USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -1.86 K(o=-1.9,f=-7.3!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.117 (180deg=-0.643) USER MOD Single : B 552 SER OG : rot -50:sc= 0.143 USER MOD Single : B 556 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : B 558 GLN : amide:sc= -2.26 K(o=-2.3,f=-3!) USER MOD Single : B 559 LYS NZ :NH3+ -167:sc= -0.224 (180deg=-0.461) USER MOD Single : B 560 GLN : amide:sc= -2.87 K(o=-2.9,f=-2.3!) USER MOD Single : B 561 MET CE :methyl -120:sc= -2.43! (180deg=-4.5!) USER MOD Single : B 571 GLN : amide:sc= -1.57 K(o=-1.6,f=-3) USER MOD Single : B 573 MET CE :methyl -138:sc= -2.21 (180deg=-6.91!) USER MOD Single : B 574 HIS : no HD1:sc= -7.66! C(o=-7.7!,f=-6.8!) USER MOD Single : B 576 THR OG1 : rot 180:sc= -0.821 USER MOD Single : B 580 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 582 THR OG1 : rot 180:sc= -0.736 USER MOD Single : B 584 MET CE :methyl 155:sc= -11.3! (180deg=-13.4!) USER MOD Single : B 590 ASN : amide:sc= -1.36 K(o=-1.4,f=-3.8!) USER MOD Single : B 591 SER OG : rot 180:sc= 0 USER MOD Single : B 595 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : B 596 MET CE :methyl -171:sc= -2.24 (180deg=-2.56) USER MOD Single : B 599 SER OG : rot 180:sc= -0.803 USER MOD Single : B 602 SER OG : rot 180:sc= 0 USER MOD Single : B 605 SER OG : rot 53:sc= 0.847 USER MOD Single : B 606 LYS NZ :NH3+ 175:sc= -0.859 (180deg=-0.981) USER MOD Single : B 615 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 68 7.198 -1.110 -8.356 1.00 0.00 N ATOM 67 CA GLN A 68 7.061 -0.528 -9.686 1.00 0.00 C ATOM 68 C GLN A 68 5.701 0.143 -9.849 1.00 0.00 C ATOM 69 O GLN A 68 4.666 -0.524 -9.865 1.00 0.00 O ATOM 70 CB GLN A 68 7.245 -1.603 -10.758 1.00 0.00 C ATOM 71 CG GLN A 68 6.826 -1.152 -12.149 1.00 0.00 C ATOM 72 CD GLN A 68 7.297 -2.100 -13.235 1.00 0.00 C ATOM 73 OE1 GLN A 68 6.534 -2.937 -13.717 1.00 0.00 O ATOM 74 NE2 GLN A 68 8.559 -1.972 -13.626 1.00 0.00 N ATOM 0 HA GLN A 68 7.836 0.229 -9.805 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.292 -1.904 -10.783 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.666 -2.484 -10.481 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.740 -1.070 -12.189 1.00 0.00 H new ATOM 0 HG3 GLN A 68 7.228 -0.157 -12.341 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.156 -1.264 -13.199 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.932 -2.582 -14.354 1.00 0.00 H new ATOM 83 N LEU A 69 5.710 1.466 -9.968 1.00 0.00 N ATOM 84 CA LEU A 69 4.477 2.228 -10.130 1.00 0.00 C ATOM 85 C LEU A 69 4.478 2.992 -11.450 1.00 0.00 C ATOM 86 O LEU A 69 5.402 2.864 -12.252 1.00 0.00 O ATOM 87 CB LEU A 69 4.300 3.203 -8.964 1.00 0.00 C ATOM 88 CG LEU A 69 5.509 4.078 -8.631 1.00 0.00 C ATOM 89 CD1 LEU A 69 5.282 5.504 -9.108 1.00 0.00 C ATOM 90 CD2 LEU A 69 5.791 4.052 -7.136 1.00 0.00 C ATOM 0 H LEU A 69 6.558 2.033 -9.955 1.00 0.00 H new ATOM 0 HA LEU A 69 3.644 1.526 -10.139 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.455 3.855 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.035 2.631 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 69 6.379 3.676 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.152 6.113 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.130 5.507 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.401 5.916 -8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.655 4.680 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.923 4.428 -6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.998 3.029 -6.823 1.00 0.00 H new ATOM 102 N ASN A 70 3.436 3.789 -11.667 1.00 0.00 N ATOM 103 CA ASN A 70 3.318 4.575 -12.890 1.00 0.00 C ATOM 104 C ASN A 70 3.763 6.015 -12.656 1.00 0.00 C ATOM 105 O ASN A 70 3.407 6.631 -11.651 1.00 0.00 O ATOM 106 CB ASN A 70 1.875 4.552 -13.398 1.00 0.00 C ATOM 107 CG ASN A 70 0.915 5.239 -12.445 1.00 0.00 C ATOM 108 OD1 ASN A 70 1.082 5.177 -11.227 1.00 0.00 O ATOM 109 ND2 ASN A 70 -0.096 5.899 -12.997 1.00 0.00 N ATOM 0 H ASN A 70 2.662 3.907 -11.013 1.00 0.00 H new ATOM 0 HA ASN A 70 3.969 4.130 -13.643 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.828 5.040 -14.371 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.561 3.519 -13.544 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.773 6.381 -12.406 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -0.195 5.924 -14.012 1.00 0.00 H new ATOM 116 N VAL A 71 4.545 6.547 -13.591 1.00 0.00 N ATOM 117 CA VAL A 71 5.038 7.915 -13.488 1.00 0.00 C ATOM 118 C VAL A 71 4.022 8.909 -14.040 1.00 0.00 C ATOM 119 O VAL A 71 4.036 10.087 -13.687 1.00 0.00 O ATOM 120 CB VAL A 71 6.371 8.089 -14.240 1.00 0.00 C ATOM 121 CG1 VAL A 71 6.178 7.851 -15.730 1.00 0.00 C ATOM 122 CG2 VAL A 71 6.950 9.472 -13.983 1.00 0.00 C ATOM 0 H VAL A 71 4.850 6.051 -14.428 1.00 0.00 H new ATOM 0 HA VAL A 71 5.198 8.115 -12.428 1.00 0.00 H new ATOM 0 HB VAL A 71 7.079 7.349 -13.867 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.130 7.978 -16.245 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.810 6.838 -15.892 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.455 8.566 -16.122 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.892 9.578 -14.522 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.247 10.230 -14.328 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.127 9.600 -12.915 1.00 0.00 H new ATOM 132 N ASN A 72 3.140 8.424 -14.908 1.00 0.00 N ATOM 133 CA ASN A 72 2.116 9.270 -15.510 1.00 0.00 C ATOM 134 C ASN A 72 1.068 9.674 -14.477 1.00 0.00 C ATOM 135 O ASN A 72 0.237 10.546 -14.729 1.00 0.00 O ATOM 136 CB ASN A 72 1.444 8.542 -16.676 1.00 0.00 C ATOM 137 CG ASN A 72 2.109 8.842 -18.005 1.00 0.00 C ATOM 138 OD1 ASN A 72 1.598 9.628 -18.804 1.00 0.00 O ATOM 139 ND2 ASN A 72 3.254 8.215 -18.249 1.00 0.00 N ATOM 0 H ASN A 72 3.114 7.450 -15.210 1.00 0.00 H new ATOM 0 HA ASN A 72 2.599 10.173 -15.884 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.471 7.468 -16.494 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.394 8.831 -16.725 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.747 8.376 -19.127 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.641 7.572 -17.558 1.00 0.00 H new ATOM 146 N ALA A 73 1.116 9.035 -13.312 1.00 0.00 N ATOM 147 CA ALA A 73 0.174 9.330 -12.240 1.00 0.00 C ATOM 148 C ALA A 73 0.200 10.811 -11.878 1.00 0.00 C ATOM 149 O ALA A 73 1.251 11.361 -11.548 1.00 0.00 O ATOM 150 CB ALA A 73 0.483 8.480 -11.017 1.00 0.00 C ATOM 0 H ALA A 73 1.797 8.310 -13.087 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.828 9.087 -12.594 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.229 8.711 -10.224 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.405 7.425 -11.278 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.494 8.694 -10.671 1.00 0.00 H new ATOM 156 N LYS A 74 -0.962 11.452 -11.942 1.00 0.00 N ATOM 157 CA LYS A 74 -1.073 12.869 -11.620 1.00 0.00 C ATOM 158 C LYS A 74 -0.446 13.170 -10.263 1.00 0.00 C ATOM 159 O LYS A 74 -0.304 12.294 -9.410 1.00 0.00 O ATOM 160 CB LYS A 74 -2.542 13.300 -11.622 1.00 0.00 C ATOM 161 CG LYS A 74 -3.464 12.319 -10.918 1.00 0.00 C ATOM 162 CD LYS A 74 -4.804 12.954 -10.586 1.00 0.00 C ATOM 163 CE LYS A 74 -5.537 12.175 -9.505 1.00 0.00 C ATOM 164 NZ LYS A 74 -4.765 12.133 -8.232 1.00 0.00 N ATOM 0 H LYS A 74 -1.841 11.012 -12.214 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.534 13.432 -12.382 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.627 14.275 -11.141 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.875 13.423 -12.653 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.621 11.446 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.990 11.966 -10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.649 13.981 -10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.419 12.999 -11.485 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.510 12.632 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.721 11.158 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.414 11.957 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.060 11.370 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.281 13.043 -8.089 1.00 0.00 H new ATOM 178 N PRO A 75 -0.062 14.438 -10.055 1.00 0.00 N ATOM 179 CA PRO A 75 0.555 14.884 -8.802 1.00 0.00 C ATOM 180 C PRO A 75 -0.433 14.889 -7.640 1.00 0.00 C ATOM 181 O PRO A 75 -0.569 13.898 -6.924 1.00 0.00 O ATOM 182 CB PRO A 75 1.014 16.309 -9.120 1.00 0.00 C ATOM 183 CG PRO A 75 0.113 16.762 -10.217 1.00 0.00 C ATOM 184 CD PRO A 75 -0.201 15.535 -11.028 1.00 0.00 C ATOM 0 HA PRO A 75 1.362 14.223 -8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.930 16.956 -8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.058 16.328 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.797 17.208 -9.816 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.597 17.522 -10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.207 15.576 -11.446 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.488 15.419 -11.865 1.00 0.00 H new ATOM 192 N PHE A 76 -1.120 16.012 -7.459 1.00 0.00 N ATOM 193 CA PHE A 76 -2.095 16.147 -6.383 1.00 0.00 C ATOM 194 C PHE A 76 -2.877 17.451 -6.517 1.00 0.00 C ATOM 195 O PHE A 76 -2.791 18.137 -7.536 1.00 0.00 O ATOM 196 CB PHE A 76 -1.396 16.096 -5.023 1.00 0.00 C ATOM 197 CG PHE A 76 -0.510 17.281 -4.760 1.00 0.00 C ATOM 198 CD1 PHE A 76 0.680 17.440 -5.452 1.00 0.00 C ATOM 199 CD2 PHE A 76 -0.867 18.234 -3.820 1.00 0.00 C ATOM 200 CE1 PHE A 76 1.497 18.529 -5.212 1.00 0.00 C ATOM 201 CE2 PHE A 76 -0.055 19.325 -3.577 1.00 0.00 C ATOM 202 CZ PHE A 76 1.129 19.472 -4.273 1.00 0.00 C ATOM 0 H PHE A 76 -1.020 16.842 -8.044 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.795 15.315 -6.455 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.150 16.034 -4.238 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.799 15.186 -4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.972 16.705 -6.187 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.790 18.123 -3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.422 18.642 -5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.346 20.062 -2.843 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.766 20.323 -4.083 1.00 0.00 H new ATOM 212 N VAL A 77 -3.640 17.785 -5.482 1.00 0.00 N ATOM 213 CA VAL A 77 -4.437 19.006 -5.483 1.00 0.00 C ATOM 214 C VAL A 77 -3.876 20.030 -4.502 1.00 0.00 C ATOM 215 O VAL A 77 -4.327 20.147 -3.363 1.00 0.00 O ATOM 216 CB VAL A 77 -5.906 18.717 -5.121 1.00 0.00 C ATOM 217 CG1 VAL A 77 -6.702 20.011 -5.046 1.00 0.00 C ATOM 218 CG2 VAL A 77 -6.525 17.760 -6.128 1.00 0.00 C ATOM 0 H VAL A 77 -3.723 17.227 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.392 19.412 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.933 18.243 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.737 19.787 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.271 20.660 -4.283 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.669 20.515 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.563 17.567 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.487 18.204 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.970 16.822 -6.128 1.00 0.00 H new ATOM 228 N PRO A 78 -2.867 20.790 -4.954 1.00 0.00 N ATOM 229 CA PRO A 78 -2.222 21.819 -4.133 1.00 0.00 C ATOM 230 C PRO A 78 -3.136 23.012 -3.875 1.00 0.00 C ATOM 231 O PRO A 78 -4.268 23.054 -4.356 1.00 0.00 O ATOM 232 CB PRO A 78 -1.016 22.241 -4.976 1.00 0.00 C ATOM 233 CG PRO A 78 -1.406 21.926 -6.379 1.00 0.00 C ATOM 234 CD PRO A 78 -2.279 20.704 -6.301 1.00 0.00 C ATOM 0 HA PRO A 78 -1.958 21.445 -3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.800 23.302 -4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.118 21.697 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.942 22.760 -6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.527 21.739 -6.996 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.046 20.708 -7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.701 19.789 -6.430 1.00 0.00 H new ATOM 424 N LEU B 550 -6.184 14.217 9.004 1.00 0.00 N ATOM 425 CA LEU B 550 -6.991 13.651 7.929 1.00 0.00 C ATOM 426 C LEU B 550 -8.135 12.812 8.491 1.00 0.00 C ATOM 427 O LEU B 550 -8.621 11.890 7.837 1.00 0.00 O ATOM 428 CB LEU B 550 -6.121 12.795 7.007 1.00 0.00 C ATOM 429 CG LEU B 550 -5.314 13.553 5.952 1.00 0.00 C ATOM 430 CD1 LEU B 550 -4.091 14.203 6.581 1.00 0.00 C ATOM 431 CD2 LEU B 550 -4.902 12.619 4.824 1.00 0.00 C ATOM 0 HA LEU B 550 -7.416 14.475 7.355 1.00 0.00 H new ATOM 0 HB2 LEU B 550 -5.428 12.222 7.623 1.00 0.00 H new ATOM 0 HB3 LEU B 550 -6.764 12.077 6.498 1.00 0.00 H new ATOM 0 HG LEU B 550 -5.944 14.339 5.535 1.00 0.00 H new ATOM 0 HD11 LEU B 550 -3.529 14.738 5.815 1.00 0.00 H new ATOM 0 HD12 LEU B 550 -4.408 14.903 7.354 1.00 0.00 H new ATOM 0 HD13 LEU B 550 -3.458 13.434 7.025 1.00 0.00 H new ATOM 0 HD21 LEU B 550 -4.329 13.175 4.082 1.00 0.00 H new ATOM 0 HD22 LEU B 550 -4.289 11.812 5.225 1.00 0.00 H new ATOM 0 HD23 LEU B 550 -5.792 12.200 4.355 1.00 0.00 H new ATOM 443 N ALA B 551 -8.560 13.139 9.707 1.00 0.00 N ATOM 444 CA ALA B 551 -9.649 12.419 10.355 1.00 0.00 C ATOM 445 C ALA B 551 -10.950 13.213 10.287 1.00 0.00 C ATOM 446 O ALA B 551 -11.968 12.714 9.809 1.00 0.00 O ATOM 447 CB ALA B 551 -9.291 12.111 11.801 1.00 0.00 C ATOM 0 H ALA B 551 -8.166 13.898 10.263 1.00 0.00 H new ATOM 0 HA ALA B 551 -9.799 11.480 9.822 1.00 0.00 H new ATOM 0 HB1 ALA B 551 -10.113 11.573 12.273 1.00 0.00 H new ATOM 0 HB2 ALA B 551 -8.391 11.496 11.830 1.00 0.00 H new ATOM 0 HB3 ALA B 551 -9.112 13.043 12.338 1.00 0.00 H new ATOM 453 N SER B 552 -10.907 14.451 10.769 1.00 0.00 N ATOM 454 CA SER B 552 -12.084 15.312 10.767 1.00 0.00 C ATOM 455 C SER B 552 -12.056 16.267 9.577 1.00 0.00 C ATOM 456 O SER B 552 -12.655 17.342 9.616 1.00 0.00 O ATOM 457 CB SER B 552 -12.162 16.107 12.072 1.00 0.00 C ATOM 458 OG SER B 552 -13.470 16.611 12.285 1.00 0.00 O ATOM 0 H SER B 552 -10.071 14.880 11.165 1.00 0.00 H new ATOM 0 HA SER B 552 -12.967 14.679 10.682 1.00 0.00 H new ATOM 0 HB2 SER B 552 -11.874 15.469 12.908 1.00 0.00 H new ATOM 0 HB3 SER B 552 -11.451 16.933 12.041 1.00 0.00 H new ATOM 0 HG SER B 552 -13.780 17.068 11.475 1.00 0.00 H new ATOM 464 N ALA B 553 -11.357 15.866 8.521 1.00 0.00 N ATOM 465 CA ALA B 553 -11.252 16.684 7.319 1.00 0.00 C ATOM 466 C ALA B 553 -11.873 15.977 6.118 1.00 0.00 C ATOM 467 O ALA B 553 -12.057 14.760 6.111 1.00 0.00 O ATOM 468 CB ALA B 553 -9.796 17.025 7.038 1.00 0.00 C ATOM 0 H ALA B 553 -10.855 14.980 8.473 1.00 0.00 H new ATOM 0 HA ALA B 553 -11.804 17.608 7.489 1.00 0.00 H new ATOM 0 HB1 ALA B 553 -9.733 17.636 6.138 1.00 0.00 H new ATOM 0 HB2 ALA B 553 -9.382 17.578 7.882 1.00 0.00 H new ATOM 0 HB3 ALA B 553 -9.228 16.106 6.893 1.00 0.00 H new ATOM 474 N PRO B 554 -12.204 16.756 5.078 1.00 0.00 N ATOM 475 CA PRO B 554 -12.809 16.226 3.853 1.00 0.00 C ATOM 476 C PRO B 554 -11.830 15.388 3.039 1.00 0.00 C ATOM 477 O PRO B 554 -10.624 15.383 3.286 1.00 0.00 O ATOM 478 CB PRO B 554 -13.206 17.486 3.079 1.00 0.00 C ATOM 479 CG PRO B 554 -12.280 18.542 3.575 1.00 0.00 C ATOM 480 CD PRO B 554 -12.013 18.215 5.018 1.00 0.00 C ATOM 0 HA PRO B 554 -13.645 15.560 4.067 1.00 0.00 H new ATOM 0 HB2 PRO B 554 -13.101 17.340 2.004 1.00 0.00 H new ATOM 0 HB3 PRO B 554 -14.246 17.753 3.264 1.00 0.00 H new ATOM 0 HG2 PRO B 554 -11.354 18.551 2.999 1.00 0.00 H new ATOM 0 HG3 PRO B 554 -12.727 19.531 3.475 1.00 0.00 H new ATOM 0 HD2 PRO B 554 -11.004 18.501 5.315 1.00 0.00 H new ATOM 0 HD3 PRO B 554 -12.701 18.738 5.683 1.00 0.00 H new ATOM 488 N PRO B 555 -12.358 14.660 2.043 1.00 0.00 N ATOM 489 CA PRO B 555 -11.547 13.805 1.171 1.00 0.00 C ATOM 490 C PRO B 555 -10.651 14.612 0.238 1.00 0.00 C ATOM 491 O PRO B 555 -9.761 14.063 -0.410 1.00 0.00 O ATOM 492 CB PRO B 555 -12.591 13.025 0.368 1.00 0.00 C ATOM 493 CG PRO B 555 -13.799 13.897 0.371 1.00 0.00 C ATOM 494 CD PRO B 555 -13.787 14.617 1.691 1.00 0.00 C ATOM 0 HA PRO B 555 -10.867 13.172 1.740 1.00 0.00 H new ATOM 0 HB2 PRO B 555 -12.245 12.831 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO B 555 -12.800 12.057 0.824 1.00 0.00 H new ATOM 0 HG2 PRO B 555 -13.773 14.603 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO B 555 -14.707 13.306 0.257 1.00 0.00 H new ATOM 0 HD2 PRO B 555 -14.210 15.618 1.607 1.00 0.00 H new ATOM 0 HD3 PRO B 555 -14.370 14.086 2.443 1.00 0.00 H new ATOM 502 N GLN B 556 -10.892 15.918 0.176 1.00 0.00 N ATOM 503 CA GLN B 556 -10.106 16.800 -0.679 1.00 0.00 C ATOM 504 C GLN B 556 -8.943 17.412 0.094 1.00 0.00 C ATOM 505 O GLN B 556 -7.809 17.431 -0.384 1.00 0.00 O ATOM 506 CB GLN B 556 -10.990 17.907 -1.255 1.00 0.00 C ATOM 507 CG GLN B 556 -12.124 17.389 -2.125 1.00 0.00 C ATOM 508 CD GLN B 556 -12.882 18.503 -2.821 1.00 0.00 C ATOM 509 OE1 GLN B 556 -12.289 19.477 -3.285 1.00 0.00 O ATOM 510 NE2 GLN B 556 -14.200 18.364 -2.897 1.00 0.00 N ATOM 0 H GLN B 556 -11.625 16.388 0.707 1.00 0.00 H new ATOM 0 HA GLN B 556 -9.701 16.205 -1.498 1.00 0.00 H new ATOM 0 HB2 GLN B 556 -11.409 18.489 -0.435 1.00 0.00 H new ATOM 0 HB3 GLN B 556 -10.372 18.585 -1.844 1.00 0.00 H new ATOM 0 HG2 GLN B 556 -11.720 16.707 -2.873 1.00 0.00 H new ATOM 0 HG3 GLN B 556 -12.815 16.814 -1.509 1.00 0.00 H new ATOM 0 HE21 GLN B 556 -14.650 17.540 -2.498 1.00 0.00 H new ATOM 0 HE22 GLN B 556 -14.763 19.081 -3.354 1.00 0.00 H new ATOM 519 N GLU B 557 -9.232 17.912 1.292 1.00 0.00 N ATOM 520 CA GLU B 557 -8.210 18.527 2.130 1.00 0.00 C ATOM 521 C GLU B 557 -7.093 17.535 2.441 1.00 0.00 C ATOM 522 O GLU B 557 -5.960 17.928 2.718 1.00 0.00 O ATOM 523 CB GLU B 557 -8.827 19.041 3.432 1.00 0.00 C ATOM 524 CG GLU B 557 -9.554 20.367 3.279 1.00 0.00 C ATOM 525 CD GLU B 557 -10.183 