USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 501 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 Set 1.1: A 94 SER OG : rot 83:sc= 0.0364 USER MOD Set 1.2: A 126 LYS NZ :NH3+ -105:sc= -0.452 (180deg=-1.14) USER MOD Set 2.1: A 109 SER OG : rot -107:sc= 0.198 USER MOD Set 2.2: A 114 HIS : no HE2:sc= -5.89! C(o=-5.7!,f=-3.6!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 94:sc= 1.29 USER MOD Single : A 97 MET CE :methyl -169:sc= 0 (180deg=-0.146) USER MOD Single : A 102 MET CE :methyl 173:sc= -4.92! (180deg=-5.32!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 28:sc= 0.355 USER MOD Single : A 112 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 120 SER OG : rot -31:sc= 0.829 USER MOD Single : A 121 SER OG : rot -12:sc= 0.767 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -104:sc= -0.426 (180deg=-3.87!) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 146:sc= -2.59! (180deg=-5.45!) USER MOD Single : A 135 CYS SG : rot 180:sc= 0.005 USER MOD Single : A 136 THR OG1 : rot -53:sc= 0.00306 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -1.05 K(o=-1,f=-3.1!) USER MOD Single : A 144 LYS NZ :NH3+ 143:sc= -0.229 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 10.047 -0.399 10.866 1.00 0.00 N ATOM 109 CA TRP A 87 9.597 -0.584 9.490 1.00 0.00 C ATOM 110 C TRP A 87 10.573 0.054 8.508 1.00 0.00 C ATOM 111 O TRP A 87 11.107 1.135 8.762 1.00 0.00 O ATOM 112 CB TRP A 87 8.202 0.013 9.303 1.00 0.00 C ATOM 113 CG TRP A 87 7.105 -0.864 9.827 1.00 0.00 C ATOM 114 CD1 TRP A 87 6.693 -0.974 11.124 1.00 0.00 C ATOM 115 CD2 TRP A 87 6.283 -1.755 9.066 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.664 -1.880 11.215 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.393 -2.372 9.966 1.00 0.00 C ATOM 118 CE3 TRP A 87 6.210 -2.090 7.711 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.445 -3.305 9.554 1.00 0.00 C ATOM 120 CZ3 TRP A 87 5.269 -3.016 7.303 1.00 0.00 C ATOM 121 CH2 TRP A 87 4.396 -3.614 8.222 1.00 0.00 C ATOM 0 HA TRP A 87 9.556 -1.654 9.288 1.00 0.00 H new ATOM 0 HB2 TRP A 87 8.157 0.979 9.807 1.00 0.00 H new ATOM 0 HB3 TRP A 87 8.033 0.199 8.242 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.114 -0.429 11.956 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.180 -2.143 12.074 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.877 -1.633 6.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.772 -3.768 10.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 5.205 -3.283 6.259 1.00 0.00 H new ATOM 0 HH2 TRP A 87 3.670 -4.333 7.872 1.00 0.00 H new ATOM 132 N VAL A 88 10.802 -0.619 7.385 1.00 0.00 N ATOM 133 CA VAL A 88 11.713 -0.116 6.364 1.00 0.00 C ATOM 134 C VAL A 88 10.947 0.426 5.163 1.00 0.00 C ATOM 135 O VAL A 88 9.749 0.186 5.020 1.00 0.00 O ATOM 136 CB VAL A 88 12.683 -1.214 5.888 1.00 0.00 C ATOM 137 CG1 VAL A 88 13.604 -1.642 7.020 1.00 0.00 C ATOM 138 CG2 VAL A 88 11.912 -2.404 5.338 1.00 0.00 C ATOM 0 H VAL A 88 10.369 -1.514 7.159 1.00 0.00 H new ATOM 0 HA VAL A 88 12.286 0.692 6.820 1.00 0.00 H new ATOM 0 HB VAL A 88 13.299 -0.807 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.282 -2.418 6.664 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.183 -0.784 7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.009 -2.031 7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.613 -3.170 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.270 -2.813 6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.300 -2.083 4.495 1.00 0.00 H new ATOM 148 N GLN A 89 11.647 1.159 4.303 1.00 0.00 N ATOM 149 CA GLN A 89 11.032 1.735 3.114 1.00 0.00 C ATOM 150 C GLN A 89 10.396 0.651 2.250 1.00 0.00 C ATOM 151 O GLN A 89 9.351 0.867 1.635 1.00 0.00 O ATOM 152 CB GLN A 89 12.071 2.509 2.300 1.00 0.00 C ATOM 153 CG GLN A 89 12.212 3.963 2.719 1.00 0.00 C ATOM 154 CD GLN A 89 12.953 4.797 1.692 1.00 0.00 C ATOM 155 OE1 GLN A 89 12.342 5.421 0.824 1.00 0.00 O ATOM 156 NE2 GLN A 89 14.277 4.812 1.785 1.00 0.00 N ATOM 0 H GLN A 89 12.640 1.368 4.408 1.00 0.00 H new ATOM 0 HA GLN A 89 10.250 2.422 3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.038 2.016 2.398 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.798 2.468 1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.221 4.388 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.740 4.013 3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.743 4.280 2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.829 5.355 1.121 1.00 0.00 H new ATOM 165 N ASP A 90 11.033 -0.514 2.207 1.00 0.00 N ATOM 166 CA ASP A 90 10.529 -1.632 1.419 1.00 0.00 C ATOM 167 C ASP A 90 9.156 -2.073 1.917 1.00 0.00 C ATOM 168 O ASP A 90 8.144 -1.847 1.255 1.00 0.00 O ATOM 169 CB ASP A 90 11.507 -2.807 1.477 1.00 0.00 C ATOM 170 CG ASP A 90 12.870 -2.453 0.915 1.00 0.00 C ATOM 171 OD1 ASP A 90 12.934 -1.593 0.012 1.00 0.00 O ATOM 172 OD2 ASP A 90 13.872 -3.036 1.378 1.00 0.00 O ATOM 0 H ASP A 90 11.899 -0.708 2.709 1.00 0.00 H new ATOM 0 HA ASP A 90 10.432 -1.301 0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.617 -3.134 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.094 -3.648 0.919 1.00 0.00 H new ATOM 177 N GLU A 91 9.130 -2.704 3.087 1.00 0.00 N ATOM 178 CA GLU A 91 7.881 -3.177 3.671 1.00 0.00 C ATOM 179 C GLU A 91 6.824 -2.077 3.661 1.00 0.00 C ATOM 180 O GLU A 91 5.656 -2.324 3.359 1.00 0.00 O ATOM 181 CB GLU A 91 8.114 -3.662 5.104 1.00 0.00 C ATOM 182 CG GLU A 91 9.154 -4.765 5.211 1.00 0.00 C ATOM 183 CD GLU A 91 9.092 -5.498 6.537 1.00 0.00 C ATOM 184 OE1 GLU A 91 8.019 -6.050 6.860 1.00 0.00 O ATOM 185 OE2 GLU A 91 10.116 -5.520 7.252 1.00 0.00 O ATOM 0 H GLU A 91 9.959 -2.899 3.648 1.00 0.00 H new ATOM 0 HA GLU A 91 7.520 -4.009 3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.427 -2.818 5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.171 -4.022 5.515 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.008 -5.477 4.399 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.148 -4.336 5.083 1.00 0.00 H new ATOM 192 N THR A 92 7.242 -0.860 3.994 1.00 0.00 N ATOM 193 CA THR A 92 6.332 0.279 4.025 1.00 0.00 C ATOM 194 C THR A 92 5.686 0.503 2.663 1.00 0.00 C ATOM 195 O THR A 92 4.474 0.351 2.508 1.00 0.00 O ATOM 196 CB THR A 92 7.059 1.567 4.454 1.00 0.00 C ATOM 197 OG1 THR A 92 7.615 1.403 5.764 1.00 0.00 O ATOM 198 CG2 THR A 92 6.108 2.754 4.447 1.00 0.00 C ATOM 0 H THR A 92 8.205 -0.637 4.246 1.00 0.00 H new ATOM 0 HA THR A 92 5.559 0.046 4.757 1.00 0.00 H new ATOM 0 HB THR A 92 7.860 1.760 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.548 1.113 5.689 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.645 3.652 4.753 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.709 2.895 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.288 2.567 5.140 1.00 0.00 H new ATOM 206 N ARG A 93 6.501 0.865 1.679 1.00 0.00 N ATOM 207 CA ARG A 93 6.008 1.111 0.329 1.00 0.00 C ATOM 208 C ARG A 93 5.151 -0.054 -0.157 1.00 0.00 C ATOM 209 O ARG A 93 4.023 0.138 -0.610 1.00 0.00 O ATOM 210 CB ARG A 93 7.177 1.334 -0.632 1.00 0.00 C ATOM 211 CG ARG A 93 6.813 2.167 -1.850 1.00 0.00 C ATOM 212 CD ARG A 93 8.054 2.645 -2.589 1.00 0.00 C ATOM 213 NE ARG A 93 8.726 3.733 -1.884 1.00 0.00 N ATOM 214 CZ ARG A 93 9.554 4.589 -2.472 1.00 0.00 C ATOM 215 NH1 ARG A 93 9.811 4.483 -3.769 1.00 0.00 N ATOM 216 NH2 ARG A 93 10.127 5.554 -1.763 1.00 0.00 N ATOM 0 H ARG A 93 7.507 0.995 1.791 1.00 0.00 H new ATOM 0 HA ARG A 93 5.391 2.009 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.989 1.825 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.554 0.366 -0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.192 1.577 -2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.219 3.027 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.746 