USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 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 135 CYS SG : rot -12:sc= 0.27 USER MOD Set 1.2: A 136 THR OG1 : rot 77:sc= 1.15 USER MOD Set 2.1: A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 122 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00697) USER MOD Set 3.1: A 107 ASN : amide:sc= -0.0324 K(o=-0.042,f=0.91) USER MOD Set 3.2: A 108 THR OG1 : rot 180:sc=-0.00995 USER MOD Single : A 89 GLN : amide:sc= -0.0474 K(o=-0.047,f=-1.4) USER MOD Single : A 92 THR OG1 : rot 81:sc= 0.0905 USER MOD Single : A 94 SER OG : rot -27:sc= 0.441 USER MOD Single : A 97 MET CE :methyl 165:sc= -1.01 (180deg=-1.63!) USER MOD Single : A 102 MET CE :methyl -143:sc= -0.0103 (180deg=-1.12) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.83) USER MOD Single : A 113 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.107) USER MOD Single : A 114 HIS : no HD1:sc= -2.93! K(o=-2.9!,f=-0.4) USER MOD Single : A 120 SER OG : rot -88:sc= -0.073 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 123 MET CE :methyl 151:sc= -0.345 (180deg=-1.93!) 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 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.1) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 87 9.906 -0.866 10.618 1.00 0.00 N ATOM 109 CA TRP A 87 9.411 -0.882 9.246 1.00 0.00 C ATOM 110 C TRP A 87 10.326 -0.079 8.328 1.00 0.00 C ATOM 111 O TRP A 87 10.372 1.149 8.401 1.00 0.00 O ATOM 112 CB TRP A 87 7.989 -0.320 9.189 1.00 0.00 C ATOM 113 CG TRP A 87 6.954 -1.271 9.709 1.00 0.00 C ATOM 114 CD1 TRP A 87 6.797 -1.685 11.001 1.00 0.00 C ATOM 115 CD2 TRP A 87 5.933 -1.926 8.949 1.00 0.00 C ATOM 116 NE1 TRP A 87 5.740 -2.558 11.089 1.00 0.00 N ATOM 117 CE2 TRP A 87 5.193 -2.722 9.844 1.00 0.00 C ATOM 118 CE3 TRP A 87 5.571 -1.916 7.599 1.00 0.00 C ATOM 119 CZ2 TRP A 87 4.114 -3.500 9.432 1.00 0.00 C ATOM 120 CZ3 TRP A 87 4.501 -2.689 7.191 1.00 0.00 C ATOM 121 CH2 TRP A 87 3.782 -3.472 8.104 1.00 0.00 C ATOM 0 HA TRP A 87 9.399 -1.916 8.902 1.00 0.00 H new ATOM 0 HB2 TRP A 87 7.947 0.603 9.767 1.00 0.00 H new ATOM 0 HB3 TRP A 87 7.749 -0.061 8.158 1.00 0.00 H new ATOM 0 HD1 TRP A 87 7.413 -1.372 11.831 1.00 0.00 H new ATOM 0 HE1 TRP A 87 5.415 -3.011 11.943 1.00 0.00 H new ATOM 0 HE3 TRP A 87 6.118 -1.315 6.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 3.559 -4.104 10.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 4.214 -2.690 6.150 1.00 0.00 H new ATOM 0 HH2 TRP A 87 2.950 -4.065 7.753 1.00 0.00 H new ATOM 132 N VAL A 88 11.052 -0.780 7.463 1.00 0.00 N ATOM 133 CA VAL A 88 11.965 -0.132 6.529 1.00 0.00 C ATOM 134 C VAL A 88 11.211 0.450 5.338 1.00 0.00 C ATOM 135 O VAL A 88 10.112 0.003 5.010 1.00 0.00 O ATOM 136 CB VAL A 88 13.034 -1.115 6.015 1.00 0.00 C ATOM 137 CG1 VAL A 88 14.082 -1.372 7.087 1.00 0.00 C ATOM 138 CG2 VAL A 88 12.388 -2.417 5.566 1.00 0.00 C ATOM 0 H VAL A 88 11.026 -1.797 7.390 1.00 0.00 H new ATOM 0 HA VAL A 88 12.456 0.674 7.074 1.00 0.00 H new ATOM 0 HB VAL A 88 13.531 -0.667 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.829 -2.069 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.565 -0.433 7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.604 -1.799 7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.158 -3.100 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.864 -2.872 6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.679 -2.214 4.763 1.00 0.00 H new ATOM 148 N GLN A 89 11.810 1.447 4.696 1.00 0.00 N ATOM 149 CA GLN A 89 11.194 2.090 3.541 1.00 0.00 C ATOM 150 C GLN A 89 10.544 1.058 2.626 1.00 0.00 C ATOM 151 O GLN A 89 9.419 1.245 2.164 1.00 0.00 O ATOM 152 CB GLN A 89 12.237 2.895 2.763 1.00 0.00 C ATOM 153 CG GLN A 89 11.632 3.901 1.797 1.00 0.00 C ATOM 154 CD GLN A 89 11.036 5.103 2.504 1.00 0.00 C ATOM 155 OE1 GLN A 89 11.314 5.348 3.678 1.00 0.00 O ATOM 156 NE2 GLN A 89 10.210 5.860 1.791 1.00 0.00 N ATOM 0 H GLN A 89 12.720 1.827 4.955 1.00 0.00 H new ATOM 0 HA GLN A 89 10.419 2.766 3.903 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.878 3.422 3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.874 2.207 2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.400 4.238 1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.858 3.411 1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.008 5.620 0.821 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.778 6.682 2.214 1.00 0.00 H new ATOM 165 N ASP A 90 11.260 -0.031 2.368 1.00 0.00 N ATOM 166 CA ASP A 90 10.753 -1.094 1.508 1.00 0.00 C ATOM 167 C ASP A 90 9.442 -1.653 2.051 1.00 0.00 C ATOM 168 O ASP A 90 8.394 -1.527 1.419 1.00 0.00 O ATOM 169 CB ASP A 90 11.786 -2.214 1.382 1.00 0.00 C ATOM 170 CG ASP A 90 13.204 -1.686 1.288 1.00 0.00 C ATOM 171 OD1 ASP A 90 13.634 -1.335 0.170 1.00 0.00 O ATOM 172 OD2 ASP A 90 13.884 -1.623 2.334 1.00 0.00 O ATOM 0 H ASP A 90 12.194 -0.201 2.742 1.00 0.00 H new ATOM 0 HA ASP A 90 10.566 -0.671 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.705 -2.878 2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.564 -2.811 0.497 1.00 0.00 H new ATOM 177 N GLU A 91 9.509 -2.270 3.227 1.00 0.00 N ATOM 178 CA GLU A 91 8.327 -2.850 3.853 1.00 0.00 C ATOM 179 C GLU A 91 7.137 -1.900 3.753 1.00 0.00 C ATOM 180 O GLU A 91 6.027 -2.310 3.412 1.00 0.00 O ATOM 181 CB GLU A 91 8.610 -3.178 5.321 1.00 0.00 C ATOM 182 CG GLU A 91 9.382 -4.472 5.517 1.00 0.00 C ATOM 183 CD GLU A 91 10.433 -4.693 4.447 1.00 0.00 C ATOM 184 OE1 GLU A 91 10.067 -4.730 3.254 1.00 0.00 O ATOM 185 OE2 GLU A 91 11.622 -4.827 4.803 1.00 0.00 O ATOM 0 H GLU A 91 10.369 -2.381 3.765 1.00 0.00 H new ATOM 0 HA GLU A 91 8.081 -3.770 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.173 -2.358 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.664 -3.244 5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.862 -4.459 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.685 -5.310 5.515 1.00 0.00 H new ATOM 192 N THR A 92 7.376 -0.627 4.054 1.00 0.00 N ATOM 193 CA THR A 92 6.326 0.381 4.000 1.00 0.00 C ATOM 194 C THR A 92 5.792 0.544 2.581 1.00 0.00 C ATOM 195 O THR A 92 4.660 0.160 2.286 1.00 0.00 O ATOM 196 CB THR A 92 6.831 1.746 4.506 1.00 0.00 C ATOM 197 OG1 THR A 92 8.237 1.868 4.266 1.00 0.00 O ATOM 198 CG2 THR A 92 6.549 1.910 5.992 1.00 0.00 C ATOM 0 H THR A 92 8.289 -0.270 4.338 1.00 0.00 H new ATOM 0 HA THR A 92 5.522 0.035 4.650 1.00 0.00 H new ATOM 0 HB THR A 92 6.301 2.529 3.963 1.00 0.00 H new ATOM 0 HG1 THR A 92 8.388 2.135 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.914 2.881 6.327 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.475 1.846 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.055 1.121 6.548 1.00 0.00 H new ATOM 206 N ARG A 93 6.614 1.115 1.707 1.00 0.00 N ATOM 207 CA ARG A 93 6.223 1.329 0.318 1.00 0.00 C ATOM 208 C ARG A 93 5.482 0.113 -0.231 1.00 0.00 C ATOM 209 O ARG A 93 4.441 0.248 -0.874 1.00 0.00 O ATOM 210 CB ARG A 93 7.455 1.620 -0.541 1.00 0.00 C ATOM 211 CG ARG A 93 7.168 2.522 -1.730 1.00 0.00 C ATOM 212 CD ARG A 93 8.405 3.300 -2.150 1.00 0.00 C ATOM 213 NE ARG A 93 9.402 2.442 -2.786 1.00 0.00 N ATOM 214 CZ ARG A 93 9.335 2.054 -4.055 1.00 0.00 C ATOM 215 NH1 ARG A 93 8.325 2.446 -4.819 1.00 0.00 N ATOM 216 NH2 ARG A 93 10.281 1.273 -4.561 1.00 0.00 N ATOM 0 H ARG A 93 7.554 1.438 1.935 1.00 0.00 H new ATOM 0 HA ARG A 93 5.553 2.188 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.220 2.085 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.867 0.678 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.813 1.921 -2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 93 6.368 3.218 