 -17.75 0.0 0 CLASS=AA SEQID=290 ATTCHORD=(4 289 Al 291 Br)
M  V30 291 K 23.75 -17.75 0.0 0 CLASS=AA SEQID=291 ATTCHORD=(4 290 Al 292 Br)
M  V30 292 T 25.25 -17.75 0.0 0 CLASS=AA SEQID=292 ATTCHORD=(4 291 Al 293 Br)
M  V30 293 K 26.75 -17.75 0.0 0 CLASS=AA SEQID=293 ATTCHORD=(4 292 Al 294 Br)
M  V30 294 P 28.25 -17.75 0.0 0 CLASS=AA SEQID=294 ATTCHORD=(4 293 Al 295 Br)
M  V30 295 R 29.75 -17.75 0.0 0 CLASS=AA SEQID=295 ATTCHORD=(4 294 Al 296 Br)
M  V30 296 E 31.25 -17.75 0.0 0 CLASS=AA SEQID=296 ATTCHORD=(4 295 Al 297 Br)
M  V30 297 E 32.75 -17.75 0.0 0 CLASS=AA SEQID=297 ATTCHORD=(4 296 Al 298 Br)
M  V30 298 Q 34.25 -17.75 0.0 0 CLASS=AA SEQID=298 ATTCHORD=(4 297 Al 299 Br)
M  V30 299 Y 35.75 -17.75 0.0 0 CLASS=AA SEQID=299 ATTCHORD=(4 298 Al 300 Br)
M  V30 300 N 37.25 -17.75 0.0 0 CLASS=AA SEQID=300 ATTCHORD=(4 299 Al 301 Br)
M  V30 301 S 1.25 -19.25 0.0 0 CLASS=AA SEQID=301 ATTCHORD=(4 300 Al 302 Br)
M  V30 302 T 2.75 -19.25 0.0 0 CLASS=AA SEQID=302 ATTCHORD=(4 301 Al 303 Br)
M  V30 303 Y 4.25 -19.25 0.0 0 CLASS=AA SEQID=303 ATTCHORD=(4 302 Al 304 Br)
M  V30 304 R 5.75 -19.25 0.0 0 CLASS=AA SEQID=304 ATTCHORD=(4 303 Al 305 Br)
M  V30 305 V 7.25 -19.25 0.0 0 CLASS=AA SEQID=305 ATTCHORD=(4 304 Al 306 Br)
M  V30 306 V 8.75 -19.25 0.0 0 CLASS=AA SEQID=306 ATTCHORD=(4 305 Al 307 Br)
M  V30 307 S 10.25 -19.25 0.0 0 CLASS=AA SEQID=307 ATTCHORD=(4 306 Al 308 Br)
M  V30 308 V 11.75 -19.25 0.0 0 CLASS=AA SEQID=308 ATTCHORD=(4 307 Al 309 Br)
M  V30 309 L 13.25 -19.25 0.0 0 CLASS=AA SEQID=309 ATTCHORD=(4 308 Al 310 Br)
M  V30 310 T 14.75 -19.25 0.0 0 CLASS=AA SEQID=310 ATTCHORD=(4 309 Al 311 Br)
M  V30 311 V 16.25 -19.25 0.0 0 CLASS=AA SEQID=311 ATTCHORD=(4 310 Al 312 Br)
M  V30 312 L 17.75 -19.25 0.0 0 CLASS=AA SEQID=312 ATTCHORD=(4 311 Al 313 Br)
M  V30 313 H 19.25 -19.25 0.0 0 CLASS=AA SEQID=313 ATTCHORD=(4 312 Al 314 Br)
M  V30 314 Q 20.75 -19.25 0.0 0 CLASS=AA SEQID=314 ATTCHORD=(4 313 Al 315 Br)
M  V30 315 D 22.25 -19.25 0.0 0 CLASS=AA SEQID=315 ATTCHORD=(4 314 Al 316 Br)
M  V30 316 W 23.75 -19.25 0.0 0 CLASS=AA SEQID=316 ATTCHORD=(4 315 Al 317 Br)
M  V30 317 L 25.25 -19.25 0.0 0 CLASS=AA SEQID=317 ATTCHORD=(4 316 Al 318 Br)
M  V30 318 N 26.75 -19.25 0.0 0 CLASS=AA SEQID=318 ATTCHORD=(4 317 Al 319 Br)
M  V30 319 G 28.25 -19.25 0.0 0 CLASS=AA SEQID=319 ATTCHORD=(4 318 Al 320 Br)
M  V30 320 K 29.75 -19.25 0.0 0 CLASS=AA SEQID=320 ATTCHORD=(4 319 Al 321 Br)
M  V30 321 E 31.25 -19.25 0.0 0 CLASS=AA SEQID=321 ATTCHORD=(4 320 Al 322 Br)
M  V30 322 Y 32.75 -19.25 0.0 0 CLASS=AA SEQID=322 ATTCHORD=(4 321 Al 323 Br)
M  V30 323 K 34.25 -19.25 0.0 0 CLASS=AA SEQID=323 ATTCHORD=(4 322 Al 324 Br)
M  V30 324 C 35.75 -19.25 0.0 0 CLASS=AA SEQID=324 ATTCHORD=(6 323 Al 325 Br -
M  V30 264 Cx)
M  V30 325 K 37.25 -19.25 0.0 0 CLASS=AA SEQID=325 ATTCHORD=(4 324 Al 326 Br)
M  V30 326 V 1.25 -20.75 0.0 0 CLASS=AA SEQID=326 ATTCHORD=(4 325 Al 327 Br)
M  V30 327 S 2.75 -20.75 0.0 0 CLASS=AA SEQID=327 ATTCHORD=(4 326 Al 328 Br)
M  V30 328 N 4.25 -20.75 0.0 0 CLASS=AA SEQID=328 ATTCHORD=(4 327 Al 329 Br)
M  V30 329 K 5.75 -20.75 0.0 0 CLASS=AA SEQID=329 ATTCHORD=(4 328 Al 330 Br)
M  V30 330 A 7.25 -20.75 0.0 0 CLASS=AA SEQID=330 ATTCHORD=(4 329 Al 331 Br)
M  V30 331 L 8.75 -20.75 0.0 0 CLASS=AA SEQID=331 ATTCHORD=(4 330 Al 332 Br)
M  V30 332 P 10.25 -20.75 0.0 0 CLASS=AA SEQID=332 ATTCHORD=(4 331 Al 333 Br)
M  V30 333 A 11.75 -20.75 0.0 0 CLASS=AA SEQID=333 ATTCHORD=(4 332 Al 334 Br)
M  V30 334 P 13.25 -20.75 0.0 0 CLASS=AA SEQID=334 ATTCHORD=(4 333 Al 335 Br)
M  V30 335 I 14.75 -20.75 0.0 0 CLASS=AA SEQID=335 ATTCHORD=(4 334 Al 336 Br)
M  V30 336 E 16.25 -20.75 0.0 0 CLASS=AA SEQID=336 ATTCHORD=(4 335 Al 337 Br)
M  V30 337 K 17.75 -20.75 0.0 0 CLASS=AA SEQID=337 ATTCHORD=(4 336 Al 338 Br)
M  V30 338 T 19.25 -20.75 0.0 0 CLASS=AA SEQID=338 ATTCHORD=(4 337 Al 339 Br)
M  V30 339 I 20.75 -20.75 0.0 0 CLASS=AA SEQID=339 ATTCHORD=(4 338 Al 340 Br)
M  V30 340 S 22.25 -20.75 0.0 0 CLASS=AA SEQID=340 ATTCHORD=(4 339 Al 341 Br)
M  V30 341 K 23.75 -20.75 0.0 0 CLASS=AA SEQID=341 ATTCHORD=(4 340 Al 342 Br)
M  V30 342 A 25.25 -20.75 0.0 0 CLASS=AA SEQID=342 ATTCHORD=(4 341 Al 343 Br)
M  V30 343 K 26.75 -20.75 0.0 0 CLASS=AA SEQID=343 ATTCHORD=(4 342 Al 344 Br)
M  V30 344 G 28.25 -20.75 0.0 0 CLASS=AA SEQID=344 ATTCHORD=(4 343 Al 345 Br)
M  V30 345 Q 29.75 -20.75 0.0 0 CLASS=AA SEQID=345 ATTCHORD=(4 344 Al 346 Br)
M  V30 346 P 31.25 -20.75 0.0 0 CLASS=AA SEQID=346 ATTCHORD=(4 345 Al 347 Br)
M  V30 347 R 32.75 -20.75 0.0 0 CLASS=AA SEQID=347 ATTCHORD=(4 346 Al 348 Br)
M  V30 348 E 34.25 -20.75 0.0 0 CLASS=AA SEQID=348 ATTCHORD=(4 347 Al 349 Br)
M  V30 349 P 35.75 -20.75 0.0 0 CLASS=AA SEQID=349 ATTCHORD=(4 348 Al 350 Br)
M  V30 350 Q 37.25 -20.75 0.0 0 CLASS=AA SEQID=350 ATTCHORD=(4 349 Al 351 Br)
M  V30 351 V 1.25 -22.25 0.0 0 CLASS=AA SEQID=351 ATTCHORD=(4 350 Al 352 Br)
M  V30 352 Y 2.75 -22.25 0.0 0 CLASS=AA SEQID=352 ATTCHORD=(4 351 Al 353 Br)
M  V30 353 T 4.25 -22.25 0.0 0 CLASS=AA SEQID=353 ATTCHORD=(4 352 Al 354 Br)
M  V30 354 L 5.75 -22.25 0.0 0 CLASS=AA SEQID=354 ATTCHORD=(4 353 Al 355 Br)
M  V30 355 P 7.25 -22.25 0.0 0 CLASS=AA SEQID=355 ATTCHORD=(4 354 Al 356 Br)
M  V30 356 P 8.75 -22.25 0.0 0 CLASS=AA SEQID=356 ATTCHORD=(4 355 Al 357 Br)
M  V30 357 S 10.25 -22.25 0.0 0 CLASS=AA SEQID=357 ATTCHORD=(4 356 Al 358 Br)
M  V30 358 R 11.75 -22.25 0.0 0 CLASS=AA SEQID=358 ATTCHORD=(4 357 Al 359 Br)
M  V30 359 E 13.25 -22.25 0.0 0 CLASS=AA SEQID=359 ATTCHORD=(4 358 Al 360 Br)
M  V30 360 E 14.75 -22.25 0.0 0 CLASS=AA SEQID=360 ATTCHORD=(4 359 Al 361 Br)
M  V30 361 M 16.25 -22.25 0.0 0 CLASS=AA SEQID=361 ATTCHORD=(4 360 Al 362 Br)
M  V30 362 T 17.75 -22.25 0.0 0 CLASS=AA SEQID=362 ATTCHORD=(4 361 Al 363 Br)
M  V30 363 K 19.25 -22.25 0.0 0 CLASS=AA SEQID=363 ATTCHORD=(4 362 Al 364 Br)
M  V30 364 N 20.75 -22.25 0.0 0 CLASS=AA SEQID=364 ATTCHORD=(4 363 Al 365 Br)
M  V30 365 Q 22.25 -22.25 0.0 0 CLASS=AA SEQID=365 ATTCHORD=(4 364 Al 366 Br)
M  V30 366 V 23.75 -22.25 0.0 0 CLASS=AA SEQID=366 ATTCHORD=(4 365 Al 367 Br)
M  V30 367 S 25.25 -22.25 0.0 0 CLASS=AA SEQID=367 ATTCHORD=(4 366 Al 368 Br)
M  V30 368 L 26.75 -22.25 0.0 0 CLASS=AA SEQID=368 ATTCHORD=(4 367 Al 369 Br)
M  V30 369 T 28.25 -22.25 0.0 0 CLASS=AA SEQID=369 ATTCHORD=(4 368 Al 370 Br)
M  V30 370 C 29.75 -22.25 0.0 0 CLASS=AA SEQID=370 ATTCHORD=(4 369 Al 371 Br)
M  V30 371 L 31.25 -22.25 0.0 0 CLASS=AA SEQID=371 ATTCHORD=(4 370 Al 372 Br)
M  V30 372 V 32.75 -22.25 0.0 0 CLASS=AA SEQID=372 ATTCHORD=(4 371 Al 373 Br)
M  V30 373 K 34.25 -22.25 0.0 0 CLASS=AA SEQID=373 ATTCHORD=(4 372 Al 374 Br)
M  V30 374 G 35.75 -22.25 0.0 0 CLASS=AA SEQID=374 ATTCHORD=(4 373 Al 375 Br)
M  V30 375 F 37.25 -22.25 0.0 0 CLASS=AA SEQID=375 ATTCHORD=(4 374 Al 376 Br)
M  V30 376 Y 1.25 -23.75 0.0 0 CLASS=AA SEQID=376 ATTCHORD=(4 375 Al 377 Br)
M  V30 377 P 2.75 -23.75 0.0 0 CLASS=AA SEQID=377 ATTCHORD=(4 376 Al 378 Br)
M  V30 378 S 4.25 -23.75 0.0 0 CLASS=AA SEQID=378 ATTCHORD=(4 377 Al 379 Br)
M  V30 379 D 5.75 -23.75 0.0 0 CLASS=AA SEQID=379 ATTCHORD=(4 378 Al 380 Br)
M  V30 380 I 7.25 -23.75 0.0 0 CLASS=AA SEQID=380 ATTCHORD=(4 379 Al 381 Br)
M  V30 381 A 8.75 -23.75 0.0 0 CLASS=AA SEQID=381 ATTCHORD=(4 380 Al 382 Br)
M  V30 382 V 10.25 -23.75 0.0 0 CLASS=AA SEQID=382 ATTCHORD=(4 381 Al 383 Br)
M  V30 383 E 11.75 -23.75 0.0 0 CLASS=AA SEQID=383 ATTCHORD=(4 382 Al 384 Br)
M  V30 384 W 13.25 -23.75 0.0 0 CLASS=AA SEQID=384 ATTCHORD=(4 383 Al 385 Br)
M  V30 385 E 14.75 -23.75 0.0 0 CLASS=AA SEQID=385 ATTCHORD=(4 384 Al 386 Br)
M  V30 386 S 16.25 -23.75 0.0 0 CLASS=AA SEQID=386 ATTCHORD=(4 385 Al 387 Br)
M  V30 387 N 17.75 -23.75 0.0 0 CLASS=AA SEQID=387 ATTCHORD=(4 386 Al 388 Br)
M  V30 388 G 19.25 -23.75 0.0 0 CLASS=AA SEQID=388 ATTCHORD=(4 387 Al 389 Br)
M  V30 389 Q 20.75 -23.75 0.0 0 CLASS=AA SEQID=389 ATTCHORD=(4 388 Al 390 Br)
M  V30 390 P 22.25 -23.75 0.0 0 CLASS=AA SEQID=390 ATTCHORD=(4 389 Al 391 Br)
M  V30 391 E 23.75 -23.75 0.0 0 CLASS=AA SEQID=391 ATTCHORD=(4 390 Al 392 Br)
M  V30 392 N 25.25 -23.75 0.0 0 CLASS=AA SEQID=392 ATTCHORD=(4 391 Al 393 Br)
M  V30 393 N 26.75 -23.75 0.0 0 CLASS=AA SEQID=393 ATTCHORD=(4 392 Al 394 Br)
M  V30 394 Y 28.25 -23.75 0.0 0 CLASS=AA SEQID=394 ATTCHORD=(4 393 Al 395 Br)
M  V30 395 K 29.75 -23.75 0.0 0 CLASS=AA SEQID=395 ATTCHORD=(4 394 Al 396 Br)
M  V30 396 T 31.25 -23.75 0.0 0 CLASS=AA SEQID=396 ATTCHORD=(4 395 Al 397 Br)
M  V30 397 T 32.75 -23.75 0.0 0 CLASS=AA SEQID=397 ATTCHORD=(2 396 Al)
M  V30 398 D 1.25 -25.25 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 399 Br)
M  V30 399 I 2.75 -25.25 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 398 Al 400 Br)
M  V30 400 Q 4.25 -25.25 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 399 Al 401 Br)
M  V30 401 M 5.75 -25.25 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 400 Al 402 Br)
M  V30 402 T 7.25 -25.25 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 401 Al 403 Br)
M  V30 403 Q 8.75 -25.25 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 402 Al 404 Br)
M  V30 404 S 10.25 -25.25 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 403 Al 405 Br)
M  V30 405 P 11.75 -25.25 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 404 Al 406 Br)
M  V30 406 S 13.25 -25.25 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 405 Al 407 Br)
M  V30 407 S 14.75 -25.25 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 406 Al 408 Br)
M  V30 408 L 16.25 -25.25 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 407 Al 409 Br)
M  V30 409 S 17.75 -25.25 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 408 Al 410 Br)
M  V30 410 A 19.25 -25.25 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 409 Al 411 Br)
M  V30 411 S 20.75 -25.25 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 410 Al 412 Br)
M  V30 412 V 22.25 -25.25 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 411 Al 413 Br)
M  V30 413 G 23.75 -25.25 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 412 Al 414 Br)
M  V30 414 D 25.25 -25.25 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 413 Al 415 Br)
M  V30 415 R 26.75 -25.25 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 414 Al 416 Br)
M  V30 416 V 28.25 -25.25 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 415 Al 417 Br)
M  V30 417 T 29.75 -25.25 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 416 Al 418 Br)
M  V30 418 I 31.25 -25.25 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 417 Al 419 Br)
M  V30 419 T 32.75 -25.25 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 418 Al 420 Br)
M  V30 420 C 34.25 -25.25 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(6 419 Al 421 Br 4-
M  V30 85 Cx)
M  V30 421 R 35.75 -25.25 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 420 Al 422 Br)
M  V30 422 A 37.25 -25.25 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 421 Al 423 Br)
M  V30 423 S 1.25 -26.75 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 422 Al 424 Br)
M  V30 424 Q 2.75 -26.75 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 423 Al 425 Br)
M  V30 425 D 4.25 -26.75 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 424 Al 426 Br)
M  V30 426 V 5.75 -26.75 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 425 Al 427 Br)
M  V30 427 N 7.25 -26.75 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 426 Al 428 Br)
M  V30 428 T 8.75 -26.75 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 427 Al 429 Br)
M  V30 429 A 10.25 -26.75 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 428 Al 430 Br)
M  V30 430 V 11.75 -26.75 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 429 Al 431 Br)
M  V30 431 A 13.25 -26.75 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 430 Al 432 Br)
M  V30 432 W 14.75 -26.75 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 431 Al 433 Br)
M  V30 433 Y 16.25 -26.75 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 432 Al 434 Br)
M  V30 434 Q 17.75 -26.75 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 433 Al 435 Br)
M  V30 435 Q 19.25 -26.75 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 434 Al 436 Br)
M  V30 436 K 20.75 -26.75 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 435 Al 437 Br)
M  V30 437 P 22.25 -26.75 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 436 Al 438 Br)
M  V30 438 G 23.75 -26.75 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 437 Al 439 Br)
M  V30 439 K 25.25 -26.75 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 438 Al 440 Br)
M  V30 440 A 26.75 -26.75 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 439 Al 441 Br)
