USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 89 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.33) USER MOD Single : A 92 THR OG1 : rot 81:sc= -0.214 USER MOD Single : A 94 SER OG : rot -116:sc= 0.00172 USER MOD Single : A 97 MET CE :methyl -143:sc= 0 (180deg=-0.281) USER MOD Single : A 102 MET CE :methyl 171:sc= -0.477 (180deg=-0.824) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -0.58 K(o=-0.58,f=-2) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot -65:sc= 0.911 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -118:sc= 0.042 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.029 USER MOD Single : A 134 MET CE :methyl -127:sc= -0.384 (180deg=-2.28) USER MOD Single : A 135 CYS SG : rot 68:sc= -0.625 USER MOD Single : A 136 THR OG1 : rot -57:sc= 1.72 USER MOD Single : A 138 LYS NZ :NH3+ 161:sc= -4.69! (180deg=-6.05!) USER MOD Single : A 141 ASN : amide:sc= -0.089 K(o=-0.089,f=-2!) USER MOD Single : A 144 LYS NZ :NH3+ -164:sc= -0.0082 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 11.263 0.855 12.490 1.00 0.00 N ATOM 109 CA TRP A 87 11.210 0.316 11.135 1.00 0.00 C ATOM 110 C TRP A 87 12.142 1.085 10.207 1.00 0.00 C ATOM 111 O TRP A 87 12.463 2.247 10.456 1.00 0.00 O ATOM 112 CB TRP A 87 9.778 0.369 10.599 1.00 0.00 C ATOM 113 CG TRP A 87 8.925 -0.771 11.069 1.00 0.00 C ATOM 114 CD1 TRP A 87 8.670 -1.124 12.363 1.00 0.00 C ATOM 115 CD2 TRP A 87 8.217 -1.706 10.248 1.00 0.00 C ATOM 116 NE1 TRP A 87 7.846 -2.223 12.396 1.00 0.00 N ATOM 117 CE2 TRP A 87 7.553 -2.599 11.112 1.00 0.00 C ATOM 118 CE3 TRP A 87 8.078 -1.875 8.868 1.00 0.00 C ATOM 119 CZ2 TRP A 87 6.765 -3.644 10.639 1.00 0.00 C ATOM 120 CZ3 TRP A 87 7.295 -2.913 8.400 1.00 0.00 C ATOM 121 CH2 TRP A 87 6.646 -3.786 9.283 1.00 0.00 C ATOM 0 HA TRP A 87 11.539 -0.723 11.170 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.318 1.308 10.905 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.805 0.368 9.509 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.059 -0.615 13.232 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.507 -2.684 13.240 1.00 0.00 H new ATOM 0 HE3 TRP A 87 8.574 -1.206 8.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.265 -4.319 11.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 7.181 -3.054 7.335 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.040 -4.587 8.886 1.00 0.00 H new ATOM 132 N VAL A 88 12.575 0.429 9.134 1.00 0.00 N ATOM 133 CA VAL A 88 13.471 1.052 8.167 1.00 0.00 C ATOM 134 C VAL A 88 12.687 1.717 7.041 1.00 0.00 C ATOM 135 O VAL A 88 11.655 1.207 6.606 1.00 0.00 O ATOM 136 CB VAL A 88 14.446 0.025 7.562 1.00 0.00 C ATOM 137 CG1 VAL A 88 15.525 -0.344 8.568 1.00 0.00 C ATOM 138 CG2 VAL A 88 13.694 -1.212 7.096 1.00 0.00 C ATOM 0 H VAL A 88 12.320 -0.533 8.913 1.00 0.00 H new ATOM 0 HA VAL A 88 14.041 1.809 8.706 1.00 0.00 H new ATOM 0 HB VAL A 88 14.930 0.476 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.205 -1.071 8.123 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.082 0.550 8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 88 15.063 -0.776 9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.398 -1.927 6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.181 -1.667 7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.963 -0.929 6.339 1.00 0.00 H new ATOM 148 N GLN A 89 13.185 2.858 6.574 1.00 0.00 N ATOM 149 CA GLN A 89 12.530 3.593 5.498 1.00 0.00 C ATOM 150 C GLN A 89 12.129 2.655 4.364 1.00 0.00 C ATOM 151 O GLN A 89 11.184 2.929 3.624 1.00 0.00 O ATOM 152 CB GLN A 89 13.453 4.690 4.966 1.00 0.00 C ATOM 153 CG GLN A 89 14.697 4.156 4.273 1.00 0.00 C ATOM 154 CD GLN A 89 15.841 3.908 5.237 1.00 0.00 C ATOM 155 OE1 GLN A 89 16.311 4.826 5.909 1.00 0.00 O ATOM 156 NE2 GLN A 89 16.295 2.662 5.309 1.00 0.00 N ATOM 0 H GLN A 89 14.039 3.293 6.924 1.00 0.00 H new ATOM 0 HA GLN A 89 11.628 4.052 5.902 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.897 5.313 4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.755 5.332 5.794 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.451 3.226 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.017 4.866 3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.875 1.932 4.733 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.063 2.435 5.940 1.00 0.00 H new ATOM 165 N ASP A 90 12.852 1.548 4.235 1.00 0.00 N ATOM 166 CA ASP A 90 12.571 0.569 3.191 1.00 0.00 C ATOM 167 C ASP A 90 11.283 -0.191 3.492 1.00 0.00 C ATOM 168 O ASP A 90 10.302 -0.082 2.758 1.00 0.00 O ATOM 169 CB ASP A 90 13.737 -0.411 3.055 1.00 0.00 C ATOM 170 CG ASP A 90 15.082 0.287 3.044 1.00 0.00 C ATOM 171 OD1 ASP A 90 15.263 1.215 2.228 1.00 0.00 O ATOM 172 OD2 ASP A 90 15.956 -0.095 3.851 1.00 0.00 O ATOM 0 H ASP A 90 13.637 1.306 4.840 1.00 0.00 H new ATOM 0 HA ASP A 90 12.444 1.103 2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 90 13.707 -1.123 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.621 -0.984 2.135 1.00 0.00 H new ATOM 177 N GLU A 91 11.296 -0.961 4.576 1.00 0.00 N ATOM 178 CA GLU A 91 10.129 -1.741 4.972 1.00 0.00 C ATOM 179 C GLU A 91 8.911 -0.841 5.158 1.00 0.00 C ATOM 180 O GLU A 91 7.835 -1.113 4.623 1.00 0.00 O ATOM 181 CB GLU A 91 10.415 -2.506 6.266 1.00 0.00 C ATOM 182 CG GLU A 91 11.437 -3.618 6.103 1.00 0.00 C ATOM 183 CD GLU A 91 11.275 -4.715 7.137 1.00 0.00 C ATOM 184 OE1 GLU A 91 11.078 -4.388 8.325 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.346 -5.903 6.756 1.00 0.00 O ATOM 0 H GLU A 91 12.101 -1.061 5.195 1.00 0.00 H new ATOM 0 HA GLU A 91 9.913 -2.455 4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.771 -1.805 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.484 -2.932 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.345 -4.048 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.440 -3.198 6.178 1.00 0.00 H new ATOM 192 N THR A 92 9.087 0.234 5.920 1.00 0.00 N ATOM 193 CA THR A 92 8.004 1.173 6.179 1.00 0.00 C ATOM 194 C THR A 92 7.320 1.594 4.883 1.00 0.00 C ATOM 195 O THR A 92 6.104 1.466 4.742 1.00 0.00 O ATOM 196 CB THR A 92 8.513 2.430 6.910 1.00 0.00 C ATOM 197 OG1 THR A 92 9.260 2.053 8.071 1.00 0.00 O ATOM 198 CG2 THR A 92 7.353 3.327 7.315 1.00 0.00 C ATOM 0 H THR A 92 9.971 0.476 6.369 1.00 0.00 H new ATOM 0 HA THR A 92 7.284 0.658 6.816 1.00 0.00 H new ATOM 0 HB THR A 92 9.159 2.984 6.228 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.173 1.812 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.737 4.208 7.829 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.805 3.636 6.425 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.685 2.780 7.981 1.00 0.00 H new ATOM 206 N ARG A 93 8.109 2.097 3.939 1.00 0.00 N ATOM 207 CA ARG A 93 7.579 2.537 2.655 1.00 0.00 C ATOM 208 C ARG A 93 6.809 1.412 1.970 1.00 0.00 C ATOM 209 O ARG A 93 5.660 1.589 1.566 1.00 0.00 O ATOM 210 CB ARG A 