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.117 4.094 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.845 3.781 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 93 10.192 2.124 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.597 3.047 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.276 2.147 -5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.060 0.970 -3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.229 0.975 -5.535 1.00 0.00 H new ATOM 230 N SER A 94 6.025 -1.072 0.027 1.00 0.00 N ATOM 231 CA SER A 94 5.418 -2.310 -0.445 1.00 0.00 C ATOM 232 C SER A 94 4.068 -2.544 0.226 1.00 0.00 C ATOM 233 O SER A 94 3.102 -2.951 -0.420 1.00 0.00 O ATOM 234 CB SER A 94 6.347 -3.495 -0.172 1.00 0.00 C ATOM 235 OG SER A 94 6.459 -3.746 1.218 1.00 0.00 O ATOM 0 H SER A 94 6.885 -1.201 0.561 1.00 0.00 H new ATOM 0 HA SER A 94 5.260 -2.221 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.966 -4.383 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.333 -3.291 -0.588 1.00 0.00 H new ATOM 0 HG SER A 94 6.297 -2.917 1.714 1.00 0.00 H new ATOM 241 N LEU A 95 4.009 -2.283 1.528 1.00 0.00 N ATOM 242 CA LEU A 95 2.777 -2.465 2.289 1.00 0.00 C ATOM 243 C LEU A 95 1.615 -1.733 1.626 1.00 0.00 C ATOM 244 O LEU A 95 0.514 -2.273 1.510 1.00 0.00 O ATOM 245 CB LEU A 95 2.961 -1.960 3.721 1.00 0.00 C ATOM 246 CG LEU A 95 1.709 -1.958 4.598 1.00 0.00 C ATOM 247 CD1 LEU A 95 1.329 -3.378 4.990 1.00 0.00 C ATOM 248 CD2 LEU A 95 1.926 -1.101 5.837 1.00 0.00 C ATOM 0 H LEU A 95 4.799 -1.945 2.078 1.00 0.00 H new ATOM 0 HA LEU A 95 2.546 -3.530 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.719 -2.574 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.352 -0.944 3.679 1.00 0.00 H new ATOM 0 HG LEU A 95 0.888 -1.529 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.436 -3.356 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.130 -3.963 4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.149 -3.834 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.024 -1.112 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.761 -1.500 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.149 -0.077 5.537 1.00 0.00 H new ATOM 260 N ILE A 96 1.867 -0.504 1.190 1.00 0.00 N ATOM 261 CA ILE A 96 0.842 0.300 0.535 1.00 0.00 C ATOM 262 C ILE A 96 0.407 -0.332 -0.783 1.00 0.00 C ATOM 263 O ILE A 96 -0.768 -0.642 -0.976 1.00 0.00 O ATOM 264 CB ILE A 96 1.337 1.733 0.265 1.00 0.00 C ATOM 265 CG1 ILE A 96 1.714 2.421 1.579 1.00 0.00 C ATOM 266 CG2 ILE A 96 0.272 2.532 -0.471 1.00 0.00 C ATOM 267 CD1 ILE A 96 2.552 3.667 1.390 1.00 0.00 C ATOM 0 H ILE A 96 2.772 -0.043 1.278 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.009 0.341 1.215 1.00 0.00 H new ATOM 0 HB ILE A 96 2.225 1.682 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.803 2.684 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.261 1.716 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.637 3.543 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.047 2.049 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.633 2.578 0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.782 4.102 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.480 3.408 0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.999 4.390 0.791 1.00 0.00 H new ATOM 279 N MET A 97 1.363 -0.522 -1.686 1.00 0.00 N ATOM 280 CA MET A 97 1.079 -1.120 -2.985 1.00 0.00 C ATOM 281 C MET A 97 0.129 -2.305 -2.842 1.00 0.00 C ATOM 282 O MET A 97 -0.878 -2.395 -3.545 1.00 0.00 O ATOM 283 CB MET A 97 2.377 -1.571 -3.658 1.00 0.00 C ATOM 284 CG MET A 97 3.010 -0.503 -4.535 1.00 0.00 C ATOM 285 SD MET A 97 3.466 0.975 -3.610 1.00 0.00 S ATOM 286 CE MET A 97 5.050 1.363 -4.351 1.00 0.00 C ATOM 0 H MET A 97 2.341 -0.271 -1.542 1.00 0.00 H new ATOM 0 HA MET A 97 0.599 -0.365 -3.607 1.00 0.00 H new ATOM 0 HB2 MET A 97 3.091 -1.868 -2.890 1.00 0.00 H new ATOM 0 HB3 MET A 97 2.175 -2.454 -4.264 1.00 0.00 H new ATOM 0 HG2 MET A 97 3.897 -0.913 -5.017 1.00 0.00 H new ATOM 0 HG3 MET A 97 2.314 -0.230 -5.328 1.00 0.00 H new ATOM 0 HE1 MET A 97 5.337 2.381 -4.085 1.00 0.00 H new ATOM 0 HE2 MET A 97 5.804 0.666 -3.984 1.00 0.00 H new ATOM 0 HE3 MET A 97 4.975 1.279 -5.435 1.00 0.00 H new ATOM 296 N PHE A 98 0.455 -3.213 -1.928 1.00 0.00 N ATOM 297 CA PHE A 98 -0.369 -4.393 -1.693 1.00 0.00 C ATOM 298 C PHE A 98 -1.750 -3.998 -1.178 1.00 0.00 C ATOM 299 O PHE A 98 -2.763 -4.557 -1.597 1.00 0.00 O ATOM 300 CB PHE A 98 0.314 -5.327 -0.692 1.00 0.00 C ATOM 301 CG PHE A 98 1.748 -5.619 -1.027 1.00 0.00 C ATOM 302 CD1 PHE A 98 2.112 -5.987 -2.312 1.00 0.00 C ATOM 303 CD2 PHE A 98 2.733 -5.526 -0.056 1.00 0.00 C ATOM 304 CE1 PHE A 98 3.432 -6.258 -2.622 1.00 0.00 C ATOM 305 CE2 PHE A 98 4.054 -5.795 -0.361 1.00 0.00 C ATOM 306 CZ PHE A 98 4.404 -6.161 -1.646 1.00 0.00 C ATOM 0 H PHE A 98 1.285 -3.154 -1.338 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.491 -4.916 -2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.265 -4.881 0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.239 -6.265 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.357 -6.063 -3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.465 -5.240 0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.703 -6.545 -3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.812 -5.719 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.436 -6.371 -1.887 1.00 0.00 H new ATOM 316 N ARG A 99 -1.781 -3.031 -0.267 1.00 0.00 N ATOM 317 CA ARG A 99 -3.036 -2.562 0.307 1.00 0.00 C ATOM 318 C ARG A 99 -3.925 -1.939 -0.766 1.00 0.00 C ATOM 319 O ARG A 99 -5.011 -2.443 -1.054 1.00 0.00 O ATOM 320 CB ARG A 99 -2.765 -1.542 1.415 1.00 0.00 C ATOM 321 CG ARG A 99 -4.025 -1.043 2.104 1.00 0.00 C ATOM 322 CD ARG A 99 -4.733 -2.163 2.850 1.00 0.00 C ATOM 323 NE ARG A 99 -5.623 -1.652 3.888 1.00 0.00 N ATOM 324 CZ ARG A 99 -6.798 -1.086 3.635 1.00 0.00 C ATOM 325 NH1 ARG A 99 -7.222 -0.960 2.385 1.00 0.00 N ATOM 326 NH2 ARG A 99 -7.553 -0.645 4.634 1.00 0.00 N ATOM 0 H ARG A 99 -0.951 -2.557 0.089 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.556 -3.421 0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -2.108 -1.992 2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.231 -0.691 0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -3.768 -0.246 2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.700 -0.614 1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.307 -2.763 2.144 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.992 -2.823 3.301 1.00 0.00 H new ATOM 0 HE ARG A 99 -5.327 -1.734 4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.646 -1.298 1.614 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -8.125 -0.525 2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.231 -0.741 5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.455 -0.211 4.438 1.00 0.00 H new ATOM 340 N ARG A 100 -3.457 -0.842 -1.352 1.00 0.00 N ATOM 341 CA ARG A 100 -4.211 -0.151 -2.391 1.00 0.00 C ATOM 342 C ARG A 100 -4.668 -1.126 -3.472 1.00 0.00 C ATOM 343 O ARG A 100 -5.746 -0.974 -4.044 1.00 0.00 O ATOM 344 CB ARG A 100 -3.361 0.958 -3.015 1.00 0.00 C ATOM 345 CG ARG A 100 -2.110 0.447 -3.711 1.00 0.00 C ATOM 346 CD ARG A 100 -1.496 1.512 -4.606 1.00 0.00 C ATOM 347 NE ARG A 100 -1.028 2.665 -3.841 1.00 0.00 N ATOM 348 CZ ARG A 100 -0.886 3.881 -4.358 1.00 0.00 C ATOM 349 NH1 ARG A 100 -1.175 4.101 -5.633 1.00 0.00 N ATOM 350 NH2 ARG A 100 -0.454 4.879 -3.598 1.00 0.00 N ATOM 0 H ARG A 100 -2.560 -0.413 -1.125 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.094 0.292 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.968 1.508 -3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.071 1.664 -2.237 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -1.380 0.132 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.357 -0.432 -4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.662 1.082 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -2.233 1.838 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.798 2.529 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.507 3.336 -6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.065 5.035 -6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -0.231 4.713 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.345 5.812 -3.995 1.00 0.00 H new ATOM 364 N GLY A 101 -3.838 -2.128 -3.747 1.00 0.00 N ATOM 365 CA GLY A 101 -4.174 -3.113 -4.758 1.00 0.00 C ATOM 366 C GLY A 101 -5.327 -4.003 -4.340 1.00 0.00 C ATOM 367 O GLY A 101 -6.103 -4.459 -5.179 1.00 0.00 O ATOM 0 H GLY A 101 -2.939 -2.275 -3.288 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.431 -2.603 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.299 -3.730 -4.965 1.00 0.00 H new ATOM 371 N MET A 102 -5.438 -4.253 -3.040 1.00 0.00 N ATOM 372 CA MET A 102 -6.505 -5.096 -2.513 1.00 0.00 C ATOM 373 C MET A 102 -7.675 -4.249 -2.022 1.00 0.00 C ATOM 374 O MET A 102 -8.754 -4.770 -1.739 1.00 0.00 O ATOM 375 CB MET A 102 -5.978 -5.969 -1.372 1.00 0.00 C ATOM 376 CG MET A 102 -5.385 -7.288 -1.840 1.00 0.00 C ATOM 377 SD MET A 102 -4.434 -8.118 -0.552 1.00 0.00 S ATOM 378 CE MET A 102 -5.639 -9.298 0.051 1.00 0.00 C ATOM 0 H MET A 102 -4.803 -3.884 -2.332 1.00 0.00 H new ATOM 0 HA MET A 102 -6.858 -5.739 -3.319 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.219 -5.414 -0.822 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.791 -6.173 -0.676 1.00 0.00 H new ATOM 0 HG2 MET A 102 -6.188 -7.945 -2.174 1.00 0.00 H new ATOM 0 HG3 MET A 102 -4.742 -7.108 -2.702 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.536 -9.404 1.131 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.643 -8.945 -0.185 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.473 -10.264 -0.426 1.00 0.00 H new ATOM 388 N ASP A 103 -7.453 -2.943 -1.923 1.00 0.00 N ATOM 389 CA ASP A 103 -8.490 -2.024 -1.468 1.00 0.00 C ATOM 390 C ASP A 103 -9.850 -2.412 -2.040 1.00 0.00 C ATOM 391 O ASP A 103 -10.858 -2.396 -1.337 1.00 0.00 O ATOM 392 CB ASP A 103 -8.143 -0.590 -1.870 1.00 0.00 C ATOM 393 CG ASP A 103 -9.266 0.383 -1.572 1.00 0.00 C ATOM 394 OD1 ASP A 103 -9.497 0.674 -0.379 1.00 0.00 O ATOM 395 OD2 ASP A 103 -9.915 0.853 -2.530 1.00 0.00 O ATOM 0 H ASP A 103 -6.565 -2.497 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.543 -2.085 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.244 -0.275 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.913 -0.560 -2.935 1.00 0.00 H new ATOM 400 N GLY A 104 -9.869 -2.758 -3.324 1.00 0.00 N ATOM 401 CA GLY A 104 -11.110 -3.144 -3.970 1.00 0.00 C ATOM 402 C GLY A 104 -12.024 -3.927 -3.049 1.00 0.00 C ATOM 403 O GLY A 104 -13.230 -3.678 -3.000 1.00 0.00 O ATOM 0 H GLY A 104 -9.047 -2.778 -3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -11.628 -2.250 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.886 -3.745 -4.851 1.00 0.00 H new ATOM 407 N LEU A 105 -11.452 -4.877 -2.318 1.00 0.00 N ATOM 408 CA LEU A 105 -12.224 -5.701 -1.394 1.00 0.00 C ATOM 409 C LEU A 105 -12.543 -4.933 -0.115 1.00 0.00 C ATOM 410 O LEU A 105 -13.708 -4.730 0.225 1.00 0.00 O ATOM 411 CB LEU A 105 -11.456 -6.980 -1.057 1.00 0.00 C ATOM 412 CG LEU A 105 -11.000 -7.823 -2.248 1.00 0.00 C ATOM 413 CD1 LEU A 105 -9.869 -8.755 -1.840 1.00 0.00 C ATOM 414 CD2 LEU A 105 -12.167 -8.615 -2.818 1.00 0.00 C ATOM 0 H LEU A 105 -10.456 -5.096 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.163 -5.966 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -10.577 -6.709 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.085 -7.600 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 105 -10.629 -7.152 -3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.557 -9.347 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.025 -8.167 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.213 -9.420 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -11.824 -9.209 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.568 -9.276 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.946 -7.928 -3.148 1.00 0.00 H new ATOM 426 N PHE A 106 -11.499 -4.506 0.588 1.00 0.00 N ATOM 427 CA PHE A 106 -11.668 -3.758 1.829 1.00 0.00 C ATOM 428 C PHE A 106 -12.826 -2.771 1.716 1.00 0.00 C ATOM 429 O PHE A 106 -13.657 -2.667 2.617 1.00 0.00 O ATOM 430 CB PHE A 106 -10.379 -3.012 2.178 1.00 0.00 C ATOM 431 CG PHE A 106 -9.303 -3.901 2.733 1.00 0.00 C ATOM 432 CD1 PHE A 106 -8.410 -4.541 1.888 1.00 0.00 C ATOM 433 CD2 PHE A 106 -9.184 -4.097 4.099 1.00 0.00 C ATOM 434 CE1 PHE A 106 -7.420 -5.360 2.395 1.00 0.00 C ATOM 435 CE2 PHE A 106 -8.195 -4.915 4.613 1.00 0.00 C ATOM 436 CZ PHE A 106 -7.311 -5.547 3.760 1.00 0.00 C ATOM 0 H PHE A 106 -10.528 -4.665 0.320 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.896 -4.468 2.624 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.003 -2.515 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.606 -2.232 2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.489 -4.398 0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.872 -3.605 4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.732 -5.854 1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.114 -5.060 5.680 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.537 -6.186 4.159 1.00 0.00 H new ATOM 446 N ASN A 107 -12.872 -2.047 0.602 1.00 0.00 N ATOM 447 CA ASN A 107 -13.926 -1.067 0.371 1.00 0.00 C ATOM 448 C ASN A 107 -15.285 -1.621 0.787 1.00 0.00 C ATOM 449 O ASN A 107 -15.934 -1.093 1.692 1.00 0.00 O ATOM 450 CB ASN A 107 -13.959 -0.660 -1.104 1.00 0.00 C ATOM 451 CG ASN A 107 -15.295 -0.068 -1.511 1.00 0.00 C ATOM 452 OD1 ASN A 107 -15.803 0.849 -0.865 1.00 0.00 O ATOM 453 ND2 ASN A 107 -15.870 -0.592 -2.587 1.00 0.00 N ATOM 0 H ASN A 107 -12.192 -2.121 -0.154 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.710 -0.188 0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.169 0.067 -1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -13.747 -1.532 -1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -16.770 -0.235 -2.909 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -15.412 -1.351 -3.091 1.00 0.00 H new ATOM 460 N THR A 108 -15.712 -2.690 0.121 1.00 0.00 N ATOM 461 CA THR A 108 -16.993 -3.316 0.421 1.00 0.00 C ATOM 462 C THR A 108 -16.800 -4.705 1.019 1.00 0.00 C ATOM 463 O THR A 108 -16.756 -5.701 0.297 1.00 0.00 O ATOM 464 CB THR A 108 -17.871 -3.430 -0.839 1.00 0.00 C ATOM 465 OG1 THR A 108 -18.055 -2.137 -1.426 1.00 0.00 O ATOM 466 CG2 THR A 108 -19.225 -4.036 -0.502 1.00 0.00 C ATOM 0 H THR A 108 -15.189 -3.140 -0.630 1.00 0.00 H new ATOM 0 HA THR A 108 -17.494 -2.677 1.148 1.00 0.00 H new ATOM 0 HB THR A 108 -17.365 -4.083 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 108 -18.613 -2.218 -2.228 1.00 0.00 H new ATOM 0 HG21 THR A 108 -19.828 -4.107 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 108 -19.084 -5.032 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 108 -19.735 -3.405 0.225 1.00 0.00 H new ATOM 474 N SER A 109 -16.685 -4.765 2.342 1.00 0.00 N ATOM 475 CA SER A 109 -16.493 -6.032 3.036 1.00 0.00 C ATOM 476 C SER A 109 -16.922 -5.922 4.496 1.00 0.00 C ATOM 477 O SER A 109 -16.729 -4.888 5.137 1.00 0.00 O ATOM 478 CB SER A 109 -15.028 -6.466 2.955 1.00 0.00 C ATOM 479 OG SER A 109 -14.907 -7.875 3.038 1.00 0.00 O ATOM 0 H SER A 109 -16.722 -3.950 2.954 