USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 470 THR OG1 : rot -114:sc= 0.476 USER MOD Set 1.2: A 471 LYS NZ :NH3+ -125:sc= 0.207 (180deg=-1.81!) USER MOD Single : A 455 THR OG1 : rot 180:sc= -0.535 USER MOD Single : A 462 TYR OH : rot 92:sc= 0.759 USER MOD Single : A 464 THR OG1 : rot -69:sc= 0.133 USER MOD Single : A 466 LYS NZ :NH3+ -164:sc=-0.00292 (180deg=-0.0447) USER MOD Single : A 468 MET CE :methyl -135:sc= -7.49! (180deg=-9.84!) USER MOD Single : A 469 THR OG1 : rot -170:sc= 0.621 USER MOD Single : A 475 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.16) USER MOD Single : A 476 LYS NZ :NH3+ 158:sc= -1.93! (180deg=-3.09!) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD Single : A 488 GLN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 489 THR OG1 : rot 63:sc= 0.256 USER MOD Single : A 491 ASN : amide:sc=-0.000112 X(o=-0.00011,f=0) USER MOD Single : A 495 GLN :FLIP amide:sc= -3.07 F(o=-4!,f=-3.1) USER MOD Single : A 498 LYS NZ :NH3+ 169:sc= -2.53! (180deg=-2.99!) USER MOD Single : A 501 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.8!) USER MOD Single : A 505 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 506 MET CE :methyl 164:sc= -0.684 (180deg=-1.39) USER MOD Single : A 508 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 511 MET CE :methyl -147:sc= -4.21 (180deg=-6!) USER MOD Single : A 512 HIS : no HE2:sc= -12.5! C(o=-12!,f=-14!) USER MOD Single : A 514 SER OG : rot -114:sc= -5.86! USER MOD Single : A 516 LYS NZ :NH3+ 175:sc= -0.17 (180deg=-0.21) USER MOD Single : B 589 HIS :FLIP no HE2:sc= -0.883 F(o=-2.4,f=-0.88) USER MOD Single : B 592 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP B 587 1.258 -2.109 12.865 1.00 0.00 N ATOM 75 CA ASP B 587 2.182 -1.149 12.283 1.00 0.00 C ATOM 76 C ASP B 587 3.614 -1.676 12.286 1.00 0.00 C ATOM 77 O ASP B 587 4.452 -1.229 11.503 1.00 0.00 O ATOM 78 CB ASP B 587 2.107 0.174 13.046 1.00 0.00 C ATOM 79 CG ASP B 587 2.007 1.371 12.123 1.00 0.00 C ATOM 80 OD1 ASP B 587 2.925 1.563 11.298 1.00 0.00 O ATOM 81 OD2 ASP B 587 1.010 2.117 12.223 1.00 0.00 O ATOM 0 HA ASP B 587 1.890 -0.987 11.245 1.00 0.00 H new ATOM 0 HB2 ASP B 587 1.243 0.158 13.710 1.00 0.00 H new ATOM 0 HB3 ASP B 587 2.991 0.277 13.675 1.00 0.00 H new ATOM 86 N ASP B 588 3.891 -2.622 13.177 1.00 0.00 N ATOM 87 CA ASP B 588 5.224 -3.204 13.288 1.00 0.00 C ATOM 88 C ASP B 588 5.719 -3.727 11.948 1.00 0.00 C ATOM 89 O ASP B 588 6.792 -3.352 11.477 1.00 0.00 O ATOM 90 CB ASP B 588 5.219 -4.324 14.313 1.00 0.00 C ATOM 91 CG ASP B 588 6.600 -4.602 14.877 1.00 0.00 C ATOM 92 OD1 ASP B 588 7.392 -5.289 14.199 1.00 0.00 O ATOM 93 OD2 ASP B 588 6.888 -4.132 15.999 1.00 0.00 O ATOM 0 H ASP B 588 3.209 -3.003 13.834 1.00 0.00 H new ATOM 0 HA ASP B 588 5.906 -2.418 13.613 1.00 0.00 H new ATOM 0 HB2 ASP B 588 4.543 -4.064 15.128 1.00 0.00 H new ATOM 0 HB3 ASP B 588 4.829 -5.232 13.853 1.00 0.00 H new ATOM 98 N HIS B 589 4.928 -4.596 11.345 1.00 0.00 N ATOM 99 CA HIS B 589 5.267 -5.184 10.062 1.00 0.00 C ATOM 100 C HIS B 589 4.951 -4.228 8.915 1.00 0.00 C ATOM 101 O HIS B 589 5.506 -4.350 7.823 1.00 0.00 O ATOM 102 CB HIS B 589 4.513 -6.499 9.872 1.00 0.00 C ATOM 103 CG HIS B 589 3.082 -6.451 10.307 1.00 0.00 C ATOM 104 ND1 HIS B 589 2.104 -5.552 10.044 1.00 0.00 N flip ATOM 105 CD2 HIS B 589 2.507 -7.414 11.110 1.00 0.00 C flip ATOM 106 CE1 HIS B 589 0.969 -5.984 10.683 1.00 0.00 C flip ATOM 107 NE2 HIS B 589 1.238 -7.109 11.319 1.00 0.00 N flip ATOM 0 H HIS B 589 4.037 -4.913 11.728 1.00 0.00 H new ATOM 0 HA HIS B 589 6.339 -5.380 10.053 1.00 0.00 H new ATOM 0 HB2 HIS B 589 4.552 -6.779 8.819 1.00 0.00 H new ATOM 0 HB3 HIS B 589 5.025 -7.283 10.430 1.00 0.00 H new ATOM 0 HD1 HIS B 589 2.194 -4.710 9.476 1.00 0.00 H new ATOM 0 HD2 HIS B 589 3.014 -8.281 11.506 1.00 0.00 H new ATOM 0 HE1 HIS B 589 0.011 -5.485 10.668 1.00 0.00 H new ATOM 116 N LEU B 590 4.055 -3.279 9.169 1.00 0.00 N ATOM 117 CA LEU B 590 3.663 -2.302 8.156 1.00 0.00 C ATOM 118 C LEU B 590 4.882 -1.682 7.484 1.00 0.00 C ATOM 119 O LEU B 590 4.824 -1.273 6.327 1.00 0.00 O ATOM 120 CB LEU B 590 2.805 -1.198 8.775 1.00 0.00 C ATOM 121 CG LEU B 590 2.451 -0.057 7.819 1.00 0.00 C ATOM 122 CD1 LEU B 590 1.467 -0.535 6.763 1.00 0.00 C ATOM 123 CD2 LEU B 590 1.894 1.134 8.584 1.00 0.00 C ATOM 0 H LEU B 590 3.586 -3.165 10.068 1.00 0.00 H new ATOM 0 HA LEU B 590 3.081 -2.830 7.401 1.00 0.00 H new ATOM 0 HB2 LEU B 590 1.882 -1.640 9.150 1.00 0.00 H new ATOM 0 HB3 LEU B 590 3.333 -0.784 9.634 1.00 0.00 H new ATOM 0 HG LEU B 590 3.362 0.266 7.314 1.00 0.00 H new ATOM 0 HD11 LEU B 590 1.226 0.289 6.091 1.00 0.00 H new ATOM 0 HD12 LEU B 590 1.913 -1.350 6.193 1.00 0.00 H new ATOM 0 HD13 LEU B 590 0.556 -0.887 7.247 1.00 0.00 H new ATOM 0 HD21 LEU B 590 1.649 1.933 7.885 1.00 0.00 H new ATOM 0 HD22 LEU B 590 0.994 0.833 9.121 1.00 0.00 H new ATOM 0 HD23 LEU B 590 2.639 1.490 9.296 1.00 0.00 H new ATOM 135 N ILE B 591 5.979 -1.597 8.218 1.00 0.00 N ATOM 136 CA ILE B 591 7.198 -1.020 7.687 1.00 0.00 C ATOM 137 C ILE B 591 8.022 -2.066 6.928 1.00 0.00 C ATOM 138 O ILE B 591 8.757 -1.735 5.999 1.00 0.00 O ATOM 139 CB ILE B 591 8.051 -0.386 8.807 1.00 0.00 C ATOM 140 CG1 ILE B 591 7.311 0.809 9.412 1.00 0.00 C ATOM 141 CG2 ILE B 591 9.415 0.044 8.277 1.00 0.00 C ATOM 142 CD1 ILE B 591 8.038 1.441 10.579 1.00 0.00 C ATOM 0 H ILE B 591 6.048 -1.921 9.183 1.00 0.00 H new ATOM 0 HA ILE B 591 6.906 -0.236 6.989 1.00 0.00 H new ATOM 0 HB ILE B 591 8.213 -1.134 9.583 1.00 0.00 H new ATOM 0 HG12 ILE B 591 7.159 1.562 8.638 1.00 0.00 H new ATOM 0 HG13 ILE B 591 6.323 0.486 9.741 1.00 0.00 H new ATOM 0 HG21 ILE B 591 9.996 0.487 9.085 1.00 0.00 H new ATOM 0 HG22 ILE B 591 9.943 -0.825 7.885 1.00 0.00 H new ATOM 0 HG23 ILE B 591 9.282 0.777 7.482 1.00 0.00 H new ATOM 0 HD11 ILE B 591 7.456 2.281 10.958 1.00 0.00 H new ATOM 0 HD12 ILE B 591 8.167 0.703 11.370 1.00 0.00 H new ATOM 0 HD13 ILE B 591 9.015 1.795 10.250 1.00 0.00 H new ATOM 154 N TYR B 592 7.905 -3.326 7.345 1.00 0.00 N ATOM 155 CA TYR B 592 8.649 -4.422 6.722 1.00 0.00 C ATOM 156 C TYR B 592 8.294 -4.594 5.252 1.00 0.00 C ATOM 157 O TYR B 592 9.175 -4.637 4.396 1.00 0.00 O ATOM 158 CB TYR B 592 8.415 -5.729 7.502 1.00 0.00 C ATOM 159 CG TYR B 592 8.269 -6.957 6.630 1.00 0.00 C ATOM 160 CD1 TYR B 592 7.074 -7.222 5.980 1.00 0.00 C ATOM 161 CD2 TYR B 592 9.327 -7.837 6.445 1.00 0.00 C ATOM 162 CE1 TYR B 592 6.932 -8.325 5.171 1.00 0.00 C ATOM 163 CE2 TYR B 592 9.193 -8.950 5.637 1.00 0.00 C ATOM 164 CZ TYR B 592 7.992 -9.190 5.001 1.00 0.00 C ATOM 165 OH TYR B 592 7.853 -10.295 4.193 1.00 0.00 O ATOM 0 H TYR B 592 7.300 -3.615 8.114 1.00 0.00 H new ATOM 0 HA TYR B 592 9.709 -4.169 6.762 1.00 0.00 H new ATOM 0 HB2 TYR B 592 9.247 -5.882 8.189 1.00 0.00 H new ATOM 0 HB3 TYR B 592 7.516 -5.620 8.109 1.00 0.00 H new ATOM 0 HD1 TYR B 592 6.239 -6.550 6.111 1.00 0.00 H new ATOM 0 HD2 TYR B 592 10.268 -7.649 6.940 1.00 0.00 H new ATOM 0 HE1 TYR B 592 5.994 -8.513 4.671 1.00 0.00 H new ATOM 0 HE2 TYR B 592 10.023 -9.628 5.504 1.00 0.00 H new ATOM 0 HH TYR B 592 8.693 -10.799 4.181 1.00 0.00 H new ATOM 175 N LEU B 593 7.015 -4.702 4.962 1.00 0.00 N ATOM 176 CA LEU B 593 6.579 -4.878 3.585 1.00 0.00 C ATOM 177 C LEU B 593 6.883 -3.631 2.766 1.00 0.00 C ATOM 178 O LEU B 593 6.894 -3.669 1.536 1.00 0.00 O ATOM 179 CB LEU B 593 5.089 -5.248 3.507 1.00 0.00 C ATOM 180 CG LEU B 593 4.093 -4.086 3.530 1.00 0.00 C ATOM 181 CD1 LEU B 593 4.305 -3.230 4.759 1.00 0.00 C ATOM 182 CD2 LEU B 593 4.192 -3.252 2.262 1.00 0.00 C ATOM 0 H LEU B 593 6.263 -4.672 5.650 1.00 0.00 H new ATOM 0 HA LEU B 593 7.139 -5.711 3.159 1.00 0.00 H new ATOM 0 HB2 LEU B 593 4.927 -5.818 2.592 1.00 0.00 H new ATOM 0 HB3 LEU B 593 4.858 -5.911 4.341 1.00 0.00 H new ATOM 0 HG LEU B 593 3.087 -4.503 3.573 1.00 0.00 H new ATOM 0 HD11 LEU B 593 3.588 -2.409 4.759 1.00 0.00 H new ATOM 0 HD12 LEU B 593 4.162 -3.836 5.654 1.00 0.00 H new ATOM 0 HD13 LEU B 593 5.318 -2.827 4.752 1.00 0.00 H new ATOM 0 HD21 LEU B 593 3.473 -2.434 2.307 1.00 0.00 H new ATOM 0 HD22 LEU B 593 5.199 -2.845 2.172 1.00 0.00 H new ATOM 0 HD23 LEU B 593 3.975 -3.878 1.397 1.00 0.00 H new ATOM 194 N GLU B 594 7.118 -2.521 3.449 1.00 0.00 N ATOM 195 CA GLU B 594 7.411 -1.276 2.767 1.00 0.00 C ATOM 196 C GLU B 594 8.697 -1.390 1.949 1.00 0.00 C ATOM 197 O GLU B 594 8.846 -0.733 0.919 1.00 0.00 O ATOM 198 CB GLU B 594 7.509 -0.120 3.777 1.00 0.00 C ATOM 199 CG GLU B 594 8.929 0.354 4.061 1.00 0.00 C ATOM 200 CD GLU B 594 8.987 1.393 5.163 1.00 0.00 C ATOM 201 OE1 GLU B 594 8.056 1.428 5.995 1.00 0.00 O ATOM 202 OE2 GLU B 594 9.963 2.172 5.194 1.00 0.00 O ATOM 0 H GLU B 594 7.111 -2.459 4.467 1.00 0.00 H new ATOM 0 HA GLU B 594 6.593 -1.064 2.078 1.00 0.00 H new ATOM 0 HB2 GLU B 594 6.927 0.722 3.403 1.00 0.00 H new ATOM 0 HB3 GLU B 594 7.050 -0.434 4.715 1.00 0.00 H new ATOM 0 HG2 GLU B 594 9.545 -0.501 4.340 1.00 0.00 H new ATOM 0 HG3 GLU B 594 9.358 0.772 3.150 1.00 0.00 H new ATOM 209 N GLU B 595 9.625 -2.216 2.423 1.00 0.00 N ATOM 210 CA GLU B 595 10.906 -2.398 1.744 1.00 0.00 C ATOM 211 C GLU B 595 10.816 -3.395 0.595 1.00 0.00 C ATOM 212 O GLU B 595 11.354 -3.153 -0.486 1.00 