USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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 50 SER OG : rot 180:sc= 0.0497 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.37 K(o=-0.32,f=0.18) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 25:sc= 0.701 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 17 ASN : amide:sc= -0.924 K(o=-0.92,f=0.012) USER MOD Single : A 18 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.0022) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -30:sc= 0.15 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 176:sc= -1.74! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 161:sc=-0.00366 (180deg=-0.277) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00579 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.816 X(o=-0.82,f=-1.2) USER MOD Single : A 61 ASN : amide:sc= 0.123 K(o=0.12,f=-0.46) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= -0.0584 (180deg=-0.807) USER MOD Single : A 74 THR OG1 : rot 98:sc= 1.17 USER MOD Single : A 77 TYR OH : rot 23:sc= 0.858 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 27:sc= -0.553 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 175:sc= 0.00152 USER MOD Single : A 97 GLN : amide:sc=-0.00327 K(o=-0.0033,f=-1.2) USER MOD Single : A 104 GLN : amide:sc= -1.36 K(o=-1.4,f=-1.9) USER MOD Single : A 109 THR OG1 : rot 47:sc= 0.62 USER MOD Single : A 112 ASN : amide:sc= -0.0418 K(o=-0.042,f=-1.5!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.504 40.922 14.886 1.00 0.00 N ATOM 2 CA GLY A 1 3.821 41.619 13.812 1.00 0.00 C ATOM 3 C GLY A 1 4.208 41.095 12.443 1.00 0.00 C ATOM 4 O GLY A 1 5.386 40.870 12.168 1.00 0.00 O ATOM 0 H1 GLY A 1 4.206 41.317 15.801 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.265 39.911 14.851 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.532 41.039 14.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.744 41.519 13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.051 42.683 13.869 1.00 0.00 H new ATOM 8 N SER A 2 3.214 40.900 11.583 1.00 0.00 N ATOM 9 CA SER A 2 3.456 40.395 10.237 1.00 0.00 C ATOM 10 C SER A 2 2.423 40.943 9.257 1.00 0.00 C ATOM 11 O SER A 2 1.494 41.650 9.647 1.00 0.00 O ATOM 12 CB SER A 2 3.421 38.866 10.229 1.00 0.00 C ATOM 13 OG SER A 2 4.479 38.327 11.003 1.00 0.00 O ATOM 0 H SER A 2 2.233 41.084 11.794 1.00 0.00 H new ATOM 0 HA SER A 2 4.444 40.731 9.922 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.465 38.519 10.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.495 38.503 9.204 1.00 0.00 H new ATOM 0 HG SER A 2 4.433 37.348 10.983 1.00 0.00 H new ATOM 19 N SER A 3 2.593 40.612 7.981 1.00 0.00 N ATOM 20 CA SER A 3 1.679 41.074 6.943 1.00 0.00 C ATOM 21 C SER A 3 0.232 41.002 7.422 1.00 0.00 C ATOM 22 O SER A 3 -0.088 40.269 8.356 1.00 0.00 O ATOM 23 CB SER A 3 1.850 40.237 5.674 1.00 0.00 C ATOM 24 OG SER A 3 1.239 38.966 5.814 1.00 0.00 O ATOM 0 H SER A 3 3.355 40.026 7.641 1.00 0.00 H new ATOM 0 HA SER A 3 1.918 42.114 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.412 40.763 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.911 40.112 5.458 1.00 0.00 H new ATOM 0 HG SER A 3 1.361 38.452 4.989 1.00 0.00 H new ATOM 30 N GLY A 4 -0.638 41.770 6.773 1.00 0.00 N ATOM 31 CA GLY A 4 -2.040 41.780 7.146 1.00 0.00 C ATOM 32 C GLY A 4 -2.961 41.715 5.943 1.00 0.00 C ATOM 33 O GLY A 4 -3.001 42.642 5.133 1.00 0.00 O ATOM 0 H GLY A 4 -0.397 42.385 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.244 40.934 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.255 42.684 7.716 1.00 0.00 H new ATOM 37 N SER A 5 -3.701 40.618 5.824 1.00 0.00 N ATOM 38 CA SER A 5 -4.621 40.434 4.708 1.00 0.00 C ATOM 39 C SER A 5 -5.713 39.430 5.064 1.00 0.00 C ATOM 40 O SER A 5 -5.479 38.481 5.813 1.00 0.00 O ATOM 41 CB SER A 5 -3.863 39.961 3.467 1.00 0.00 C ATOM 42 OG SER A 5 -3.248 41.049 2.799 1.00 0.00 O ATOM 0 H SER A 5 -3.682 39.843 6.487 1.00 0.00 H new ATOM 0 HA SER A 5 -5.090 41.394 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.105 39.232 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.550 39.455 2.788 1.00 0.00 H new ATOM 0 HG SER A 5 -3.089 41.776 3.436 1.00 0.00 H new ATOM 48 N SER A 6 -6.908 39.646 4.522 1.00 0.00 N ATOM 49 CA SER A 6 -8.038 38.763 4.785 1.00 0.00 C ATOM 50 C SER A 6 -8.484 38.057 3.508 1.00 0.00 C ATOM 51 O SER A 6 -8.383 38.608 2.413 1.00 0.00 O ATOM 52 CB SER A 6 -9.205 39.556 5.377 1.00 0.00 C ATOM 53 OG SER A 6 -8.914 39.983 6.696 1.00 0.00 O ATOM 0 H SER A 6 -7.118 40.425 3.898 1.00 0.00 H new ATOM 0 HA SER A 6 -7.719 38.009 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.416 40.422 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.103 38.939 5.381 1.00 0.00 H new ATOM 0 HG SER A 6 -9.674 40.489 7.051 1.00 0.00 H new ATOM 59 N GLY A 7 -8.978 36.832 3.659 1.00 0.00 N ATOM 60 CA GLY A 7 -9.432 36.069 2.511 1.00 0.00 C ATOM 61 C GLY A 7 -9.635 34.602 2.833 1.00 0.00 C ATOM 62 O GLY A 7 -8.931 34.023 3.660 1.00 0.00 O ATOM 0 H GLY A 7 -9.072 36.355 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.369 36.491 2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.704 36.164 1.705 1.00 0.00 H new ATOM 66 N PRO A 8 -10.620 33.977 2.171 1.00 0.00 N ATOM 67 CA PRO A 8 -10.938 32.561 2.375 1.00 0.00 C ATOM 68 C PRO A 8 -9.853 31.639 1.829 1.00 0.00 C ATOM 69 O PRO A 8 -9.153 31.965 0.871 1.00 0.00 O ATOM 70 CB PRO A 8 -12.242 32.373 1.596 1.00 0.00 C ATOM 71 CG PRO A 8 -12.216 33.437 0.553 1.00 0.00 C ATOM 72 CD PRO A 8 -11.500 34.606 1.171 1.00 0.00 C ATOM 0 HA PRO A 8 -11.018 32.310 3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.296 31.381 1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.110 32.477 2.246 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.700 33.093 -0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.227 33.713 0.252 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.930 35.166 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.197 35.306 1.632 1.00 0.00 H new ATOM 80 N PRO A 9 -9.710 30.459 2.450 1.00 0.00 N ATOM 81 CA PRO A 9 -8.713 29.465 2.042 1.00 0.00 C ATOM 82 C PRO A 9 -9.047 28.827 0.697 1.00 0.00 C ATOM 83 O PRO A 9 -10.176 28.391 0.469 1.00 0.00 O ATOM 84 CB PRO A 9 -8.775 28.420 3.159 1.00 0.00 C ATOM 85 CG PRO A 9 -10.148 28.550 3.723 1.00 0.00 C ATOM 86 CD PRO A 9 -10.511 30.004 3.599 1.00 0.00 C ATOM 0 HA PRO A 9 -7.726 29.909 1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.599 27.416 2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.016 28.607 3.918 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.854 27.924 3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.174 28.229 4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.578 30.138 