; HyperChem file created by BALL
;
forcefield AMBER
sys 0
mol 1 
res 1 ALA 1 - -
atom 1 N N ** - 0 0 1.335 0 4 2 s 3 s 11 s 12 s 
atom 2 1H H ** - 0 0.952 1.672 0 1 1 s 
atom 3 CA C ** - 0 -0.683 1.818 -1.183 4 1 s 4 s 5 s 7 s 
atom 4 HA H ** - 0 -0.135 1.43 -2.042 1 3 s 
atom 5 C C ** - 0 -0.705 3.339 -1.221 3 3 s 13 s 6 a 
atom 6 O O ** - 0 -0.184 3.993 -0.319 1 5 a 
atom 7 CB C ** - 0 -2.127 1.33 -1.221 4 3 s 8 s 9 s 10 s 
atom 8 1HB H ** - 0 -2.615 1.708 -2.119 1 7 s 
atom 9 2HB H ** - 0 -2.143 0.24 -1.23 1 7 s 
atom 10 3HB H ** - 0 -2.657 1.694 -0.34 1 7 s 
atom 11 2H H ** - 0 -0.476 1.672 0.825 1 1 s 
atom 12 3H H ** - 0 0 0.325 0 1 1 s 
endres 1
res 2 GLY 2 - -
atom 13 N N ** - 0 -1.31 3.903 -2.269 3 5 s 15 s 14 s 
atom 14 H H ** - 0 -1.718 3.31 -2.976 1 13 s 
atom 15 CA C ** - 0 -1.397 5.341 -2.42 4 13 s 16 s 17 s 18 s 
atom 16 1HA H ** - 0 -1.926 5.765 -1.566 1 15 s 
atom 17 2HA H ** - 0 -0.389 5.752 -2.471 1 15 s 
atom 18 C C ** - 0 -2.137 5.696 -3.702 3 15 s 20 s 19 a 
atom 19 O O ** - 0 -2.564 4.811 -4.441 1 18 a 
endres 2
res 3 SER 3 - -
atom 20 N N ** - 0 -2.289 6.996 -3.964 3 18 s 22 s 21 s 
atom 21 H H ** - 0 -1.915 7.674 -3.316 1 20 s 
atom 22 CA C ** - 0 -2.975 7.462 -5.153 4 20 s 23 s 24 s 26 s 
atom 23 HA H ** - 0 -2.424 7.069 -6.007 1 22 s 
atom 24 C C ** - 0 -3.006 8.983 -5.206 3 22 s 31 s 25 a 
atom 25 O O ** - 0 -2.489 9.649 -4.312 1 24 a 
atom 26 CB C ** - 0 -4.416 6.965 -5.185 4 22 s 29 s 27 s 28 s 
atom 27 1HB H ** - 0 -4.425 5.875 -5.183 1 26 s 
atom 28 2HB H ** - 0 -4.948 7.335 -4.308 1 26 s 
atom 29 OG O ** - 0 -5.059 7.445 -6.369 2 26 s 30 s 
atom 30 HG H ** - 0 -5.967 7.132 -6.389 1 29 s 
endres 3
res 4 THR 4 - -
atom 31 N N ** - 0 -3.614 9.532 -6.26 3 24 s 33 s 32 s 
atom 32 H H ** - 0 -4.019 8.929 -6.962 1 31 s 
atom 33 CA C ** - 0 -3.71 10.968 -6.427 4 31 s 34 s 35 s 37 s 
atom 34 HA H ** - 0 -4.256 11.348 -5.563 1 33 s 
atom 35 C C ** - 0 -4.45 11.323 -7.709 3 33 s 45 s 36 a 
atom 36 O O ** - 0 -4.877 10.438 -8.448 1 35 a 
atom 37 CB C ** - 0 -2.327 11.607 -6.495 4 33 s 39 s 41 s 38 s 
atom 38 HB H ** - 0 -2.43 12.684 -6.62 1 37 s 
atom 39 OG1 O ** - 0 -1.607 11.065 -7.605 2 37 s 40 s 
atom 40 HG1 H ** - 0 -0.736 11.467 -7.648 1 39 s 
atom 41 CG2 C ** - 0 -1.568 11.315 -5.205 4 37 s 42 s 43 s 44 s 
atom 42 1HG2 H ** - 0 -0.58 11.771 -5.254 1 41 s 
atom 43 2HG2 H ** - 0 -2.118 11.728 -4.359 1 41 s 
atom 44 3HG2 H ** - 0 -1.465 10.237 -5.08 1 41 s 
endres 4