M  V30 441 P 28.25 -26.75 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 440 Al 442 Br)
M  V30 442 K 29.75 -26.75 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 441 Al 443 Br)
M  V30 443 L 31.25 -26.75 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 442 Al 444 Br)
M  V30 444 L 32.75 -26.75 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 443 Al 445 Br)
M  V30 445 I 34.25 -26.75 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 444 Al 446 Br)
M  V30 446 Y 35.75 -26.75 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 445 Al 447 Br)
M  V30 447 S 37.25 -26.75 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 446 Al 448 Br)
M  V30 448 A 1.25 -28.25 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 447 Al 449 Br)
M  V30 449 S 2.75 -28.25 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 448 Al 450 Br)
M  V30 450 F 4.25 -28.25 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 449 Al 451 Br)
M  V30 451 L 5.75 -28.25 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 450 Al 452 Br)
M  V30 452 Y 7.25 -28.25 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 451 Al 453 Br)
M  V30 453 S 8.75 -28.25 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 452 Al 454 Br)
M  V30 454 G 10.25 -28.25 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 453 Al 455 Br)
M  V30 455 V 11.75 -28.25 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 454 Al 456 Br)
M  V30 456 P 13.25 -28.25 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 455 Al 457 Br)
M  V30 457 S 14.75 -28.25 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 456 Al 458 Br)
M  V30 458 R 16.25 -28.25 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 457 Al 459 Br)
M  V30 459 F 17.75 -28.25 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 458 Al 460 Br)
M  V30 460 S 19.25 -28.25 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(4 459 Al 461 Br)
M  V30 461 G 20.75 -28.25 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 460 Al 462 Br)
M  V30 462 S 22.25 -28.25 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 461 Al 463 Br)
M  V30 463 R 23.75 -28.25 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 462 Al 464 Br)
M  V30 464 S 25.25 -28.25 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 463 Al 465 Br)
M  V30 465 G 26.75 -28.25 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 464 Al 466 Br)
M  V30 466 T 28.25 -28.25 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 465 Al 467 Br)
M  V30 467 D 29.75 -28.25 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 466 Al 468 Br)
M  V30 468 F 31.25 -28.25 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 467 Al 469 Br)
M  V30 469 T 32.75 -28.25 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 468 Al 470 Br)
M  V30 470 L 34.25 -28.25 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 469 Al 471 Br)
M  V30 471 T 35.75 -28.25 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 470 Al 472 Br)
M  V30 472 I 37.25 -28.25 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 471 Al 473 Br)
M  V30 473 S 1.25 -29.75 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 472 Al 474 Br)
M  V30 474 S 2.75 -29.75 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 473 Al 475 Br)
M  V30 475 L 4.25 -29.75 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 474 Al 476 Br)
M  V30 476 Q 5.75 -29.75 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 475 Al 477 Br)
M  V30 477 P 7.25 -29.75 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 476 Al 478 Br)
M  V30 478 E 8.75 -29.75 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 477 Al 479 Br)
M  V30 479 D 10.25 -29.75 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 478 Al 480 Br)
M  V30 480 F 11.75 -29.75 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(4 479 Al 481 Br)
M  V30 481 A 13.25 -29.75 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 480 Al 482 Br)
M  V30 482 T 14.75 -29.75 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 481 Al 483 Br)
M  V30 483 Y 16.25 -29.75 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 482 Al 484 Br)
M  V30 484 Y 17.75 -29.75 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 483 Al 485 Br)
M  V30 485 C 19.25 -29.75 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(6 484 Al 486 Br 4-
M  V30 20 Cx)
M  V30 486 Q 20.75 -29.75 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(4 485 Al 487 Br)
M  V30 487 Q 22.25 -29.75 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 486 Al 488 Br)
M  V30 488 H 23.75 -29.75 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 487 Al 489 Br)
M  V30 489 Y 25.25 -29.75 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(4 488 Al 490 Br)
M  V30 490 T 26.75 -29.75 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 489 Al 491 Br)
M  V30 491 T 28.25 -29.75 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 490 Al 492 Br)
M  V30 492 P 29.75 -29.75 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 491 Al 493 Br)
M  V30 493 P 31.25 -29.75 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(4 492 Al 494 Br)
M  V30 494 T 32.75 -29.75 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 493 Al 495 Br)
M  V30 495 F 34.25 -29.75 0.0 0 CLASS=AA SEQID=98 ATTCHORD=(4 494 Al 496 Br)
M  V30 496 G 35.75 -29.75 0.0 0 CLASS=AA SEQID=99 ATTCHORD=(4 495 Al 497 Br)
M  V30 497 Q 37.25 -29.75 0.0 0 CLASS=AA SEQID=100 ATTCHORD=(4 496 Al 498 Br)
M  V30 498 G 1.25 -31.25 0.0 0 CLASS=AA SEQID=101 ATTCHORD=(4 497 Al 499 Br)
M  V30 499 T 2.75 -31.25 0.0 0 CLASS=AA SEQID=102 ATTCHORD=(4 498 Al 500 Br)
M  V30 500 K 4.25 -31.25 0.0 0 CLASS=AA SEQID=103 ATTCHORD=(4 499 Al 501 Br)
M  V30 501 V 5.75 -31.25 0.0 0 CLASS=AA SEQID=104 ATTCHORD=(4 500 Al 502 Br)
M  V30 502 E 7.25 -31.25 0.0 0 CLASS=AA SEQID=105 ATTCHORD=(4 501 Al 503 Br)
M  V30 503 I 8.75 -31.25 0.0 0 CLASS=AA SEQID=106 ATTCHORD=(4 502 Al 504 Br)
M  V30 504 K 10.25 -31.25 0.0 0 CLASS=AA SEQID=107 ATTCHORD=(4 503 Al 505 Br)
M  V30 505 R 11.75 -31.25 0.0 0 CLASS=AA SEQID=108 ATTCHORD=(4 504 Al 506 Br)
M  V30 506 T 13.25 -31.25 0.0 0 CLASS=AA SEQID=109 ATTCHORD=(4 505 Al 507 Br)
M  V30 507 V 14.75 -31.25 0.0 0 CLASS=AA SEQID=110 ATTCHORD=(4 506 Al 508 Br)
M  V30 508 A 16.25 -31.25 0.0 0 CLASS=AA SEQID=111 ATTCHORD=(4 507 Al 509 Br)
M  V30 509 A 17.75 -31.25 0.0 0 CLASS=AA SEQID=112 ATTCHORD=(4 508 Al 510 Br)
M  V30 510 P 19.25 -31.25 0.0 0 CLASS=AA SEQID=113 ATTCHORD=(4 509 Al 511 Br)
M  V30 511 S 20.75 -31.25 0.0 0 CLASS=AA SEQID=114 ATTCHORD=(4 510 Al 512 Br)
M  V30 512 V 22.25 -31.25 0.0 0 CLASS=AA SEQID=115 ATTCHORD=(4 511 Al 513 Br)
M  V30 513 F 23.75 -31.25 0.0 0 CLASS=AA SEQID=116 ATTCHORD=(4 512 Al 514 Br)
M  V30 514 I 25.25 -31.25 0.0 0 CLASS=AA SEQID=117 ATTCHORD=(4 513 Al 515 Br)
M  V30 515 F 26.75 -31.25 0.0 0 CLASS=AA SEQID=118 ATTCHORD=(4 514 Al 516 Br)
M  V30 516 P 28.25 -31.25 0.0 0 CLASS=AA SEQID=119 ATTCHORD=(4 515 Al 517 Br)
M  V30 517 P 29.75 -31.25 0.0 0 CLASS=AA SEQID=120 ATTCHORD=(4 516 Al 518 Br)
M  V30 518 S 31.25 -31.25 0.0 0 CLASS=AA SEQID=121 ATTCHORD=(4 517 Al 519 Br)
M  V30 519 D 32.75 -31.25 0.0 0 CLASS=AA SEQID=122 ATTCHORD=(4 518 Al 520 Br)
M  V30 520 E 34.25 -31.25 0.0 0 CLASS=AA SEQID=123 ATTCHORD=(4 519 Al 521 Br)
M  V30 521 Q 35.75 -31.25 0.0 0 CLASS=AA SEQID=124 ATTCHORD=(4 520 Al 522 Br)
M  V30 522 L 37.25 -31.25 0.0 0 CLASS=AA SEQID=125 ATTCHORD=(4 521 Al 523 Br)
M  V30 523 K 1.25 -32.75 0.0 0 CLASS=AA SEQID=126 ATTCHORD=(4 522 Al 524 Br)
M  V30 524 S 2.75 -32.75 0.0 0 CLASS=AA SEQID=127 ATTCHORD=(4 523 Al 525 Br)
M  V30 525 G 4.25 -32.75 0.0 0 CLASS=AA SEQID=128 ATTCHORD=(4 524 Al 526 Br)
M  V30 526 T 5.75 -32.75 0.0 0 CLASS=AA SEQID=129 ATTCHORD=(4 525 Al 527 Br)
M  V30 527 A 7.25 -32.75 0.0 0 CLASS=AA SEQID=130 ATTCHORD=(4 526 Al 528 Br)
M  V30 528 S 8.75 -32.75 0.0 0 CLASS=AA SEQID=131 ATTCHORD=(4 527 Al 529 Br)
M  V30 529 V 10.25 -32.75 0.0 0 CLASS=AA SEQID=132 ATTCHORD=(4 528 Al 530 Br)
M  V30 530 V 11.75 -32.75 0.0 0 CLASS=AA SEQID=133 ATTCHORD=(4 529 Al 531 Br)
M  V30 531 C 13.25 -32.75 0.0 0 CLASS=AA SEQID=134 ATTCHORD=(6 530 Al 532 Br -
M  V30 591 Cx)
M  V30 532 L 14.75 -32.75 0.0 0 CLASS=AA SEQID=135 ATTCHORD=(4 531 Al 533 Br)
M  V30 533 L 16.25 -32.75 0.0 0 CLASS=AA SEQID=136 ATTCHORD=(4 532 Al 534 Br)
M  V30 534 N 17.75 -32.75 0.0 0 CLASS=AA SEQID=137 ATTCHORD=(4 533 Al 535 Br)
M  V30 535 N 19.25 -32.75 0.0 0 CLASS=AA SEQID=138 ATTCHORD=(4 534 Al 536 Br)
M  V30 536 F 20.75 -32.75 0.0 0 CLASS=AA SEQID=139 ATTCHORD=(4 535 Al 537 Br)
M  V30 537 Y 22.25 -32.75 0.0 0 CLASS=AA SEQID=140 ATTCHORD=(4 536 Al 538 Br)
M  V30 538 P 23.75 -32.75 0.0 0 CLASS=AA SEQID=141 ATTCHORD=(4 537 Al 539 Br)
M  V30 539 R 25.25 -32.75 0.0 0 CLASS=AA SEQID=142 ATTCHORD=(4 538 Al 540 Br)
M  V30 540 E 26.75 -32.75 0.0 0 CLASS=AA SEQID=143 ATTCHORD=(4 539 Al 541 Br)
M  V30 541 A 28.25 -32.75 0.0 0 CLASS=AA SEQID=144 ATTCHORD=(4 540 Al 542 Br)
M  V30 542 K 29.75 -32.75 0.0 0 CLASS=AA SEQID=145 ATTCHORD=(4 541 Al 543 Br)
M  V30 543 V 31.25 -32.75 0.0 0 CLASS=AA SEQID=146 ATTCHORD=(4 542 Al 544 Br)
M  V30 544 Q 32.75 -32.75 0.0 0 CLASS=AA SEQID=147 ATTCHORD=(4 543 Al 545 Br)
M  V30 545 W 34.25 -32.75 0.0 0 CLASS=AA SEQID=148 ATTCHORD=(4 544 Al 546 Br)
M  V30 546 K 35.75 -32.75 0.0 0 CLASS=AA SEQID=149 ATTCHORD=(4 545 Al 547 Br)
M  V30 547 V 37.25 -32.75 0.0 0 CLASS=AA SEQID=150 ATTCHORD=(4 546 Al 548 Br)
M  V30 548 D 1.25 -34.25 0.0 0 CLASS=AA SEQID=151 ATTCHORD=(4 547 Al 549 Br)
M  V30 549 N 2.75 -34.25 0.0 0 CLASS=AA SEQID=152 ATTCHORD=(4 548 Al 550 Br)
M  V30 550 A 4.25 -34.25 0.0 0 CLASS=AA SEQID=153 ATTCHORD=(4 549 Al 551 Br)
M  V30 551 L 5.75 -34.25 0.0 0 CLASS=AA SEQID=154 ATTCHORD=(4 550 Al 552 Br)
M  V30 552 Q 7.25 -34.25 0.0 0 CLASS=AA SEQID=155 ATTCHORD=(4 551 Al 553 Br)
M  V30 553 S 8.75 -34.25 0.0 0 CLASS=AA SEQID=156 ATTCHORD=(4 552 Al 554 Br)
M  V30 554 G 10.25 -34.25 0.0 0 CLASS=AA SEQID=157 ATTCHORD=(4 553 Al 555 Br)
M  V30 555 N 11.75 -34.25 0.0 0 CLASS=AA SEQID=158 ATTCHORD=(4 554 Al 556 Br)
M  V30 556 S 13.25 -34.25 0.0 0 CLASS=AA SEQID=159 ATTCHORD=(4 555 Al 557 Br)
M  V30 557 Q 14.75 -34.25 0.0 0 CLASS=AA SEQID=160 ATTCHORD=(4 556 Al 558 Br)
M  V30 558 E 16.25 -34.25 0.0 0 CLASS=AA SEQID=161 ATTCHORD=(4 557 Al 559 Br)
M  V30 559 S 17.75 -34.25 0.0 0 CLASS=AA SEQID=162 ATTCHORD=(4 558 Al 560 Br)
M  V30 560 V 19.25 -34.25 0.0 0 CLASS=AA SEQID=163 ATTCHORD=(4 559 Al 561 Br)
M  V30 561 T 20.75 -34.25 0.0 0 CLASS=AA SEQID=164 ATTCHORD=(4 560 Al 562 Br)
M  V30 562 E 22.25 -34.25 0.0 0 CLASS=AA SEQID=165 ATTCHORD=(4 561 Al 563 Br)
M  V30 563 Q 23.75 -34.25 0.0 0 CLASS=AA SEQID=166 ATTCHORD=(4 562 Al 564 Br)
M  V30 564 D 25.25 -34.25 0.0 0 CLASS=AA SEQID=167 ATTCHORD=(4 563 Al 565 Br)
M  V30 565 S 26.75 -34.25 0.0 0 CLASS=AA SEQID=168 ATTCHORD=(4 564 Al 566 Br)
M  V30 566 K 28.25 -34.25 0.0 0 CLASS=AA SEQID=169 ATTCHORD=(4 565 Al 567 Br)
M  V30 567 D 29.75 -34.25 0.0 0 CLASS=AA SEQID=170 ATTCHORD=(4 566 Al 568 Br)
M  V30 568 S 31.25 -34.25 0.0 0 CLASS=AA SEQID=171 ATTCHORD=(4 567 Al 569 Br)
M  V30 569 T 32.75 -34.25 0.0 0 CLASS=AA SEQID=172 ATTCHORD=(4 568 Al 570 Br)
M  V30 570 Y 34.25 -34.25 0.0 0 CLASS=AA SEQID=173 ATTCHORD=(4 569 Al 571 Br)
M  V30 571 S 35.75 -34.25 0.0 0 CLASS=AA SEQID=174 ATTCHORD=(4 570 Al 572 Br)
M  V30 572 L 37.25 -34.25 0.0 0 CLASS=AA SEQID=175 ATTCHORD=(4 571 Al 573 Br)
M  V30 573 S 1.25 -35.75 0.0 0 CLASS=AA SEQID=176 ATTCHORD=(4 572 Al 574 Br)
M  V30 574 S 2.75 -35.75 0.0 0 CLASS=AA SEQID=177 ATTCHORD=(4 573 Al 575 Br)
M  V30 575 T 4.25 -35.75 0.0 0 CLASS=AA SEQID=178 ATTCHORD=(4 574 Al 576 Br)
M  V30 576 L 5.75 -35.75 0.0 0 CLASS=AA SEQID=179 ATTCHORD=(4 575 Al 577 Br)
M  V30 577 T 7.25 -35.75 0.0 0 CLASS=AA SEQID=180 ATTCHORD=(4 576 Al 578 Br)
M  V30 578 L 8.75 -35.75 0.0 0 CLASS=AA SEQID=181 ATTCHORD=(4 577 Al 579 Br)
M  V30 579 S 10.25 -35.75 0.0 0 CLASS=AA SEQID=182 ATTCHORD=(4 578 Al 580 Br)
M  V30 580 K 11.75 -35.75 0.0 0 CLASS=AA SEQID=183 ATTCHORD=(4 579 Al 581 Br)
M  V30 581 A 13.25 -35.75 0.0 0 CLASS=AA SEQID=184 ATTCHORD=(4 580 Al 582 Br)
M  V30 582 D 14.75 -35.75 0.0 0 CLASS=AA SEQID=185 ATTCHORD=(4 581 Al 583 Br)
M  V30 583 Y 16.25 -35.75 0.0 0 CLASS=AA SEQID=186 ATTCHORD=(4 582 Al 584 Br)
M  V30 584 E 17.75 -35.75 0.0 0 CLASS=AA SEQID=187 ATTCHORD=(4 583 Al 585 Br)
M  V30 585 K 19.25 -35.75 0.0 0 CLASS=AA SEQID=188 ATTCHORD=(4 584 Al 586 Br)
M  V30 586 H 20.75 -35.75 0.0 0 CLASS=AA SEQID=189 ATTCHORD=(4 585 Al 587 Br)
M  V30 587 K 22.25 -35.75 0.0 0 CLASS=AA SEQID=190 ATTCHORD=(4 586 Al 588 Br)
