USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 602 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 64 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -173:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.695 USER MOD Set 2.2: A 58 TYR OH : rot 1:sc= 0.778 USER MOD Set 3.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 49 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.29) USER MOD Set 4.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 24 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.617 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 99:sc= 0.879 USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 0.0464 (180deg=0.0238) USER MOD Single : A 9 THR OG1 : rot 48:sc= 0.55 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0.0453 (180deg=0.00941) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.114) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0506 X(o=-0.051,f=0.27) USER MOD Single : A 26 SER OG : rot 109:sc= 0.489 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -161:sc= -1.62 (180deg=-2.74!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0876) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 141:sc= 0.58 USER MOD Single : A 70 SER OG : rot 62:sc= 0.19 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.085 16.226 8.237 1.00 0.00 N ATOM 2 CA SER A 1 -0.500 14.831 7.934 1.00 0.00 C ATOM 3 C SER A 1 0.544 14.130 7.066 1.00 0.00 C ATOM 4 O SER A 1 0.640 14.387 5.864 1.00 0.00 O ATOM 5 CB SER A 1 -1.860 14.829 7.227 1.00 0.00 C ATOM 6 OG SER A 1 -2.287 13.510 6.936 1.00 0.00 O ATOM 0 H1 SER A 1 -0.809 16.683 8.828 1.00 0.00 H new ATOM 0 H2 SER A 1 0.822 16.216 8.746 1.00 0.00 H new ATOM 0 H3 SER A 1 0.023 16.757 7.349 1.00 0.00 H new ATOM 0 HA SER A 1 -0.586 14.286 8.874 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.600 15.323 7.857 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.793 15.404 6.303 1.00 0.00 H new ATOM 0 HG SER A 1 -3.158 13.540 6.487 1.00 0.00 H new ATOM 14 N ASP A 2 1.331 13.249 7.687 1.00 0.00 N ATOM 15 CA ASP A 2 2.372 12.513 6.973 1.00 0.00 C ATOM 16 C ASP A 2 1.968 11.054 6.757 1.00 0.00 C ATOM 17 O ASP A 2 1.153 10.505 7.502 1.00 0.00 O ATOM 18 CB ASP A 2 3.696 12.589 7.741 1.00 0.00 C ATOM 19 CG ASP A 2 4.884 12.145 6.908 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.377 12.957 6.097 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.322 10.988 7.068 1.00 0.00 O ATOM 0 H ASP A 2 1.266 13.029 8.681 1.00 0.00 H new ATOM 0 HA ASP A 2 2.502 12.975 5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.857 13.613 8.079 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.630 11.966 8.633 1.00 0.00 H new ATOM 26 N VAL A 3 2.549 10.435 5.727 1.00 0.00 N ATOM 27 CA VAL A 3 2.260 9.042 5.390 1.00 0.00 C ATOM 28 C VAL A 3 2.782 8.082 6.464 1.00 0.00 C ATOM 29 O VAL A 3 2.146 7.069 6.756 1.00 0.00 O ATOM 30 CB VAL A 3 2.862 8.656 4.017 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.386 8.670 4.058 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.346 7.297 3.563 1.00 0.00 C ATOM 0 H VAL A 3 3.227 10.881 5.109 1.00 0.00 H new ATOM 0 HA VAL A 3 1.175 8.952 5.338 1.00 0.00 H new ATOM 0 HB VAL A 3 2.541 9.403 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.779 8.395 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.734 9.669 4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.736 7.956 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.782 7.047 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.625 6.539 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.260 7.332 3.473 1.00 0.00 H new ATOM 42 N TRP A 4 3.934 8.409 7.054 1.00 0.00 N ATOM 43 CA TRP A 4 4.528 7.568 8.089 1.00 0.00 C ATOM 44 C TRP A 4 3.819 7.781 9.428 1.00 0.00 C ATOM 45 O TRP A 4 3.604 6.826 10.178 1.00 0.00 O ATOM 46 CB TRP A 4 6.025 7.865 8.229 1.00 0.00 C ATOM 47 CG TRP A 4 6.866 6.639 8.436 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.599 5.588 9.268 1.00 0.00 C ATOM 49 CD2 TRP A 4 8.115 6.340 7.800 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.602 4.653 9.184 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.546 5.092 8.292 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.911 7.003 6.862 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.736 4.497 7.876 1.00 0.00 C ATOM 54 CZ3 TRP A 4 10.093 6.413 6.451 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.494 5.171 6.958 1.00 0.00 C ATOM 0 H TRP A 4 4.471 9.248 6.832 1.00 0.00 H new ATOM 0 HA TRP A 4 4.406 6.526 7.794 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.369 8.384 7.334 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.175 8.544 9.069 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.727 5.505 9.899 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.638 3.775 9.701 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.608 7.960 6.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 10.048 3.539 8.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.716 6.918 5.728 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.422 4.736 6.617 1.00 0.00 H new ATOM 66 N SER A 5 3.455 9.034 9.722 1.00 0.00 N ATOM 67 CA SER A 5 2.745 9.359 10.960 1.00 0.00 C ATOM 68 C SER A 5 1.393 8.644 10.989 1.00 0.00 C ATOM 69 O SER A 5 1.075 7.945 11.952 1.00 0.00 O ATOM 70 CB SER A 5 2.543 10.873 11.080 1.00 0.00 C ATOM 71 OG SER A 5 1.852 11.205 12.273 1.00 0.00 O ATOM 0 H SER A 5 3.641 9.836 9.120 1.00 0.00 H new ATOM 0 HA SER A 5 3.344 9.022 11.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.511 11.374 11.066 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.983 11.237 10.219 1.00 0.00 H new ATOM 0 HG SER A 5 1.738 12.177 12.325 1.00 0.00 H new ATOM 77 N LEU A 6 0.607 8.823 9.926 1.00 0.00 N ATOM 78 CA LEU A 6 -0.704 8.191 9.824 1.00 0.00 C ATOM 79 C LEU A 6 -0.589 6.867 9.073 1.00 0.00 C ATOM 80 O LEU A 6 -0.821 6.801 7.863 1.00 0.00 O ATOM 81 CB LEU A 6 -1.700 9.117 9.116 1.00 0.00 C ATOM 82 CG LEU A 6 -1.976 10.446 9.826 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.949 11.289 9.017 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.517 10.201 11.228 1.00 0.00 C ATOM 0 H LEU A 6 0.858 9.401 9.124 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.074 7.998 10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.325 9.330 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.644 8.585 8.996 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.037 10.992 9.912 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.134 12.230 9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.523 11.494 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.888 10.749 8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.707 11.157 11.717 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.446 9.634 11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.786 9.637 11.807 1.00 0.00 H new ATOM 96 N SER A 7 -0.215 5.818 9.800 1.00 0.00 N ATOM 97 CA SER A 7 -0.053 4.491 9.213 1.00 0.00 C ATOM 98 C SER A 7 -1.073 3.481 9.754 1.00 0.00 C ATOM 99 O SER A 7 -1.020 2.300 9.413 1.00 0.00 O ATOM 100 CB SER A 7 1.374 3.987 9.450 1.00 0.00 C ATOM 101 OG SER A 7 2.312 4.745 8.706 1.00 0.00 O ATOM 0 H SER A 7 -0.018 5.861 10.800 1.00 0.00 H new ATOM 0 HA SER A 7 -0.236 4.583 8.143 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.613 4.048 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.444 2.937 9.167 1.00 0.00 H new ATOM 0 HG SER A 7 2.717 5.424 9.285 1.00 0.00 H new ATOM 107 N LYS A 8 -2.012 3.948 10.579 1.00 0.00 N ATOM 108 CA LYS A 8 -3.037 3.076 11.147 1.00 0.00 C ATOM 109 C LYS A 8 -4.313 3.082 10.297 1.00 0.00 C ATOM 110 O LYS A 8 -5.191 2.237 10.485 1.00 0.00 O ATOM 111 CB LYS A 8 -3.356 3.505 12.582 1.00 0.00 C ATOM 112 CG LYS A 8 -2.180 3.355 13.538 1.00 0.00 C ATOM 113 CD LYS A 8 -1.743 1.903 13.675 1.00 0.00 C ATOM 114 CE LYS A 8 -2.770 1.075 14.432 1.00 0.00 C ATOM 115 NZ LYS A 8 -2.324 -0.335 14.612 1.00 0.00 N ATOM 0 H LYS A 8 -2.082 4.924 10.867 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.646 2.059 11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.680 4.546 12.578 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.193 2.912 12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.343 3.954 13.181 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.456 3.745 14.518 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.589 1.475 12.685 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.786 1.859 14.194 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.952 1.526 15.408 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.717 1.090 13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.127 -0.915 14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.966 -0.704 13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.567 -0.372 15.325 1.00 0.00 H new ATOM 129 N THR A 9 -4.412 4.035 9.362 1.00 0.00 N ATOM 130 CA THR A 9 -5.579 4.143 8.489 1.00 0.00 C ATOM 131 C THR A 9 -5.580 3.043 7.427 1.00 0.00 C ATOM 132 O THR A 9 -4.745 3.042 6.519 1.00 0.00 O ATOM 133 CB THR A 9 -5.639 5.520 7.792 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.431 5.758 7.057 