res 5 LEU 5 - -
atom 45 N N ** - 0 -4.602 12.623 -7.971 3 35 s 47 s 46 s 
atom 46 H H ** - 0 -4.228 13.301 -7.323 1 45 s 
atom 47 CA C ** - 0 -5.288 13.089 -9.159 4 45 s 48 s 49 s 51 s 
atom 48 HA H ** - 0 -4.737 12.696 -10.014 1 47 s 
atom 49 C C ** - 0 -5.319 14.61 -9.213 3 47 s 64 s 50 a 
atom 50 O O ** - 0 -4.803 15.276 -8.319 1 49 a 
atom 51 CB C ** - 0 -6.729 12.592 -9.192 4 47 s 54 s 52 s 53 s 
atom 52 1HB H ** - 0 -6.738 11.502 -9.189 1 51 s 
atom 53 2HB H ** - 0 -7.261 12.962 -8.315 1 51 s 
atom 54 CG C ** - 0 -7.415 13.103 -10.454 4 51 s 55 s 56 s 60 s 
atom 55 HG H ** - 0 -7.407 14.193 -10.457 1 54 s 
atom 56 CD1 C ** - 0 -6.671 12.586 -11.681 4 54 s 57 s 58 s 59 s 
atom 57 1HD1 H ** - 0 -7.161 12.951 -12.584 1 56 s 
atom 58 2HD1 H ** - 0 -5.641 12.941 -11.658 1 56 s 
atom 59 3HD1 H ** - 0 -6.68 11.496 -11.679 1 56 s 
atom 60 CD2 C ** - 0 -8.856 12.606 -10.487 4 54 s 61 s 62 s 63 s 
atom 61 1HD2 H ** - 0 -9.347 12.971 -11.389 1 60 s 
atom 62 2HD2 H ** - 0 -8.865 11.516 -10.484 1 60 s 
atom 63 3HD2 H ** - 0 -9.388 12.976 -9.61 1 60 s 
endres 5
res 6 ILE 6 - -
atom 64 N N ** - 0 -5.927 15.158 -10.267 3 49 s 66 s 65 s 
atom 65 H H ** - 0 -6.332 14.555 -10.968 1 64 s 
atom 66 CA C ** - 0 -6.024 16.595 -10.433 4 64 s 67 s 68 s 70 s 
atom 67 HA H ** - 0 -6.575 16.998 -9.584 1 66 s 
atom 68 C C ** - 0 -6.764 16.949 -11.715 3 66 s 83 s 69 a 
atom 69 O O ** - 0 -7.19 16.065 -12.454 1 68 a 
atom 70 CB C ** - 0 -4.623 17.194 -10.497 4 66 s 72 s 75 s 71 s 
atom 71 HB H ** - 0 -4.089 16.97 -9.574 1 70 s 
atom 72 CG1 C ** - 0 -4.724 18.705 -10.673 4 70 s 79 s 73 s 74 s 
atom 73 1HG1 H ** - 0 -5.257 18.929 -11.597 1 72 s 
atom 74 2HG1 H ** - 0 -5.264 19.134 -9.828 1 72 s 
atom 75 CG2 C ** - 0 -3.867 16.595 -11.679 4 70 s 76 s 77 s 78 s 
atom 76 1HG2 H ** - 0 -2.866 17.023 -11.724 1 75 s 
atom 77 2HG2 H ** - 0 -3.795 15.514 -11.553 1 75 s 
atom 78 3HG2 H ** - 0 -4.4 16.818 -12.602 1 75 s 
atom 79 CD1 C ** - 0 -3.323 19.305 -10.737 4 72 s 80 s 81 s 82 s 
atom 80 1HD1 H ** - 0 -3.395 20.385 -10.862 1 79 s 
atom 81 2HD1 H ** - 0 -2.79 19.081 -9.813 1 79 s 
atom 82 3HD1 H ** - 0 -2.783 18.876 -11.581 1 79 s 
endres 6
res 7 VAL 7 - -
atom 83 N N ** - 0 -6.915 18.249 -11.978 3 68 s 85 s 84 s 
atom 84 H H ** - 0 -6.541 18.927 -11.33 1 83 s 
atom 85 CA C ** - 0 -7.601 18.716 -13.166 4 83 s 86 s 87 s 89 s 
atom 86 HA H ** - 0 -7.051 18.322 -14.02 1 85 s 
atom 87 C C ** - 0 -7.632 20.236 -13.22 3 85 s 99 s 88 a 