1.812 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.775 2.979 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 93 8.550 3.842 -0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.372 3.743 -4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.447 5.142 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.932 5.639 -0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.763 6.211 -2.216 1.00 0.00 H new ATOM 230 N SER A 94 5.696 -1.263 -0.061 1.00 0.00 N ATOM 231 CA SER A 94 4.984 -2.459 -0.496 1.00 0.00 C ATOM 232 C SER A 94 3.611 -2.543 0.164 1.00 0.00 C ATOM 233 O SER A 94 2.581 -2.489 -0.511 1.00 0.00 O ATOM 234 CB SER A 94 5.799 -3.711 -0.165 1.00 0.00 C ATOM 235 OG SER A 94 6.982 -3.770 -0.942 1.00 0.00 O ATOM 0 H SER A 94 6.628 -1.440 0.314 1.00 0.00 H new ATOM 0 HA SER A 94 4.846 -2.398 -1.576 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.056 -3.712 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.196 -4.600 -0.348 1.00 0.00 H new ATOM 0 HG SER A 94 7.676 -3.218 -0.524 1.00 0.00 H new ATOM 241 N LEU A 95 3.603 -2.675 1.485 1.00 0.00 N ATOM 242 CA LEU A 95 2.357 -2.767 2.238 1.00 0.00 C ATOM 243 C LEU A 95 1.281 -1.879 1.620 1.00 0.00 C ATOM 244 O LEU A 95 0.196 -2.350 1.276 1.00 0.00 O ATOM 245 CB LEU A 95 2.588 -2.367 3.696 1.00 0.00 C ATOM 246 CG LEU A 95 1.345 -1.956 4.485 1.00 0.00 C ATOM 247 CD1 LEU A 95 0.488 -3.171 4.804 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.739 -1.228 5.762 1.00 0.00 C ATOM 0 H LEU A 95 4.446 -2.721 2.058 1.00 0.00 H new ATOM 0 HA LEU A 95 2.015 -3.801 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.060 -3.204 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.297 -1.539 3.717 1.00 0.00 H new ATOM 0 HG LEU A 95 0.757 -1.275 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.392 -2.858 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.175 -3.649 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.066 -3.878 5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.841 -0.943 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.350 -1.885 6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.309 -0.334 5.510 1.00 0.00 H new ATOM 260 N ILE A 96 1.590 -0.594 1.480 1.00 0.00 N ATOM 261 CA ILE A 96 0.651 0.358 0.901 1.00 0.00 C ATOM 262 C ILE A 96 0.192 -0.094 -0.482 1.00 0.00 C ATOM 263 O ILE A 96 -1.005 -0.153 -0.761 1.00 0.00 O ATOM 264 CB ILE A 96 1.271 1.763 0.789 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.731 2.252 2.164 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.272 2.736 0.181 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.638 3.461 2.103 1.00 0.00 C ATOM 0 H ILE A 96 2.483 -0.189 1.760 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.208 0.401 1.571 1.00 0.00 H new ATOM 0 HB ILE A 96 2.140 1.709 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.855 2.495 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.253 1.442 2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.725 3.725 0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.011 2.393 -0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.615 2.789 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.925 3.752 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.532 3.217 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.112 4.286 1.623 1.00 0.00 H new ATOM 279 N MET A 97 1.153 -0.414 -1.343 1.00 0.00 N ATOM 280 CA MET A 97 0.847 -0.865 -2.695 1.00 0.00 C ATOM 281 C MET A 97 -0.227 -1.948 -2.678 1.00 0.00 C ATOM 282 O MET A 97 -1.300 -1.781 -3.259 1.00 0.00 O ATOM 283 CB MET A 97 2.110 -1.394 -3.378 1.00 0.00 C ATOM 284 CG MET A 97 1.980 -1.516 -4.887 1.00 0.00 C ATOM 285 SD MET A 97 3.020 -2.820 -5.571 1.00 0.00 S ATOM 286 CE MET A 97 4.633 -2.310 -4.984 1.00 0.00 C ATOM 0 H MET A 97 2.149 -0.369 -1.128 1.00 0.00 H new ATOM 0 HA MET A 97 0.468 -0.012 -3.258 1.00 0.00 H new ATOM 0 HB2 MET A 97 2.943 -0.731 -3.146 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.355 -2.371 -2.963 1.00 0.00 H new ATOM 0 HG2 MET A 97 0.939 -1.715 -5.143 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.246 -0.565 -5.349 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.404 -2.899 -5.481 1.00 0.00 H new ATOM 0 HE2 MET A 97 4.784 -1.253 -5.206 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.695 -2.467 -3.907 1.00 0.00 H new ATOM 296 N PHE A 98 0.068 -3.057 -2.009 1.00 0.00 N ATOM 297 CA PHE A 98 -0.872 -4.168 -1.917 1.00 0.00 C ATOM 298 C PHE A 98 -2.266 -3.671 -1.544 1.00 0.00 C ATOM 299 O PHE A 98 -3.267 -4.116 -2.106 1.00 0.00 O ATOM 300 CB PHE A 98 -0.389 -5.189 -0.885 1.00 0.00 C ATOM 301 CG PHE A 98 1.031 -5.628 -1.096 1.00 0.00 C ATOM 302 CD1 PHE A 98 1.477 -5.997 -2.355 1.00 0.00 C ATOM 303 CD2 PHE A 98 1.922 -5.672 -0.035 1.00 0.00 C ATOM 304 CE1 PHE A 98 2.783 -6.402 -2.552 1.00 0.00 C ATOM 305 CE2 PHE A 98 3.230 -6.077 -0.226 1.00 0.00 C ATOM 306 CZ PHE A 98 3.661 -6.441 -1.486 1.00 0.00 C ATOM 0 H PHE A 98 0.951 -3.211 -1.522 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.926 -4.648 -2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.484 -4.759 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.040 -6.063 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.795 -5.968 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.591 -5.387 0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.117 -6.688 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.914 -6.109 0.609 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.683 -6.756 -1.638 1.00 0.00 H new ATOM 316 N ARG A 99 -2.323 -2.746 -0.591 1.00 0.00 N ATOM 317 CA ARG A 99 -3.593 -2.189 -0.141 1.00 0.00 C ATOM 318 C ARG A 99 -4.340 -1.535 -1.299 1.00 0.00 C ATOM 319 O ARG A 99 -5.401 -2.005 -1.710 1.00 0.00 O ATOM 320 CB ARG A 99 -3.360 -1.167 0.972 1.00 0.00 C ATOM 321 CG ARG A 99 -4.640 -0.543 1.504 1.00 0.00 C ATOM 322 CD ARG A 99 -5.263 -1.397 2.597 1.00 0.00 C ATOM 323 NE ARG A 99 -6.547 -0.863 3.044 1.00 0.00 N ATOM 324 CZ ARG A 99 -7.306 -1.447 3.964 1.00 0.00 C ATOM 325 NH1 ARG A 99 -6.912 -2.578 4.532 1.00 0.00 N ATOM 326 NH2 ARG A 99 -8.462 -0.899 4.317 1.00 0.00 N ATOM 0 H ARG A 99 -1.504 -2.367 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.202 -3.005 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.833 -1.652 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.709 -0.377 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.426 0.452 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.352 -0.418 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.402 -2.413 2.228 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -4.580 -1.456 3.445 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.879 0.006 2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.024 -3.002 4.263 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.497 -3.025 5.238 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.768 -0.029 3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.045 -1.348 5.024 1.00 0.00 H new ATOM 340 N ARG A 100 -3.780 -0.448 -1.820 1.00 0.00 N ATOM 341 CA ARG A 100 -4.394 0.272 -2.929 1.00 0.00 C ATOM 342 C ARG A 100 -4.952 -0.700 -3.965 1.00 0.00 C ATOM 343 O ARG A 100 -5.963 -0.423 -4.609 1.00 0.00 O ATOM 344 CB ARG A 100 -3.376 1.205 -3.586 1.00 0.00 C ATOM 345 CG ARG A 100 -2.625 2.080 -2.596 1.00 0.00 C ATOM 346 CD ARG A 100 -1.857 3.187 -3.302 1.00 0.00 C ATOM 347 NE ARG A 100 -0.517 2.758 -3.696 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.258 2.093 -4.816 1.00 0.00 C ATOM 349 NH1 ARG A 100 -1.242 1.782 -5.649 1.00 0.00 N ATOM 350 NH2 ARG A 100 0.987 1.737 -5.105 1.00 0.00 N ATOM 0 H ARG A 100 -2.902 -0.047 -1.492 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.217 0.866 -2.532 