93 8.713 3.018 1.748 1.00 0.00 C ATOM 211 CG ARG A 93 8.239 3.857 0.573 1.00 0.00 C ATOM 212 CD ARG A 93 9.398 4.260 -0.327 1.00 0.00 C ATOM 213 NE ARG A 93 8.938 4.773 -1.614 1.00 0.00 N ATOM 214 CZ ARG A 93 9.709 4.848 -2.693 1.00 0.00 C ATOM 215 NH1 ARG A 93 10.971 4.444 -2.640 1.00 0.00 N ATOM 216 NH2 ARG A 93 9.218 5.326 -3.829 1.00 0.00 N ATOM 0 H ARG A 93 9.118 2.210 4.040 1.00 0.00 H new ATOM 0 HA ARG A 93 6.894 3.364 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.417 3.602 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.256 2.152 1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.506 3.294 -0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.736 4.751 0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.998 5.020 0.173 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.046 3.399 -0.491 1.00 0.00 H new ATOM 0 HE ARG A 93 7.972 5.091 -1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.352 4.074 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.561 4.503 -3.470 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.247 5.636 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.811 5.383 -4.657 1.00 0.00 H new ATOM 230 N SER A 94 7.450 0.254 1.843 1.00 0.00 N ATOM 231 CA SER A 94 6.827 -0.899 1.204 1.00 0.00 C ATOM 232 C SER A 94 5.474 -1.206 1.837 1.00 0.00 C ATOM 233 O SER A 94 4.468 -1.349 1.142 1.00 0.00 O ATOM 234 CB SER A 94 7.741 -2.121 1.307 1.00 0.00 C ATOM 235 OG SER A 94 7.531 -3.008 0.222 1.00 0.00 O ATOM 0 H SER A 94 8.401 0.090 2.174 1.00 0.00 H new ATOM 0 HA SER A 94 6.670 -0.660 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.782 -1.800 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.554 -2.641 2.247 1.00 0.00 H new ATOM 0 HG SER A 94 7.185 -3.861 0.559 1.00 0.00 H new ATOM 241 N LEU A 95 5.457 -1.307 3.162 1.00 0.00 N ATOM 242 CA LEU A 95 4.228 -1.597 3.892 1.00 0.00 C ATOM 243 C LEU A 95 3.134 -0.596 3.536 1.00 0.00 C ATOM 244 O LEU A 95 2.089 -0.968 2.999 1.00 0.00 O ATOM 245 CB LEU A 95 4.488 -1.571 5.399 1.00 0.00 C ATOM 246 CG LEU A 95 3.250 -1.490 6.292 1.00 0.00 C ATOM 247 CD1 LEU A 95 2.393 -2.735 6.132 1.00 0.00 C ATOM 248 CD2 LEU A 95 3.654 -1.302 7.747 1.00 0.00 C ATOM 0 H LEU A 95 6.281 -1.192 3.752 1.00 0.00 H new ATOM 0 HA LEU A 95 3.891 -2.593 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.046 -2.468 5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.129 -0.718 5.622 1.00 0.00 H new ATOM 0 HG LEU A 95 2.660 -0.627 5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.517 -2.659 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.074 -2.826 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.973 -3.614 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.760 -1.246 8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.266 -2.145 8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.225 -0.379 7.850 1.00 0.00 H new ATOM 260 N ILE A 96 3.381 0.675 3.835 1.00 0.00 N ATOM 261 CA ILE A 96 2.418 1.729 3.544 1.00 0.00 C ATOM 262 C ILE A 96 1.738 1.496 2.199 1.00 0.00 C ATOM 263 O ILE A 96 0.517 1.362 2.125 1.00 0.00 O ATOM 264 CB ILE A 96 3.088 3.116 3.534 1.00 0.00 C ATOM 265 CG1 ILE A 96 3.698 3.422 4.903 1.00 0.00 C ATOM 266 CG2 ILE A 96 2.081 4.188 3.145 1.00 0.00 C ATOM 267 CD1 ILE A 96 4.698 4.556 4.880 1.00 0.00 C ATOM 0 H ILE A 96 4.240 0.999 4.279 1.00 0.00 H new ATOM 0 HA ILE A 96 1.670 1.701 4.336 1.00 0.00 H new ATOM 0 HB ILE A 96 3.888 3.111 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.898 3.668 5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.187 2.525 5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.570 5.162 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 96 1.690 3.976 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.261 4.195 3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.089 4.717 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.518 4.304 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.209 5.465 4.531 1.00 0.00 H new ATOM 279 N MET A 97 2.537 1.447 1.138 1.00 0.00 N ATOM 280 CA MET A 97 2.012 1.227 -0.204 1.00 0.00 C ATOM 281 C MET A 97 1.166 -0.041 -0.256 1.00 0.00 C ATOM 282 O MET A 97 -0.007 -0.001 -0.628 1.00 0.00 O ATOM 283 CB MET A 97 3.158 1.131 -1.214 1.00 0.00 C ATOM 284 CG MET A 97 3.601 2.478 -1.761 1.00 0.00 C ATOM 285 SD MET A 97 4.544 3.438 -0.561 1.00 0.00 S ATOM 286 CE MET A 97 4.310 5.097 -1.196 1.00 0.00 C ATOM 0 H MET A 97 3.550 1.557 1.182 1.00 0.00 H new ATOM 0 HA MET A 97 1.379 2.076 -0.463 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.009 0.643 -0.740 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.848 0.496 -2.044 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.208 2.322 -2.653 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.724 3.048 -2.068 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.227 5.671 -1.062 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.064 5.049 -2.257 1.00 0.00 H new ATOM 0 HE3 MET A 97 3.496 5.582 -0.656 1.00 0.00 H new ATOM 296 N PHE A 98 1.768 -1.164 0.120 1.00 0.00 N ATOM 297 CA PHE A 98 1.069 -2.444 0.115 1.00 0.00 C ATOM 298 C PHE A 98 -0.309 -2.314 0.758 1.00 0.00 C ATOM 299 O PHE A 98 -1.297 -2.842 0.247 1.00 0.00 O ATOM 300 CB PHE A 98 1.891 -3.501 0.855 1.00 0.00 C ATOM 301 CG PHE A 98 2.919 -4.174 -0.009 1.00 0.00 C ATOM 302 CD1 PHE A 98 3.626 -3.453 -0.957 1.00 0.00 C ATOM 303 CD2 PHE A 98 3.178 -5.529 0.127 1.00 0.00 C ATOM 304 CE1 PHE A 98 4.571 -4.070 -1.754 1.00 0.00 C ATOM 305 CE2 PHE A 98 4.123 -6.151 -0.667 1.00 0.00 C ATOM 306 CZ PHE A 98 4.821 -5.421 -1.608 1.00 0.00 C ATOM 0 H PHE A 98 2.738 -1.214 0.432 1.00 0.00 H new ATOM 0 HA PHE A 98 0.939 -2.754 -0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.391 -3.033 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.217 -4.256 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.436 -2.396 -1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.635 -6.105 0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.114 -3.497 -2.491 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.315 -7.207 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.561 -5.905 -2.229 1.00 0.00 H new ATOM 316 N ARG A 99 -0.366 -1.608 1.883 1.00 0.00 N ATOM 317 CA ARG A 99 -1.621 -1.410 2.597 1.00 0.00 C ATOM 318 C ARG A 99 -2.563 -0.510 1.802 1.00 0.00 C ATOM 319 O ARG A 99 -3.763 -0.772 1.717 1.00 0.00 O ATOM 320 CB ARG A 99 -1.358 -0.799 3.975 1.00 0.00 C ATOM 321 CG ARG A 99 -2.618 -0.586 4.798 1.00 0.00 C ATOM 322 CD ARG A 99 -3.209 -1.907 5.263 1.00 0.00 C ATOM 323 NE ARG A 99 -4.363 -1.713 6.138 1.00 0.00 N ATOM 324 CZ ARG A 99 -5.551 -1.305 5.706 1.00 0.00 C ATOM 325 NH1 ARG A 99 -5.742 -1.050 4.419 1.00 0.00 N ATOM 326 NH2 ARG A 99 -6.553 -1.151 6.563 1.00 0.00 N ATOM 0 H ARG A 99 0.442 -1.164 2.319 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.095 -2.383 