M  V30 588 V 23.75 -35.75 0.0 0 CLASS=AA SEQID=191 ATTCHORD=(4 587 Al 589 Br)
M  V30 589 Y 25.25 -35.75 0.0 0 CLASS=AA SEQID=192 ATTCHORD=(4 588 Al 590 Br)
M  V30 590 A 26.75 -35.75 0.0 0 CLASS=AA SEQID=193 ATTCHORD=(4 589 Al 591 Br)
M  V30 591 C 28.25 -35.75 0.0 0 CLASS=AA SEQID=194 ATTCHORD=(6 590 Al 592 Br -
M  V30 531 Cx)
M  V30 592 E 29.75 -35.75 0.0 0 CLASS=AA SEQID=195 ATTCHORD=(4 591 Al 593 Br)
M  V30 593 V 31.25 -35.75 0.0 0 CLASS=AA SEQID=196 ATTCHORD=(4 592 Al 594 Br)
M  V30 594 T 32.75 -35.75 0.0 0 CLASS=AA SEQID=197 ATTCHORD=(4 593 Al 595 Br)
M  V30 595 H 34.25 -35.75 0.0 0 CLASS=AA SEQID=198 ATTCHORD=(4 594 Al 596 Br)
M  V30 596 Q 35.75 -35.75 0.0 0 CLASS=AA SEQID=199 ATTCHORD=(4 595 Al 597 Br)
M  V30 597 G 37.25 -35.75 0.0 0 CLASS=AA SEQID=200 ATTCHORD=(4 596 Al 598 Br)
M  V30 598 L 1.25 -37.25 0.0 0 CLASS=AA SEQID=201 ATTCHORD=(4 597 Al 599 Br)
M  V30 599 S 2.75 -37.25 0.0 0 CLASS=AA SEQID=202 ATTCHORD=(4 598 Al 600 Br)
M  V30 600 S 4.25 -37.25 0.0 0 CLASS=AA SEQID=203 ATTCHORD=(4 599 Al 601 Br)
M  V30 601 P 5.75 -37.25 0.0 0 CLASS=AA SEQID=204 ATTCHORD=(4 600 Al 602 Br)
M  V30 602 V 7.25 -37.25 0.0 0 CLASS=AA SEQID=205 ATTCHORD=(4 601 Al 603 Br)
M  V30 603 T 8.75 -37.25 0.0 0 CLASS=AA SEQID=206 ATTCHORD=(4 602 Al 604 Br)
M  V30 604 K 10.25 -37.25 0.0 0 CLASS=AA SEQID=207 ATTCHORD=(4 603 Al 605 Br)
M  V30 605 S 11.75 -37.25 0.0 0 CLASS=AA SEQID=208 ATTCHORD=(4 604 Al 606 Br)
M  V30 606 F 13.25 -37.25 0.0 0 CLASS=AA SEQID=209 ATTCHORD=(4 605 Al 607 Br)
M  V30 607 N 14.75 -37.25 0.0 0 CLASS=AA SEQID=210 ATTCHORD=(4 606 Al 608 Br)
M  V30 608 R 16.25 -37.25 0.0 0 CLASS=AA SEQID=211 ATTCHORD=(4 607 Al 609 Br)
M  V30 609 G 17.75 -37.25 0.0 0 CLASS=AA SEQID=212 ATTCHORD=(4 608 Al 610 Br)
M  V30 610 E 19.25 -37.25 0.0 0 CLASS=AA SEQID=213 ATTCHORD=(4 609 Al 611 Br)
M  V30 611 C 20.75 -37.25 0.0 0 CLASS=AA SEQID=214 ATTCHORD=(4 610 Al 223 Cx)
M  V30 612 W 31.25 -38.75 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 613 Br 910 Al)
M  V30 613 N 32.75 -38.75 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 612 Al 614 Br)
M  V30 614 S 34.25 -38.75 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(4 613 Al 615 Br)
M  V30 615 G 35.75 -38.75 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 614 Al 616 Br)
M  V30 616 A 37.25 -38.75 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 615 Al 617 Br)
M  V30 617 L 1.25 -40.25 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 616 Al 618 Br)
M  V30 618 T 2.75 -40.25 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 617 Al 619 Br)
M  V30 619 S 4.25 -40.25 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 618 Al 620 Br)
M  V30 620 G 5.75 -40.25 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 619 Al 621 Br)
M  V30 621 V 7.25 -40.25 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 620 Al 622 Br)
M  V30 622 H 8.75 -40.25 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 621 Al 623 Br)
M  V30 623 T 10.25 -40.25 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 622 Al 624 Br)
M  V30 624 F 11.75 -40.25 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 623 Al 625 Br)
M  V30 625 P 13.25 -40.25 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 624 Al 626 Br)
M  V30 626 A 14.75 -40.25 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 625 Al 627 Br)
M  V30 627 V 16.25 -40.25 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 626 Al 628 Br)
M  V30 628 L 17.75 -40.25 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 627 Al 629 Br)
M  V30 629 Q 19.25 -40.25 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 628 Al 630 Br)
M  V30 630 S 20.75 -40.25 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 629 Al 631 Br)
M  V30 631 S 22.25 -40.25 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 630 Al 632 Br)
M  V30 632 G 23.75 -40.25 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 631 Al 633 Br)
M  V30 633 L 25.25 -40.25 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 632 Al 634 Br)
M  V30 634 Y 26.75 -40.25 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 633 Al 635 Br)
M  V30 635 S 28.25 -40.25 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 634 Al 636 Br)
M  V30 636 L 29.75 -40.25 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 635 Al 637 Br)
M  V30 637 S 31.25 -40.25 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 636 Al 638 Br)
M  V30 638 S 32.75 -40.25 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 637 Al 639 Br)
M  V30 639 V 34.25 -40.25 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 638 Al 640 Br)
M  V30 640 V 35.75 -40.25 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 639 Al 641 Br)
M  V30 641 T 37.25 -40.25 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 640 Al 642 Br)
M  V30 642 V 1.25 -41.75 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 641 Al 643 Br)
M  V30 643 P 2.75 -41.75 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 642 Al 644 Br)
M  V30 644 S 4.25 -41.75 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 643 Al 645 Br)
M  V30 645 S 5.75 -41.75 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 644 Al 646 Br)
M  V30 646 S 7.25 -41.75 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 645 Al 647 Br)
M  V30 647 L 8.75 -41.75 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 646 Al 648 Br)
M  V30 648 G 10.25 -41.75 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 647 Al 649 Br)
M  V30 649 T 11.75 -41.75 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 648 Al 650 Br)
M  V30 650 Q 13.25 -41.75 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 649 Al 651 Br)
M  V30 651 T 14.75 -41.75 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 650 Al 652 Br)
M  V30 652 Y 16.25 -41.75 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 651 Al 653 Br)
M  V30 653 I 17.75 -41.75 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 652 Al 654 Br)
M  V30 654 C 19.25 -41.75 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(6 653 Al 655 Br 9-
M  V30 17 Cx)
M  V30 655 N 20.75 -41.75 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 654 Al 656 Br)
M  V30 656 V 22.25 -41.75 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 655 Al 657 Br)
M  V30 657 N 23.75 -41.75 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 656 Al 658 Br)
M  V30 658 H 25.25 -41.75 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 657 Al 659 Br)
M  V30 659 K 26.75 -41.75 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 658 Al 660 Br)
M  V30 660 P 28.25 -41.75 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 659 Al 661 Br)
M  V30 661 S 29.75 -41.75 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 660 Al 662 Br)
M  V30 662 N 31.25 -41.75 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 661 Al 663 Br)
M  V30 663 T 32.75 -41.75 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 662 Al 664 Br)
M  V30 664 K 34.25 -41.75 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 663 Al 665 Br)
M  V30 665 V 35.75 -41.75 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 664 Al 666 Br)
M  V30 666 D 37.25 -41.75 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 665 Al 667 Br)
M  V30 667 K 1.25 -43.25 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 666 Al 668 Br)
M  V30 668 K 2.75 -43.25 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 667 Al 669 Br)
M  V30 669 V 4.25 -43.25 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 668 Al 670 Br)
M  V30 670 E 5.75 -43.25 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 669 Al 671 Br)
M  V30 671 P 7.25 -43.25 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 670 Al 672 Br)
M  V30 672 K 8.75 -43.25 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 671 Al 673 Br)
M  V30 673 S 10.25 -43.25 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 672 Al 674 Br)
M  V30 674 C 11.75 -43.25 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(6 673 Al 675 Br 9-
M  V30 00 Cx)
M  V30 675 D 13.25 -43.25 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 674 Al 676 Br)
M  V30 676 K 14.75 -43.25 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 675 Al 677 Br)
M  V30 677 T 16.25 -43.25 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 676 Al 678 Br)
M  V30 678 H 17.75 -43.25 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 677 Al 679 Br)
M  V30 679 T 19.25 -43.25 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(4 678 Al 680 Br)
M  V30 680 C 20.75 -43.25 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(6 679 Al 681 Br 2-
M  V30 29 Cx)
M  V30 681 P 22.25 -43.25 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 680 Al 682 Br)
M  V30 682 P 23.75 -43.25 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 681 Al 683 Br)
M  V30 683 C 25.25 -43.25 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(6 682 Al 684 Br 2-
M  V30 32 Cx)
M  V30 684 P 26.75 -43.25 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 683 Al 685 Br)
M  V30 685 A 28.25 -43.25 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 684 Al 686 Br)
M  V30 686 P 29.75 -43.25 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 685 Al 921 Br)
M  V30 687 D 1.25 -44.75 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 688 Br)
M  V30 688 I 2.75 -44.75 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 687 Al 689 Br)
M  V30 689 Q 4.25 -44.75 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 688 Al 690 Br)
M  V30 690 M 5.75 -44.75 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 689 Al 691 Br)
M  V30 691 T 7.25 -44.75 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 690 Al 692 Br)
M  V30 692 Q 8.75 -44.75 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 691 Al 693 Br)
M  V30 693 S 10.25 -44.75 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(4 692 Al 694 Br)
M  V30 694 P 11.75 -44.75 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 693 Al 695 Br)
M  V30 695 S 13.25 -44.75 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 694 Al 696 Br)
M  V30 696 S 14.75 -44.75 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 695 Al 697 Br)
M  V30 697 L 16.25 -44.75 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 696 Al 698 Br)
M  V30 698 S 17.75 -44.75 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 697 Al 699 Br)
M  V30 699 A 19.25 -44.75 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 698 Al 700 Br)
M  V30 700 S 20.75 -44.75 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 699 Al 701 Br)
M  V30 701 V 22.25 -44.75 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 700 Al 702 Br)
M  V30 702 G 23.75 -44.75 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 701 Al 703 Br)
M  V30 703 D 25.25 -44.75 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 702 Al 704 Br)
M  V30 704 R 26.75 -44.75 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 703 Al 705 Br)
M  V30 705 V 28.25 -44.75 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 704 Al 706 Br)
M  V30 706 T 29.75 -44.75 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 705 Al 707 Br)
M  V30 707 I 31.25 -44.75 0.0 0 CLASS=AA SEQID=21 ATTCHORD=(4 706 Al 708 Br)
M  V30 708 T 32.75 -44.75 0.0 0 CLASS=AA SEQID=22 ATTCHORD=(4 707 Al 709 Br)
M  V30 709 C 34.25 -44.75 0.0 0 CLASS=AA SEQID=23 ATTCHORD=(6 708 Al 710 Br 7-
M  V30 74 Cx)
M  V30 710 R 35.75 -44.75 0.0 0 CLASS=AA SEQID=24 ATTCHORD=(4 709 Al 711 Br)
M  V30 711 A 37.25 -44.75 0.0 0 CLASS=AA SEQID=25 ATTCHORD=(4 710 Al 712 Br)
M  V30 712 S 1.25 -46.25 0.0 0 CLASS=AA SEQID=26 ATTCHORD=(4 711 Al 713 Br)
M  V30 713 Q 2.75 -46.25 0.0 0 CLASS=AA SEQID=27 ATTCHORD=(4 712 Al 714 Br)
M  V30 714 D 4.25 -46.25 0.0 0 CLASS=AA SEQID=28 ATTCHORD=(4 713 Al 715 Br)
M  V30 715 V 5.75 -46.25 0.0 0 CLASS=AA SEQID=29 ATTCHORD=(4 714 Al 716 Br)
M  V30 716 N 7.25 -46.25 0.0 0 CLASS=AA SEQID=30 ATTCHORD=(4 715 Al 717 Br)
M  V30 717 T 8.75 -46.25 0.0 0 CLASS=AA SEQID=31 ATTCHORD=(4 716 Al 718 Br)
M  V30 718 A 10.25 -46.25 0.0 0 CLASS=AA SEQID=32 ATTCHORD=(4 717 Al 719 Br)
M  V30 719 V 11.75 -46.25 0.0 0 CLASS=AA SEQID=33 ATTCHORD=(4 718 Al 720 Br)
M  V30 720 A 13.25 -46.25 0.0 0 CLASS=AA SEQID=34 ATTCHORD=(4 719 Al 721 Br)
M  V30 721 W 14.75 -46.25 0.0 0 CLASS=AA SEQID=35 ATTCHORD=(4 720 Al 722 Br)
M  V30 722 Y 16.25 -46.25 0.0 0 CLASS=AA SEQID=36 ATTCHORD=(4 721 Al 723 Br)
M  V30 723 Q 17.75 -46.25 0.0 0 CLASS=AA SEQID=37 ATTCHORD=(4 722 Al 724 Br)
M  V30 724 Q 19.25 -46.25 0.0 0 CLASS=AA SEQID=38 ATTCHORD=(4 723 Al 725 Br)
M  V30 725 K 20.75 -46.25 0.0 0 CLASS=AA SEQID=39 ATTCHORD=(4 724 Al 726 Br)