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.658 0.608 -4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.891 1.843 -4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.329 2.518 -1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.933 1.467 -2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.410 3.505 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.782 4.053 -2.644 1.00 0.00 H new ATOM 0 HE ARG A 100 0.262 2.982 -3.077 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.200 2.054 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.040 1.271 -6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.746 1.974 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.185 1.226 -5.965 1.00 0.00 H new ATOM 364 N GLY A 101 -4.285 -1.840 -4.120 1.00 0.00 N ATOM 365 CA GLY A 101 -4.729 -2.834 -5.079 1.00 0.00 C ATOM 366 C GLY A 101 -6.048 -3.469 -4.687 1.00 0.00 C ATOM 367 O GLY A 101 -6.989 -3.502 -5.480 1.00 0.00 O ATOM 0 H GLY A 101 -3.445 -2.092 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.831 -2.369 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.969 -3.610 -5.172 1.00 0.00 H new ATOM 371 N MET A 102 -6.118 -3.978 -3.461 1.00 0.00 N ATOM 372 CA MET A 102 -7.332 -4.616 -2.967 1.00 0.00 C ATOM 373 C MET A 102 -8.107 -3.673 -2.052 1.00 0.00 C ATOM 374 O MET A 102 -8.856 -4.115 -1.180 1.00 0.00 O ATOM 375 CB MET A 102 -6.988 -5.904 -2.217 1.00 0.00 C ATOM 376 CG MET A 102 -6.416 -6.993 -3.111 1.00 0.00 C ATOM 377 SD MET A 102 -6.175 -8.553 -2.238 1.00 0.00 S ATOM 378 CE MET A 102 -5.978 -7.972 -0.555 1.00 0.00 C ATOM 0 H MET A 102 -5.348 -3.961 -2.792 1.00 0.00 H new ATOM 0 HA MET A 102 -7.959 -4.860 -3.824 1.00 0.00 H new ATOM 0 HB2 MET A 102 -6.269 -5.676 -1.430 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.886 -6.281 -1.728 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.086 -7.154 -3.956 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.462 -6.659 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.944 -8.825 0.123 1.00 0.00 H new ATOM 0 HE2 MET A 102 -5.050 -7.406 -0.472 1.00 0.00 H new ATOM 0 HE3 MET A 102 -6.819 -7.331 -0.290 1.00 0.00 H new ATOM 388 N ASP A 103 -7.923 -2.374 -2.256 1.00 0.00 N ATOM 389 CA ASP A 103 -8.607 -1.369 -1.450 1.00 0.00 C ATOM 390 C ASP A 103 -10.118 -1.572 -1.494 1.00 0.00 C ATOM 391 O ASP A 103 -10.762 -1.742 -0.460 1.00 0.00 O ATOM 392 CB ASP A 103 -8.254 0.036 -1.941 1.00 0.00 C ATOM 393 CG ASP A 103 -8.751 1.119 -1.004 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.979 1.200 -0.789 1.00 0.00 O ATOM 395 OD2 ASP A 103 -7.913 1.885 -0.485 1.00 0.00 O ATOM 0 H ASP A 103 -7.306 -1.992 -2.973 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.274 -1.479 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.172 0.120 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.684 0.191 -2.931 1.00 0.00 H new ATOM 400 N GLY A 104 -10.678 -1.552 -2.700 1.00 0.00 N ATOM 401 CA GLY A 104 -12.109 -1.735 -2.856 1.00 0.00 C ATOM 402 C GLY A 104 -12.630 -2.925 -2.075 1.00 0.00 C ATOM 403 O GLY A 104 -13.672 -2.841 -1.424 1.00 0.00 O ATOM 0 H GLY A 104 -10.166 -1.412 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -12.625 -0.834 -2.526 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -12.342 -1.867 -3.912 1.00 0.00 H new ATOM 407 N LEU A 105 -11.907 -4.037 -2.141 1.00 0.00 N ATOM 408 CA LEU A 105 -12.303 -5.251 -1.436 1.00 0.00 C ATOM 409 C LEU A 105 -12.578 -4.960 0.036 1.00 0.00 C ATOM 410 O LEU A 105 -13.530 -5.484 0.616 1.00 0.00 O ATOM 411 CB LEU A 105 -11.213 -6.316 -1.562 1.00 0.00 C ATOM 412 CG LEU A 105 -11.175 -7.085 -2.883 1.00 0.00 C ATOM 413 CD1 LEU A 105 -9.848 -7.811 -3.040 1.00 0.00 C ATOM 414 CD2 LEU A 105 -12.335 -8.067 -2.962 1.00 0.00 C ATOM 0 H LEU A 105 -11.043 -4.123 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.220 -5.624 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.245 -5.836 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.338 -7.033 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 105 -11.274 -6.371 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.839 -8.353 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.034 -7.087 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.719 -8.515 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.292 -8.605 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.268 -8.777 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -13.277 -7.523 -2.896 1.00 0.00 H new ATOM 426 N PHE A 106 -11.740 -4.119 0.635 1.00 0.00 N ATOM 427 CA PHE A 106 -11.894 -3.757 2.039 1.00 0.00 C ATOM 428 C PHE A 106 -13.229 -3.057 2.277 1.00 0.00 C ATOM 429 O PHE A 106 -13.931 -3.349 3.244 1.00 0.00 O ATOM 430 CB PHE A 106 -10.744 -2.851 2.483 1.00 0.00 C ATOM 431 CG PHE A 106 -9.463 -3.592 2.741 1.00 0.00 C ATOM 432 CD1 PHE A 106 -9.280 -4.294 3.922 1.00 0.00 C ATOM 433 CD2 PHE A 106 -8.442 -3.585 1.805 1.00 0.00 C ATOM 434 CE1 PHE A 106 -8.102 -4.977 4.163 1.00 0.00 C ATOM 435 CE2 PHE A 106 -7.263 -4.266 2.040 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.092 -4.962 3.221 1.00 0.00 C ATOM 0 H PHE A 106 -10.948 -3.676 0.170 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.874 -4.673 2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.570 -2.096 1.716 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.038 -2.322 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.066 -4.308 4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.569 -3.041 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.972 -5.521 5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.476 -4.254 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.170 -5.493 3.407 1.00 0.00 H new ATOM 446 N ASN A 107 -13.571 -2.131 1.388 1.00 0.00 N ATOM 447 CA ASN A 107 -14.821 -1.387 1.501 1.00 0.00 C ATOM 448 C ASN A 107 -16.021 -2.325 1.419 1.00 0.00 C ATOM 449 O ASN A 107 -16.808 -2.429 2.361 1.00 0.00 O ATOM 450 CB ASN A 107 -14.910 -0.329 0.399 1.00 0.00 C ATOM 451 CG ASN A 107 -13.902 0.788 0.587 1.00 0.00 C ATOM 452 OD1 ASN A 107 -12.852 0.806 -0.055 1.00 0.00 O ATOM 453 ND2 ASN A 107 -14.218 1.727 1.472 1.00 0.00 N ATOM 0 H ASN A 107 -13.001 -1.877 0.581 1.00 0.00 H new ATOM 0 HA ASN A 107 -14.835 -0.892 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -14.747 -0.802 -0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.915 0.092 0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.579 2.503 1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -15.100 1.671 1.982 1.00 0.00 H new ATOM 460 N THR A 108 -16.155 -3.009 0.287 1.00 0.00 N ATOM 461 CA THR A 108 -17.259 -3.938 0.081 1.00 0.00 C ATOM 462 C THR A 108 -17.288 -5.006 1.168 1.00 0.00 C ATOM 463 O THR A 108 -18.210 -5.050 1.983 1.00 0.00 O ATOM 464 CB THR A 108 -17.167 -4.624 -1.295 1.00 0.00 C ATOM 465 OG1 THR A 108 -15.857 -5.172 -1.482 1.00 0.00 O ATOM 466 CG2 THR A 108 -17.475 -3.640 -2.413 1.00 0.00 C ATOM 0 H THR A 108 -15.512 -2.937 -0.502 1.00 0.00 H new ATOM 0 HA THR A 108 -18.177 -3.353 0.126 1.00 0.00 H new ATOM 0 HB THR A 108 -17.904 -5.426 -1.326 1.00 0.00 H new ATOM 0 HG1 THR A 108 -15.807 -5.608 -2.358 1.00 0.00 H new ATOM 0 HG21 THR A 108 -17.404 -4.148 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 108 -18.483 -3.247 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 108 -16.759 -2.819 -2.382 1.00 0.00 H new ATOM 474 N SER A 109 -16.274 -5.865 1.175 1.00 0.00 N ATOM 475 CA SER A 109 -16.186 -6.936 2.161 1.00 0.00 C ATOM 476 C SER A 109 -16.317 -6.382 3.577 1.00 0.00 C ATOM 477 O SER A 109 -15.716 -5.363 3.916 1.00 0.00 O ATOM 478 CB SER A 109 -14.860 -7.684 2.015 1.00 0.00 C ATOM 479 OG SER A 109 -14.784 -8.771 2.922 1.00 0.00 O ATOM 0 H SER A 109 -15.502 -5.840 0.509 1.00 0.00 H new ATOM 0 HA SER A 109 -17.008 -7.630 