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.844 6.634 8.807 1.00 0.00 C ATOM 0 H THR A 9 -3.695 4.741 9.193 1.00 0.00 H new ATOM 0 HA THR A 9 -6.458 4.029 9.124 1.00 0.00 H new ATOM 0 HB THR A 9 -6.485 5.512 7.105 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.214 4.968 6.520 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.883 7.593 8.291 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.780 6.471 9.342 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.016 6.637 9.516 1.00 0.00 H new ATOM 143 N SER A 10 -6.520 2.107 7.552 1.00 0.00 N ATOM 144 CA SER A 10 -6.634 1.000 6.603 1.00 0.00 C ATOM 145 C SER A 10 -7.632 1.325 5.492 1.00 0.00 C ATOM 146 O SER A 10 -8.392 2.293 5.587 1.00 0.00 O ATOM 147 CB SER A 10 -7.058 -0.284 7.326 1.00 0.00 C ATOM 148 OG SER A 10 -8.311 -0.122 7.971 1.00 0.00 O ATOM 0 H SER A 10 -7.213 2.093 8.300 1.00 0.00 H new ATOM 0 HA SER A 10 -5.654 0.848 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.118 -1.104 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.301 -0.557 8.061 1.00 0.00 H new ATOM 0 HG SER A 10 -8.557 -0.956 8.422 1.00 0.00 H new ATOM 154 N MET A 11 -7.623 0.508 4.440 1.00 0.00 N ATOM 155 CA MET A 11 -8.525 0.698 3.305 1.00 0.00 C ATOM 156 C MET A 11 -9.136 -0.634 2.874 1.00 0.00 C ATOM 157 O MET A 11 -8.457 -1.664 2.866 1.00 0.00 O ATOM 158 CB MET A 11 -7.775 1.334 2.133 1.00 0.00 C ATOM 159 CG MET A 11 -8.634 1.560 0.897 1.00 0.00 C ATOM 160 SD MET A 11 -9.923 2.794 1.156 1.00 0.00 S ATOM 161 CE MET A 11 -10.711 2.802 -0.453 1.00 0.00 C ATOM 0 H MET A 11 -6.999 -0.294 4.350 1.00 0.00 H new ATOM 0 HA MET A 11 -9.330 1.365 3.614 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.362 2.290 2.455 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.932 0.696 1.865 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.997 1.875 0.070 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.094 0.617 0.603 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.532 3.519 -0.452 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.983 3.085 -1.213 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.098 1.807 -0.674 1.00 0.00 H new ATOM 171 N THR A 12 -10.418 -0.605 2.513 1.00 0.00 N ATOM 172 CA THR A 12 -11.122 -1.809 2.085 1.00 0.00 C ATOM 173 C THR A 12 -11.086 -1.959 0.564 1.00 0.00 C ATOM 174 O THR A 12 -11.560 -1.091 -0.171 1.00 0.00 O ATOM 175 CB THR A 12 -12.589 -1.805 2.566 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.637 -1.642 3.989 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.296 -3.098 2.181 1.00 0.00 C ATOM 0 H THR A 12 -10.989 0.240 2.509 1.00 0.00 H new ATOM 0 HA THR A 12 -10.606 -2.656 2.538 1.00 0.00 H new ATOM 0 HB THR A 12 -13.100 -0.972 2.082 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.571 -1.639 4.287 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.327 -3.067 2.532 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.285 -3.210 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.782 -3.944 2.638 1.00 0.00 H new ATOM 185 N PHE A 13 -10.514 -3.072 0.106 1.00 0.00 N ATOM 186 CA PHE A 13 -10.419 -3.374 -1.319 1.00 0.00 C ATOM 187 C PHE A 13 -11.510 -4.362 -1.719 1.00 0.00 C ATOM 188 O PHE A 13 -11.885 -5.235 -0.936 1.00 0.00 O ATOM 189 CB PHE A 13 -9.035 -3.944 -1.649 1.00 0.00 C ATOM 190 CG PHE A 13 -7.959 -2.899 -1.748 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.241 -1.633 -2.241 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.667 -3.182 -1.347 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.253 -0.674 -2.332 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.674 -2.228 -1.437 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.967 -0.971 -1.930 1.00 0.00 C ATOM 0 H PHE A 13 -10.106 -3.785 0.710 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.558 -2.453 -1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.757 -4.667 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.091 -4.486 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.246 -1.395 -2.557 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.432 -4.162 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.486 0.308 -2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.668 -2.464 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.191 -0.223 -2.001 1.00 0.00 H new ATOM 205 N GLN A 14 -12.013 -4.215 -2.943 1.00 0.00 N ATOM 206 CA GLN A 14 -13.064 -5.093 -3.452 1.00 0.00 C ATOM 207 C GLN A 14 -12.562 -5.917 -4.639 1.00 0.00 C ATOM 208 O GLN A 14 -12.042 -5.366 -5.613 1.00 0.00 O ATOM 209 CB GLN A 14 -14.296 -4.276 -3.857 1.00 0.00 C ATOM 210 CG GLN A 14 -14.007 -3.184 -4.877 1.00 0.00 C ATOM 211 CD GLN A 14 -15.251 -2.411 -5.274 1.00 0.00 C ATOM 212 OE1 GLN A 14 -15.599 -1.411 -4.646 1.00 0.00 O ATOM 213 NE2 GLN A 14 -15.929 -2.870 -6.322 1.00 0.00 N ATOM 0 H GLN A 14 -11.710 -3.496 -3.600 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.345 -5.780 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.048 -4.951 -4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.727 -3.821 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.271 -2.494 -4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.563 -3.631 -5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.605 -3.703 -6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.773 -2.389 -6.634 1.00 0.00 H new ATOM 222 N PRO A 15 -12.704 -7.256 -4.566 1.00 0.00 N ATOM 223 CA PRO A 15 -12.269 -8.161 -5.638 1.00 0.00 C ATOM 224 C PRO A 15 -13.100 -7.992 -6.906 1.00 0.00 C ATOM 225 O PRO A 15 -14.299 -7.713 -6.838 1.00 0.00 O ATOM 226 CB PRO A 15 -12.478 -9.555 -5.040 1.00 0.00 C ATOM 227 CG PRO A 15 -13.514 -9.369 -3.988 1.00 0.00 C ATOM 228 CD PRO A 15 -13.297 -7.991 -3.433 1.00 0.00 C ATOM 0 HA PRO A 15 -11.240 -7.968 -5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.808 -10.265 -5.798 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.552 -9.947 -4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -14.516 -9.468 -4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.418 -10.124 -3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.233 -7.538 -3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -12.631 -8.005 -2.570 1.00 0.00 H new ATOM 236 N LYS A 16 -12.461 -8.167 -8.062 1.00 0.00 N ATOM 237 CA LYS A 16 -13.151 -8.040 -9.344 1.00 0.00 C ATOM 238 C LYS A 16 -14.050 -9.251 -9.598 1.00 0.00 C ATOM 239 O LYS A 16 -15.163 -9.110 -10.108 1.00 0.00 O ATOM 240 CB LYS A 16 -12.142 -7.882 -10.486 1.00 0.00 C ATOM 241 CG LYS A 16 -11.257 -6.649 -10.363 1.00 0.00 C ATOM 242 CD LYS A 16 -12.076 -5.370 -10.262 1.00 0.00 C ATOM 243 CE LYS A 16 -11.186 -4.155 -10.051 1.00 0.00 C ATOM 244 NZ LYS A 16 -11.978 -2.913 -9.822 1.00 0.00 N ATOM 0 H LYS A 16 -11.470 -8.396 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.776 -7.148 -9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.509 -8.769 -10.524 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.683 -7.836 -11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.622 -6.744 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.596 -6.589 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.663 -5.239 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.782 -5.453 -9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.531 -4.330 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.545 -4.020 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.358 -2.083 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.745 -2.856 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.384 -2.932 -8.865 1.00 0.00 H new ATOM 258 N LYS A 17 -13.556 -10.440 -9.240 1.00 0.00 N ATOM 259 CA LYS A 17 -14.308 -11.682 -9.423 1.00 0.00 C ATOM 260 C LYS A 17 -14.678 -12.303 -8.076 1.00 0.00 C ATOM 261 O LYS A 17 -14.213 -11.859 -7.024 1.00 0.00 O ATOM 262 CB LYS A 17 -13.495 -12.687 -10.248 1.00 0.00 C ATOM 263 CG LYS A 17 -13.272 -12.271 -11.698 1.00 0.00 C ATOM 264 CD LYS A 17 -12.213 -11.184 -11.819 1.00 0.00 C ATOM 265 CE LYS A 17 -11.951 -10.814 -13.272 1.00 0.00 C ATOM 266 NZ LYS A 17 -11.325 -11.933 -14.033 1.00 0.00 N ATOM 0 H LYS A 17 -12.635 -10.567 -8.820 1.00 0.00 H new ATOM 0 HA LYS A 17 -15.226 -11.438 -9.959 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.526 -12.832 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.006 -13.650 -10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.969 -13.140 -12.283 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.210 -11.913 -12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.535 -10.299 -11.270 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.286 -11.525 -11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.890 -10.533 -13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.300 -9.941 -13.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.995 -11.584 -14.