atom 88 O O ** - 0 -7.116 20.903 -12.325 1 87 a 
atom 89 CB C ** - 0 -9.043 18.219 -13.198 4 85 s 91 s 95 s 90 s 
atom 90 HB H ** - 0 -9.051 17.129 -13.196 1 89 s 
atom 91 CG1 C ** - 0 -9.786 18.736 -11.971 4 89 s 92 s 93 s 94 s 
atom 92 1HG1 H ** - 0 -10.816 18.381 -11.995 1 91 s 
atom 93 2HG1 H ** - 0 -9.296 18.37 -11.069 1 91 s 
atom 94 3HG1 H ** - 0 -9.777 19.826 -11.974 1 91 s 
atom 95 CG2 C ** - 0 -9.728 18.73 -14.461 4 89 s 96 s 97 s 98 s 
atom 96 1HG2 H ** - 0 -10.759 18.375 -14.484 1 95 s 
atom 97 2HG2 H ** - 0 -9.72 19.82 -14.463 1 95 s 
atom 98 3HG2 H ** - 0 -9.197 18.36 -15.338 1 95 s 
endres 7
res 8 ASN 8 - -
atom 99 N N ** - 0 -8.241 20.785 -14.274 3 87 s 101 s 100 s 
atom 100 H H ** - 0 -8.646 20.182 -14.975 1 99 s 
atom 101 CA C ** - 0 -8.337 22.221 -14.44 4 99 s 102 s 103 s 105 s 
atom 102 HA H ** - 0 -8.882 22.601 -13.576 1 101 s 
atom 103 C C ** - 0 -9.077 22.576 -15.722 3 101 s 113 s 104 a 
atom 104 O O ** - 0 -9.504 21.691 -16.461 1 103 a 
atom 105 CB C ** - 0 -6.954 22.86 -14.509 4 101 s 108 s 106 s 107 s 
atom 106 1HB H ** - 0 -6.404 22.636 -13.594 1 105 s 
atom 107 2HB H ** - 0 -6.428 22.448 -15.37 1 105 s 
atom 108 CG C ** - 0 -7.055 24.368 -14.684 3 105 s 110 s 109 d 
atom 109 OD1 O ** - 0 -8.153 24.916 -14.751 1 108 d 
atom 110 ND2 N ** - 0 -5.903 25.04 -14.757 3 108 s 111 s 112 s 
atom 111 1HD2 H ** - 0 -5.027 24.542 -14.696 1 110 s 
atom 112 2HD2 H ** - 0 -5.914 26.043 -14.873 1 110 s 
endres 8
res 9 GLN 9 - -
atom 113 N N ** - 0 -9.229 23.876 -15.985 3 103 s 115 s 114 s 
atom 114 H H ** - 0 -8.854 24.554 -15.336 1 113 s 
atom 115 CA C ** - 0 -9.914 24.342 -17.173 4 113 s 116 s 117 s 119 s 
atom 116 HA H ** - 0 -9.364 23.949 -18.027 1 115 s 
atom 117 C C ** - 0 -9.945 25.863 -17.226 3 115 s 130 s 118 a 
atom 118 O O ** - 0 -9.429 26.529 -16.332 1 117 a 
atom 119 CB C ** - 0 -11.356 23.845 -17.205 4 115 s 122 s 120 s 121 s 
atom 120 1HB H ** - 0 -11.365 22.755 -17.203 1 119 s 
atom 121 2HB H ** - 0 -11.887 24.215 -16.328 1 119 s 
atom 122 CG C ** - 0 -12.042 24.356 -18.468 4 119 s 125 s 123 s 124 s 
atom 123 1HG H ** - 0 -12.017 25.446 -18.479 1 122 s 
atom 124 2HG H ** - 0 -11.508 23.962 -19.332 1 122 s 
atom 125 CD C ** - 0 -13.486 23.881 -18.538 3 122 s 127 s 126 d 
atom 126 OE1 O ** - 0 -13.955 23.178 -17.645 1 125 d 
atom 127 NE2 N ** - 0 -14.191 24.267 -19.603 3 125 s 128 s 129 s 
atom 128 1HE2 H ** - 0 -13.758 24.845 -20.309 1 127 s 