3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.265 30.558 4.505 1.00 0.00 H new ATOM 94 N VAL A 10 -8.059 28.776 -0.190 1.00 0.00 N ATOM 95 CA VAL A 10 -8.247 28.190 -1.511 1.00 0.00 C ATOM 96 C VAL A 10 -7.260 27.054 -1.755 1.00 0.00 C ATOM 97 O VAL A 10 -6.055 27.279 -1.870 1.00 0.00 O ATOM 98 CB VAL A 10 -8.083 29.245 -2.622 1.00 0.00 C ATOM 99 CG1 VAL A 10 -6.635 29.699 -2.717 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.567 28.694 -3.955 1.00 0.00 C ATOM 0 H VAL A 10 -7.120 29.134 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.263 27.797 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.694 30.112 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.538 30.444 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.327 30.136 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.000 28.843 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.444 29.452 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.984 27.811 -4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.620 28.424 -3.876 1.00 0.00 H new ATOM 110 N ILE A 11 -7.779 25.833 -1.833 1.00 0.00 N ATOM 111 CA ILE A 11 -6.943 24.662 -2.064 1.00 0.00 C ATOM 112 C ILE A 11 -6.426 24.630 -3.499 1.00 0.00 C ATOM 113 O ILE A 11 -7.148 24.254 -4.422 1.00 0.00 O ATOM 114 CB ILE A 11 -7.710 23.357 -1.779 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.231 23.351 -0.340 1.00 0.00 C ATOM 116 CG2 ILE A 11 -6.817 22.151 -2.029 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.445 22.470 -0.141 1.00 0.00 C ATOM 0 H ILE A 11 -8.774 25.629 -1.740 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.100 24.736 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.563 23.299 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.435 23.015 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.480 24.371 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.374 21.237 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.490 22.150 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.947 22.201 -1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.760 22.514 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.256 22.819 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.195 21.442 -0.401 1.00 0.00 H new ATOM 129 N ARG A 12 -5.170 25.026 -3.678 1.00 0.00 N ATOM 130 CA ARG A 12 -4.555 25.043 -5.000 1.00 0.00 C ATOM 131 C ARG A 12 -4.197 23.630 -5.451 1.00 0.00 C ATOM 132 O ARG A 12 -4.575 23.203 -6.541 1.00 0.00 O ATOM 133 CB ARG A 12 -3.302 25.920 -4.991 1.00 0.00 C ATOM 134 CG ARG A 12 -3.600 27.408 -4.901 1.00 0.00 C ATOM 135 CD ARG A 12 -3.900 28.000 -6.269 1.00 0.00 C ATOM 136 NE ARG A 12 -2.705 28.079 -7.105 1.00 0.00 N ATOM 137 CZ ARG A 12 -2.737 28.104 -8.433 1.00 0.00 C ATOM 138 NH1 ARG A 12 -3.898 28.057 -9.072 1.00 0.00 N ATOM 139 NH2 ARG A 12 -1.607 28.177 -9.124 1.00 0.00 N ATOM 0 H ARG A 12 -4.558 25.339 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.276 25.459 -5.704 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.674 25.632 -4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.728 25.727 -5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.450 27.570 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.748 27.925 -4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.653 27.392 -6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.324 28.997 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.796 28.117 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.769 28.002 -8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.920 28.076 -10.092 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.712 28.214 -8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.633 28.196 -10.143 1.00 0.00 H new ATOM 153 N GLN A 13 -3.466 22.912 -4.604 1.00 0.00 N ATOM 154 CA GLN A 13 -3.057 21.547 -4.917 1.00 0.00 C ATOM 155 C GLN A 13 -3.458 20.589 -3.801 1.00 0.00 C ATOM 156 O GLN A 13 -2.773 20.482 -2.785 1.00 0.00 O ATOM 157 CB GLN A 13 -1.545 21.485 -5.140 1.00 0.00 C ATOM 158 CG GLN A 13 -1.022 20.077 -5.377 1.00 0.00 C ATOM 159 CD GLN A 13 -1.267 19.594 -6.793 1.00 0.00 C ATOM 160 OE1 GLN A 13 -0.744 20.161 -7.753 1.00 0.00 O ATOM 161 NE2 GLN A 13 -2.064 18.542 -6.930 1.00 0.00 N ATOM 0 H GLN A 13 -3.145 23.252 -3.697 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.565 21.242 -5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.287 22.108 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.040 21.910 -4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.048 20.051 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.500 19.393 -4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.476 18.103 -6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.265 18.172 -7.859 1.00 0.00 H new ATOM 170 N GLY A 14 -4.574 19.893 -3.997 1.00 0.00 N ATOM 171 CA GLY A 14 -5.048 18.953 -2.998 1.00 0.00 C ATOM 172 C GLY A 14 -4.892 17.511 -3.439 1.00 0.00 C ATOM 173 O GLY A 14 -4.288 17.217 -4.471 1.00 0.00 O ATOM 0 H GLY A 14 -5.158 19.964 -4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.499 19.107 -2.069 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.098 19.153 -2.785 1.00 0.00 H new ATOM 177 N PRO A 15 -5.444 16.583 -2.645 1.00 0.00 N ATOM 178 CA PRO A 15 -5.376 15.148 -2.938 1.00 0.00 C ATOM 179 C PRO A 15 -6.224 14.762 -4.145 1.00 0.00 C ATOM 180 O PRO A 15 -7.313 15.299 -4.348 1.00 0.00 O ATOM 181 CB PRO A 15 -5.928 14.499 -1.666 1.00 0.00 C ATOM 182 CG PRO A 15 -6.809 15.538 -1.063 1.00 0.00 C ATOM 183 CD PRO A 15 -6.179 16.861 -1.399 1.00 0.00 C ATOM 0 HA PRO A 15 -4.364 14.831 -3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.486 13.591 -1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.125 14.217 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.820 15.474 -1.465 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.886 15.406 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.929 17.639 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.512 17.201 -0.607 1.00 0.00 H new ATOM 191 N VAL A 16 -5.719 13.827 -4.943 1.00 0.00 N ATOM 192 CA VAL A 16 -6.431 13.367 -6.129 1.00 0.00 C ATOM 193 C VAL A 16 -6.611 11.853 -6.110 1.00 0.00 C ATOM 194 O VAL A 16 -5.813 11.131 -5.514 1.00 0.00 O ATOM 195 CB VAL A 16 -5.692 13.770 -7.419 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.561 15.282 -7.510 1.00 0.00 C ATOM 197 CG2 VAL A 16 -4.325 13.104 -7.479 1.00 0.00 C ATOM 0 H VAL A 16 -4.819 13.373 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.410 13.846 -6.116 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.276 13.428 -8.273 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.036 15.547 -8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.553 15.733 -7.516 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.000 15.651 