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.518 -12.309 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.025 -12.688 -14.179 1.00 0.00 H new ATOM 280 N ALA A 18 -15.519 -13.340 -8.121 1.00 0.00 N ATOM 281 CA ALA A 18 -15.958 -14.035 -6.910 1.00 0.00 C ATOM 282 C ALA A 18 -14.794 -14.750 -6.221 1.00 0.00 C ATOM 283 O ALA A 18 -14.706 -14.757 -4.992 1.00 0.00 O ATOM 284 CB ALA A 18 -17.062 -15.028 -7.246 1.00 0.00 C ATOM 0 H ALA A 18 -15.909 -13.716 -8.985 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.347 -13.288 -6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.381 -15.539 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.909 -14.497 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.688 -15.760 -7.962 1.00 0.00 H new ATOM 290 N SER A 19 -13.908 -15.352 -7.021 1.00 0.00 N ATOM 291 CA SER A 19 -12.749 -16.073 -6.491 1.00 0.00 C ATOM 292 C SER A 19 -11.898 -15.175 -5.589 1.00 0.00 C ATOM 293 O SER A 19 -11.466 -15.595 -4.514 1.00 0.00 O ATOM 294 CB SER A 19 -11.894 -16.621 -7.640 1.00 0.00 C ATOM 295 OG SER A 19 -10.778 -17.345 -7.151 1.00 0.00 O ATOM 0 H SER A 19 -13.973 -15.353 -8.039 1.00 0.00 H new ATOM 0 HA SER A 19 -13.119 -16.904 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.502 -17.269 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.550 -15.797 -8.265 1.00 0.00 H new ATOM 0 HG SER A 19 -10.252 -17.684 -7.905 1.00 0.00 H new ATOM 301 N LEU A 20 -11.666 -13.938 -6.033 1.00 0.00 N ATOM 302 CA LEU A 20 -10.871 -12.980 -5.267 1.00 0.00 C ATOM 303 C LEU A 20 -11.582 -12.586 -3.972 1.00 0.00 C ATOM 304 O LEU A 20 -12.812 -12.585 -3.903 1.00 0.00 O ATOM 305 CB LEU A 20 -10.589 -11.735 -6.111 1.00 0.00 C ATOM 306 CG LEU A 20 -9.720 -11.963 -7.351 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.614 -10.684 -8.167 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.335 -12.457 -6.954 1.00 0.00 C ATOM 0 H LEU A 20 -12.018 -13.577 -6.920 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.926 -13.456 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.541 -11.310 -6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.103 -10.992 -5.479 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.194 -12.729 -7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.993 -10.863 -9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.609 -10.371 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.164 -9.900 -7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.734 -12.613 -7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.853 -11.715 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.426 -13.397 -6.410 1.00 0.00 H new ATOM 320 N GLN A 21 -10.795 -12.248 -2.951 1.00 0.00 N ATOM 321 CA GLN A 21 -11.338 -11.861 -1.649 1.00 0.00 C ATOM 322 C GLN A 21 -10.932 -10.435 -1.275 1.00 0.00 C ATOM 323 O GLN A 21 -9.789 -10.030 -1.491 1.00 0.00 O ATOM 324 CB GLN A 21 -10.865 -12.836 -0.567 1.00 0.00 C ATOM 325 CG GLN A 21 -11.363 -14.261 -0.763 1.00 0.00 C ATOM 326 CD GLN A 21 -12.876 -14.371 -0.698 1.00 0.00 C ATOM 327 OE1 GLN A 21 -13.562 -14.266 -1.716 1.00 0.00 O ATOM 328 NE2 GLN A 21 -13.406 -14.584 0.502 1.00 0.00 N ATOM 0 H GLN A 21 -9.776 -12.234 -3.001 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.425 -11.897 -1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.775 -12.842 -0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.199 -12.475 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.018 -14.632 -1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.924 -14.903 0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.801 -14.665 1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.417 -14.667 0.605 1.00 0.00 H new ATOM 337 N PRO A 22 -11.870 -9.660 -0.691 1.00 0.00 N ATOM 338 CA PRO A 22 -11.617 -8.269 -0.282 1.00 0.00 C ATOM 339 C PRO A 22 -10.439 -8.139 0.686 1.00 0.00 C ATOM 340 O PRO A 22 -10.173 -9.042 1.481 1.00 0.00 O ATOM 341 CB PRO A 22 -12.919 -7.851 0.410 1.00 0.00 C ATOM 342 CG PRO A 22 -13.955 -8.775 -0.129 1.00 0.00 C ATOM 343 CD PRO A 22 -13.252 -10.076 -0.388 1.00 0.00 C ATOM 0 HA PRO A 22 -11.350 -7.647 -1.136 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.836 -7.939 1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.165 -6.812 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.770 -8.906 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.393 -8.379 -1.045 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.293 -10.735 0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.701 -10.617 -1.221 1.00 0.00 H new ATOM 351 N LEU A 23 -9.742 -7.005 0.607 1.00 0.00 N ATOM 352 CA LEU A 23 -8.594 -6.738 1.472 1.00 0.00 C ATOM 353 C LEU A 23 -8.891 -5.575 2.413 1.00 0.00 C ATOM 354 O LEU A 23 -9.636 -4.662 2.061 1.00 0.00 O ATOM 355 CB LEU A 23 -7.361 -6.412 0.629 1.00 0.00 C ATOM 356 CG LEU A 23 -6.024 -6.512 1.368 1.00 0.00 C ATOM 357 CD1 LEU A 23 -5.573 -7.960 1.459 1.00 0.00 C ATOM 358 CD2 LEU A 23 -4.969 -5.662 0.678 1.00 0.00 C ATOM 0 H LEU A 23 -9.954 -6.254 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.399 -7.632 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.337 -7.086 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.466 -5.401 0.235 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.160 -6.132 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.621 -8.012 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.320 -8.541 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.454 -8.368 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.025 -5.745 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.834 -6.010 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.290 -4.621 0.668 1.00 0.00 H new ATOM 370 N THR A 24 -8.308 -5.609 3.611 1.00 0.00 N ATOM 371 CA THR A 24 -8.518 -4.541 4.585 1.00 0.00 C ATOM 372 C THR A 24 -7.327 -4.409 5.532 1.00 0.00 C ATOM 373 O THR A 24 -7.319 -4.992 6.619 1.00 0.00 O ATOM 374 CB THR A 24 -9.806 -4.761 5.410 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.925 -4.964 4.537 1.00 0.00 O ATOM 376 CG2 THR A 24 -10.081 -3.567 6.313 1.00 0.00 C ATOM 0 H THR A 24 -7.692 -6.358 3.928 1.00 0.00 H new ATOM 0 HA THR A 24 -8.624 -3.618 4.014 1.00 0.00 H new ATOM 0 HB THR A 24 -9.662 -5.646 6.029 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.735 -5.104 5.071 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.992 -3.745 6.884 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.245 -3.429 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.203 -2.671 5.704 1.00 0.00 H new ATOM 384 N ILE A 25 -6.316 -3.655 5.109 1.00 0.00 N ATOM 385 CA ILE A 25 -5.120 -3.457 5.925 1.00 0.00 C ATOM 386 C ILE A 25 -4.544 -2.052 5.732 1.00 0.00 C ATOM 387 O ILE A 25 -4.841 -1.380 4.741 1.00 0.00 O ATOM 388 CB ILE A 25 -4.050 -4.526 5.603 1.00 0.00 C ATOM 389 CG1 ILE A 25 -3.015 -4.603 6.727 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.378 -4.238 4.267 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.342 -5.954 6.834 1.00 0.00 C ATOM 0 H ILE A 25 -6.300 -3.173 4.210 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.412 -3.564 6.970 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.546 -5.493 5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.255 -3.839 6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.501 -4.372 7.675 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.630 -5.004 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.127 -4.242 3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.896 -3.261 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.621 -5.937 7.651 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.093 -6.720 7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.827 -6.179 5.900 1.00 0.00 H new ATOM 403 N SER A 26 -3.718 -1.614 6.685 1.00 0.00 N ATOM 404 CA SER A 26 -3.119 -0.283 6.628 1.00 0.00 C ATOM 405 C SER A 26 -1.593 -0.339 6.502 1.00 0.00 C ATOM 406 O SER A 26 -0.994 -1.413 6.445 1.00 0.00 O ATOM 407 CB SER A 26 -3.503 0.511 7.881 1.00 0.00 C ATOM 408 OG SER A 26 -2.845 0.008 9.033 1.00 0.00 O ATOM 0 H SER A 26 -3.451 -2.162 7.503 1.00 0.00 H new ATOM 0 HA SER A 26 -3.505 0.211 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.245 1.561 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.582 0.465 8.027 1.00 0.00 H new ATOM 0 HG SER A 26 -2.157 0.644 9.320 1.00 0.00 H new ATOM 414 N LEU A 27 -0.989 0.849 6.455 1.00 0.00 N ATOM 415 CA LEU A 27 0.463 1.014 6.352 1.00 0.00 C ATOM 416 C LEU A 27 1.210 0.277 7.466 1.00 0.00 C ATOM 417 O LEU A 27 1.992 -0.636 7.200 1.00 0.00 O ATOM 418 CB LEU A 27 0.812 2.507 6.416 1.00 0.00 C ATOM 419 CG LEU A 27 0.057 3.403 5.426 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.602 4.822 5.466 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.140 2.838 4.014 1.00 0.00 C ATOM 0 H LEU A 27 -1.498 1.732 6.488 1.00 0.00 H new ATOM 0 HA LEU A 27 0.775 0.585 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.616 2.865 7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.882 2.620 6.240 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.992 3.428 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.054 5.442 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.485 5.229 6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.659 4.814 5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.402 3.490 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.184 2.777 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.302 1.842 3.994 1.00 0.00 H new ATOM 433 N ASP A 28 0.947 0.669 8.713 1.00 0.00 