20.839 4.575 1.00 0.00 C ATOM 526 OE1 GLU B 557 -9.490 20.821 5.614 1.00 0.00 O ATOM 527 OE2 GLU B 557 -11.370 21.228 4.550 1.00 0.00 O ATOM 0 H GLU B 557 -10.165 17.903 1.703 1.00 0.00 H new ATOM 0 HA GLU B 557 -7.785 19.368 1.582 1.00 0.00 H new ATOM 0 HB2 GLU B 557 -9.525 18.295 3.813 1.00 0.00 H new ATOM 0 HB3 GLU B 557 -8.040 19.152 4.178 1.00 0.00 H new ATOM 0 HG2 GLU B 557 -8.853 21.122 2.923 1.00 0.00 H new ATOM 0 HG3 GLU B 557 -10.329 20.267 2.519 1.00 0.00 H new ATOM 534 N GLN B 558 -7.422 16.248 2.393 1.00 0.00 N ATOM 535 CA GLN B 558 -6.447 15.200 2.670 1.00 0.00 C ATOM 536 C GLN B 558 -5.220 15.347 1.777 1.00 0.00 C ATOM 537 O GLN B 558 -4.142 15.721 2.241 1.00 0.00 O ATOM 538 CB GLN B 558 -7.077 13.821 2.467 1.00 0.00 C ATOM 539 CG GLN B 558 -8.287 13.568 3.353 1.00 0.00 C ATOM 540 CD GLN B 558 -8.276 12.186 3.975 1.00 0.00 C ATOM 541 OE1 GLN B 558 -7.671 11.256 3.440 1.00 0.00 O ATOM 542 NE2 GLN B 558 -8.946 12.043 5.113 1.00 0.00 N ATOM 0 H GLN B 558 -8.356 15.906 2.165 1.00 0.00 H new ATOM 0 HA GLN B 558 -6.132 15.299 3.709 1.00 0.00 H new ATOM 0 HB2 GLN B 558 -7.373 13.716 1.423 1.00 0.00 H new ATOM 0 HB3 GLN B 558 -6.327 13.055 2.664 1.00 0.00 H new ATOM 0 HG2 GLN B 558 -8.317 14.318 4.144 1.00 0.00 H new ATOM 0 HG3 GLN B 558 -9.196 13.690 2.764 1.00 0.00 H new ATOM 0 HE21 GLN B 558 -9.433 12.840 5.522 1.00 0.00 H new ATOM 0 HE22 GLN B 558 -8.973 11.136 5.578 1.00 0.00 H new ATOM 551 N LYS B 559 -5.390 15.051 0.493 1.00 0.00 N ATOM 552 CA LYS B 559 -4.297 15.151 -0.467 1.00 0.00 C ATOM 553 C LYS B 559 -3.629 16.520 -0.391 1.00 0.00 C ATOM 554 O LYS B 559 -2.425 16.646 -0.609 1.00 0.00 O ATOM 555 CB LYS B 559 -4.813 14.901 -1.886 1.00 0.00 C ATOM 556 CG LYS B 559 -6.078 15.672 -2.218 1.00 0.00 C ATOM 557 CD LYS B 559 -6.497 15.462 -3.663 1.00 0.00 C ATOM 558 CE LYS B 559 -7.935 15.900 -3.896 1.00 0.00 C ATOM 559 NZ LYS B 559 -8.503 15.302 -5.136 1.00 0.00 N ATOM 0 H LYS B 559 -6.275 14.740 0.093 1.00 0.00 H new ATOM 0 HA LYS B 559 -3.557 14.391 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS B 559 -4.035 15.172 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS B 559 -5.004 13.835 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS B 559 -6.883 15.354 -1.555 1.00 0.00 H new ATOM 0 HG3 LYS B 559 -5.916 16.734 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS B 559 -5.833 16.024 -4.321 1.00 0.00 H new ATOM 0 HD3 LYS B 559 -6.389 14.409 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS B 559 -8.546 15.611 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS B 559 -7.977 16.987 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 559 -9.391 15.786 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 559 -7.824 15.410 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 559 -8.692 14.291 -4.979 1.00 0.00 H new ATOM 573 N GLN B 560 -4.420 17.542 -0.079 1.00 0.00 N ATOM 574 CA GLN B 560 -3.904 18.902 0.027 1.00 0.00 C ATOM 575 C GLN B 560 -2.873 19.008 1.146 1.00 0.00 C ATOM 576 O GLN B 560 -1.688 19.223 0.892 1.00 0.00 O ATOM 577 CB GLN B 560 -5.048 19.886 0.277 1.00 0.00 C ATOM 578 CG GLN B 560 -5.920 20.128 -0.944 1.00 0.00 C ATOM 579 CD GLN B 560 -7.338 20.523 -0.580 1.00 0.00 C ATOM 580 OE1 GLN B 560 -7.559 21.301 0.348 1.00 0.00 O ATOM 581 NE2 GLN B 560 -8.308 19.987 -1.311 1.00 0.00 N ATOM 0 H GLN B 560 -5.419 17.454 0.105 1.00 0.00 H new ATOM 0 HA GLN B 560 -3.417 19.153 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN B 560 -5.670 19.508 1.088 1.00 0.00 H new ATOM 0 HB3 GLN B 560 -4.632 20.837 0.610 1.00 0.00 H new ATOM 0 HG2 GLN B 560 -5.474 20.913 -1.555 1.00 0.00 H new ATOM 0 HG3 GLN B 560 -5.944 19.225 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN B 560 -8.079 19.347 -2.071 1.00 0.00 H new ATOM 0 HE22 GLN B 560 -9.282 20.216 -1.112 1.00 0.00 H new ATOM 590 N MET B 561 -3.332 18.855 2.383 1.00 0.00 N ATOM 591 CA MET B 561 -2.449 18.933 3.541 1.00 0.00 C ATOM 592 C MET B 561 -1.374 17.852 3.478 1.00 0.00 C ATOM 593 O MET B 561 -0.179 18.147 3.531 1.00 0.00 O ATOM 594 CB MET B 561 -3.254 18.792 4.834 1.00 0.00 C ATOM 595 CG MET B 561 -4.421 19.761 4.931 1.00 0.00 C ATOM 596 SD MET B 561 -5.530 19.378 6.300 1.00 0.00 S ATOM 597 CE MET B 561 -6.182 17.794 5.775 1.00 0.00 C ATOM 0 H MET B 561 -4.310 18.676 2.610 1.00 0.00 H new ATOM 0 HA MET B 561 -1.961 19.908 3.530 1.00 0.00 H new ATOM 0 HB2 MET B 561 -3.632 17.772 4.908 1.00 0.00 H new ATOM 0 HB3 MET B 561 -2.591 18.949 5.685 1.00 0.00 H new ATOM 0 HG2 MET B 561 -4.038 20.774 5.052 1.00 0.00 H new ATOM 0 HG3 MET B 561 -4.983 19.742 3.997 1.00 0.00 H new ATOM 0 HE1 MET B 561 -7.265 17.862 5.672 1.00 0.00 H new ATOM 0 HE2 MET B 561 -5.743 17.520 4.816 1.00 0.00 H new ATOM 0 HE3 MET B 561 -5.936 17.035 6.517 1.00 0.00 H new ATOM 607 N LEU B 562 -1.805 16.601 3.365 1.00 0.00 N ATOM 608 CA LEU B 562 -0.879 15.476 3.295 1.00 0.00 C ATOM 609 C LEU B 562 0.175 15.705 2.216 1.00 0.00 C ATOM 610 O LEU B 562 1.373 15.712 2.496 1.00 0.00 O ATOM 611 CB LEU B 562 -1.641 14.180 3.012 1.00 0.00 C ATOM 612 CG LEU B 562 -0.791 12.914 2.892 1.00 0.00 C ATOM 613 CD1 LEU B 562 -1.563 11.703 3.390 1.00 0.00 C ATOM 614 CD2 LEU B 562 -0.342 12.708 1.452 1.00 0.00 C ATOM 0 H LEU B 562 -2.790 16.340 3.320 1.00 0.00 H new ATOM 0 HA LEU B 562 -0.375 15.391 4.258 1.00 0.00 H new ATOM 0 HB2 LEU B 562 -2.370 14.030 3.808 1.00 0.00 H new ATOM 0 HB3 LEU B 562 -2.201 14.306 2.086 1.00 0.00 H new ATOM 0 HG LEU B 562 0.096 13.034 3.515 1.00 0.00 H new ATOM 0 HD11 LEU B 562 -0.942 10.812 3.297 1.00 0.00 H new ATOM 0 HD12 LEU B 562 -1.834 11.849 4.436 1.00 0.00 H new ATOM 0 HD13 LEU B 562 -2.468 11.578 2.795 1.00 0.00 H new ATOM 0 HD21 LEU B 562 0.262 11.803 1.385 1.00 0.00 H new ATOM 0 HD22 LEU B 562 -1.216 12.609 0.809 1.00 0.00 H new ATOM 0 HD23 LEU B 562 0.251 13.564 1.130 1.00 0.00 H new ATOM 626 N GLY B 563 -0.280 15.893 0.981 1.00 0.00 N ATOM 627 CA GLY B 563 0.637 16.122 -0.120 1.00 0.00 C ATOM 628 C GLY B 563 1.533 17.323 0.111 1.00 0.00 C ATOM 629 O GLY B 563 2.756 17.214 0.037 1.00 0.00 O ATOM 0 H GLY B 563 -1.267 15.891 0.723 1.00 0.00 H new ATOM 0 HA2 GLY B 563 1.254 15.235 -0.265 1.00 0.00 H new ATOM 0 HA3 GLY B 563 0.068 16.268 -1.038 1.00 0.00 H new ATOM 633 N GLU B 564 0.922 18.470 0.389 1.00 0.00 N ATOM 634 CA GLU B 564 1.674 19.696 0.629 1.00 0.00 C ATOM 635 C GLU B 564 2.759 19.472 1.679 1.00 0.00 C ATOM 636 O GLU B 564 3.887 19.944 1.531 1.00 0.00 O ATOM 637 CB GLU B 564 0.735 20.817 1.081 1.00 0.00 C ATOM 638 CG GLU B 564 -0.068 21.432 -0.053 1.00 0.00 C ATOM 639 CD GLU B 564 0.607 22.650 -0.652 1.00 0.00 C ATOM 640 OE1 GLU B 564 0.603 23.714 0.003 1.00 0.00 O ATOM 641 OE2 GLU B 564 1.140 22.540 -1.776 1.00 0.00 O ATOM 0 H GLU B 564 -0.090 18.576 0.454 1.00 0.00 H new ATOM 0 HA GLU B 564 2.152 19.987 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU B 564 0.048 20.424 1.830 1.00 0.00 H new ATOM 0 HB3 GLU B 564 1.322 21.598 1.565 1.00 0.00 H new ATOM 0 HG2 GLU B 564 -0.220 20.685 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU B 564 -1.055 21.713 0.316 1.00 0.00 H new ATOM 648 N ARG B 565 2.409 18.751 2.738 1.00 0.00 N ATOM 649 CA ARG B 565 3.351 18.466 3.814 1.00 0.00 C ATOM 650 C ARG B 565 4.372 17.419 3.379 1.00 0.00 C ATOM 651 O ARG B 565 5.500 17.392 3.874 1.00 0.00 O ATOM 652 CB ARG B 565 2.606 17.981 5.058 1.00 0.00 C ATOM 653 CG ARG B 565 2.108 19.108 5.949 1.00 0.00 C ATOM 654 CD ARG B 565 0.900 18.680 6.766 1.00 0.00 C ATOM 655 NE ARG B 565 0.668 19.566 7.904 1.00 0.00 N ATOM 656 CZ ARG B 565 0.080 20.753 7.804 1.00 0.00 C ATOM 657 NH1 ARG B 565 -0.333 21.194 6.624 1.00 0.00 N ATOM 658 NH2 ARG B 565 -0.096 21.501 8.885 1.00 0.00 N ATOM 0 H ARG B 565 1.480 18.353 2.875 1.00 0.00 H new ATOM 0 HA ARG B 565 3.881 19.388 4.053 1.00 0.00 H new ATOM 0 HB2 ARG B 565 1.757 17.372 4.748 1.00 0.00 H new ATOM 0 HB3 ARG B 565 3.266 17.336 5.638 1.00 0.00 H new ATOM 0 HG2 ARG B 565 2.908 19.424 6.619 1.00 0.00 H new ATOM 0 HG3 ARG B 565 1.847 19.970 5.335 1.00 0.00 H new ATOM 0 HD2 ARG B 565 0.016 18.670 6.128 1.00 0.00 H new ATOM 0 HD3 ARG B 565 1.047 17.661 7.124 1.00 0.00 H new ATOM 0 HE ARG B 565 0.974 19.256 8.826 1.00 0.00 H new ATOM 0 HH11 ARG B 565 -0.200 20.622 5.790 1.00 0.00 H new ATOM 0 HH12 ARG B 565 -0.784 22.106 6.550 1.00 0.00 H new ATOM 0 HH21 ARG B 565 0.220 21.165 9.795 1.00 0.00 H new ATOM 0 HH22 ARG B 565 -0.548 22.412 8.807 1.00 0.00 H new ATOM 672 N LEU B 566 3.970 16.557 2.451 1.00 0.00 N ATOM 673 CA LEU B 566 4.849 15.507 1.949 1.00 0.00 C ATOM 674 C LEU B 566 5.888 16.079 0.989 1.00 0.00 C ATOM 675 O LEU B 566 6.968 15.514 0.818 1.00 0.00 O ATOM 676 CB LEU B 566 4.031 14.422 1.246 1.00 0.00 C ATOM 677 CG LEU B 566 4.034 13.044 1.908 1.00 0.00 C ATOM 678 CD1 LEU B 566 3.073 13.016 3.087 1.00 0.00 C ATOM 679 CD2 LEU B 566 3.672 11.966 0.897 1.00 0.00 C ATOM 0 H LEU B 566 3.041 16.565 2.031 1.00 0.00 H new ATOM 0 HA LEU