atom 129 2HE2 H ** - 0 -15.154 23.979 -19.699 1 127 s 
endres 9
res 10 ARG 10 - -
atom 130 N N ** - 0 -10.554 26.412 -18.28 3 117 s 132 s 131 s 
atom 131 H H ** - 0 -10.959 25.808 -18.982 1 130 s 
atom 132 CA C ** - 0 -10.65 27.848 -18.447 4 130 s 133 s 134 s 136 s 
atom 133 HA H ** - 0 -11.195 28.228 -17.583 1 132 s 
atom 134 C C ** - 0 -11.39 28.202 -19.729 3 132 s 154 s 135 a 
atom 135 O O ** - 0 -11.817 27.318 -20.468 1 134 a 
atom 136 CB C ** - 0 -9.267 28.486 -18.515 4 132 s 139 s 137 s 138 s 
atom 137 1HB H ** - 0 -8.724 28.278 -17.593 1 136 s 
atom 138 2HB H ** - 0 -8.718 28.073 -19.361 1 136 s 
atom 139 CG C ** - 0 -9.411 29.994 -18.691 4 136 s 142 s 140 s 141 s 
atom 140 1HG H ** - 0 -9.954 30.203 -19.613 1 139 s 
atom 141 2HG H ** - 0 -9.961 30.407 -17.845 1 139 s 
atom 142 CD C ** - 0 -8.028 30.633 -18.759 4 139 s 145 s 143 s 144 s 
atom 143 1HD H ** - 0 -7.479 30.41 -17.844 1 142 s 
atom 144 2HD H ** - 0 -7.501 30.221 -19.62 1 142 s 
atom 145 NE N ** - 0 -8.129 32.1 -18.929 3 142 s 147 s 146 s 
atom 146 HE H ** - 0 -9.047 32.517 -18.981 1 145 s 
atom 147 CZ C ** - 0 -7.066 32.894 -19.017 3 145 s 148 a 151 a 
atom 148 NH1 N ** - 0 -5.825 32.419 -18.957 3 147 a 150 s 149 s 
atom 149 1HH1 H ** - 0 -5.672 31.427 -18.842 1 148 s 
atom 150 2HH1 H ** - 0 -5.041 33.052 -19.027 1 148 s 
atom 151 NH2 N ** - 0 -7.271 34.199 -19.169 3 147 a 153 s 152 s 
atom 152 1HH2 H ** - 0 -8.215 34.556 -19.214 1 151 s 
atom 153 2HH2 H ** - 0 -6.483 34.826 -19.238 1 151 s 
endres 10
res 11 HIS 11 - -
atom 154 N N ** - 0 -11.542 29.502 -19.991 3 134 s 156 s 155 s 
atom 155 H H ** - 0 -11.168 30.181 -19.343 1 154 s 
atom 156 CA C ** - 0 -12.228 29.969 -21.179 4 154 s 157 s 158 s 160 s 
atom 157 HA H ** - 0 -11.677 29.575 -22.034 1 156 s 
atom 158 C C ** - 0 -12.259 31.489 -21.233 3 156 s 172 s 159 a 
atom 159 O O ** - 0 -11.742 32.156 -20.339 1 158 a 
atom 160 CB C ** - 0 -13.669 29.472 -21.212 4 156 s 163 s 161 s 162 s 
atom 161 1HB H ** - 0 -13.68 28.384 -21.143 1 160 s 
atom 162 2HB H ** - 0 -14.158 29.933 -20.353 1 160 s 
atom 163 CG C ** - 0 -14.468 29.908 -22.417 3 160 s 166 a 164 a 
atom 164 ND1 N ** - 0 -15.796 29.538 -22.594 3 163 a 168 a 165 s 
atom 165 HD1 H ** - 0 -16.341 28.966 -21.965 1 164 s 
atom 166 CD2 C ** - 0 -14.13 30.672 -23.49 3 163 a 170 a 167 s 
atom 167 HD2 H ** - 0 -13.163 31.135 -23.684 1 166 s 
atom 168 CE1 C ** - 0 -16.219 30.066 -23.727 3 164 a 170 a 169 s 