N ATOM 434 CA ASP A 28 1.612 0.078 9.876 1.00 0.00 C ATOM 435 C ASP A 28 1.326 -1.418 9.992 1.00 0.00 C ATOM 436 O ASP A 28 2.210 -2.199 10.345 1.00 0.00 O ATOM 437 CB ASP A 28 1.168 0.795 11.156 1.00 0.00 C ATOM 438 CG ASP A 28 1.873 0.275 12.395 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.031 0.680 12.633 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.268 -0.536 13.127 1.00 0.00 O ATOM 0 H ASP A 28 0.273 1.399 8.945 1.00 0.00 H new ATOM 0 HA ASP A 28 2.686 0.203 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.361 1.863 11.055 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.092 0.676 11.279 1.00 0.00 H new ATOM 445 N GLU A 29 0.089 -1.809 9.692 1.00 0.00 N ATOM 446 CA GLU A 29 -0.314 -3.210 9.775 1.00 0.00 C ATOM 447 C GLU A 29 0.240 -4.046 8.618 1.00 0.00 C ATOM 448 O GLU A 29 0.294 -5.274 8.720 1.00 0.00 O ATOM 449 CB GLU A 29 -1.840 -3.320 9.804 1.00 0.00 C ATOM 450 CG GLU A 29 -2.478 -2.628 10.998 1.00 0.00 C ATOM 451 CD GLU A 29 -1.957 -3.147 12.326 1.00 0.00 C ATOM 452 OE1 GLU A 29 -2.528 -4.127 12.847 1.00 0.00 O ATOM 453 OE2 GLU A 29 -0.976 -2.571 12.844 1.00 0.00 O ATOM 0 H GLU A 29 -0.651 -1.175 9.389 1.00 0.00 H new ATOM 0 HA GLU A 29 0.105 -3.608 10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.244 -2.891 8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.120 -4.373 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.291 -1.556 10.933 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.558 -2.766 10.958 1.00 0.00 H new ATOM 460 N LEU A 30 0.658 -3.397 7.524 1.00 0.00 N ATOM 461 CA LEU A 30 1.176 -4.131 6.370 1.00 0.00 C ATOM 462 C LEU A 30 2.673 -3.878 6.113 1.00 0.00 C ATOM 463 O LEU A 30 3.195 -4.272 5.071 1.00 0.00 O ATOM 464 CB LEU A 30 0.350 -3.795 5.123 1.00 0.00 C ATOM 465 CG LEU A 30 0.605 -4.682 3.899 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.265 -6.133 4.205 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.203 -4.187 2.708 1.00 0.00 C ATOM 0 H LEU A 30 0.647 -2.383 7.417 1.00 0.00 H new ATOM 0 HA LEU A 30 1.081 -5.192 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.707 -3.859 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.548 -2.760 4.846 1.00 0.00 H new ATOM 0 HG LEU A 30 1.664 -4.625 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.453 -6.745 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.884 -6.486 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.786 -6.210 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.011 -4.827 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.265 -4.215 2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.088 -3.163 2.471 1.00 0.00 H new ATOM 479 N PHE A 31 3.368 -3.243 7.069 1.00 0.00 N ATOM 480 CA PHE A 31 4.805 -2.995 6.902 1.00 0.00 C ATOM 481 C PHE A 31 5.572 -3.385 8.164 1.00 0.00 C ATOM 482 O PHE A 31 5.120 -3.124 9.281 1.00 0.00 O ATOM 483 CB PHE A 31 5.102 -1.536 6.522 1.00 0.00 C ATOM 484 CG PHE A 31 4.430 -1.069 5.257 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.422 -1.862 4.119 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.808 0.169 5.209 1.00 0.00 C ATOM 487 CE1 PHE A 31 3.804 -1.429 2.962 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.191 0.605 4.054 1.00 0.00 C ATOM 489 CZ PHE A 31 3.187 -0.195 2.930 1.00 0.00 C ATOM 0 H PHE A 31 2.970 -2.900 7.943 1.00 0.00 H new ATOM 0 HA PHE A 31 5.143 -3.621 6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.791 -0.890 7.343 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.180 -1.415 6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.904 -2.828 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.806 0.800 6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.804 -2.056 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.711 1.572 4.030 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.702 0.144 2.027 1.00 0.00 H new ATOM 499 N SER A 32 6.734 -4.011 7.975 1.00 0.00 N ATOM 500 CA SER A 32 7.560 -4.461 9.096 1.00 0.00 C ATOM 501 C SER A 32 9.031 -4.074 8.911 1.00 0.00 C ATOM 502 O SER A 32 9.927 -4.849 9.254 1.00 0.00 O ATOM 503 CB SER A 32 7.452 -5.984 9.211 1.00 0.00 C ATOM 504 OG SER A 32 7.704 -6.614 7.965 1.00 0.00 O ATOM 0 H SER A 32 7.125 -4.218 7.056 1.00 0.00 H new ATOM 0 HA SER A 32 7.197 -3.976 10.002 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.162 -6.346 9.954 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.457 -6.255 9.563 1.00 0.00 H new ATOM 0 HG SER A 32 7.629 -7.586 8.069 1.00 0.00 H new ATOM 510 N SER A 33 9.279 -2.871 8.388 1.00 0.00 N ATOM 511 CA SER A 33 10.649 -2.404 8.165 1.00 0.00 C ATOM 512 C SER A 33 10.675 -0.979 7.613 1.00 0.00 C ATOM 513 O SER A 33 9.885 -0.633 6.733 1.00 0.00 O ATOM 514 CB SER A 33 11.385 -3.356 7.214 1.00 0.00 C ATOM 515 OG SER A 33 12.577 -2.774 6.713 1.00 0.00 O ATOM 0 H SER A 33 8.555 -2.207 8.113 1.00 0.00 H new ATOM 0 HA SER A 33 11.159 -2.396 9.128 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.623 -4.282 7.737 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.731 -3.619 6.383 1.00 0.00 H new ATOM 0 HG SER A 33 13.023 -3.407 6.112 1.00 0.00 H new ATOM 521 N ARG A 34 11.587 -0.154 8.139 1.00 0.00 N ATOM 522 CA ARG A 34 11.724 1.229 7.682 1.00 0.00 C ATOM 523 C ARG A 34 12.164 1.265 6.221 1.00 0.00 C ATOM 524 O ARG A 34 11.575 1.977 5.407 1.00 0.00 O ATOM 525 CB ARG A 34 12.727 1.997 8.550 1.00 0.00 C ATOM 526 CG ARG A 34 12.216 2.303 9.949 1.00 0.00 C ATOM 527 CD ARG A 34 13.142 3.261 10.685 1.00 0.00 C ATOM 528 NE ARG A 34 13.209 4.571 10.032 1.00 0.00 N ATOM 529 CZ ARG A 34 14.028 5.556 10.413 1.00 0.00 C ATOM 530 NH1 ARG A 34 14.858 5.389 11.439 1.00 0.00 N ATOM 531 NH2 ARG A 34 14.017 6.714 9.760 1.00 0.00 N ATOM 0 H ARG A 34 12.238 -0.420 8.878 1.00 0.00 H new ATOM 0 HA ARG A 34 10.751 1.711 7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.646 1.416 8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.982 2.933 8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.218 2.737 9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.126 1.376 10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.795 3.385 11.711 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.142 2.830 10.737 1.00 0.00 H new ATOM 0 HE ARG A 34 12.592 4.742 9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.874 4.503 11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.479 6.147 11.721 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.385 6.849 8.971 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.641 7.468 10.048 1.00 0.00 H new ATOM 545 N GLY A 35 13.208 0.493 5.898 1.00 0.00 N ATOM 546 CA GLY A 35 13.694 0.429 4.530 1.00 0.00 C ATOM 547 C GLY A 35 12.635 -0.098 3.579 1.00 0.00 C ATOM 548 O GLY A 35 12.556 0.338 2.430 1.00 0.00 O ATOM 0 H GLY A 35 13.722 -0.087 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.008 1.422 4.209 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.574 -0.213 4.487 1.00 0.00 H new ATOM 552 N GLU A 36 11.823 -1.045 4.062 1.00 0.00 N ATOM 553 CA GLU A 36 10.740 -1.608 3.261 1.00 0.00 C ATOM 554 C GLU A 36 9.748 -0.505 2.899 1.00 0.00 C ATOM 555 O GLU A 36 9.274 -0.433 1.765 1.00 0.00 O ATOM 556 CB GLU A 36 10.032 -2.731 4.027 1.00 0.00 C ATOM 557 CG GLU A 36 8.802 -3.284 3.318 1.00 0.00 C ATOM 558 CD GLU A 36 9.133 -3.985 2.012 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.217 -3.296 0.972 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.305 -5.221 2.029 1.00 0.00 O ATOM 0 H GLU A 36 11.898 -1.434 5.002 1.00 0.00 H new ATOM 0 HA GLU A 36 11.157 -2.031 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.738 -3.544 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.737 -2.358 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.292 -3.984 3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.107 -2.468 3.120 1.00 0.00 H new ATOM 567 N PHE A 37 9.441 0.354 3.880 1.00 0.00 N ATOM 568 CA PHE A 37 8.531 1.477 3.669 1.00 0.00 C ATOM 569 C PHE A 37 9.054 2.363 2.539 1.00 0.00 C ATOM 570 O PHE A 37 8.292 2.805 1.679 1.00 0.00 O ATOM 571 CB PHE A 37 8.385 2.292 4.960 1.00 0.00 C ATOM 572 CG PHE A 37 7.316 3.347 4.898 1.00 0.00 C ATOM 573 CD1 PHE A 37 5.999 3.034 5.192 1.00 0.00 C ATOM 574 CD2 PHE A 37 7.630 4.651 4.550 1.00 0.00 C ATOM 575 CE1 PHE A 37 5.014 4.002 5.140 1.00 0.00 C ATOM 576 CE2 PHE A 37 6.650 5.623 4.497 1.00 0.00 C ATOM 577 CZ PHE A 37 5.340 5.297 4.792 1.00 0.00 C ATOM 0 H PHE A 37 9.813 0.289 4.828 1.00 0.00 H new ATOM 0 HA PHE A 37 7.550 1.091 3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.164 1.613 5.783 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.339 2.768 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.739 2.022 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.652 4.910 4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.991 3.745 5.371 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.907 6.636 4.225 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.572 6.055 4.750 1.00 0.00 H new ATOM 587 N ILE A 38 10.359 2.639 2.566 1.00 0.00 N ATOM 588 CA ILE A 38 11.001 3.441 1.530 1.00 0.00 C ATOM 589 C ILE A 38 10.786 2.830 0.145 1.00 0.00 C ATOM 590 O ILE A 38 10.367 3.526 -0.782 1.00 