0.00 O ATOM 213 CB GLU B 595 11.997 -2.817 2.736 1.00 0.00 C ATOM 214 CG GLU B 595 11.664 -4.057 3.549 1.00 0.00 C ATOM 215 CD GLU B 595 12.892 -4.880 3.885 1.00 0.00 C ATOM 216 OE1 GLU B 595 13.726 -5.098 2.982 1.00 0.00 O ATOM 217 OE2 GLU B 595 13.020 -5.307 5.052 1.00 0.00 O ATOM 0 H GLU B 595 9.515 -2.769 3.273 1.00 0.00 H new ATOM 0 HA GLU B 595 11.175 -1.433 1.314 1.00 0.00 H new ATOM 0 HB2 GLU B 595 12.921 -2.995 2.187 1.00 0.00 H new ATOM 0 HB3 GLU B 595 12.187 -1.989 3.420 1.00 0.00 H new ATOM 0 HG2 GLU B 595 11.167 -3.759 4.472 1.00 0.00 H new ATOM 0 HG3 GLU B 595 10.959 -4.674 2.992 1.00 0.00 H new ATOM 224 N ILE B 596 10.137 -4.507 0.822 1.00 0.00 N ATOM 225 CA ILE B 596 9.990 -5.528 -0.222 1.00 0.00 C ATOM 226 C ILE B 596 9.428 -4.929 -1.500 1.00 0.00 C ATOM 227 O ILE B 596 9.662 -5.437 -2.597 1.00 0.00 O ATOM 228 CB ILE B 596 9.099 -6.711 0.215 1.00 0.00 C ATOM 229 CG1 ILE B 596 7.830 -6.216 0.904 1.00 0.00 C ATOM 230 CG2 ILE B 596 9.868 -7.645 1.132 1.00 0.00 C ATOM 231 CD1 ILE B 596 6.687 -5.953 -0.048 1.00 0.00 C ATOM 0 H ILE B 596 9.681 -4.732 1.706 1.00 0.00 H new ATOM 0 HA ILE B 596 10.994 -5.912 -0.404 1.00 0.00 H new ATOM 0 HB ILE B 596 8.807 -7.261 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE B 596 7.515 -6.955 1.641 1.00 0.00 H new ATOM 0 HG13 ILE B 596 8.056 -5.299 1.448 1.00 0.00 H new ATOM 0 HG21 ILE B 596 9.225 -8.473 1.430 1.00 0.00 H new ATOM 0 HG22 ILE B 596 10.740 -8.034 0.607 1.00 0.00 H new ATOM 0 HG23 ILE B 596 10.192 -7.100 2.018 1.00 0.00 H new ATOM 0 HD11 ILE B 596 5.820 -5.604 0.512 1.00 0.00 H new ATOM 0 HD12 ILE B 596 6.983 -5.192 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE B 596 6.433 -6.873 -0.574 1.00 0.00 H new ATOM 243 N LEU B 597 8.685 -3.848 -1.348 1.00 0.00 N ATOM 244 CA LEU B 597 8.082 -3.167 -2.477 1.00 0.00 C ATOM 245 C LEU B 597 9.110 -2.446 -3.320 1.00 0.00 C ATOM 246 O LEU B 597 9.546 -2.935 -4.363 1.00 0.00 O ATOM 247 CB LEU B 597 7.056 -2.154 -1.984 1.00 0.00 C ATOM 248 CG LEU B 597 6.672 -1.081 -3.009 1.00 0.00 C ATOM 249 CD1 LEU B 597 6.084 -1.716 -4.256 1.00 0.00 C ATOM 250 CD2 LEU B 597 5.702 -0.089 -2.398 1.00 0.00 C ATOM 0 H LEU B 597 8.484 -3.420 -0.444 1.00 0.00 H new ATOM 0 HA LEU B 597 7.604 -3.928 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU B 597 6.155 -2.688 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU B 597 7.449 -1.663 -1.094 1.00 0.00 H new ATOM 0 HG LEU B 597 7.574 -0.542 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU B 597 5.818 -0.937 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU B 597 6.819 -2.385 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU B 597 5.192 -2.283 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU B 597 5.439 0.666 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU B 597 4.801 -0.612 -2.077 1.00 0.00 H new ATOM 0 HD23 LEU B 597 6.168 0.393 -1.538 1.00 0.00 H new ATOM 262 N VAL B 598 9.453 -1.259 -2.869 1.00 0.00 N ATOM 263 CA VAL B 598 10.382 -0.416 -3.571 1.00 0.00 C ATOM 264 C VAL B 598 11.305 0.290 -2.596 1.00 0.00 C ATOM 265 O VAL B 598 11.771 1.401 -2.849 1.00 0.00 O ATOM 266 CB VAL B 598 9.629 0.632 -4.412 1.00 0.00 C ATOM 267 CG1 VAL B 598 8.714 -0.035 -5.433 1.00 0.00 C ATOM 268 CG2 VAL B 598 8.830 1.556 -3.507 1.00 0.00 C ATOM 0 H VAL B 598 9.093 -0.856 -2.004 1.00 0.00 H new ATOM 0 HA VAL B 598 10.976 -1.047 -4.231 1.00 0.00 H new ATOM 0 HB VAL B 598 10.366 1.222 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL B 598 8.196 0.730 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL B 598 9.308 -0.656 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL B 598 7.983 -0.656 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL B 598 8.302 2.292 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL B 598 8.108 0.972 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL B 598 9.506 2.068 -2.822 1.00 0.00 H new ATOM 367 N VAL A 454 -8.313 -5.916 -1.865 1.00 0.00 N ATOM 368 CA VAL A 454 -7.058 -5.372 -2.370 1.00 0.00 C ATOM 369 C VAL A 454 -6.542 -6.204 -3.527 1.00 0.00 C ATOM 370 O VAL A 454 -6.238 -7.387 -3.368 1.00 0.00 O ATOM 371 CB VAL A 454 -5.993 -5.309 -1.259 1.00 0.00 C ATOM 372 CG1 VAL A 454 -4.617 -4.953 -1.817 1.00 0.00 C ATOM 373 CG2 VAL A 454 -6.428 -4.310 -0.209 1.00 0.00 C ATOM 0 HA VAL A 454 -7.255 -4.359 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 454 -5.903 -6.296 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 454 -3.892 -4.918 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 454 -4.312 -5.707 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 454 -4.663 -3.979 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 454 -5.678 -4.261 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 454 -6.538 -3.327 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 454 -7.382 -4.621 0.216 1.00 0.00 H new ATOM 383 N THR A 455 -6.457 -5.586 -4.694 1.00 0.00 N ATOM 384 CA THR A 455 -5.993 -6.287 -5.872 1.00 0.00 C ATOM 385 C THR A 455 -4.934 -5.514 -6.626 1.00 0.00 C ATOM 386 O THR A 455 -4.760 -4.311 -6.442 1.00 0.00 O ATOM 387 CB THR A 455 -7.165 -6.584 -6.789 1.00 0.00 C ATOM 388 OG1 THR A 455 -7.933 -5.415 -7.021 1.00 0.00 O ATOM 389 CG2 THR A 455 -8.078 -7.631 -6.203 1.00 0.00 C ATOM 0 H THR A 455 -6.702 -4.608 -4.847 1.00 0.00 H new ATOM 0 HA THR A 455 -5.536 -7.218 -5.536 1.00 0.00 H new ATOM 0 HB THR A 455 -6.742 -6.951 -7.724 1.00 0.00 H new ATOM 0 HG1 THR A 455 -8.682 -5.628 -7.616 1.00 0.00 H new ATOM 0 HG21 THR A 455 -8.905 -7.817 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 455 -7.520 -8.555 -6.048 1.00 0.00 H new ATOM 0 HG23 THR A 455 -8.469 -7.279 -5.248 1.00 0.00 H new ATOM 397 N GLU A 456 -4.241 -6.233 -7.487 1.00 0.00 N ATOM 398 CA GLU A 456 -3.195 -5.668 -8.307 1.00 0.00 C ATOM 399 C GLU A 456 -3.733 -4.541 -9.173 1.00 0.00 C ATOM 400 O GLU A 456 -3.188 -3.440 -9.194 1.00 0.00 O ATOM 401 CB GLU A 456 -2.624 -6.764 -9.190 1.00 0.00 C ATOM 402 CG GLU A 456 -1.467 -7.514 -8.551 1.00 0.00 C ATOM 403 CD GLU A 456 -1.039 -8.719 -9.364 1.00 0.00 C ATOM 404 OE1 GLU A 456 -1.009 -8.616 -10.608 1.00 0.00 O ATOM 405 OE2 GLU A 456 -0.736 -9.768 -8.755 1.00 0.00 O ATOM 0 H GLU A 456 -4.391 -7.231 -7.636 1.00 0.00 H new ATOM 0 HA GLU A 456 -2.418 -5.257 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 456 -3.416 -7.472 -9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 456 -2.288 -6.325 -10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 456 -0.620 -6.838 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 456 -1.756 -7.838 -7.551 1.00 0.00 H new ATOM 412 N ASP A 457 -4.797 -4.849 -9.897 1.00 0.00 N ATOM 413 CA ASP A 457 -5.428 -3.891 -10.801 1.00 0.00 C ATOM 414 C ASP A 457 -6.038 -2.701 -10.062 1.00 0.00 C ATOM 415 O ASP A 457 -6.162 -1.611 -10.623 1.00 0.00 O ATOM 416 CB ASP A 457 -6.504 -4.588 -11.629 1.00 0.00 C ATOM 417 CG ASP A 457 -6.210 -4.548 -13.116 1.00 0.00 C ATOM 418 OD1 ASP A 457 -6.584 -3.551 -13.768 1.00 0.00 O ATOM 419 OD2 ASP A 457 -5.606 -5.514 -13.627 1.00 0.00 O ATOM 0 H ASP A 457 -5.248 -5.764 -9.878 1.00 0.00 H new ATOM 0 HA ASP A 457 -4.646 -3.503 -11.453 1.00 0.00 H new ATOM 0 HB2 ASP A 457 -6.590 -5.626 -11.307 1.00 0.00 H new ATOM 0 HB3 ASP A 457 -7.467 -4.114 -11.440 1.00 0.00 H new ATOM 424 N ALA A 458 -6.431 -2.913 -8.817 1.00 0.00 N ATOM 425 CA ALA A 458 -7.043 -1.852 -8.022 1.00 0.00 C ATOM 426 C ALA A 458 -6.034 -0.780 -7.648 1.00 0.00 C ATOM 427 O ALA A 458 -6.215 0.394 -7.970 1.00 0.00 O ATOM 428 CB ALA A 458 -7.684 -2.421 -6.765 1.00 0.00 C ATOM 0 H ALA A 458 -6.339 -3.806 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 458 -7.815 -1.391 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -8.134 -1.613 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -8.454 -3.140 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -6.924 -2.918 -6.162 1.00 0.00 H new ATOM 434 N VAL A 459 -4.969 -1.180 -6.962 1.00 0.00 N ATOM 435 CA VAL A 459 -3.946 -0.232 -6.548 1.00 0.00 C ATOM 436 C VAL A 459 -3.529 0.659 -7.710 1.00 0.00 C ATOM 437 O VAL A 459 -3.203 1.827 -7.524 1.00 0.00 O ATOM 438 CB VAL A 459 -2.714 -0.941 -5.958 1.00 0.00 C ATOM 439 CG1 VAL A 459 -1.777 0.071 -5.319 1.00 0.00 C ATOM 440 CG2 VAL A 459 -3.141 -1.986 -4.941 1.00 0.00 C ATOM 0 H VAL A 459 -4.794 -2.146 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 459 -4.383 0.389 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 459 -2.182 -1.443 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 459 -0.910 -0.446 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 459 -1.448 0.788 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 459 -2.300 0.597 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 459 -2.258 -2.479 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 459 -3.693 -1.504 -4.134 1.00 0.00 H new ATOM 0 HG23 VAL A 459 -3.778 -2.726 -5.425 1.00 0.00 H new ATOM 450 N ARG A 460 -3.581 0.107 -8.917 1.00 0.00 N ATOM 451 CA ARG A 460 -3.243 0.867 -10.117 1.00 0.00 C ATOM 452 C ARG A 460 -4.087 2.133 -10.174 1.00 0.00 C ATOM 453 O ARG A 460 -3.572 3.229 -10.392 1.00 0.00 O ATOM 454 CB ARG A 460 -3.489 0.036 -11.383 1.00 0.00 C ATOM 455 CG ARG A 460 -3.022 -1.406 -11.281 1.00 0.00 C ATOM 