B 566 5.370 15.067 2.799 1.00 0.00 H new ATOM 0 HB2 LEU B 566 2.999 14.765 1.171 1.00 0.00 H new ATOM 0 HB3 LEU B 566 4.406 14.315 0.228 1.00 0.00 H new ATOM 0 HG LEU B 566 5.039 12.843 2.280 1.00 0.00 H new ATOM 0 HD11 LEU B 566 3.089 12.027 3.546 1.00 0.00 H new ATOM 0 HD12 LEU B 566 3.377 13.762 3.822 1.00 0.00 H new ATOM 0 HD13 LEU B 566 2.064 13.239 2.740 1.00 0.00 H new ATOM 0 HD21 LEU B 566 3.679 10.992 1.386 1.00 0.00 H new ATOM 0 HD22 LEU B 566 2.678 12.163 0.495 1.00 0.00 H new ATOM 0 HD23 LEU B 566 4.399 11.970 0.085 1.00 0.00 H new ATOM 691 N PHE B 567 5.554 17.204 0.367 1.00 0.00 N ATOM 692 CA PHE B 567 6.458 17.854 -0.575 1.00 0.00 C ATOM 693 C PHE B 567 7.848 18.021 0.032 1.00 0.00 C ATOM 694 O PHE B 567 8.846 17.528 -0.494 1.00 0.00 O ATOM 695 CB PHE B 567 5.903 19.219 -0.989 1.00 0.00 C ATOM 696 CG PHE B 567 5.814 19.403 -2.477 1.00 0.00 C ATOM 697 CD1 PHE B 567 6.944 19.292 -3.271 1.00 0.00 C ATOM 698 CD2 PHE B 567 4.600 19.686 -3.082 1.00 0.00 C ATOM 699 CE1 PHE B 567 6.864 19.462 -4.641 1.00 0.00 C ATOM 700 CE2 PHE B 567 4.514 19.856 -4.451 1.00 0.00 C ATOM 701 CZ PHE B 567 5.648 19.743 -5.231 1.00 0.00 C ATOM 0 H PHE B 567 4.664 17.685 0.498 1.00 0.00 H new ATOM 0 HA PHE B 567 6.540 17.220 -1.458 1.00 0.00 H new ATOM 0 HB2 PHE B 567 4.911 19.346 -0.555 1.00 0.00 H new ATOM 0 HB3 PHE B 567 6.536 20.002 -0.571 1.00 0.00 H new ATOM 0 HD1 PHE B 567 7.898 19.070 -2.815 1.00 0.00 H new ATOM 0 HD2 PHE B 567 3.710 19.775 -2.476 1.00 0.00 H new ATOM 0 HE1 PHE B 567 7.752 19.375 -5.249 1.00 0.00 H new ATOM 0 HE2 PHE B 567 3.562 20.077 -4.910 1.00 0.00 H new ATOM 0 HZ PHE B 567 5.584 19.874 -6.301 1.00 0.00 H new ATOM 711 N PRO B 568 7.916 18.733 1.167 1.00 0.00 N ATOM 712 CA PRO B 568 9.177 18.982 1.871 1.00 0.00 C ATOM 713 C PRO B 568 9.741 17.720 2.514 1.00 0.00 C ATOM 714 O PRO B 568 10.950 17.486 2.491 1.00 0.00 O ATOM 715 CB PRO B 568 8.788 20.002 2.945 1.00 0.00 C ATOM 716 CG PRO B 568 7.335 19.773 3.176 1.00 0.00 C ATOM 717 CD PRO B 568 6.766 19.350 1.850 1.00 0.00 C ATOM 0 HA PRO B 568 9.959 19.330 1.196 1.00 0.00 H new ATOM 0 HB2 PRO B 568 9.363 19.853 3.859 1.00 0.00 H new ATOM 0 HB3 PRO B 568 8.980 21.022 2.611 1.00 0.00 H new ATOM 0 HG2 PRO B 568 7.177 19.004 3.932 1.00 0.00 H new ATOM 0 HG3 PRO B 568 6.850 20.680 3.537 1.00 0.00 H new ATOM 0 HD2 PRO B 568 5.945 18.644 1.972 1.00 0.00 H new ATOM 0 HD3 PRO B 568 6.375 20.200 1.291 1.00 0.00 H new ATOM 725 N LEU B 569 8.858 16.909 3.087 1.00 0.00 N ATOM 726 CA LEU B 569 9.268 15.669 3.737 1.00 0.00 C ATOM 727 C LEU B 569 10.123 14.821 2.801 1.00 0.00 C ATOM 728 O LEU B 569 11.109 14.215 3.223 1.00 0.00 O ATOM 729 CB LEU B 569 8.040 14.875 4.185 1.00 0.00 C ATOM 730 CG LEU B 569 8.236 13.963 5.397 1.00 0.00 C ATOM 731 CD1 LEU B 569 9.252 12.875 5.087 1.00 0.00 C ATOM 732 CD2 LEU B 569 8.671 14.773 6.609 1.00 0.00 C ATOM 0 H LEU B 569 7.854 17.088 3.115 1.00 0.00 H new ATOM 0 HA LEU B 569 9.865 15.926 4.612 1.00 0.00 H new ATOM 0 HB2 LEU B 569 7.239 15.579 4.411 1.00 0.00 H new ATOM 0 HB3 LEU B 569 7.701 14.265 3.348 1.00 0.00 H new ATOM 0 HG LEU B 569 7.283 13.486 5.627 1.00 0.00 H new ATOM 0 HD11 LEU B 569 9.379 12.236 5.961 1.00 0.00 H new ATOM 0 HD12 LEU B 569 8.899 12.276 4.247 1.00 0.00 H new ATOM 0 HD13 LEU B 569 10.208 13.332 4.830 1.00 0.00 H new ATOM 0 HD21 LEU B 569 8.806 14.108 7.462 1.00 0.00 H new ATOM 0 HD22 LEU B 569 9.612 15.278 6.391 1.00 0.00 H new ATOM 0 HD23 LEU B 569 7.907 15.514 6.844 1.00 0.00 H new ATOM 744 N ILE B 570 9.740 14.783 1.529 1.00 0.00 N ATOM 745 CA ILE B 570 10.473 14.012 0.534 1.00 0.00 C ATOM 746 C ILE B 570 11.765 14.716 0.135 1.00 0.00 C ATOM 747 O ILE B 570 12.766 14.070 -0.173 1.00 0.00 O ATOM 748 CB ILE B 570 9.624 13.769 -0.728 1.00 0.00 C ATOM 749 CG1 ILE B 570 8.476 12.805 -0.419 1.00 0.00 C ATOM 750 CG2 ILE B 570 10.491 13.225 -1.854 1.00 0.00 C ATOM 751 CD1 ILE B 570 7.336 12.886 -1.409 1.00 0.00 C ATOM 0 H ILE B 570 8.926 15.277 1.164 1.00 0.00 H new ATOM 0 HA ILE B 570 10.711 13.052 0.992 1.00 0.00 H new ATOM 0 HB ILE B 570 9.199 14.720 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE B 570 8.862 11.786 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE B 570 8.094 13.016 0.580 1.00 0.00 H new ATOM 0 HG21 ILE B 570 9.876 13.059 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE B 570 11.277 13.943 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE B 570 10.942 12.283 -1.543 1.00 0.00 H new ATOM 0 HD11 ILE B 570 6.559 12.176 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE B 570 6.923 13.895 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE B 570 7.703 12.646 -2.407 1.00 0.00 H new ATOM 763 N GLN B 571 11.736 16.045 0.145 1.00 0.00 N ATOM 764 CA GLN B 571 12.906 16.838 -0.215 1.00 0.00 C ATOM 765 C GLN B 571 14.087 16.507 0.692 1.00 0.00 C ATOM 766 O GLN B 571 15.238 16.777 0.351 1.00 0.00 O ATOM 767 CB GLN B 571 12.583 18.330 -0.128 1.00 0.00 C ATOM 768 CG GLN B 571 11.620 18.808 -1.203 1.00 0.00 C ATOM 769 CD GLN B 571 11.020 20.164 -0.888 1.00 0.00 C ATOM 770 OE1 GLN B 571 9.800 20.335 -0.907 1.00 0.00 O ATOM 771 NE2 GLN B 571 11.875 21.137 -0.596 1.00 0.00 N ATOM 0 H GLN B 571 10.915 16.595 0.398 1.00 0.00 H new ATOM 0 HA GLN B 571 13.179 16.592 -1.241 1.00 0.00 H new ATOM 0 HB2 GLN B 571 12.156 18.544 0.852 1.00 0.00 H new ATOM 0 HB3 GLN B 571 13.510 18.899 -0.203 1.00 0.00 H new ATOM 0 HG2 GLN B 571 12.144 18.860 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN B 571 10.819 18.078 -1.318 1.00 0.00 H new ATOM 0 HE21 GLN B 571 12.878 20.951 -0.592 1.00 0.00 H new ATOM 0 HE22 GLN B 571 11.529 22.071 -0.376 1.00 0.00 H new ATOM 780 N ALA B 572 13.793 15.921 1.848 1.00 0.00 N ATOM 781 CA ALA B 572 14.831 15.552 2.803 1.00 0.00 C ATOM 782 C ALA B 572 15.892 14.675 2.148 1.00 0.00 C ATOM 783 O ALA B 572 17.052 14.676 2.560 1.00 0.00 O ATOM 784 CB ALA B 572 14.218 14.839 3.999 1.00 0.00 C ATOM 0 H ALA B 572 12.845 15.692 2.146 1.00 0.00 H new ATOM 0 HA ALA B 572 15.315 16.466 3.148 1.00 0.00 H new ATOM 0 HB1 ALA B 572 15.004 14.569 4.704 1.00 0.00 H new ATOM 0 HB2 ALA B 572 13.502 15.499 4.489 1.00 0.00 H new ATOM 0 HB3 ALA B 572 13.707 13.937 3.662 1.00 0.00 H new ATOM 790 N MET B 573 15.488 13.927 1.127 1.00 0.00 N ATOM 791 CA MET B 573 16.405 13.045 0.415 1.00 0.00 C ATOM 792 C MET B 573 16.405 13.352 -1.079 1.00 0.00 C ATOM 793 O MET B 573 17.450 13.312 -1.731 1.00 0.00 O ATOM 794 CB MET B 573 16.023 11.582 0.647 1.00 0.00 C ATOM 795 CG MET B 573 14.551 11.292 0.403 1.00 0.00 C ATOM 796 SD MET B 573 13.746 10.538 1.830 1.00 0.00 S ATOM 797 CE MET B 573 12.595 11.830 2.291 1.00 0.00 C ATOM 0 H MET B 573 14.531 13.914 0.774 1.00 0.00 H new ATOM 0 HA MET B 573 17.409 13.217 0.803 1.00 0.00 H new ATOM 0 HB2 MET B 573 16.623 10.950 -0.008 1.00 0.00 H new ATOM 0 HB3 MET B 573 16.274 11.308 1.672 1.00 0.00 H new ATOM 0 HG2 MET B 573 14.039 12.220 0.150 1.00 0.00 H new ATOM 0 HG3 MET B 573 14.453 10.629 -0.457 1.00 0.00 H new ATOM 0 HE1 MET B 573 12.584 11.937 3.376 1.00 0.00 H new ATOM 0 HE2 MET B 573 12.904 12.771 1.837 1.00 0.00 H new ATOM 0 HE3 MET B 573 11.596 11.569 1.942 1.00 0.00 H new ATOM 807 N HIS B 574 15.228 13.656 -1.616 1.00 0.00 N ATOM 808 CA HIS B 574 15.094 13.970 -3.034 1.00 0.00 C ATOM 809 C HIS B 574 14.432 15.331 -3.229 1.00 0.00 C ATOM 810 O HIS B 574 13.259 15.432 -3.592 1.00 0.00 O ATOM 811 CB HIS B 574 14.279 12.888 -3.743 1.00 0.00 C ATOM 812 CG HIS B 574 15.110 11.752 -4.255 1.00 0.00 C ATOM 813 ND1 HIS B 574 15.775 11.791 -5.462 1.00 0.00 N ATOM 814 CD2 HIS B 574 15.382 10.541 -3.716 1.00 0.00 C ATOM 815 CE1 HIS B 574 16.420 10.652 -5.644 1.00 0.00 C ATOM 816 NE2 HIS B 574 16.198 9.876 -4.598 1.00 0.00 N ATOM 0 H HIS B 574 14.354 13.692 -1.091 1.00 0.00 H new ATOM 0 HA HIS B 574 16.093 14.005 -3.469 1.00 0.00 H new ATOM 0 HB2 HIS B 574 13.530 12.498 -3.053 1.00 0.00 H new ATOM 0 HB3 HIS B 574 13.740 13.338 -4.577 1.00 0.00 H new ATOM 0 HD2 HIS B 574 15.024 10.167 -2.768 1.00 0.00 H new ATOM 0 HE1 HIS B 574 17.025 10.399 -6.502 1.00 0.00 H new ATOM 0 HE2 HIS B 574 16.572 8.936 -4.467 1.00 0.00 H new ATOM 824 N PRO B 575 15.198 16.404 -2.983 1.00 0.00 N ATOM 825 CA PRO B 575 14.707 17.777 -3.124 1.00 0.00 C ATOM 826 C PRO B 575 14.469 18.161 -4.580 1.00 0.00 C ATOM 827 O PRO B 575 13.944 19.236 -4.873 1.00 0.00 O ATOM 828 CB PRO B 575 15.836 18.621 -2.527 1.00 0.00 C ATOM 829 CG PRO B 575 17.059 17.784 -2.685 1.00 0.00 C ATOM 830 CD PRO B 575 16.604 16.358 -2.547 1.00 0.00 C ATOM 0 HA PRO B 575 13.745 17.918 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO B 575 15.937 19.573 -3.049 1.00 0.00 H new ATOM 0 HB3 PRO B 575 15.646 18.851 -1.479 1.00 0.00 H new ATOM 0 HG2 PRO B 575 17.525 17.953 -3.656 1.00 0.00 H new ATOM 0 HG3 PRO B 575 17.802 18.032 -1.927 1.00 0.00 H new ATOM 0 HD2 PRO B 575 17.195 15.686 -3.168 1.00 0.00 H new ATOM 0 HD3 PRO B 575 16.695 16.005 -1.520 1.00 