0.00 O ATOM 591 CB ILE A 38 12.518 3.585 1.793 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.766 4.250 3.153 1.00 0.00 C ATOM 593 CG2 ILE A 38 13.186 4.379 0.678 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.008 5.549 3.346 1.00 0.00 C ATOM 0 H ILE A 38 10.992 2.316 3.298 1.00 0.00 H new ATOM 0 HA ILE A 38 10.539 4.428 1.560 1.00 0.00 H new ATOM 0 HB ILE A 38 12.959 2.588 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.484 3.555 3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.833 4.443 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.253 4.468 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.041 3.865 -0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.743 5.373 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.234 5.959 4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.307 6.262 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.937 5.360 3.269 1.00 0.00 H new ATOM 606 N SER A 39 11.071 1.528 0.007 1.00 0.00 N ATOM 607 CA SER A 39 10.910 0.844 -1.279 1.00 0.00 C ATOM 608 C SER A 39 9.465 0.949 -1.758 1.00 0.00 C ATOM 609 O SER A 39 9.197 1.579 -2.783 1.00 0.00 O ATOM 610 CB SER A 39 11.339 -0.623 -1.179 1.00 0.00 C ATOM 611 OG SER A 39 12.694 -0.735 -0.778 1.00 0.00 O ATOM 0 H SER A 39 11.411 0.934 0.763 1.00 0.00 H new ATOM 0 HA SER A 39 11.556 1.333 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.701 -1.143 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.201 -1.111 -2.144 1.00 0.00 H new ATOM 0 HG SER A 39 12.941 -1.682 -0.721 1.00 0.00 H new ATOM 617 N VAL A 40 8.544 0.303 -1.028 1.00 0.00 N ATOM 618 CA VAL A 40 7.118 0.283 -1.383 1.00 0.00 C ATOM 619 C VAL A 40 6.616 1.573 -2.032 1.00 0.00 C ATOM 620 O VAL A 40 5.797 1.512 -2.951 1.00 0.00 O ATOM 621 CB VAL A 40 6.216 -0.066 -0.176 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.455 -1.499 0.276 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.434 0.901 0.974 1.00 0.00 C ATOM 0 H VAL A 40 8.765 -0.218 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 40 7.045 -0.507 -2.130 1.00 0.00 H new ATOM 0 HB VAL A 40 5.179 0.027 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.811 -1.725 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.228 -2.182 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.498 -1.619 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.785 0.628 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.475 0.856 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.199 1.914 0.647 1.00 0.00 H new ATOM 633 N GLY A 41 7.088 2.738 -1.575 1.00 0.00 N ATOM 634 CA GLY A 41 6.643 3.996 -2.157 1.00 0.00 C ATOM 635 C GLY A 41 6.213 5.005 -1.104 1.00 0.00 C ATOM 636 O GLY A 41 5.253 5.749 -1.311 1.00 0.00 O ATOM 0 H GLY A 41 7.765 2.830 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.449 4.421 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.810 3.805 -2.834 1.00 0.00 H new ATOM 640 N GLY A 42 6.935 5.045 0.023 1.00 0.00 N ATOM 641 CA GLY A 42 6.591 5.960 1.098 1.00 0.00 C ATOM 642 C GLY A 42 7.627 7.046 1.315 1.00 0.00 C ATOM 643 O GLY A 42 8.654 6.814 1.955 1.00 0.00 O ATOM 0 H GLY A 42 7.750 4.459 0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.629 6.424 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.468 5.395 2.022 1.00 0.00 H new ATOM 647 N ASP A 43 7.351 8.231 0.779 1.00 0.00 N ATOM 648 CA ASP A 43 8.227 9.383 0.970 1.00 0.00 C ATOM 649 C ASP A 43 7.749 10.148 2.206 1.00 0.00 C ATOM 650 O ASP A 43 8.324 9.999 3.286 1.00 0.00 O ATOM 651 CB ASP A 43 8.218 10.284 -0.271 1.00 0.00 C ATOM 652 CG ASP A 43 8.862 9.619 -1.474 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.141 8.935 -2.231 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.086 9.780 -1.657 1.00 0.00 O ATOM 0 H ASP A 43 6.527 8.419 0.208 1.00 0.00 H new ATOM 0 HA ASP A 43 9.254 9.049 1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.190 10.552 -0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.745 11.212 -0.047 1.00 0.00 H new ATOM 659 N GLY A 44 6.701 10.959 2.052 1.00 0.00 N ATOM 660 CA GLY A 44 6.186 11.722 3.176 1.00 0.00 C ATOM 661 C GLY A 44 4.732 12.110 3.006 1.00 0.00 C ATOM 662 O GLY A 44 3.861 11.593 3.701 1.00 0.00 O ATOM 0 H GLY A 44 6.203 11.099 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.296 11.136 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.785 12.624 3.302 1.00 0.00 H new ATOM 666 N ARG A 45 4.469 13.031 2.085 1.00 0.00 N ATOM 667 CA ARG A 45 3.111 13.492 1.832 1.00 0.00 C ATOM 668 C ARG A 45 2.416 12.603 0.804 1.00 0.00 C ATOM 669 O ARG A 45 2.657 12.720 -0.400 1.00 0.00 O ATOM 670 CB ARG A 45 3.128 14.950 1.363 1.00 0.00 C ATOM 671 CG ARG A 45 3.534 15.937 2.452 1.00 0.00 C ATOM 672 CD ARG A 45 4.940 15.663 2.972 1.00 0.00 C ATOM 673 NE ARG A 45 5.454 16.763 3.790 1.00 0.00 N ATOM 674 CZ ARG A 45 6.487 16.649 4.630 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.121 15.487 4.770 1.00 0.00 N ATOM 676 NH2 ARG A 45 6.888 17.704 5.332 1.00 0.00 N ATOM 0 H ARG A 45 5.180 13.472 1.502 1.00 0.00 H new ATOM 0 HA ARG A 45 2.547 13.431 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.817 15.045 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.137 15.216 0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.484 16.952 2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.824 15.879 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.935 14.746 3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.611 15.496 2.129 1.00 0.00 H new ATOM 0 HE ARG A 45 4.996 17.671 3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.819 14.674 4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.908 15.410 5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.408 18.598 5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.676 17.620 5.974 1.00 0.00 H new ATOM 690 N MET A 46 1.559 11.706 1.294 1.00 0.00 N ATOM 691 CA MET A 46 0.820 10.790 0.430 1.00 0.00 C ATOM 692 C MET A 46 -0.546 11.375 0.075 1.00 0.00 C ATOM 693 O MET A 46 -1.011 12.319 0.721 1.00 0.00 O ATOM 694 CB MET A 46 0.652 9.433 1.122 1.00 0.00 C ATOM 695 CG MET A 46 0.497 8.264 0.160 1.00 0.00 C ATOM 696 SD MET A 46 2.073 7.514 -0.295 1.00 0.00 S ATOM 697 CE MET A 46 2.788 8.799 -1.319 1.00 0.00 C ATOM 0 H MET A 46 1.360 11.596 2.288 1.00 0.00 H new ATOM 0 HA MET A 46 1.385 10.648 -0.491 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.517 9.253 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.222 9.474 1.772 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.141 7.507 0.616 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.010 8.607 -0.742 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.579 8.374 -1.937 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.016 9.225 -1.960 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.205 9.581 -0.684 1.00 0.00 H new ATOM 707 N SER A 47 -1.190 10.814 -0.947 1.00 0.00 N ATOM 708 CA SER A 47 -2.495 11.298 -1.385 1.00 0.00 C ATOM 709 C SER A 47 -3.641 10.608 -0.646 1.00 0.00 C ATOM 710 O SER A 47 -4.324 11.223 0.176 1.00 0.00 O ATOM 711 CB SER A 47 -2.660 11.094 -2.895 1.00 0.00 C ATOM 712 OG SER A 47 -3.872 11.665 -3.360 1.00 0.00 O ATOM 0 H SER A 47 -0.829 10.026 -1.485 1.00 0.00 H new ATOM 0 HA SER A 47 -2.538 12.362 -1.151 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.818 11.545 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.645 10.029 -3.124 1.00 0.00 H new ATOM 0 HG SER A 47 -3.951 11.522 -4.326 1.00 0.00 H new ATOM 718 N HIS A 48 -3.836 9.324 -0.947 1.00 0.00 N ATOM 719 CA HIS A 48 -4.927 8.529 -0.387 1.00 0.00 C ATOM 720 C HIS A 48 -4.898 7.115 -0.964 1.00 0.00 C ATOM 721 O HIS A 48 -4.873 6.138 -0.213 1.00 0.00 O ATOM 722 CB HIS A 48 -6.271 9.190 -0.721 1.00 0.00 C ATOM 723 CG HIS A 48 -7.461 8.338 -0.396 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.122 8.396 0.812 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.106 7.400 -1.129 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.119 7.531 0.810 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.131 6.913 -0.358 1.00 0.00 N ATOM 0 H HIS A 48 -3.238 8.804 -1.589 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.805 8.475 0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.349 10.130 -0.175 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.291 9.436 -1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.859 7.092 -2.134 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.807 7.358 1.624 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.794 6.191 -0.640 1.00 0.00 H new ATOM 736 N LYS A 49 -4.900 7.004 -2.290 1.00 0.00 N ATOM 737 CA LYS A 49 -4.826 5.704 -2.949 1.00 0.00 C ATOM 738 C LYS A 49 -3.385 5.189 -2.959 1.00 0.00 C ATOM 739 O LYS A 49 -3.151 3.981 -3.024 1.00 0.00 O ATOM 740 CB LYS A 49 -5.340 5.815 -4.385 1.00 0.00 C ATOM 741 CG LYS A 49 -6.845 5.630 -4.510 1.00 0.00 C ATOM 742 CD LYS A 49 -7.272 4.226 -4.105 1.00 0.00 C ATOM 743 CE LYS A 49 -8.778 4.045 -4.217 1.00 0.00 C ATOM 744 NZ LYS A 49 -9.186 2.627 -4.013 1.00 0.00 N ATOM 0 H LYS A 49 -4.952 7.798 -2.928 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.448 5.001 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.068 