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.816 13.399 -8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.731 13.414 -6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.447 12.021 -7.464 1.00 0.00 H new ATOM 207 N ASN A 17 -7.663 11.380 -6.769 1.00 0.00 N ATOM 208 CA ASN A 17 -7.948 9.951 -6.828 1.00 0.00 C ATOM 209 C ASN A 17 -6.679 9.155 -7.117 1.00 0.00 C ATOM 210 O ASN A 17 -6.001 9.392 -8.116 1.00 0.00 O ATOM 211 CB ASN A 17 -9.000 9.663 -7.901 1.00 0.00 C ATOM 212 CG ASN A 17 -8.754 10.447 -9.176 1.00 0.00 C ATOM 213 OD1 ASN A 17 -8.098 9.964 -10.099 1.00 0.00 O ATOM 214 ND2 ASN A 17 -9.282 11.665 -9.232 1.00 0.00 N ATOM 0 H ASN A 17 -8.332 11.965 -7.270 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.336 9.643 -5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.002 8.597 -8.128 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.988 9.908 -7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.151 12.240 -10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.819 12.025 -8.443 1.00 0.00 H new ATOM 221 N GLN A 18 -6.366 8.209 -6.237 1.00 0.00 N ATOM 222 CA GLN A 18 -5.179 7.379 -6.398 1.00 0.00 C ATOM 223 C GLN A 18 -5.502 5.911 -6.138 1.00 0.00 C ATOM 224 O GLN A 18 -6.520 5.587 -5.525 1.00 0.00 O ATOM 225 CB GLN A 18 -4.072 7.845 -5.451 1.00 0.00 C ATOM 226 CG GLN A 18 -2.671 7.611 -5.992 1.00 0.00 C ATOM 227 CD GLN A 18 -1.593 8.144 -5.069 1.00 0.00 C ATOM 228 OE1 GLN A 18 -0.598 7.469 -4.802 1.00 0.00 O ATOM 229 NE2 GLN A 18 -1.785 9.361 -4.575 1.00 0.00 N ATOM 0 H GLN A 18 -6.918 7.999 -5.406 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.833 7.480 -7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.202 8.908 -5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.177 7.325 -4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.518 6.543 -6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.578 8.089 -6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.624 9.885 -4.823 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.093 9.772 -3.948 1.00 0.00 H new ATOM 238 N THR A 19 -4.629 5.025 -6.609 1.00 0.00 N ATOM 239 CA THR A 19 -4.822 3.592 -6.429 1.00 0.00 C ATOM 240 C THR A 19 -3.561 2.932 -5.884 1.00 0.00 C ATOM 241 O THR A 19 -2.449 3.257 -6.298 1.00 0.00 O ATOM 242 CB THR A 19 -5.216 2.908 -7.752 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.246 3.658 -8.404 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.696 1.486 -7.503 1.00 0.00 C ATOM 0 H THR A 19 -3.781 5.276 -7.118 1.00 0.00 H new ATOM 0 HA THR A 19 -5.632 3.470 -5.710 1.00 0.00 H new ATOM 0 HB THR A 19 -4.335 2.870 -8.393 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.489 3.217 -9.245 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.969 1.023 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.899 0.910 -7.034 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.565 1.505 -6.845 1.00 0.00 H new ATOM 252 N VAL A 20 -3.742 2.001 -4.952 1.00 0.00 N ATOM 253 CA VAL A 20 -2.618 1.293 -4.351 1.00 0.00 C ATOM 254 C VAL A 20 -3.004 -0.133 -3.975 1.00 0.00 C ATOM 255 O VAL A 20 -4.154 -0.405 -3.632 1.00 0.00 O ATOM 256 CB VAL A 20 -2.102 2.021 -3.095 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.254 1.087 -2.246 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.314 3.263 -3.486 1.00 0.00 C ATOM 0 H VAL A 20 -4.656 1.720 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.825 1.267 -5.098 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.960 2.335 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.899 1.619 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.854 0.231 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.401 0.740 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.957 3.765 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.463 2.975 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.957 3.940 -4.048 1.00 0.00 H new ATOM 268 N ALA A 21 -2.035 -1.040 -4.041 1.00 0.00 N ATOM 269 CA ALA A 21 -2.273 -2.438 -3.706 1.00 0.00 C ATOM 270 C ALA A 21 -2.369 -2.632 -2.196 1.00 0.00 C ATOM 271 O ALA A 21 -1.986 -1.754 -1.422 1.00 0.00 O ATOM 272 CB ALA A 21 -1.171 -3.314 -4.283 1.00 0.00 C ATOM 0 H ALA A 21 -1.077 -0.831 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.225 -2.734 -4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.362 -4.356 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.151 -3.207 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.210 -3.008 -3.870 1.00 0.00 H new ATOM 278 N VAL A 22 -2.883 -3.786 -1.783 1.00 0.00 N ATOM 279 CA VAL A 22 -3.029 -4.095 -0.366 1.00 0.00 C ATOM 280 C VAL A 22 -1.691 -3.994 0.359 1.00 0.00 C ATOM 281 O VAL A 22 -0.637 -4.253 -0.223 1.00 0.00 O ATOM 282 CB VAL A 22 -3.609 -5.506 -0.156 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.358 -5.980 1.268 1.00 0.00 C ATOM 284 CG2 VAL A 22 -5.096 -5.523 -0.478 1.00 0.00 C ATOM 0 H VAL A 22 -3.205 -4.523 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.720 -3.361 0.049 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.105 -6.193 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.775 -6.979 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.285 -6.007 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.834 -5.294 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.490 -6.528 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.618 -4.825 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.247 -5.229 -1.517 1.00 0.00 H new ATOM 294 N ASP A 23 -1.741 -3.618 1.632 1.00 0.00 N ATOM 295 CA ASP A 23 -0.533 -3.485 2.438 1.00 0.00 C ATOM 296 C ASP A 23 0.551 -2.732 1.673 1.00 0.00 C ATOM 297 O ASP A 23 1.742 -2.935 1.902 1.00 0.00 O ATOM 298 CB ASP A 23 -0.017 -4.863 2.853 1.00 0.00 C ATOM 299 CG ASP A 23 -0.848 -5.484 3.959 1.00 0.00 C ATOM 300 OD1 ASP A 23 -1.268 -4.743 4.873 1.00 0.00 O ATOM 301 OD2 ASP A 23 -1.080 -6.709 3.910 1.00 0.00 O ATOM 0 H ASP A 23 -2.605 -3.400 2.128 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.784 -2.915 3.332 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.019 -5.524 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.017 -4.775 3.185 1.00 0.00 H new ATOM 306 N GLY A 24 0.128 -1.862 0.760 1.00 0.00 N ATOM 307 CA GLY A 24 1.075 -1.092 -0.026 1.00 0.00 C ATOM 308 C GLY A 24 1.532 0.166 0.685 1.00 0.00 C ATOM 309 O GLY A 24 1.875 0.131 1.867 1.00 0.00 O ATOM 0 H GLY A 24 -0.853 -1.677 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.942 -1.712 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.617 -0.822 -0.978 1.00 0.00 H new ATOM 313 N THR A 25 1.539 1.282 -0.036 1.00 0.00 N ATOM 314 CA THR A 25 1.960 2.557 0.532 1.00 0.00 C ATOM 315 C THR A 25 1.461 3.726 -0.310 1.00 0.00 C ATOM 316 O THR A 25 1.829 3.866 -1.476 1.00 0.00 O ATOM 317 CB THR A 25 3.494 2.640 