M  V30 726 P 22.25 -46.25 0.0 0 CLASS=AA SEQID=40 ATTCHORD=(4 725 Al 727 Br)
M  V30 727 G 23.75 -46.25 0.0 0 CLASS=AA SEQID=41 ATTCHORD=(4 726 Al 728 Br)
M  V30 728 K 25.25 -46.25 0.0 0 CLASS=AA SEQID=42 ATTCHORD=(4 727 Al 729 Br)
M  V30 729 A 26.75 -46.25 0.0 0 CLASS=AA SEQID=43 ATTCHORD=(4 728 Al 730 Br)
M  V30 730 P 28.25 -46.25 0.0 0 CLASS=AA SEQID=44 ATTCHORD=(4 729 Al 731 Br)
M  V30 731 K 29.75 -46.25 0.0 0 CLASS=AA SEQID=45 ATTCHORD=(4 730 Al 732 Br)
M  V30 732 L 31.25 -46.25 0.0 0 CLASS=AA SEQID=46 ATTCHORD=(4 731 Al 733 Br)
M  V30 733 L 32.75 -46.25 0.0 0 CLASS=AA SEQID=47 ATTCHORD=(4 732 Al 734 Br)
M  V30 734 I 34.25 -46.25 0.0 0 CLASS=AA SEQID=48 ATTCHORD=(4 733 Al 735 Br)
M  V30 735 Y 35.75 -46.25 0.0 0 CLASS=AA SEQID=49 ATTCHORD=(4 734 Al 736 Br)
M  V30 736 S 37.25 -46.25 0.0 0 CLASS=AA SEQID=50 ATTCHORD=(4 735 Al 737 Br)
M  V30 737 A 1.25 -47.75 0.0 0 CLASS=AA SEQID=51 ATTCHORD=(4 736 Al 738 Br)
M  V30 738 S 2.75 -47.75 0.0 0 CLASS=AA SEQID=52 ATTCHORD=(4 737 Al 739 Br)
M  V30 739 F 4.25 -47.75 0.0 0 CLASS=AA SEQID=53 ATTCHORD=(4 738 Al 740 Br)
M  V30 740 L 5.75 -47.75 0.0 0 CLASS=AA SEQID=54 ATTCHORD=(4 739 Al 741 Br)
M  V30 741 Y 7.25 -47.75 0.0 0 CLASS=AA SEQID=55 ATTCHORD=(4 740 Al 742 Br)
M  V30 742 S 8.75 -47.75 0.0 0 CLASS=AA SEQID=56 ATTCHORD=(4 741 Al 743 Br)
M  V30 743 G 10.25 -47.75 0.0 0 CLASS=AA SEQID=57 ATTCHORD=(4 742 Al 744 Br)
M  V30 744 V 11.75 -47.75 0.0 0 CLASS=AA SEQID=58 ATTCHORD=(4 743 Al 745 Br)
M  V30 745 P 13.25 -47.75 0.0 0 CLASS=AA SEQID=59 ATTCHORD=(4 744 Al 746 Br)
M  V30 746 S 14.75 -47.75 0.0 0 CLASS=AA SEQID=60 ATTCHORD=(4 745 Al 747 Br)
M  V30 747 R 16.25 -47.75 0.0 0 CLASS=AA SEQID=61 ATTCHORD=(4 746 Al 748 Br)
M  V30 748 F 17.75 -47.75 0.0 0 CLASS=AA SEQID=62 ATTCHORD=(4 747 Al 749 Br)
M  V30 749 S 19.25 -47.75 0.0 0 CLASS=AA SEQID=63 ATTCHORD=(4 748 Al 750 Br)
M  V30 750 G 20.75 -47.75 0.0 0 CLASS=AA SEQID=64 ATTCHORD=(4 749 Al 751 Br)
M  V30 751 S 22.25 -47.75 0.0 0 CLASS=AA SEQID=65 ATTCHORD=(4 750 Al 752 Br)
M  V30 752 R 23.75 -47.75 0.0 0 CLASS=AA SEQID=66 ATTCHORD=(4 751 Al 753 Br)
M  V30 753 S 25.25 -47.75 0.0 0 CLASS=AA SEQID=67 ATTCHORD=(4 752 Al 754 Br)
M  V30 754 G 26.75 -47.75 0.0 0 CLASS=AA SEQID=68 ATTCHORD=(4 753 Al 755 Br)
M  V30 755 T 28.25 -47.75 0.0 0 CLASS=AA SEQID=69 ATTCHORD=(4 754 Al 756 Br)
M  V30 756 D 29.75 -47.75 0.0 0 CLASS=AA SEQID=70 ATTCHORD=(4 755 Al 757 Br)
M  V30 757 F 31.25 -47.75 0.0 0 CLASS=AA SEQID=71 ATTCHORD=(4 756 Al 758 Br)
M  V30 758 T 32.75 -47.75 0.0 0 CLASS=AA SEQID=72 ATTCHORD=(4 757 Al 759 Br)
M  V30 759 L 34.25 -47.75 0.0 0 CLASS=AA SEQID=73 ATTCHORD=(4 758 Al 760 Br)
M  V30 760 T 35.75 -47.75 0.0 0 CLASS=AA SEQID=74 ATTCHORD=(4 759 Al 761 Br)
M  V30 761 I 37.25 -47.75 0.0 0 CLASS=AA SEQID=75 ATTCHORD=(4 760 Al 762 Br)
M  V30 762 S 1.25 -49.25 0.0 0 CLASS=AA SEQID=76 ATTCHORD=(4 761 Al 763 Br)
M  V30 763 S 2.75 -49.25 0.0 0 CLASS=AA SEQID=77 ATTCHORD=(4 762 Al 764 Br)
M  V30 764 L 4.25 -49.25 0.0 0 CLASS=AA SEQID=78 ATTCHORD=(4 763 Al 765 Br)
M  V30 765 Q 5.75 -49.25 0.0 0 CLASS=AA SEQID=79 ATTCHORD=(4 764 Al 766 Br)
M  V30 766 P 7.25 -49.25 0.0 0 CLASS=AA SEQID=80 ATTCHORD=(4 765 Al 767 Br)
M  V30 767 E 8.75 -49.25 0.0 0 CLASS=AA SEQID=81 ATTCHORD=(4 766 Al 768 Br)
M  V30 768 D 10.25 -49.25 0.0 0 CLASS=AA SEQID=82 ATTCHORD=(4 767 Al 769 Br)
M  V30 769 F 11.75 -49.25 0.0 0 CLASS=AA SEQID=83 ATTCHORD=(4 768 Al 770 Br)
M  V30 770 A 13.25 -49.25 0.0 0 CLASS=AA SEQID=84 ATTCHORD=(4 769 Al 771 Br)
M  V30 771 T 14.75 -49.25 0.0 0 CLASS=AA SEQID=85 ATTCHORD=(4 770 Al 772 Br)
M  V30 772 Y 16.25 -49.25 0.0 0 CLASS=AA SEQID=86 ATTCHORD=(4 771 Al 773 Br)
M  V30 773 Y 17.75 -49.25 0.0 0 CLASS=AA SEQID=87 ATTCHORD=(4 772 Al 774 Br)
M  V30 774 C 19.25 -49.25 0.0 0 CLASS=AA SEQID=88 ATTCHORD=(6 773 Al 775 Br 7-
M  V30 09 Cx)
M  V30 775 Q 20.75 -49.25 0.0 0 CLASS=AA SEQID=89 ATTCHORD=(4 774 Al 776 Br)
M  V30 776 Q 22.25 -49.25 0.0 0 CLASS=AA SEQID=90 ATTCHORD=(4 775 Al 777 Br)
M  V30 777 H 23.75 -49.25 0.0 0 CLASS=AA SEQID=91 ATTCHORD=(4 776 Al 778 Br)
M  V30 778 Y 25.25 -49.25 0.0 0 CLASS=AA SEQID=92 ATTCHORD=(4 777 Al 779 Br)
M  V30 779 T 26.75 -49.25 0.0 0 CLASS=AA SEQID=93 ATTCHORD=(4 778 Al 780 Br)
M  V30 780 T 28.25 -49.25 0.0 0 CLASS=AA SEQID=94 ATTCHORD=(4 779 Al 781 Br)
M  V30 781 P 29.75 -49.25 0.0 0 CLASS=AA SEQID=95 ATTCHORD=(4 780 Al 782 Br)
M  V30 782 P 31.25 -49.25 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(4 781 Al 783 Br)
M  V30 783 T 32.75 -49.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 782 Al 784 Br)
M  V30 784 F 34.25 -49.25 0.0 0 CLASS=AA SEQID=98 ATTCHORD=(4 783 Al 785 Br)
M  V30 785 G 35.75 -49.25 0.0 0 CLASS=AA SEQID=99 ATTCHORD=(4 784 Al 786 Br)
M  V30 786 Q 37.25 -49.25 0.0 0 CLASS=AA SEQID=100 ATTCHORD=(4 785 Al 787 Br)
M  V30 787 G 1.25 -50.75 0.0 0 CLASS=AA SEQID=101 ATTCHORD=(4 786 Al 788 Br)
M  V30 788 T 2.75 -50.75 0.0 0 CLASS=AA SEQID=102 ATTCHORD=(4 787 Al 789 Br)
M  V30 789 K 4.25 -50.75 0.0 0 CLASS=AA SEQID=103 ATTCHORD=(4 788 Al 790 Br)
M  V30 790 V 5.75 -50.75 0.0 0 CLASS=AA SEQID=104 ATTCHORD=(4 789 Al 791 Br)
M  V30 791 E 7.25 -50.75 0.0 0 CLASS=AA SEQID=105 ATTCHORD=(4 790 Al 792 Br)
M  V30 792 I 8.75 -50.75 0.0 0 CLASS=AA SEQID=106 ATTCHORD=(4 791 Al 793 Br)
M  V30 793 K 10.25 -50.75 0.0 0 CLASS=AA SEQID=107 ATTCHORD=(4 792 Al 794 Br)
M  V30 794 R 11.75 -50.75 0.0 0 CLASS=AA SEQID=108 ATTCHORD=(4 793 Al 795 Br)
M  V30 795 T 13.25 -50.75 0.0 0 CLASS=AA SEQID=109 ATTCHORD=(4 794 Al 796 Br)
M  V30 796 V 14.75 -50.75 0.0 0 CLASS=AA SEQID=110 ATTCHORD=(4 795 Al 797 Br)
M  V30 797 A 16.25 -50.75 0.0 0 CLASS=AA SEQID=111 ATTCHORD=(4 796 Al 798 Br)
M  V30 798 A 17.75 -50.75 0.0 0 CLASS=AA SEQID=112 ATTCHORD=(4 797 Al 799 Br)
M  V30 799 P 19.25 -50.75 0.0 0 CLASS=AA SEQID=113 ATTCHORD=(4 798 Al 800 Br)
M  V30 800 S 20.75 -50.75 0.0 0 CLASS=AA SEQID=114 ATTCHORD=(4 799 Al 801 Br)
M  V30 801 V 22.25 -50.75 0.0 0 CLASS=AA SEQID=115 ATTCHORD=(4 800 Al 802 Br)
M  V30 802 F 23.75 -50.75 0.0 0 CLASS=AA SEQID=116 ATTCHORD=(4 801 Al 803 Br)
M  V30 803 I 25.25 -50.75 0.0 0 CLASS=AA SEQID=117 ATTCHORD=(4 802 Al 804 Br)
M  V30 804 F 26.75 -50.75 0.0 0 CLASS=AA SEQID=118 ATTCHORD=(4 803 Al 805 Br)
M  V30 805 P 28.25 -50.75 0.0 0 CLASS=AA SEQID=119 ATTCHORD=(4 804 Al 806 Br)
M  V30 806 P 29.75 -50.75 0.0 0 CLASS=AA SEQID=120 ATTCHORD=(4 805 Al 807 Br)
M  V30 807 S 31.25 -50.75 0.0 0 CLASS=AA SEQID=121 ATTCHORD=(4 806 Al 808 Br)
M  V30 808 D 32.75 -50.75 0.0 0 CLASS=AA SEQID=122 ATTCHORD=(4 807 Al 809 Br)
M  V30 809 E 34.25 -50.75 0.0 0 CLASS=AA SEQID=123 ATTCHORD=(4 808 Al 810 Br)
M  V30 810 Q 35.75 -50.75 0.0 0 CLASS=AA SEQID=124 ATTCHORD=(4 809 Al 811 Br)
M  V30 811 L 37.25 -50.75 0.0 0 CLASS=AA SEQID=125 ATTCHORD=(4 810 Al 812 Br)
M  V30 812 K 1.25 -52.25 0.0 0 CLASS=AA SEQID=126 ATTCHORD=(4 811 Al 813 Br)
M  V30 813 S 2.75 -52.25 0.0 0 CLASS=AA SEQID=127 ATTCHORD=(4 812 Al 814 Br)
M  V30 814 G 4.25 -52.25 0.0 0 CLASS=AA SEQID=128 ATTCHORD=(4 813 Al 815 Br)
M  V30 815 T 5.75 -52.25 0.0 0 CLASS=AA SEQID=129 ATTCHORD=(4 814 Al 816 Br)
M  V30 816 A 7.25 -52.25 0.0 0 CLASS=AA SEQID=130 ATTCHORD=(4 815 Al 817 Br)
M  V30 817 S 8.75 -52.25 0.0 0 CLASS=AA SEQID=131 ATTCHORD=(4 816 Al 818 Br)
M  V30 818 V 10.25 -52.25 0.0 0 CLASS=AA SEQID=132 ATTCHORD=(4 817 Al 819 Br)
M  V30 819 V 11.75 -52.25 0.0 0 CLASS=AA SEQID=133 ATTCHORD=(4 818 Al 820 Br)
M  V30 820 C 13.25 -52.25 0.0 0 CLASS=AA SEQID=134 ATTCHORD=(6 819 Al 821 Br -
M  V30 880 Cx)
M  V30 821 L 14.75 -52.25 0.0 0 CLASS=AA SEQID=135 ATTCHORD=(4 820 Al 822 Br)
M  V30 822 L 16.25 -52.25 0.0 0 CLASS=AA SEQID=136 ATTCHORD=(4 821 Al 823 Br)
M  V30 823 N 17.75 -52.25 0.0 0 CLASS=AA SEQID=137 ATTCHORD=(4 822 Al 824 Br)
M  V30 824 N 19.25 -52.25 0.0 0 CLASS=AA SEQID=138 ATTCHORD=(4 823 Al 825 Br)
M  V30 825 F 20.75 -52.25 0.0 0 CLASS=AA SEQID=139 ATTCHORD=(4 824 Al 826 Br)
M  V30 826 Y 22.25 -52.25 0.0 0 CLASS=AA SEQID=140 ATTCHORD=(4 825 Al 827 Br)
M  V30 827 P 23.75 -52.25 0.0 0 CLASS=AA SEQID=141 ATTCHORD=(4 826 Al 828 Br)
M  V30 828 R 25.25 -52.25 0.0 0 CLASS=AA SEQID=142 ATTCHORD=(4 827 Al 829 Br)
M  V30 829 E 26.75 -52.25 0.0 0 CLASS=AA SEQID=143 ATTCHORD=(4 828 Al 830 Br)
M  V30 830 A 28.25 -52.25 0.0 0 CLASS=AA SEQID=144 ATTCHORD=(4 829 Al 831 Br)
M  V30 831 K 29.75 -52.25 0.0 0 CLASS=AA SEQID=145 ATTCHORD=(4 830 Al 832 Br)
M  V30 832 V 31.25 -52.25 0.0 0 CLASS=AA SEQID=146 ATTCHORD=(4 831 Al 833 Br)
M  V30 833 Q 32.75 -52.25 0.0 0 CLASS=AA SEQID=147 ATTCHORD=(4 832 Al 834 Br)
M  V30 834 W 34.25 -52.25 0.0 0 CLASS=AA SEQID=148 ATTCHORD=(4 833 Al 835 Br)
M  V30 835 K 35.75 -52.25 0.0 0 CLASS=AA SEQID=149 ATTCHORD=(4 834 Al 836 Br)
M  V30 836 V 37.25 -52.25 0.0 0 CLASS=AA SEQID=150 ATTCHORD=(4 835 Al 837 Br)
M  V30 837 D 1.25 -53.75 0.0 0 CLASS=AA SEQID=151 ATTCHORD=(4 836 Al 838 Br)
M  V30 838 N 2.75 -53.75 0.0 0 CLASS=AA SEQID=152 ATTCHORD=(4 837 Al 839 Br)
M  V30 839 A 4.25 -53.75 0.0 0 CLASS=AA SEQID=153 ATTCHORD=(4 838 Al 840 Br)
M  V30 840 L 5.75 -53.75 0.0 0 CLASS=AA SEQID=154 ATTCHORD=(4 839 Al 841 Br)
M  V30 841 Q 7.25 -53.75 0.0 0 CLASS=AA SEQID=155 ATTCHORD=(4 840 Al 842 Br)
M  V30 842 S 8.75 -53.75 0.0 0 CLASS=AA SEQID=156 ATTCHORD=(4 841 Al 843 Br)
M  V30 843 G 10.25 -53.75 0.0 0 CLASS=AA SEQID=157 ATTCHORD=(4 842 Al 844 Br)
M  V30 844 N 11.75 -53.75 0.0 0 CLASS=AA SEQID=158 ATTCHORD=(4 843 Al 845 Br)
M  V30 845 S 13.25 -53.75 0.0 0 CLASS=AA SEQID=159 ATTCHORD=(4 844 Al 846 Br)
M  V30 846 Q 14.75 -53.75 0.0 0 CLASS=AA SEQID=160 ATTCHORD=(4 845 Al 847 Br)
M  V30 847 E 16.25 -53.75 0.0 0 CLASS=AA SEQID=161 ATTCHORD=(4 846 Al 848 Br)
M  V30 848 S 17.75 -53.75 0.0 0 CLASS=AA SEQID=162 ATTCHORD=(4 847 Al 849 Br)
M  V30 849 V 19.25 -53.75 0.0 0 CLASS=AA SEQID=163 ATTCHORD=(4 848 Al 850 Br)
M  V30 850 T 20.75 -53.75 0.0 0 CLASS=AA SEQID=164 ATTCHORD=(4 849 Al 851 Br)
M  V30 851 E 22.25 -53.75 0.0 0 CLASS=AA SEQID=165 ATTCHORD=(4 850 Al 852 Br)
M  V30 852 Q 23.75 -53.75 0.0 0 CLASS=AA SEQID=166 ATTCHORD=(4 851 Al 853 Br)
M  V30 853 D 25.25 -53.75 0.0 0 CLASS=AA SEQID=167 ATTCHORD=(4 852 Al 854 Br)
M  V30 854 S 26.75 -53.75 0.0 0 CLASS=AA SEQID=168 ATTCHORD=(4 853 Al 855 Br)
M  V30 855 K 28.25 -53.75 0.0 0 CLASS=AA SEQID=169 ATTCHORD=(4 854 Al 856 Br)
M  V30 856 D 29.75 -53.75 0.0 0 CLASS=AA SEQID=170 ATTCHORD=(4 855 Al 857 Br)
M  V30 857 S 31.25 -53.75 0.0 0 CLASS=AA SEQID=171 ATTCHORD=(4 856 Al 858 Br)
M  V30 858 T 32.75 -53.75 0.0 0 CLASS=AA SEQID=172 ATTCHORD=(4 857 Al 859 Br)
M  V30 859 Y 34.25 -53.75 0.0 0 CLASS=AA SEQID=173 ATTCHORD=(4 858 Al 860 Br)
M  V30 860 S 35.75 -53.75 0.0 0 CLASS=AA SEQID=174 ATTCHORD=(4 859 Al 861 Br)
M  V30 861 L 37.25 -53.75 0.0 0 CLASS=AA SEQID=175 ATTCHORD=(4 860 Al 862 Br)
M  V30 862 S 1.25 -55.25 0.0 0 CLASS=AA SEQID=176 ATTCHORD=(4 861 Al 863 Br)
M  V30 863 S 2.75 -55.25 0.0 0 CLASS=AA SEQID=177 ATTCHORD=(4 862 Al 864 Br)
M  V30 864 T 4.25 -55.25 0.0 0 CLASS=AA SEQID=178 ATTCHORD=(4 863 Al 865 Br)
M  V30 865 L 5.75 -55.25 0.0 0 CLASS=AA SEQID=179 ATTCHORD=(4 864 Al 866 Br)
M  V30 866 T 7.25 -55.25 0.0 0 CLASS=AA SEQID=180 ATTCHORD=(4 865 Al 867 Br)
M  V30 867 L 8.75 -55.25 0.0 0 CLASS=AA SEQID=181 ATTCHORD=(4 866 Al 868 Br)
M  V30 868 S 10.25 -55.25 0.0 0 CLASS=AA SEQID=182 ATTCHORD=(4 867 Al 869 Br)
M  V30 869 K 11.75 -55.25 0.0 0 CLASS=AA SEQID=183 ATTCHORD=(4 868 Al 870 Br)
M  V30 870 A 13.25 -55.25 0.0 0 CLASS=AA SEQID=184 ATTCHORD=(4 869 Al 871 Br)
M  V30 871 D 14.75 -55.25 0.0 0 CLASS=AA SEQID=185 ATTCHORD=(4 870 Al 872 Br)
M  V30 872 Y 16.25 -55.25 0.0 0 CLASS=AA SEQID=186 ATTCHORD=(4 871 Al 873 Br)
M  V30 873 E 17.75 -55.25 0.0 0 CLASS=AA SEQID=187 ATTCHORD=(4 872 Al 874 Br)
M  V30 874 K 19.25 -55.25 0.0 0 CLASS=AA SEQID=188 ATTCHORD=(4 873 Al 875 Br)
M  V30 875 H 20.75 -55.25 0.0 0 CLASS=AA SEQID=189 ATTCHORD=(4 874 Al 876 Br)
M  V30 876 K 22.25 -55.25 0.0 0 CLASS=AA SEQID=190 ATTCHORD=(4 875 Al 877 Br)
M  V30 877 V 23.75 -55.25 0.0 0 CLASS=AA SEQID=191 ATTCHORD=(4 876 Al 878 Br)
M  V30 878 Y 25.25 -55.25 0.0 0 CLASS=AA SEQID=192 ATTCHORD=(4 877 Al 879 Br)
M  V30 879 A 26.75 -55.25 0.0 0 CLASS=AA SEQID=193 ATTCHORD=(4 878 Al 880 Br)
M  V30 880 C 28.25 -55.25 0.0 0 CLASS=AA SEQID=194 ATTCHORD=(6 879 Al 881 Br -
M  V30 820 Cx)
M  V30 881 E 29.75 -55.25 0.0 0 CLASS=AA SEQID=195 ATTCHORD=(4 880 Al 882 Br)
M  V30 882 V 31.25 -55.25 0.0 0 CLASS=AA SEQID=196 ATTCHORD=(4 881 Al 883 Br)
M  V30 883 T 32.75 -55.25 0.0 0 CLASS=AA SEQID=197 ATTCHORD=(4 882 Al 884 Br)
M  V30 884 H 34.25 -55.25 0.0 0 CLASS=AA SEQID=198 ATTCHORD=(4 883 Al 885 Br)
M  V30 885 Q 35.75 -55.25 0.0 0 CLASS=AA SEQID=199 ATTCHORD=(4 884 Al 886 Br)