0.00 H new ATOM 838 N THR B 576 14.857 17.274 -5.492 1.00 0.00 N ATOM 839 CA THR B 576 14.686 17.520 -6.918 1.00 0.00 C ATOM 840 C THR B 576 13.416 16.859 -7.442 1.00 0.00 C ATOM 841 O THR B 576 12.567 17.513 -8.049 1.00 0.00 O ATOM 842 CB THR B 576 15.891 17.003 -7.726 1.00 0.00 C ATOM 843 OG1 THR B 576 16.362 15.771 -7.169 1.00 0.00 O ATOM 844 CG2 THR B 576 17.017 18.026 -7.732 1.00 0.00 C ATOM 0 H THR B 576 15.292 16.379 -5.268 1.00 0.00 H new ATOM 0 HA THR B 576 14.609 18.600 -7.045 1.00 0.00 H new ATOM 0 HB THR B 576 15.567 16.836 -8.753 1.00 0.00 H new ATOM 0 HG1 THR B 576 17.127 15.448 -7.689 1.00 0.00 H new ATOM 0 HG21 THR B 576 17.857 17.639 -8.309 1.00 0.00 H new ATOM 0 HG22 THR B 576 16.664 18.953 -8.183 1.00 0.00 H new ATOM 0 HG23 THR B 576 17.338 18.220 -6.709 1.00 0.00 H new ATOM 852 N LEU B 577 13.291 15.558 -7.204 1.00 0.00 N ATOM 853 CA LEU B 577 12.123 14.807 -7.651 1.00 0.00 C ATOM 854 C LEU B 577 11.038 14.798 -6.579 1.00 0.00 C ATOM 855 O LEU B 577 10.091 14.015 -6.647 1.00 0.00 O ATOM 856 CB LEU B 577 12.519 13.372 -8.003 1.00 0.00 C ATOM 857 CG LEU B 577 13.471 13.210 -9.189 1.00 0.00 C ATOM 858 CD1 LEU B 577 13.008 14.056 -10.365 1.00 0.00 C ATOM 859 CD2 LEU B 577 14.891 13.582 -8.788 1.00 0.00 C ATOM 0 H LEU B 577 13.984 15.001 -6.704 1.00 0.00 H new ATOM 0 HA LEU B 577 11.726 15.297 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU B 577 12.982 12.919 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU B 577 11.611 12.807 -8.212 1.00 0.00 H new ATOM 0 HG LEU B 577 13.464 12.164 -9.496 1.00 0.00 H new ATOM 0 HD11 LEU B 577 13.698 13.928 -11.199 1.00 0.00 H new ATOM 0 HD12 LEU B 577 12.009 13.742 -10.668 1.00 0.00 H new ATOM 0 HD13 LEU B 577 12.985 15.105 -10.071 1.00 0.00 H new ATOM 0 HD21 LEU B 577 15.554 13.461 -9.644 1.00 0.00 H new ATOM 0 HD22 LEU B 577 14.915 14.619 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU B 577 15.222 12.933 -7.978 1.00 0.00 H new ATOM 871 N ALA B 578 11.181 15.677 -5.593 1.00 0.00 N ATOM 872 CA ALA B 578 10.211 15.774 -4.509 1.00 0.00 C ATOM 873 C ALA B 578 8.793 15.913 -5.052 1.00 0.00 C ATOM 874 O ALA B 578 7.851 15.339 -4.509 1.00 0.00 O ATOM 875 CB ALA B 578 10.549 16.948 -3.602 1.00 0.00 C ATOM 0 H ALA B 578 11.959 16.332 -5.522 1.00 0.00 H new ATOM 0 HA ALA B 578 10.260 14.854 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA B 578 9.817 17.009 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA B 578 11.543 16.806 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA B 578 10.530 17.872 -4.180 1.00 0.00 H new ATOM 881 N GLY B 579 8.649 16.682 -6.128 1.00 0.00 N ATOM 882 CA GLY B 579 7.343 16.883 -6.726 1.00 0.00 C ATOM 883 C GLY B 579 6.770 15.608 -7.312 1.00 0.00 C ATOM 884 O GLY B 579 5.644 15.222 -6.999 1.00 0.00 O ATOM 0 H GLY B 579 9.414 17.169 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY B 579 6.658 17.273 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY B 579 7.418 17.637 -7.509 1.00 0.00 H new ATOM 888 N LYS B 580 7.546 14.951 -8.167 1.00 0.00 N ATOM 889 CA LYS B 580 7.111 13.712 -8.800 1.00 0.00 C ATOM 890 C LYS B 580 6.876 12.623 -7.758 1.00 0.00 C ATOM 891 O LYS B 580 5.913 11.861 -7.850 1.00 0.00 O ATOM 892 CB LYS B 580 8.152 13.242 -9.818 1.00 0.00 C ATOM 893 CG LYS B 580 7.987 13.870 -11.191 1.00 0.00 C ATOM 894 CD LYS B 580 9.327 14.064 -11.881 1.00 0.00 C ATOM 895 CE LYS B 580 9.496 13.106 -13.050 1.00 0.00 C ATOM 896 NZ LYS B 580 8.811 13.601 -14.276 1.00 0.00 N ATOM 0 H LYS B 580 8.481 15.257 -8.438 1.00 0.00 H new ATOM 0 HA LYS B 580 6.171 13.907 -9.315 1.00 0.00 H new ATOM 0 HB2 LYS B 580 9.148 13.473 -9.440 1.00 0.00 H new ATOM 0 HB3 LYS B 580 8.091 12.158 -9.914 1.00 0.00 H new ATOM 0 HG2 LYS B 580 7.348 13.237 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS B 580 7.484 14.832 -11.094 1.00 0.00 H new ATOM 0 HD2 LYS B 580 9.409 15.091 -12.236 1.00 0.00 H new ATOM 0 HD3 LYS B 580 10.133 13.910 -11.163 1.00 0.00 H new ATOM 0 HE2 LYS B 580 10.557 12.969 -13.257 1.00 0.00 H new ATOM 0 HE3 LYS B 580 9.096 12.129 -12.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 580 8.950 12.920 -15.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 580 7.794 13.707 -14.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 580 9.210 14.522 -14.549 1.00 0.00 H new ATOM 910 N ILE B 581 7.759 12.556 -6.769 1.00 0.00 N ATOM 911 CA ILE B 581 7.645 11.562 -5.709 1.00 0.00 C ATOM 912 C ILE B 581 6.343 11.731 -4.935 1.00 0.00 C ATOM 913 O ILE B 581 5.509 10.825 -4.895 1.00 0.00 O ATOM 914 CB ILE B 581 8.828 11.648 -4.726 1.00 0.00 C ATOM 915 CG1 ILE B 581 10.146 11.376 -5.455 1.00 0.00 C ATOM 916 CG2 ILE B 581 8.637 10.666 -3.580 1.00 0.00 C ATOM 917 CD1 ILE B 581 11.342 12.039 -4.809 1.00 0.00 C ATOM 0 H ILE B 581 8.562 13.178 -6.679 1.00 0.00 H new ATOM 0 HA ILE B 581 7.654 10.585 -6.191 1.00 0.00 H new ATOM 0 HB ILE B 581 8.865 12.656 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE B 581 10.315 10.300 -5.494 1.00 0.00 H new ATOM 0 HG13 ILE B 581 10.061 11.723 -6.485 1.00 0.00 H new ATOM 0 HG21 ILE B 581 9.481 10.739 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE B 581 7.716 10.903 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE B 581 8.577 9.652 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE B 581 12.241 11.803 -5.379 1.00 0.00 H new ATOM 0 HD12 ILE B 581 11.195 13.119 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE B 581 11.453 11.674 -3.788 1.00 0.00 H new ATOM 929 N THR B 582 6.172 12.898 -4.321 1.00 0.00 N ATOM 930 CA THR B 582 4.971 13.187 -3.548 1.00 0.00 C ATOM 931 C THR B 582 3.717 13.031 -4.402 1.00 0.00 C ATOM 932 O THR B 582 2.665 12.627 -3.909 1.00 0.00 O ATOM 933 CB THR B 582 5.007 14.612 -2.965 1.00 0.00 C ATOM 934 OG1 THR B 582 3.986 14.761 -1.973 1.00 0.00 O ATOM 935 CG2 THR B 582 4.813 15.650 -4.060 1.00 0.00 C ATOM 0 H THR B 582 6.851 13.659 -4.344 1.00 0.00 H new ATOM 0 HA THR B 582 4.942 12.468 -2.729 1.00 0.00 H new ATOM 0 HB THR B 582 5.984 14.769 -2.507 1.00 0.00 H new ATOM 0 HG1 THR B 582 4.016 15.669 -1.606 1.00 0.00 H new ATOM 0 HG21 THR B 582 4.842 16.649 -3.624 1.00 0.00 H new ATOM 0 HG22 THR B 582 5.609 15.553 -4.798 1.00 0.00 H new ATOM 0 HG23 THR B 582 3.849 15.493 -4.543 1.00 0.00 H new ATOM 943 N GLY B 583 3.838 13.353 -5.686 1.00 0.00 N ATOM 944 CA GLY B 583 2.706 13.242 -6.588 1.00 0.00 C ATOM 945 C GLY B 583 2.216 11.814 -6.729 1.00 0.00 C ATOM 946 O GLY B 583 1.059 11.517 -6.433 1.00 0.00 O ATOM 0 H GLY B 583 4.699 13.689 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY B 583 1.892 13.868 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY B 583 2.988 13.625 -7.569 1.00 0.00 H new ATOM 950 N MET B 584 3.097 10.930 -7.185 1.00 0.00 N ATOM 951 CA MET B 584 2.746 9.526 -7.365 1.00 0.00 C ATOM 952 C MET B 584 2.379 8.882 -6.031 1.00 0.00 C ATOM 953 O MET B 584 1.394 8.149 -5.935 1.00 0.00 O ATOM 954 CB MET B 584 3.908 8.766 -8.009 1.00 0.00 C ATOM 955 CG MET B 584 4.427 9.416 -9.281 1.00 0.00 C ATOM 956 SD MET B 584 5.994 8.712 -9.830 1.00 0.00 S ATOM 957 CE MET B 584 7.099 9.306 -8.552 1.00 0.00 C ATOM 0 H MET B 584 4.058 11.160 -7.436 1.00 0.00 H new ATOM 0 HA MET B 584 1.879 9.476 -8.024 1.00 0.00 H new ATOM 0 HB2 MET B 584 4.724 8.689 -7.291 1.00 0.00 H new ATOM 0 HB3 MET B 584 3.586 7.750 -8.235 1.00 0.00 H new ATOM 0 HG2 MET B 584 3.685 9.302 -10.071 1.00 0.00 H new ATOM 0 HG3 MET B 584 4.552 10.486 -9.113 1.00 0.00 H new ATOM 0 HE1 MET B 584 7.958 8.640 -8.475 1.00 0.00 H new ATOM 0 HE2 MET B 584 7.440 10.310 -8.804 1.00 0.00 H new ATOM 0 HE3 MET B 584 6.572 9.330 -7.598 1.00 0.00 H new ATOM 967 N LEU B 585 3.177 9.159 -5.006 1.00 0.00 N ATOM 968 CA LEU B 585 2.937 8.606 -3.678 1.00 0.00 C ATOM 969 C LEU B 585 1.581 9.052 -3.140 1.00 0.00 C ATOM 970 O LEU B 585 0.933 8.329 -2.381 1.00 0.00 O ATOM 971 CB LEU B 585 4.046 9.036 -2.716 1.00 0.00 C ATOM 972 CG LEU B 585 5.249 8.097 -2.617 1.00 0.00 C ATOM 973 CD1 LEU B 585 5.768 7.747 -4.003 1.00 0.00 C ATOM 974 CD2 LEU B 585 6.350 8.729 -1.778 1.00 0.00 C ATOM 0 H LEU B 585 3.996 9.763 -5.069 1.00 0.00 H new ATOM 0 HA LEU B 585 2.936 7.519 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU B 585 4.402 10.020 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU B 585 3.614 9.147 -1.721 1.00 0.00 H new ATOM 0 HG LEU B 585 4.929 7.177 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU B 585 6.624 7.078 -3.913 1.00 0.00 H new ATOM 0 HD12 LEU B 585 4.980 7.254 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU B 585 6.072 8.658 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU B 585 7.198 8.047 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU B 585 6.668 9.664 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU B 585 5.974 8.929 -0.775 1.00 0.00 H new ATOM 986 N LEU B 586 1.155 10.245 -3.539 1.00 0.00 N ATOM 987 CA LEU B 586 -0.125 10.788 -3.099 1.00 0.00 C ATOM 988 C LEU B 586 -1.275 