0.647 1.00 0.00 C ATOM 318 OG1 THR A 25 4.009 1.430 1.213 1.00 0.00 O ATOM 319 CG2 THR A 25 3.908 3.825 1.508 1.00 0.00 C ATOM 0 H THR A 25 1.258 1.329 -1.015 1.00 0.00 H new ATOM 0 HA THR A 25 1.524 2.619 1.529 1.00 0.00 H new ATOM 0 HB THR A 25 3.905 2.776 -0.353 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.346 1.046 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.995 3.864 1.575 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.539 4.747 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.487 3.714 2.507 1.00 0.00 H new ATOM 327 N PHE A 26 0.621 4.564 0.289 1.00 0.00 N ATOM 328 CA PHE A 26 0.071 5.721 -0.406 1.00 0.00 C ATOM 329 C PHE A 26 0.051 6.945 0.506 1.00 0.00 C ATOM 330 O PHE A 26 -0.132 6.827 1.718 1.00 0.00 O ATOM 331 CB PHE A 26 -1.344 5.419 -0.903 1.00 0.00 C ATOM 332 CG PHE A 26 -2.368 5.373 0.194 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.380 4.328 1.105 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.319 6.373 0.316 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.322 4.283 2.115 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.263 6.333 1.325 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.263 5.287 2.226 1.00 0.00 C ATOM 0 H PHE A 26 0.307 4.463 1.254 1.00 0.00 H new ATOM 0 HA PHE A 26 0.711 5.937 -1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.635 6.178 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.340 4.463 -1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.645 3.541 1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.323 7.194 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.322 3.463 2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.999 7.119 1.408 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.998 5.254 3.017 1.00 0.00 H new ATOM 347 N VAL A 27 0.242 8.120 -0.086 1.00 0.00 N ATOM 348 CA VAL A 27 0.246 9.365 0.672 1.00 0.00 C ATOM 349 C VAL A 27 -0.606 10.428 -0.013 1.00 0.00 C ATOM 350 O VAL A 27 -0.871 10.348 -1.213 1.00 0.00 O ATOM 351 CB VAL A 27 1.676 9.908 0.852 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.381 10.014 -0.491 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.649 11.256 1.557 1.00 0.00 C ATOM 0 H VAL A 27 0.396 8.235 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.176 9.140 1.652 1.00 0.00 H new ATOM 0 HB VAL A 27 2.235 9.209 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.390 10.399 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.433 9.028 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.826 10.690 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.668 11.625 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.073 11.966 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.187 11.144 2.538 1.00 0.00 H new ATOM 363 N LEU A 28 -1.033 11.422 0.757 1.00 0.00 N ATOM 364 CA LEU A 28 -1.856 12.503 0.225 1.00 0.00 C ATOM 365 C LEU A 28 -1.464 13.841 0.843 1.00 0.00 C ATOM 366 O LEU A 28 -1.380 13.971 2.064 1.00 0.00 O ATOM 367 CB LEU A 28 -3.336 12.221 0.488 1.00 0.00 C ATOM 368 CG LEU A 28 -3.867 10.884 -0.032 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.001 10.381 0.849 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.331 11.019 -1.475 1.00 0.00 C ATOM 0 H LEU A 28 -0.823 11.502 1.752 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.689 12.558 -0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.508 12.264 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.923 13.022 0.039 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.057 10.156 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.366 9.429 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.638 10.245 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.813 11.108 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.705 10.058 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.126 11.762 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.494 11.334 -2.098 1.00 0.00 H new ATOM 382 N SER A 29 -1.229 14.834 -0.009 1.00 0.00 N ATOM 383 CA SER A 29 -0.845 16.163 0.454 1.00 0.00 C ATOM 384 C SER A 29 -1.889 17.200 0.054 1.00 0.00 C ATOM 385 O SER A 29 -2.366 17.214 -1.081 1.00 0.00 O ATOM 386 CB SER A 29 0.521 16.550 -0.118 1.00 0.00 C ATOM 387 OG SER A 29 0.409 16.963 -1.469 1.00 0.00 O ATOM 0 H SER A 29 -1.298 14.744 -1.023 1.00 0.00 H new ATOM 0 HA SER A 29 -0.782 16.138 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.953 17.354 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.202 15.701 -0.049 1.00 0.00 H new ATOM 0 HG SER A 29 1.294 17.207 -1.811 1.00 0.00 H new ATOM 393 N CYS A 30 -2.241 18.070 0.996 1.00 0.00 N ATOM 394 CA CYS A 30 -3.229 19.112 0.745 1.00 0.00 C ATOM 395 C CYS A 30 -2.659 20.490 1.063 1.00 0.00 C ATOM 396 O CYS A 30 -2.231 20.753 2.188 1.00 0.00 O ATOM 397 CB CYS A 30 -4.487 18.863 1.579 1.00 0.00 C ATOM 398 SG CYS A 30 -5.826 20.062 1.283 1.00 0.00 S ATOM 0 H CYS A 30 -1.856 18.073 1.941 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.491 19.082 -0.313 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.858 17.860 1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.220 18.887 2.636 1.00 0.00 H new ATOM 403 N VAL A 31 -2.656 21.369 0.066 1.00 0.00 N ATOM 404 CA VAL A 31 -2.139 22.721 0.239 1.00 0.00 C ATOM 405 C VAL A 31 -3.249 23.756 0.090 1.00 0.00 C ATOM 406 O VAL A 31 -3.973 23.766 -0.905 1.00 0.00 O ATOM 407 CB VAL A 31 -1.024 23.031 -0.777 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.534 24.461 -0.613 1.00 0.00 C ATOM 409 CG2 VAL A 31 0.124 22.044 -0.624 1.00 0.00 C ATOM 0 H VAL A 31 -3.006 21.169 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.727 22.776 1.247 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.432 22.926 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.254 24.661 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.362 25.150 -0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.142 24.598 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.903 22.277 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.533 22.115 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.241 21.032 -0.797 1.00 0.00 H new ATOM 419 N ALA A 32 -3.376 24.627 1.086 1.00 0.00 N ATOM 420 CA ALA A 32 -4.395 25.669 1.064 1.00 0.00 C ATOM 421 C ALA A 32 -3.835 26.996 1.563 1.00 0.00 C ATOM 422 O ALA A 32 -3.107 27.042 2.556 1.00 0.00 O ATOM 423 CB ALA A 32 -5.594 25.251 1.904 1.00 0.00 C ATOM 0 H ALA A 32 -2.786 24.631 1.918 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.717 25.806 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.348 26.038 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.017 24.331 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.277 25.085 2.933 1.00 0.00 H new ATOM 429 N THR A 33 -4.176 28.076 0.867 1.00 0.00 N ATOM 