M  V30 886 G 37.25 -55.25 0.0 0 CLASS=AA SEQID=200 ATTCHORD=(4 885 Al 887 Br)
M  V30 887 L 1.25 -56.75 0.0 0 CLASS=AA SEQID=201 ATTCHORD=(4 886 Al 888 Br)
M  V30 888 S 2.75 -56.75 0.0 0 CLASS=AA SEQID=202 ATTCHORD=(4 887 Al 889 Br)
M  V30 889 S 4.25 -56.75 0.0 0 CLASS=AA SEQID=203 ATTCHORD=(4 888 Al 890 Br)
M  V30 890 P 5.75 -56.75 0.0 0 CLASS=AA SEQID=204 ATTCHORD=(4 889 Al 891 Br)
M  V30 891 V 7.25 -56.75 0.0 0 CLASS=AA SEQID=205 ATTCHORD=(4 890 Al 892 Br)
M  V30 892 T 8.75 -56.75 0.0 0 CLASS=AA SEQID=206 ATTCHORD=(4 891 Al 893 Br)
M  V30 893 K 10.25 -56.75 0.0 0 CLASS=AA SEQID=207 ATTCHORD=(4 892 Al 894 Br)
M  V30 894 S 11.75 -56.75 0.0 0 CLASS=AA SEQID=208 ATTCHORD=(4 893 Al 895 Br)
M  V30 895 F 13.25 -56.75 0.0 0 CLASS=AA SEQID=209 ATTCHORD=(4 894 Al 896 Br)
M  V30 896 N 14.75 -56.75 0.0 0 CLASS=AA SEQID=210 ATTCHORD=(4 895 Al 897 Br)
M  V30 897 R 16.25 -56.75 0.0 0 CLASS=AA SEQID=211 ATTCHORD=(4 896 Al 898 Br)
M  V30 898 G 17.75 -56.75 0.0 0 CLASS=AA SEQID=212 ATTCHORD=(4 897 Al 899 Br)
M  V30 899 E 19.25 -56.75 0.0 0 CLASS=AA SEQID=213 ATTCHORD=(4 898 Al 900 Br)
M  V30 900 C 20.75 -56.75 0.0 0 CLASS=AA SEQID=214 ATTCHORD=(4 899 Al 674 Cx)
M  V30 901 D 16.25 -38.75 0.0 0 CLASS=AA SEQID=11 ATTCHORD=(4 902 Br 920 Al)
M  V30 902 Y 17.75 -38.75 0.0 0 CLASS=AA SEQID=12 ATTCHORD=(4 901 Al 903 Br)
M  V30 903 F 19.25 -38.75 0.0 0 CLASS=AA SEQID=13 ATTCHORD=(4 902 Al 904 Br)
M  V30 904 P 20.75 -38.75 0.0 0 CLASS=AA SEQID=14 ATTCHORD=(4 903 Al 905 Br)
M  V30 905 E 22.25 -38.75 0.0 0 CLASS=AA SEQID=15 ATTCHORD=(4 904 Al 906 Br)
M  V30 906 P 23.75 -38.75 0.0 0 CLASS=AA SEQID=16 ATTCHORD=(4 905 Al 907 Br)
M  V30 907 V 25.25 -38.75 0.0 0 CLASS=AA SEQID=17 ATTCHORD=(4 906 Al 908 Br)
M  V30 908 T 26.75 -38.75 0.0 0 CLASS=AA SEQID=18 ATTCHORD=(4 907 Al 909 Br)
M  V30 909 V 28.25 -38.75 0.0 0 CLASS=AA SEQID=19 ATTCHORD=(4 908 Al 910 Br)
M  V30 910 S 29.75 -38.75 0.0 0 CLASS=AA SEQID=20 ATTCHORD=(4 612 Br 909 Al)
M  V30 911 G 1.25 -38.75 0.0 0 CLASS=AA SEQID=1 ATTCHORD=(2 912 Br)
M  V30 912 T 2.75 -38.75 0.0 0 CLASS=AA SEQID=2 ATTCHORD=(4 911 Al 913 Br)
M  V30 913 A 4.25 -38.75 0.0 0 CLASS=AA SEQID=3 ATTCHORD=(4 912 Al 914 Br)
M  V30 914 A 5.75 -38.75 0.0 0 CLASS=AA SEQID=4 ATTCHORD=(4 913 Al 915 Br)
M  V30 915 L 7.25 -38.75 0.0 0 CLASS=AA SEQID=5 ATTCHORD=(4 914 Al 916 Br)
M  V30 916 G 8.75 -38.75 0.0 0 CLASS=AA SEQID=6 ATTCHORD=(4 915 Al 917 Br)
M  V30 917 C 10.25 -38.75 0.0 0 CLASS=AA SEQID=7 ATTCHORD=(6 654 Cx 916 Al 91-
M  V30 8 Br)
M  V30 918 L 11.75 -38.75 0.0 0 CLASS=AA SEQID=8 ATTCHORD=(4 917 Al 919 Br)
M  V30 919 V 13.25 -38.75 0.0 0 CLASS=AA SEQID=9 ATTCHORD=(4 918 Al 920 Br)
M  V30 920 K 14.75 -38.75 0.0 0 CLASS=AA SEQID=10 ATTCHORD=(4 901 Br 919 Al)
M  V30 921 A 31.25 -43.25 0.0 0 CLASS=AA SEQID=96 ATTCHORD=(4 686 Al 922 Br)
M  V30 922 K 32.75 -43.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 921 Al 923 Br)
M  V30 923 K 32.75 -43.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 922 Al 924 Br)
M  V30 924 K 32.75 -43.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(4 923 Al 925 Br)
M  V30 925 A 32.75 -43.25 0.0 0 CLASS=AA SEQID=97 ATTCHORD=(2 924 Al)
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 1 11 12
M  V30 12 1 12 13
M  V30 13 1 13 14
M  V30 14 1 14 15
M  V30 15 1 15 16
M  V30 16 1 16 17
M  V30 17 1 17 18
M  V30 18 1 18 19
M  V30 19 1 19 20
M  V30 20 1 20 21
M  V30 21 1 21 22
M  V30 22 1 22 23
M  V30 23 1 23 24
M  V30 24 1 24 25
M  V30 25 1 25 26
M  V30 26 1 26 27
M  V30 27 1 27 28
M  V30 28 1 28 29
M  V30 29 1 29 30
M  V30 30 1 30 31
M  V30 31 1 31 32
M  V30 32 1 32 33
M  V30 33 1 33 34
M  V30 34 1 34 35
M  V30 35 1 35 36
M  V30 36 1 36 37
M  V30 37 1 37 38
M  V30 38 1 38 39
M  V30 39 1 39 40
M  V30 40 1 40 41
M  V30 41 1 41 42
M  V30 42 1 42 43
M  V30 43 1 43 44
M  V30 44 1 44 45
M  V30 45 1 45 46
M  V30 46 1 46 47
M  V30 47 1 47 48
M  V30 48 1 48 49
M  V30 49 1 49 50
M  V30 50 1 50 51
M  V30 51 1 51 52
M  V30 52 1 52 53
M  V30 53 1 53 54
M  V30 54 1 54 55
M  V30 55 1 55 56
M  V30 56 1 56 57
M  V30 57 1 57 58
M  V30 58 1 58 59
M  V30 59 1 59 60
M  V30 60 1 60 61
M  V30 61 1 61 62
M  V30 62 1 62 63
M  V30 63 1 63 64
M  V30 64 1 64 65
M  V30 65 1 65 66
M  V30 66 1 66 67
M  V30 67 1 67 68
M  V30 68 1 68 69
M  V30 69 1 69 70
M  V30 70 1 70 71
M  V30 71 1 71 72
M  V30 72 1 72 73
M  V30 73 1 73 74
M  V30 74 1 74 75
M  V30 75 1 75 76
M  V30 76 1 76 77
M  V30 77 1 77 78
M  V30 78 1 78 79
M  V30 79 1 79 80
M  V30 80 1 80 81
M  V30 81 1 81 82
M  V30 82 1 82 83
M  V30 83 1 83 84
M  V30 84 1 84 85
M  V30 85 1 85 86
M  V30 86 1 86 87
M  V30 87 1 87 88
M  V30 88 1 88 89
M  V30 89 1 89 90
M  V30 90 1 90 91
M  V30 91 1 91 92
M  V30 92 1 92 93
M  V30 93 1 93 94
M  V30 94 1 94 95
M  V30 95 1 95 96
M  V30 96 1 96 97
M  V30 97 1 97 98
M  V30 98 1 98 99
M  V30 99 1 99 100
M  V30 100 1 100 101
M  V30 101 1 101 102
M  V30 102 1 102 103
M  V30 103 1 103 104
M  V30 104 1 104 105
M  V30 105 1 105 106
M  V30 106 1 106 107
M  V30 107 1 107 108
M  V30 108 1 108 109
M  V30 109 1 109 110
M  V30 110 1 110 111
M  V30 111 1 111 112
M  V30 112 1 112 113
M  V30 113 1 113 114
M  V30 114 1 114 115
M  V30 115 1 115 116
M  V30 116 1 116 117
M  V30 117 1 117 118
M  V30 118 1 118 119
M  V30 119 1 119 120
M  V30 120 1 120 121
M  V30 121 1 121 122
M  V30 122 1 122 123
M  V30 123 1 123 124
M  V30 124 1 124 125
M  V30 125 1 125 126
M  V30 126 1 126 127
M  V30 127 1 127 128
M  V30 128 1 128 129
M  V30 129 1 129 130
M  V30 130 1 130 131
M  V30 131 1 131 132
M  V30 132 1 132 133
M  V30 133 1 133 134
M  V30 134 1 134 135
M  V30 135 1 135 136
M  V30 136 1 136 137
M  V30 137 1 137 138
M  V30 138 1 138 139
M  V30 139 1 139 140
M  V30 140 1 140 141
M  V30 141 1 141 142
M  V30 142 1 142 143
M  V30 143 1 143 144
M  V30 144 1 144 145
M  V30 145 1 145 146
M  V30 146 1 146 147
M  V30 147 1 147 148
M  V30 148 1 148 149
M  V30 149 1 149 150
M  V30 150 1 150 151
M  V30 151 1 151 152
M  V30 152 1 152 153
M  V30 153 1 153 154
M  V30 154 1 154 155
M  V30 155 1 155 156
M  V30 156 1 156 157
M  V30 157 1 157 158
M  V30 158 1 158 159
M  V30 159 1 159 160
M  V30 160 1 160 161
M  V30 161 1 161 162
M  V30 162 1 162 163
M  V30 163 1 163 164
M  V30 164 1 164 165
M  V30 165 1 165 166
M  V30 166 1 166 167
M  V30 167 1 167 168
M  V30 168 1 168 169
M  V30 169 1 169 170
M  V30 170 1 170 171
M  V30 171 1 171 172
M  V30 172 1 172 173
M  V30 173 1 173 174
M  V30 174 1 174 175
M  V30 175 1 175 176
M  V30 176 1 176 177
M  V30 177 1 177 178
M  V30 178 1 178 179
M  V30 179 1 179 180
M  V30 180 1 180 181
M  V30 181 1 181 182
M  V30 182 1 182 183
M  V30 183 1 183 184
M  V30 184 1 184 185
M  V30 185 1 185 186
M  V30 186 1 186 187
M  V30 187 1 187 188
M  V30 188 1 188 189
M  V30 189 1 189 190
M  V30 190 1 190 191
M  V30 191 1 191 192
M  V30 192 1 192 193
M  V30 193 1 193 194
M  V30 194 1 194 195
M  V30 195 1 195 196
M  V30 196 1 196 197
M  V30 197 1 197 198
M  V30 198 1 198 199
M  V30 199 1 199 200
M  V30 200 1 200 201
M  V30 201 1 201 202
M  V30 202 1 202 203
M  V30 203 1 203 204
M  V30 204 1 204 205
M  V30 205 1 205 206
M  V30 206 1 206 207
M  V30 207 1 207 208
M  V30 208 1 208 209
M  V30 209 1 209 210
M  V30 210 1 210 211
M  V30 211 1 211 212
M  V30 212 1 212 213
M  V30 213 1 213 214
M  V30 214 1 214 215
M  V30 215 1 215 216
M  V30 216 1 216 217
M  V30 217 1 217 218
M  V30 218 1 218 219
M  V30 219 1 219 220
M  V30 220 1 220 221
M  V30 221 1 221 222
M  V30 222 1 222 223
M  V30 223 1 223 224
M  V30 224 1 224 225
M  V30 225 1 225 226
M  V30 226 1 226 227
M  V30 227 1 227 228
M  V30 228 1 228 229
M  V30 229 1 229 230
M  V30 230 1 230 231
M  V30 231 1 231 232
M  V30 232 1 232 233
M  V30 233 1 233 234
M  V30 234 1 234 235
M  V30 235 1 235 236
M  V30 236 1 236 237
M  V30 237 1 237 238
M  V30 238 1 238 239
M  V30 239 1 239 240
M  V30 240 1 240 241
M  V30 241 1 241 242
M  V30 242 1 242 243
M  V30 243 1 243 244
M  V30 244 1 244 245
M  V30 245 1 245 246
M  V30 246 1 246 247
M  V30 247 1 247 248
M  V30 248 1 248 249
M  V30 249 1 249 250
M  V30 250 1 250 251
M  V30 251 1 251 252
M  V30 252 1 252 253
M  V30 253 1 253 254
M  V30 254 1 254 255
M  V30 255 1 255 256
M  V30 256 1 256 257
M  V30 257 1 257 258
M  V30 258 1 258 259
M  V30 259 1 259 260
M  V30 260 1 260 261
M  V30 261 1 261 262
M  V30 262 1 262 263
M  V30 263 1 263 264
M  V30 264 1 264 265
M  V30 265 1 265 266
M  V30 266 1 266 267
M  V30 267 1 267 268
M  V30 268 1 268 269
M  V30 269 1 269 270
M  V30 270 1 270 271
M  V30 271 1 271 272
M  V30 272 1 272 273
M  V30 273 1 273 274
M  V30 274 1 274 275
M  V30 275 1 275 276
M  V30 276 1 276 277
M  V30 277 1 277 278
M  V30 278 1 278 279
M  V30 279 1 279 280
M  V30 280 1 280 281
M  V30 281 1 281 282
M  V30 282 1 282 283
M  V30 283 1 283 284
M  V30 284 1 284 285
M  V30 285 1 285 286
M  V30 286 1 286 287
M  V30 287 1 287 288
M  V30 288 1 288 289
M  V30 289 1 289 290
M  V30 290 1 290 291
M  V30 291 1 291 292
M  V30 292 1 292 293
M  V30 293 1 293 294
M  V30 294 1 294 295
M  V30 295 1 295 296
M  V30 296 1 296 297
M  V30 297 1 297 298
M  V30 298 1 298 299
M  V30 299 1 299 300
M  V30 300 1 300 301
M  V30 301 1 301 302
M  V30 302 1 302 303
M  V30 303 1 303 304
M  V30 304 1 304 305
M  V30 305 1 305 306
M  V30 306 1 306 307
M  V30 307 1 307 308
M  V30 308 1 308 309
M  V30 309 1 309 310
M  V30 310 1 310 311
M  V30 311 1 311 312
M  V30 312 1 312 313
M  V30 313 1 313 314
M  V30 314 1 314 315
M  V30 315 1 315 316
M  V30 316 1 316 317
M  V30 317 1 317 318
M  V30 318 1 318 319
M  V30 319 1 319 320
M  V30 320 1 320 321
M  V30 321 1 321 322
M  V30 322 1 322 323
M  V30 323 1 323 324
M  V30 324 1 324 325
M  V30 325 1 325 326
M  V30 326 1 326 327
M  V30 327 1 327 328
M  V30 328 1 328 329
M  V30 329 1 329 330
M  V30 330 1 330 331
M  V30 331 1 331 332
M  V30 332 1 332 333
M  V30 333 1 333 334
M  V30 334 1 334 335
M  V30 335 1 335 336
M  V30 336 1 336 337
M  V30 337 1 337 338
M  V30 338 1 338 339
M  V30 339 1 339 340
M  V30 340 1 340 341
M  V30 341 1 341 342
M  V30 342 1 342 343
M  V30 343 1 343 344
M  V30 344 1 344 345
M  V30 345 1 345 346
M  V30 346 1 346 347
M  V30 347 1 347 348
M  V30 348 1 348 349
M  V30 349 1 349 350
M  V30 350 1 350 351
M  V30 351 1 351 352
M  V30 352 1 352 353
M  V30 353 1 353 354
M  V30 354 1 354 355
M  V30 355 1 355 356
M  V30 356 1 356 357
M  V30 357 1 357 358
M  V30 358 1 358 359
M  V30 359 1 359 360
M  V30 360 1 360 361
M  V30 361 1 361 362
M  V30 362 1 362 363
M  V30 363 1 363 364
M  V30 364 1 364 365
M  V30 365 1 365 366
M  V30 366 1 366 367
M  V30 367 1 367 368
M  V30 368 1 368 369
M  V30 369 1 369 370
M  V30 370 1 370 371
M  V30 371 1 371 372
M  V30 372 1 372 373
M  V30 373 1 373 374
M  V30 374 1 374 375
M  V30 375 1 375 376
M  V30 376 1 376 377
M  V30 377 1 377 378
M  V30 378 1 378 379
M  V30 379 1 379 380
M  V30 380 1 380 381
M  V30 381 1 381 382
M  V30 382 1 382 383
M  V30 383 1 383 384
M  V30 384 1 384 385
M  V30 385 1 385 386
M  V30 386 1 386 387
M  V30 387 1 387 388
M  V30 388 1 388 389
M  V30 389 1 389 390
M  V30 390 1 390 391
M  V30 391 1 391 392
M  V30 392 1 392 393
M  V30 393 1 393 394
M  V30 394 1 394 395
M  V30 395 1 395 396
M  V30 396 1 396 397
M  V30 397 1 398 399
M  V30 398 1 399 400
M  V30 399 1 400 401
M  V30 400 1 401 402
M  V30 401 1 402 403
M  V30 402 1 403 404
M  V30 403 1 404 405
M  V30 404 1 405 406
M  V30 405 1 406 407
M  V30 406 1 407 408
M  V30 407 1 408 409
M  V30 408 1 409 410
M  V30 409 1 410 411
M  V30 410 1 411 412
M  V30 411 1 412 413
M  V30 412 1 413 414
M  V30 413 1 414 415
M  V30 414 1 415 416
M  V30 415 1 416 417
M  V30 416 1 417 418
M  V30 417 1 418 419
M  V30 418 1 419 420
M  V30 419 1 420 421
M  V30 420 1 421 422
M  V30 421 1 422 423
M  V30 422 1 423 424
M  V30 423 1 424 425
M  V30 424 1 425 426
M  V30 425 1 426 427
M  V30 426 1 427 428
M  V30 427 1 428 429
M  V30 428 1 429 430
M  V30 429 1 430 431
M  V30 430 1 431 432
M  V30 431 1 432 433
M  V30 432 1 433 434
M  V30 433 1 434 435
M  V30 434 1 435 436
M  V30 435 1 436 437
M  V30 436 1 437 438
M  V30 437 1 438 439
M  V30 438 1 439 440
M  V30 439 1 440 441
M  V30 440 1 441 442
M  V30 441 1 442 443
M  V30 442 1 443 444
M  V30 443 1 444 445
M  V30 444 1 445 446
M  V30 445 1 446 447
M  V30 446 1 447 448
M  V30 447 1 448 449
M  V30 448 1 449 450
M  V30 449 1 450 451
M  V30 450 1 451 452
M  V30 451 1 452 453
M  V30 452 1 453 454
M  V30 453 1 454 455
M  V30 454 1 455 456
M  V30 455 1 456 457
M  V30 456 1 457 458
M  V30 457 1 458 459
M  V30 458 1 459 460
M  V30 459 1 460 461
M  V30 460 1 461 462
M  V30 461 1 462 463
M  V30 462 1 463 464
M  V30 463 1 464 465
M  V30 464 1 465 466