1.00 0.00 H new ATOM 0 HA SER A 109 -17.114 -6.783 2.548 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.593 -6.115 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.463 -6.001 3.763 1.00 0.00 H new ATOM 0 HG SER A 109 -13.961 -8.126 2.982 1.00 0.00 H new ATOM 485 N LYS A 110 -17.506 -6.996 5.017 1.00 0.00 N ATOM 486 CA LYS A 110 -17.963 -7.024 6.401 1.00 0.00 C ATOM 487 C LYS A 110 -16.794 -7.246 7.356 1.00 0.00 C ATOM 488 O LYS A 110 -16.649 -6.535 8.350 1.00 0.00 O ATOM 489 CB LYS A 110 -19.008 -8.125 6.593 1.00 0.00 C ATOM 490 CG LYS A 110 -20.339 -7.823 5.927 1.00 0.00 C ATOM 491 CD LYS A 110 -21.394 -8.853 6.296 1.00 0.00 C ATOM 492 CE LYS A 110 -22.080 -8.504 7.607 1.00 0.00 C ATOM 493 NZ LYS A 110 -23.108 -7.441 7.429 1.00 0.00 N ATOM 0 H LYS A 110 -17.674 -7.859 4.501 1.00 0.00 H new ATOM 0 HA LYS A 110 -18.416 -6.059 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -18.616 -9.060 6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -19.171 -8.277 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -20.679 -6.831 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -20.210 -7.805 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -22.137 -8.915 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -20.931 -9.836 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -22.549 -9.397 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -21.335 -8.171 8.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -23.553 -7.231 8.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -22.657 -6.580 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -23.833 -7.768 6.759 1.00 0.00 H new ATOM 507 N SER A 111 -15.963 -8.236 7.046 1.00 0.00 N ATOM 508 CA SER A 111 -14.808 -8.553 7.878 1.00 0.00 C ATOM 509 C SER A 111 -13.546 -8.682 7.030 1.00 0.00 C ATOM 510 O SER A 111 -13.369 -9.662 6.308 1.00 0.00 O ATOM 511 CB SER A 111 -15.051 -9.850 8.653 1.00 0.00 C ATOM 512 OG SER A 111 -15.767 -9.603 9.850 1.00 0.00 O ATOM 0 H SER A 111 -16.068 -8.832 6.225 1.00 0.00 H new ATOM 0 HA SER A 111 -14.667 -7.736 8.586 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.608 -10.550 8.030 1.00 0.00 H new ATOM 0 HB3 SER A 111 -14.097 -10.321 8.887 1.00 0.00 H new ATOM 0 HG SER A 111 -15.911 -10.448 10.325 1.00 0.00 H new ATOM 518 N ASN A 112 -12.673 -7.684 7.124 1.00 0.00 N ATOM 519 CA ASN A 112 -11.427 -7.685 6.366 1.00 0.00 C ATOM 520 C ASN A 112 -10.365 -8.528 7.065 1.00 0.00 C ATOM 521 O ASN A 112 -9.209 -8.119 7.181 1.00 0.00 O ATOM 522 CB ASN A 112 -10.918 -6.254 6.180 1.00 0.00 C ATOM 523 CG ASN A 112 -11.164 -5.390 7.401 1.00 0.00 C ATOM 524 OD1 ASN A 112 -10.590 -5.622 8.465 1.00 0.00 O ATOM 525 ND2 ASN A 112 -12.022 -4.387 7.253 1.00 0.00 N ATOM 0 H ASN A 112 -12.805 -6.865 7.717 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.626 -8.123 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -9.850 -6.276 5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -11.409 -5.806 5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -12.228 -3.772 8.040 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -12.475 -4.232 6.352 1.00 0.00 H new ATOM 532 N LYS A 113 -10.764 -9.707 7.529 1.00 0.00 N ATOM 533 CA LYS A 113 -9.848 -10.610 8.216 1.00 0.00 C ATOM 534 C LYS A 113 -8.960 -11.346 7.218 1.00 0.00 C ATOM 535 O LYS A 113 -7.733 -11.305 7.315 1.00 0.00 O ATOM 536 CB LYS A 113 -10.630 -11.619 9.060 1.00 0.00 C ATOM 537 CG LYS A 113 -9.866 -12.118 10.274 1.00 0.00 C ATOM 538 CD LYS A 113 -10.771 -12.877 11.229 1.00 0.00 C ATOM 539 CE LYS A 113 -11.146 -14.243 10.676 1.00 0.00 C ATOM 540 NZ LYS A 113 -9.995 -15.188 10.705 1.00 0.00 N ATOM 0 H LYS A 113 -11.717 -10.060 7.442 1.00 0.00 H new ATOM 0 HA LYS A 113 -9.213 -10.014 8.871 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -11.561 -11.159 9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.900 -12.471 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.051 -12.766 9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.414 -11.273 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -10.269 -12.997 12.189 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -11.675 -12.297 11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -11.970 -14.656 11.257 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.502 -14.135 9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -10.336 -16.155 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -9.311 -14.925 9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.534 -15.145 11.636 1.00 0.00 H new ATOM 554 N HIS A 114 -9.587 -12.019 6.258 1.00 0.00 N ATOM 555 CA HIS A 114 -8.853 -12.762 5.240 1.00 0.00 C ATOM 556 C HIS A 114 -8.010 -11.823 4.383 1.00 0.00 C ATOM 557 O HIS A 114 -7.073 -12.253 3.709 1.00 0.00 O ATOM 558 CB HIS A 114 -9.821 -13.548 4.355 1.00 0.00 C ATOM 559 CG HIS A 114 -11.151 -12.881 4.183 1.00 0.00 C ATOM 560 ND1 HIS A 114 -12.325 -13.580 3.996 1.00 0.00 N ATOM 561 CD2 HIS A 114 -11.489 -11.571 4.171 1.00 0.00 C ATOM 562 CE1 HIS A 114 -13.327 -12.728 3.875 1.00 0.00 C ATOM 563 NE2 HIS A 114 -12.847 -11.502 3.978 1.00 0.00 N ATOM 0 H HIS A 114 -10.602 -12.065 6.164 1.00 0.00 H new ATOM 0 HA HIS A 114 -8.186 -13.460 5.746 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.367 -13.694 3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.973 -14.537 4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.816 -10.735 4.291 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -14.363 -12.990 3.718 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -13.395 -10.644 3.923 1.00 0.00 H new ATOM 571 N LEU A 115 -8.349 -10.539 4.413 1.00 0.00 N ATOM 572 CA LEU A 115 -7.624 -9.538 3.638 1.00 0.00 C ATOM 573 C LEU A 115 -6.323 -9.149 4.334 1.00 0.00 C ATOM 574 O LEU A 115 -5.234 -9.366 3.802 1.00 0.00 O ATOM 575 CB LEU A 115 -8.494 -8.297 3.429 1.00 0.00 C ATOM 576 CG LEU A 115 -9.936 -8.556 2.992 1.00 0.00 C ATOM 577 CD1 LEU A 115 -10.532 -7.310 2.354 1.00 0.00 C ATOM 578 CD2 LEU A 115 -9.999 -9.732 2.028 1.00 0.00 C ATOM 0 H LEU A 115 -9.121 -10.166 4.966 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.381 -9.971 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.514 -7.730 4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.016 -7.665 2.681 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.524 -8.805 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.559 -7.513 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.522 -6.492 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.943 -7.031 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.033 -9.901 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -9.397 -9.513 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.612 -10.625 2.518 1.00 0.00 H new ATOM 590 N TRP A 116 -6.444 -8.575 5.525 1.00 0.00 N ATOM 591 CA TRP A 116 -5.277 -8.157 6.294 1.00 0.00 C ATOM 592 C TRP A 116 -4.267 -9.293 6.410 1.00 0.00 C ATOM 593 O TRP A 116 -3.059 -9.069 6.349 1.00 0.00 O ATOM 594 CB TRP A 116 -5.700 -7.691 7.688 1.00 0.00 C ATOM 595 CG TRP A 116 -6.129 -6.255 7.729 1.00 0.00 C ATOM 596 CD1 TRP A 116 -7.350 -5.775 8.107 1.00 0.00 C ATOM 597 CD2 TRP A 116 -5.338 -5.114 7.378 1.00 0.00 C ATOM 598 NE1 TRP A 116 -7.366 -4.404 8.011 1.00 0.00 N ATOM 599 CE2 TRP A 116 -6.143 -3.974 7.568 1.00 0.00 C ATOM 600 CE3 TRP A 116 -4.027 -4.945 6.925 1.00 0.00 C ATOM 601 CZ2 TRP A 116 -5.680 -2.686 7.317 1.00 0.00 C ATOM 602 CZ3 TRP A 116 -3.568 -3.665 6.676 1.00 0.00 C ATOM 603 CH2 TRP A 116 -4.393 -2.549 6.874 1.00 0.00 C ATOM 0 H TRP A 116 -7.338 -8.388 5.980 1.00 0.00 H new ATOM 0 HA TRP A 116 -4.804 -7.327 5.769 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -6.519 -8.318 8.040 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -4.869 -7.835 8.379 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -8.181 -6.383 8.433 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -8.160 -3.804 8.234 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -3.384 -5.799 6.