10.196 -3.909 1.00 0.00 C ATOM 989 O LEU B 586 -2.428 10.230 -3.483 1.00 0.00 O ATOM 990 CB LEU B 586 -0.128 12.312 -3.228 1.00 0.00 C ATOM 991 CG LEU B 586 -1.450 13.011 -2.908 1.00 0.00 C ATOM 992 CD1 LEU B 586 -1.195 14.374 -2.284 1.00 0.00 C ATOM 993 CD2 LEU B 586 -2.299 13.147 -4.163 1.00 0.00 C ATOM 0 H LEU B 586 1.678 10.855 -4.167 1.00 0.00 H new ATOM 0 HA LEU B 586 -0.265 10.518 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU B 586 0.641 12.714 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU B 586 0.159 12.571 -4.247 1.00 0.00 H new ATOM 0 HG LEU B 586 -1.997 12.401 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU B 586 -2.147 14.857 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU B 586 -0.627 14.251 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU B 586 -0.628 14.992 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU B 586 -3.236 13.647 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU B 586 -1.759 13.735 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU B 586 -2.511 12.157 -4.568 1.00 0.00 H new ATOM 1005 N GLU B 587 -0.949 9.651 -5.077 1.00 0.00 N ATOM 1006 CA GLU B 587 -1.955 9.050 -5.945 1.00 0.00 C ATOM 1007 C GLU B 587 -2.359 7.670 -5.435 1.00 0.00 C ATOM 1008 O GLU B 587 -3.532 7.421 -5.152 1.00 0.00 O ATOM 1009 CB GLU B 587 -1.426 8.942 -7.377 1.00 0.00 C ATOM 1010 CG GLU B 587 -2.403 8.287 -8.339 1.00 0.00 C ATOM 1011 CD GLU B 587 -2.248 6.780 -8.392 1.00 0.00 C ATOM 1012 OE1 GLU B 587 -1.100 6.298 -8.289 1.00 0.00 O ATOM 1013 OE2 GLU B 587 -3.273 6.082 -8.537 1.00 0.00 O ATOM 0 H GLU B 587 0.002 9.613 -5.443 1.00 0.00 H new ATOM 0 HA GLU B 587 -2.835 9.693 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU B 587 -1.184 9.940 -7.742 1.00 0.00 H new ATOM 0 HB3 GLU B 587 -0.498 8.371 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU B 587 -3.422 8.533 -8.040 1.00 0.00 H new ATOM 0 HG3 GLU B 587 -2.255 8.699 -9.337 1.00 0.00 H new ATOM 1020 N ILE B 588 -1.381 6.778 -5.322 1.00 0.00 N ATOM 1021 CA ILE B 588 -1.635 5.424 -4.845 1.00 0.00 C ATOM 1022 C ILE B 588 -2.738 5.409 -3.792 1.00 0.00 C ATOM 1023 O ILE B 588 -3.791 4.804 -3.990 1.00 0.00 O ATOM 1024 CB ILE B 588 -0.364 4.789 -4.251 1.00 0.00 C ATOM 1025 CG1 ILE B 588 0.593 5.876 -3.758 1.00 0.00 C ATOM 1026 CG2 ILE B 588 0.318 3.903 -5.283 1.00 0.00 C ATOM 1027 CD1 ILE B 588 1.541 5.403 -2.679 1.00 0.00 C ATOM 0 H ILE B 588 -0.406 6.968 -5.554 1.00 0.00 H new ATOM 0 HA ILE B 588 -1.954 4.840 -5.708 1.00 0.00 H new ATOM 0 HB ILE B 588 -0.649 4.169 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE B 588 1.173 6.248 -4.602 1.00 0.00 H new ATOM 0 HG13 ILE B 588 0.011 6.715 -3.377 1.00 0.00 H new ATOM 0 HG21 ILE B 588 1.215 3.462 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE B 588 -0.364 3.110 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE B 588 0.593 4.501 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE B 588 2.189 6.226 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE B 588 0.969 5.058 -1.818 1.00 0.00 H new ATOM 0 HD13 ILE B 588 2.149 4.584 -3.062 1.00 0.00 H new ATOM 1039 N ASP B 589 -2.488 6.080 -2.673 1.00 0.00 N ATOM 1040 CA ASP B 589 -3.461 6.147 -1.589 1.00 0.00 C ATOM 1041 C ASP B 589 -2.884 6.888 -0.387 1.00 0.00 C ATOM 1042 O ASP B 589 -1.943 6.418 0.252 1.00 0.00 O ATOM 1043 CB ASP B 589 -3.894 4.739 -1.176 1.00 0.00 C ATOM 1044 CG ASP B 589 -5.337 4.448 -1.537 1.00 0.00 C ATOM 1045 OD1 ASP B 589 -6.169 5.377 -1.455 1.00 0.00 O ATOM 1046 OD2 ASP B 589 -5.636 3.292 -1.902 1.00 0.00 O ATOM 0 H ASP B 589 -1.620 6.585 -2.493 1.00 0.00 H new ATOM 0 HA ASP B 589 -4.332 6.696 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP B 589 -3.247 4.007 -1.659 1.00 0.00 H new ATOM 0 HB3 ASP B 589 -3.761 4.622 -0.101 1.00 0.00 H new ATOM 1051 N ASN B 590 -3.455 8.050 -0.085 1.00 0.00 N ATOM 1052 CA ASN B 590 -2.997 8.857 1.040 1.00 0.00 C ATOM 1053 C ASN B 590 -2.967 8.034 2.324 1.00 0.00 C ATOM 1054 O ASN B 590 -1.987 8.062 3.069 1.00 0.00 O ATOM 1055 CB ASN B 590 -3.904 10.076 1.223 1.00 0.00 C ATOM 1056 CG ASN B 590 -4.005 10.915 -0.036 1.00 0.00 C ATOM 1057 OD1 ASN B 590 -3.116 10.888 -0.887 1.00 0.00 O ATOM 1058 ND2 ASN B 590 -5.093 11.668 -0.159 1.00 0.00 N ATOM 0 H ASN B 590 -4.235 8.453 -0.604 1.00 0.00 H new ATOM 0 HA ASN B 590 -1.984 9.196 0.823 1.00 0.00 H new ATOM 0 HB2 ASN B 590 -4.900 9.744 1.516 1.00 0.00 H new ATOM 0 HB3 ASN B 590 -3.521 10.692 2.037 1.00 0.00 H new ATOM 0 HD21 ASN B 590 -5.216 12.255 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN B 590 -5.805 11.659 0.572 1.00 0.00 H new ATOM 1065 N SER B 591 -4.047 7.301 2.576 1.00 0.00 N ATOM 1066 CA SER B 591 -4.147 6.472 3.772 1.00 0.00 C ATOM 1067 C SER B 591 -2.914 5.586 3.923 1.00 0.00 C ATOM 1068 O SER B 591 -2.370 5.444 5.017 1.00 0.00 O ATOM 1069 CB SER B 591 -5.407 5.607 3.715 1.00 0.00 C ATOM 1070 OG SER B 591 -5.927 5.377 5.013 1.00 0.00 O ATOM 0 H SER B 591 -4.865 7.264 1.968 1.00 0.00 H new ATOM 0 HA SER B 591 -4.207 7.132 4.638 1.00 0.00 H new ATOM 0 HB2 SER B 591 -6.161 6.098 3.099 1.00 0.00 H new ATOM 0 HB3 SER B 591 -5.177 4.654 3.238 1.00 0.00 H new ATOM 0 HG SER B 591 -6.733 4.823 4.949 1.00 0.00 H new ATOM 1076 N GLU B 592 -2.480 4.993 2.815 1.00 0.00 N ATOM 1077 CA GLU B 592 -1.312 4.120 2.823 1.00 0.00 C ATOM 1078 C GLU B 592 -0.065 4.884 3.260 1.00 0.00 C ATOM 1079 O GLU B 592 0.778 4.356 3.986 1.00 0.00 O ATOM 1080 CB GLU B 592 -1.092 3.512 1.437 1.00 0.00 C ATOM 1081 CG GLU B 592 0.010 2.467 1.399 1.00 0.00 C ATOM 1082 CD GLU B 592 -0.446 1.119 1.925 1.00 0.00 C ATOM 1083 OE1 GLU B 592 -1.671 0.887 1.978 1.00 0.00 O ATOM 1084 OE2 GLU B 592 0.424 0.298 2.282 1.00 0.00 O ATOM 0 H GLU B 592 -2.920 5.101 1.901 1.00 0.00 H new ATOM 0 HA GLU B 592 -1.495 3.318 3.538 1.00 0.00 H new ATOM 0 HB2 GLU B 592 -2.023 3.059 1.096 1.00 0.00 H new ATOM 0 HB3 GLU B 592 -0.850 4.309 0.734 1.00 0.00 H new ATOM 0 HG2 GLU B 592 0.362 2.353 0.374 1.00 0.00 H new ATOM 0 HG3 GLU B 592 0.857 2.816 1.990 1.00 0.00 H new ATOM 1091 N LEU B 593 0.045 6.130 2.812 1.00 0.00 N ATOM 1092 CA LEU B 593 1.189 6.967 3.155 1.00 0.00 C ATOM 1093 C LEU B 593 1.218 7.263 4.651 1.00 0.00 C ATOM 1094 O LEU B 593 2.280 7.255 5.276 1.00 0.00 O ATOM 1095 CB LEU B 593 1.143 8.277 2.365 1.00 0.00 C ATOM 1096 CG LEU B 593 0.574 8.186 0.949 1.00 0.00 C ATOM 1097 CD1 LEU B 593 0.708 9.522 0.233 1.00 0.00 C ATOM 1098 CD2 LEU B 593 1.274 7.086 0.163 1.00 0.00 C ATOM 0 H LEU B 593 -0.644 6.582 2.211 1.00 0.00 H new ATOM 0 HA LEU B 593 2.097 6.424 2.893 1.00 0.00 H new ATOM 0 HB2 LEU B 593 0.549 8.997 2.928 1.00 0.00 H new ATOM 0 HB3 LEU B 593 2.155 8.677 2.304 1.00 0.00 H new ATOM 0 HG LEU B 593 -0.485 7.939 1.019 1.00 0.00 H new ATOM 0 HD11 LEU B 593 0.298 9.438 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU B 593 0.162 10.287 0.785 1.00 0.00 H new ATOM 0 HD13 LEU B 593 1.761 9.799 0.174 1.00 0.00 H new ATOM 0 HD21 LEU B 593 0.856 7.035 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU B 593 2.340 7.304 0.103 1.00 0.00 H new ATOM 0 HD23 LEU B 593 1.127 6.130 0.665 1.00 0.00 H new ATOM 1110 N LEU B 594 0.046 7.523 5.220 1.00 0.00 N ATOM 1111 CA LEU B 594 -0.064 7.819 6.644 1.00 0.00 C ATOM 1112 C LEU B 594 0.349 6.615 7.485 1.00 0.00 C ATOM 1113 O LEU B 594 0.599 6.738 8.684 1.00 0.00 O ATOM 1114 CB LEU B 594 -1.496 8.231 6.991 1.00 0.00 C ATOM 1115 CG LEU B 594 -1.818 9.719 6.853 1.00 0.00 C ATOM 1116 CD1 LEU B 594 -3.289 9.976 7.142 1.00 0.00 C ATOM 1117 CD2 LEU B 594 -0.938 10.544 7.782 1.00 0.00 C ATOM 0 H LEU B 594 -0.841 7.535 4.717 1.00 0.00 H new ATOM 0 HA LEU B 594 0.610 8.645 6.871 1.00 0.00 H new ATOM 0 HB2 LEU B 594 -2.179 7.671 6.352 1.00 0.00 H new ATOM 0 HB3 LEU B 594 -1.701 7.929 8.018 1.00 0.00 H new ATOM 0 HG LEU B 594 -1.612 10.022 5.826 1.00 0.00 H new ATOM 0 HD11 LEU B 594 -3.499 11.041 7.039 1.00 0.00 H new ATOM 0 HD12 LEU B 594 -3.902 9.415 6.437 1.00 0.00 H new ATOM 0 HD13 LEU B 594 -3.521 9.657 8.158 1.00 0.00 H new ATOM 0 HD21 LEU B 594 -1.181 11.601 7.670 1.00 0.00 H new ATOM 0 HD22 LEU B 594 -1.112 10.239 8.814 1.00 0.00 H new ATOM 0 HD23 LEU B 594 0.110 10.384 7.528 1.00 0.00 H new ATOM 1129 N HIS B 595 0.420 5.451 6.846 1.00 0.00 N ATOM 1130 CA HIS B 595 0.805 4.224 7.535 1.00 0.00 C ATOM 1131 C HIS B 595 2.220 3.805 7.148 1.00 0.00 C ATOM 1132 O HIS B 595 2.868 3.039 7.861 1.00 0.00 O ATOM 1133 CB HIS B 595 -0.179 3.100 7.208 1.00 0.00 C ATOM 1134 CG HIS B 595 -0.363 2.120 8.325 1.00 0.00 C ATOM 1135 ND1 HIS B 595 -0.880 2.469 9.555 1.00 0.00 N ATOM 1136 CD2 HIS B 595 -0.096 0.795 8.394 1.00 0.00 C ATOM 1137 CE1 HIS B 595 -0.922 1.402 10.332 1.00 0.00 C ATOM 1138 NE2 HIS B 595 -0.452 0.372 9.651 1.00 0.00 N ATOM 0 H HIS B 595 0.216 5.332 5.854 1.00 0.00 H new ATOM 0 HA HIS B 595 0.782 4.416 8.608 1.00 0.00 H new ATOM 0 HB2 HIS B 595 -1.145 3.537 6.956 1.00 0.00 H new ATOM 0 HB3 HIS B 595 0.171 2.568 6.323 