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.756 -8.051 0.994 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.031 -6.999 2.193 1.00 0.00 H new ATOM 0 HG SER A 109 -14.157 -8.552 3.643 1.00 0.00 H new ATOM 485 N LYS A 110 -17.107 -7.063 4.400 1.00 0.00 N ATOM 486 CA LYS A 110 -17.319 -6.642 5.780 1.00 0.00 C ATOM 487 C LYS A 110 -16.130 -7.028 6.655 1.00 0.00 C ATOM 488 O LYS A 110 -15.621 -6.211 7.422 1.00 0.00 O ATOM 489 CB LYS A 110 -18.599 -7.270 6.336 1.00 0.00 C ATOM 490 CG LYS A 110 -18.588 -8.789 6.322 1.00 0.00 C ATOM 491 CD LYS A 110 -19.868 -9.361 6.906 1.00 0.00 C ATOM 492 CE LYS A 110 -19.934 -10.871 6.731 1.00 0.00 C ATOM 493 NZ LYS A 110 -21.318 -11.390 6.914 1.00 0.00 N ATOM 0 H LYS A 110 -17.611 -7.909 4.135 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.420 -5.557 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.748 -6.926 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -19.450 -6.916 5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -18.464 -9.143 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.733 -9.153 6.891 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -19.928 -9.113 7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -20.728 -8.899 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -19.574 -11.138 5.737 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -19.269 -11.349 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -21.321 -12.422 6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -21.652 -11.158 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -21.948 -10.953 6.212 1.00 0.00 H new ATOM 507 N SER A 111 -15.691 -8.277 6.532 1.00 0.00 N ATOM 508 CA SER A 111 -14.564 -8.771 7.313 1.00 0.00 C ATOM 509 C SER A 111 -13.271 -8.700 6.506 1.00 0.00 C ATOM 510 O SER A 111 -13.173 -9.270 5.420 1.00 0.00 O ATOM 511 CB SER A 111 -14.820 -10.211 7.763 1.00 0.00 C ATOM 512 OG SER A 111 -14.949 -11.078 6.649 1.00 0.00 O ATOM 0 H SER A 111 -16.099 -8.965 5.899 1.00 0.00 H new ATOM 0 HA SER A 111 -14.458 -8.137 8.193 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.000 -10.548 8.397 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.727 -10.251 8.366 1.00 0.00 H new ATOM 0 HG SER A 111 -14.442 -10.716 5.893 1.00 0.00 H new ATOM 518 N ASN A 112 -12.281 -7.997 7.046 1.00 0.00 N ATOM 519 CA ASN A 112 -10.994 -7.850 6.376 1.00 0.00 C ATOM 520 C ASN A 112 -9.983 -8.858 6.915 1.00 0.00 C ATOM 521 O ASN A 112 -8.787 -8.762 6.639 1.00 0.00 O ATOM 522 CB ASN A 112 -10.460 -6.428 6.558 1.00 0.00 C ATOM 523 CG ASN A 112 -10.572 -5.947 7.992 1.00 0.00 C ATOM 524 OD1 ASN A 112 -10.112 -6.613 8.919 1.00 0.00 O ATOM 525 ND2 ASN A 112 -11.187 -4.785 8.179 1.00 0.00 N ATOM 0 H ASN A 112 -12.345 -7.520 7.945 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.141 -8.042 5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.416 -6.392 6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.011 -5.750 5.906 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -11.294 -4.410 9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -11.553 -4.267 7.380 1.00 0.00 H new ATOM 532 N LYS A 113 -10.471 -9.824 7.686 1.00 0.00 N ATOM 533 CA LYS A 113 -9.612 -10.851 8.263 1.00 0.00 C ATOM 534 C LYS A 113 -8.805 -11.557 7.179 1.00 0.00 C ATOM 535 O LYS A 113 -7.577 -11.617 7.245 1.00 0.00 O ATOM 536 CB LYS A 113 -10.451 -11.871 9.036 1.00 0.00 C ATOM 537 CG LYS A 113 -11.279 -11.258 10.151 1.00 0.00 C ATOM 538 CD LYS A 113 -10.503 -11.204 11.457 1.00 0.00 C ATOM 539 CE LYS A 113 -11.284 -10.476 12.540 1.00 0.00 C ATOM 540 NZ LYS A 113 -10.688 -10.684 13.889 1.00 0.00 N ATOM 0 H LYS A 113 -11.458 -9.917 7.926 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.918 -10.366 8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.116 -12.383 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.789 -12.627 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.585 -10.251 9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.190 -11.840 10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -10.277 -12.217 11.789 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -9.550 -10.701 11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.310 -9.410 12.315 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.316 -10.826 12.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -11.249 -10.172 14.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.687 -11.699 14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.711 -10.327 13.896 1.00 0.00 H new ATOM 554 N HIS A 114 -9.503 -12.090 6.180 1.00 0.00 N ATOM 555 CA HIS A 114 -8.850 -12.791 5.080 1.00 0.00 C ATOM 556 C HIS A 114 -7.940 -11.847 4.299 1.00 0.00 C ATOM 557 O HIS A 114 -6.788 -12.174 4.011 1.00 0.00 O ATOM 558 CB HIS A 114 -9.894 -13.402 4.145 1.00 0.00 C ATOM 559 CG HIS A 114 -10.851 -12.399 3.579 1.00 0.00 C ATOM 560 ND1 HIS A 114 -12.152 -12.269 4.017 1.00 0.00 N ATOM 561 CD2 HIS A 114 -10.689 -11.473 2.605 1.00 0.00 C ATOM 562 CE1 HIS A 114 -12.750 -11.308 3.336 1.00 0.00 C ATOM 563 NE2 HIS A 114 -11.884 -10.808 2.472 1.00 0.00 N ATOM 0 H HIS A 114 -10.520 -12.050 6.110 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.240 -13.590 5.502 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.384 -13.908 3.325 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.456 -14.162 4.688 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -12.585 -12.828 4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.788 -11.291 2.038 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -13.773 -10.986 3.464 1.00 0.00 H new ATOM 571 N LEU A 115 -8.466 -10.676 3.957 1.00 0.00 N ATOM 572 CA LEU A 115 -7.702 -9.684 3.208 1.00 0.00 C ATOM 573 C LEU A 115 -6.330 -9.463 3.838 1.00 0.00 C ATOM 574 O LEU A 115 -5.310 -9.878 3.288 1.00 0.00 O ATOM 575 CB LEU A 115 -8.467 -8.361 3.147 1.00 0.00 C ATOM 576 CG LEU A 115 -9.574 -8.273 2.097 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.219 -6.896 2.115 1.00 0.00 C ATOM 578 CD2 LEU A 115 -9.024 -8.588 0.714 1.00 0.00 C ATOM 0 H LEU A 115 -9.418 -10.390 4.186 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.560 -10.061 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.907 -8.174 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.752 -7.560 2.960 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.337 -9.012 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.005 -6.852 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.649 -6.709 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.466 -6.139 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.826 -8.520 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.241 -7.873 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.610 -9.596 0.708 1.00 0.00 H new ATOM 590 N TRP A 116 -6.315 -8.810 4.994 1.00 0.00 N ATOM 591 CA TRP A 116 -5.068 -8.536 5.700 1.00 0.00 C ATOM 592 C TRP A 116 -4.145 -9.749 5.666 1.00 0.00 C ATOM 593 O TRP A 116 -2.955 -9.626 5.377 1.00 0.00 O ATOM 594 CB TRP A 116 -5.356 -8.140 7.149 1.00 0.00 C ATOM 595 CG TRP A 116 -5.788 -6.712 7.300 1.00 0.00 C ATOM 596 CD1 TRP A 116 -6.973 -6.265 7.812 1.00 0.00 C ATOM 597 CD2 TRP A 116 -5.041 -5.547 6.934 1.00 0.00 C ATOM 598 NE1 TRP A 116 -7.007 -4.891 7.786 1.00 0.00 N ATOM 599 CE2 TRP A 116 -5.834 -4.427 7.253 1.00 0.00 C ATOM 600 CE3 TRP A 116 -3.779 -5.341 6.370 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.404 -3.123 7.024 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.354 -4.046 6.144 1.00 0.00 C ATOM 603 CH2 TRP A 116 -4.164 -2.950 6.471 1.00 0.00 C ATOM 0 H TRP A 116 -7.151 -8.460 5.462 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.568 -7.709 5.196 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.133 -8.791 7.549 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.461 -8.307 7.748 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -7.766 -6.898 8.182 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -7.781 -4.311 8.111 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.147 -6.179 6.