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.314 -1.825 7.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -2.557 -3.522 6.323 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -4.005 -1.561 6.673 1.00 0.00 H new ATOM 614 N GLU A 117 -4.770 -10.512 6.576 1.00 0.00 N ATOM 615 CA GLU A 117 -3.909 -11.683 6.701 1.00 0.00 C ATOM 616 C GLU A 117 -3.186 -11.968 5.388 1.00 0.00 C ATOM 617 O GLU A 117 -1.967 -12.139 5.364 1.00 0.00 O ATOM 618 CB GLU A 117 -4.729 -12.904 7.120 1.00 0.00 C ATOM 619 CG GLU A 117 -4.923 -13.021 8.623 1.00 0.00 C ATOM 620 CD GLU A 117 -5.069 -14.458 9.083 1.00 0.00 C ATOM 621 OE1 GLU A 117 -5.651 -15.266 8.328 1.00 0.00 O ATOM 622 OE2 GLU A 117 -4.601 -14.776 10.196 1.00 0.00 O ATOM 0 H GLU A 117 -5.768 -10.715 6.627 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.164 -11.475 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -5.706 -12.858 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -4.236 -13.805 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -4.073 -12.565 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -5.809 -12.458 8.916 1.00 0.00 H new ATOM 629 N GLN A 118 -3.946 -12.019 4.299 1.00 0.00 N ATOM 630 CA GLN A 118 -3.378 -12.285 2.983 1.00 0.00 C ATOM 631 C GLN A 118 -2.234 -11.323 2.679 1.00 0.00 C ATOM 632 O GLN A 118 -1.162 -11.738 2.237 1.00 0.00 O ATOM 633 CB GLN A 118 -4.458 -12.169 1.905 1.00 0.00 C ATOM 634 CG GLN A 118 -5.180 -13.476 1.624 1.00 0.00 C ATOM 635 CD GLN A 118 -6.009 -13.424 0.355 1.00 0.00 C ATOM 636 OE1 GLN A 118 -5.563 -13.853 -0.709 1.00 0.00 O ATOM 637 NE2 GLN A 118 -7.223 -12.897 0.463 1.00 0.00 N ATOM 0 H GLN A 118 -4.956 -11.880 4.302 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.983 -13.301 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.187 -11.420 2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.002 -11.810 0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.449 -14.280 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -5.828 -13.717 2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.552 -12.554 1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.827 -12.836 -0.357 1.00 0.00 H new ATOM 646 N ILE A 119 -2.469 -10.038 2.918 1.00 0.00 N ATOM 647 CA ILE A 119 -1.458 -9.018 2.671 1.00 0.00 C ATOM 648 C ILE A 119 -0.159 -9.343 3.401 1.00 0.00 C ATOM 649 O ILE A 119 0.891 -9.505 2.779 1.00 0.00 O ATOM 650 CB ILE A 119 -1.945 -7.624 3.109 1.00 0.00 C ATOM 651 CG1 ILE A 119 -3.162 -7.202 2.283 1.00 0.00 C ATOM 652 CG2 ILE A 119 -0.825 -6.604 2.970 1.00 0.00 C ATOM 653 CD1 ILE A 119 -3.886 -5.998 2.844 1.00 0.00 C ATOM 0 H ILE A 119 -3.351 -9.678 3.283 1.00 0.00 H new ATOM 0 HA ILE A 119 -1.276 -9.009 1.596 1.00 0.00 H new ATOM 0 HB ILE A 119 -2.239 -7.671 4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.841 -6.981 1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -3.858 -8.039 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.185 -5.624 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.016 -6.899 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.503 -6.557 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.737 -5.756 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.238 -6.222 3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.205 -5.147 2.878 1.00 0.00 H new ATOM 665 N SER A 120 -0.239 -9.438 4.725 1.00 0.00 N ATOM 666 CA SER A 120 0.931 -9.741 5.541 1.00 0.00 C ATOM 667 C SER A 120 1.771 -10.841 4.898 1.00 0.00 C ATOM 668 O SER A 120 2.999 -10.764 4.871 1.00 0.00 O ATOM 669 CB SER A 120 0.502 -10.167 6.946 1.00 0.00 C ATOM 670 OG SER A 120 1.583 -10.079 7.858 1.00 0.00 O ATOM 0 H SER A 120 -1.101 -9.310 5.255 1.00 0.00 H new ATOM 0 HA SER A 120 1.538 -8.838 5.612 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.318 -9.535 7.287 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.126 -11.190 6.920 1.00 0.00 H new ATOM 0 HG SER A 120 2.087 -10.920 7.850 1.00 0.00 H new ATOM 676 N SER A 121 1.098 -11.866 4.383 1.00 0.00 N ATOM 677 CA SER A 121 1.781 -12.985 3.744 1.00 0.00 C ATOM 678 C SER A 121 2.365 -12.568 2.398 1.00 0.00 C ATOM 679 O SER A 121 3.538 -12.810 2.114 1.00 0.00 O ATOM 680 CB SER A 121 0.817 -14.157 3.554 1.00 0.00 C ATOM 681 OG SER A 121 1.449 -15.234 2.885 1.00 0.00 O ATOM 0 H SER A 121 0.081 -11.944 4.396 1.00 0.00 H new ATOM 0 HA SER A 121 2.599 -13.298 4.393 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.451 -14.492 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.051 -13.829 2.982 1.00 0.00 H new ATOM 0 HG SER A 121 0.812 -15.971 2.777 1.00 0.00 H new ATOM 687 N LYS A 122 1.537 -11.938 1.571 1.00 0.00 N ATOM 688 CA LYS A 122 1.968 -11.485 0.254 1.00 0.00 C ATOM 689 C LYS A 122 3.286 -10.724 0.345 1.00 0.00 C ATOM 690 O LYS A 122 4.264 -11.076 -0.316 1.00 0.00 O ATOM 691 CB LYS A 122 0.895 -10.595 -0.379 1.00 0.00 C ATOM 692 CG LYS A 122 -0.391 -11.333 -0.708 1.00 0.00 C ATOM 693 CD LYS A 122 -0.277 -12.095 -2.018 1.00 0.00 C ATOM 694 CE LYS A 122 -1.183 -13.316 -2.032 1.00 0.00 C ATOM 695 NZ LYS A 122 -2.621 -12.941 -1.944 1.00 0.00 N ATOM 0 H LYS A 122 0.563 -11.730 1.790 1.00 0.00 H new ATOM 0 HA LYS A 122 2.119 -12.364 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 122 0.669 -9.774 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.294 -10.153 -1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.630 -12.027 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.214 -10.621 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.538 -11.437 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.757 -12.406 -2.171 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -1.011 -13.885 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.926 -13.968 -1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.208 -13.797 -2.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -2.801 -12.465 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -2.861 -12.298 -2.726 1.00 0.00 H new ATOM 709 N MET A 123 3.307 -9.681 1.168 1.00 0.00 N ATOM 710 CA MET A 123 4.507 -8.872 1.347 1.00 0.00 C ATOM 711 C MET A 123 5.623 -9.690 1.989 1.00 0.00 C ATOM 712 O MET A 123 6.795 -9.537 1.645 1.00 0.00 O ATOM 713 CB MET A 123 4.198 -7.645 2.206 1.00 0.00 C ATOM 714 CG MET A 123 3.891 -7.981 3.657 1.00 0.00 C ATOM 715 SD MET A 123 5.371 -8.028 4.687 1.00 0.00 S ATOM 716 CE MET A 123 5.939 -6.336 4.541 1.00 0.00 C ATOM 0 H MET A 123 2.506 -9.376 1.722 1.00 0.00 H new ATOM 0 HA MET A 123 4.842 -8.542 0.364 1.00 0.00 H new ATOM 0 HB2 MET A 123 5.048 -6.964 2.171 1.00 0.00 H new ATOM 0 HB3 MET A 123 3.348 -7.116 1.776 1.00 0.00 H new ATOM 0 HG2 MET A 123 3.197 -7.242 4.058 1.00 0.00 H new ATOM 0 HG3 MET A 123 3.390 -8.948 3.704 1.00 0.00 H new ATOM 0 HE1 MET A 123 6.478 -6.054 5.445 1.00 0.00 H new ATOM 0 HE2 MET A 123 6.603 -6.248 3.681 1.00 0.00 H new ATOM 0 HE3 MET A 123 5.083 -5.675 4.408 1.00 0.00 H new ATOM 726 N ARG A 124 5.251 -10.558 2.924 1.00 0.00 N ATOM 727 CA ARG A 124 6.220 -11.398 3.616 1.00 0.00 C ATOM 728 C ARG A 124 7.025 -12.231 2.622 1.00 0.00 C ATOM 729 O ARG A 124 8.240 -12.371 2.756 1.00 0.00 O ATOM 730 CB ARG A 124 5.512 -12.318 4.612 1.00 0.00 C ATOM 731 CG ARG A 124 6.445 -13.291 5.313 1.00 0.00 C ATOM 732 CD ARG A 124 5.733 -14.043 6.427 1.00 0.00 C ATOM 733 NE ARG A 124 4.874 -15.104 5.908 1.00 0.00 N ATOM 734 CZ ARG A 124 5.309 -16.324 5.614 1.00 0.00 C ATOM 735 NH1 ARG A 124 6.587 -16.635 5.786 1.00 0.00 