1.00 0.00 H new ATOM 0 HD2 HIS B 595 0.320 0.184 7.607 1.00 0.00 H new ATOM 0 HE1 HIS B 595 -1.280 1.376 11.351 1.00 0.00 H new ATOM 0 HE2 HIS B 595 -0.367 -0.582 10.002 1.00 0.00 H new ATOM 1146 N MET B 596 2.693 4.313 6.014 1.00 0.00 N ATOM 1147 CA MET B 596 4.032 3.992 5.534 1.00 0.00 C ATOM 1148 C MET B 596 5.063 4.956 6.111 1.00 0.00 C ATOM 1149 O MET B 596 6.163 4.552 6.489 1.00 0.00 O ATOM 1150 CB MET B 596 4.073 4.038 4.005 1.00 0.00 C ATOM 1151 CG MET B 596 3.495 2.797 3.344 1.00 0.00 C ATOM 1152 SD MET B 596 3.755 2.775 1.560 1.00 0.00 S ATOM 1153 CE MET B 596 3.257 4.440 1.125 1.00 0.00 C ATOM 0 H MET B 596 2.169 4.948 5.411 1.00 0.00 H new ATOM 0 HA MET B 596 4.278 2.984 5.867 1.00 0.00 H new ATOM 0 HB2 MET B 596 3.522 4.913 3.661 1.00 0.00 H new ATOM 0 HB3 MET B 596 5.106 4.165 3.681 1.00 0.00 H new ATOM 0 HG2 MET B 596 3.950 1.910 3.785 1.00 0.00 H new ATOM 0 HG3 MET B 596 2.426 2.744 3.552 1.00 0.00 H new ATOM 0 HE1 MET B 596 3.208 4.533 0.040 1.00 0.00 H new ATOM 0 HE2 MET B 596 2.276 4.650 1.552 1.00 0.00 H new ATOM 0 HE3 MET B 596 3.983 5.151 1.518 1.00 0.00 H new ATOM 1163 N LEU B 597 4.701 6.233 6.176 1.00 0.00 N ATOM 1164 CA LEU B 597 5.595 7.256 6.707 1.00 0.00 C ATOM 1165 C LEU B 597 5.904 6.998 8.178 1.00 0.00 C ATOM 1166 O LEU B 597 6.833 7.579 8.738 1.00 0.00 O ATOM 1167 CB LEU B 597 4.971 8.643 6.541 1.00 0.00 C ATOM 1168 CG LEU B 597 4.099 9.130 7.699 1.00 0.00 C ATOM 1169 CD1 LEU B 597 3.108 8.053 8.111 1.00 0.00 C ATOM 1170 CD2 LEU B 597 4.965 9.540 8.882 1.00 0.00 C ATOM 0 H LEU B 597 3.794 6.584 5.867 1.00 0.00 H new ATOM 0 HA LEU B 597 6.528 7.215 6.146 1.00 0.00 H new ATOM 0 HB2 LEU B 597 5.774 9.365 6.389 1.00 0.00 H new ATOM 0 HB3 LEU B 597 4.367 8.641 5.634 1.00 0.00 H new ATOM 0 HG LEU B 597 3.538 10.002 7.364 1.00 0.00 H new ATOM 0 HD11 LEU B 597 2.496 8.418 8.936 1.00 0.00 H new ATOM 0 HD12 LEU B 597 2.466 7.806 7.265 1.00 0.00 H new ATOM 0 HD13 LEU B 597 3.650 7.162 8.427 1.00 0.00 H new ATOM 0 HD21 LEU B 597 4.328 9.884 9.697 1.00 0.00 H new ATOM 0 HD22 LEU B 597 5.553 8.685 9.216 1.00 0.00 H new ATOM 0 HD23 LEU B 597 5.635 10.345 8.581 1.00 0.00 H new ATOM 1182 N GLU B 598 5.121 6.120 8.798 1.00 0.00 N ATOM 1183 CA GLU B 598 5.313 5.785 10.204 1.00 0.00 C ATOM 1184 C GLU B 598 6.572 4.944 10.395 1.00 0.00 C ATOM 1185 O GLU B 598 7.063 4.788 11.513 1.00 0.00 O ATOM 1186 CB GLU B 598 4.096 5.030 10.742 1.00 0.00 C ATOM 1187 CG GLU B 598 4.104 3.547 10.409 1.00 0.00 C ATOM 1188 CD GLU B 598 4.766 2.711 11.487 1.00 0.00 C ATOM 1189 OE1 GLU B 598 4.563 3.012 12.681 1.00 0.00 O ATOM 1190 OE2 GLU B 598 5.488 1.754 11.135 1.00 0.00 O ATOM 0 H GLU B 598 4.348 5.628 8.349 1.00 0.00 H new ATOM 0 HA GLU B 598 5.430 6.715 10.760 1.00 0.00 H new ATOM 0 HB2 GLU B 598 4.053 5.151 11.824 1.00 0.00 H new ATOM 0 HB3 GLU B 598 3.191 5.480 10.335 1.00 0.00 H new ATOM 0 HG2 GLU B 598 3.079 3.205 10.267 1.00 0.00 H new ATOM 0 HG3 GLU B 598 4.625 3.393 9.464 1.00 0.00 H new ATOM 1197 N SER B 599 7.089 4.405 9.296 1.00 0.00 N ATOM 1198 CA SER B 599 8.289 3.577 9.342 1.00 0.00 C ATOM 1199 C SER B 599 9.304 4.033 8.299 1.00 0.00 C ATOM 1200 O SER B 599 8.953 4.520 7.224 1.00 0.00 O ATOM 1201 CB SER B 599 7.929 2.108 9.112 1.00 0.00 C ATOM 1202 OG SER B 599 8.601 1.267 10.033 1.00 0.00 O ATOM 0 H SER B 599 6.696 4.527 8.363 1.00 0.00 H new ATOM 0 HA SER B 599 8.737 3.684 10.330 1.00 0.00 H new ATOM 0 HB2 SER B 599 6.852 1.975 9.212 1.00 0.00 H new ATOM 0 HB3 SER B 599 8.192 1.821 8.094 1.00 0.00 H new ATOM 0 HG SER B 599 8.352 0.334 9.866 1.00 0.00 H new ATOM 1208 N PRO B 600 10.596 3.872 8.622 1.00 0.00 N ATOM 1209 CA PRO B 600 11.690 4.259 7.727 1.00 0.00 C ATOM 1210 C PRO B 600 11.784 3.358 6.501 1.00 0.00 C ATOM 1211 O PRO B 600 11.898 3.838 5.374 1.00 0.00 O ATOM 1212 CB PRO B 600 12.937 4.103 8.602 1.00 0.00 C ATOM 1213 CG PRO B 600 12.555 3.092 9.628 1.00 0.00 C ATOM 1214 CD PRO B 600 11.088 3.298 9.886 1.00 0.00 C ATOM 0 HA PRO B 600 11.554 5.265 7.330 1.00 0.00 H new ATOM 0 HB2 PRO B 600 13.793 3.768 8.016 1.00 0.00 H new ATOM 0 HB3 PRO B 600 13.218 5.050 9.064 1.00 0.00 H new ATOM 0 HG2 PRO B 600 12.750 2.081 9.271 1.00 0.00 H new ATOM 0 HG3 PRO B 600 13.134 3.225 10.542 1.00 0.00 H new ATOM 0 HD2 PRO B 600 10.586 2.360 10.123 1.00 0.00 H new ATOM 0 HD3 PRO B 600 10.919 3.972 10.726 1.00 0.00 H new ATOM 1222 N GLU B 601 11.734 2.049 6.729 1.00 0.00 N ATOM 1223 CA GLU B 601 11.813 1.081 5.641 1.00 0.00 C ATOM 1224 C GLU B 601 10.713 1.327 4.613 1.00 0.00 C ATOM 1225 O GLU B 601 10.838 0.943 3.450 1.00 0.00 O ATOM 1226 CB GLU B 601 11.706 -0.344 6.188 1.00 0.00 C ATOM 1227 CG GLU B 601 10.516 -0.554 7.109 1.00 0.00 C ATOM 1228 CD GLU B 601 10.360 -2.000 7.539 1.00 0.00 C ATOM 1229 OE1 GLU B 601 10.248 -2.874 6.654 1.00 0.00 O ATOM 1230 OE2 GLU B 601 10.349 -2.257 8.761 1.00 0.00 O ATOM 0 H GLU B 601 11.639 1.635 7.656 1.00 0.00 H new ATOM 0 HA GLU B 601 12.779 1.202 5.150 1.00 0.00 H new ATOM 0 HB2 GLU B 601 11.636 -1.041 5.353 1.00 0.00 H new ATOM 0 HB3 GLU B 601 12.621 -0.586 6.729 1.00 0.00 H new ATOM 0 HG2 GLU B 601 10.630 0.074 7.993 1.00 0.00 H new ATOM 0 HG3 GLU B 601 9.607 -0.229 6.602 1.00 0.00 H new ATOM 1237 N SER B 602 9.635 1.970 5.050 1.00 0.00 N ATOM 1238 CA SER B 602 8.510 2.263 4.170 1.00 0.00 C ATOM 1239 C SER B 602 8.724 3.585 3.439 1.00 0.00 C ATOM 1240 O SER B 602 8.619 3.654 2.213 1.00 0.00 O ATOM 1241 CB SER B 602 7.208 2.316 4.971 1.00 0.00 C ATOM 1242 OG SER B 602 6.618 1.031 5.070 1.00 0.00 O ATOM 0 H SER B 602 9.517 2.298 6.009 1.00 0.00 H new ATOM 0 HA SER B 602 8.441 1.465 3.431 1.00 0.00 H new ATOM 0 HB2 SER B 602 7.407 2.706 5.969 1.00 0.00 H new ATOM 0 HB3 SER B 602 6.511 3.004 4.493 1.00 0.00 H new ATOM 0 HG SER B 602 5.788 1.091 5.588 1.00 0.00 H new ATOM 1248 N LEU B 603 9.024 4.633 4.198 1.00 0.00 N ATOM 1249 CA LEU B 603 9.252 5.954 3.624 1.00 0.00 C ATOM 1250 C LEU B 603 10.323 5.898 2.539 1.00 0.00 C ATOM 1251 O LEU B 603 10.053 6.183 1.372 1.00 0.00 O ATOM 1252 CB LEU B 603 9.668 6.941 4.716 1.00 0.00 C ATOM 1253 CG LEU B 603 9.989 8.362 4.249 1.00 0.00 C ATOM 1254 CD1 LEU B 603 11.434 8.456 3.784 1.00 0.00 C ATOM 1255 CD2 LEU B 603 9.040 8.786 3.138 1.00 0.00 C ATOM 0 H LEU B 603 9.115 4.593 5.213 1.00 0.00 H new ATOM 0 HA LEU B 603 8.320 6.293 3.172 1.00 0.00 H new ATOM 0 HB2 LEU B 603 8.867 6.994 5.454 1.00 0.00 H new ATOM 0 HB3 LEU B 603 10.545 6.541 5.225 1.00 0.00 H new ATOM 0 HG LEU B 603 9.855 9.040 5.092 1.00 0.00 H new ATOM 0 HD11 LEU B 603 11.645 9.474 3.455 1.00 0.00 H new ATOM 0 HD12 LEU B 603 12.099 8.195 4.607 1.00 0.00 H new ATOM 0 HD13 LEU B 603 11.595 7.766 2.955 1.00 0.00 H new ATOM 0 HD21 LEU B 603 9.283 9.799 2.819 1.00 0.00 H new ATOM 0 HD22 LEU B 603 9.142 8.105 2.293 1.00 0.00 H new ATOM 0 HD23 LEU B 603 8.014 8.758 3.505 1.00 0.00 H new ATOM 1267 N ARG B 604 11.537 5.527 2.931 1.00 0.00 N ATOM 1268 CA ARG B 604 12.648 5.433 1.992 1.00 0.00 C ATOM 1269 C ARG B 604 12.278 4.558 0.798 1.00 0.00 C ATOM 1270 O ARG B 604 12.555 4.907 -0.350 1.00 0.00 O ATOM 1271 CB ARG B 604 13.886 4.866 2.689 1.00 0.00 C ATOM 1272 CG ARG B 604 15.164 5.017 1.880 1.00 0.00 C ATOM 1273 CD ARG B 604 16.266 4.110 2.404 1.00 0.00 C ATOM 1274 NE ARG B 604 15.999 2.703 2.118 1.00 0.00 N ATOM 1275 CZ ARG B 604 16.831 1.717 2.437 1.00 0.00 C ATOM 1276 NH1 ARG B 604 17.976 1.984 3.050 1.00 0.00 N ATOM 1277 NH2 ARG B 604 16.518 0.462 2.143 1.00 0.00 N ATOM 0 H ARG B 604 11.776 5.286 3.893 1.00 0.00 H new ATOM 0 HA ARG B 604 12.871 6.437 1.630 1.00 0.00 H new ATOM 0 HB2 ARG B 604 14.013 5.366 3.649 1.00 0.00 H new ATOM 0 HB3 ARG B 604 13.722 3.809 2.899 1.00 0.00 H new ATOM 0 HG2 ARG B 604 14.964 4.782 0.835 1.00 0.00 H new ATOM 0 HG3 ARG B 604 15.498 6.054 1.915 1.00 0.00 H new ATOM 0 HD2 ARG B 604 17.216 4.397 1.954 1.00 0.00 H new ATOM 0 HD3 ARG B 604 16.368 4.248 3.480 1.00 0.00 H new ATOM 0 HE ARG B 604 15.126 2.464 1.648 1.00 0.00 H new ATOM 0 HH11 ARG B 604 18.220 2.948 3.278 1.00 0.00 H new ATOM 0 HH12 ARG B 604 18.613 1.226 3.294 1.00 0.00 H new ATOM 0 HH21 ARG B 604 15.638 0.253 1.672 1.00 0.00 H new ATOM 0 HH22 ARG B 604 17.157 -0.294 2.388 1.00 0.00 H new ATOM 1291 N SER B 605 11.651 3.420 1.077 1.00 0.00 N ATOM 1292 CA SER B 605 11.246 2.493 0.026 1.00 0.00 C ATOM 1293 C SER B 605 10.438 3.211 -1.050 1.00 0.00 C ATOM 1294 O SER B 605 10.734 3.105 -2.241 1.00 0.00 O ATOM 1295 CB SER B 605 10.423 1.347 0.618 1.00 0.00 C ATOM 1296 OG SER B 605 9.489 0.851 -0.325 1.00 0.00 O ATOM 0 H SER B 605 11.412 3.117 2.021 1.00 0.00 H new ATOM 0 HA SER B 605 12.147 2.086 -0.432 1.00 0.00 H new ATOM 0 HB2 SER B 605 11.088 0.543 0.934 1.00 0.00 H new ATOM 0 HB3 SER B 605 9.897 1.694 1.508 1.00 0.00 H new ATOM 0 HG SER B 605 9.954 0.620 -1.156 1.00 0.00 H new ATOM 1302 N LYS B 606 9.415 3.943 -0.623 1.00 0.00 N ATOM 1303 CA LYS B 606 8.563 4.681 -1.548 1.00 0.00 C ATOM 1304 C LYS B 606 9.376 5.696 -2.346 1.00 0.00 C ATOM 1305 O LYS B 606 9.373 5.680 -3.577 1.00 0.00 O ATOM 1306 CB LYS B 606 7.445 5.395 -0.785 1.00 0.00 C ATOM 1307 CG LYS B 606 6.377 4.456 -0.252 1.00 0.00 C ATOM 1308 CD LYS B 606 5.711 3.675 -1.372 1.00 0.00 C ATOM 1309 CE LYS B 606 5.106 4.602 -2.415 1.00 0.00 C ATOM 1310 NZ LYS B 606 4.406 3.846 -3.491 1.00 0.00 N ATOM 0 H LYS B 606 9.155 4.041 0.359 1.00 0.00 H new ATOM 0 HA LYS B 606 8.122 3.967 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS B 606 7.880 5.947 0.048 1.00 0.00 H new ATOM 0 HB3 LYS B 606 6.978 6.127 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS B 606 6.824 3.763 0.460 1.00 0.00 H new ATOM 0 HG3 LYS B 606 5.625 5.029 0.290 1.00 0.00 H new ATOM 0 HD2 LYS B 606 6.443 3.021 -1.846 1.00 0.00 H new ATOM 0 HD3 LYS B 606 4.932 3.035 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS B 606 4.403 5.282 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS B 606 5.892 5.216 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 606 3.936 4.514 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS B 606 5.097 3.280 -4.