atom 169 HE1 H ** - 0 -17.221 29.955 -24.142 1 168 s 
atom 170 NE2 N ** - 0 -15.24 30.744 -24.273 3 166 a 168 a 171 s 
atom 171 HE2 H ** - 0 -15.3 31.246 -25.148 1 170 s 
endres 11
res 12 TRP 12 - -
atom 172 N N ** - 0 -12.867 32.038 -22.287 3 158 s 174 s 173 s 
atom 173 H H ** - 0 -13.272 31.435 -22.988 1 172 s 
atom 174 CA C ** - 0 -12.963 33.474 -22.454 4 172 s 175 s 176 s 178 s 
atom 175 HA H ** - 0 -13.508 33.854 -21.589 1 174 s 
atom 176 C C ** - 0 -13.703 33.829 -23.735 3 174 s 196 s 177 a 
atom 177 O O ** - 0 -14.13 32.944 -24.474 1 176 a 
atom 178 CB C ** - 0 -11.58 34.113 -22.522 4 174 s 181 s 179 s 180 s 
atom 179 1HB H ** - 0 -11.014 33.85 -21.629 1 178 s 
atom 180 2HB H ** - 0 -11.116 33.712 -23.424 1 178 s 
atom 181 CG C ** - 0 -11.578 35.613 -22.696 3 178 s 182 a 184 a 
atom 182 CD1 C ** - 0 -10.506 36.413 -22.784 3 181 a 185 a 183 s 
atom 183 HD1 H ** - 0 -9.462 36.104 -22.744 1 182 s 
atom 184 CD2 C ** - 0 -12.687 36.462 -22.798 3 181 a 187 a 188 a 
atom 185 NE1 N ** - 0 -10.993 37.748 -22.941 3 182 a 187 a 186 s 
atom 186 HE1 H ** - 0 -10.42 38.574 -23.034 1 185 s 
atom 187 CE2 C ** - 0 -12.303 37.727 -22.943 3 184 a 185 a 190 a 
atom 188 CE3 C ** - 0 -14.052 36.151 -22.768 3 184 a 192 a 189 s 
atom 189 HE3 H ** - 0 -14.399 35.125 -22.65 1 188 s 
atom 190 CZ2 C ** - 0 -13.182 38.809 -23.072 3 187 a 194 a 191 s 
atom 191 HZ2 H ** - 0 -12.826 39.832 -23.189 1 190 s 
atom 192 CZ3 C ** - 0 -14.956 37.225 -22.895 3 188 a 194 a 193 s 
atom 193 HZ3 H ** - 0 -16.027 37.02 -22.876 1 192 s 
atom 194 CH2 C ** - 0 -14.537 38.5 -23.041 3 190 a 192 a 195 s 
atom 195 HH2 H ** - 0 -15.272 39.299 -23.137 1 194 s 
endres 12
res 13 PHE 13 - -
atom 196 N N ** - 0 -13.855 35.129 -23.998 3 176 s 198 s 197 s 
atom 197 H H ** - 0 -13.481 35.807 -23.35 1 196 s 
atom 198 CA C ** - 0 -14.541 35.595 -25.186 4 196 s 199 s 200 s 202 s 
atom 199 HA H ** - 0 -13.99 35.202 -26.041 1 198 s 
atom 200 C C ** - 0 -14.572 37.116 -25.24 3 198 s 216 s 201 a 
atom 201 O O ** - 0 -14.055 37.782 -24.345 1 200 a 
atom 202 CB C ** - 0 -15.982 35.098 -25.218 4 198 s 205 s 203 s 204 s 
atom 203 1HB H ** - 0 -15.993 34.011 -25.15 1 202 s 
atom 204 2HB H ** - 0 -16.471 35.559 -24.36 1 202 s 
atom 205 CG C ** - 0 -16.781 35.535 -26.424 3 202 s 206 a 208 a 
atom 206 CD1 C ** - 0 -18.116 35.138 -26.559 3 205 a 210 a 207 s 
atom 207 HD1 H ** - 0 -18.58 34.514 -25.795 1 206 s 
atom 208 CD2 C ** - 0 -16.185 36.336 -27.405 3 205 a 212 a 209 s 