456 CD ARG A 460 -1.562 -1.495 -10.867 1.00 0.00 C ATOM 457 NE ARG A 460 -0.724 -2.039 -11.935 1.00 0.00 N ATOM 458 CZ ARG A 460 -0.636 -3.336 -12.222 1.00 0.00 C ATOM 459 NH1 ARG A 460 -1.331 -4.224 -11.524 1.00 0.00 N ATOM 460 NH2 ARG A 460 0.149 -3.744 -13.209 1.00 0.00 N ATOM 0 H ARG A 460 -3.853 -0.861 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 460 -2.185 1.125 -10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 460 -4.555 0.046 -11.609 1.00 0.00 H new ATOM 0 HB3 ARG A 460 -2.981 0.512 -12.221 1.00 0.00 H new ATOM 0 HG2 ARG A 460 -3.639 -1.938 -10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 460 -3.159 -1.902 -12.242 1.00 0.00 H new ATOM 0 HD2 ARG A 460 -1.202 -0.504 -10.592 1.00 0.00 H new ATOM 0 HD3 ARG A 460 -1.474 -2.123 -9.981 1.00 0.00 H new ATOM 0 HE ARG A 460 -0.174 -1.386 -12.493 1.00 0.00 H new ATOM 0 HH11 ARG A 460 -1.936 -3.914 -10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 460 -1.260 -5.217 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 460 0.685 -3.064 -13.748 1.00 0.00 H new ATOM 0 HH22 ARG A 460 0.217 -4.738 -13.429 1.00 0.00 H new ATOM 474 N ARG A 461 -5.391 1.968 -9.961 1.00 0.00 N ATOM 475 CA ARG A 461 -6.320 3.089 -9.973 1.00 0.00 C ATOM 476 C ARG A 461 -5.992 4.068 -8.847 1.00 0.00 C ATOM 477 O ARG A 461 -6.246 5.267 -8.961 1.00 0.00 O ATOM 478 CB ARG A 461 -7.767 2.582 -9.880 1.00 0.00 C ATOM 479 CG ARG A 461 -8.211 2.230 -8.476 1.00 0.00 C ATOM 480 CD ARG A 461 -9.640 2.668 -8.214 1.00 0.00 C ATOM 481 NE ARG A 461 -9.739 3.563 -7.064 1.00 0.00 N ATOM 482 CZ ARG A 461 -10.863 3.772 -6.381 1.00 0.00 C ATOM 483 NH1 ARG A 461 -11.986 3.156 -6.731 1.00 0.00 N ATOM 484 NH2 ARG A 461 -10.865 4.601 -5.346 1.00 0.00 N ATOM 0 H ARG A 461 -5.826 1.064 -9.778 1.00 0.00 H new ATOM 0 HA ARG A 461 -6.216 3.626 -10.916 1.00 0.00 H new ATOM 0 HB2 ARG A 461 -8.434 3.346 -10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 461 -7.874 1.702 -10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 461 -8.127 1.154 -8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 461 -7.546 2.705 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 461 -10.033 3.170 -9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 461 -10.262 1.790 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 461 -8.898 4.057 -6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 461 -11.991 2.518 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 461 -12.844 3.320 -6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 461 -10.006 5.078 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 461 -11.726 4.761 -4.823 1.00 0.00 H new ATOM 498 N TYR A 462 -5.403 3.551 -7.770 1.00 0.00 N ATOM 499 CA TYR A 462 -5.015 4.388 -6.640 1.00 0.00 C ATOM 500 C TYR A 462 -3.865 5.300 -7.049 1.00 0.00 C ATOM 501 O TYR A 462 -3.836 6.482 -6.711 1.00 0.00 O ATOM 502 CB TYR A 462 -4.564 3.526 -5.452 1.00 0.00 C ATOM 503 CG TYR A 462 -5.685 2.896 -4.651 1.00 0.00 C ATOM 504 CD1 TYR A 462 -7.000 2.914 -5.099 1.00 0.00 C ATOM 505 CD2 TYR A 462 -5.417 2.280 -3.434 1.00 0.00 C ATOM 506 CE1 TYR A 462 -8.014 2.338 -4.358 1.00 0.00 C ATOM 507 CE2 TYR A 462 -6.424 1.701 -2.689 1.00 0.00 C ATOM 508 CZ TYR A 462 -7.722 1.734 -3.154 1.00 0.00 C ATOM 509 OH TYR A 462 -8.730 1.161 -2.414 1.00 0.00 O ATOM 0 H TYR A 462 -5.185 2.561 -7.658 1.00 0.00 H new ATOM 0 HA TYR A 462 -5.880 4.981 -6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 462 -3.915 2.733 -5.824 1.00 0.00 H new ATOM 0 HB3 TYR A 462 -3.963 4.143 -4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 462 -7.233 3.386 -6.042 1.00 0.00 H new ATOM 0 HD2 TYR A 462 -4.402 2.254 -3.065 1.00 0.00 H new ATOM 0 HE1 TYR A 462 -9.031 2.361 -4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 462 -6.197 1.225 -1.747 1.00 0.00 H new ATOM 0 HH TYR A 462 -8.810 0.213 -2.649 1.00 0.00 H new ATOM 519 N LEU A 463 -2.913 4.718 -7.772 1.00 0.00 N ATOM 520 CA LEU A 463 -1.733 5.424 -8.234 1.00 0.00 C ATOM 521 C LEU A 463 -2.065 6.438 -9.322 1.00 0.00 C ATOM 522 O LEU A 463 -1.823 7.634 -9.161 1.00 0.00 O ATOM 523 CB LEU A 463 -0.726 4.404 -8.759 1.00 0.00 C ATOM 524 CG LEU A 463 -0.612 3.117 -7.933 1.00 0.00 C ATOM 525 CD1 LEU A 463 0.689 2.393 -8.235 1.00 0.00 C ATOM 526 CD2 LEU A 463 -0.726 3.419 -6.444 1.00 0.00 C ATOM 0 H LEU A 463 -2.943 3.738 -8.053 1.00 0.00 H new ATOM 0 HA LEU A 463 -1.312 5.979 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 463 -1.000 4.139 -9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 463 0.255 4.876 -8.805 1.00 0.00 H new ATOM 0 HG LEU A 463 -1.437 2.462 -8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 463 0.747 1.484 -7.637 1.00 0.00 H new ATOM 0 HD12 LEU A 463 0.724 2.134 -9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 463 1.531 3.041 -7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 463 -0.642 2.492 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 463 0.073 4.098 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 463 -1.691 3.883 -6.240 1.00 0.00 H new ATOM 538 N THR A 464 -2.612 5.955 -10.433 1.00 0.00 N ATOM 539 CA THR A 464 -2.966 6.822 -11.549 1.00 0.00 C ATOM 540 C THR A 464 -3.775 8.024 -11.074 1.00 0.00 C ATOM 541 O THR A 464 -3.797 9.068 -11.728 1.00 0.00 O ATOM 542 CB THR A 464 -3.757 6.039 -12.599 1.00 0.00 C ATOM 543 OG1 THR A 464 -4.293 4.852 -12.044 1.00 0.00 O ATOM 544 CG2 THR A 464 -2.928 5.649 -13.803 1.00 0.00 C ATOM 0 H THR A 464 -2.819 4.968 -10.584 1.00 0.00 H new ATOM 0 HA THR A 464 -2.043 7.188 -11.998 1.00 0.00 H new ATOM 0 HB THR A 464 -4.549 6.713 -12.925 1.00 0.00 H new ATOM 0 HG1 THR A 464 -3.566 4.225 -11.849 1.00 0.00 H new ATOM 0 HG21 THR A 464 -3.549 5.097 -14.509 1.00 0.00 H new ATOM 0 HG22 THR A 464 -2.542 6.547 -14.285 1.00 0.00 H new ATOM 0 HG23 THR A 464 -2.096 5.022 -13.484 1.00 0.00 H new ATOM 552 N ARG A 465 -4.442 7.870 -9.937 1.00 0.00 N ATOM 553 CA ARG A 465 -5.251 8.934 -9.381 1.00 0.00 C ATOM 554 C ARG A 465 -4.457 9.780 -8.385 1.00 0.00 C ATOM 555 O ARG A 465 -4.511 11.009 -8.424 1.00 0.00 O ATOM 556 CB ARG A 465 -6.494 8.357 -8.701 1.00 0.00 C ATOM 557 CG ARG A 465 -7.666 8.154 -9.649 1.00 0.00 C ATOM 558 CD ARG A 465 -8.547 6.998 -9.203 1.00 0.00 C ATOM 559 NE ARG A 465 -9.950 7.217 -9.547 1.00 0.00 N ATOM 560 CZ ARG A 465 -10.770 8.006 -8.857 1.00 0.00 C ATOM 561 NH1 ARG A 465 -10.330 8.655 -7.785 1.00 0.00 N ATOM 562 NH2 ARG A 465 -12.032 8.149 -9.239 1.00 0.00 N ATOM 0 H ARG A 465 -4.435 7.013 -9.384 1.00 0.00 H new ATOM 0 HA ARG A 465 -5.558 9.580 -10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 465 -6.237 7.401 -8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 465 -6.800 9.024 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 465 -8.259 9.067 -9.698 1.00 0.00 H new ATOM 0 HG3 ARG A 465 -7.293 7.962 -10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 465 -8.199 6.076 -9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 465 -8.454 6.866 -8.125 1.00 0.00 H new ATOM 0 HE ARG A 465 -10.323 6.736 -10.365 1.00 0.00 H new ATOM 0 HH11 ARG A 465 -9.360 8.550 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 465 -10.962 9.259 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 465 -12.375 7.654 -10.062 1.00 0.00 H new ATOM 0 HH22 ARG A 465 -12.660 8.754 -8.709 1.00 0.00 H new ATOM 576 N LYS A 466 -3.727 9.118 -7.489 1.00 0.00 N ATOM 577 CA LYS A 466 -2.934 9.817 -6.483 1.00 0.00 C ATOM 578 C LYS A 466 -1.923 8.872 -5.827 1.00 0.00 C ATOM 579 O LYS A 466 -2.288 7.794 -5.362 1.00 0.00 O ATOM 580 CB LYS A 466 -3.855 10.411 -5.413 1.00 0.00 C ATOM 581 CG LYS A 466 -4.046 11.916 -5.528 1.00 0.00 C ATOM 582 CD LYS A 466 -2.745 12.679 -5.308 1.00 0.00 C ATOM 583 CE LYS A 466 -1.965 12.146 -4.112 1.00 0.00 C ATOM 584 NZ LYS A 466 -0.886 13.082 -3.692 1.00 0.00 N ATOM 0 H LYS A 466 -3.669 8.101 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 466 -2.386 10.618 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 466 -4.829 9.926 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 466 -3.447 10.181 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 466 -4.444 12.156 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 466 -4.786 12.244 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 466 -2.128 12.609 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 466 -2.966 13.735 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 466 -2.647 11.980 -3.278 1.00 0.00 H new ATOM 0 HE3 LYS A 466 -1.529 11.179 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 466 -0.216 12.584 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 466 -0.384 13.433 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 466 -1.303 13.884 -3.178 1.00 0.00 H new ATOM 598 N PRO A 467 -0.634 9.261 -5.775 1.00 0.00 N ATOM 599 CA PRO A 467 0.412 8.432 -5.168 1.00 0.00 C ATOM 600 C PRO A 467 0.104 8.061 -3.723 1.00 0.00 C ATOM 601 O PRO A 467 -0.510 8.834 -2.986 1.00 0.00 O ATOM 602 CB PRO A 467 1.674 9.303 -5.264 1.00 0.00 C ATOM 603 CG PRO A 467 1.167 10.685 -5.486 1.00 0.00 C ATOM 604 CD PRO A 467 -0.087 10.523 -6.295 1.00 0.00 C ATOM 0 HA PRO A 467 0.514 7.474 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 467 2.267 9.241 -4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 