2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.679 -1.449 4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.851 0.158 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.388 0.036 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -3.355 -0.045 4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.507 -2.496 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.446 -2.480 5.791 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.250 -1.901 7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.975 -1.167 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.656 -0.737 4.091 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.411 -1.346 7.554 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.465 -0.838 6.230 1.00 0.00 H new ATOM 340 N ARG A 100 -2.011 0.550 1.222 1.00 0.00 N ATOM 341 CA ARG A 100 -2.802 1.489 0.436 1.00 0.00 C ATOM 342 C ARG A 100 -3.488 0.781 -0.729 1.00 0.00 C ATOM 343 O ARG A 100 -4.711 0.810 -0.853 1.00 0.00 O ATOM 344 CB ARG A 100 -1.915 2.619 -0.092 1.00 0.00 C ATOM 345 CG ARG A 100 -1.471 3.597 0.983 1.00 0.00 C ATOM 346 CD ARG A 100 -0.501 4.630 0.431 1.00 0.00 C ATOM 347 NE ARG A 100 -1.162 5.579 -0.461 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.510 6.376 -1.300 1.00 0.00 C ATOM 349 NH1 ARG A 100 0.814 6.337 -1.362 1.00 0.00 N ATOM 350 NH2 ARG A 100 -1.182 7.214 -2.079 1.00 0.00 N ATOM 0 H ARG A 100 -1.019 0.780 1.281 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.569 1.911 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.033 2.187 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.457 3.164 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.343 4.101 1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -0.998 3.052 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.038 5.170 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.300 4.124 -0.108 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.180 5.633 -0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.334 5.694 -0.765 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.313 6.950 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.200 7.247 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.680 7.826 -2.723 1.00 0.00 H new ATOM 364 N GLY A 101 -2.689 0.144 -1.580 1.00 0.00 N ATOM 365 CA GLY A 101 -3.237 -0.563 -2.723 1.00 0.00 C ATOM 366 C GLY A 101 -4.275 -1.593 -2.325 1.00 0.00 C ATOM 367 O GLY A 101 -5.286 -1.760 -3.007 1.00 0.00 O ATOM 0 H GLY A 101 -1.673 0.105 -1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.687 0.155 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -2.429 -1.056 -3.263 1.00 0.00 H new ATOM 371 N MET A 102 -4.026 -2.286 -1.219 1.00 0.00 N ATOM 372 CA MET A 102 -4.947 -3.305 -0.732 1.00 0.00 C ATOM 373 C MET A 102 -6.152 -2.667 -0.048 1.00 0.00 C ATOM 374 O MET A 102 -7.189 -3.307 0.129 1.00 0.00 O ATOM 375 CB MET A 102 -4.234 -4.246 0.241 1.00 0.00 C ATOM 376 CG MET A 102 -3.385 -5.302 -0.448 1.00 0.00 C ATOM 377 SD MET A 102 -2.795 -6.570 0.690 1.00 0.00 S ATOM 378 CE MET A 102 -4.339 -7.342 1.167 1.00 0.00 C ATOM 0 H MET A 102 -3.194 -2.160 -0.643 1.00 0.00 H new ATOM 0 HA MET A 102 -5.299 -3.879 -1.589 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.600 -3.658 0.904 1.00 0.00 H new ATOM 0 HB3 MET A 102 -4.977 -4.740 0.866 1.00 0.00 H new ATOM 0 HG2 MET A 102 -3.969 -5.773 -1.239 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.531 -4.821 -0.925 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.132 -8.245 1.742 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.919 -6.649 1.776 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.907 -7.603 0.274 1.00 0.00 H new ATOM 388 N ASP A 103 -6.009 -1.402 0.333 1.00 0.00 N ATOM 389 CA ASP A 103 -7.086 -0.677 0.997 1.00 0.00 C ATOM 390 C ASP A 103 -8.445 -1.094 0.441 1.00 0.00 C ATOM 391 O ASP A 103 -9.347 -1.464 1.191 1.00 0.00 O ATOM 392 CB ASP A 103 -6.894 0.831 0.829 1.00 0.00 C ATOM 393 CG ASP A 103 -7.977 1.633 1.522 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.160 1.475 1.155 1.00 0.00 O ATOM 395 OD2 ASP A 103 -7.642 2.420 2.432 1.00 0.00 O ATOM 0 H ASP A 103 -5.158 -0.858 0.193 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.056 -0.923 2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.921 1.117 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.887 1.077 -0.233 1.00 0.00 H new ATOM 400 N GLY A 104 -8.583 -1.029 -0.880 1.00 0.00 N ATOM 401 CA GLY A 104 -9.834 -1.402 -1.514 1.00 0.00 C ATOM 402 C GLY A 104 -10.501 -2.581 -0.834 1.00 0.00 C ATOM 403 O GLY A 104 -11.661 -2.500 -0.429 1.00 0.00 O ATOM 0 H GLY A 104 -7.851 -0.725 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.512 -0.549 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -9.649 -1.647 -2.560 1.00 0.00 H new ATOM 407 N LEU A 105 -9.767 -3.681 -0.708 1.00 0.00 N ATOM 408 CA LEU A 105 -10.294 -4.884 -0.072 1.00 0.00 C ATOM 409 C LEU A 105 -10.822 -4.575 1.325 1.00 0.00 C ATOM 410 O LEU A 105 -11.952 -4.927 1.665 1.00 0.00 O ATOM 411 CB LEU A 105 -9.210 -5.960 0.006 1.00 0.00 C ATOM 412 CG LEU A 105 -8.681 -6.479 -1.332 1.00 0.00 C ATOM 413 CD1 LEU A 105 -7.357 -7.201 -1.139 1.00 0.00 C ATOM 414 CD2 LEU A 105 -9.701 -7.399 -1.987 1.00 0.00 C ATOM 0 H LEU A 105 -8.805 -3.765 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 105 -11.121 -5.253 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.371 -5.561 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -9.605 -6.805 0.570 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.514 -5.626 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.996 -7.563 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.626 -6.513 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.498 -8.045 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.308 -7.759 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -9.900 -8.247 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -10.627 -6.851 -2.161 1.00 0.00 H new ATOM 426 N PHE A 106 -9.998 -3.913 2.130 1.00 0.00 N ATOM 427 CA PHE A 106 -10.382 -3.555 3.491 1.00 0.00 C ATOM 428 C PHE A 106 -11.772 -2.926 3.515 1.00 0.00 C ATOM 429 O PHE A 106 -12.656 -3.378 4.242 1.00 0.00 O ATOM 430 CB PHE A 106 -9.362 -2.588 4.094 1.00 0.00 C ATOM 431 CG PHE A 106 -8.045 -3.232 4.420 1.00 0.00 C ATOM 432 CD1 PHE A 106 -7.110 -3.471 3.426 1.00 0.00 C ATOM 433 CD2 PHE A 106 -7.742 -3.600 5.721 1.00 0.00 C ATOM 434 CE1 PHE A 106 -5.897 -4.064 3.723 1.00 0.00 C ATOM 435 CE2 PHE A 106 -6.531 -4.192 6.025 1.00 0.00 C ATOM 436 CZ PHE A 106 -5.608 -4.426 5.024 1.00 0.00 C ATOM 0 H PHE A 106 -9.060 -3.613 1.864 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.404 -4.467 4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.193 -1.768 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -9.779 -2.152 5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -7.331 -3.191 