6.792 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.838 5.068 -5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.355 6.361 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.152 5.822 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.769 3.495 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.957 4.031 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.275 4.675 -3.479 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.112 4.381 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.198 2.587 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.012 2.087 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.633 2.215 -3.235 1.00 0.00 H new ATOM 758 N GLU A 50 -2.427 6.116 -2.893 1.00 0.00 N ATOM 759 CA GLU A 50 -1.009 5.778 -2.907 1.00 0.00 C ATOM 760 C GLU A 50 -0.591 5.014 -1.652 1.00 0.00 C ATOM 761 O GLU A 50 0.005 3.941 -1.749 1.00 0.00 O ATOM 762 CB GLU A 50 -0.171 7.052 -3.038 1.00 0.00 C ATOM 763 CG GLU A 50 -0.305 7.740 -4.386 1.00 0.00 C ATOM 764 CD GLU A 50 0.563 8.978 -4.496 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.114 10.058 -4.060 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.693 8.866 -5.015 1.00 0.00 O ATOM 0 H GLU A 50 -2.615 7.117 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.835 5.129 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.464 7.750 -2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.877 6.805 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.035 7.039 -5.176 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.347 8.016 -4.547 1.00 0.00 H new ATOM 773 N ALA A 51 -0.914 5.566 -0.475 1.00 0.00 N ATOM 774 CA ALA A 51 -0.544 4.940 0.798 1.00 0.00 C ATOM 775 C ALA A 51 -0.931 3.468 0.823 1.00 0.00 C ATOM 776 O ALA A 51 -0.065 2.615 1.028 1.00 0.00 O ATOM 777 CB ALA A 51 -1.171 5.682 1.973 1.00 0.00 C ATOM 0 H ALA A 51 -1.429 6.441 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 51 0.540 5.003 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.881 5.198 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.824 6.715 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.257 5.664 1.877 1.00 0.00 H new ATOM 783 N ILE A 52 -2.208 3.152 0.619 1.00 0.00 N ATOM 784 CA ILE A 52 -2.626 1.753 0.654 1.00 0.00 C ATOM 785 C ILE A 52 -1.884 0.969 -0.427 1.00 0.00 C ATOM 786 O ILE A 52 -1.370 -0.119 -0.164 1.00 0.00 O ATOM 787 CB ILE A 52 -4.151 1.587 0.502 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.888 2.469 1.516 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.547 0.126 0.670 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.634 2.087 2.961 1.00 0.00 C ATOM 0 H ILE A 52 -2.952 3.824 0.433 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.369 1.355 1.635 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.437 1.905 -0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.588 3.506 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.959 2.415 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.627 0.027 0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.048 -0.476 -0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.250 -0.220 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.190 2.757 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.961 1.061 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.569 2.169 3.177 1.00 0.00 H new ATOM 802 N LEU A 53 -1.842 1.525 -1.641 1.00 0.00 N ATOM 803 CA LEU A 53 -1.221 0.843 -2.781 1.00 0.00 C ATOM 804 C LEU A 53 0.197 0.348 -2.478 1.00 0.00 C ATOM 805 O LEU A 53 0.636 -0.651 -3.053 1.00 0.00 O ATOM 806 CB LEU A 53 -1.243 1.739 -4.021 1.00 0.00 C ATOM 807 CG LEU A 53 -0.664 1.128 -5.300 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.547 -0.002 -5.805 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.506 2.204 -6.367 1.00 0.00 C ATOM 0 H LEU A 53 -2.229 2.443 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.817 -0.047 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.275 2.031 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.691 2.651 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 53 0.318 0.712 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.117 -0.421 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.615 -0.779 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.544 0.383 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.094 1.760 -7.273 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.479 2.643 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.168 2.980 -6.004 1.00 0.00 H new ATOM 821 N LEU A 54 0.914 1.043 -1.589 1.00 0.00 N ATOM 822 CA LEU A 54 2.273 0.643 -1.208 1.00 0.00 C ATOM 823 C LEU A 54 2.336 -0.840 -0.811 1.00 0.00 C ATOM 824 O LEU A 54 3.350 -1.504 -1.038 1.00 0.00 O ATOM 825 CB LEU A 54 2.771 1.507 -0.044 1.00 0.00 C ATOM 826 CG LEU A 54 3.625 2.720 -0.424 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.871 3.645 -1.364 1.00 0.00 C ATOM 828 CD2 LEU A 54 4.053 3.472 0.828 1.00 0.00 C ATOM 0 H LEU A 54 0.577 1.884 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 54 2.915 0.791 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.905 1.859 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.352 0.875 0.628 1.00 0.00 H new ATOM 0 HG LEU A 54 4.514 2.362 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.501 4.498 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.609 3.104 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.962 3.997 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.660 4.333 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.169 3.812 1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.637 2.811 1.468 1.00 0.00 H new ATOM 840 N GLY A 55 1.247 -1.345 -0.216 1.00 0.00 N ATOM 841 CA GLY A 55 1.187 -2.737 0.217 1.00 0.00 C ATOM 842 C GLY A 55 1.633 -3.726 -0.846 1.00 0.00 C ATOM 843 O GLY A 55 2.371 -4.665 -0.546 1.00 0.00 O ATOM 0 H GLY A 55 0.401 -0.808 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.812 -2.861 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.165 -2.972 0.514 1.00 0.00 H new ATOM 847 N LEU A 56 1.169 -3.529 -2.082 1.00 0.00 N ATOM 848 CA LEU A 56 1.524 -4.418 -3.194 1.00 0.00 C ATOM 849 C LEU A 56 3.033 -4.641 -3.272 1.00 0.00 C ATOM 850 O LEU A 56 3.485 -5.778 -3.399 1.00 0.00 O ATOM 851 CB LEU A 56 1.012 -3.857 -4.523 1.00 0.00 C ATOM 852 CG LEU A 56 -0.470 -3.465 -4.543 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.921 -3.164 -5.964 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.327 -4.563 -3.926 1.00 0.00 C ATOM 0 H LEU A 56 0.547 -2.763 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 56 1.045 -5.379 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.606 -2.980 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.185 -4.599 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.595 -2.563 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.975 -2.887 -5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.331 -2.340 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.780 -4.048 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.375 -4.264 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.200 -5.486 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.021 -4.726 -2.893 1.00 0.00 H new ATOM 866 N ARG A 57 3.808 -3.557 -3.205 1.00 0.00 N ATOM 867 CA ARG A 57 5.268 -3.655 -3.264 1.00 0.00 C ATOM 868 C ARG A 57 5.817 -4.434 -2.065 1.00 0.00 C ATOM 869 O ARG A 57 6.826 -5.130 -2.183 1.00 0.00 O ATOM 870 CB ARG A 57 5.896 -2.261 -3.327 1.00 0.00 C ATOM 871 CG ARG A 57 5.711 -1.565 -4.670 1.00 0.00 C ATOM 872 CD ARG A 57 6.627 -2.146 -5.739 1.00 0.00 C ATOM 873 NE ARG A 57 6.244 -3.507 -6.124 1.00 0.00 N ATOM 874 CZ ARG A 57 7.104 -4.442 -6.541 1.00 0.00 C ATOM 875 NH1 ARG A 57 8.401 -4.168 -6.657 1.00 0.00 N ATOM 876 NH2 ARG A 57 6.663 -5.656 -6.849 1.00 0.00 N ATOM 0 H ARG A 57 3.452 -2.606 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 57 5.532 -4.199 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.461 -1.641 -2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.962 -2.343 -3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.673 -1.661 -4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.913 -0.500 -4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.607 -1.503 -6.619 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.653 -2.151 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 57 5.257 -3.757 -6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.748 -3.237 -6.427 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.048 -4.889 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.670 -5.874 -6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.317 -6.371 -7.167 1.00 0.00 H new ATOM 890 N TYR A 58 5.147 -4.311 -0.917 1.00 0.00 N ATOM 891 CA TYR A 58 5.548 -5.027 0.293 1.00 0.00 C ATOM 892 C TYR A 58 5.396 -6.536 0.091 1.00 0.00 C ATOM 893 O TYR A 58 6.299 -7.313 0.408 1.00 0.00 O ATOM 894 CB TYR A 58 4.692 -4.572 1.481 1.00 0.00 C ATOM 895 CG TYR A 58 4.932 -5.358 2.751 1.00 0.00 C ATOM 896 CD1 TYR A 58 5.952 -5.009 3.626 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.134 -6.448 3.077 