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 606 3.696 3.216 -3.067 1.00 0.00 H new ATOM 1324 N VAL B 607 10.074 6.577 -1.636 1.00 0.00 N ATOM 1325 CA VAL B 607 10.894 7.597 -2.278 1.00 0.00 C ATOM 1326 C VAL B 607 11.821 6.982 -3.320 1.00 0.00 C ATOM 1327 O VAL B 607 11.842 7.407 -4.476 1.00 0.00 O ATOM 1328 CB VAL B 607 11.740 8.368 -1.247 1.00 0.00 C ATOM 1329 CG1 VAL B 607 12.661 9.358 -1.944 1.00 0.00 C ATOM 1330 CG2 VAL B 607 10.841 9.079 -0.246 1.00 0.00 C ATOM 0 H VAL B 607 10.088 6.605 -0.616 1.00 0.00 H new ATOM 0 HA VAL B 607 10.210 8.290 -2.768 1.00 0.00 H new ATOM 0 HB VAL B 607 12.358 7.654 -0.704 1.00 0.00 H new ATOM 0 HG11 VAL B 607 13.250 9.893 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL B 607 13.329 8.821 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL B 607 12.065 10.070 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL B 607 11.455 9.619 0.475 1.00 0.00 H new ATOM 0 HG22 VAL B 607 10.196 9.783 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL B 607 10.227 8.346 0.277 1.00 0.00 H new ATOM 1340 N ASP B 608 12.585 5.978 -2.905 1.00 0.00 N ATOM 1341 CA ASP B 608 13.514 5.302 -3.804 1.00 0.00 C ATOM 1342 C ASP B 608 12.784 4.749 -5.024 1.00 0.00 C ATOM 1343 O ASP B 608 13.173 5.011 -6.162 1.00 0.00 O ATOM 1344 CB ASP B 608 14.234 4.170 -3.069 1.00 0.00 C ATOM 1345 CG ASP B 608 15.729 4.405 -2.968 1.00 0.00 C ATOM 1346 OD1 ASP B 608 16.139 5.580 -2.859 1.00 0.00 O ATOM 1347 OD2 ASP B 608 16.488 3.414 -2.996 1.00 0.00 O ATOM 0 H ASP B 608 12.580 5.614 -1.952 1.00 0.00 H new ATOM 0 HA ASP B 608 14.250 6.031 -4.143 1.00 0.00 H new ATOM 0 HB2 ASP B 608 13.817 4.068 -2.067 1.00 0.00 H new ATOM 0 HB3 ASP B 608 14.051 3.229 -3.588 1.00 0.00 H new ATOM 1352 N GLU B 609 11.726 3.983 -4.778 1.00 0.00 N ATOM 1353 CA GLU B 609 10.943 3.393 -5.858 1.00 0.00 C ATOM 1354 C GLU B 609 10.473 4.464 -6.838 1.00 0.00 C ATOM 1355 O GLU B 609 10.697 4.358 -8.043 1.00 0.00 O ATOM 1356 CB GLU B 609 9.738 2.639 -5.291 1.00 0.00 C ATOM 1357 CG GLU B 609 10.108 1.359 -4.562 1.00 0.00 C ATOM 1358 CD GLU B 609 9.003 0.867 -3.648 1.00 0.00 C ATOM 1359 OE1 GLU B 609 7.860 1.351 -3.785 1.00 0.00 O ATOM 1360 OE2 GLU B 609 9.281 -0.003 -2.796 1.00 0.00 O ATOM 0 H GLU B 609 11.391 3.756 -3.841 1.00 0.00 H new ATOM 0 HA GLU B 609 11.582 2.691 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU B 609 9.200 3.294 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU B 609 9.055 2.399 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU B 609 10.342 0.584 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU B 609 11.011 1.528 -3.976 1.00 0.00 H new ATOM 1367 N ALA B 610 9.820 5.494 -6.310 1.00 0.00 N ATOM 1368 CA ALA B 610 9.319 6.585 -7.137 1.00 0.00 C ATOM 1369 C ALA B 610 10.414 7.134 -8.044 1.00 0.00 C ATOM 1370 O ALA B 610 10.291 7.110 -9.269 1.00 0.00 O ATOM 1371 CB ALA B 610 8.751 7.692 -6.262 1.00 0.00 C ATOM 0 H ALA B 610 9.626 5.596 -5.314 1.00 0.00 H new ATOM 0 HA ALA B 610 8.523 6.192 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA B 610 8.381 8.500 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA B 610 7.932 7.297 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA B 610 9.533 8.074 -5.605 1.00 0.00 H new ATOM 1377 N VAL B 611 11.487 7.629 -7.435 1.00 0.00 N ATOM 1378 CA VAL B 611 12.606 8.184 -8.188 1.00 0.00 C ATOM 1379 C VAL B 611 13.061 7.226 -9.283 1.00 0.00 C ATOM 1380 O VAL B 611 13.349 7.641 -10.405 1.00 0.00 O ATOM 1381 CB VAL B 611 13.800 8.500 -7.269 1.00 0.00 C ATOM 1382 CG1 VAL B 611 14.908 9.190 -8.050 1.00 0.00 C ATOM 1383 CG2 VAL B 611 13.354 9.356 -6.092 1.00 0.00 C ATOM 0 H VAL B 611 11.605 7.657 -6.422 1.00 0.00 H new ATOM 0 HA VAL B 611 12.253 9.109 -8.643 1.00 0.00 H new ATOM 0 HB VAL B 611 14.194 7.562 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL B 611 15.743 9.405 -7.384 1.00 0.00 H new ATOM 0 HG12 VAL B 611 15.245 8.538 -8.856 1.00 0.00 H new ATOM 0 HG13 VAL B 611 14.530 10.122 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL B 611 14.210 9.570 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL B 611 12.934 10.292 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL B 611 12.598 8.820 -5.518 1.00 0.00 H new ATOM 1393 N ALA B 612 13.123 5.941 -8.949 1.00 0.00 N ATOM 1394 CA ALA B 612 13.541 4.922 -9.904 1.00 0.00 C ATOM 1395 C ALA B 612 12.592 4.866 -11.096 1.00 0.00 C ATOM 1396 O ALA B 612 13.022 4.701 -12.238 1.00 0.00 O ATOM 1397 CB ALA B 612 13.620 3.563 -9.225 1.00 0.00 C ATOM 0 H ALA B 612 12.889 5.581 -8.024 1.00 0.00 H new ATOM 0 HA ALA B 612 14.531 5.189 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA B 612 13.933 2.812 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA B 612 14.343 3.605 -8.410 1.00 0.00 H new ATOM 0 HB3 ALA B 612 12.640 3.297 -8.828 1.00 0.00 H new ATOM 1403 N VAL B 613 11.298 5.003 -10.824 1.00 0.00 N ATOM 1404 CA VAL B 613 10.287 4.967 -11.874 1.00 0.00 C ATOM 1405 C VAL B 613 10.446 6.145 -12.829 1.00 0.00 C ATOM 1406 O VAL B 613 10.334 5.991 -14.046 1.00 0.00 O ATOM 1407 CB VAL B 613 8.864 4.986 -11.285 1.00 0.00 C ATOM 1408 CG1 VAL B 613 7.833 5.184 -12.386 1.00 0.00 C ATOM 1409 CG2 VAL B 613 8.591 3.705 -10.512 1.00 0.00 C ATOM 0 H VAL B 613 10.925 5.140 -9.885 1.00 0.00 H new ATOM 0 HA VAL B 613 10.432 4.036 -12.422 1.00 0.00 H new ATOM 0 HB VAL B 613 8.787 5.825 -10.593 1.00 0.00 H new ATOM 0 HG11 VAL B 613 6.834 5.195 -11.951 1.00 0.00 H new ATOM 0 HG12 VAL B 613 8.019 6.131 -12.892 1.00 0.00 H new ATOM 0 HG13 VAL B 613 7.907 4.368 -13.105 1.00 0.00 H new ATOM 0 HG21 VAL B 613 7.581 3.735 -10.103 1.00 0.00 H new ATOM 0 HG22 VAL B 613 8.686 2.849 -11.181 1.00 0.00 H new ATOM 0 HG23 VAL B 613 9.310 3.611 -9.698 1.00 0.00 H new ATOM 1419 N LEU B 614 10.707 7.322 -12.270 1.00 0.00 N ATOM 1420 CA LEU B 614 10.882 8.528 -13.072 1.00 0.00 C ATOM 1421 C LEU B 614 11.943 8.317 -14.148 1.00 0.00 C ATOM 1422 O LEU B 614 11.853 8.879 -15.239 1.00 0.00 O ATOM 1423 CB LEU B 614 11.273 9.706 -12.178 1.00 0.00 C ATOM 1424 CG LEU B 614 10.489 9.847 -10.872 1.00 0.00 C ATOM 1425 CD1 LEU B 614 10.718 11.219 -10.257 1.00 0.00 C ATOM 1426 CD2 LEU B 614 9.005 9.609 -11.113 1.00 0.00 C ATOM 0 H LEU B 614 10.802 7.467 -11.265 1.00 0.00 H new ATOM 0 HA LEU B 614 9.934 8.750 -13.561 1.00 0.00 H new ATOM 0 HB2 LEU B 614 12.332 9.616 -11.935 1.00 0.00 H new ATOM 0 HB3 LEU B 614 11.155 10.626 -12.751 1.00 0.00 H new ATOM 0 HG LEU B 614 10.849 9.093 -10.171 1.00 0.00 H new ATOM 0 HD11 LEU B 614 10.152 11.301 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU B 614 11.780 11.351 -10.048 1.00 0.00 H new ATOM 0 HD13 LEU B 614 10.386 11.990 -10.953 1.00 0.00 H new ATOM 0 HD21 LEU B 614 8.462 9.713 -10.173 1.00 0.00 H new ATOM 0 HD22 LEU B 614 8.631 10.339 -11.831 1.00 0.00 H new ATOM 0 HD23 LEU B 614 8.857 8.604 -11.508 1.00 0.00 H new ATOM 1438 N GLN B 615 12.945 7.503 -13.832 1.00 0.00 N ATOM 1439 CA GLN B 615 14.022 7.218 -14.773 1.00 0.00 C ATOM 1440 C GLN B 615 13.466 6.698 -16.095 1.00 0.00 C ATOM 1441 O GLN B 615 14.081 6.867 -17.147 1.00 0.00 O ATOM 1442 CB GLN B 615 14.991 6.195 -14.177 1.00 0.00 C ATOM 1443 CG GLN B 615 16.196 5.912 -15.059 1.00 0.00 C ATOM 1444 CD GLN B 615 17.120 7.107 -15.185 1.00 0.00 C ATOM 1445 OE1 GLN B 615 17.188 7.747 -16.235 1.00 0.00 O ATOM 1446 NE2 GLN B 615 17.839 7.416 -14.112 1.00 0.00 N ATOM 0 H GLN B 615 13.034 7.030 -12.933 1.00 0.00 H new ATOM 0 HA GLN B 615 14.558 8.147 -14.965 1.00 0.00 H new ATOM 0 HB2 GLN B 615 15.337 6.556 -13.209 1.00 0.00 H new ATOM 0 HB3 GLN B 615 14.456 5.262 -13.997 1.00 0.00 H new ATOM 0 HG2 GLN B 615 16.752 5.069 -14.648 1.00 0.00 H new ATOM 0 HG3 GLN B 615 15.854 5.616 -16.051 1.00 0.00 H new ATOM 0 HE21 GLN B 615 17.752 6.859 -13.262 1.00 0.00 H new ATOM 0 HE22 GLN B 615 18.478 8.210 -14.138 1.00 0.00 H new