467 2.316 8.981 -6.084 1.00 0.00 H new ATOM 0 HG2 PRO A 467 0.962 11.185 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 467 1.901 11.293 -6.016 1.00 0.00 H new ATOM 0 HD2 PRO A 467 -0.775 11.355 -6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 467 0.123 10.466 -7.363 1.00 0.00 H new ATOM 612 N MET A 468 0.526 6.860 -3.334 1.00 0.00 N ATOM 613 CA MET A 468 0.292 6.357 -1.984 1.00 0.00 C ATOM 614 C MET A 468 1.563 5.766 -1.386 1.00 0.00 C ATOM 615 O MET A 468 2.598 5.671 -2.044 1.00 0.00 O ATOM 616 CB MET A 468 -0.781 5.262 -2.001 1.00 0.00 C ATOM 617 CG MET A 468 -0.520 4.179 -3.036 1.00 0.00 C ATOM 618 SD MET A 468 0.719 2.986 -2.490 1.00 0.00 S ATOM 619 CE MET A 468 1.740 2.859 -3.954 1.00 0.00 C ATOM 0 H MET A 468 1.034 6.215 -3.939 1.00 0.00 H new ATOM 0 HA MET A 468 -0.036 7.201 -1.378 1.00 0.00 H new ATOM 0 HB2 MET A 468 -0.839 4.804 -1.013 1.00 0.00 H new ATOM 0 HB3 MET A 468 -1.751 5.717 -2.199 1.00 0.00 H new ATOM 0 HG2 MET A 468 -1.452 3.657 -3.254 1.00 0.00 H new ATOM 0 HG3 MET A 468 -0.189 4.642 -3.966 1.00 0.00 H new ATOM 0 HE1 MET A 468 1.959 1.810 -4.155 1.00 0.00 H new ATOM 0 HE2 MET A 468 1.211 3.289 -4.805 1.00 0.00 H new ATOM 0 HE3 MET A 468 2.673 3.400 -3.795 1.00 0.00 H new ATOM 629 N THR A 469 1.441 5.320 -0.145 1.00 0.00 N ATOM 630 CA THR A 469 2.529 4.669 0.564 1.00 0.00 C ATOM 631 C THR A 469 2.027 3.304 1.022 1.00 0.00 C ATOM 632 O THR A 469 0.819 3.085 1.073 1.00 0.00 O ATOM 633 CB THR A 469 2.982 5.499 1.767 1.00 0.00 C ATOM 634 OG1 THR A 469 2.079 5.353 2.850 1.00 0.00 O ATOM 635 CG2 THR A 469 3.109 6.974 1.462 1.00 0.00 C ATOM 0 H THR A 469 0.582 5.400 0.399 1.00 0.00 H new ATOM 0 HA THR A 469 3.391 4.564 -0.095 1.00 0.00 H new ATOM 0 HB THR A 469 3.968 5.115 2.027 1.00 0.00 H new ATOM 0 HG1 THR A 469 2.296 6.007 3.547 1.00 0.00 H new ATOM 0 HG21 THR A 469 3.434 7.504 2.357 1.00 0.00 H new ATOM 0 HG22 THR A 469 3.842 7.120 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 469 2.143 7.363 1.140 1.00 0.00 H new ATOM 643 N THR A 470 2.923 2.380 1.339 1.00 0.00 N ATOM 644 CA THR A 470 2.489 1.051 1.766 1.00 0.00 C ATOM 645 C THR A 470 1.596 1.131 2.989 1.00 0.00 C ATOM 646 O THR A 470 0.694 0.313 3.168 1.00 0.00 O ATOM 647 CB THR A 470 3.682 0.139 2.037 1.00 0.00 C ATOM 648 OG1 THR A 470 4.804 0.885 2.466 1.00 0.00 O ATOM 649 CG2 THR A 470 4.094 -0.666 0.827 1.00 0.00 C ATOM 0 H THR A 470 3.933 2.517 1.311 1.00 0.00 H new ATOM 0 HA THR A 470 1.910 0.621 0.949 1.00 0.00 H new ATOM 0 HB THR A 470 3.353 -0.546 2.818 1.00 0.00 H new ATOM 0 HG1 THR A 470 5.513 0.827 1.792 1.00 0.00 H new ATOM 0 HG21 THR A 470 4.947 -1.295 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 470 3.262 -1.294 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 470 4.370 0.010 0.017 1.00 0.00 H new ATOM 657 N LYS A 471 1.833 2.131 3.817 1.00 0.00 N ATOM 658 CA LYS A 471 1.026 2.323 5.007 1.00 0.00 C ATOM 659 C LYS A 471 -0.312 2.928 4.619 1.00 0.00 C ATOM 660 O LYS A 471 -1.370 2.428 5.002 1.00 0.00 O ATOM 661 CB LYS A 471 1.743 3.231 6.009 1.00 0.00 C ATOM 662 CG LYS A 471 3.231 2.949 6.130 1.00 0.00 C ATOM 663 CD LYS A 471 4.056 3.994 5.398 1.00 0.00 C ATOM 664 CE LYS A 471 5.336 3.401 4.831 1.00 0.00 C ATOM 665 NZ LYS A 471 5.312 3.347 3.343 1.00 0.00 N ATOM 0 H LYS A 471 2.574 2.820 3.689 1.00 0.00 H new ATOM 0 HA LYS A 471 0.864 1.355 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 471 1.602 4.270 5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 471 1.279 3.115 6.988 1.00 0.00 H new ATOM 0 HG2 LYS A 471 3.515 2.931 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 471 3.450 1.961 5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 471 3.465 4.424 4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 471 4.302 4.807 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 471 6.188 3.996 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 471 5.478 2.396 5.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 471 5.495 2.373 3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 471 4.379 3.653 3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 471 6.045 3.978 2.961 1.00 0.00 H new ATOM 679 N ASP A 472 -0.249 4.008 3.850 1.00 0.00 N ATOM 680 CA ASP A 472 -1.445 4.701 3.398 1.00 0.00 C ATOM 681 C ASP A 472 -2.291 3.830 2.471 1.00 0.00 C ATOM 682 O ASP A 472 -3.512 3.966 2.442 1.00 0.00 O ATOM 683 CB ASP A 472 -1.069 5.998 2.683 1.00 0.00 C ATOM 684 CG ASP A 472 -2.284 6.828 2.313 1.00 0.00 C ATOM 685 OD1 ASP A 472 -2.981 6.460 1.345 1.00 0.00 O ATOM 686 OD2 ASP A 472 -2.537 7.846 2.992 1.00 0.00 O ATOM 0 H ASP A 472 0.624 4.424 3.526 1.00 0.00 H new ATOM 0 HA ASP A 472 -2.040 4.930 4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 472 -0.412 6.586 3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 472 -0.505 5.762 1.781 1.00 0.00 H new ATOM 691 N LEU A 473 -1.652 2.942 1.709 1.00 0.00 N ATOM 692 CA LEU A 473 -2.392 2.081 0.791 1.00 0.00 C ATOM 693 C LEU A 473 -3.393 1.213 1.544 1.00 0.00 C ATOM 694 O LEU A 473 -4.528 1.026 1.108 1.00 0.00 O ATOM 695 CB LEU A 473 -1.441 1.207 -0.025 1.00 0.00 C ATOM 696 CG LEU A 473 -1.759 1.144 -1.516 1.00 0.00 C ATOM 697 CD1 LEU A 473 -0.736 0.291 -2.250 1.00 0.00 C ATOM 698 CD2 LEU A 473 -3.165 0.605 -1.733 1.00 0.00 C ATOM 0 H LEU A 473 -0.642 2.802 1.709 1.00 0.00 H new ATOM 0 HA LEU A 473 -2.943 2.724 0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 473 -0.425 1.582 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 473 -1.460 0.195 0.380 1.00 0.00 H new ATOM 0 HG LEU A 473 -1.709 2.154 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 473 -0.982 0.260 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 473 0.257 0.722 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 473 -0.748 -0.721 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 473 -3.379 0.565 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 473 -3.240 -0.397 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 473 -3.885 1.260 -1.243 1.00 0.00 H new ATOM 710 N LEU A 474 -2.955 0.681 2.670 1.00 0.00 N ATOM 711 CA LEU A 474 -3.800 -0.174 3.495 1.00 0.00 C ATOM 712 C LEU A 474 -4.678 0.624 4.459 1.00 0.00 C ATOM 713 O LEU A 474 -5.718 0.137 4.898 1.00 0.00 O ATOM 714 CB LEU A 474 -2.977 -1.196 4.280 1.00 0.00 C ATOM 715 CG LEU A 474 -1.779 -0.627 5.018 1.00 0.00 C ATOM 716 CD1 LEU A 474 -2.185 -0.138 6.401 1.00 0.00 C ATOM 717 CD2 LEU A 474 -0.670 -1.666 5.114 1.00 0.00 C ATOM 0 H LEU A 474 -2.015 0.825 3.039 1.00 0.00 H new ATOM 0 HA LEU A 474 -4.453 -0.703 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 474 -3.629 -1.687 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 474 -2.628 -1.965 3.591 1.00 0.00 H new ATOM 0 HG LEU A 474 -1.399 0.226 4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 474 -1.313 0.266 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 474 -2.942 0.640 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 474 -2.591 -0.970 6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 474 0.181 -1.241 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 474 -1.036 -2.540 5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 474 -0.361 -1.962 4.112 1.00 0.00 H new ATOM 729 N LYS A 475 -4.250 1.836 4.815 1.00 0.00 N ATOM 730 CA LYS A 475 -5.001 2.664 5.756 1.00 0.00 C ATOM 731 C LYS A 475 -6.490 2.687 5.421 1.00 0.00 C ATOM 732 O LYS A 475 -7.333 2.708 6.317 1.00 0.00 O ATOM 733 CB LYS A 475 -4.445 4.084 5.789 1.00 0.00 C ATOM 734 CG LYS A 475 -3.636 4.372 7.044 1.00 0.00 C ATOM 735 CD LYS A 475 -2.263 4.903 6.699 1.00 0.00 C ATOM 736 CE LYS A 475 -1.427 5.152 7.944 1.00 0.00 C ATOM 737 NZ LYS A 475 -0.071 5.667 7.609 1.00 0.00 N ATOM 0 H LYS A 475 -3.392 2.263 4.467 1.00 0.00 H new ATOM 0 HA LYS A 475 -4.887 2.219 6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 475 -3.817 4.243 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 475 -5.270 4.794 5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 475 -4.165 5.098 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 475 -3.539 3.461 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 475 -1.750 4.191 6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 475 -2.363 5.831 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 475 -1.938 5.868 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 475 -1.334 4.225 8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 475 0.644 5.140 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 475 0.105 5.545 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 475 -0.013 6.677 7.851 1.00 0.00 H new ATOM 751 N LYS A 476 -6.809 2.679 4.132 1.00 0.00 N ATOM 752 CA LYS A 476 -8.203 2.690 3.705 1.00 0.00 C ATOM 753 C LYS A 476 -8.719 1.273 3.475 1.00 0.00 C ATOM 754 O LYS A 476 -9.827 0.935 3.894 1.00 0.00 O ATOM 755 CB LYS A 476 -8.396 3.544 2.450 1.00 0.00 C ATOM 756 CG LYS A 476 -7.834 2.919 1.191 1.00 0.00 C ATOM 757 CD LYS A 476 -7.061 3.925 0.376 1.00 0.00 C ATOM 758 CE LYS A 476 -5.604 3.845 0.734 1.00 0.00 C ATOM 759 NZ LYS A 476 -4.721 4.053 -0.445 1.00 0.00 N ATOM 0 H LYS A 476 -6.129 2.665 3.371 1.00 0.00 H new ATOM 0 HA LYS A 476 -8.786 3.139 4.509 1.00 0.00 H new ATOM 0 HB2 LYS A 476 -9.461 3.729 