N ATOM 736 NH2 ARG A 124 4.466 -17.236 5.146 1.00 0.00 N ATOM 0 H ARG A 124 4.285 -10.698 3.220 1.00 0.00 H new ATOM 0 HA ARG A 124 6.905 -10.747 4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.007 -11.708 5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.740 -12.882 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 124 6.842 -14.002 4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.296 -12.748 5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 124 6.471 -14.473 7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 124 5.134 -13.344 7.011 1.00 0.00 H new ATOM 0 HE ARG A 124 3.886 -14.897 5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.238 -15.937 6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 124 6.919 -17.573 5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 124 3.483 -17.000 5.012 1.00 0.00 H new ATOM 0 HH22 ARG A 124 4.801 -18.173 4.921 1.00 0.00 H new ATOM 750 N GLU A 125 6.338 -12.781 1.626 1.00 0.00 N ATOM 751 CA GLU A 125 6.990 -13.600 0.611 1.00 0.00 C ATOM 752 C GLU A 125 8.281 -12.945 0.129 1.00 0.00 C ATOM 753 O GLU A 125 9.309 -13.606 -0.019 1.00 0.00 O ATOM 754 CB GLU A 125 6.048 -13.829 -0.574 1.00 0.00 C ATOM 755 CG GLU A 125 4.846 -14.695 -0.237 1.00 0.00 C ATOM 756 CD GLU A 125 3.969 -14.970 -1.443 1.00 0.00 C ATOM 757 OE1 GLU A 125 3.671 -14.016 -2.191 1.00 0.00 O ATOM 758 OE2 GLU A 125 3.582 -16.141 -1.639 1.00 0.00 O ATOM 0 H GLU A 125 5.331 -12.675 1.500 1.00 0.00 H new ATOM 0 HA GLU A 125 7.237 -14.562 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.699 -12.864 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.606 -14.296 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.190 -15.641 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 125 4.253 -14.203 0.534 1.00 0.00 H new ATOM 765 N LYS A 126 8.220 -11.640 -0.116 1.00 0.00 N ATOM 766 CA LYS A 126 9.382 -10.893 -0.581 1.00 0.00 C ATOM 767 C LYS A 126 10.627 -11.275 0.213 1.00 0.00 C ATOM 768 O LYS A 126 11.714 -11.412 -0.346 1.00 0.00 O ATOM 769 CB LYS A 126 9.129 -9.389 -0.460 1.00 0.00 C ATOM 770 CG LYS A 126 7.892 -8.919 -1.205 1.00 0.00 C ATOM 771 CD LYS A 126 8.106 -8.936 -2.710 1.00 0.00 C ATOM 772 CE LYS A 126 8.883 -7.714 -3.176 1.00 0.00 C ATOM 773 NZ LYS A 126 9.264 -7.815 -4.612 1.00 0.00 N ATOM 0 H LYS A 126 7.377 -11.078 0.000 1.00 0.00 H new ATOM 0 HA LYS A 126 9.549 -11.144 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 126 9.029 -9.129 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 126 9.998 -8.851 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.047 -9.559 -0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.635 -7.909 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.645 -9.841 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 126 7.141 -8.969 -3.216 1.00 0.00 H new ATOM 0 HE2 LYS A 126 8.280 -6.819 -3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 126 9.781 -7.601 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 9.792 -6.964 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 9.861 -8.655 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 8.406 -7.897 -5.194 1.00 0.00 H new ATOM 787 N GLY A 127 10.460 -11.446 1.521 1.00 0.00 N ATOM 788 CA GLY A 127 11.579 -11.812 2.370 1.00 0.00 C ATOM 789 C GLY A 127 11.629 -10.996 3.647 1.00 0.00 C ATOM 790 O GLY A 127 12.708 -10.645 4.125 1.00 0.00 O ATOM 0 H GLY A 127 9.570 -11.338 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 127 11.510 -12.870 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 127 12.509 -11.676 1.819 1.00 0.00 H new ATOM 794 N PHE A 128 10.460 -10.692 4.199 1.00 0.00 N ATOM 795 CA PHE A 128 10.374 -9.910 5.427 1.00 0.00 C ATOM 796 C PHE A 128 9.299 -10.469 6.354 1.00 0.00 C ATOM 797 O PHE A 128 8.105 -10.288 6.118 1.00 0.00 O ATOM 798 CB PHE A 128 10.074 -8.445 5.103 1.00 0.00 C ATOM 799 CG PHE A 128 10.919 -7.891 3.992 1.00 0.00 C ATOM 800 CD1 PHE A 128 12.237 -7.531 4.221 1.00 0.00 C ATOM 801 CD2 PHE A 128 10.395 -7.731 2.720 1.00 0.00 C ATOM 802 CE1 PHE A 128 13.016 -7.019 3.200 1.00 0.00 C ATOM 803 CE2 PHE A 128 11.170 -7.220 1.695 1.00 0.00 C ATOM 804 CZ PHE A 128 12.482 -6.865 1.935 1.00 0.00 C ATOM 0 H PHE A 128 9.558 -10.975 3.816 1.00 0.00 H new ATOM 0 HA PHE A 128 11.335 -9.973 5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 128 9.023 -8.349 4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 128 10.227 -7.844 5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 128 12.660 -7.652 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.369 -8.008 2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 128 14.042 -6.740 3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 128 10.749 -7.099 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 128 13.090 -6.468 1.136 1.00 0.00 H new ATOM 814 N ASP A 129 9.733 -11.149 7.410 1.00 0.00 N ATOM 815 CA ASP A 129 8.809 -11.734 8.374 1.00 0.00 C ATOM 816 C ASP A 129 8.008 -10.649 9.088 1.00 0.00 C ATOM 817 O ASP A 129 8.569 -9.818 9.802 1.00 0.00 O ATOM 818 CB ASP A 129 9.572 -12.578 9.397 1.00 0.00 C ATOM 819 CG ASP A 129 9.994 -11.774 10.611 1.00 0.00 C ATOM 820 OD1 ASP A 129 10.937 -10.965 10.488 1.00 0.00 O ATOM 821 OD2 ASP A 129 9.380 -11.954 11.684 1.00 0.00 O ATOM 0 H ASP A 129 10.718 -11.308 7.620 1.00 0.00 H new ATOM 0 HA ASP A 129 8.115 -12.375 7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.946 -13.411 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.455 -13.007 8.924 1.00 0.00 H new ATOM 826 N ARG A 130 6.694 -10.663 8.888 1.00 0.00 N ATOM 827 CA ARG A 130 5.817 -9.678 9.511 1.00 0.00 C ATOM 828 C ARG A 130 4.470 -10.300 9.869 1.00 0.00 C ATOM 829 O ARG A 130 4.036 -11.267 9.243 1.00 0.00 O ATOM 830 CB ARG A 130 5.608 -8.486 8.575 1.00 0.00 C ATOM 831 CG ARG A 130 6.783 -7.522 8.545 1.00 0.00 C ATOM 832 CD ARG A 130 6.849 -6.685 9.812 1.00 0.00 C ATOM 833 NE ARG A 130 7.848 -5.624 9.716 1.00 0.00 N ATOM 834 CZ ARG A 130 9.157 -5.836 9.804 1.00 0.00 C ATOM 835 NH1 ARG A 130 9.621 -7.064 9.989 1.00 0.00 N ATOM 836 NH2 ARG A 130 10.003 -4.819 9.706 1.00 0.00 N ATOM 0 H ARG A 130 6.214 -11.344 8.300 1.00 0.00 H new ATOM 0 HA ARG A 130 6.293 -9.332 10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 130 5.426 -8.855 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 130 4.713 -7.945 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 130 7.711 -8.082 8.428 1.00 0.00 H new ATOM 0 HG3 ARG A 130 6.695 -6.866 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 130 5.871 -6.245 10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 130 7.084 -7.329 10.660 1.00 0.00 H new ATOM 0 HE ARG A 130 7.523 -4.668 9.574 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.973 -7.848 10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.626 -7.225 10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 130 9.649 -3.873 9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 130 11.007 -4.983 9.774 1.00 0.00 H new ATOM 850 N SER A 131 3.815 -9.738 10.879 1.00 0.00 N ATOM 851 CA SER A 131 2.519 -10.239 11.323 1.00 0.00 C ATOM 852 C SER A 131 1.387 -9.371 10.784 1.00 0.00 C ATOM 853 O SER A 131 1.588 -8.230 10.369 1.00 0.00 O ATOM 854 CB SER A 131 2.462 -10.281 12.852 1.00 0.00 C ATOM 855 OG SER A 131 2.909 -11.532 13.345 1.00 0.00 O ATOM 0 H SER A 131 4.160 -8.935 11.406 1.00 0.00 H new ATOM 0 HA SER A 131 2.395 -11.249 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 131 3.079 -9.483 13.264 1.00 0.00 H new ATOM 0 HB3 SER A 131 1.441 -10.099 13.186 1.00 0.00 H new ATOM 0 HG SER A 131 2.864 -11.533 14.324 1.00 0.00 H new ATOM 861 N PRO A 132 0.165 -9.924 10.789 1.00 0.00 N ATOM 862 CA PRO A 132 -1.025 -9.219 10.304 1.00 0.00 