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.461 -3.422 6.507 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.177 -4.244 2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.306 -4.471 7.044 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.662 -4.891 5.259 1.00 0.00 H new ATOM 532 N LYS A 113 -8.615 -9.558 8.670 1.00 0.00 N ATOM 533 CA LYS A 113 -7.722 -10.604 9.153 1.00 0.00 C ATOM 534 C LYS A 113 -6.944 -11.231 8.001 1.00 0.00 C ATOM 535 O LYS A 113 -5.717 -11.329 8.048 1.00 0.00 O ATOM 536 CB LYS A 113 -8.519 -11.683 9.891 1.00 0.00 C ATOM 537 CG LYS A 113 -8.671 -11.416 11.378 1.00 0.00 C ATOM 538 CD LYS A 113 -9.532 -10.192 11.640 1.00 0.00 C ATOM 539 CE LYS A 113 -9.305 -9.639 13.039 1.00 0.00 C ATOM 540 NZ LYS A 113 -10.409 -8.736 13.465 1.00 0.00 N ATOM 0 HA LYS A 113 -7.011 -10.149 9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.509 -11.763 9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.027 -12.646 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.117 -12.286 11.861 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.687 -11.272 11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.306 -9.422 10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.583 -10.452 11.517 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.218 -10.464 13.746 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.361 -9.095 13.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -10.217 -8.380 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.476 -7.935 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -11.307 -9.261 13.464 1.00 0.00 H new ATOM 554 N HIS A 114 -7.664 -11.652 6.966 1.00 0.00 N ATOM 555 CA HIS A 114 -7.040 -12.266 5.800 1.00 0.00 C ATOM 556 C HIS A 114 -6.147 -11.267 5.072 1.00 0.00 C ATOM 557 O HIS A 114 -5.113 -11.635 4.513 1.00 0.00 O ATOM 558 CB HIS A 114 -8.109 -12.802 4.846 1.00 0.00 C ATOM 559 CG HIS A 114 -9.038 -11.745 4.333 1.00 0.00 C ATOM 560 ND1 HIS A 114 -10.136 -11.301 5.039 1.00 0.00 N ATOM 561 CD2 HIS A 114 -9.026 -11.041 3.177 1.00 0.00 C ATOM 562 CE1 HIS A 114 -10.761 -10.372 4.339 1.00 0.00 C ATOM 563 NE2 HIS A 114 -10.108 -10.195 3.205 1.00 0.00 N ATOM 0 H HIS A 114 -8.680 -11.579 6.911 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.422 -13.095 6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.620 -13.286 4.000 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -8.691 -13.568 5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.301 -11.128 2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -11.654 -9.846 4.642 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.365 -9.537 2.469 1.00 0.00 H new ATOM 571 N LEU A 115 -6.552 -10.002 5.081 1.00 0.00 N ATOM 572 CA LEU A 115 -5.788 -8.949 4.421 1.00 0.00 C ATOM 573 C LEU A 115 -4.435 -8.753 5.096 1.00 0.00 C ATOM 574 O LEU A 115 -3.398 -8.723 4.433 1.00 0.00 O ATOM 575 CB LEU A 115 -6.574 -7.636 4.437 1.00 0.00 C ATOM 576 CG LEU A 115 -7.951 -7.670 3.774 1.00 0.00 C ATOM 577 CD1 LEU A 115 -8.624 -6.310 3.872 1.00 0.00 C ATOM 578 CD2 LEU A 115 -7.833 -8.106 2.321 1.00 0.00 C ATOM 0 H LEU A 115 -7.405 -9.680 5.538 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.617 -9.251 3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.700 -7.324 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.974 -6.871 3.944 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.569 -8.397 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.603 -6.353 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.743 -6.038 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.009 -5.563 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.823 -8.124 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.198 -7.404 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.394 -9.102 2.275 1.00 0.00 H new ATOM 590 N TRP A 116 -4.452 -8.622 6.418 1.00 0.00 N ATOM 591 CA TRP A 116 -3.225 -8.431 7.183 1.00 0.00 C ATOM 592 C TRP A 116 -2.223 -9.542 6.890 1.00 0.00 C ATOM 593 O TRP A 116 -1.110 -9.280 6.434 1.00 0.00 O ATOM 594 CB TRP A 116 -3.535 -8.389 8.680 1.00 0.00 C ATOM 595 CG TRP A 116 -4.054 -7.061 9.143 1.00 0.00 C ATOM 596 CD1 TRP A 116 -5.188 -6.832 9.868 1.00 0.00 C ATOM 597 CD2 TRP A 116 -3.459 -5.780 8.910 1.00 0.00 C ATOM 598 NE1 TRP A 116 -5.334 -5.486 10.100 1.00 0.00 N ATOM 599 CE2 TRP A 116 -4.286 -4.819 9.523 1.00 0.00 C ATOM 600 CE3 TRP A 116 -2.307 -5.352 8.244 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -3.996 -3.457 9.488 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -2.021 -4.001 8.210 1.00 0.00 C ATOM 603 CH2 TRP A 116 -2.862 -3.066 8.830 1.00 0.00 C ATOM 0 H TRP A 116 -5.302 -8.645 6.982 1.00 0.00 H new ATOM 0 HA TRP A 116 -2.783 -7.481 6.884 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -4.270 -9.159 8.913 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -2.631 -8.632 9.238 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -5.870 -7.597 10.209 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -6.099 -5.053 10.618 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -1.652 -6.065 7.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -4.643 -2.735 9.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -1.134 -3.659 7.697 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -2.610 -2.017 8.787 1.00 0.00 H new ATOM 614 N GLU A 117 -2.624 -10.781 7.154 1.00 0.00 N ATOM 615 CA GLU A 117 -1.759 -11.930 6.918 1.00 0.00 C ATOM 616 C GLU A 117 -1.216 -11.919 5.492 1.00 0.00 C ATOM 617 O GLU A 117 -0.074 -12.309 5.249 1.00 0.00 O ATOM 618 CB GLU A 117 -2.521 -13.232 7.175 1.00 0.00 C ATOM 619 CG GLU A 117 -3.712 -13.432 6.253 1.00 0.00 C ATOM 620 CD GLU A 117 -4.245 -14.851 6.288 1.00 0.00 C ATOM 621 OE1 GLU A 117 -3.471 -15.783 5.980 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.434 -15.031 6.622 1.00 0.00 O ATOM 0 H GLU A 117 -3.542 -11.015 7.531 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.918 -11.867 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.837 -14.073 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.867 -13.243 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.507 -12.742 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -3.423 -13.182 5.232 1.00 0.00 H new ATOM 629 N GLN A 118 -2.043 -11.469 4.554 1.00 0.00 N ATOM 630 CA GLN A 118 -1.647 -11.408 3.152 1.00 0.00 C ATOM 631 C GLN A 118 -0.457 -10.473 2.963 1.00 0.00 C ATOM 632 O GLN A 118 0.524 -10.826 2.307 1.00 0.00 O ATOM 633 CB GLN A 118 -2.820 -10.941 2.288 1.00 0.00 C ATOM 634 CG GLN A 118 -3.689 -12.078 1.776 1.00 0.00 C ATOM 635 CD GLN A 118 -4.752 -11.608 0.803 1.00 0.00 C ATOM 636 OE1 GLN A 118 -4.463 -11.324 -0.360 1.00 0.00 O ATOM 637 NE2 GLN A 118 -5.990 -11.524 1.274 1.00 0.00 N ATOM 0 H GLN A 118 -2.991 -11.141 4.739 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.352 -12.410 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -3.438 -10.256 2.868 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.433 -10.379 1.438 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.058 -12.821 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -4.168 -12.573 2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.184 -11.769 2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -6.747 -11.214 0.665 1.00 0.00 H new ATOM 646 N ILE A 119 -0.550 -9.280 3.541 1.00 0.00 N ATOM 647 CA ILE A 119 0.519 -8.295 3.436 1.00 0.00 C ATOM 648 C ILE A 119 1.832 -8.849 3.979 1.00 0.00 C ATOM 649 O ILE A 119 2.888 -8.682 3.369 1.00 0.00 O ATOM 650 CB ILE A 119 0.168 -7.001 4.194 1.00 0.00 C ATOM 651 CG1 ILE A 119 -1.123 -6.394 3.641 1.00 0.00 C ATOM 652 CG2 ILE A 119 1.313 -6.004 4.097 1.00 0.00 C ATOM 653 CD1 ILE A 119 -1.884 -5.567 4.653 1.00 0.00 C ATOM 0 H ILE A 119 -1.355 -8.972 4.087 1.00 0.00 H new ATOM 0 HA ILE A 119 0.635 -8.066 2.377 1.00 0.00 H new ATOM 0 HB ILE A 119 0.011 -7.244 5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -0.882 -5.769 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -1.767 -7.196 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 119 1.050 -5.095 4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 119 2.212 -6.439 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.498 -5.763 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.787 -5.168 4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -2.156 -6.193 5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -1.257 -4.743 4.995 1.00 0.00 H new ATOM 665 N SER A 120 1.758 -9.511 5.129 1.00 0.00 N ATOM 666 CA SER A 120 2.941 -10.089 5.756 1.00 0.00 C ATOM 667 C SER A 120 3.596 -11.116 4.837 1.00 0.00 C ATOM 668 O SER A 120 4.808 -11.091 4.624 1.00 0.00 O ATOM 669 CB SER A 120 2.570 -10.743 7.088 1.00 0.00 C ATOM 670 OG SER A 120 1.952 -12.002 6.884 1.00 0.00 O ATOM 0 H SER A 120 0.891 -9.661 5.646 1.00 0.00 H new ATOM 0 HA SER A 120 3.654 -9.285 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 120 3.465 -10.868 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.896 -10.089 7.642 1.00 0.00 H new ATOM 0 HG SER A 120 1.095 -11.875 6.427 1.00 0.00 H new ATOM 676 N SER A 121 2.784 -12.019 4.296 1.00 0.00 N ATOM 677 CA SER A 121 3.284 -13.058 3.403 1.00 0.00 C ATOM 678 C SER A 121 3.896 -12.446 2.147 1.00 0.00 C ATOM 679 O SER A 121 4.955 -12.873 1.686 1.00 0.00 O ATOM 680 CB SER A 121 2.155 -14.017 3.020 1.00 0.00 C ATOM 681 OG SER A 121 2.005 -15.041 3.988 1.00 0.00 O ATOM 0 H SER A 121 1.778 -12.052 4.460 1.00 0.00 H new ATOM 0 HA SER A 121 4.060 -13.614 3.930 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.221 -13.464 2.924 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.365 -14.460 2.047 1.00 0.00 H new ATOM 0 HG SER A 121 1.276 -15.639 3.721 1.00 0.00 H new ATOM 687 N LYS A 122 3.221 -11.443 1.596 1.00 0.00 N ATOM 688 CA LYS A 122 3.696 -10.770 0.393 1.00 0.00 C ATOM 689 C LYS A 122 5.052 -10.116 0.635 1.00 0.00 C ATOM 690 O LYS A 122 6.010 -10.362 -0.097 1.00 0.00 O ATOM 691 CB LYS A 122 2.683 -9.716 -0.060 1.00 0.00 C ATOM 692 CG LYS A 122 1.598 -10.266 -0.970 1.00 0.00 C ATOM 693 CD LYS A 122 0.322 -9.446 -0.875 1.00 0.00 C ATOM 694 CE LYS A 122 -0.604 -9.719 -2.050 1.00 0.00 C ATOM 695 NZ LYS A 122 -1.868 -8.937 -1.954 1.00 0.00 N ATOM 0 H LYS A 122 2.342 -11.078 1.964 1.00 0.00 H new ATOM 0 HA LYS A 122 3.808 -11.518 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 122 2.217 -9.271 0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.211 -8.917 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 122 1.953 -10.270 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 122 1.387 -11.301 -0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.193 -9.679 0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.571 -8.385 -0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -0.093 -9.471 -2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.837 -10.783 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -2.675 -9.589 -1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.839 -8.333 -1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.973 -8.342 -2.801 1.00 0.00 H new ATOM 709 N MET A 123 5.126 -9.283 1.668 1.00 0.00 N ATOM 710 CA MET A 123 6.367 -8.595 2.008 1.00 0.00 C ATOM 711 C MET A 123 7.536 -9.574 2.053 1.00 0.00 C ATOM 712 O MET A 123 8.545 -9.381 1.375 1.00 0.00 O ATOM 713 CB MET A 123 6.229 -7.886 3.357 1.00 0.00 C ATOM 714 CG MET A 123 5.431 -6.594 3.285 1.00 0.00 C ATOM 715 SD MET A 123 6.461 -5.161 2.914 1.00 0.00 S ATOM 716 CE MET A 123 7.091 -4.767 4.543 1.00 0.00 C ATOM 0 H MET A 123 4.342 -9.068 2.284 1.00 0.00 H new ATOM 0 HA MET A 123 6.566 -7.853 1.234 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.749 -8.561 4.066 1.00 0.00 H new ATOM 0 HB3 MET A 123 7.223 -7.668 3.747 1.00 0.00 H new ATOM 0 HG2 MET A 123 4.660 -6.690 2.521 1.00 0.00 H new ATOM 0 HG3 MET A 123 4.920 -6.434 4.235 1.00 0.00 H new ATOM 0 HE1 MET A 123 7.747 -3.899 4.479 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.259 -4.545 5.211 1.00 0.00 H new ATOM 0 HE3 MET A 123 7.651 -5.617 4.932 1.00 0.00 H new ATOM 726 N ARG A 124 7.392 -10.624 2.855 1.00 0.00 N ATOM 727 CA ARG A 124 8.437 -11.632 2.988 1.00 0.00 C ATOM 728 C ARG A 124 8.938 -12.081 1.618 1.00 0.00 C ATOM 729 O ARG A 124 10.143 -12.153 1.380 1.00 0.00 O ATOM 730 CB ARG A 124 7.916 -12.837 3.773 1.00 0.00 C ATOM 731 CG ARG A 124 8.992 -13.558 4.568 1.00 0.00 C ATOM 732 CD ARG A 124 8.390 -14.563 5.538 1.00 0.00 C ATOM 733 NE ARG A 124 7.846 -13.915 6.729 1.00 0.00 N ATOM 734 CZ ARG A 124 8.583 -13.572 7.780 1.00 0.00 C ATOM 735 NH1 ARG A 124 9.887 -13.813 7.787 1.00 0.00 N ATOM 736 NH2 ARG A 124 8.016 -12.986 8.826 1.00 0.00 N ATOM 0 H ARG A 124 6.562 -10.799 3.422 1.00 0.00 H new ATOM 0 HA ARG A 124 9.270 -11.186 3.531 1.00 0.00 H new ATOM 0 HB2 ARG A 124 7.134 -12.505 4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.456 -13.541 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 124 9.669 -14.071 3.884 1.00 0.00 H new ATOM 0 HG3 ARG A 124 9.587 -12.830 5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 124 7.600 -15.122 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 124 9.153 -15.283 5.834 1.00 0.00 H new ATOM 0 HE ARG A 124 6.846 -13.715 6.755 1.00 0.00 H new ATOM 0 HH11 ARG A 124 10.327 -14.263 6.984 1.00 0.00 H new ATOM 0 HH12 ARG A 124 10.450 -13.549 8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 124 7.013 -12.798 8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 124 8.583 -12.723 9.632 1.00 0.00 H new ATOM 750 N GLU A 125 8.003 -12.383 0.722 1.00 0.00 N ATOM 751 CA GLU A 125 8.350 -12.826 -0.623 1.00 0.00 C ATOM 752 C GLU A 125 9.157 -11.759 -1.356 1.00 0.00 C ATOM 753 O GLU A 125 10.140 -12.063 -2.033 1.00 0.00 O ATOM 754 CB GLU A 125 7.085 -13.159 -1.416 1.00 0.00 C ATOM 755 CG GLU