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 476 -7.922 4.513 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 476 -7.183 2.086 1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 476 -8.647 2.510 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 476 -7.197 3.729 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 476 -7.439 4.930 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 476 -5.377 4.594 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 476 -5.394 2.871 1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 476 -3.780 4.358 -0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 476 -4.634 3.162 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 476 -5.131 4.784 -1.061 1.00 0.00 H new ATOM 773 N PHE A 477 -7.909 0.435 2.828 1.00 0.00 N ATOM 774 CA PHE A 477 -8.290 -0.941 2.574 1.00 0.00 C ATOM 775 C PHE A 477 -8.558 -1.660 3.884 1.00 0.00 C ATOM 776 O PHE A 477 -9.375 -2.577 3.956 1.00 0.00 O ATOM 777 CB PHE A 477 -7.171 -1.653 1.823 1.00 0.00 C ATOM 778 CG PHE A 477 -7.241 -1.495 0.335 1.00 0.00 C ATOM 779 CD1 PHE A 477 -8.450 -1.584 -0.333 1.00 0.00 C ATOM 780 CD2 PHE A 477 -6.091 -1.262 -0.397 1.00 0.00 C ATOM 781 CE1 PHE A 477 -8.510 -1.444 -1.704 1.00 0.00 C ATOM 782 CE2 PHE A 477 -6.143 -1.120 -1.766 1.00 0.00 C ATOM 783 CZ PHE A 477 -7.354 -1.211 -2.424 1.00 0.00 C ATOM 0 H PHE A 477 -6.988 0.691 2.473 1.00 0.00 H new ATOM 0 HA PHE A 477 -9.198 -0.950 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 477 -6.212 -1.272 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 477 -7.201 -2.715 2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 477 -9.357 -1.765 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 477 -5.141 -1.191 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 477 -9.459 -1.516 -2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 477 -5.237 -0.938 -2.325 1.00 0.00 H new ATOM 0 HZ PHE A 477 -7.397 -1.100 -3.497 1.00 0.00 H new ATOM 889 N LEU A 484 -9.918 -9.290 5.474 1.00 0.00 N ATOM 890 CA LEU A 484 -8.499 -9.490 5.680 1.00 0.00 C ATOM 891 C LEU A 484 -8.006 -8.745 6.913 1.00 0.00 C ATOM 892 O LEU A 484 -8.100 -7.521 6.996 1.00 0.00 O ATOM 893 CB LEU A 484 -7.719 -9.038 4.440 1.00 0.00 C ATOM 894 CG LEU A 484 -7.115 -10.161 3.586 1.00 0.00 C ATOM 895 CD1 LEU A 484 -8.009 -11.394 3.584 1.00 0.00 C ATOM 896 CD2 LEU A 484 -6.882 -9.673 2.165 1.00 0.00 C ATOM 0 HA LEU A 484 -8.329 -10.554 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 484 -8.384 -8.446 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 484 -6.913 -8.378 4.761 1.00 0.00 H new ATOM 0 HG LEU A 484 -6.158 -10.442 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 484 -7.554 -12.172 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 484 -8.128 -11.759 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 484 -8.986 -11.135 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 484 -6.453 -10.479 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 484 -7.831 -9.363 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 484 -6.195 -8.827 2.179 1.00 0.00 H new ATOM 908 N SER A 485 -7.476 -9.501 7.865 1.00 0.00 N ATOM 909 CA SER A 485 -6.948 -8.939 9.105 1.00 0.00 C ATOM 910 C SER A 485 -6.098 -7.701 8.840 1.00 0.00 C ATOM 911 O SER A 485 -5.620 -7.491 7.726 1.00 0.00 O ATOM 912 CB SER A 485 -6.100 -9.976 9.828 1.00 0.00 C ATOM 913 OG SER A 485 -6.411 -10.019 11.209 1.00 0.00 O ATOM 0 H SER A 485 -7.399 -10.516 7.802 1.00 0.00 H new ATOM 0 HA SER A 485 -7.798 -8.652 9.724 1.00 0.00 H new ATOM 0 HB2 SER A 485 -6.265 -10.958 9.385 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.044 -9.741 9.698 1.00 0.00 H new ATOM 0 HG SER A 485 -5.853 -10.694 11.649 1.00 0.00 H new ATOM 919 N SER A 486 -5.895 -6.897 9.878 1.00 0.00 N ATOM 920 CA SER A 486 -5.078 -5.699 9.757 1.00 0.00 C ATOM 921 C SER A 486 -3.657 -6.075 9.355 1.00 0.00 C ATOM 922 O SER A 486 -2.933 -5.278 8.758 1.00 0.00 O ATOM 923 CB SER A 486 -5.065 -4.922 11.075 1.00 0.00 C ATOM 924 OG SER A 486 -4.447 -5.674 12.104 1.00 0.00 O ATOM 0 H SER A 486 -6.284 -7.053 10.808 1.00 0.00 H new ATOM 0 HA SER A 486 -5.508 -5.061 8.985 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.534 -3.980 10.940 1.00 0.00 H new ATOM 0 HB3 SER A 486 -6.086 -4.674 11.365 1.00 0.00 H new ATOM 0 HG SER A 486 -4.450 -5.155 12.935 1.00 0.00 H new ATOM 930 N GLU A 487 -3.271 -7.306 9.683 1.00 0.00 N ATOM 931 CA GLU A 487 -1.949 -7.812 9.358 1.00 0.00 C ATOM 932 C GLU A 487 -1.966 -8.505 8.004 1.00 0.00 C ATOM 933 O GLU A 487 -1.071 -8.313 7.181 1.00 0.00 O ATOM 934 CB GLU A 487 -1.463 -8.780 10.439 1.00 0.00 C ATOM 935 CG GLU A 487 -1.856 -8.372 11.850 1.00 0.00 C ATOM 936 CD GLU A 487 -1.366 -9.351 12.899 1.00 0.00 C ATOM 937 OE1 GLU A 487 -1.143 -10.529 12.552 1.00 0.00 O ATOM 938 OE2 GLU A 487 -1.208 -8.939 14.067 1.00 0.00 O ATOM 0 H GLU A 487 -3.864 -7.973 10.178 1.00 0.00 H new ATOM 0 HA GLU A 487 -1.260 -6.968 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 487 -1.865 -9.772 10.232 1.00 0.00 H new ATOM 0 HB3 GLU A 487 -0.377 -8.858 10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 487 -1.451 -7.383 12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 487 -2.941 -8.292 11.912 1.00 0.00 H new ATOM 945 N GLN A 488 -2.999 -9.303 7.782 1.00 0.00 N ATOM 946 CA GLN A 488 -3.153 -10.021 6.525 1.00 0.00 C ATOM 947 C GLN A 488 -3.337 -9.033 5.383 1.00 0.00 C ATOM 948 O GLN A 488 -2.760 -9.196 4.308 1.00 0.00 O ATOM 949 CB GLN A 488 -4.343 -10.981 6.589 1.00 0.00 C ATOM 950 CG GLN A 488 -3.939 -12.436 6.760 1.00 0.00 C ATOM 951 CD GLN A 488 -5.119 -13.383 6.672 1.00 0.00 C ATOM 952 OE1 GLN A 488 -5.194 -14.220 5.772 1.00 0.00 O ATOM 953 NE2 GLN A 488 -6.051 -13.258 7.610 1.00 0.00 N ATOM 0 H GLN A 488 -3.745 -9.470 8.457 1.00 0.00 H new ATOM 0 HA GLN A 488 -2.251 -10.607 6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 488 -4.989 -10.692 7.418 1.00 0.00 H new ATOM 0 HB3 GLN A 488 -4.931 -10.880 5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 488 -3.209 -12.699 5.994 1.00 0.00 H new ATOM 0 HG3 GLN A 488 -3.448 -12.562 7.725 1.00 0.00 H new ATOM 0 HE21 GLN A 488 -5.950 -12.551 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 488 -6.868 -13.869 7.602 1.00 0.00 H new ATOM 962 N THR A 489 -4.128 -7.989 5.633 1.00 0.00 N ATOM 963 CA THR A 489 -4.365 -6.958 4.631 1.00 0.00 C ATOM 964 C THR A 489 -3.033 -6.446 4.095 1.00 0.00 C ATOM 965 O THR A 489 -2.935 -6.003 2.951 1.00 0.00 O ATOM 966 CB THR A 489 -5.170 -5.802 5.229 1.00 0.00 C ATOM 967 OG1 THR A 489 -6.418 -6.260 5.713 1.00 0.00 O ATOM 968 CG2 THR A 489 -5.441 -4.687 4.242 1.00 0.00 C ATOM 0 H THR A 489 -4.612 -7.838 6.518 1.00 0.00 H new ATOM 0 HA THR A 489 -4.940 -7.390 3.812 1.00 0.00 H new ATOM 0 HB THR A 489 -4.553 -5.407 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 489 -6.272 -6.897 6.443 1.00 0.00 H new ATOM 0 HG21 THR A 489 -6.015 -3.900 4.731 1.00 0.00 H new ATOM 0 HG22 THR A 489 -4.495 -4.278 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 489 -6.008 -5.079 3.397 1.00 0.00 H new ATOM 976 N VAL A 490 -2.005 -6.534 4.934 1.00 0.00 N ATOM 977 CA VAL A 490 -0.665 -6.105 4.553 1.00 0.00 C ATOM 978 C VAL A 490 0.048 -7.231 3.821 1.00 0.00 C ATOM 979 O VAL A 490 0.736 -7.010 2.825 1.00 0.00 O ATOM 980 CB VAL A 490 0.166 -5.701 5.781 1.00 0.00 C ATOM 981 CG1 VAL A 490 1.420 -4.950 5.360 1.00 0.00 C ATOM 982 CG2 VAL A 490 -0.675 -4.866 6.728 1.00 0.00 C ATOM 0 H VAL A 490 -2.076 -6.899 5.884 1.00 0.00 H new ATOM 0 HA VAL A 490 -0.767 -5.237 3.902 1.00 0.00 H new ATOM 0 HB VAL A 490 0.479 -6.605 6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 490 1.993 -4.674 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 490 2.028 -5.588 4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 490 1.139 -4.049 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 490 -0.077 -4.585 7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 490 -1.016 -3.966 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 490 -1.538 -5.446 7.056 1.00 0.00 H new ATOM 992 N ASN A 491 -0.149 -8.444 4.321 1.00 0.00 N ATOM 993 CA ASN A 491 0.441 -9.630 3.727 1.00 0.00 C ATOM 994 C ASN A 491 -0.061 -9.799 2.295 1.00 0.00 C ATOM 995 O ASN A 491 0.656 -10.291 1.423 1.00 0.00 O ATOM 996 CB ASN A 491 0.086 -10.852 4.581 1.00 0.00 C ATOM 997 CG ASN A 491 0.218 -12.167 3.835 1.00 0.00 C ATOM 998 OD1 ASN A 491 1.304 -12.539 3.390 1.00 0.00 O ATOM 999 ND2 ASN A 491 -0.897 -12.876 3.697 1.00 0.00 N ATOM 0 H ASN A 491 -0.720 -8.630 5.146 1.00 0.00 H new ATOM 0 HA ASN A 491 1.526 -9.528 3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 491 0.733 -10.874 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 491 -0.937 -10.749 4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 491 -0.876 -13.769 3.205 1.00 0.00 H new ATOM 0 HD22 ASN A 491 -1.774 -12.527 4.083 1.00 0.00 H new ATOM 1006 N VAL A 492 -1.296 -9.369 2.065 1.00 0.00 N ATOM 1007 CA VAL A 492 -1.908 -9.447 0.746 1.00 0.00 C ATOM 1008 C VAL A 492 -1.710 -8.140 -0.021 1.00 0.00 C ATOM 1009 O VAL A 492 -1.965 -8.071 -1.219 1.00 0.00 O ATOM 1010 CB VAL A 492 -3.416 -9.748 0.854 1.00 0.00 C ATOM 1011 CG1 VAL A 492 -4.106 -8.699 1.715 1.00 0.00 C ATOM 1012 