M  V30 465 1 466 467
M  V30 466 1 467 468
M  V30 467 1 468 469
M  V30 468 1 469 470
M  V30 469 1 470 471
M  V30 470 1 471 472
M  V30 471 1 472 473
M  V30 472 1 473 474
M  V30 473 1 474 475
M  V30 474 1 475 476
M  V30 475 1 476 477
M  V30 476 1 477 478
M  V30 477 1 478 479
M  V30 478 1 479 480
M  V30 479 1 480 481
M  V30 480 1 481 482
M  V30 481 1 482 483
M  V30 482 1 483 484
M  V30 483 1 484 485
M  V30 484 1 485 486
M  V30 485 1 486 487
M  V30 486 1 487 488
M  V30 487 1 488 489
M  V30 488 1 489 490
M  V30 489 1 490 491
M  V30 490 1 491 492
M  V30 491 1 492 493
M  V30 492 1 493 494
M  V30 493 1 494 495
M  V30 494 1 495 496
M  V30 495 1 496 497
M  V30 496 1 497 498
M  V30 497 1 498 499
M  V30 498 1 499 500
M  V30 499 1 500 501
M  V30 500 1 501 502
M  V30 501 1 502 503
M  V30 502 1 503 504
M  V30 503 1 504 505
M  V30 504 1 505 506
M  V30 505 1 506 507
M  V30 506 1 507 508
M  V30 507 1 508 509
M  V30 508 1 509 510
M  V30 509 1 510 511
M  V30 510 1 511 512
M  V30 511 1 512 513
M  V30 512 1 513 514
M  V30 513 1 514 515
M  V30 514 1 515 516
M  V30 515 1 516 517
M  V30 516 1 517 518
M  V30 517 1 518 519
M  V30 518 1 519 520
M  V30 519 1 520 521
M  V30 520 1 521 522
M  V30 521 1 522 523
M  V30 522 1 523 524
M  V30 523 1 524 525
M  V30 524 1 525 526
M  V30 525 1 526 527
M  V30 526 1 527 528
M  V30 527 1 528 529
M  V30 528 1 529 530
M  V30 529 1 530 531
M  V30 530 1 531 532
M  V30 531 1 532 533
M  V30 532 1 533 534
M  V30 533 1 534 535
M  V30 534 1 535 536
M  V30 535 1 536 537
M  V30 536 1 537 538
M  V30 537 1 538 539
M  V30 538 1 539 540
M  V30 539 1 540 541
M  V30 540 1 541 542
M  V30 541 1 542 543
M  V30 542 1 543 544
M  V30 543 1 544 545
M  V30 544 1 545 546
M  V30 545 1 546 547
M  V30 546 1 547 548
M  V30 547 1 548 549
M  V30 548 1 549 550
M  V30 549 1 550 551
M  V30 550 1 551 552
M  V30 551 1 552 553
M  V30 552 1 553 554
M  V30 553 1 554 555
M  V30 554 1 555 556
M  V30 555 1 556 557
M  V30 556 1 557 558
M  V30 557 1 558 559
M  V30 558 1 559 560
M  V30 559 1 560 561
M  V30 560 1 561 562
M  V30 561 1 562 563
M  V30 562 1 563 564
M  V30 563 1 564 565
M  V30 564 1 565 566
M  V30 565 1 566 567
M  V30 566 1 567 568
M  V30 567 1 568 569
M  V30 568 1 569 570
M  V30 569 1 570 571
M  V30 570 1 571 572
M  V30 571 1 572 573
M  V30 572 1 573 574
M  V30 573 1 574 575
M  V30 574 1 575 576
M  V30 575 1 576 577
M  V30 576 1 577 578
M  V30 577 1 578 579
M  V30 578 1 579 580
M  V30 579 1 580 581
M  V30 580 1 581 582
M  V30 581 1 582 583
M  V30 582 1 583 584
M  V30 583 1 584 585
M  V30 584 1 585 586
M  V30 585 1 586 587
M  V30 586 1 587 588
M  V30 587 1 588 589
M  V30 588 1 589 590
M  V30 589 1 590 591
M  V30 590 1 591 592
M  V30 591 1 592 593
M  V30 592 1 593 594
M  V30 593 1 594 595
M  V30 594 1 595 596
M  V30 595 1 596 597
M  V30 596 1 597 598
M  V30 597 1 598 599
M  V30 598 1 599 600
M  V30 599 1 600 601
M  V30 600 1 601 602
M  V30 601 1 602 603
M  V30 602 1 603 604
M  V30 603 1 604 605
M  V30 604 1 605 606
M  V30 605 1 606 607
M  V30 606 1 607 608
M  V30 607 1 608 609
M  V30 608 1 609 610
M  V30 609 1 610 611
M  V30 610 1 96 22
M  V30 611 1 203 147
M  V30 612 1 264 324
M  V30 613 1 485 420
M  V30 614 1 591 531
M  V30 615 1 611 223
M  V30 616 1 612 613
M  V30 617 1 613 614
M  V30 618 1 614 615
M  V30 619 1 615 616
M  V30 620 1 616 617
M  V30 621 1 617 618
M  V30 622 1 618 619
M  V30 623 1 619 620
M  V30 624 1 620 621
M  V30 625 1 621 622
M  V30 626 1 622 623
M  V30 627 1 623 624
M  V30 628 1 624 625
M  V30 629 1 625 626
M  V30 630 1 626 627
M  V30 631 1 627 628
M  V30 632 1 628 629
M  V30 633 1 629 630
M  V30 634 1 630 631
M  V30 635 1 631 632
M  V30 636 1 632 633
M  V30 637 1 633 634
M  V30 638 1 634 635
M  V30 639 1 635 636
M  V30 640 1 636 637
M  V30 641 1 637 638
M  V30 642 1 638 639
M  V30 643 1 639 640
M  V30 644 1 640 641
M  V30 645 1 641 642
M  V30 646 1 642 643
M  V30 647 1 643 644
M  V30 648 1 644 645
M  V30 649 1 645 646
M  V30 650 1 646 647
M  V30 651 1 647 648
M  V30 652 1 648 649
M  V30 653 1 649 650
M  V30 654 1 650 651
M  V30 655 1 651 652
M  V30 656 1 652 653
M  V30 657 1 653 654
M  V30 658 1 654 655
M  V30 659 1 655 656
M  V30 660 1 656 657
M  V30 661 1 657 658
M  V30 662 1 658 659
M  V30 663 1 659 660
M  V30 664 1 660 661
M  V30 665 1 661 662
M  V30 666 1 662 663
M  V30 667 1 663 664
M  V30 668 1 664 665
M  V30 669 1 665 666
M  V30 670 1 666 667
M  V30 671 1 667 668
M  V30 672 1 668 669
M  V30 673 1 669 670
M  V30 674 1 670 671
M  V30 675 1 671 672
M  V30 676 1 672 673
M  V30 677 1 673 674
M  V30 678 1 674 675
M  V30 679 1 675 676
M  V30 680 1 676 677
M  V30 681 1 677 678
M  V30 682 1 678 679
M  V30 683 1 679 680
M  V30 684 1 680 681
M  V30 685 1 681 682
M  V30 686 1 682 683
M  V30 687 1 683 684
M  V30 688 1 684 685
M  V30 689 1 685 686
M  V30 690 1 687 688
M  V30 691 1 688 689
M  V30 692 1 689 690
M  V30 693 1 690 691
M  V30 694 1 691 692
M  V30 695 1 692 693
M  V30 696 1 693 694
M  V30 697 1 694 695
M  V30 698 1 695 696
M  V30 699 1 696 697
M  V30 700 1 697 698
M  V30 701 1 698 699
M  V30 702 1 699 700
M  V30 703 1 700 701
M  V30 704 1 701 702
M  V30 705 1 702 703
M  V30 706 1 703 704
M  V30 707 1 704 705
M  V30 708 1 705 706
M  V30 709 1 706 707
M  V30 710 1 707 708
M  V30 711 1 708 709
M  V30 712 1 709 710
M  V30 713 1 710 711
M  V30 714 1 711 712
M  V30 715 1 712 713
M  V30 716 1 713 714
M  V30 717 1 714 715
M  V30 718 1 715 716
M  V30 719 1 716 717
M  V30 720 1 717 718
M  V30 721 1 718 719
M  V30 722 1 719 720
M  V30 723 1 720 721
M  V30 724 1 721 722
M  V30 725 1 722 723
M  V30 726 1 723 724
M  V30 727 1 724 725
M  V30 728 1 725 726
M  V30 729 1 726 727
M  V30 730 1 727 728
M  V30 731 1 728 729
M  V30 732 1 729 730
M  V30 733 1 730 731
M  V30 734 1 731 732
M  V30 735 1 732 733
M  V30 736 1 733 734
M  V30 737 1 734 735
M  V30 738 1 735 736
M  V30 739 1 736 737
M  V30 740 1 737 738
M  V30 741 1 738 739
M  V30 742 1 739 740
M  V30 743 1 740 741
M  V30 744 1 741 742
M  V30 745 1 742 743
M  V30 746 1 743 744
M  V30 747 1 744 745
M  V30 748 1 745 746
M  V30 749 1 746 747
M  V30 750 1 747 748
M  V30 751 1 748 749
M  V30 752 1 749 750
M  V30 753 1 750 751
M  V30 754 1 751 752
M  V30 755 1 752 753
M  V30 756 1 753 754
M  V30 757 1 754 755
M  V30 758 1 755 756
M  V30 759 1 756 757
M  V30 760 1 757 758
M  V30 761 1 758 759
M  V30 762 1 759 760
M  V30 763 1 760 761
M  V30 764 1 761 762
M  V30 765 1 762 763
M  V30 766 1 763 764
M  V30 767 1 764 765
M  V30 768 1 765 766
M  V30 769 1 766 767
M  V30 770 1 767 768
M  V30 771 1 768 769
M  V30 772 1 769 770
M  V30 773 1 770 771
M  V30 774 1 771 772
M  V30 775 1 772 773
M  V30 776 1 773 774
M  V30 777 1 774 775
M  V30 778 1 775 776
M  V30 779 1 776 777
M  V30 780 1 777 778
M  V30 781 1 778 779
M  V30 782 1 779 780
M  V30 783 1 780 781
M  V30 784 1 781 782
M  V30 785 1 782 783
M  V30 786 1 783 784
M  V30 787 1 784 785
M  V30 788 1 785 786
M  V30 789 1 786 787
M  V30 790 1 787 788
M  V30 791 1 788 789
M  V30 792 1 789 790
M  V30 793 1 790 791
M  V30 794 1 791 792
M  V30 795 1 792 793
M  V30 796 1 793 794
M  V30 797 1 794 795
M  V30 798 1 795 796
M  V30 799 1 796 797
M  V30 800 1 797 798
M  V30 801 1 798 799
M  V30 802 1 799 800
M  V30 803 1 800 801
M  V30 804 1 801 802
M  V30 805 1 802 803
M  V30 806 1 803 804
M  V30 807 1 804 805
M  V30 808 1 805 806
M  V30 809 1 806 807
M  V30 810 1 807 808
M  V30 811 1 808 809
M  V30 812 1 809 810
M  V30 813 1 810 811
M  V30 814 1 811 812
M  V30 815 1 812 813
M  V30 816 1 813 814
M  V30 817 1 814 815
M  V30 818 1 815 816
M  V30 819 1 816 817
M  V30 820 1 817 818
M  V30 821 1 818 819
M  V30 822 1 819 820
M  V30 823 1 820 821
M  V30 824 1 821 822
M  V30 825 1 822 823
M  V30 826 1 823 824
M  V30 827 1 824 825
M  V30 828 1 825 826
M  V30 829 1 826 827
M  V30 830 1 827 828
M  V30 831 1 828 829
M  V30 832 1 829 830
M  V30 833 1 830 831
M  V30 834 1 831 832
M  V30 835 1 832 833
M  V30 836 1 833 834
M  V30 837 1 834 835
M  V30 838 1 835 836
M  V30 839 1 836 837
M  V30 840 1 837 838
M  V30 841 1 838 839
M  V30 842 1 839 840
M  V30 843 1 840 841
M  V30 844 1 841 842
M  V30 845 1 842 843
M  V30 846 1 843 844
M  V30 847 1 844 845
M  V30 848 1 845 846
M  V30 849 1 846 847
M  V30 850 1 847 848
M  V30 851 1 848 849
M  V30 852 1 849 850
M  V30 853 1 850 851
M  V30 854 1 851 852
M  V30 855 1 852 853
M  V30 856 1 853 854
M  V30 857 1 854 855
M  V30 858 1 855 856
M  V30 859 1 856 857
M  V30 860 1 857 858
M  V30 861 1 858 859
M  V30 862 1 859 860
M  V30 863 1 860 861
M  V30 864 1 861 862
M  V30 865 1 862 863
M  V30 866 1 863 864
M  V30 867 1 864 865
M  V30 868 1 865 866
M  V30 869 1 866 867
M  V30 870 1 867 868
M  V30 871 1 868 869
M  V30 872 1 869 870
M  V30 873 1 870 871
M  V30 874 1 871 872
M  V30 875 1 872 873
M  V30 876 1 873 874
M  V30 877 1 874 875
M  V30 878 1 875 876
M  V30 879 1 876 877
M  V30 880 1 877 878
M  V30 881 1 878 879
M  V30 882 1 879 880
M  V30 883 1 880 881
M  V30 884 1 881 882
M  V30 885 1 882 883
M  V30 886 1 883 884
M  V30 887 1 884 885
M  V30 888 1 885 886
M  V30 889 1 886 887
M  V30 890 1 887 888
M  V30 891 1 888 889
M  V30 892 1 889 890
M  V30 893 1 890 891
M  V30 894 1 891 892
M  V30 895 1 892 893
M  V30 896 1 893 894
M  V30 897 1 894 895
M  V30 898 1 895 896
M  V30 899 1 896 897
M  V30 900 1 897 898
M  V30 901 1 898 899
M  V30 902 1 899 900
M  V30 903 1 774 709
M  V30 904 1 880 820
M  V30 905 1 900 674
M  V30 906 1 229 680
M  V30 907 1 683 232
M  V30 908 1 910 612
M  V30 909 1 901 902
M  V30 910 1 902 903
M  V30 911 1 903 904
M  V30 912 1 904 905
M  V30 913 1 905 906
M  V30 914 1 906 907
M  V30 915 1 907 908
M  V30 916 1 908 909
M  V30 917 1 909 910
M  V30 918 1 654 917
M  V30 919 1 920 901
M  V30 920 1 911 912
M  V30 921 1 912 913
M  V30 922 1 913 914
M  V30 923 1 914 915
M  V30 924 1 915 916
M  V30 925 1 916 917
M  V30 926 1 917 918
M  V30 927 1 918 919
M  V30 928 1 919 920
M  V30 929 1 686 921
M  V30 930 1 921 922
M  V30 931 1 922 923
M  V30 932 1 923 924
M  V30 933 1 924 925
M  V30 END BOND
M  V30 END CTAB
M  V30 BEGIN TEMPLATE
M  V30 TEMPLATE 1 AA/Glu/E/ NATREPLACE=AA/E
M  V30 BEGIN CTAB
M  V30 COUNTS 12 11 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.3442 -1.4777 0.0 0 CFG=1
M  V30 2 C 1.6244 -2.2154 0.0 0
M  V30 3 O 1.6261 -3.3968 0.0 0
M  V30 4 O 2.6469 -1.6234 0.0 0
M  V30 5 N -0.9361 -2.2154 0.0 0
M  V30 6 H -1.9591 -1.6245 0.0 0
M  V30 7 C 0.3419 -0.0001 0.0 0
M  V30 8 C -0.9383 0.7375 0.0 0
M  V30 9 C -0.9406 2.2151 0.0 0
M  V30 10 O -1.9642 2.8049 0.0 0
M  V30 11 O 0.0819 2.8071 0.0 0
M  V30 12 H 0.0729 3.9885 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 1 5
M  V30 5 1 5 6
M  V30 6 1 1 7 CFG=1
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 2 9 10
M  V30 10 1 9 11
M  V30 11 1 11 12
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 1)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.511500 -0.295450 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.511250 -0.296000 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.004500 -0.590700 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
M  V30 S=LGRP
M  V30 4 SUP 4 ATOMS=(9 1 2 3 5 7 8 9 10 11) XBONDS=(3 3 5 11) BRKXYZ=(9 0.51-
M  V30 1250 0.296000 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0-
M  V30 .000000) BRKXYZ=(9 -0.004500 0.590700 0.000000 0.000000 0.000000 0.000-
M  V30 000 0.000000 0.000000 0.000000) LABEL=E CLASS=AA SAP=(3 5 6 Al) SAP=(3-
M  V30  2 4 Br) SAP=(3 11 12 Cx) NATREPLACE=AA/E
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 2 AA/Val/V/ NATREPLACE=AA/V
M  V30 BEGIN CTAB
M  V30 COUNTS 9 8 3 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.1543 -0.9675 0.0 0
M  V30 2 C -0.1446 -0.2156 0.0 0 CFG=2
M  V30 3 C -1.1823 1.8865 0.0 0
M  V30 4 C -0.1438 1.2853 0.0 0
M  V30 5 C 0.896 1.8843 0.0 0
M  V30 6 O 1.1536 -2.1676 0.0 0
M  V30 7 N -1.4435 -0.9675 0.0 0
M  V30 8 O 2.1941 -0.3685 0.0 0
M  V30 9 H -2.4838 -0.3695 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 6 1
M  V30 2 1 1 2
M  V30 3 1 1 8
M  V30 4 1 2 7
M  V30 5 1 2 4 CFG=1
M  V30 6 1 4 3
M  V30 7 1 4 5
M  V30 8 1 7 9
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.520150 -0.299000 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 3) BRKXYZ=(9 -0.519900 -0.299500 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 3 8) BRKXYZ=(9 0.519900 0.29-
M  V30 9500 0.000000 -0.520150 0.299000 0.000000 0.000000 0.000000 0.000000) -
M  V30 LABEL=V CLASS=AA SAP=(3 7 9 Al) SAP=(3 1 8 Br) NATREPLACE=AA/V
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 3 AA/Gln/Q/ NATREPLACE=AA/Q
M  V30 BEGIN CTAB