430 CA THR A 33 -3.706 29.405 1.238 1.00 0.00 C ATOM 431 C THR A 33 -4.584 30.016 2.324 1.00 0.00 C ATOM 432 O THR A 33 -5.643 29.484 2.652 1.00 0.00 O ATOM 433 CB THR A 33 -3.678 30.351 0.023 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.001 30.816 -0.265 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.106 29.646 -1.199 1.00 0.00 C ATOM 0 H THR A 33 -4.776 28.056 0.043 1.00 0.00 H new ATOM 0 HA THR A 33 -2.692 29.286 1.619 1.00 0.00 H new ATOM 0 HB THR A 33 -3.039 31.200 0.266 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.967 31.467 -0.996 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.096 30.334 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.089 29.318 -0.987 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.723 28.781 -1.442 1.00 0.00 H new ATOM 443 N GLY A 34 -4.136 31.138 2.879 1.00 0.00 N ATOM 444 CA GLY A 34 -4.894 31.804 3.922 1.00 0.00 C ATOM 445 C GLY A 34 -4.050 32.119 5.141 1.00 0.00 C ATOM 446 O GLY A 34 -3.203 31.320 5.541 1.00 0.00 O ATOM 0 H GLY A 34 -3.262 31.598 2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.315 32.728 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.732 31.173 4.217 1.00 0.00 H new ATOM 450 N SER A 35 -4.279 33.287 5.732 1.00 0.00 N ATOM 451 CA SER A 35 -3.529 33.709 6.909 1.00 0.00 C ATOM 452 C SER A 35 -4.471 34.048 8.060 1.00 0.00 C ATOM 453 O SER A 35 -5.387 34.861 7.928 1.00 0.00 O ATOM 454 CB SER A 35 -2.655 34.919 6.577 1.00 0.00 C ATOM 455 OG SER A 35 -1.426 34.516 5.998 1.00 0.00 O ATOM 0 H SER A 35 -4.978 33.958 5.415 1.00 0.00 H new ATOM 0 HA SER A 35 -2.889 32.882 7.217 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.186 35.578 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.463 35.493 7.484 1.00 0.00 H new ATOM 0 HG SER A 35 -0.886 35.308 5.793 1.00 0.00 H new ATOM 461 N PRO A 36 -4.243 33.412 9.219 1.00 0.00 N ATOM 462 CA PRO A 36 -3.156 32.442 9.388 1.00 0.00 C ATOM 463 C PRO A 36 -3.405 31.152 8.615 1.00 0.00 C ATOM 464 O PRO A 36 -4.527 30.880 8.185 1.00 0.00 O ATOM 465 CB PRO A 36 -3.155 32.171 10.894 1.00 0.00 C ATOM 466 CG PRO A 36 -4.546 32.471 11.335 1.00 0.00 C ATOM 467 CD PRO A 36 -5.027 33.589 10.452 1.00 0.00 C ATOM 0 HA PRO A 36 -2.208 32.822 9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.886 31.137 11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.432 32.803 11.409 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.185 31.593 11.236 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.568 32.765 12.384 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.098 33.518 10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.848 34.564 10.905 1.00 0.00 H new ATOM 475 N VAL A 37 -2.353 30.359 8.441 1.00 0.00 N ATOM 476 CA VAL A 37 -2.458 29.096 7.720 1.00 0.00 C ATOM 477 C VAL A 37 -3.624 28.262 8.240 1.00 0.00 C ATOM 478 O VAL A 37 -3.805 28.086 9.445 1.00 0.00 O ATOM 479 CB VAL A 37 -1.161 28.273 7.837 1.00 0.00 C ATOM 480 CG1 VAL A 37 -1.070 27.610 9.203 1.00 0.00 C ATOM 481 CG2 VAL A 37 -1.085 27.237 6.726 1.00 0.00 C ATOM 0 H VAL A 37 -1.418 30.569 8.790 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.630 29.343 6.672 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.312 28.949 7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.147 27.033 9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.074 28.375 9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.923 26.946 9.343 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.162 26.665 6.824 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.939 26.563 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.099 27.739 5.759 1.00 0.00 H new ATOM 491 N PRO A 38 -4.435 27.735 7.310 1.00 0.00 N ATOM 492 CA PRO A 38 -5.598 26.910 7.650 1.00 0.00 C ATOM 493 C PRO A 38 -5.198 25.550 8.214 1.00 0.00 C ATOM 494 O PRO A 38 -4.078 25.084 8.005 1.00 0.00 O ATOM 495 CB PRO A 38 -6.318 26.743 6.310 1.00 0.00 C ATOM 496 CG PRO A 38 -5.252 26.911 5.283 1.00 0.00 C ATOM 497 CD PRO A 38 -4.279 27.904 5.856 1.00 0.00 C ATOM 0 HA PRO A 38 -6.212 27.369 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.790 25.764 6.234 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.105 27.487 6.188 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.761 25.961 5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.669 27.271 4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.258 27.697 5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.512 28.922 5.543 1.00 0.00 H new ATOM 505 N THR A 39 -6.123 24.917 8.929 1.00 0.00 N ATOM 506 CA THR A 39 -5.867 23.611 9.523 1.00 0.00 C ATOM 507 C THR A 39 -6.038 22.497 8.497 1.00 0.00 C ATOM 508 O THR A 39 -6.768 22.650 7.517 1.00 0.00 O ATOM 509 CB THR A 39 -6.804 23.343 10.716 1.00 0.00 C ATOM 510 OG1 THR A 39 -6.337 22.213 11.462 1.00 0.00 O ATOM 511 CG2 THR A 39 -8.227 23.090 10.241 1.00 0.00 C ATOM 0 H THR A 39 -7.056 25.288 9.111 1.00 0.00 H new ATOM 0 HA THR A 39 -4.836 23.621 9.876 1.00 0.00 H new ATOM 0 HB THR A 39 -6.803 24.226 11.355 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.937 22.050 12.220 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.870 22.903 11.101 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.590 23.963 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.242 22.222 9.582 1.00 0.00 H new ATOM 519 N ILE A 40 -5.362 21.376 8.728 1.00 0.00 N ATOM 520 CA ILE A 40 -5.442 20.236 7.824 1.00 0.00 C ATOM 521 C ILE A 40 -5.877 18.976 8.564 1.00 0.00 C ATOM 522 O ILE A 40 -5.107 18.397 9.332 1.00 0.00 O ATOM 523 CB ILE A 40 -4.092 19.971 7.131 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.559 21.257 6.496 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.240 18.877 6.084 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.431 21.785 5.378 1.00 0.00 C ATOM 0 H ILE A 40 -4.753 21.234 9.534 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.187 20.485 7.068 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.375 19.635 7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.467 22.022 7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.557 21.073 6.108 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.278 18.701 5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.580 17.959 6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.969 19.186 5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.992 22.698 4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.503 21.037 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.427 22.001 5.765 1.00 0.00 H new ATOM 538 N LEU A 41 -7.115 18.556 8.329 1.00 0.00 N ATOM 539 CA LEU A 41 -7.653 17.362 8.972 1.00 0.00 C ATOM 540 C LEU A 41 -7.766 16.211 7.977 1.00 0.00 C ATOM 541 O LEU A 41 -7.579 16.397 6.775 1.00 0.00 O ATOM 542 CB LEU A 41 -9.024 17.661 9.581 1.00 0.00 C ATOM 543 CG LEU A 41 -9.028 18.560 10.818 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.887 18.187 11.752 1.00 0.00 C ATOM 545 CD2 LEU A 41 -8.932 20.024 10.414 1.00 0.00 C ATOM 0 H LEU A 41 -7.765 19.024 7.698 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.966 17.066 9.765 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.645 18.127 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.497 16.715 9.843 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.968 18.411 11.349 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.905 18.837 12.