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.027 -2.277 7.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.381 -3.875 5.708 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -3.803 -1.950 6.283 1.00 0.00 H new ATOM 614 N GLU A 117 -4.702 -10.920 5.961 1.00 0.00 N ATOM 615 CA GLU A 117 -3.926 -12.154 5.963 1.00 0.00 C ATOM 616 C GLU A 117 -3.206 -12.347 4.632 1.00 0.00 C ATOM 617 O GLU A 117 -2.053 -12.777 4.596 1.00 0.00 O ATOM 618 CB GLU A 117 -4.836 -13.353 6.241 1.00 0.00 C ATOM 619 CG GLU A 117 -5.239 -13.485 7.700 1.00 0.00 C ATOM 620 CD GLU A 117 -6.179 -14.650 7.942 1.00 0.00 C ATOM 621 OE1 GLU A 117 -7.391 -14.499 7.680 1.00 0.00 O ATOM 622 OE2 GLU A 117 -5.704 -15.713 8.394 1.00 0.00 O ATOM 0 H GLU A 117 -5.686 -11.039 6.201 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.179 -12.082 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.735 -13.265 5.631 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.327 -14.265 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.345 -13.612 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.719 -12.562 8.026 1.00 0.00 H new ATOM 629 N GLN A 118 -3.894 -12.026 3.541 1.00 0.00 N ATOM 630 CA GLN A 118 -3.320 -12.165 2.208 1.00 0.00 C ATOM 631 C GLN A 118 -2.180 -11.174 2.000 1.00 0.00 C ATOM 632 O GLN A 118 -1.124 -11.530 1.476 1.00 0.00 O ATOM 633 CB GLN A 118 -4.396 -11.952 1.142 1.00 0.00 C ATOM 634 CG GLN A 118 -5.401 -13.091 1.056 1.00 0.00 C ATOM 635 CD GLN A 118 -6.378 -12.921 -0.091 1.00 0.00 C ATOM 636 OE1 GLN A 118 -6.519 -13.804 -0.937 1.00 0.00 O ATOM 637 NE2 GLN A 118 -7.060 -11.782 -0.124 1.00 0.00 N ATOM 0 H GLN A 118 -4.849 -11.668 3.554 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.921 -13.175 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.928 -11.025 1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.915 -11.829 0.172 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.867 -14.034 0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.954 -13.154 1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.911 -11.077 0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.733 -11.612 -0.872 1.00 0.00 H new ATOM 646 N ILE A 119 -2.400 -9.931 2.415 1.00 0.00 N ATOM 647 CA ILE A 119 -1.390 -8.890 2.274 1.00 0.00 C ATOM 648 C ILE A 119 -0.144 -9.218 3.091 1.00 0.00 C ATOM 649 O ILE A 119 0.980 -9.098 2.604 1.00 0.00 O ATOM 650 CB ILE A 119 -1.931 -7.517 2.714 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.095 -7.092 1.816 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.823 -6.475 2.683 1.00 0.00 C ATOM 653 CD1 ILE A 119 -3.848 -5.886 2.333 1.00 0.00 C ATOM 0 H ILE A 119 -3.268 -9.621 2.851 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.128 -8.847 1.217 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.297 -7.598 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.713 -6.872 0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.788 -7.927 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.222 -5.510 2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -0.023 -6.774 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.429 -6.393 1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.659 -5.642 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.260 -6.109 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.168 -5.037 2.408 1.00 0.00 H new ATOM 665 N SER A 120 -0.353 -9.634 4.336 1.00 0.00 N ATOM 666 CA SER A 120 0.753 -9.978 5.222 1.00 0.00 C ATOM 667 C SER A 120 1.598 -11.100 4.627 1.00 0.00 C ATOM 668 O SER A 120 2.820 -11.116 4.772 1.00 0.00 O ATOM 669 CB SER A 120 0.223 -10.397 6.595 1.00 0.00 C ATOM 670 OG SER A 120 -0.511 -11.606 6.511 1.00 0.00 O ATOM 0 H SER A 120 -1.277 -9.741 4.754 1.00 0.00 H new ATOM 0 HA SER A 120 1.382 -9.095 5.337 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.056 -10.521 7.287 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.413 -9.609 6.999 1.00 0.00 H new ATOM 0 HG SER A 120 -0.944 -11.665 5.634 1.00 0.00 H new ATOM 676 N SER A 121 0.936 -12.037 3.955 1.00 0.00 N ATOM 677 CA SER A 121 1.625 -13.166 3.339 1.00 0.00 C ATOM 678 C SER A 121 2.371 -12.728 2.083 1.00 0.00 C ATOM 679 O SER A 121 3.494 -13.164 1.829 1.00 0.00 O ATOM 680 CB SER A 121 0.626 -14.272 2.994 1.00 0.00 C ATOM 681 OG SER A 121 -0.395 -13.788 2.139 1.00 0.00 O ATOM 0 H SER A 121 -0.075 -12.037 3.823 1.00 0.00 H new ATOM 0 HA SER A 121 2.351 -13.552 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.147 -15.099 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.183 -14.664 3.909 1.00 0.00 H new ATOM 0 HG SER A 121 -0.356 -12.809 2.104 1.00 0.00 H new ATOM 687 N LYS A 122 1.738 -11.861 1.299 1.00 0.00 N ATOM 688 CA LYS A 122 2.340 -11.361 0.068 1.00 0.00 C ATOM 689 C LYS A 122 3.534 -10.462 0.373 1.00 0.00 C ATOM 690 O LYS A 122 4.519 -10.452 -0.365 1.00 0.00 O ATOM 691 CB LYS A 122 1.304 -10.591 -0.754 1.00 0.00 C ATOM 692 CG LYS A 122 0.179 -11.462 -1.285 1.00 0.00 C ATOM 693 CD LYS A 122 0.537 -12.078 -2.627 1.00 0.00 C ATOM 694 CE LYS A 122 -0.707 -12.473 -3.408 1.00 0.00 C ATOM 695 NZ LYS A 122 -0.483 -12.406 -4.879 1.00 0.00 N ATOM 0 H LYS A 122 0.808 -11.490 1.494 1.00 0.00 H new ATOM 0 HA LYS A 122 2.690 -12.216 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.879 -9.799 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.805 -10.108 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.040 -12.253 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.727 -10.865 -1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 122 1.124 -11.368 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.164 -12.956 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -1.003 -13.485 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -1.531 -11.814 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -1.354 -12.682 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.225 -11.435 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.286 -13.054 -5.143 1.00 0.00 H new ATOM 709 N MET A 123 3.439 -9.710 1.464 1.00 0.00 N ATOM 710 CA MET A 123 4.514 -8.809 1.867 1.00 0.00 C ATOM 711 C MET A 123 5.588 -9.560 2.646 1.00 0.00 C ATOM 712 O MET A 123 6.771 -9.228 2.568 1.00 0.00 O ATOM 713 CB MET A 123 3.957 -7.665 2.716 1.00 0.00 C ATOM 714 CG MET A 123 3.422 -8.114 4.066 1.00 0.00 C ATOM 715 SD MET A 123 4.727 -8.336 5.291 1.00 0.00 S ATOM 716 CE MET A 123 5.424 -6.688 5.346 1.00 0.00 C ATOM 0 H MET A 123 2.630 -9.706 2.085 1.00 0.00 H new ATOM 0 HA MET A 123 4.966 -8.396 0.965 1.00 0.00 H new ATOM 0 HB2 MET A 123 4.742 -6.925 2.873 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.158 -7.170 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.707 -7.378 4.432 1.00 0.00 H new ATOM 0 HG3 MET A 123 2.880 -9.052 3.944 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.369 -6.674 4.803 1.00 0.00 H new ATOM 0 HE2 MET A 123 4.730 -5.984 4.886 1.00 0.00 H new ATOM 0 HE3 MET A 123 5.598 -6.401 6.383 1.00 0.00 H new ATOM 726 N ARG A 124 5.170 -10.573 3.398 1.00 0.00 N ATOM 727 CA ARG A 124 6.097 -11.369 4.193 1.00 0.00 C ATOM 728 C ARG A 124 6.867 -12.348 3.311 1.00 0.00 C ATOM 729 O ARG A 124 8.065 -12.557 3.500 1.00 0.00 O ATOM 730 CB ARG A 124 5.342 -12.133 5.282 1.00 0.00 C ATOM 731 CG ARG A 124 6.224 -13.070 6.091 1.00 0.00 C ATOM 732 CD ARG A 124 5.395 -14.028 6.933 1.00 0.00 C ATOM 733 NE ARG A 124 5.085 -15.260 6.214 1.00 0.00 N ATOM 734 CZ ARG A 124 4.543 -16.329 6.787 1.00 0.00 C ATOM 735 NH1 ARG A 124 4.253 -16.316 8.080 1.00 0.00 N ATOM 736 NH2 ARG A 124 