M  V30 COUNTS 12 11 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.6237 -2.2154 0.0 0
M  V30 2 O 1.6254 -3.3969 0.0 0
M  V30 3 C 0.3435 -1.4777 0.0 0 CFG=1
M  V30 4 N -0.9368 -2.2154 0.0 0
M  V30 5 H -1.9598 -1.6245 0.0 0
M  V30 6 C 0.3413 -0.0001 0.0 0
M  V30 7 C -0.9389 0.7376 0.0 0
M  V30 8 C -0.9411 2.2152 0.0 0
M  V30 9 N 0.0813 2.8071 0.0 0
M  V30 10 O -1.9648 2.805 0.0 0
M  V30 11 O 2.6462 -1.6235 0.0 0
M  V30 12 H 0.0799 3.9885 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 1
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6 CFG=1
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 2 8 10
M  V30 10 1 1 11
M  V30 11 1 9 12
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.511250 -0.295950 0.000-
M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
M  V30 ASS=LGRP
M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.000700 -0.590700 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
M  V30 S=LGRP
M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 6 7 8 9 10) XBONDS=(3 10 4 11) BRKXYZ=(9 0.51-
M  V30 1250 0.295950 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0-
M  V30 .000000) BRKXYZ=(9 -0.000700 0.590700 0.000000 0.000000 0.000000 0.000-
M  V30 000 0.000000 0.000000 0.000000) LABEL=Q CLASS=AA SAP=(3 4 5 Al) SAP=(3-
M  V30  1 11 Br) SAP=(3 9 12 Cx) NATREPLACE=AA/Q
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 4 AA/Leu/L/ NATREPLACE=AA/L
M  V30 BEGIN CTAB
M  V30 COUNTS 10 9 3 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.3626 0.9903 0.0 0
M  V30 2 C -0.9395 2.9396 0.0 0
M  V30 3 C -0.9377 1.7396 0.0 0
M  V30 4 C -1.9763 1.1383 0.0 0
M  V30 5 C 0.3649 -0.5105 0.0 0 CFG=1
M  V30 6 C 1.6653 -1.2598 0.0 0
M  V30 7 O 1.6671 -2.4598 0.0 0
M  V30 8 N -0.9355 -1.2598 0.0 0
M  V30 9 O 2.7038 -0.6585 0.0 0
M  V30 10 H -1.9746 -0.6596 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 3 1
M  V30 2 1 5 1 CFG=1
M  V30 3 1 3 2
M  V30 4 1 3 4
M  V30 5 1 5 8
M  V30 6 1 5 6
M  V30 7 2 6 7
M  V30 8 1 6 9
M  V30 9 1 8 10
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
M  V30 =LGRP
M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 8 9) BRKXYZ=(9 0.519250 0.-
M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
M  V30 ) LABEL=L CLASS=AA SAP=(3 8 10 Al) SAP=(3 6 9 Br) NATREPLACE=AA/L
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 5 AA/Ser/S/ NATREPLACE=AA/S
M  V30 BEGIN CTAB
M  V30 COUNTS 9 8 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.3671 -1.0829 0.0 0
M  V30 2 O 1.3689 -2.2643 0.0 0
M  V30 3 C 0.0869 -0.3452 0.0 0 CFG=1
M  V30 4 N -1.1934 -1.0829 0.0 0
M  V30 5 H -2.2165 -0.492 0.0 0
M  V30 6 C 0.0847 1.1324 0.0 0
M  V30 7 O -0.9391 1.7222 0.0 0
M  V30 8 O 2.3896 -0.4909 0.0 0
M  V30 9 H -0.9481 2.9036 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 1
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6 CFG=1
M  V30 6 1 6 7
M  V30 7 1 1 8
M  V30 8 1 7 9
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511550 -0.295450 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 -0.511250 -0.296000 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.004500 -0.590700 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 6 7) XBONDS=(3 7 4 8) BRKXYZ=(9 0.511250 0.29-
M  V30 6000 0.000000 -0.511550 0.295450 0.000000 0.000000 0.000000 0.000000) -
M  V30 BRKXYZ=(9 -0.004500 0.590700 0.000000 0.000000 0.000000 0.000000 0.000-
M  V30 000 0.000000 0.000000) LABEL=S CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 8 Br) -
M  V30 SAP=(3 7 9 Cx) NATREPLACE=AA/S
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 6 AA/Gly/G/ NATREPLACE=AA/G
M  V30 BEGIN CTAB
M  V30 COUNTS 6 5 3 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.3363 0.5346 0.0 0
M  V30 2 C 0.9929 -0.1107 0.0 0
M  V30 3 O 1.0782 -1.289 0.0 0
M  V30 4 O 1.9709 0.552 0.0 0
M  V30 5 N -1.326 -0.1107 0.0 0
M  V30 6 H -2.3797 0.4238 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 4
M  V30 4 1 1 5
M  V30 5 1 5 6
M  V30 END BOND
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 0.526850 -0.267250 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 4) XBONDS=(1 3) BRKXYZ=(9 -0.489000 -0.331350 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(4 1 2 3 5) XBONDS=(2 3 5) BRKXYZ=(9 0.489000 0.331350 0-
M  V30 .000000 -0.526850 0.267250 0.000000 0.000000 0.000000 0.000000) LABEL=-
M  V30 G CLASS=AA SAP=(3 5 6 Al) SAP=(3 2 4 Br) NATREPLACE=AA/G
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 7 AA/Pro/P/ NATREPLACE=AA/P
M  V30 BEGIN CTAB
M  V30 COUNTS 9 9 3 0 0
M  V30 BEGIN ATOM
M  V30 1 C 0.0018 1.6555 0.0 0
M  V30 2 C -1.4799 1.889 0.0 0
M  V30 3 C -2.1599 0.5519 0.0 0
M  V30 4 N -1.0984 -0.5079 0.0 0
M  V30 5 C 0.2376 0.1741 0.0 0 CFG=2
M  V30 6 C 1.5717 -0.5079 0.0 0
M  V30 7 O 1.6336 -1.7063 0.0 0
M  V30 8 O 2.5787 0.1448 0.0 0
M  V30 9 H -1.2852 -1.6933 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 5 1 CFG=1
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 2 6 7
M  V30 8 1 6 8
M  V30 9 1 4 9
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 5)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 9) XBONDS=(1 9) BRKXYZ=(9 0.093400 0.592700 0.000000 -
M  V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=L-
M  V30 GRP
M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 8) BRKXYZ=(9 -0.503500 -0.326350 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(7 1 2 3 4 5 6 7) XBONDS=(2 9 8) BRKXYZ=(9 -0.093400 -0.-
M  V30 592700 0.000000 0.503500 0.326350 0.000000 0.000000 0.000000 0.000000)-
M  V30  LABEL=P CLASS=AA SAP=(3 4 9 Al) SAP=(3 6 8 Br) NATREPLACE=AA/P
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 8 AA/Arg/R/ NATREPLACE=AA/R
M  V30 BEGIN CTAB
M  V30 COUNTS 14 13 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.7718 -2.5891 0.0 0
M  V30 2 O 1.7732 -3.5337 0.0 0
M  V30 3 C 0.7483 -1.9994 0.0 0 CFG=1
M  V30 4 N -0.2752 -2.5891 0.0 0
M  V30 5 H -1.0932 -2.1168 0.0 0
M  V30 6 C 0.7464 -0.8182 0.0 0
M  V30 7 C -0.2771 -0.2284 0.0 0
M  V30 8 C -0.2789 0.9529 0.0 0
M  V30 9 N -1.3024 1.5426 0.0 0
M  V30 10 C -1.3042 2.7238 0.0 0
M  V30 11 N -0.4868 3.1971 0.0 0
M  V30 12 N -2.1227 3.1955 0.0 0
M  V30 13 O 2.5892 -2.1159 0.0 0
M  V30 14 H -0.4883 4.3786 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 1
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6 CFG=1
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 9 10
M  V30 10 1 10 11
M  V30 11 2 10 12
M  V30 12 1 1 13
M  V30 13 1 11 14
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409000 -0.236150 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 13) XBONDS=(1 12) BRKXYZ=(9 -0.408700 -0.236600 0.000-
M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
M  V30 ASS=LGRP
M  V30 3 SUP 3 ATOMS=(1 14) XBONDS=(1 13) BRKXYZ=(9 0.000750 -0.590750 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
M  V30 S=LGRP
M  V30 4 SUP 4 ATOMS=(11 1 2 3 4 6 7 8 9 10 11 12) XBONDS=(3 12 4 13) BRKXYZ=-
M  V30 (9 0.408700 0.236600 0.000000 -0.409000 0.236150 0.000000 0.000000 0.0-
M  V30 00000 0.000000) BRKXYZ=(9 -0.000750 0.590750 0.000000 0.000000 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000) LABEL=R CLASS=AA SAP=(3 4 5 Al)-
M  V30  SAP=(3 1 13 Br) SAP=(3 11 14 Cx) NATREPLACE=AA/R
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 9 AA/Cys/C/ NATREPLACE=AA/C
M  V30 BEGIN CTAB
M  V30 COUNTS 9 8 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.4457 -1.1333 0.0 0
M  V30 2 C 0.1453 -0.384 0.0 0 CFG=2
M  V30 3 C 0.143 1.1168 0.0 0
M  V30 4 S -1.1573 1.8661 0.0 0
M  V30 5 N -1.1551 -1.1333 0.0 0
M  V30 6 O 1.4475 -2.3333 0.0 0
M  V30 7 O 2.4842 -0.532 0.0 0
M  V30 8 H -2.1942 -0.5331 0.0 0
M  V30 9 H -1.1591 3.0661 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 6 1
M  V30 2 1 1 2
M  V30 3 1 1 7
M  V30 4 1 2 5
M  V30 5 1 2 3 CFG=1
M  V30 6 1 3 4
M  V30 7 1 5 8
M  V30 8 1 4 9
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 0.519550 -0.300100 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 7) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 0.000900 -0.600000 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 4 SUP 4 ATOMS=(6 1 2 3 4 5 6) XBONDS=(3 3 8 7) BRKXYZ=(9 0.519250 0.30-
M  V30 0650 0.000000 -0.000900 0.600000 0.000000 0.000000 0.000000 0.000000) -
M  V30 BRKXYZ=(9 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000 0.000-
M  V30 000 0.000000 0.000000) LABEL=C CLASS=AA SAP=(3 5 8 Al) SAP=(3 1 7 Br) -
M  V30 SAP=(3 4 9 Cx) NATREPLACE=AA/C
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 10 AA/Ala/A/ NATREPLACE=AA/A
M  V30 BEGIN CTAB
M  V30 COUNTS 7 6 3 0 0
M  V30 BEGIN ATOM
M  V30 1 N -1.2549 -0.392 0.0 0
M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
M  V30 3 C -0.3103 1.7393 0.0 0
M  V30 4 C 1.0523 -0.392 0.0 0
M  V30 5 O 1.0829 -1.5722 0.0 0
M  V30 6 O 2.0353 0.2633 0.0 0
M  V30 7 H -2.3334 0.0905 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 2 3 CFG=1
M  V30 3 1 2 4
M  V30 4 2 4 5
M  V30 5 1 4 6
M  V30 6 1 1 7
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 11 AA/Phe/F/ NATREPLACE=AA/F
M  V30 BEGIN CTAB
M  V30 COUNTS 13 13 3 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.2052 2.5398 0.0 0
M  V30 2 C -1.5064 3.286 0.0 0
M  V30 3 C -2.8032 2.5322 0.0 0
M  V30 4 C -2.7988 1.0322 0.0 0
M  V30 5 C -1.4976 0.2861 0.0 0
M  V30 6 C -0.2008 1.0398 0.0 0
M  V30 7 C 1.0995 0.2905 0.0 0
M  V30 8 C 1.1018 -1.2103 0.0 0 CFG=2
M  V30 9 N -0.1986 -1.9596 0.0 0
M  V30 10 C 2.4022 -1.9596 0.0 0
M  V30 11 O 2.404 -3.1596 0.0 0
M  V30 12 O 3.4407 -1.3583 0.0 0
M  V30 13 H -1.2376 -1.3593 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 6
M  V30 3 2 2 3
M  V30 4 1 3 4
M  V30 5 2 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 8 7 CFG=1
M  V30 9 1 8 9
M  V30 10 1 8 10
M  V30 11 2 10 11
M  V30 12 1 10 12
M  V30 13 1 9 13
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 8)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 13) XBONDS=(1 13) BRKXYZ=(9 0.519500 -0.300150 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
M  V30 S=LGRP
M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 -0.519250 -0.300650 0.000-
M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
M  V30 ASS=LGRP
M  V30 3 SUP 3 ATOMS=(11 1 2 3 4 5 6 7 8 9 10 11) XBONDS=(2 13 12) BRKXYZ=(9 -
M  V30 -0.519500 0.300150 0.000000 0.519250 0.300650 0.000000 0.000000 0.0000-
M  V30 00 0.000000) LABEL=F CLASS=AA SAP=(3 9 13 Al) SAP=(3 10 12 Br) NATREPL-
M  V30 ACE=AA/F
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 12 AA/Asn/N/ NATREPLACE=AA/N
M  V30 BEGIN CTAB
M  V30 COUNTS 11 10 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.8929 -1.4175 0.0 0
M  V30 2 O 1.8947 -2.5989 0.0 0
M  V30 3 C 0.6127 -0.6799 0.0 0 CFG=1
M  V30 4 N -0.6676 -1.4175 0.0 0
M  V30 5 H -1.6907 -0.8266 0.0 0
M  V30 6 C 0.6104 0.7978 0.0 0
M  V30 7 C -0.6698 1.5354 0.0 0
M  V30 8 N -1.6922 0.9434 0.0 0
M  V30 9 O -0.6716 2.7168 0.0 0
M  V30 10 O 2.9153 -0.8255 0.0 0
M  V30 11 H -2.5341 1.7724 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 1
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6 CFG=1
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 2 7 9
M  V30 9 1 1 10
M  V30 10 1 8 11
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511550 -0.295450 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 -0.511200 -0.296000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
M  V30 SS=LGRP
M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 0.420950 -0.414500 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
M  V30 S=LGRP
M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 6 7 8 9) XBONDS=(3 9 4 10) BRKXYZ=(9 0.511200-
M  V30  0.296000 0.000000 -0.511550 0.295450 0.000000 0.000000 0.000000 0.000-
M  V30 000) BRKXYZ=(9 -0.420950 0.414500 0.000000 0.000000 0.000000 0.000000 -
M  V30 0.000000 0.000000 0.000000) LABEL=N CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 1-
M  V30 0 Br) SAP=(3 8 11 Cx) NATREPLACE=AA/N
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 13 AA/Ile/I/ NATREPLACE=AA/I
M  V30 BEGIN CTAB
M  V30 COUNTS 10 9 3 0 0
M  V30 BEGIN ATOM
M  V30 1 C -1.2557 1.6681 0.0 0
M  V30 2 C 0.0245 0.9304 0.0 0 CFG=1
M  V30 3 C 0.0268 -0.5472 0.0 0 CFG=2
M  V30 4 N -1.2536 -1.2849 0.0 0
M  V30 5 H -2.2766 -0.694 0.0 0
M  V30 6 C 1.3069 -1.2849 0.0 0
M  V30 7 O 1.3086 -2.4664 0.0 0
M  V30 8 O 2.3294 -0.693 0.0 0
M  V30 9 C 1.047 1.5223 0.0 0
M  V30 10 C -1.2574 2.8495 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 3 2 CFG=1
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 2 9 CFG=3
M  V30 9 1 1 10