CG2 VAL A 492 -4.053 -9.825 -0.528 1.00 0.00 C ATOM 0 H VAL A 492 -1.896 -8.960 2.781 1.00 0.00 H new ATOM 0 HA VAL A 492 -1.420 -10.259 0.207 1.00 0.00 H new ATOM 0 HB VAL A 492 -3.541 -10.719 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 492 -5.170 -8.926 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 492 -3.671 -8.705 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 492 -3.972 -7.715 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 492 -5.117 -10.038 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 492 -3.921 -8.873 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 492 -3.577 -10.618 -1.104 1.00 0.00 H new ATOM 1022 N LEU A 493 -1.249 -7.108 0.676 1.00 0.00 N ATOM 1023 CA LEU A 493 -1.012 -5.816 0.059 1.00 0.00 C ATOM 1024 C LEU A 493 0.413 -5.741 -0.474 1.00 0.00 C ATOM 1025 O LEU A 493 0.656 -5.256 -1.578 1.00 0.00 O ATOM 1026 CB LEU A 493 -1.245 -4.691 1.074 1.00 0.00 C ATOM 1027 CG LEU A 493 -0.838 -3.294 0.603 1.00 0.00 C ATOM 1028 CD1 LEU A 493 -1.478 -2.972 -0.736 1.00 0.00 C ATOM 1029 CD2 LEU A 493 -1.213 -2.249 1.639 1.00 0.00 C ATOM 0 H LEU A 493 -1.032 -7.145 1.672 1.00 0.00 H new ATOM 0 HA LEU A 493 -1.709 -5.695 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -2.303 -4.674 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -0.693 -4.925 1.985 1.00 0.00 H new ATOM 0 HG LEU A 493 0.245 -3.279 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -1.176 -1.974 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -1.155 -3.702 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -2.563 -3.009 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -0.915 -1.262 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -2.291 -2.267 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -0.703 -2.467 2.577 1.00 0.00 H new ATOM 1041 N ALA A 494 1.349 -6.231 0.329 1.00 0.00 N ATOM 1042 CA ALA A 494 2.760 -6.235 -0.031 1.00 0.00 C ATOM 1043 C ALA A 494 2.989 -6.861 -1.401 1.00 0.00 C ATOM 1044 O ALA A 494 3.901 -6.467 -2.126 1.00 0.00 O ATOM 1045 CB ALA A 494 3.559 -6.983 1.023 1.00 0.00 C ATOM 0 H ALA A 494 1.152 -6.635 1.245 1.00 0.00 H new ATOM 0 HA ALA A 494 3.097 -5.199 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 494 4.614 -6.983 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 494 3.435 -6.493 1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 494 3.202 -8.011 1.089 1.00 0.00 H new ATOM 1051 N GLN A 495 2.173 -7.852 -1.740 1.00 0.00 N ATOM 1052 CA GLN A 495 2.300 -8.549 -3.008 1.00 0.00 C ATOM 1053 C GLN A 495 1.941 -7.659 -4.196 1.00 0.00 C ATOM 1054 O GLN A 495 2.617 -7.683 -5.225 1.00 0.00 O ATOM 1055 CB GLN A 495 1.420 -9.795 -3.004 1.00 0.00 C ATOM 1056 CG GLN A 495 0.044 -9.564 -2.423 1.00 0.00 C ATOM 1057 CD GLN A 495 -1.069 -9.949 -3.380 1.00 0.00 C ATOM 1058 OE1 GLN A 495 -2.137 -9.163 -3.390 1.00 0.00 O flip ATOM 1059 NE2 GLN A 495 -0.969 -10.942 -4.100 1.00 0.00 N flip ATOM 0 H GLN A 495 1.414 -8.190 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 495 3.346 -8.835 -3.122 1.00 0.00 H new ATOM 0 HB2 GLN A 495 1.317 -10.160 -4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 495 1.918 -10.579 -2.434 1.00 0.00 H new ATOM 0 HG2 GLN A 495 -0.059 -10.139 -1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 495 -0.061 -8.513 -2.155 1.00 0.00 H new ATOM 0 HE21 GLN A 495 -0.129 -11.519 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 495 -1.726 -11.188 -4.737 1.00 0.00 H new ATOM 1068 N ILE A 496 0.865 -6.892 -4.061 1.00 0.00 N ATOM 1069 CA ILE A 496 0.410 -6.018 -5.137 1.00 0.00 C ATOM 1070 C ILE A 496 1.312 -4.798 -5.327 1.00 0.00 C ATOM 1071 O ILE A 496 1.641 -4.434 -6.456 1.00 0.00 O ATOM 1072 CB ILE A 496 -1.035 -5.538 -4.886 1.00 0.00 C ATOM 1073 CG1 ILE A 496 -2.021 -6.683 -5.110 1.00 0.00 C ATOM 1074 CG2 ILE A 496 -1.375 -4.363 -5.791 1.00 0.00 C ATOM 1075 CD1 ILE A 496 -3.212 -6.645 -4.178 1.00 0.00 C ATOM 0 H ILE A 496 0.292 -6.857 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 496 0.451 -6.616 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 496 -1.112 -5.208 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 496 -2.375 -6.651 -6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 496 -1.499 -7.631 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 496 -2.398 -4.040 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 496 -0.690 -3.539 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 496 -1.281 -4.667 -6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 496 -3.870 -7.487 -4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 496 -2.868 -6.708 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 496 -3.757 -5.712 -4.322 1.00 0.00 H new ATOM 1087 N LEU A 497 1.681 -4.154 -4.223 1.00 0.00 N ATOM 1088 CA LEU A 497 2.516 -2.956 -4.259 1.00 0.00 C ATOM 1089 C LEU A 497 3.594 -3.023 -5.345 1.00 0.00 C ATOM 1090 O LEU A 497 3.593 -2.221 -6.279 1.00 0.00 O ATOM 1091 CB LEU A 497 3.163 -2.743 -2.891 1.00 0.00 C ATOM 1092 CG LEU A 497 2.544 -1.638 -2.031 1.00 0.00 C ATOM 1093 CD1 LEU A 497 2.345 -0.357 -2.829 1.00 0.00 C ATOM 1094 CD2 LEU A 497 1.228 -2.107 -1.440 1.00 0.00 C ATOM 0 H LEU A 497 1.412 -4.445 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 497 1.870 -2.113 -4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 497 3.115 -3.680 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 497 4.218 -2.515 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 497 3.237 -1.417 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 497 1.904 0.406 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 497 3.308 -0.007 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 497 1.681 -0.552 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 497 0.799 -1.312 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 497 0.538 -2.361 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 497 1.401 -2.986 -0.819 1.00 0.00 H new ATOM 1106 N LYS A 498 4.518 -3.970 -5.211 1.00 0.00 N ATOM 1107 CA LYS A 498 5.604 -4.118 -6.179 1.00 0.00 C ATOM 1108 C LYS A 498 5.065 -4.386 -7.576 1.00 0.00 C ATOM 1109 O LYS A 498 5.701 -4.053 -8.575 1.00 0.00 O ATOM 1110 CB LYS A 498 6.552 -5.242 -5.754 1.00 0.00 C ATOM 1111 CG LYS A 498 5.922 -6.625 -5.794 1.00 0.00 C ATOM 1112 CD LYS A 498 5.367 -7.026 -4.437 1.00 0.00 C ATOM 1113 CE LYS A 498 6.459 -7.058 -3.371 1.00 0.00 C ATOM 1114 NZ LYS A 498 6.171 -8.068 -2.316 1.00 0.00 N ATOM 0 H LYS A 498 4.538 -4.644 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 498 6.158 -3.180 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 498 7.426 -5.232 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 498 6.905 -5.043 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 498 5.122 -6.640 -6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 498 6.665 -7.355 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 498 4.588 -6.324 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 498 4.900 -8.008 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 498 7.417 -7.284 -3.839 1.00 0.00 H new ATOM 0 HE3 LYS A 498 6.551 -6.072 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 498 7.012 -8.194 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 498 5.375 -7.742 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 498 5.924 -8.975 -2.762 1.00 0.00 H new ATOM 1128 N ARG A 499 3.883 -4.978 -7.638 1.00 0.00 N ATOM 1129 CA ARG A 499 3.245 -5.280 -8.912 1.00 0.00 C ATOM 1130 C ARG A 499 2.952 -3.997 -9.681 1.00 0.00 C ATOM 1131 O ARG A 499 2.866 -3.999 -10.909 1.00 0.00 O ATOM 1132 CB ARG A 499 1.947 -6.046 -8.677 1.00 0.00 C ATOM 1133 CG ARG A 499 1.623 -7.041 -9.776 1.00 0.00 C ATOM 1134 CD ARG A 499 1.893 -8.467 -9.324 1.00 0.00 C ATOM 1135 NE ARG A 499 1.580 -9.441 -10.367 1.00 0.00 N ATOM 1136 CZ ARG A 499 2.021 -10.697 -10.365 1.00 0.00 C ATOM 1137 NH1 ARG A 499 2.794 -11.134 -9.378 1.00 0.00 N ATOM 1138 NH2 ARG A 499 1.689 -11.518 -11.352 1.00 0.00 N ATOM 0 H ARG A 499 3.344 -5.260 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 499 3.925 -5.895 -9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 499 2.014 -6.576 -7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 499 1.126 -5.335 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 499 0.577 -6.940 -10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 499 2.220 -6.818 -10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 499 2.941 -8.565 -9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 499 1.300 -8.684 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 499 0.989 -9.141 -11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 499 3.053 -10.506 -8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 499 3.129 -12.097 -9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 499 1.096 -11.187 -12.113 1.00 0.00 H new ATOM 0 HH22 ARG A 499 2.027 -12.480 -11.350 1.00 0.00 H new ATOM 1152 N LEU A 500 2.786 -2.909 -8.941 1.00 0.00 N ATOM 1153 CA LEU A 500 2.485 -1.611 -9.531 1.00 0.00 C ATOM 1154 C LEU A 500 3.579 -1.152 -10.480 1.00 0.00 C ATOM 1155 O LEU A 500 3.304 -0.700 -11.591 1.00 0.00 O ATOM 1156 CB LEU A 500 2.296 -0.577 -8.423 1.00 0.00 C ATOM 1157 CG LEU A 500 1.198 -0.919 -7.416 1.00 0.00 C ATOM 1158 CD1 LEU A 500 