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.000 17.150 12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.937 18.306 11.231 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.936 20.649 11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.008 20.189 9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.783 20.284 9.785 1.00 0.00 H new ATOM 557 N TRP A 42 -8.074 15.024 8.487 1.00 0.00 N ATOM 558 CA TRP A 42 -8.213 13.843 7.643 1.00 0.00 C ATOM 559 C TRP A 42 -9.436 13.027 8.046 1.00 0.00 C ATOM 560 O TRP A 42 -9.601 12.675 9.214 1.00 0.00 O ATOM 561 CB TRP A 42 -6.956 12.977 7.730 1.00 0.00 C ATOM 562 CG TRP A 42 -5.777 13.567 7.015 1.00 0.00 C ATOM 563 CD1 TRP A 42 -4.680 14.148 7.585 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.580 13.636 5.599 1.00 0.00 C ATOM 565 NE1 TRP A 42 -3.813 14.573 6.608 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.341 14.270 5.381 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.328 13.222 4.494 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -3.838 14.500 4.104 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -5.827 13.451 3.227 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.591 14.084 3.040 1.00 0.00 C ATOM 0 H TRP A 42 -8.232 14.854 9.480 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.345 14.177 6.614 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -6.698 12.827 8.779 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.171 11.994 7.311 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.518 14.257 8.647 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.920 15.039 6.770 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.281 12.732 4.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.887 14.990 3.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.398 13.137 2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.226 14.247 2.037 1.00 0.00 H new ATOM 581 N ARG A 43 -10.291 12.729 7.073 1.00 0.00 N ATOM 582 CA ARG A 43 -11.500 11.955 7.328 1.00 0.00 C ATOM 583 C ARG A 43 -11.740 10.939 6.215 1.00 0.00 C ATOM 584 O ARG A 43 -11.560 11.240 5.035 1.00 0.00 O ATOM 585 CB ARG A 43 -12.708 12.883 7.455 1.00 0.00 C ATOM 586 CG ARG A 43 -12.609 13.857 8.618 1.00 0.00 C ATOM 587 CD ARG A 43 -13.970 14.431 8.982 1.00 0.00 C ATOM 588 NE ARG A 43 -13.864 15.776 9.541 1.00 0.00 N ATOM 589 CZ ARG A 43 -14.840 16.368 10.221 1.00 0.00 C ATOM 590 NH1 ARG A 43 -15.988 15.736 10.424 1.00 0.00 N ATOM 591 NH2 ARG A 43 -14.669 17.594 10.699 1.00 0.00 N ATOM 0 H ARG A 43 -10.169 13.012 6.101 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.365 11.416 8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.821 13.447 6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.608 12.280 7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.184 13.349 9.484 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.929 14.668 8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.602 14.456 8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.459 13.776 9.703 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.993 16.289 9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.123 14.794 10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.736 16.192 10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.787 18.083 10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.419 18.047 11.221 1.00 0.00 H new ATOM 605 N LYS A 44 -12.146 9.733 6.599 1.00 0.00 N ATOM 606 CA LYS A 44 -12.412 8.672 5.635 1.00 0.00 C ATOM 607 C LYS A 44 -13.898 8.329 5.600 1.00 0.00 C ATOM 608 O LYS A 44 -14.390 7.571 6.437 1.00 0.00 O ATOM 609 CB LYS A 44 -11.597 7.424 5.982 1.00 0.00 C ATOM 610 CG LYS A 44 -11.618 6.363 4.895 1.00 0.00 C ATOM 611 CD LYS A 44 -11.447 4.969 5.474 1.00 0.00 C ATOM 612 CE LYS A 44 -10.005 4.707 5.882 1.00 0.00 C ATOM 613 NZ LYS A 44 -9.745 5.117 7.290 1.00 0.00 N ATOM 0 H LYS A 44 -12.298 9.466 7.572 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.116 9.029 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.564 7.716 6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.983 6.993 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.560 6.418 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.822 6.560 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.098 4.851 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.758 4.228 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.781 3.647 5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.334 5.250 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.884 4.647 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.617 6.148 7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.552 4.843 7.886 1.00 0.00 H new ATOM 627 N ASP A 45 -14.607 8.889 4.626 1.00 0.00 N ATOM 628 CA ASP A 45 -16.037 8.640 4.481 1.00 0.00 C ATOM 629 C ASP A 45 -16.798 9.103 5.719 1.00 0.00 C ATOM 630 O ASP A 45 -17.829 8.534 6.075 1.00 0.00 O ATOM 631 CB ASP A 45 -16.294 7.152 4.235 1.00 0.00 C ATOM 632 CG ASP A 45 -17.550 6.909 3.422 1.00 0.00 C ATOM 633 OD1 ASP A 45 -18.657 7.057 3.980 1.00 0.00 O ATOM 634 OD2 ASP A 45 -17.426 6.568 2.226 1.00 0.00 O ATOM 0 H ASP A 45 -14.215 9.518 3.925 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.395 9.210 3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.439 6.719 3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.379 6.638 5.192 1.00 0.00 H new ATOM 639 N GLY A 46 -16.281 10.139 6.372 1.00 0.00 N ATOM 640 CA GLY A 46 -16.924 10.660 7.564 1.00 0.00 C ATOM 641 C GLY A 46 -16.232 10.215 8.838 1.00 0.00 C ATOM 642 O GLY A 46 -16.397 10.832 9.891 1.00 0.00 O ATOM 0 H GLY A 46 -15.428 10.627 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.934 11.749 7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -17.963 10.332 7.585 1.00 0.00 H new ATOM 646 N VAL A 47 -15.457 9.140 8.744 1.00 0.00 N ATOM 647 CA VAL A 47 -14.738 8.612 9.897 1.00 0.00 C ATOM 648 C VAL A 47 -13.423 9.352 10.112 1.00 0.00 C ATOM 649 O VAL A 47 -12.487 9.218 9.323 1.00 0.00 O ATOM 650 CB VAL A 47 -14.448 7.108 9.737 1.00 0.00 C ATOM 651 CG1 VAL A 47 -13.614 6.598 10.903 1.00 0.00 C ATOM 652 CG2 VAL A 47 -15.746 6.324 9.617 1.00 0.00 C ATOM 0 H VAL A 47 -15.311 