A 125 6.454 -14.486 -1.028 1.00 0.00 C ATOM 756 CD GLU A 125 7.107 -15.667 -1.721 1.00 0.00 C ATOM 757 OE1 GLU A 125 8.144 -16.149 -1.221 1.00 0.00 O ATOM 758 OE2 GLU A 125 6.579 -16.108 -2.763 1.00 0.00 O ATOM 0 H GLU A 125 7.001 -12.329 0.903 1.00 0.00 H new ATOM 0 HA GLU A 125 8.962 -13.724 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.355 -12.363 -1.270 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.327 -13.179 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.527 -14.617 0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.393 -14.466 -1.275 1.00 0.00 H new ATOM 765 N LYS A 126 8.735 -10.507 -1.217 1.00 0.00 N ATOM 766 CA LYS A 126 9.417 -9.393 -1.865 1.00 0.00 C ATOM 767 C LYS A 126 10.841 -9.245 -1.337 1.00 0.00 C ATOM 768 O LYS A 126 11.788 -9.102 -2.109 1.00 0.00 O ATOM 769 CB LYS A 126 8.641 -8.093 -1.641 1.00 0.00 C ATOM 770 CG LYS A 126 7.162 -8.204 -1.967 1.00 0.00 C ATOM 771 CD LYS A 126 6.882 -7.850 -3.417 1.00 0.00 C ATOM 772 CE LYS A 126 6.952 -9.076 -4.314 1.00 0.00 C ATOM 773 NZ LYS A 126 6.753 -8.727 -5.748 1.00 0.00 N ATOM 0 H LYS A 126 7.923 -10.238 -0.661 1.00 0.00 H new ATOM 0 HA LYS A 126 9.464 -9.601 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 126 8.753 -7.787 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.082 -7.306 -2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.820 -9.219 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.594 -7.542 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 126 5.895 -7.395 -3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 126 7.604 -7.107 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 126 7.920 -9.562 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.192 -9.795 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.808 -9.590 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 5.819 -8.286 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.493 -8.061 -6.049 1.00 0.00 H new ATOM 787 N GLY A 127 10.984 -9.282 -0.015 1.00 0.00 N ATOM 788 CA GLY A 127 12.295 -9.152 0.593 1.00 0.00 C ATOM 789 C GLY A 127 12.246 -8.438 1.929 1.00 0.00 C ATOM 790 O GLY A 127 13.167 -7.701 2.282 1.00 0.00 O ATOM 0 H GLY A 127 10.215 -9.400 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.729 -10.143 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.953 -8.606 -0.083 1.00 0.00 H new ATOM 794 N PHE A 128 11.168 -8.656 2.675 1.00 0.00 N ATOM 795 CA PHE A 128 11.001 -8.026 3.980 1.00 0.00 C ATOM 796 C PHE A 128 10.411 -9.008 4.987 1.00 0.00 C ATOM 797 O PHE A 128 9.225 -9.333 4.931 1.00 0.00 O ATOM 798 CB PHE A 128 10.100 -6.794 3.864 1.00 0.00 C ATOM 799 CG PHE A 128 10.695 -5.693 3.033 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.007 -5.293 3.225 1.00 0.00 C ATOM 801 CD2 PHE A 128 9.941 -5.058 2.059 1.00 0.00 C ATOM 802 CE1 PHE A 128 12.557 -4.280 2.462 1.00 0.00 C ATOM 803 CE2 PHE A 128 10.485 -4.045 1.292 1.00 0.00 C ATOM 804 CZ PHE A 128 11.795 -3.655 1.495 1.00 0.00 C ATOM 0 H PHE A 128 10.397 -9.264 2.398 1.00 0.00 H new ATOM 0 HA PHE A 128 11.984 -7.717 4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.146 -7.091 3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.890 -6.412 4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.608 -5.778 3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 128 8.916 -5.358 1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 128 13.581 -3.978 2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 128 9.887 -3.559 0.535 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.222 -2.863 0.898 1.00 0.00 H new ATOM 814 N ASP A 129 11.247 -9.478 5.906 1.00 0.00 N ATOM 815 CA ASP A 129 10.809 -10.423 6.926 1.00 0.00 C ATOM 816 C ASP A 129 10.229 -9.690 8.132 1.00 0.00 C ATOM 817 O ASP A 129 10.960 -9.288 9.037 1.00 0.00 O ATOM 818 CB ASP A 129 11.976 -11.309 7.366 1.00 0.00 C ATOM 819 CG ASP A 129 12.803 -11.801 6.194 1.00 0.00 C ATOM 820 OD1 ASP A 129 12.234 -11.968 5.094 1.00 0.00 O ATOM 821 OD2 ASP A 129 14.019 -12.017 6.375 1.00 0.00 O ATOM 0 H ASP A 129 12.232 -9.220 5.965 1.00 0.00 H new ATOM 0 HA ASP A 129 10.029 -11.050 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.616 -10.750 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.590 -12.165 7.919 1.00 0.00 H new ATOM 826 N ARG A 130 8.911 -9.520 8.137 1.00 0.00 N ATOM 827 CA ARG A 130 8.233 -8.834 9.230 1.00 0.00 C ATOM 828 C ARG A 130 6.907 -9.514 9.559 1.00 0.00 C ATOM 829 O ARG A 130 6.176 -9.937 8.664 1.00 0.00 O ATOM 830 CB ARG A 130 7.991 -7.368 8.868 1.00 0.00 C ATOM 831 CG ARG A 130 9.204 -6.479 9.083 1.00 0.00 C ATOM 832 CD ARG A 130 9.440 -6.206 10.560 1.00 0.00 C ATOM 833 NE ARG A 130 10.803 -5.750 10.821 1.00 0.00 N ATOM 834 CZ ARG A 130 11.370 -5.780 12.022 1.00 0.00 C ATOM 835 NH1 ARG A 130 10.696 -6.242 13.066 1.00 0.00 N ATOM 836 NH2 ARG A 130 12.615 -5.348 12.180 1.00 0.00 N ATOM 0 H ARG A 130 8.291 -9.848 7.396 1.00 0.00 H new ATOM 0 HA ARG A 130 8.874 -8.882 10.110 1.00 0.00 H new ATOM 0 HB2 ARG A 130 7.687 -7.306 7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 130 7.162 -6.987 9.465 1.00 0.00 H new ATOM 0 HG2 ARG A 130 10.086 -6.955 8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 130 9.063 -5.536 8.556 1.00 0.00 H new ATOM 0 HD2 ARG A 130 8.733 -5.453 10.907 1.00 0.00 H new ATOM 0 HD3 ARG A 130 9.245 -7.113 11.132 1.00 0.00 H new ATOM 0 HE ARG A 130 11.349 -5.389 10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.739 -6.576 12.948 1.00 0.00 H new ATOM 0 HH12 ARG A 130 11.134 -6.264 13.987 1.00 0.00 H new ATOM 0 HH21 ARG A 130 13.137 -4.993 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 130 13.050 -5.371 13.102 1.00 0.00 H new ATOM 850 N SER A 131 6.604 -9.615 10.849 1.00 0.00 N ATOM 851 CA SER A 131 5.368 -10.247 11.297 1.00 0.00 C ATOM 852 C SER A 131 4.153 -9.433 10.862 1.00 0.00 C ATOM 853 O SER A 131 4.236 -8.229 10.618 1.00 0.00 O ATOM 854 CB SER A 131 5.373 -10.404 12.819 1.00 0.00 C ATOM 855 OG SER A 131 6.225 -11.464 13.219 1.00 0.00 O ATOM 0 H SER A 131 7.197 -9.267 11.603 1.00 0.00 H new ATOM 0 HA SER A 131 5.306 -11.233 10.838 1.00 0.00 H new ATOM 0 HB2 SER A 131 5.702 -9.474 13.283 1.00 0.00 H new ATOM 0 HB3 SER A 131 4.359 -10.595 13.172 1.00 0.00 H new ATOM 0 HG SER A 131 6.212 -11.543 14.196 1.00 0.00 H new ATOM 861 N PRO A 132 2.997 -10.105 10.763 1.00 0.00 N ATOM 862 CA PRO A 132 1.742 -9.465 10.359 1.00 0.00 C ATOM 863 C PRO A 132 1.209 -8.510 11.421 1.00 0.00 C ATOM 864 O PRO A 132 0.795 -7.391 11.115 1.00 0.00 O ATOM 865 CB PRO A 132 0.785 -10.645 10.173 1.00 0.00 C ATOM 866 CG PRO A 132 1.332 -11.717 11.051 1.00 0.00 C ATOM 867 CD PRO A 132 2.825 -11.541 11.039 1.00 0.00 C ATOM 0 HA PRO A 132 1.867 -8.854 9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -0.232 -10.379 10.460 1.00 0.00 H new ATOM 0 HB3 PRO A 132 0.749 -10.966 9.132 1.00 0.00 H new ATOM 0 HG2 PRO A 132 0.937 -11.631 12.063 1.00 0.00 H new ATOM 0 HG3 PRO A 132 1.052 -12.704 10.682 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.271 -11.823 11.993 1.00 0.00 H new ATOM 0 HD3 PRO A 132 3.296 -12.157 10.273 1.00 0.00 H new ATOM 875 N THR A 133 1.222 -8.957 12.673 1.00 0.00 N ATOM 876 CA THR A 133 0.740 -8.143 13.781 1.00 0.00 C ATOM 877 C THR A 133 1.510 -6.830 13.874 1.00 0.00 C ATOM 878 O THR A 133 0.975 -5.816 14.321 1.00 0.00 O ATOM 879 CB THR A 133 0.859 -8.891 15.122 1.00 0.00 C ATOM 880 OG1 THR A 133 2.031 -9.715 15.121 1.00 0.00 O ATOM 881 CG2 THR A 133 -0.371 -9.750 15.373 1.00 0.00 C ATOM 0 H THR A 133 1.562 -9.880 12.945 1.00 0.00 H new ATOM 0 HA THR A 133 -0.311 -7.932 13.584 1.00 0.00 H new ATOM 0 HB THR A 133 0.936 -8.152 15.920 1.00 0.00 H new ATOM 0 HG1 THR A 133 2.101 -10.186 15.978 1.00 0.00 H new ATOM 0 HG21 THR A 133 -0.264 -10.269 16.326 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.257 -9.116 15.402 1.00 0.00 H new ATOM 0 HG23 THR A 133 -0.474 -10.481 14.571 1.00 0.00 H new ATOM 889 N MET A 134 2.769 -6.857 13.450 1.00 0.00 N ATOM 890 CA MET A 134 3.612 -5.667 13.484 1.00 0.00 C ATOM 891 C MET A 134 3.079 -4.596 12.538 1.00 0.00 C ATOM 892 O MET A 134 3.086 -3.408 12.863 1.00 0.00 O ATOM 893 CB MET A 134 5.051 -6.025 13.109 1.00 0.00 C ATOM 894 CG MET A 134 5.710 -6.992 14.080 1.00 0.00 C ATOM 895 SD MET A 134 6.494 -6.154 15.471 1.00 0.00 S ATOM 896 CE MET A 134 7.759 -5.209 14.626 1.00 0.00 C ATOM 0 H MET A 134 3.228 -7.689 13.079 1.00 0.00 H new ATOM 0 HA MET A 134 3.597 -5.270 14.499 1.00 0.00 H new ATOM 0 HB2 MET A 134 5.059 -6.463 12.111 1.00 0.00 H new ATOM 0 HB3 MET A 134 5.643 -5.111 13.061 1.00 0.00 H new ATOM 0 HG2 MET A 134 4.962 -7.689 14.456 1.00 0.00 H new ATOM 0 HG3 MET A 134 6.457 -7.582 13.549 1.00 0.00 H new ATOM 0 HE1 MET A 134 8.729 -5.414 15.078 1.00 0.00 H new ATOM 0 HE2 MET A 134 7.782 -5.492 13.574 1.00 0.00 H new ATOM 0 HE3 MET A 134 7.536 -4.145 14.711 1.00 0.00 H new ATOM 906 N CYS A 135 2.618 -5.023 11.368 1.00 0.00 N ATOM 907 CA CYS A 135 2.083 -4.099 10.374 1.00 0.00 C ATOM 908 C CYS A 135 0.744 -3.527 10.829 1.00 0.00 C ATOM 909 O CYS A 135 0.430 -2.366 10.563 1.00 0.00 O ATOM 910 CB CYS A 135 1.918 -4.805 9.027 1.00 0.00 C ATOM 911 SG CYS A 135 3.458 -5.465 8.346 1.00 0.00 S ATOM 0 H CYS A 135 2.604 -6.003 11.084 1.00 0.00 H new ATOM 0 HA CYS A 135 2.790 -3.277 10.261 1.00 0.00 H new ATOM 0 HB2 CYS A 135 1.205 -5.621 9.142 1.00 0.00 H new ATOM 0 HB3 CYS A 135 1.488 -4.104 8.312 1.00 0.00 H new ATOM 0 HG CYS A 135 3.868 -6.455 9.081 1.00 0.00 H new ATOM 917 N THR A 136 -0.043 -4.350 11.515 1.00 0.00 N ATOM 918 CA THR A 136 -1.349 -3.927 12.005 1.00 0.00 C ATOM 919 C THR A 136 -1.218 -2.780 13.000 1.00 0.00 C ATOM 920 O THR A 136 -1.907 -1.766 12.887 1.00 0.00 O ATOM 921 CB THR A 136 -2.100 -5.092 12.677 1.00 0.00 C ATOM 922 OG1 THR A 136 -2.316 -6.146 11.733 1.00 0.00 O ATOM 923 CG2 THR A 136 -3.436 -4.623 13.235 1.00 0.00 C ATOM 0 H THR A 136 0.201 -5.313 11.744 1.00 0.00 H new ATOM 0 HA THR A 136 -1.918 -3.589 11.139 1.00 0.00 H new ATOM 0 HB THR A 136 -1.489 -5.462 13.500 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.802 -5.796 10.957 1.00 0.00 H new ATOM 0 HG21 THR A 136 -3.949 -5.462 13.705 1.00 0.00 H new ATOM 0 HG22 THR A 136 -3.267 -3.841 13.975 1.00 0.00 H new ATOM 0 HG23 THR A 136 -4.051 -4.230 12.425 1.00 0.00 H new ATOM 931 N ASP A 137 -0.329 -2.945 13.973 1.00 0.00 N ATOM 932 CA ASP A 137 -0.106 -1.922 14.987 1.00 0.00 C ATOM 933 C ASP A 137 0.551 -0.687 14.378 1.00 0.00 C ATOM 934 O ASP A 137 0.093 0.438 14.581 1.00 0.00 O ATOM 935 CB ASP A 137 0.765 -2.474 16.117 1.00 0.00 C ATOM 936 CG ASP A 137 0.482 -1.803 17.447 1.00 0.00 C ATOM 937 OD1 ASP A 137 -0.674 -1.386 17.667 1.00 0.00 O ATOM 938 OD2 ASP A 137 1.417 -1.696 18.267 1.00 0.00 O ATOM 0 H ASP A 137 0.249 -3.778 14.081 1.00 0.00 H new ATOM 0 HA ASP A 137 -1.075 -1.632 15.394 1.00 0.00 H new ATOM 0 HB2 ASP A 137 0.596 -3.547 16.211 1.00 0.00 H new ATOM 0 HB3 ASP A 137 1.816 -2.338 15.861 1.00 0.00 H new ATOM 943 N LYS A 138 1.628 -0.904 13.631 1.00 0.00 N ATOM 944 CA LYS A 138 2.350 0.190 12.992 1.00 0.00 C ATOM 945 C LYS A 138 1.404 1.056 12.166 1.00 0.00 C ATOM 946 O LYS A 138 1.388 2.279 12.304 1.00 0.00 O ATOM 947 CB LYS A 138 3.465 -0.360 12.101 1.00 0.00 C ATOM 948 CG LYS A 138 4.054 0.673 11.156 1.00 0.00 C ATOM 949 CD LYS A 138 4.738 1.798 11.916 1.00 0.00 C ATOM 950 CE LYS A 138 5.698 2.570 11.024 1.00 0.00 C ATOM 951 NZ LYS A 138 5.025 3.084 9.799 1.00 0.00 N ATOM 0 H LYS A 138 2.021 -1.828 13.453 1.00 0.00 H new ATOM 0 HA LYS A 138 2.791 0.808 13.774 1.00 0.00 H new ATOM 0 HB2 LYS A 138 4.260 -0.758 12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 138 3.074 -1.193 11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 138 4.772 0.192 10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.264 1.085 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.986 2.478 12.317 1.00 0.00 H new ATOM 0 HD3 LYS A 138 5.281 1.386 12.767 1.00 0.00 H new ATOM 0 HE2 LYS A 138 6.122 3.404 11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 138 6.528 1.924 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 5.593 3.852 9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.930 2.314 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 4.082 3.445 10.047 1.00 0.00 H new ATOM 965 N TRP A 139 0.618 0.414 11.309 1.00 0.00 N ATOM 966 CA TRP A 139 -0.331 1.126 10.462 1.00 0.00 C ATOM 967 C TRP A 139 -1.240 2.022 11.296 1.00 0.00 C ATOM 968 O TRP A 139 -1.381 3.212 11.015 1.00 0.00 O ATOM 969 CB TRP A 139 -1.172 0.134 9.657 1.00 0.00 C ATOM 970 CG TRP A 139 -2.217 0.793 8.808 1.00 0.00 C ATOM 971 CD1 TRP A 139 -3.556 0.868 9.068 1.00 0.00 C ATOM 972 CD2 TRP A 139 -2.010 1.467 7.563 1.00 0.00 C ATOM 973 NE1 TRP A 139 -4.193 1.548 8.058 1.00 0.00 N ATOM 974 CE2 TRP A 139 -3.267 1.927 7.123 1.00 0.00 C ATOM 975 CE3 TRP A 139 -0.885 1.729 6.776 1.00 0.00 C ATOM 976 CZ2 TRP A 139 -3.427 2.632 5.934 1.00 0.00 C ATOM 977 CZ3 TRP A 139 -1.045 2.429 5.596 1.00 0.00 C ATOM 978 CH2 TRP A 139 -2.308 2.875 5.184 1.00 0.00 C ATOM 0 H TRP A 139 0.619 -0.598 11.183 1.00 0.00 H new ATOM 0 HA TRP A 139 0.235 1.754 9.774 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -0.514 -0.455 9.018 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.656 -0.561 10.343 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -4.042 0.454 9.939 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -5.194 1.740 8.012 1.00 0.00 H new ATOM 0 HE3 TRP A 139 0.093 1.390 7.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.400 2.975 5.