atom 209 HD2 H ** - 0 -15.146 36.645 -27.299 1 208 s 
atom 210 CE1 C ** - 0 -18.857 35.542 -27.677 3 206 a 214 a 211 s 
atom 211 HE1 H ** - 0 -19.897 35.233 -27.782 1 210 s 
atom 212 CE2 C ** - 0 -16.926 36.74 -28.522 3 208 a 214 a 213 s 
atom 213 HE2 H ** - 0 -16.462 37.364 -29.287 1 212 s 
atom 214 CZ C ** - 0 -18.261 36.343 -28.658 3 210 a 212 a 215 s 
atom 215 HZ H ** - 0 -18.838 36.658 -29.528 1 214 s 
endres 13
res 14 TYR 14 - -
atom 216 N N ** - 0 -15.18 37.665 -26.294 3 200 s 218 s 217 s 
atom 217 H H ** - 0 -15.585 37.062 -26.995 1 216 s 
atom 218 CA C ** - 0 -15.277 39.101 -26.46 4 216 s 219 s 220 s 222 s 
atom 219 HA H ** - 0 -15.822 39.481 -25.596 1 218 s 
atom 220 C C ** - 0 -16.017 39.456 -27.742 3 218 s 237 s 221 a 
atom 221 O O ** - 0 -16.443 38.571 -28.481 1 220 a 
atom 222 CB C ** - 0 -13.893 39.74 -26.529 4 218 s 225 s 223 s 224 s 
atom 223 1HB H ** - 0 -13.351 39.531 -25.607 1 222 s 
atom 224 2HB H ** - 0 -13.344 39.327 -27.375 1 222 s 
atom 225 CG C ** - 0 -14.036 41.233 -26.702 3 222 s 226 a 228 a 
atom 226 CD1 C ** - 0 -12.896 42.04 -26.791 3 225 a 230 a 227 s 
atom 227 HD1 H ** - 0 -11.904 41.59 -26.735 1 226 s 
atom 228 CD2 C ** - 0 -15.31 41.81 -26.774 3 225 a 232 a 229 s 
atom 229 HD2 H ** - 0 -16.198 41.182 -26.705 1 228 s 
atom 230 CE1 C ** - 0 -13.028 43.424 -26.952 3 226 a 234 a 231 s 
atom 231 HE1 H ** - 0 -12.14 44.052 -27.021 1 230 s 
atom 232 CE2 C ** - 0 -15.442 43.195 -26.935 3 228 a 234 a 233 s 
atom 233 HE2 H ** - 0 -16.434 43.644 -26.991 1 232 s 
atom 234 CZ C ** - 0 -14.302 44.002 -27.024 3 230 a 232 a 235 s 
atom 235 OH O ** - 0 -14.43 45.346 -27.18 2 234 s 236 s 
atom 236 HH H ** - 0 -13.586 45.801 -27.229 1 235 s 
endres 14
res 15 GLU 15 - -
atom 237 N N ** - 0 -16.168 40.756 -28.005 3 220 s 239 s 238 s 
atom 238 H H ** - 0 -15.794 41.434 -27.357 1 237 s 
atom 239 CA C ** - 0 -16.854 41.222 -29.193 4 237 s 240 s 241 s 243 s 
atom 240 HA H ** - 0 -16.303 40.828 -30.047 1 239 s 
atom 241 C C ** - 0 -16.885 42.743 -29.246 3 239 s 252 s 242 a 
atom 242 O O ** - 0 -16.369 43.409 -28.352 1 241 a 
atom 243 CB C ** - 0 -18.296 40.725 -29.225 4 239 s 246 s 244 s 245 s 
atom 244 1HB H ** - 0 -18.304 39.635 -29.223 1 243 s 
atom 245 2HB H ** - 0 -18.827 41.095 -28.348 1 243 s 
atom 246 CG C ** - 0 -18.974 41.231 -30.475 4 243 s 249 s 247 s 248 s 
atom 247 1HG H ** - 0 -18.966 42.321 -30.478 1 246 s 
atom 248 2HG H ** - 0 -18.443 40.862 -31.352 1 246 s 