8.617 7.881 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.380 8.760 10.765 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.876 6.962 8.820 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.419 5.534 10.773 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.668 7.139 10.938 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.157 6.756 11.835 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.521 5.263 9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.346 6.475 10.514 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.302 6.671 8.746 1.00 0.00 H new ATOM 662 N LEU A 48 -13.359 10.134 11.184 1.00 0.00 N ATOM 663 CA LEU A 48 -12.158 10.897 11.504 1.00 0.00 C ATOM 664 C LEU A 48 -10.924 10.001 11.489 1.00 0.00 C ATOM 665 O LEU A 48 -10.846 9.021 12.231 1.00 0.00 O ATOM 666 CB LEU A 48 -12.302 11.563 12.873 1.00 0.00 C ATOM 667 CG LEU A 48 -13.079 12.880 12.900 1.00 0.00 C ATOM 668 CD1 LEU A 48 -12.291 13.980 12.206 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.444 12.708 12.249 1.00 0.00 C ATOM 0 H LEU A 48 -14.125 10.256 11.846 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.034 11.668 10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.793 10.861 13.547 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.305 11.744 13.273 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.228 13.169 13.940 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.860 14.909 12.235 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.338 14.122 12.716 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.109 13.698 11.169 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.983 13.655 12.277 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.316 12.394 11.213 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.012 11.951 12.790 1.00 0.00 H new ATOM 681 N VAL A 49 -9.959 10.344 10.642 1.00 0.00 N ATOM 682 CA VAL A 49 -8.726 9.573 10.533 1.00 0.00 C ATOM 683 C VAL A 49 -8.052 9.421 11.892 1.00 0.00 C ATOM 684 O VAL A 49 -8.069 10.339 12.711 1.00 0.00 O ATOM 685 CB VAL A 49 -7.738 10.231 9.552 1.00 0.00 C ATOM 686 CG1 VAL A 49 -6.326 9.718 9.793 1.00 0.00 C ATOM 687 CG2 VAL A 49 -8.167 9.979 8.114 1.00 0.00 C ATOM 0 H VAL A 49 -10.007 11.151 10.021 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.000 8.588 10.154 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.743 11.307 9.725 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.641 10.194 9.091 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.022 9.954 10.813 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.302 8.638 9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.457 10.451 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.192 8.906 7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.160 10.399 7.951 1.00 0.00 H new ATOM 697 N SER A 50 -7.457 8.255 12.123 1.00 0.00 N ATOM 698 CA SER A 50 -6.778 7.981 13.385 1.00 0.00 C ATOM 699 C SER A 50 -5.264 7.998 13.202 1.00 0.00 C ATOM 700 O SER A 50 -4.652 6.976 12.890 1.00 0.00 O ATOM 701 CB SER A 50 -7.221 6.626 13.942 1.00 0.00 C ATOM 702 OG SER A 50 -8.340 6.769 14.799 1.00 0.00 O ATOM 0 H SER A 50 -7.431 7.486 11.454 1.00 0.00 H new ATOM 0 HA SER A 50 -7.049 8.764 14.093 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.472 5.956 13.120 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.397 6.167 14.488 1.00 0.00 H new ATOM 0 HG SER A 50 -8.605 5.890 15.141 1.00 0.00 H new ATOM 708 N THR A 51 -4.664 9.168 13.398 1.00 0.00 N ATOM 709 CA THR A 51 -3.221 9.321 13.254 1.00 0.00 C ATOM 710 C THR A 51 -2.487 8.783 14.476 1.00 0.00 C ATOM 711 O THR A 51 -1.575 9.426 14.996 1.00 0.00 O ATOM 712 CB THR A 51 -2.831 10.796 13.042 1.00 0.00 C ATOM 713 OG1 THR A 51 -3.467 11.617 14.028 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.227 11.266 11.651 1.00 0.00 C ATOM 0 H THR A 51 -5.155 10.024 13.657 1.00 0.00 H new ATOM 0 HA THR A 51 -2.928 8.746 12.376 1.00 0.00 H new ATOM 0 HB THR A 51 -1.749 10.881 13.142 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.213 12.553 13.888 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.941 12.310 11.525 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.718 10.658 10.903 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.305 11.167 11.527 1.00 0.00 H new ATOM 722 N GLN A 52 -2.889 7.600 14.930 1.00 0.00 N ATOM 723 CA GLN A 52 -2.268 6.977 16.093 1.00 0.00 C ATOM 724 C GLN A 52 -1.647 5.634 15.723 1.00 0.00 C ATOM 725 O GLN A 52 -0.581 5.273 16.223 1.00 0.00 O ATOM 726 CB GLN A 52 -3.298 6.786 17.207 1.00 0.00 C ATOM 727 CG GLN A 52 -4.450 5.872 16.821 1.00 0.00 C ATOM 728 CD GLN A 52 -5.575 5.889 17.837 1.00 0.00 C ATOM 729 OE1 GLN A 52 -5.336 5.932 19.044 1.00 0.00 O ATOM 730 NE2 GLN A 52 -6.811 5.857 17.353 1.00 0.00 N ATOM 0 H GLN A 52 -3.642 7.054 14.510 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.477 7.637 16.449 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.799 6.377 18.085 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.697 7.759 17.492 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.839 6.175 15.849 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.079 4.853 16.712 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.963 5.822 16.345 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.608 5.868 17.989 1.00 0.00 H new ATOM 739 N ASP A 53 -2.319 4.898 14.845 1.00 0.00 N ATOM 740 CA ASP A 53 -1.833 3.595 14.407 1.00 0.00 C ATOM 741 C ASP A 53 -0.552 3.739 13.591 1.00 0.00 C ATOM 742 O ASP A 53 -0.524 4.440 12.579 1.00 0.00 O ATOM 743 CB ASP A 53 -2.901 2.879 13.580 1.00 0.00 C ATOM 744 CG ASP A 53 -2.783 1.370 13.662 1.00 0.00 C ATOM 745 OD1 ASP A 53 -1.956 0.798 12.921 1.00 0.00 O ATOM 746 OD2 ASP A 53 -3.516 0.761 14.469 1.00 0.00 O ATOM 0 H ASP A 53 -3.203 5.182 14.422 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.613 3.001 15.294 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.889 3.182 13.927 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.819 3.191 12.539 1.00 0.00 H new ATOM 751 N SER A 54 0.507 3.073 14.039 1.00 0.00 N ATOM 752 CA SER A 54 1.793 3.130 13.353 1.00 0.00 C ATOM 753 C SER A 54 1.599 3.226 11.843 1.00 0.00 C ATOM 754 O SER A 54 2.283 3.994 11.166 1.00 0.00 O ATOM 755 CB SER A 54 2.632 1.898 13.694 1.00 0.00 C ATOM 756 OG SER A 54 1.915 0.704 13.433 1.00 0.00 O ATOM 0 H SER A 54 0.500 2.487 14.874 1.00 0.00 H new ATOM 0 HA SER A 54 2.318 4.023 13.692 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.552 1.908 13.110 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.921 1.930 14.745 1.00 0.00 H new ATOM 0 HG SER A 54 2.474 -0.069 13.658 1.00 0.00 H new ATOM 762 N ARG A 55 0.662 2.441 11.322 1.00 0.00 N ATOM 763 CA ARG A 55 0.378 2.436 9.892 1.00 0.00 C ATOM 764 C ARG A 55 0.381 