C ATOM 863 C PRO A 132 -1.434 -8.072 11.221 1.00 0.00 C ATOM 864 O PRO A 132 -1.946 -7.050 10.764 1.00 0.00 O ATOM 865 CB PRO A 132 -2.103 -10.306 10.295 1.00 0.00 C ATOM 866 CG PRO A 132 -1.652 -11.295 11.314 1.00 0.00 C ATOM 867 CD PRO A 132 -0.149 -11.281 11.269 1.00 0.00 C ATOM 0 HA PRO A 132 -0.856 -8.758 9.331 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -3.081 -9.896 10.547 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -2.194 -10.765 9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -2.015 -11.026 12.306 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -2.040 -12.289 11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 132 0.284 -11.470 12.251 1.00 0.00 H new ATOM 0 HD3 PRO A 132 0.240 -12.045 10.596 1.00 0.00 H new ATOM 875 N ASP A 133 -1.204 -8.248 12.518 1.00 0.00 N ATOM 876 CA ASP A 133 -1.547 -7.226 13.500 1.00 0.00 C ATOM 877 C ASP A 133 -0.677 -5.985 13.320 1.00 0.00 C ATOM 878 O ASP A 133 -1.054 -4.887 13.728 1.00 0.00 O ATOM 879 CB ASP A 133 -1.384 -7.776 14.918 1.00 0.00 C ATOM 880 CG ASP A 133 -2.134 -9.078 15.124 1.00 0.00 C ATOM 881 OD1 ASP A 133 -3.342 -9.121 14.812 1.00 0.00 O ATOM 882 OD2 ASP A 133 -1.512 -10.052 15.597 1.00 0.00 O ATOM 0 H ASP A 133 -0.782 -9.088 12.913 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.588 -6.944 13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -0.325 -7.933 15.124 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -1.742 -7.037 15.635 1.00 0.00 H new ATOM 887 N MET A 134 0.487 -6.169 12.707 1.00 0.00 N ATOM 888 CA MET A 134 1.410 -5.065 12.473 1.00 0.00 C ATOM 889 C MET A 134 0.860 -4.112 11.416 1.00 0.00 C ATOM 890 O MET A 134 0.697 -2.917 11.669 1.00 0.00 O ATOM 891 CB MET A 134 2.776 -5.597 12.035 1.00 0.00 C ATOM 892 CG MET A 134 3.334 -6.669 12.956 1.00 0.00 C ATOM 893 SD MET A 134 5.078 -7.011 12.649 1.00 0.00 S ATOM 894 CE MET A 134 5.853 -5.774 13.687 1.00 0.00 C ATOM 0 H MET A 134 0.814 -7.072 12.363 1.00 0.00 H new ATOM 0 HA MET A 134 1.525 -4.516 13.408 1.00 0.00 H new ATOM 0 HB2 MET A 134 2.692 -6.003 11.027 1.00 0.00 H new ATOM 0 HB3 MET A 134 3.482 -4.768 11.987 1.00 0.00 H new ATOM 0 HG2 MET A 134 3.206 -6.355 13.992 1.00 0.00 H new ATOM 0 HG3 MET A 134 2.760 -7.587 12.828 1.00 0.00 H new ATOM 0 HE1 MET A 134 6.937 -5.858 13.605 1.00 0.00 H new ATOM 0 HE2 MET A 134 5.540 -4.781 13.365 1.00 0.00 H new ATOM 0 HE3 MET A 134 5.554 -5.930 14.724 1.00 0.00 H new ATOM 904 N CYS A 135 0.576 -4.647 10.234 1.00 0.00 N ATOM 905 CA CYS A 135 0.046 -3.843 9.139 1.00 0.00 C ATOM 906 C CYS A 135 -1.272 -3.184 9.536 1.00 0.00 C ATOM 907 O CYS A 135 -1.579 -2.073 9.103 1.00 0.00 O ATOM 908 CB CYS A 135 -0.158 -4.709 7.895 1.00 0.00 C ATOM 909 SG CYS A 135 -1.180 -6.174 8.176 1.00 0.00 S ATOM 0 H CYS A 135 0.704 -5.634 10.009 1.00 0.00 H new ATOM 0 HA CYS A 135 0.770 -3.060 8.913 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -0.618 -4.103 7.115 1.00 0.00 H new ATOM 0 HB3 CYS A 135 0.816 -5.025 7.521 1.00 0.00 H new ATOM 0 HG CYS A 135 -1.351 -6.345 9.453 1.00 0.00 H new ATOM 915 N THR A 136 -2.048 -3.877 10.363 1.00 0.00 N ATOM 916 CA THR A 136 -3.333 -3.362 10.817 1.00 0.00 C ATOM 917 C THR A 136 -3.158 -2.080 11.623 1.00 0.00 C ATOM 918 O THR A 136 -3.764 -1.054 11.315 1.00 0.00 O ATOM 919 CB THR A 136 -4.082 -4.398 11.677 1.00 0.00 C ATOM 920 OG1 THR A 136 -4.316 -5.588 10.917 1.00 0.00 O ATOM 921 CG2 THR A 136 -5.407 -3.835 12.170 1.00 0.00 C ATOM 0 H THR A 136 -1.808 -4.797 10.732 1.00 0.00 H new ATOM 0 HA THR A 136 -3.921 -3.149 9.924 1.00 0.00 H new ATOM 0 HB THR A 136 -3.463 -4.636 12.542 1.00 0.00 H new ATOM 0 HG1 THR A 136 -3.487 -6.107 10.858 1.00 0.00 H new ATOM 0 HG21 THR A 136 -5.918 -4.584 12.775 1.00 0.00 H new ATOM 0 HG22 THR A 136 -5.223 -2.946 12.773 1.00 0.00 H new ATOM 0 HG23 THR A 136 -6.031 -3.571 11.316 1.00 0.00 H new ATOM 929 N ASP A 137 -2.326 -2.146 12.656 1.00 0.00 N ATOM 930 CA ASP A 137 -2.069 -0.989 13.506 1.00 0.00 C ATOM 931 C ASP A 137 -1.324 0.097 12.735 1.00 0.00 C ATOM 932 O ASP A 137 -1.764 1.246 12.679 1.00 0.00 O ATOM 933 CB ASP A 137 -1.261 -1.403 14.737 1.00 0.00 C ATOM 934 CG ASP A 137 -1.547 -0.525 15.940 1.00 0.00 C ATOM 935 OD1 ASP A 137 -2.685 -0.021 16.049 1.00 0.00 O ATOM 936 OD2 ASP A 137 -0.634 -0.343 16.772 1.00 0.00 O ATOM 0 H ASP A 137 -1.818 -2.988 12.925 1.00 0.00 H new ATOM 0 HA ASP A 137 -3.029 -0.587 13.830 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -1.488 -2.440 14.985 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -0.198 -1.357 14.502 1.00 0.00 H new ATOM 941 N LYS A 138 -0.194 -0.274 12.144 1.00 0.00 N ATOM 942 CA LYS A 138 0.613 0.667 11.376 1.00 0.00 C ATOM 943 C LYS A 138 -0.250 1.440 10.384 1.00 0.00 C ATOM 944 O LYS A 138 -0.222 2.670 10.349 1.00 0.00 O ATOM 945 CB LYS A 138 1.726 -0.073 10.631 1.00 0.00 C ATOM 946 CG LYS A 138 2.533 0.818 9.703 1.00 0.00 C ATOM 947 CD LYS A 138 3.604 1.587 10.458 1.00 0.00 C ATOM 948 CE LYS A 138 4.698 2.082 9.525 1.00 0.00 C ATOM 949 NZ LYS A 138 5.574 3.091 10.183 1.00 0.00 N ATOM 0 H LYS A 138 0.184 -1.220 12.182 1.00 0.00 H new ATOM 0 HA LYS A 138 1.060 1.377 12.072 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.398 -0.529 11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.286 -0.884 10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 138 2.999 0.210 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.867 1.519 9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 138 3.151 2.435 10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 138 4.041 0.947 11.225 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.302 1.237 9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.246 2.519 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 6.307 3.403 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 5.002 3.908 10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 6.026 2.667 11.018 1.00 0.00 H new ATOM 963 N TRP A 139 -1.016 0.712 9.580 1.00 0.00 N ATOM 964 CA TRP A 139 -1.888 1.330 8.588 1.00 0.00 C ATOM 965 C TRP A 139 -2.760 2.406 9.225 1.00 0.00 C ATOM 966 O TRP A 139 -2.772 3.553 8.780 1.00 0.00 O ATOM 967 CB TRP A 139 -2.768 0.271 7.921 1.00 0.00 C ATOM 968 CG TRP A 139 -3.554 0.798 6.759 1.00 0.00 C ATOM 969 CD1 TRP A 139 -4.907 0.975 6.698 1.00 0.00 C ATOM 970 CD2 TRP A 139 -3.035 1.214 5.492 1.00 0.00 C ATOM 971 NE1 TRP A 139 -5.260 1.476 5.468 1.00 0.00 N ATOM 972 CE2 TRP A 139 -4.130 1.632 4.710 1.00 0.00 C ATOM 973 CE3 TRP A 139 -1.753 1.276 4.941 1.00 0.00 C ATOM 974 CZ2 TRP A 139 -3.979 2.104 3.409 1.00 0.00 C ATOM 975 CZ3 TRP A 139 -1.604 1.744 3.649 1.00 0.00 C ATOM 976 CH2 TRP A 139 -2.712 2.153 2.895 1.00 0.00 C ATOM 0 H TRP A 139 -1.051 -0.307 9.596 1.00 0.00 H new ATOM 0 HA TRP A 139 -1.260 1.799 7.831 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.139 -0.552 7.582 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -3.456 -0.137 8.661 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -5.598 0.754 7.498 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -6.210 1.696 5.168 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -0.893 0.964 5.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.832 2.420 2.