atom 249 CD C ** - 0 -20.418 40.734 -30.508 3 246 s 250 a 251 a 
atom 250 OE1 O ** - 0 -21.291 41.465 -29.969 1 249 a 
atom 251 OE2 O ** - 0 -20.633 39.627 -31.071 1 249 a 
endres 15
res 16 ASP 16 - -
atom 252 N N ** - 0 -17.494 43.291 -30.3 3 241 s 254 s 253 s 
atom 253 H H ** - 0 -17.899 42.688 -31.002 1 252 s 
atom 254 CA C ** - 0 -17.59 44.728 -30.467 4 252 s 255 s 256 s 258 s 
atom 255 HA H ** - 0 -18.135 45.107 -29.603 1 254 s 
atom 256 C C ** - 0 -18.33 45.082 -31.749 3 254 s 264 s 257 a 
atom 257 O O ** - 0 -18.756 44.198 -32.488 1 256 a 
atom 258 CB C ** - 0 -16.207 45.366 -30.536 4 254 s 261 s 259 s 260 s 
atom 259 1HB H ** - 0 -15.664 45.158 -29.613 1 258 s 
atom 260 2HB H ** - 0 -15.657 44.953 -31.382 1 258 s 
atom 261 CG C ** - 0 -16.351 46.876 -30.711 3 258 s 262 a 263 a 
atom 262 OD1 O ** - 0 -16.41 47.575 -29.664 1 261 a 
atom 263 OD2 O ** - 0 -16.401 47.317 -31.89 1 261 a 
endres 16
res 17 LYS 17 - -
atom 264 N N ** - 0 -18.481 46.382 -32.011 3 256 s 266 s 265 s 
atom 265 H H ** - 0 -18.107 47.06 -31.363 1 264 s 
atom 266 CA C ** - 0 -19.167 46.848 -33.2 4 264 s 267 s 268 s 270 s 
atom 267 HA H ** - 0 -18.617 46.455 -34.054 1 266 s 
atom 268 C C ** - 0 -19.198 48.369 -33.253 3 266 s 286 s 269 a 
atom 269 O O ** - 0 -18.682 49.036 -32.359 1 268 a 
atom 270 CB C ** - 0 -20.609 46.352 -33.232 4 266 s 273 s 271 s 272 s 
atom 271 1HB H ** - 0 -20.617 45.262 -33.229 1 270 s 
atom 272 2HB H ** - 0 -21.14 46.721 -32.355 1 270 s 
atom 273 CG C ** - 0 -21.294 46.863 -34.495 4 270 s 276 s 274 s 275 s 
atom 274 1HG H ** - 0 -21.286 47.953 -34.497 1 273 s 
atom 275 2HG H ** - 0 -20.763 46.493 -35.372 1 273 s 
atom 276 CD C ** - 0 -22.736 46.366 -34.527 4 273 s 279 s 277 s 278 s 
atom 277 1HD H ** - 0 -22.745 45.276 -34.525 1 276 s 
atom 278 2HD H ** - 0 -23.267 46.735 -33.65 1 276 s 
atom 279 CE C ** - 0 -23.421 46.877 -35.79 4 276 s 282 s 280 s 281 s 
atom 280 1HE H ** - 0 -23.413 47.967 -35.792 1 279 s 
atom 281 2HE H ** - 0 -22.89 46.507 -36.667 1 279 s 
atom 282 NZ N ** - 0 -24.811 46.398 -35.821 4 279 s 283 s 284 s 285 s 
atom 283 1HZ H ** - 0 -25.265 46.736 -36.657 1 282 s 
atom 284 2HZ H ** - 0 -24.819 45.388 -35.819 1 282 s 
atom 285 3HZ H ** - 0 -25.303 46.74 -35.008 1 282 s 
endres 17
res 18 PRO 18 - -
atom 286 N N ** - 0 -19.806 48.927 -34.305 3 268 s 287 s 297 s 
atom 287 CA C ** - 0 -19.886 50.371 -34.444 4 286 s 288 s 289 s 291 s 
atom 288 HA H ** - 0 -18.936 50.818 -34.149 1 287 s 