4.291 -17.414 6.065 1.00 0.00 N ATOM 0 H ARG A 124 4.195 -10.862 3.473 1.00 0.00 H new ATOM 0 HA ARG A 124 6.810 -10.691 4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.872 -11.417 5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.541 -12.710 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 124 6.866 -13.638 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.878 -12.487 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.937 -14.269 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 124 4.468 -13.539 7.231 1.00 0.00 H new ATOM 0 HE ARG A 124 5.296 -15.302 5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.446 -15.484 8.638 1.00 0.00 H new ATOM 0 HH12 ARG A 124 3.837 -17.138 8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 124 4.514 -17.427 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.875 -18.234 6.506 1.00 0.00 H new ATOM 750 N GLU A 125 6.170 -12.944 2.348 1.00 0.00 N ATOM 751 CA GLU A 125 6.789 -13.901 1.439 1.00 0.00 C ATOM 752 C GLU A 125 8.025 -13.300 0.775 1.00 0.00 C ATOM 753 O GLU A 125 8.889 -14.021 0.276 1.00 0.00 O ATOM 754 CB GLU A 125 5.788 -14.344 0.371 1.00 0.00 C ATOM 755 CG GLU A 125 5.486 -13.273 -0.663 1.00 0.00 C ATOM 756 CD GLU A 125 5.115 -13.853 -2.014 1.00 0.00 C ATOM 757 OE1 GLU A 125 6.025 -14.318 -2.731 1.00 0.00 O ATOM 758 OE2 GLU A 125 3.913 -13.843 -2.353 1.00 0.00 O ATOM 0 H GLU A 125 5.178 -12.781 2.178 1.00 0.00 H new ATOM 0 HA GLU A 125 7.097 -14.770 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.178 -15.227 -0.136 1.00 0.00 H new ATOM 0 HB3 GLU A 125 4.858 -14.640 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 125 4.669 -12.647 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.357 -12.627 -0.776 1.00 0.00 H new ATOM 765 N LYS A 126 8.101 -11.973 0.771 1.00 0.00 N ATOM 766 CA LYS A 126 9.229 -11.272 0.170 1.00 0.00 C ATOM 767 C LYS A 126 10.519 -11.565 0.930 1.00 0.00 C ATOM 768 O LYS A 126 11.590 -11.674 0.335 1.00 0.00 O ATOM 769 CB LYS A 126 8.968 -9.765 0.149 1.00 0.00 C ATOM 770 CG LYS A 126 7.601 -9.392 -0.399 1.00 0.00 C ATOM 771 CD LYS A 126 7.627 -9.244 -1.911 1.00 0.00 C ATOM 772 CE LYS A 126 8.101 -7.860 -2.327 1.00 0.00 C ATOM 773 NZ LYS A 126 7.140 -6.798 -1.918 1.00 0.00 N ATOM 0 H LYS A 126 7.394 -11.361 1.178 1.00 0.00 H new ATOM 0 HA LYS A 126 9.342 -11.629 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 126 9.063 -9.374 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.736 -9.280 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.875 -10.156 -0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.270 -8.457 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.285 -9.999 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.630 -9.424 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 126 9.075 -7.660 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 126 8.235 -7.832 -3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.613 -6.467 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.474 -7.183 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.661 -6.001 -1.499 1.00 0.00 H new ATOM 787 N GLY A 127 10.408 -11.692 2.248 1.00 0.00 N ATOM 788 CA GLY A 127 11.573 -11.973 3.068 1.00 0.00 C ATOM 789 C GLY A 127 11.635 -11.099 4.305 1.00 0.00 C ATOM 790 O GLY A 127 12.717 -10.713 4.747 1.00 0.00 O ATOM 0 H GLY A 127 9.532 -11.605 2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.559 -13.021 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.475 -11.823 2.475 1.00 0.00 H new ATOM 794 N PHE A 128 10.472 -10.784 4.864 1.00 0.00 N ATOM 795 CA PHE A 128 10.398 -9.948 6.057 1.00 0.00 C ATOM 796 C PHE A 128 9.556 -10.617 7.139 1.00 0.00 C ATOM 797 O PHE A 128 8.343 -10.767 6.992 1.00 0.00 O ATOM 798 CB PHE A 128 9.810 -8.579 5.710 1.00 0.00 C ATOM 799 CG PHE A 128 10.527 -7.885 4.587 1.00 0.00 C ATOM 800 CD1 PHE A 128 10.135 -8.080 3.273 1.00 0.00 C ATOM 801 CD2 PHE A 128 11.594 -7.040 4.847 1.00 0.00 C ATOM 802 CE1 PHE A 128 10.793 -7.443 2.237 1.00 0.00 C ATOM 803 CE2 PHE A 128 12.255 -6.400 3.815 1.00 0.00 C ATOM 804 CZ PHE A 128 11.855 -6.602 2.509 1.00 0.00 C ATOM 0 H PHE A 128 9.567 -11.095 4.510 1.00 0.00 H new ATOM 0 HA PHE A 128 11.410 -9.815 6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 128 8.761 -8.701 5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 128 9.839 -7.945 6.596 1.00 0.00 H new ATOM 0 HD1 PHE A 128 9.306 -8.737 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 128 11.913 -6.880 5.866 1.00 0.00 H new ATOM 0 HE1 PHE A 128 10.477 -7.603 1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 128 13.084 -5.742 4.030 1.00 0.00 H new ATOM 0 HZ PHE A 128 12.371 -6.104 1.702 1.00 0.00 H new ATOM 814 N ASP A 129 10.208 -11.017 8.225 1.00 0.00 N ATOM 815 CA ASP A 129 9.520 -11.669 9.333 1.00 0.00 C ATOM 816 C ASP A 129 8.739 -10.654 10.161 1.00 0.00 C ATOM 817 O ASP A 129 9.284 -10.029 11.071 1.00 0.00 O ATOM 818 CB ASP A 129 10.523 -12.406 10.222 1.00 0.00 C ATOM 819 CG ASP A 129 9.851 -13.167 11.347 1.00 0.00 C ATOM 820 OD1 ASP A 129 9.274 -14.241 11.075 1.00 0.00 O ATOM 821 OD2 ASP A 129 9.900 -12.689 12.500 1.00 0.00 O ATOM 0 H ASP A 129 11.212 -10.901 8.362 1.00 0.00 H new ATOM 0 HA ASP A 129 8.817 -12.390 8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.102 -13.100 9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.227 -11.688 10.643 1.00 0.00 H new ATOM 826 N ARG A 130 7.459 -10.494 9.839 1.00 0.00 N ATOM 827 CA ARG A 130 6.604 -9.552 10.552 1.00 0.00 C ATOM 828 C ARG A 130 5.237 -10.167 10.835 1.00 0.00 C ATOM 829 O ARG A 130 4.851 -11.159 10.216 1.00 0.00 O ATOM 830 CB ARG A 130 6.438 -8.266 9.740 1.00 0.00 C ATOM 831 CG ARG A 130 7.511 -7.226 10.021 1.00 0.00 C ATOM 832 CD ARG A 130 7.210 -6.446 11.291 1.00 0.00 C ATOM 833 NE ARG A 130 8.206 -5.408 11.544 1.00 0.00 N ATOM 834 CZ ARG A 130 8.223 -4.657 12.640 1.00 0.00 C ATOM 835 NH1 ARG A 130 7.304 -4.829 13.580 1.00 0.00 N ATOM 836 NH2 ARG A 130 9.162 -3.733 12.798 1.00 0.00 N ATOM 0 H ARG A 130 6.992 -11.004 9.090 1.00 0.00 H new ATOM 0 HA ARG A 130 7.081 -9.314 11.503 1.00 0.00 H new ATOM 0 HB2 ARG A 130 6.452 -8.512 8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.460 -7.834 9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 130 8.480 -7.717 10.115 1.00 0.00 H new ATOM 0 HG3 ARG A 130 7.583 -6.538 9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 130 6.223 -5.990 11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 130 7.177 -7.131 12.138 1.00 0.00 H new ATOM 0 HE ARG A 130 8.928 -5.251 10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 130 6.581 -5.539 13.463 1.00 0.00 H new ATOM 0 HH12 ARG A 130 7.320 -4.251 14.420 1.00 0.00 H new ATOM 0 HH21 ARG A 130 9.872 -3.599 12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 130 9.174 -3.157 13.640 1.00 0.00 H new ATOM 850 N SER A 131 4.509 -9.572 11.774 1.00 0.00 N ATOM 851 CA SER A 131 3.186 -10.063 12.143 1.00 0.00 C ATOM 852 C SER A 131 2.094 -9.262 11.441 1.00 0.00 C ATOM 853 O SER A 131 2.310 -8.142 10.979 1.00 0.00 O ATOM 854 CB SER A 131 2.995 -9.988 13.659 1.00 0.00 C ATOM 855 OG SER A 131 3.430 -11.182 14.287 1.00 0.00 O ATOM 0 H SER A 131 4.813 -8.749 12.294 1.00 0.00 H new ATOM 0 HA SER A 131 3.110 -11.103 11.826 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.552 -9.140 14.057 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.944 -9.815 13.888 1.00 0.00 H new ATOM 0 HG SER A 131 3.299 -11.109 15.255 1.00 0.00 H new ATOM 861 N PRO A 132 0.891 -9.850 11.358 1.00 0.00 N ATOM 862 CA PRO A 132 -0.260 -9.210 10.714 1.00 0.00 C ATOM 863 C PRO A 132 -0.786 -8.024 11.515 1.00 0.00 C ATOM 864 O PRO A 132 -1.209 -7.017 10.946 1.00 0.00 O ATOM 865 CB PRO A 132 -1.305 -10.328 10.664 1.00 0.00 C ATOM 866 CG PRO A 132 -0.937 -11.241 11.782 