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -0.617 1.795 3.213 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -2.563 2.514 1.888 1.00 0.00 H new ATOM 987 N ARG A 140 -3.490 2.028 10.270 1.00 0.00 N ATOM 988 CA ARG A 140 -4.366 2.961 10.967 1.00 0.00 C ATOM 989 C ARG A 140 -3.662 4.294 11.205 1.00 0.00 C ATOM 990 O ARG A 140 -4.237 5.359 10.984 1.00 0.00 O ATOM 991 CB ARG A 140 -4.821 2.367 12.302 1.00 0.00 C ATOM 992 CG ARG A 140 -6.106 1.562 12.204 1.00 0.00 C ATOM 993 CD ARG A 140 -6.537 1.034 13.563 1.00 0.00 C ATOM 994 NE ARG A 140 -7.277 -0.221 13.453 1.00 0.00 N ATOM 995 CZ ARG A 140 -8.511 -0.306 12.968 1.00 0.00 C ATOM 996 NH1 ARG A 140 -9.139 0.784 12.550 1.00 0.00 N ATOM 997 NH2 ARG A 140 -9.118 -1.484 12.900 1.00 0.00 N ATOM 0 H ARG A 140 -3.492 1.082 10.652 1.00 0.00 H new ATOM 0 HA ARG A 140 -5.239 3.138 10.339 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -4.030 1.727 12.694 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -4.962 3.175 13.020 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.897 2.186 11.787 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -5.963 0.728 11.517 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -5.657 0.883 14.189 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.158 1.779 14.061 1.00 0.00 H new ATOM 0 HE ARG A 140 -6.821 -1.078 13.766 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.675 1.691 12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -10.086 0.716 12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -8.637 -2.325 13.220 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -10.065 -1.549 12.528 1.00 0.00 H new ATOM 1011 N ASN A 141 -2.414 4.226 11.658 1.00 0.00 N ATOM 1012 CA ASN A 141 -1.632 5.427 11.927 1.00 0.00 C ATOM 1013 C ASN A 141 -1.322 6.175 10.634 1.00 0.00 C ATOM 1014 O ASN A 141 -1.486 7.393 10.555 1.00 0.00 O ATOM 1015 CB ASN A 141 -0.330 5.063 12.644 1.00 0.00 C ATOM 1016 CG ASN A 141 0.331 6.265 13.288 1.00 0.00 C ATOM 1017 OD1 ASN A 141 -0.344 7.189 13.743 1.00 0.00 O ATOM 1018 ND2 ASN A 141 1.658 6.259 13.330 1.00 0.00 N ATOM 0 H ASN A 141 -1.923 3.352 11.846 1.00 0.00 H new ATOM 0 HA ASN A 141 -2.223 6.079 12.570 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -0.536 4.313 13.407 1.00 0.00 H new ATOM 0 HB3 ASN A 141 0.360 4.611 11.931 1.00 0.00 H new ATOM 0 HD21 ASN A 141 2.158 7.041 13.752 1.00 0.00 H new ATOM 0 HD22 ASN A 141 2.177 5.472 12.941 1.00 0.00 H new ATOM 1025 N LEU A 142 -0.874 5.438 9.624 1.00 0.00 N ATOM 1026 CA LEU A 142 -0.542 6.031 8.333 1.00 0.00 C ATOM 1027 C LEU A 142 -1.731 6.798 7.764 1.00 0.00 C ATOM 1028 O LEU A 142 -1.581 7.913 7.262 1.00 0.00 O ATOM 1029 CB LEU A 142 -0.102 4.946 7.349 1.00 0.00 C ATOM 1030 CG LEU A 142 1.055 4.056 7.804 1.00 0.00 C ATOM 1031 CD1 LEU A 142 1.079 2.762 7.005 1.00 0.00 C ATOM 1032 CD2 LEU A 142 2.379 4.793 7.670 1.00 0.00 C ATOM 0 H LEU A 142 -0.732 4.429 9.674 1.00 0.00 H new ATOM 0 HA LEU A 142 0.280 6.731 8.483 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -0.960 4.310 7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.182 5.426 6.413 1.00 0.00 H new ATOM 0 HG LEU A 142 0.906 3.807 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 142 1.909 2.141 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 142 0.141 2.226 7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 142 1.204 2.990 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.191 4.144 7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 142 2.536 5.072 6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 142 2.360 5.691 8.287 1.00 0.00 H new ATOM 1044 N LEU A 143 -2.912 6.196 7.848 1.00 0.00 N ATOM 1045 CA LEU A 143 -4.128 6.823 7.343 1.00 0.00 C ATOM 1046 C LEU A 143 -4.404 8.137 8.067 1.00 0.00 C ATOM 1047 O LEU A 143 -4.611 9.174 7.437 1.00 0.00 O ATOM 1048 CB LEU A 143 -5.319 5.877 7.507 1.00 0.00 C ATOM 1049 CG LEU A 143 -5.178 4.501 6.857 1.00 0.00 C ATOM 1050 CD1 LEU A 143 -6.243 3.551 7.382 1.00 0.00 C ATOM 1051 CD2 LEU A 143 -5.261 4.615 5.342 1.00 0.00 C ATOM 0 H LEU A 143 -3.053 5.274 8.261 1.00 0.00 H new ATOM 0 HA LEU A 143 -3.985 7.036 6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -5.501 5.736 8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -6.203 6.363 7.094 1.00 0.00 H new ATOM 0 HG LEU A 143 -4.200 4.096 7.117 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -6.127 2.576 6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -6.135 3.445 8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.231 3.950 7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -5.159 3.625 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -6.224 5.041 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.460 5.260 4.981 1.00 0.00 H new ATOM 1063 N LYS A 144 -4.403 8.086 9.395 1.00 0.00 N ATOM 1064 CA LYS A 144 -4.650 9.272 10.207 1.00 0.00 C ATOM 1065 C LYS A 144 -3.713 10.408 9.809 1.00 0.00 C ATOM 1066 O LYS A 144 -4.124 11.566 9.736 1.00 0.00 O ATOM 1067 CB LYS A 144 -4.471 8.945 11.691 1.00 0.00 C ATOM 1068 CG LYS A 144 -5.458 7.915 12.211 1.00 0.00 C ATOM 1069 CD LYS A 144 -5.000 7.319 13.531 1.00 0.00 C ATOM 1070 CE LYS A 144 -5.227 8.283 14.686 1.00 0.00 C ATOM 1071 NZ LYS A 144 -4.307 8.011 15.825 1.00 0.00 N ATOM 0 H LYS A 144 -4.234 7.235 9.932 1.00 0.00 H new ATOM 0 HA LYS A 144 -5.677 9.594 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -3.457 8.579 11.854 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -4.576 9.862 12.271 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -6.435 8.380 12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -5.578 7.121 11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.539 6.391 13.719 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -3.942 7.066 13.469 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.082 9.306 14.339 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.259 8.205 15.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -4.493 8.689 16.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.462 7.043 16.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.322 8.110 15.507 1.00 0.00 H new ATOM 1085 N GLU A 145 -2.454 10.069 9.551 1.00 0.00 N ATOM 1086 CA GLU A 145 -1.461 11.062 9.160 1.00 0.00 C ATOM 1087 C GLU A 145 -1.749 11.597 7.760 1.00 0.00 C ATOM 1088 O GLU A 145 -1.715 12.805 7.526 1.00 0.00 O ATOM 1089 CB GLU A 145 -0.056 10.456 9.207 1.00 0.00 C ATOM 1090 CG GLU A 145 0.423 10.140 10.614 1.00 0.00 C ATOM 1091 CD GLU A 145 0.558 11.380 11.477 1.00 0.00 C ATOM 1092 OE1 GLU A 145 1.319 12.292 11.091 1.00 0.00 O ATOM 1093 OE2 GLU A 145 -0.098 11.438 12.538 1.00 0.00 O ATOM 0 H GLU A 145 -2.098 9.115 9.606 1.00 0.00 H new ATOM 0 HA GLU A 145 -1.516 11.891 9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -0.044 9.542 8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.645 11.148 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.276 9.449 11.085 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.386 9.633 10.560 1.00 0.00 H new ATOM 1100 N PHE A 146 -2.031 10.689 6.832 1.00 0.00 N ATOM 1101 CA PHE A 146 -2.324 11.068 5.455 1.00 0.00 C ATOM 1102 C PHE A 146 -3.493 12.048 5.397 1.00 0.00 C ATOM 1103 O PHE A 146 -3.437 13.060 4.698 1.00 0.00 O ATOM 1104 CB PHE A 146 -2.642 9.828 4.618 1.00 0.00 C ATOM 1105 CG PHE A 146 -1.428 9.016 4.265 1.00 0.00 C ATOM 1106 CD1 PHE A 146 -0.333 9.609 3.659 1.00 0.00 C ATOM 1107 CD2 PHE A 146 -1.383 7.658 4.540 1.00 0.00 C ATOM 1108 CE1 PHE A 146 0.785 8.865 3.334 1.00 0.00 C ATOM 1109 CE2 PHE A 146 -0.267 6.909 4.217 1.00 0.00 C ATOM 1110 CZ PHE A 146 0.817 7.513 3.612 1.00 0.00 C ATOM 0 H PHE A 146 -2.063 9.685 7.009 1.00 0.00 H new ATOM 0 HA PHE A 146 -1.441 11.558 5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.343 9.199 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.142 10.137 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -0.353 10.666 3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -2.229 7.180 5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 146 1.633 9.340 2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.243 5.852 4.438 1.00 0.00 H new ATOM 0 HZ PHE A 146 1.689 6.929 3.357 1.00 0.00 H new