atom 289 C C ** - 0 -21.005 50.943 -33.585 3 287 s 300 s 290 a 
atom 290 O O ** - 0 -21.701 50.203 -32.894 1 289 a 
atom 291 CB C ** - 0 -20.155 50.722 -35.877 4 287 s 294 s 292 s 293 s 
atom 292 1HB H ** - 0 -21.093 51.273 -35.947 1 291 s 
atom 293 2HB H ** - 0 -19.342 51.339 -36.259 1 291 s 
atom 294 CG C ** - 0 -20.252 49.457 -36.696 4 291 s 297 s 295 s 296 s 
atom 295 1HG H ** - 0 -21.249 49.381 -37.13 1 294 s 
atom 296 2HG H ** - 0 -19.523 49.443 -37.506 1 294 s 
atom 297 CD C ** - 0 -20.038 48.325 -35.735 4 286 s 294 s 298 s 299 s 
atom 298 1HD H ** - 0 -19.159 47.755 -36.036 1 297 s 
atom 299 2HD H ** - 0 -20.906 47.666 -35.729 1 297 s 
endres 18
res 19 CYS 19 - -
atom 300 N N ** - 0 -21.176 52.266 -33.63 3 289 s 302 s 301 s 
atom 301 H H ** - 0 -20.57 52.82 -34.218 1 300 s 
atom 302 CA C ** - 0 -22.206 52.932 -32.858 4 300 s 303 s 304 s 306 s 
atom 303 HA H ** - 0 -23.16 52.517 -33.186 1 302 s 
atom 304 C C ** - 0 -22.182 54.435 -33.093 3 302 s 311 s 305 a 
atom 305 O O ** - 0 -21.358 54.934 -33.857 1 304 a 
atom 306 CB C ** - 0 -22.016 52.69 -31.364 4 302 s 309 s 307 s 308 s 
atom 307 1HB H ** - 0 -21.984 51.618 -31.171 1 306 s 
atom 308 2HB H ** - 0 -21.072 53.178 -31.12 1 306 s 
atom 309 SG S ** - 0 -23.235 53.464 -30.274 2 306 s 310 s 
atom 310 HG H ** - 0 -22.947 53.172 -29.009 1 309 s 
endres 19
res 20 MET 20 - -
atom 311 N N ** - 0 -23.09 55.158 -32.433 3 304 s 313 s 312 s 
atom 312 H H ** - 0 -23.74 54.687 -31.819 1 311 s 
atom 313 CA C ** - 0 -23.17 56.598 -32.571 4 311 s 314 s 315 s 317 s 
atom 314 HA H ** - 0 -22.208 56.998 -32.248 1 313 s 
atom 315 C C ** - 0 -24.288 57.17 -31.712 3 313 s 328 a 316 a 
atom 316 O O ** - 0 -24.985 56.43 -31.021 1 315 a 
atom 317 CB C ** - 0 -23.443 56.996 -34.018 4 313 s 320 s 318 s 319 s 
atom 318 1HB H ** - 0 -22.638 56.629 -34.654 1 317 s 
atom 319 2HB H ** - 0 -24.389 56.562 -34.342 1 317 s 
atom 320 CG C ** - 0 -23.519 58.516 -34.121 4 317 s 323 s 321 s 322 s 
atom 321 1HG H ** - 0 -24.321 58.884 -33.48 1 320 s 
atom 322 2HG H ** - 0 -22.569 58.944 -33.801 1 320 s 
atom 323 SD S ** - 0 -23.844 59.005 -35.833 2 320 s 324 s 
atom 324 CE C ** - 0 -23.878 60.775 -35.648 4 323 s 325 s 326 s 327 s 
atom 325 1HE H ** - 0 -24.069 61.238 -36.616 1 324 s 
atom 326 2HE H ** - 0 -24.669 61.052 -34.951 1 324 s 
atom 327 3HE H ** - 0 -22.918 61.119 -35.263 1 324 s 
atom 328 OXT O ** - 0 -24.497 58.381 -31.709 1 315 a 
endres 20
endmol 1