1.00 0.00 C ATOM 867 CD PRO A 132 0.562 -11.185 11.886 1.00 0.00 C ATOM 0 HA PRO A 132 -0.006 -8.802 9.736 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -2.313 -9.933 10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -1.284 -10.847 9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -1.405 -10.925 12.714 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -1.277 -12.258 11.584 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.898 -11.304 12.916 1.00 0.00 H new ATOM 0 HD3 PRO A 132 1.035 -11.975 11.303 1.00 0.00 H new ATOM 875 N ASP A 133 -0.757 -8.149 12.837 1.00 0.00 N ATOM 876 CA ASP A 133 -1.230 -7.086 13.717 1.00 0.00 C ATOM 877 C ASP A 133 -0.488 -5.782 13.440 1.00 0.00 C ATOM 878 O ASP A 133 -1.010 -4.695 13.686 1.00 0.00 O ATOM 879 CB ASP A 133 -1.050 -7.489 15.181 1.00 0.00 C ATOM 880 CG ASP A 133 -1.421 -8.937 15.433 1.00 0.00 C ATOM 881 OD1 ASP A 133 -2.502 -9.360 14.974 1.00 0.00 O ATOM 882 OD2 ASP A 133 -0.631 -9.646 16.091 1.00 0.00 O ATOM 0 H ASP A 133 -0.411 -8.976 13.323 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.290 -6.929 13.520 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.013 -7.326 15.475 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.664 -6.845 15.810 1.00 0.00 H new ATOM 887 N MET A 134 0.732 -5.899 12.927 1.00 0.00 N ATOM 888 CA MET A 134 1.545 -4.728 12.616 1.00 0.00 C ATOM 889 C MET A 134 1.047 -4.041 11.349 1.00 0.00 C ATOM 890 O MET A 134 0.877 -2.821 11.319 1.00 0.00 O ATOM 891 CB MET A 134 3.012 -5.130 12.449 1.00 0.00 C ATOM 892 CG MET A 134 3.535 -6.004 13.578 1.00 0.00 C ATOM 893 SD MET A 134 3.972 -5.053 15.047 1.00 0.00 S ATOM 894 CE MET A 134 2.349 -4.577 15.637 1.00 0.00 C ATOM 0 H MET A 134 1.180 -6.791 12.718 1.00 0.00 H new ATOM 0 HA MET A 134 1.460 -4.026 13.446 1.00 0.00 H new ATOM 0 HB2 MET A 134 3.129 -5.662 11.505 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.622 -4.229 12.385 1.00 0.00 H new ATOM 0 HG2 MET A 134 2.778 -6.743 13.840 1.00 0.00 H new ATOM 0 HG3 MET A 134 4.411 -6.553 13.232 1.00 0.00 H new ATOM 0 HE1 MET A 134 2.353 -4.545 16.727 1.00 0.00 H new ATOM 0 HE2 MET A 134 2.094 -3.592 15.246 1.00 0.00 H new ATOM 0 HE3 MET A 134 1.611 -5.304 15.298 1.00 0.00 H new ATOM 904 N CYS A 135 0.815 -4.829 10.306 1.00 0.00 N ATOM 905 CA CYS A 135 0.337 -4.296 9.035 1.00 0.00 C ATOM 906 C CYS A 135 -0.929 -3.469 9.235 1.00 0.00 C ATOM 907 O CYS A 135 -1.067 -2.379 8.677 1.00 0.00 O ATOM 908 CB CYS A 135 0.068 -5.433 8.049 1.00 0.00 C ATOM 909 SG CYS A 135 1.512 -6.462 7.696 1.00 0.00 S ATOM 0 H CYS A 135 0.950 -5.840 10.315 1.00 0.00 H new ATOM 0 HA CYS A 135 1.112 -3.648 8.626 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.726 -6.065 8.447 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -0.300 -5.010 7.114 1.00 0.00 H new ATOM 0 HG CYS A 135 1.184 -7.397 6.854 1.00 0.00 H new ATOM 915 N THR A 136 -1.854 -3.995 10.032 1.00 0.00 N ATOM 916 CA THR A 136 -3.110 -3.307 10.303 1.00 0.00 C ATOM 917 C THR A 136 -2.871 -1.998 11.046 1.00 0.00 C ATOM 918 O THR A 136 -3.308 -0.934 10.606 1.00 0.00 O ATOM 919 CB THR A 136 -4.064 -4.187 11.132 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.188 -5.479 10.527 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.437 -3.540 11.244 1.00 0.00 C ATOM 0 H THR A 136 -1.757 -4.895 10.501 1.00 0.00 H new ATOM 0 HA THR A 136 -3.569 -3.095 9.337 1.00 0.00 H new ATOM 0 HB THR A 136 -3.647 -4.293 12.133 1.00 0.00 H new ATOM 0 HG1 THR A 136 -4.432 -5.376 9.583 1.00 0.00 H new ATOM 0 HG21 THR A 136 -6.094 -4.180 11.834 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.343 -2.569 11.731 1.00 0.00 H new ATOM 0 HG23 THR A 136 -5.859 -3.407 10.248 1.00 0.00 H new ATOM 929 N ASP A 137 -2.174 -2.081 12.174 1.00 0.00 N ATOM 930 CA ASP A 137 -1.875 -0.902 12.978 1.00 0.00 C ATOM 931 C ASP A 137 -1.135 0.145 12.151 1.00 0.00 C ATOM 932 O ASP A 137 -1.603 1.273 11.994 1.00 0.00 O ATOM 933 CB ASP A 137 -1.040 -1.289 14.199 1.00 0.00 C ATOM 934 CG ASP A 137 -0.769 -0.109 15.112 1.00 0.00 C ATOM 935 OD1 ASP A 137 -1.743 0.471 15.637 1.00 0.00 O ATOM 936 OD2 ASP A 137 0.417 0.233 15.304 1.00 0.00 O ATOM 0 H ASP A 137 -1.805 -2.953 12.552 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.819 -0.473 13.315 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.559 -2.067 14.759 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -0.092 -1.714 13.868 1.00 0.00 H new ATOM 941 N LYS A 138 0.024 -0.235 11.624 1.00 0.00 N ATOM 942 CA LYS A 138 0.830 0.670 10.813 1.00 0.00 C ATOM 943 C LYS A 138 -0.043 1.445 9.832 1.00 0.00 C ATOM 944 O LYS A 138 -0.023 2.675 9.807 1.00 0.00 O ATOM 945 CB LYS A 138 1.902 -0.113 10.051 1.00 0.00 C ATOM 946 CG LYS A 138 2.936 0.771 9.376 1.00 0.00 C ATOM 947 CD LYS A 138 4.096 1.083 10.307 1.00 0.00 C ATOM 948 CE LYS A 138 4.909 2.267 9.807 1.00 0.00 C ATOM 949 NZ LYS A 138 5.532 3.025 10.927 1.00 0.00 N ATOM 0 H LYS A 138 0.427 -1.164 11.744 1.00 0.00 H new ATOM 0 HA LYS A 138 1.315 1.382 11.481 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.408 -0.787 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.419 -0.734 9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.310 0.276 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 138 2.467 1.701 9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.715 1.298 11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.740 0.208 10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.687 1.913 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.265 2.933 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.077 3.824 10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.788 3.384 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.166 2.397 11.461 1.00 0.00 H new ATOM 963 N TRP A 139 -0.808 0.717 9.026 1.00 0.00 N ATOM 964 CA TRP A 139 -1.689 1.337 8.043 1.00 0.00 C ATOM 965 C TRP A 139 -2.586 2.382 8.699 1.00 0.00 C ATOM 966 O TRP A 139 -2.626 3.535 8.270 1.00 0.00 O ATOM 967 CB TRP A 139 -2.545 0.274 7.353 1.00 0.00 C ATOM 968 CG TRP A 139 -3.551 0.847 6.401 1.00 0.00 C ATOM 969 CD1 TRP A 139 -4.903 0.922 6.585 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.286 1.424 5.118 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.493 1.510 5.492 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.523 1.828 4.579 1.00 0.00 C ATOM 973 CE3 TRP A 139 -2.124 1.640 4.372 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -4.628 2.434 3.330 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -2.230 2.241 3.133 1.00 0.00 C ATOM 976 CH2 TRP A 139 -3.474 2.633 2.622 1.00 0.00 C ATOM 0 H TRP A 139 -0.836 -0.303 9.034 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.068 1.834 7.297 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -1.893 -0.412 6.812 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.065 -0.312 8.111 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.430 0.571 7.460 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.492 1.682 5.379 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -1.160 1.342 4.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -5.586 2.736 2.