1.218 0.055 -6.247 1.00 0.00 C ATOM 1159 CD2 LEU A 500 -0.159 -0.919 -8.102 1.00 0.00 C ATOM 0 H LEU A 500 2.855 -2.900 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 500 1.567 -1.712 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 500 3.238 -0.460 -7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 500 2.067 0.386 -8.878 1.00 0.00 H new ATOM 0 HG LEU A 500 1.384 -1.918 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 500 0.429 -0.206 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 500 2.184 0.002 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 500 1.055 1.068 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 500 -0.934 -1.164 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 500 -0.354 0.068 -8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 500 -0.163 -1.661 -8.901 1.00 0.00 H new ATOM 1171 N ASN A 501 4.814 -1.256 -10.029 1.00 0.00 N ATOM 1172 CA ASN A 501 5.953 -0.836 -10.825 1.00 0.00 C ATOM 1173 C ASN A 501 5.822 0.646 -11.171 1.00 0.00 C ATOM 1174 O ASN A 501 5.769 1.024 -12.341 1.00 0.00 O ATOM 1175 CB ASN A 501 6.043 -1.688 -12.092 1.00 0.00 C ATOM 1176 CG ASN A 501 7.127 -1.225 -13.041 1.00 0.00 C ATOM 1177 OD1 ASN A 501 6.882 -0.434 -13.951 1.00 0.00 O ATOM 1178 ND2 ASN A 501 8.336 -1.729 -12.834 1.00 0.00 N ATOM 0 H ASN A 501 5.056 -1.629 -9.111 1.00 0.00 H new ATOM 0 HA ASN A 501 6.870 -0.976 -10.253 1.00 0.00 H new ATOM 0 HB2 ASN A 501 6.231 -2.725 -11.813 1.00 0.00 H new ATOM 0 HB3 ASN A 501 5.083 -1.665 -12.607 1.00 0.00 H new ATOM 0 HD21 ASN A 501 9.110 -1.464 -13.443 1.00 0.00 H new ATOM 0 HD22 ASN A 501 8.492 -2.382 -12.066 1.00 0.00 H new ATOM 1185 N PRO A 502 5.760 1.505 -10.139 1.00 0.00 N ATOM 1186 CA PRO A 502 5.628 2.937 -10.285 1.00 0.00 C ATOM 1187 C PRO A 502 6.961 3.637 -10.089 1.00 0.00 C ATOM 1188 O PRO A 502 8.021 3.021 -10.198 1.00 0.00 O ATOM 1189 CB PRO A 502 4.673 3.268 -9.137 1.00 0.00 C ATOM 1190 CG PRO A 502 4.957 2.241 -8.080 1.00 0.00 C ATOM 1191 CD PRO A 502 5.812 1.167 -8.717 1.00 0.00 C ATOM 0 HA PRO A 502 5.282 3.251 -11.270 1.00 0.00 H new ATOM 0 HB2 PRO A 502 4.843 4.277 -8.762 1.00 0.00 H new ATOM 0 HB3 PRO A 502 3.634 3.221 -9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 502 5.474 2.693 -7.234 1.00 0.00 H new ATOM 0 HG3 PRO A 502 4.029 1.817 -7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 502 6.833 1.185 -8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 502 5.417 0.170 -8.525 1.00 0.00 H new ATOM 1199 N GLU A 503 6.903 4.919 -9.779 1.00 0.00 N ATOM 1200 CA GLU A 503 8.096 5.695 -9.545 1.00 0.00 C ATOM 1201 C GLU A 503 8.093 6.224 -8.120 1.00 0.00 C ATOM 1202 O GLU A 503 7.046 6.601 -7.593 1.00 0.00 O ATOM 1203 CB GLU A 503 8.185 6.836 -10.547 1.00 0.00 C ATOM 1204 CG GLU A 503 9.186 6.576 -11.661 1.00 0.00 C ATOM 1205 CD GLU A 503 10.419 7.451 -11.553 1.00 0.00 C ATOM 1206 OE1 GLU A 503 11.375 7.047 -10.857 1.00 0.00 O ATOM 1207 OE2 GLU A 503 10.430 8.540 -12.163 1.00 0.00 O ATOM 0 H GLU A 503 6.033 5.444 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 503 8.971 5.059 -9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 503 7.201 7.005 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 503 8.463 7.751 -10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 503 9.486 5.528 -11.638 1.00 0.00 H new ATOM 0 HG3 GLU A 503 8.705 6.749 -12.624 1.00 0.00 H new ATOM 1214 N ARG A 504 9.258 6.237 -7.491 1.00 0.00 N ATOM 1215 CA ARG A 504 9.360 6.706 -6.120 1.00 0.00 C ATOM 1216 C ARG A 504 9.378 8.225 -6.056 1.00 0.00 C ATOM 1217 O ARG A 504 10.086 8.889 -6.813 1.00 0.00 O ATOM 1218 CB ARG A 504 10.602 6.135 -5.446 1.00 0.00 C ATOM 1219 CG ARG A 504 11.906 6.612 -6.063 1.00 0.00 C ATOM 1220 CD ARG A 504 13.101 6.234 -5.201 1.00 0.00 C ATOM 1221 NE ARG A 504 14.271 7.057 -5.496 1.00 0.00 N ATOM 1222 CZ ARG A 504 15.431 6.953 -4.853 1.00 0.00 C ATOM 1223 NH1 ARG A 504 15.581 6.063 -3.880 1.00 0.00 N ATOM 1224 NH2 ARG A 504 16.446 7.741 -5.184 1.00 0.00 N ATOM 0 H ARG A 504 10.139 5.931 -7.905 1.00 0.00 H new ATOM 0 HA ARG A 504 8.478 6.355 -5.584 1.00 0.00 H new ATOM 0 HB2 ARG A 504 10.589 6.407 -4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 504 10.564 5.047 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 504 12.020 6.178 -7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 504 11.875 7.694 -6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 504 12.838 6.342 -4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 504 13.346 5.184 -5.362 1.00 0.00 H new ATOM 0 HE ARG A 504 14.194 7.752 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 504 14.805 5.454 -3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 504 16.473 5.988 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 504 16.337 8.426 -5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 504 17.335 7.661 -4.691 1.00 0.00 H new ATOM 1238 N LYS A 505 8.588 8.759 -5.139 1.00 0.00 N ATOM 1239 CA LYS A 505 8.483 10.199 -4.940 1.00 0.00 C ATOM 1240 C LYS A 505 8.012 10.492 -3.523 1.00 0.00 C ATOM 1241 O LYS A 505 7.409 9.637 -2.876 1.00 0.00 O ATOM 1242 CB LYS A 505 7.507 10.819 -5.948 1.00 0.00 C ATOM 1243 CG LYS A 505 7.569 10.191 -7.332 1.00 0.00 C ATOM 1244 CD LYS A 505 6.538 10.801 -8.269 1.00 0.00 C ATOM 1245 CE LYS A 505 5.121 10.536 -7.787 1.00 0.00 C ATOM 1246 NZ LYS A 505 4.103 11.058 -8.739 1.00 0.00 N ATOM 0 H LYS A 505 8.001 8.209 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 505 9.468 10.640 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 505 6.492 10.724 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 505 7.717 11.885 -6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 505 8.567 10.327 -7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 505 7.400 9.117 -7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 505 6.703 11.876 -8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 505 6.666 10.389 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 505 4.977 9.464 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 505 4.977 11.000 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 505 3.150 10.857 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 505 4.223 12.085 -8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 505 4.223 10.597 -9.663 1.00 0.00 H new ATOM 1260 N MET A 506 8.287 11.694 -3.037 1.00 0.00 N ATOM 1261 CA MET A 506 7.882 12.066 -1.689 1.00 0.00 C ATOM 1262 C MET A 506 6.688 13.014 -1.705 1.00 0.00 C ATOM 1263 O MET A 506 6.810 14.179 -2.084 1.00 0.00 O ATOM 1264 CB MET A 506 9.046 12.704 -0.931 1.00 0.00 C ATOM 1265 CG MET A 506 9.748 13.812 -1.699 1.00 0.00 C ATOM 1266 SD MET A 506 10.478 15.055 -0.612 1.00 0.00 S ATOM 1267 CE MET A 506 11.008 14.041 0.769 1.00 0.00 C ATOM 0 H MET A 506 8.784 12.422 -3.550 1.00 0.00 H new ATOM 0 HA MET A 506 7.583 11.152 -1.175 1.00 0.00 H new ATOM 0 HB2 MET A 506 8.675 13.107 0.012 1.00 0.00 H new ATOM 0 HB3 MET A 506 9.773 11.930 -0.683 1.00 0.00 H new ATOM 0 HG2 MET A 506 10.528 13.378 -2.324 1.00 0.00 H new ATOM 0 HG3 MET A 506 9.035 14.293 -2.368 1.00 0.00 H new ATOM 0 HE1 MET A 506 11.716 14.600 1.380 1.00 0.00 H new ATOM 0 HE2 MET A 506 10.143 13.769 1.374 1.00 0.00 H new ATOM 0 HE3 MET A 506 11.487 13.137 0.394 1.00 0.00 H new ATOM 1277 N ILE A 507 5.536 12.510 -1.271 1.00 0.00 N ATOM 1278 CA ILE A 507 4.324 13.315 -1.214 1.00 0.00 C ATOM 1279 C ILE A 507 4.212 13.989 0.153 1.00 0.00 C ATOM 1280 O ILE A 507 3.992 13.325 1.166 1.00 0.00 O ATOM 1281 CB ILE A 507 3.051 12.460 -1.469 1.00 0.00 C ATOM 1282 CG1 ILE A 507 2.929 12.026 -2.944 1.00 0.00 C ATOM 1283 CG2 ILE A 507 1.805 13.229 -1.054 1.00 0.00 C ATOM 1284 CD1 ILE A 507 3.835 12.777 -3.896 1.00 0.00 C ATOM 0 H ILE A 507 5.418 11.548 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 507 4.392 14.067 -2.000 1.00 0.00 H new ATOM 0 HB ILE A 507 3.143 11.558 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 507 3.150 10.961 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 507 1.896 12.159 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 507 0.922 12.618 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 507 1.863 13.471 0.007 1.00 0.00 H new ATOM 0 HG23 ILE A 507 1.736 14.150 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 507 3.683 12.408 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 507 3.601 13.841 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE A 507 4.874 12.624 -3.606 1.00 0.00 H new ATOM 1296 N ASN A 508 4.371 15.308 0.173 1.00 0.00 N ATOM 1297 CA ASN A 508 4.292 16.066 1.416 1.00 0.00 C ATOM 1298 C ASN A 508 5.347 15.586 2.410 1.00 0.00 C ATOM 1299 O ASN A 508 5.063 15.401 3.593 1.00 0.00 O ATOM 1300 CB ASN A 508 2.897 15.935 2.030 1.00 0.00 C ATOM 1301 CG ASN A 508 2.489 17.173 2.805 1.00 0.00 C ATOM 1302 OD1 ASN A 508 3.259 17.699 3.607 1.00 0.00 O ATOM 1303 ND2 ASN A 508 1.270 17.644 2.568 1.00 0.00 N ATOM 0 H ASN A 508 4.555 15.873 -0.656 1.00 0.00 H new ATOM 0 HA ASN A 508 4.482 17.115 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 508 2.171 15.749 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 508 2.874 15.070 2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 508 0.939 18.474 3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 