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.182 2.636 4.980 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.400 3.421 4.257 1.00 0.00 H new ATOM 989 N ARG A 140 -1.853 1.443 12.323 1.00 0.00 N ATOM 990 CA ARG A 140 -2.749 2.190 13.198 1.00 0.00 C ATOM 991 C ARG A 140 -2.120 3.516 13.616 1.00 0.00 C ATOM 992 O ARG A 140 -2.774 4.558 13.597 1.00 0.00 O ATOM 993 CB ARG A 140 -3.093 1.363 14.438 1.00 0.00 C ATOM 994 CG ARG A 140 -4.313 0.474 14.258 1.00 0.00 C ATOM 995 CD ARG A 140 -4.611 -0.325 15.518 1.00 0.00 C ATOM 996 NE ARG A 140 -5.255 -1.600 15.217 1.00 0.00 N ATOM 997 CZ ARG A 140 -5.765 -2.403 16.144 1.00 0.00 C ATOM 998 NH1 ARG A 140 -5.707 -2.062 17.425 1.00 0.00 N ATOM 999 NH2 ARG A 140 -6.336 -3.548 15.792 1.00 0.00 N ATOM 0 H ARG A 140 -1.746 0.459 12.570 1.00 0.00 H new ATOM 0 HA ARG A 140 -3.664 2.400 12.645 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -2.236 0.742 14.699 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -3.265 2.037 15.277 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -5.177 1.087 14.002 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -4.148 -0.208 13.424 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -3.683 -0.507 16.060 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -5.255 0.260 16.175 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.317 -1.890 14.241 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -5.270 -1.182 17.699 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -6.099 -2.680 18.135 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -6.384 -3.813 14.808 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -6.727 -4.163 16.505 1.00 0.00 H new ATOM 1013 N ASN A 141 -0.847 3.468 13.994 1.00 0.00 N ATOM 1014 CA ASN A 141 -0.130 4.665 14.418 1.00 0.00 C ATOM 1015 C ASN A 141 -0.013 5.664 13.271 1.00 0.00 C ATOM 1016 O ASN A 141 -0.122 6.874 13.474 1.00 0.00 O ATOM 1017 CB ASN A 141 1.264 4.295 14.931 1.00 0.00 C ATOM 1018 CG ASN A 141 1.784 5.285 15.955 1.00 0.00 C ATOM 1019 OD1 ASN A 141 1.084 6.220 16.343 1.00 0.00 O ATOM 1020 ND2 ASN A 141 3.020 5.083 16.397 1.00 0.00 N ATOM 0 H ASN A 141 -0.291 2.613 14.015 1.00 0.00 H new ATOM 0 HA ASN A 141 -0.696 5.130 15.225 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.233 3.300 15.375 1.00 0.00 H new ATOM 0 HB3 ASN A 141 1.957 4.248 14.091 1.00 0.00 H new ATOM 0 HD21 ASN A 141 3.425 5.717 17.086 1.00 0.00 H new ATOM 0 HD22 ASN A 141 3.564 4.294 16.047 1.00 0.00 H new ATOM 1027 N LEU A 142 0.208 5.150 12.066 1.00 0.00 N ATOM 1028 CA LEU A 142 0.339 5.996 10.885 1.00 0.00 C ATOM 1029 C LEU A 142 -0.937 6.796 10.645 1.00 0.00 C ATOM 1030 O LEU A 142 -0.892 7.926 10.158 1.00 0.00 O ATOM 1031 CB LEU A 142 0.660 5.145 9.656 1.00 0.00 C ATOM 1032 CG LEU A 142 2.078 4.577 9.585 1.00 0.00 C ATOM 1033 CD1 LEU A 142 2.188 3.553 8.466 1.00 0.00 C ATOM 1034 CD2 LEU A 142 3.091 5.696 9.388 1.00 0.00 C ATOM 0 H LEU A 142 0.300 4.151 11.881 1.00 0.00 H new ATOM 0 HA LEU A 142 1.157 6.695 11.058 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -0.045 4.314 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.487 5.749 8.765 1.00 0.00 H new ATOM 0 HG LEU A 142 2.296 4.078 10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.204 3.160 8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 142 1.489 2.737 8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.949 4.027 7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 142 4.095 5.274 9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.874 6.224 8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 142 3.030 6.393 10.224 1.00 0.00 H new ATOM 1046 N LEU A 143 -2.075 6.203 10.991 1.00 0.00 N ATOM 1047 CA LEU A 143 -3.365 6.861 10.815 1.00 0.00 C ATOM 1048 C LEU A 143 -3.530 8.009 11.805 1.00 0.00 C ATOM 1049 O LEU A 143 -3.907 9.119 11.429 1.00 0.00 O ATOM 1050 CB LEU A 143 -4.502 5.853 10.991 1.00 0.00 C ATOM 1051 CG LEU A 143 -4.375 4.553 10.195 1.00 0.00 C ATOM 1052 CD1 LEU A 143 -5.435 3.554 10.634 1.00 0.00 C ATOM 1053 CD2 LEU A 143 -4.484 4.828 8.703 1.00 0.00 C ATOM 0 H LEU A 143 -2.130 5.268 11.395 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.402 7.269 9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -4.578 5.602 12.049 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.437 6.338 10.711 1.00 0.00 H new ATOM 0 HG LEU A 143 -3.394 4.122 10.393 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -5.330 2.635 10.057 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -5.310 3.333 11.694 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -6.425 3.977 10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.391 3.892 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.451 5.282 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -3.688 5.508 8.399 1.00 0.00 H new ATOM 1065 N LYS A 144 -3.244 7.735 13.073 1.00 0.00 N ATOM 1066 CA LYS A 144 -3.357 8.745 14.119 1.00 0.00 C ATOM 1067 C LYS A 144 -2.470 9.947 13.813 1.00 0.00 C ATOM 1068 O LYS A 144 -2.880 11.094 13.989 1.00 0.00 O ATOM 1069 CB LYS A 144 -2.977 8.149 15.476 1.00 0.00 C ATOM 1070 CG LYS A 144 -4.145 7.513 16.210 1.00 0.00 C ATOM 1071 CD LYS A 144 -5.006 8.558 16.899 1.00 0.00 C ATOM 1072 CE LYS A 144 -4.364 9.048 18.188 1.00 0.00 C ATOM 1073 NZ LYS A 144 -4.402 8.010 19.256 1.00 0.00 N ATOM 0 H LYS A 144 -2.932 6.821 13.402 1.00 0.00 H new ATOM 0 HA LYS A 144 -4.393 9.081 14.154 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -2.200 7.399 15.329 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -2.550 8.933 16.101 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -4.753 6.946 15.505 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.770 6.805 16.949 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.164 9.401 16.227 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -5.987 8.136 17.117 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -3.330 9.331 17.994 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -4.880 9.944 18.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -4.212 8.453 20.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -5.341 7.564 19.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.679 7.287 19.064 1.00 0.00 H new ATOM 1087 N GLU A 145 -1.252 9.676 13.353 1.00 0.00 N ATOM 1088 CA GLU A 145 -0.308 10.737 13.023 1.00 0.00 C ATOM 1089 C GLU A 145 -0.706 11.436 11.726 1.00 0.00 C ATOM 1090 O GLU A 145 -0.647 12.661 11.624 1.00 0.00 O ATOM 1091 CB GLU A 145 1.107 10.169 12.894 1.00 0.00 C ATOM 1092 CG GLU A 145 1.308 9.309 11.658 1.00 0.00 C ATOM 1093 CD GLU A 145 2.702 8.717 11.579 1.00 0.00 C ATOM 1094 OE1 GLU A 145 3.103 8.013 12.528 1.00 0.00 O ATOM 1095 OE2 GLU A 145 3.392 8.959 10.566 1.00 0.00 O ATOM 0 H GLU A 145 -0.897 8.732 13.201 1.00 0.00 H new ATOM 0 HA GLU A 145 -0.327 11.469 13.831 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.820 10.993 12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 145 1.333 9.575 13.780 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.574 8.503 11.658 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.122 9.910 10.768 1.00 0.00 H new