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -1.338 2.412 2.548 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -3.523 3.101 1.650 1.00 0.00 H new ATOM 987 N ARG A 140 -3.302 1.971 9.740 1.00 0.00 N ATOM 988 CA ARG A 140 -4.199 2.873 10.453 1.00 0.00 C ATOM 989 C ARG A 140 -3.490 4.177 10.806 1.00 0.00 C ATOM 990 O ARG A 140 -3.947 5.261 10.444 1.00 0.00 O ATOM 991 CB ARG A 140 -4.722 2.204 11.726 1.00 0.00 C ATOM 992 CG ARG A 140 -5.756 1.121 11.463 1.00 0.00 C ATOM 993 CD ARG A 140 -7.167 1.689 11.448 1.00 0.00 C ATOM 994 NE ARG A 140 -7.523 2.234 10.141 1.00 0.00 N ATOM 995 CZ ARG A 140 -8.717 2.743 9.858 1.00 0.00 C ATOM 996 NH1 ARG A 140 -9.664 2.777 10.785 1.00 0.00 N ATOM 997 NH2 ARG A 140 -8.966 3.219 8.644 1.00 0.00 N ATOM 0 H ARG A 140 -3.279 1.020 10.108 1.00 0.00 H new ATOM 0 HA ARG A 140 -5.040 3.102 9.799 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -3.883 1.769 12.269 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -5.161 2.964 12.372 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -5.546 0.640 10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.681 0.351 12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -7.876 0.907 11.720 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.251 2.471 12.202 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.817 2.223 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -9.477 2.412 11.719 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -10.580 3.169 10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -8.240 3.194 7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -9.883 3.610 8.428 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.373 4.064 11.516 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.602 5.235 11.919 1.00 0.00 C ATOM 1013 C ASN A 141 -1.176 6.051 10.703 1.00 0.00 C ATOM 1014 O ASN A 141 -1.259 7.280 10.705 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.369 4.809 12.719 1.00 0.00 C ATOM 1016 CG ASN A 141 0.381 5.992 13.301 1.00 0.00 C ATOM 1017 OD1 ASN A 141 0.376 7.084 12.732 1.00 0.00 O ATOM 1018 ND2 ASN A 141 1.029 5.779 14.440 1.00 0.00 N ATOM 0 H ASN A 141 -1.981 3.174 11.824 1.00 0.00 H new ATOM 0 HA ASN A 141 -2.237 5.859 12.548 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.675 4.144 13.526 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.300 4.240 12.074 1.00 0.00 H new ATOM 0 HD21 ASN A 141 1.551 6.537 14.879 1.00 0.00 H new ATOM 0 HD22 ASN A 141 1.005 4.857 14.876 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.719 5.360 9.664 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.280 6.019 8.439 1.00 0.00 C ATOM 1027 C LEU A 142 -1.391 6.890 7.862 1.00 0.00 C ATOM 1028 O LEU A 142 -1.128 7.911 7.224 1.00 0.00 O ATOM 1029 CB LEU A 142 0.159 4.980 7.406 1.00 0.00 C ATOM 1030 CG LEU A 142 1.538 4.357 7.624 1.00 0.00 C ATOM 1031 CD1 LEU A 142 1.744 3.176 6.690 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.631 5.397 7.422 1.00 0.00 C ATOM 0 H LEU A 142 -0.643 4.343 9.646 1.00 0.00 H new ATOM 0 HA LEU A 142 0.568 6.659 8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -0.580 4.179 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.145 5.448 6.422 1.00 0.00 H new ATOM 0 HG LEU A 142 1.594 3.995 8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 142 2.731 2.746 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 142 0.981 2.422 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.668 3.512 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.606 4.936 7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.577 5.789 6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.494 6.211 8.133 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.635 6.482 8.090 1.00 0.00 N ATOM 1045 CA LEU A 143 -3.788 7.226 7.594 1.00 0.00 C ATOM 1046 C LEU A 143 -3.974 8.524 8.374 1.00 0.00 C ATOM 1047 O LEU A 143 -3.928 9.615 7.805 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.052 6.371 7.694 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.098 5.133 6.798 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.207 4.192 7.244 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.289 5.534 5.343 1.00 0.00 C ATOM 0 H LEU A 143 -2.871 5.640 8.615 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.607 7.475 6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.168 6.050 8.729 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -5.911 6.999 7.456 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.147 4.608 6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.225 3.317 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.026 3.878 8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.166 4.706 7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.319 4.640 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.225 6.082 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.460 6.167 5.028 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.184 8.398 9.680 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.374 9.560 10.540 1.00 0.00 C ATOM 1065 C LYS A 144 -3.312 10.620 10.265 1.00 0.00 C ATOM 1066 O LYS A 144 -3.554 11.814 10.442 1.00 0.00 O ATOM 1067 CB LYS A 144 -4.326 9.144 12.012 1.00 0.00 C ATOM 1068 CG LYS A 144 -2.926 8.828 12.509 1.00 0.00 C ATOM 1069 CD LYS A 144 -2.790 9.092 13.999 1.00 0.00 C ATOM 1070 CE LYS A 144 -2.450 10.548 14.278 1.00 0.00 C ATOM 1071 NZ LYS A 144 -3.672 11.379 14.458 1.00 0.00 N ATOM 0 H LYS A 144 -4.227 7.502 10.166 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.353 9.987 10.321 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -4.747 9.944 12.621 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.959 8.268 12.154 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.692 7.784 12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.201 9.432 11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -3.721 8.832 14.502 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -2.013 8.450 14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -1.833 10.611 15.174 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -1.858 10.947 13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -3.501 12.092 15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -3.903 11.855 13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -4.467 10.771 14.741 1.00 0.00 H new ATOM 1085 N GLU A 145 -2.137 10.176 9.831 1.00 0.00 N ATOM 1086 CA GLU A 145 -1.039 11.088 9.532 1.00 0.00 C ATOM 1087 C GLU A 145 -1.084 11.532 8.073 1.00 0.00 C ATOM 1088 O GLU A 145 -0.889 12.708 7.764 1.00 0.00 O ATOM 1089 CB GLU A 145 0.304 10.420 9.832 1.00 0.00 C ATOM 1090 CG GLU A 145 0.591 9.209 8.961 1.00 0.00 C ATOM 1091 CD GLU A 145 1.942 8.586 9.253 1.00 0.00 C ATOM 1092 OE1 GLU A 145 2.075 7.924 10.304 1.00 0.00 O ATOM 1093 OE2 GLU A 145 2.866 8.760 8.432 1.00 0.00 O ATOM 0 H GLU A 145 -1.921 9.191 9.679 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.148 11.968 10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.101 11.151 9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.323 10.117 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.189 8.463 9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.550 9.503 7.912 1.00 0.00 H new ATOM 1100 N PHE A 146 -1.341 10.583 7.179 1.00 0.00 N ATOM 1101 CA PHE A 146 -1.410 10.875 5.752 1.00 0.00 C ATOM 1102 C PHE A 146 -2.299 12.086 5.487 1.00 0.00 C ATOM 1103 O PHE A 146 -1.906 13.018 4.785 1.00 0.00 O ATOM 1104 CB PHE A 146 -1.941 9.661 4.986 1.00 0.00 C ATOM 1105 CG PHE A 146 -0.862 8.720 4.532 1.00 0.00 C ATOM 1106 CD1 PHE A 146 0.284 9.202 3.920 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -0.995 7.353 4.716 1.00 0.00 C ATOM 1108 CE1 PHE A 146 1.278 8.339 3.501 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.003 6.485 4.299 1.00 0.00 C ATOM 1110 CZ PHE A 146 1.134 6.978 3.690 1.00 0.00 C ATOM 0 H PHE A 146 -1.505 9.605 7.418 1.00 0.00 H new ATOM 0 HA PHE A 146 -0.402 11.103 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -2.641 9.119 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -2.500 10.006 4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 146 0.401 10.265 3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.883 6.962 5.190 1.00 0.00 H new ATOM 0 HE1 PHE A 146 2.167 8.728 3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.117 5.422 4.450 1.00 0.00 H new ATOM 0 HZ PHE A 146 1.909 6.301 3.362 1.00 0.00 H new