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 2 3)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 8) XBONDS=(1 7) BRKXYZ=(9 -0.511250 -0.295950 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 6 7 9 10) XBONDS=(2 4 7) BRKXYZ=(9 -0.511500 -
M  V30 0.295450 0.000000 0.511250 0.295950 0.000000 0.000000 0.000000 0.00000-
M  V30 0) LABEL=I CLASS=AA SAP=(3 4 5 Al) SAP=(3 6 8 Br) NATREPLACE=AA/I
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 14 AA/Lys/K/ NATREPLACE=AA/K
M  V30 BEGIN CTAB
M  V30 COUNTS 12 11 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.1478 -2.4874 0.0 0
M  V30 2 C 0.8474 -1.7382 0.0 0 CFG=2
M  V30 3 C 0.8451 -0.2373 0.0 0
M  V30 4 C -0.4553 0.5119 0.0 0
M  V30 5 C -0.4575 2.0128 0.0 0
M  V30 6 C -1.7579 2.7619 0.0 0
M  V30 7 N -1.7602 4.2628 0.0 0
M  V30 8 N -0.453 -2.4874 0.0 0
M  V30 9 O 2.1495 -3.6875 0.0 0
M  V30 10 O 3.1863 -1.8862 0.0 0
M  V30 11 H -1.4921 -1.8873 0.0 0
M  V30 12 H -2.8 4.8619 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 9 1
M  V30 2 1 1 2
M  V30 3 1 1 10
M  V30 4 1 2 8
M  V30 5 1 2 3 CFG=1
M  V30 6 1 3 4
M  V30 7 1 4 5
M  V30 8 1 5 6
M  V30 9 1 6 7
M  V30 10 1 8 11
M  V30 11 1 7 12
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 0.519550 -0.300050 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
M  V30 S=LGRP
M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300600 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
M  V30 SS=LGRP
M  V30 3 SUP 3 ATOMS=(1 12) XBONDS=(1 11) BRKXYZ=(9 0.519900 -0.299550 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
M  V30 S=LGRP
M  V30 4 SUP 4 ATOMS=(9 1 2 3 4 5 6 7 8 9) XBONDS=(3 3 11 10) BRKXYZ=(9 0.519-
M  V30 250 0.300600 0.000000 -0.519900 0.299550 0.000000 0.000000 0.000000 0.-
M  V30 000000) BRKXYZ=(9 -0.519550 0.300050 0.000000 0.000000 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000) LABEL=K CLASS=AA SAP=(3 8 11 Al) SAP=(3-
M  V30  1 10 Br) SAP=(3 7 12 Cx) NATREPLACE=AA/K
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 15 AA/Asp/D/ NATREPLACE=AA/D
M  V30 BEGIN CTAB
M  V30 COUNTS 11 10 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.631 -1.5578 0.0 0
M  V30 2 O 1.6327 -2.7392 0.0 0
M  V30 3 C 0.3507 -0.8201 0.0 0 CFG=1
M  V30 4 N -0.9295 -1.5578 0.0 0
M  V30 5 H -1.9525 -0.9669 0.0 0
M  V30 6 C 0.3485 0.6575 0.0 0
M  V30 7 C -0.9317 1.3952 0.0 0
M  V30 8 O -1.9542 0.8032 0.0 0
M  V30 9 O -0.9335 2.5766 0.0 0
M  V30 10 O 2.6534 -0.9658 0.0 0
M  V30 11 H 0.0851 3.1751 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 1
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6 CFG=1
M  V30 6 1 6 7
M  V30 7 2 7 8
M  V30 8 1 7 9
M  V30 9 1 1 10
M  V30 10 1 9 11
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.511500 -0.295450 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 -0.511200 -0.296000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLA-
M  V30 SS=LGRP
M  V30 3 SUP 3 ATOMS=(1 11) XBONDS=(1 10) BRKXYZ=(9 -0.509300 -0.299250 0.000-
M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLA-
M  V30 SS=LGRP
M  V30 4 SUP 4 ATOMS=(8 1 2 3 4 6 7 8 9) XBONDS=(3 9 4 10) BRKXYZ=(9 0.511200-
M  V30  0.296000 0.000000 -0.511500 0.295450 0.000000 0.000000 0.000000 0.000-
M  V30 000) BRKXYZ=(9 0.509300 0.299250 0.000000 0.000000 0.000000 0.000000 0-
M  V30 .000000 0.000000 0.000000) LABEL=D CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 10-
M  V30  Br) SAP=(3 9 11 Cx) NATREPLACE=AA/D
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 16 AA/Thr/T/ NATREPLACE=AA/T
M  V30 BEGIN CTAB
M  V30 COUNTS 10 9 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.0488 -1.2558 0.0 0
M  V30 2 O 1.0481 -2.4369 0.0 0
M  V30 3 C -0.2297 -0.5156 0.0 0 CFG=1
M  V30 4 N -1.5081 -1.2558 0.0 0
M  V30 5 H -2.5321 -0.6672 0.0 0
M  V30 6 C -0.2289 0.9614 0.0 0 CFG=2
M  V30 7 O 0.7944 1.551 0.0 0
M  V30 8 C -1.251 1.5531 0.0 0
M  V30 9 O 2.072 -0.6661 0.0 0
M  V30 10 H 0.7866 2.7318 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 1
M  V30 2 1 3 1
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6 CFG=1
M  V30 6 1 6 7 CFG=1
M  V30 7 1 6 8
M  V30 8 1 1 9
M  V30 9 1 7 10
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(2 3 6)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.512000 -0.294300 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 8) BRKXYZ=(9 -0.511600 -0.294850 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.003900 -0.590400 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
M  V30 =LGRP
M  V30 4 SUP 4 ATOMS=(7 1 2 3 4 6 7 8) XBONDS=(3 8 4 9) BRKXYZ=(9 0.511600 0.-
M  V30 294850 0.000000 -0.512000 0.294300 0.000000 0.000000 0.000000 0.000000-
M  V30 ) BRKXYZ=(9 -0.003900 0.590400 0.000000 0.000000 0.000000 0.000000 0.0-
M  V30 00000 0.000000 0.000000) LABEL=T CLASS=AA SAP=(3 4 5 Al) SAP=(3 1 9 Br-
M  V30 ) SAP=(3 7 10 Cx) NATREPLACE=AA/T
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 17 AA/Tyr/Y/ NATREPLACE=AA/Y
M  V30 BEGIN CTAB
M  V30 COUNTS 15 15 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.2957 -1.9502 0.0 0
M  V30 2 O 2.2972 -2.8951 0.0 0
M  V30 3 C 1.2718 -1.3602 0.0 0 CFG=1
M  V30 4 N 0.2479 -1.9502 0.0 0
M  V30 5 H -0.5703 -1.4776 0.0 0
M  V30 6 C 1.2701 -0.1785 0.0 0
M  V30 7 C 0.2461 0.4114 0.0 0
M  V30 8 C 0.2426 1.5925 0.0 0
M  V30 9 C -0.782 2.1801 0.0 0
M  V30 10 C -1.8031 1.5866 0.0 0
M  V30 11 C -1.7996 0.4055 0.0 0
M  V30 12 C -0.7751 -0.182 0.0 0
M  V30 13 O -2.6228 2.0566 0.0 0
M  V30 14 O 3.1134 -1.4768 0.0 0
M  V30 15 H -2.6319 3.2381 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 1
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6 CFG=1
M  V30 6 1 6 7
M  V30 7 1 8 7
M  V30 8 2 9 8
M  V30 9 1 10 9
M  V30 10 2 11 10
M  V30 11 2 12 7
M  V30 12 1 12 11
M  V30 13 1 10 13
M  V30 14 1 1 14
M  V30 15 1 13 15
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409100 -0.236300 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 14) XBONDS=(1 14) BRKXYZ=(9 -0.408850 -0.236700 0.000-
M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
M  V30 ASS=LGRP
M  V30 3 SUP 3 ATOMS=(1 15) XBONDS=(1 15) BRKXYZ=(9 0.004550 -0.590750 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
M  V30 S=LGRP
M  V30 4 SUP 4 ATOMS=(12 1 2 3 4 6 7 8 9 10 11 12 13) XBONDS=(3 14 4 15) BRKX-
M  V30 YZ=(9 0.408850 0.236700 0.000000 -0.409100 0.236300 0.000000 0.000000 -
M  V30 0.000000 0.000000) BRKXYZ=(9 -0.004550 0.590750 0.000000 0.000000 0.00-
M  V30 0000 0.000000 0.000000 0.000000 0.000000) LABEL=Y CLASS=AA SAP=(3 4 5 -
M  V30 Al) SAP=(3 1 14 Br) SAP=(3 13 15 Cx) NATREPLACE=AA/Y
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 18 AA/His/H/ NATREPLACE=AA/H
M  V30 BEGIN CTAB
M  V30 COUNTS 13 13 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.8978 -1.6508 0.0 0
M  V30 2 O 1.8993 -2.5957 0.0 0
M  V30 3 C 0.8739 -1.0609 0.0 0 CFG=1
M  V30 4 N -0.15 -1.6508 0.0 0
M  V30 5 H -0.9683 -1.1782 0.0 0
M  V30 6 C 0.872 0.1209 0.0 0
M  V30 7 C -0.1501 0.7098 0.0 0
M  V30 8 C -0.2771 1.8841 0.0 0
M  V30 9 N -1.433 2.1263 0.0 0
M  V30 10 C -2.0205 1.1016 0.0 0
M  V30 11 N -1.2277 0.2263 0.0 0
M  V30 12 O 2.7155 -1.1774 0.0 0
M  V30 13 H -2.0317 3.1449 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 1
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6 CFG=1
M  V30 6 1 6 7
M  V30 7 2 8 7
M  V30 8 1 9 8
M  V30 9 1 10 9
M  V30 10 1 11 7
M  V30 11 2 11 10
M  V30 12 1 1 12
M  V30 13 1 9 13
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409150 -0.236300 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 12) XBONDS=(1 12) BRKXYZ=(9 -0.408850 -0.236700 0.000-
M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
M  V30 ASS=LGRP
M  V30 3 SUP 3 ATOMS=(1 13) XBONDS=(1 13) BRKXYZ=(9 0.299350 -0.509300 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLAS-
M  V30 S=LGRP
M  V30 4 SUP 4 ATOMS=(10 1 2 3 4 6 7 8 9 10 11) XBONDS=(3 12 4 13) BRKXYZ=(9 -
M  V30 0.408850 0.236700 0.000000 -0.409150 0.236300 0.000000 0.000000 0.0000-
M  V30 00 0.000000) BRKXYZ=(9 -0.299350 0.509300 0.000000 0.000000 0.000000 0-
M  V30 .000000 0.000000 0.000000 0.000000) LABEL=H CLASS=AA SAP=(3 4 5 Al) SA-
M  V30 P=(3 1 12 Br) SAP=(3 9 13 Cx) NATREPLACE=AA/H
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 19 AA/Trp/W/ NATREPLACE=AA/W
M  V30 BEGIN CTAB
M  V30 COUNTS 17 18 4 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.0938 -2.3551 0.0 0
M  V30 2 O 2.0952 -3.3 0.0 0
M  V30 3 C 1.0698 -1.7652 0.0 0 CFG=1
M  V30 4 N 0.0459 -2.3551 0.0 0
M  V30 5 H -0.7723 -1.8826 0.0 0
M  V30 6 C 1.068 -0.5835 0.0 0
M  V30 7 C 0.0458 0.0055 0.0 0
M  V30 8 C -1.0319 -0.4779 0.0 0
M  V30 9 N -1.8246 0.3978 0.0 0
M  V30 10 C -1.237 1.4216 0.0 0
M  V30 11 C -0.081 1.1793 0.0 0
M  V30 12 C 0.7068 2.0591 0.0 0
M  V30 13 C 0.3387 3.1814 0.0 0
M  V30 14 C -0.8173 3.4238 0.0 0
M  V30 15 C -1.6051 2.5438 0.0 0
M  V30 16 O 2.9114 -1.8818 0.0 0
M  V30 17 H -3.0061 0.3887 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 2 1
M  V30 2 1 1 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 3 6 CFG=1
M  V30 6 1 6 7
M  V30 7 2 8 7
M  V30 8 1 9 8
M  V30 9 1 10 9
M  V30 10 1 11 7
M  V30 11 2 11 10
M  V30 12 1 11 12
M  V30 13 2 12 13
M  V30 14 1 13 14
M  V30 15 1 15 10
M  V30 16 2 14 15
M  V30 17 1 1 16
M  V30 18 1 9 17
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 3)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 5) XBONDS=(1 4) BRKXYZ=(9 0.409100 -0.236250 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 16) XBONDS=(1 17) BRKXYZ=(9 -0.408800 -0.236650 0.000-
M  V30 000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CL-
M  V30 ASS=LGRP
M  V30 3 SUP 3 ATOMS=(1 17) XBONDS=(1 18) BRKXYZ=(9 0.590750 0.004550 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
M  V30 =LGRP
M  V30 4 SUP 4 ATOMS=(14 1 2 3 4 6 7 8 9 10 11 12 13 14 15) XBONDS=(3 17 4 18-
M  V30 ) BRKXYZ=(9 0.408800 0.236650 0.000000 -0.409100 0.236250 0.000000 0.0-
M  V30 00000 0.000000 0.000000) BRKXYZ=(9 -0.590750 -0.004550 0.000000 0.0000-
M  V30 00 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=W CLASS=AA SAP=-
M  V30 (3 4 5 Al) SAP=(3 1 16 Br) SAP=(3 9 17 Cx) NATREPLACE=AA/W
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 20 AA/Met/M/ NATREPLACE=AA/M
M  V30 BEGIN CTAB
M  V30 COUNTS 10 9 3 0 0
M  V30 BEGIN ATOM
M  V30 1 C 1.6657 -1.56 0.0 0
M  V30 2 N -0.9351 -1.56 0.0 0
M  V30 3 O 1.6675 -2.76 0.0 0
M  V30 4 C 0.3653 -0.8107 0.0 0 CFG=1
M  V30 5 C 0.363 0.6901 0.0 0
M  V30 6 C -0.9373 1.4394 0.0 0
M  V30 7 C -1.9794 3.5393 0.0 0
M  V30 8 S -0.9396 2.9402 0.0 0
M  V30 9 O 2.7042 -0.9587 0.0 0
M  V30 10 H -1.9742 -0.9598 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 3 1
M  V30 2 1 1 4
M  V30 3 1 1 9
M  V30 4 1 4 2
M  V30 5 1 4 5 CFG=1
M  V30 6 1 5 6
M  V30 7 1 6 8
M  V30 8 1 8 7
M  V30 9 1 2 10
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 4)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 10) XBONDS=(1 9) BRKXYZ=(9 0.519550 -0.300100 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS-
M  V30 =LGRP
M  V30 2 SUP 2 ATOMS=(1 9) XBONDS=(1 3) BRKXYZ=(9 -0.519250 -0.300650 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(8 1 2 3 4 5 6 7 8) XBONDS=(2 3 9) BRKXYZ=(9 0.519250 0.-
M  V30 300650 0.000000 -0.519550 0.300100 0.000000 0.000000 0.000000 0.000000-
M  V30 ) LABEL=M CLASS=AA SAP=(3 2 10 Al) SAP=(3 1 9 Br) NATREPLACE=AA/M
M  V30 END SGROUP
M  V30 END CTAB
M  V30 TEMPLATE 21 AA/Ala/A/ NATREPLACE=AA/A
M  V30 BEGIN CTAB
M  V30 COUNTS 7 6 3 0 0
M  V30 BEGIN ATOM
M  V30 1 N -1.2549 -0.392 0.0 0
M  V30 2 C -0.272 0.2633 0.0 0 CFG=1
M  V30 3 C -0.3103 1.7393 0.0 0
M  V30 4 C 1.0523 -0.392 0.0 0
M  V30 5 O 1.0829 -1.5722 0.0 0
M  V30 6 O 2.0353 0.2633 0.0 0
M  V30 7 H -2.3334 0.0905 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 2 1
M  V30 2 1 2 3 CFG=1
M  V30 3 1 2 4
M  V30 4 2 4 5
M  V30 5 1 4 6
M  V30 6 1 1 7
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 2)
M  V30 END COLLECTION
M  V30 BEGIN SGROUP
M  V30 1 SUP 1 ATOMS=(1 7) XBONDS=(1 6) BRKXYZ=(9 0.539250 -0.241250 0.000000-
M  V30  0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=H CLASS=-
M  V30 LGRP
M  V30 2 SUP 2 ATOMS=(1 6) XBONDS=(1 5) BRKXYZ=(9 -0.491500 -0.327650 0.00000-
M  V30 0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) LABEL=OH CLAS-
M  V30 S=LGRP
M  V30 3 SUP 3 ATOMS=(5 1 2 3 4 5) XBONDS=(2 6 5) BRKXYZ=(9 -0.539250 0.24125-
M  V30 0 0.000000 0.491500 0.327650 0.000000 0.000000 0.000000 0.000000) LABE-
M  V30 L=A CLASS=AA SAP=(3 1 7 Al) SAP=(3 4 6 Br) NATREPLACE=AA/A
M  V30 END SGROUP
M  V30 END CTAB
M  V30 END TEMPLATE
M  END