508 0.664 17.176 1.894 1.00 0.00 H new ATOM 1310 N ASP A 509 6.567 15.384 1.917 1.00 0.00 N ATOM 1311 CA ASP A 509 7.671 14.924 2.756 1.00 0.00 C ATOM 1312 C ASP A 509 7.486 13.462 3.163 1.00 0.00 C ATOM 1313 O ASP A 509 8.168 12.970 4.062 1.00 0.00 O ATOM 1314 CB ASP A 509 7.798 15.800 4.005 1.00 0.00 C ATOM 1315 CG ASP A 509 9.229 15.909 4.493 1.00 0.00 C ATOM 1316 OD1 ASP A 509 10.003 14.951 4.280 1.00 0.00 O ATOM 1317 OD2 ASP A 509 9.577 16.951 5.085 1.00 0.00 O ATOM 0 H ASP A 509 6.816 15.532 0.939 1.00 0.00 H new ATOM 0 HA ASP A 509 8.587 15.004 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 509 7.415 16.797 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 509 7.177 15.387 4.800 1.00 0.00 H new ATOM 1322 N LYS A 510 6.565 12.771 2.497 1.00 0.00 N ATOM 1323 CA LYS A 510 6.299 11.367 2.793 1.00 0.00 C ATOM 1324 C LYS A 510 6.642 10.488 1.597 1.00 0.00 C ATOM 1325 O LYS A 510 6.286 10.807 0.465 1.00 0.00 O ATOM 1326 CB LYS A 510 4.831 11.171 3.166 1.00 0.00 C ATOM 1327 CG LYS A 510 4.561 9.846 3.860 1.00 0.00 C ATOM 1328 CD LYS A 510 4.634 9.982 5.373 1.00 0.00 C ATOM 1329 CE LYS A 510 5.989 10.507 5.823 1.00 0.00 C ATOM 1330 NZ LYS A 510 6.090 10.585 7.307 1.00 0.00 N ATOM 0 H LYS A 510 5.991 13.160 1.749 1.00 0.00 H new ATOM 0 HA LYS A 510 6.926 11.076 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 510 4.517 11.986 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 510 4.222 11.232 2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 510 3.575 9.479 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 510 5.287 9.105 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 510 3.849 10.656 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 510 4.447 9.013 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 510 6.776 9.857 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 510 6.155 11.496 5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 7.028 10.947 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 5.356 11.225 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 5.957 9.637 7.714 1.00 0.00 H new ATOM 1344 N MET A 511 7.330 9.379 1.849 1.00 0.00 N ATOM 1345 CA MET A 511 7.709 8.470 0.775 1.00 0.00 C ATOM 1346 C MET A 511 6.474 7.826 0.145 1.00 0.00 C ATOM 1347 O MET A 511 5.824 6.975 0.753 1.00 0.00 O ATOM 1348 CB MET A 511 8.651 7.388 1.305 1.00 0.00 C ATOM 1349 CG MET A 511 9.822 7.094 0.380 1.00 0.00 C ATOM 1350 SD MET A 511 9.343 6.116 -1.057 1.00 0.00 S ATOM 1351 CE MET A 511 9.032 7.409 -2.257 1.00 0.00 C ATOM 0 H MET A 511 7.634 9.090 2.779 1.00 0.00 H new ATOM 0 HA MET A 511 8.225 9.047 0.008 1.00 0.00 H new ATOM 0 HB2 MET A 511 9.035 7.697 2.277 1.00 0.00 H new ATOM 0 HB3 MET A 511 8.084 6.470 1.463 1.00 0.00 H new ATOM 0 HG2 MET A 511 10.260 8.034 0.045 1.00 0.00 H new ATOM 0 HG3 MET A 511 10.594 6.562 0.936 1.00 0.00 H new ATOM 0 HE1 MET A 511 8.229 7.099 -2.926 1.00 0.00 H new ATOM 0 HE2 MET A 511 8.740 8.323 -1.740 1.00 0.00 H new ATOM 0 HE3 MET A 511 9.937 7.593 -2.836 1.00 0.00 H new ATOM 1361 N HIS A 512 6.167 8.238 -1.078 1.00 0.00 N ATOM 1362 CA HIS A 512 5.027 7.716 -1.813 1.00 0.00 C ATOM 1363 C HIS A 512 5.461 7.124 -3.153 1.00 0.00 C ATOM 1364 O HIS A 512 6.179 7.764 -3.920 1.00 0.00 O ATOM 1365 CB HIS A 512 4.006 8.827 -2.069 1.00 0.00 C ATOM 1366 CG HIS A 512 3.114 9.132 -0.905 1.00 0.00 C ATOM 1367 ND1 HIS A 512 3.573 9.638 0.293 1.00 0.00 N ATOM 1368 CD2 HIS A 512 1.771 9.027 -0.775 1.00 0.00 C ATOM 1369 CE1 HIS A 512 2.548 9.832 1.107 1.00 0.00 C ATOM 1370 NE2 HIS A 512 1.446 9.469 0.482 1.00 0.00 N ATOM 0 H HIS A 512 6.702 8.943 -1.586 1.00 0.00 H new ATOM 0 HA HIS A 512 4.575 6.931 -1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 512 4.539 9.735 -2.350 1.00 0.00 H new ATOM 0 HB3 HIS A 512 3.387 8.545 -2.921 1.00 0.00 H new ATOM 0 HD1 HIS A 512 4.549 9.832 0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 512 1.082 8.662 -1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 512 2.605 10.222 2.113 1.00 0.00 H new ATOM 1379 N PHE A 513 5.008 5.911 -3.437 1.00 0.00 N ATOM 1380 CA PHE A 513 5.331 5.244 -4.687 1.00 0.00 C ATOM 1381 C PHE A 513 4.120 5.271 -5.613 1.00 0.00 C ATOM 1382 O PHE A 513 3.029 4.859 -5.225 1.00 0.00 O ATOM 1383 CB PHE A 513 5.759 3.800 -4.414 1.00 0.00 C ATOM 1384 CG PHE A 513 5.763 3.435 -2.957 1.00 0.00 C ATOM 1385 CD1 PHE A 513 6.802 3.840 -2.137 1.00 0.00 C ATOM 1386 CD2 PHE A 513 4.728 2.698 -2.406 1.00 0.00 C ATOM 1387 CE1 PHE A 513 6.811 3.515 -0.794 1.00 0.00 C ATOM 1388 CE2 PHE A 513 4.730 2.371 -1.065 1.00 0.00 C ATOM 1389 CZ PHE A 513 5.773 2.779 -0.258 1.00 0.00 C ATOM 0 H PHE A 513 4.412 5.367 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 513 6.156 5.767 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 513 5.089 3.125 -4.946 1.00 0.00 H new ATOM 0 HB3 PHE A 513 6.758 3.644 -4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 513 7.615 4.417 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 513 3.910 2.375 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 513 7.628 3.836 -0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 513 3.916 1.796 -0.648 1.00 0.00 H new ATOM 0 HZ PHE A 513 5.777 2.523 0.791 1.00 0.00 H new ATOM 1399 N SER A 514 4.293 5.780 -6.829 1.00 0.00 N ATOM 1400 CA SER A 514 3.175 5.863 -7.759 1.00 0.00 C ATOM 1401 C SER A 514 3.587 6.366 -9.137 1.00 0.00 C ATOM 1402 O SER A 514 4.697 6.861 -9.335 1.00 0.00 O ATOM 1403 CB SER A 514 2.103 6.780 -7.184 1.00 0.00 C ATOM 1404 OG SER A 514 0.810 6.250 -7.401 1.00 0.00 O ATOM 0 H SER A 514 5.180 6.135 -7.188 1.00 0.00 H new ATOM 0 HA SER A 514 2.789 4.852 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 514 2.270 6.914 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 514 2.178 7.765 -7.644 1.00 0.00 H new ATOM 0 HG SER A 514 0.315 6.835 -8.012 1.00 0.00 H new ATOM 1410 N LEU A 515 2.655 6.250 -10.081 1.00 0.00 N ATOM 1411 CA LEU A 515 2.859 6.700 -11.440 1.00 0.00 C ATOM 1412 C LEU A 515 1.778 7.707 -11.797 1.00 0.00 C ATOM 1413 O LEU A 515 0.807 7.864 -11.057 1.00 0.00 O ATOM 1414 CB LEU A 515 2.836 5.534 -12.436 1.00 0.00 C ATOM 1415 CG LEU A 515 1.581 4.666 -12.383 1.00 0.00 C ATOM 1416 CD1 LEU A 515 1.454 3.807 -13.632 1.00 0.00 C ATOM 1417 CD2 LEU A 515 1.613 3.796 -11.146 1.00 0.00 C ATOM 0 H LEU A 515 1.736 5.838 -9.915 1.00 0.00 H new ATOM 0 HA LEU A 515 3.843 7.164 -11.503 1.00 0.00 H new ATOM 0 HB2 LEU A 515 2.940 5.935 -13.444 1.00 0.00 H new ATOM 0 HB3 LEU A 515 3.705 4.902 -12.253 1.00 0.00 H new ATOM 0 HG LEU A 515 0.711 5.321 -12.339 1.00 0.00 H new ATOM 0 HD11 LEU A 515 0.551 3.200 -13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 515 1.396 4.449 -14.511 1.00 0.00 H new ATOM 0 HD13 LEU A 515 2.324 3.156 -13.716 1.00 0.00 H new ATOM 0 HD21 LEU A 515 0.716 3.178 -11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 515 2.494 3.155 -11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 515 1.653 4.427 -10.258 1.00 0.00 H new ATOM 1429 N LYS A 516 1.936 8.386 -12.920 1.00 0.00 N ATOM 1430 CA LYS A 516 0.949 9.365 -13.334 1.00 0.00 C ATOM 1431 C LYS A 516 0.557 9.177 -14.792 1.00 0.00 C ATOM 1432 O LYS A 516 1.325 9.490 -15.702 1.00 0.00 O ATOM 1433 CB LYS A 516 1.444 10.788 -13.088 1.00 0.00 C ATOM 1434 CG LYS A 516 2.835 10.847 -12.502 1.00 0.00 C ATOM 1435 CD LYS A 516 3.868 10.408 -13.519 1.00 0.00 C ATOM 1436 CE LYS A 516 5.033 9.681 -12.862 1.00 0.00 C ATOM 1437 NZ LYS A 516 5.321 8.380 -13.526 1.00 0.00 N ATOM 0 H LYS A 516 2.728 8.279 -13.554 1.00 0.00 H new ATOM 0 HA LYS A 516 0.059 9.206 -12.725 1.00 0.00 H new ATOM 0 HB2 LYS A 516 1.431 11.337 -14.030 1.00 0.00 H new ATOM 0 HB3 LYS A 516 0.752 11.294 -12.414 1.00 0.00 H new ATOM 0 HG2 LYS A 516 3.052 11.863 -12.172 1.00 0.00 H new ATOM 0 HG3 LYS A 516 2.891 10.207 -11.621 1.00 0.00 H new ATOM 0 HD2 LYS A 516 3.399 9.754 -14.254 1.00 0.00 H new ATOM 0 HD3 LYS A 516 4.240 11.279 -14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 516 5.921 10.312 -12.898 1.00 0.00 H new ATOM 0 HE3 LYS A 516 4.807 9.509 -11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 516 6.172 7.956 -13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 516 4.514 7.738 -13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 516 5.479 8.536 -14.542 1.00 0.00 H new ATOM 1451 N GLU A 517 -0.649 8.660 -15.006 1.00 0.00 N ATOM 1452 CA GLU A 517 -1.155 8.425 -16.343 1.00 0.00 C ATOM 1453 C GLU A 517 -1.239 9.726 -17.133 1.00 0.00 C ATOM 1454 O GLU A 517 -0.915 10.788 -16.560 1.00 0.00 O ATOM 1455 CB GLU A 517 -2.531 7.769 -16.262 1.00 0.00 C ATOM 1456 CG GLU A 517 -3.459 8.416 -15.245 1.00 0.00 C ATOM 1457 CD GLU A 517 -4.915 8.060 -15.474 1.00 0.00 C ATOM 1458 OE1 GLU A 517 -5.177 7.008 -16.096 1.00 0.00 O ATOM 1459 OE2 GLU A 517 -5.792 8.831 -15.033 1.00 0.00 O ATOM 1460 OXT GLU A 517 -1.629 9.674 -18.319 1.00 0.00 O ATOM 0 H GLU A 517 -1.294 8.396 -14.261 1.00 0.00 H new ATOM 0 HA GLU A 517 -0.466 7.760 -16.863 1.00 0.00 H new ATOM 0 HB2 GLU A 517 -3.000 7.808 -17.245 1.00 0.00 H new ATOM 0 HB3 GLU A 517 -2.407 6.716 -16.009 1.00 0.00 H new ATOM 0 HG2 GLU A 517 -3.166 8.105 -14.242 1.00 0.00 H new ATOM 0 HG3 GLU A 517 -3.342 9.499 -15.290 1.00 0.00 H new