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.172 -5.724 4.787 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.346 -7.167 4.236 1.00 0.00 C ATOM 900 CZ TYR A 58 5.366 -6.802 5.088 1.00 0.00 C ATOM 901 OH TYR A 58 5.579 -7.517 6.244 1.00 0.00 O ATOM 0 H TYR A 58 4.323 -3.721 -0.801 1.00 0.00 H new ATOM 0 HA TYR A 58 6.594 -4.803 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.890 -3.518 1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.640 -4.653 1.209 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.584 -4.164 3.395 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.334 -6.738 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.971 -5.440 5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.716 -8.011 4.474 1.00 0.00 H new ATOM 0 HH TYR A 58 6.322 -7.118 6.743 1.00 0.00 H new ATOM 911 N LYS A 59 4.238 -6.929 -0.442 1.00 0.00 N ATOM 912 CA LYS A 59 3.926 -8.331 -0.712 1.00 0.00 C ATOM 913 C LYS A 59 4.543 -8.814 -2.032 1.00 0.00 C ATOM 914 O LYS A 59 4.509 -10.010 -2.331 1.00 0.00 O ATOM 915 CB LYS A 59 2.407 -8.516 -0.764 1.00 0.00 C ATOM 916 CG LYS A 59 1.710 -8.262 0.565 1.00 0.00 C ATOM 917 CD LYS A 59 2.041 -9.339 1.588 1.00 0.00 C ATOM 918 CE LYS A 59 1.314 -9.102 2.902 1.00 0.00 C ATOM 919 NZ LYS A 59 1.553 -10.200 3.880 1.00 0.00 N ATOM 0 H LYS A 59 3.491 -6.283 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 59 4.354 -8.927 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.994 -7.842 -1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.185 -9.532 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.009 -7.288 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.632 -8.226 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.767 -10.316 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.117 -9.357 1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.643 -8.156 3.332 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.244 -9.012 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.039 -9.998 4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.216 -11.100 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.571 -10.270 4.081 1.00 0.00 H new ATOM 933 N LYS A 60 5.101 -7.885 -2.818 1.00 0.00 N ATOM 934 CA LYS A 60 5.712 -8.213 -4.106 1.00 0.00 C ATOM 935 C LYS A 60 4.662 -8.744 -5.083 1.00 0.00 C ATOM 936 O LYS A 60 4.660 -9.927 -5.433 1.00 0.00 O ATOM 937 CB LYS A 60 6.851 -9.226 -3.931 1.00 0.00 C ATOM 938 CG LYS A 60 8.008 -8.707 -3.089 1.00 0.00 C ATOM 939 CD LYS A 60 8.622 -7.445 -3.683 1.00 0.00 C ATOM 940 CE LYS A 60 9.203 -7.692 -5.070 1.00 0.00 C ATOM 941 NZ LYS A 60 10.338 -8.658 -5.040 1.00 0.00 N ATOM 0 H LYS A 60 5.140 -6.894 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 60 6.135 -7.298 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.454 -10.130 -3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.227 -9.510 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.657 -8.499 -2.078 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.773 -9.479 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.863 -6.665 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.406 -7.077 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.421 -8.073 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.543 -6.747 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.788 -8.694 -5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.035 -8.352 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.983 -9.603 -4.791 1.00 0.00 H new ATOM 955 N LEU A 61 3.764 -7.854 -5.508 1.00 0.00 N ATOM 956 CA LEU A 61 2.699 -8.223 -6.445 1.00 0.00 C ATOM 957 C LEU A 61 1.959 -7.000 -7.001 1.00 0.00 C ATOM 958 O LEU A 61 0.771 -7.081 -7.317 1.00 0.00 O ATOM 959 CB LEU A 61 1.711 -9.185 -5.769 1.00 0.00 C ATOM 960 CG LEU A 61 1.422 -8.902 -4.288 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.785 -7.533 -4.109 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.529 -9.986 -3.705 1.00 0.00 C ATOM 0 H LEU A 61 3.752 -6.876 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 61 3.170 -8.722 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.769 -9.155 -6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.100 -10.199 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 61 2.370 -8.906 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.591 -7.358 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.461 -6.765 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.154 -7.493 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.334 -9.771 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.414 -10.013 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.026 -10.952 -3.791 1.00 0.00 H new ATOM 974 N TYR A 62 2.665 -5.877 -7.146 1.00 0.00 N ATOM 975 CA TYR A 62 2.066 -4.648 -7.676 1.00 0.00 C ATOM 976 C TYR A 62 1.563 -4.821 -9.119 1.00 0.00 C ATOM 977 O TYR A 62 0.757 -4.018 -9.598 1.00 0.00 O ATOM 978 CB TYR A 62 3.090 -3.506 -7.608 1.00 0.00 C ATOM 979 CG TYR A 62 2.650 -2.239 -8.307 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.706 -1.399 -7.733 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.176 -1.887 -9.544 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.300 -0.243 -8.370 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.776 -0.732 -10.187 1.00 0.00 C ATOM 984 CZ TYR A 62 1.837 0.087 -9.596 1.00 0.00 C ATOM 985 OH TYR A 62 1.432 1.237 -10.237 1.00 0.00 O ATOM 0 H TYR A 62 3.652 -5.792 -6.904 1.00 0.00 H new ATOM 0 HA TYR A 62 1.200 -4.409 -7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.295 -3.278 -6.562 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.027 -3.846 -8.050 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.282 -1.654 -6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.910 -2.527 -10.010 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.565 0.400 -7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.196 -0.472 -11.147 1.00 0.00 H new ATOM 0 HH TYR A 62 1.908 1.322 -11.089 1.00 0.00 H new ATOM 995 N ASN A 63 2.029 -5.869 -9.804 1.00 0.00 N ATOM 996 CA ASN A 63 1.639 -6.123 -11.192 1.00 0.00 C ATOM 997 C ASN A 63 0.156 -6.493 -11.332 1.00 0.00 C ATOM 998 O ASN A 63 -0.621 -5.726 -11.906 1.00 0.00 O ATOM 999 CB ASN A 63 2.513 -7.232 -11.792 1.00 0.00 C ATOM 1000 CG ASN A 63 3.972 -6.826 -11.909 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.386 -6.248 -12.914 1.00 0.00 O ATOM 1002 ND2 ASN A 63 4.762 -7.130 -10.883 1.00 0.00 N ATOM 0 H ASN A 63 2.678 -6.555 -9.419 1.00 0.00 H new ATOM 0 HA ASN A 63 1.792 -5.193 -11.740 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.437 -8.125 -11.172 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.133 -7.496 -12.779 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.751 -6.883 -10.911 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.378 -7.610 -10.069 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.235 -7.658 -10.807 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.623 -8.125 -10.920 1.00 0.00 C ATOM 1011 C GLN A 64 -2.479 -7.773 -9.696 1.00 0.00 C ATOM 1012 O GLN A 64 -3.686 -8.019 -9.718 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.655 -9.638 -11.161 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.002 -10.454 -10.053 1.00 0.00 C ATOM 1015 CD GLN A 64 -1.057 -11.950 -10.310 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -1.056 -12.396 -11.458 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -1.103 -12.736 -9.239 1.00 0.00 N ATOM 0 H GLN A 64 0.384 -8.292 -10.302 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.058 -7.602 -11.772 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.692 -9.957 -11.271 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.153 -9.856 -12.104 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.038 -10.147 -9.947 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.497 -10.234 -9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.102 -12.326 -8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.139 -13.749 -9.351 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.901 -7.205 -8.641 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.688 -6.877 -7.450 1.00 0.00 C ATOM 1028 C ALA A 65 -3.526 -5.616 -7.651 1.00 0.00 C ATOM 1029 O ALA A 65 -4.700 -5.575 -7.278 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.782 -6.718 -6.242 1.00 0.00 C ATOM 0 H ALA A 65 -0.911 -6.965 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.374 -7.705 -7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.383 -6.474 -5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.244 -7.649 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.067 -5.916 -6.426 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.915 -4.588 -8.242 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.597 -3.318 -8.492 1.00 0.00 C ATOM 1038 C ARG A 66 -4.739 -3.473 -9.503 1.00 0.00 C ATOM 1039 O ARG A 66 -5.704 -2.708 -9.473 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.594 -2.275 -8.990 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.182 -0.882 -9.151 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.113 0.137 -9.508 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.340 -0.267 -10.684 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.619 0.106 -11.936 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -2.661 0.895 -12.195 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.853 -0.317 -12.936 1.00 0.00 N ATOM 0 H ARG A 66 -1.945 -4.611 -8.557 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.033 -2.985 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.758 -2.227 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.191 -2.602 -9.949 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.946 -0.896 -9.928 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.674 -0.585 -8.225 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.582 1.103 -9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.441 0.269 -8.660 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.534 -0.874 -10.537 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.256 1.221 -11.433 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.864 1.173 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.056 -0.924 -12.746 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.062 -0.035 -13.894 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.626 -4.461 -10.394 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.650 -4.699 -11.410 1.00 0.00 C ATOM 1062 C VAL A 67 -6.738 -5.659 -10.911 1.00 0.00 C ATOM 1063 O VAL A 67 -7.903 -5.534 -11.292 1.00 0.00 O ATOM 1064 CB VAL A 67 -5.033 -5.253 -12.716 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.440 -6.639 -12.501 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -6.066 -5.274 -13.834 1.00 0.00 C ATOM 0 H VAL A 67 -3.837 -5.107 -10.431 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.109 -3.732 -11.617 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.223 -4.587 -13.012 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.014 -7.002 -13.437 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.659 -6.587 -11.743 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.222 -7.322 -12.170 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.611 -5.667 -14.743 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.903 -5.909 -13.544 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.425 -4.261 -14.017 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.355 -6.611 -10.053 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.304 -7.584 -9.509 1.00 0.00 C ATOM 1078 C LYS A 68 -8.253 -6.963 -8.479 1.00 0.00 C ATOM 1079 O LYS A 68 -9.249 -7.583 -8.103 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.559 -8.760 -8.873 1.00 0.00 C ATOM 1081 CG LYS A 68 -6.110 -9.809 -9.877 1.00 0.00 C ATOM 1082 CD LYS A 68 -5.395 -10.963 -9.195 1.00 0.00 C ATOM 1083 CE LYS A 68 -4.993 -12.037 -10.195 1.00 0.00 C ATOM 1084 NZ LYS A 68 -4.404 -13.229 -9.524 1.00 0.00 N ATOM 0 H LYS A 68 -5.397 -6.727 -9.722 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.907 -7.936 -10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.686 -8.382 -8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.205 -9.231 -8.132 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.975 -10.187 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.447 -9.351 -10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.508 -10.591 -8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.044 -11.397 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.866 -12.340 -10.773 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.272 -11.624 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.036 -13.885 -10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.629 -12.928 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.136 -13.707 -8.961 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.943 -5.751 -8.014 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.785 -5.076 -7.029 1.00 0.00 C ATOM 1100 C TYR A 69 -8.948 -3.593 -7.354 1.00 0.00 C ATOM 1101 O TYR A 69 -8.173 -3.028 -8.129 1.00 0.00 O ATOM 1102 CB TYR A 69 -8.196 -5.254 -5.629 1.00 0.00 C ATOM 1103 CG TYR A 69 -8.226 -6.686 -5.146 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -7.186 -7.560 -5.437 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -9.299 -7.166 -4.408 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -7.215 -8.871 -5.007 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -9.335 -8.475 -3.972 1.00 0.00 C ATOM 1108 CZ TYR A 69 -8.292 -9.325 -4.274 1.00 0.00 C ATOM 1109 OH TYR A 69 -8.327 -10.633 -3.843 1.00 0.00 O ATOM 0 H TYR A 69 -7.120 -5.221 -8.302 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.775 -5.531 -7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.165 -4.899 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.749 -4.629 -4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.341 -7.208 -6.009 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.119 -6.504 -4.171 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.399 -9.538 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.176 -8.832 -3.397 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.702 -10.669 -2.938 1.00 0.00 H new ATOM 1119 N SER A 70 -9.968 -2.971 -6.759 1.00 0.00 N ATOM 1120 CA SER A 70 -10.245 -1.554 -6.985 1.00 0.00 C ATOM 1121 C SER A 70 -9.213 -0.670 -6.286 1.00 0.00 C ATOM 1122 O SER A 70 -9.369 -0.319 -5.113 1.00 0.00 O ATOM 1123 CB SER A 70 -11.657 -1.202 -6.506 1.00 0.00 C ATOM 1124 OG SER A 70 -11.986 0.140 -6.825 1.00 0.00 O ATOM 0 H SER A 70 -10.615 -3.428 -6.117 1.00 0.00 H new ATOM 0 HA SER A 70 -10.179 -1.367 -8.057 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.379 -1.876 -6.967 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.726 -1.350 -5.428 1.00 0.00 H new ATOM 0 HG SER A 70 -11.976 0.257 -7.798 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.151 -0.326 -7.014 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.088 0.523 -6.483 1.00 0.00 C ATOM 1132 C LEU A 71 -6.940 1.780 -7.340 1.00 0.00 C ATOM 1133 O LEU A 71 -7.378 2.863 -6.945 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.759 -0.243 -6.423 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.637 -1.260 -5.283 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.504 -2.481 -5.544 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.185 -1.668 -5.086 1.00 0.00 C ATOM 0 H LEU A 71 -8.005 -0.625 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.357 0.819 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.617 -0.765 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.947 0.479 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.992 -0.785 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.398 -3.186 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.547 -2.175 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.190 -2.959 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.117 -2.390 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.806 -2.118 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.590 -0.788 -4.840 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.328 1.629 -8.517 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.133 2.749 -9.432 1.00 0.00 C ATOM 1151 C LEU A 72 -6.847 2.483 -10.756 1.00 0.00 C ATOM 1152 O LEU A 72 -6.237 2.034 -11.729 1.00 0.00 O ATOM 1153 CB LEU A 72 -4.636 3.000 -9.675 1.00 0.00 C ATOM 1154 CG LEU A 72 -3.892 3.730 -8.548 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -4.504 5.100 -8.295 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -3.892 2.900 -7.271 1.00 0.00 C ATOM 0 H LEU A 72 -5.960 0.740 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.561 3.642 -8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.148 2.040 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.528 3.579 -10.592 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.858 3.870 -8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.961 5.599 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.441 5.700 -9.203 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.549 4.984 -8.008 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.359 3.438 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.919 2.720 -6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.398 1.946 -7.457 1.00 0.00 H new ATOM 1168 N GLU A 73 -8.152 2.749 -10.775 1.00 0.00 N ATOM 1169 CA GLU A 73 -8.968 2.537 -11.969 1.00 0.00 C ATOM 1170 C GLU A 73 -10.218 3.421 -11.946 1.00 0.00 C ATOM 1171 O GLU A 73 -11.139 3.137 -11.150 1.00 0.00 O ATOM 1172 CB GLU A 73 -9.359 1.054 -12.112 1.00 0.00 C ATOM 1173 CG GLU A 73 -9.262 0.240 -10.823 1.00 0.00 C ATOM 1174 CD GLU A 73 -10.285 0.649 -9.779 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -11.446 0.198 -9.874 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -9.924 1.416 -8.860 1.00 0.00 O ATOM 0 H GLU A 73 -8.668 3.113 -9.974 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.368 2.819 -12.835 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.381 0.997 -12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.718 0.595 -12.865 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.394 -0.816 -11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.261 0.351 -10.405 1.00 0.00 H new TER 1183 GLU A 73