3.855 9.332 1.00 0.00 C ATOM 765 O ARG A 55 1.145 4.170 8.419 1.00 0.00 O ATOM 766 CB ARG A 55 -0.974 1.773 9.622 1.00 0.00 C ATOM 767 CG ARG A 55 -0.921 0.254 9.635 1.00 0.00 C ATOM 768 CD ARG A 55 -2.146 -0.352 8.967 1.00 0.00 C ATOM 769 NE ARG A 55 -3.312 -0.337 9.846 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.565 -0.357 9.405 1.00 0.00 C ATOM 771 NH1 ARG A 55 -4.812 -0.394 8.103 1.00 0.00 N ATOM 772 NH2 ARG A 55 -5.573 -0.341 10.268 1.00 0.00 N ATOM 0 H ARG A 55 0.087 1.800 11.869 1.00 0.00 H new ATOM 0 HA ARG A 55 1.162 1.865 9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.690 2.110 10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -1.346 2.107 8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.021 -0.084 9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.854 -0.100 10.664 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.372 0.201 8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.928 -1.378 8.672 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.156 -0.310 10.854 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.039 -0.407 7.437 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.775 -0.409 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.386 -0.313 11.270 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.535 -0.356 9.929 1.00 0.00 H new ATOM 786 N ILE A 56 -0.477 4.706 9.884 1.00 0.00 N ATOM 787 CA ILE A 56 -0.572 6.091 9.439 1.00 0.00 C ATOM 788 C ILE A 56 0.418 6.977 10.187 1.00 0.00 C ATOM 789 O ILE A 56 0.481 6.956 11.417 1.00 0.00 O ATOM 790 CB ILE A 56 -1.994 6.649 9.635 1.00 0.00 C ATOM 791 CG1 ILE A 56 -2.997 5.853 8.799 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.039 8.124 9.266 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.585 4.665 9.528 1.00 0.00 C ATOM 0 H ILE A 56 -1.116 4.461 10.640 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.331 6.099 8.376 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.267 6.549 10.686 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.806 6.515 8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.505 5.504 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.050 8.504 9.410 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.349 8.679 9.901 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.750 8.247 8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.287 4.148 8.874 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.786 3.982 9.814 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.106 5.008 10.422 1.00 0.00 H new ATOM 805 N LYS A 57 1.189 7.757 9.437 1.00 0.00 N ATOM 806 CA LYS A 57 2.175 8.655 10.028 1.00 0.00 C ATOM 807 C LYS A 57 2.186 10.000 9.309 1.00 0.00 C ATOM 808 O LYS A 57 2.370 10.062 8.094 1.00 0.00 O ATOM 809 CB LYS A 57 3.568 8.024 9.972 1.00 0.00 C ATOM 810 CG LYS A 57 4.642 8.861 10.645 1.00 0.00 C ATOM 811 CD LYS A 57 5.766 7.994 11.188 1.00 0.00 C ATOM 812 CE LYS A 57 6.740 7.593 10.091 1.00 0.00 C ATOM 813 NZ LYS A 57 7.652 6.500 10.531 1.00 0.00 N ATOM 0 H LYS A 57 1.150 7.786 8.418 1.00 0.00 H new ATOM 0 HA LYS A 57 1.900 8.822 11.069 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.533 7.043 10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.844 7.864 8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.047 9.578 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.200 9.436 11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.299 8.535 11.970 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.347 7.100 11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.183 7.269 9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.330 8.460 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.300 6.255 9.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.202 6.817 11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.091 5.663 10.790 1.00 0.00 H new ATOM 827 N GLN A 58 1.989 11.073 10.068 1.00 0.00 N ATOM 828 CA GLN A 58 1.977 12.417 9.502 1.00 0.00 C ATOM 829 C GLN A 58 3.381 13.013 9.484 1.00 0.00 C ATOM 830 O GLN A 58 3.865 13.518 10.497 1.00 0.00 O ATOM 831 CB GLN A 58 1.037 13.321 10.300 1.00 0.00 C ATOM 832 CG GLN A 58 -0.424 13.182 9.904 1.00 0.00 C ATOM 833 CD GLN A 58 -1.326 14.146 10.649 1.00 0.00 C ATOM 834 OE1 GLN A 58 -1.382 14.137 11.879 1.00 0.00 O ATOM 835 NE2 GLN A 58 -2.039 14.985 9.907 1.00 0.00 N ATOM 0 H GLN A 58 1.836 11.038 11.076 1.00 0.00 H new ATOM 0 HA GLN A 58 1.618 12.348 8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.140 13.092 11.361 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.344 14.358 10.166 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.523 13.352 8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.753 12.161 10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.962 14.958 8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.664 15.656 10.354 1.00 0.00 H new ATOM 844 N LEU A 59 4.030 12.949 8.326 1.00 0.00 N ATOM 845 CA LEU A 59 5.380 13.482 8.176 1.00 0.00 C ATOM 846 C LEU A 59 5.390 14.997 8.358 1.00 0.00 C ATOM 847 O LEU A 59 6.191 15.533 9.123 1.00 0.00 O ATOM 848 CB LEU A 59 5.943 13.118 6.801 1.00 0.00 C ATOM 849 CG LEU A 59 5.969 11.628 6.460 1.00 0.00 C ATOM 850 CD1 LEU A 59 6.319 10.805 7.689 1.00 0.00 C ATOM 851 CD2 LEU A 59 4.630 11.189 5.886 1.00 0.00 C ATOM 0 H LEU A 59 3.644 12.534 7.478 1.00 0.00 H new ATOM 0 HA LEU A 59 6.008 13.038 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.355 13.634 6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.960 13.504 6.733 1.00 0.00 H new ATOM 0 HG LEU A 59 6.738 11.461 5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.333 9.747 7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.302 11.100 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.574 10.977 8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.667 10.126 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.843 11.371 6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.420 11.756 4.979 1.00 0.00 H new ATOM 863 N GLU A 60 4.495 15.679 7.652 1.00 0.00 N ATOM 864 CA GLU A 60 4.401 17.132 7.737 1.00 0.00 C ATOM 865 C GLU A 60 2.950 17.591 7.627 1.00 0.00 C ATOM 866 O GLU A 60 2.087 16.849 7.159 1.00 0.00 O ATOM 867 CB GLU A 60 5.239 17.784 6.635 1.00 0.00 C ATOM 868 CG GLU A 60 4.587 17.733 5.264 1.00 0.00 C ATOM 869 CD GLU A 60 5.159 18.761 4.307 1.00 0.00 C ATOM 870 OE1 GLU A 60 6.302 19.210 4.534 1.00 0.00 O ATOM 871 OE2 GLU A 60 4.465 19.115 3.331 1.00 0.00 O ATOM 0 H GLU A 60 3.824 15.249 7.015 1.00 0.00 H new ATOM 0 HA GLU A 60 4.788 17.440 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.427 18.824 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.208 17.288 6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.717 16.737 4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.515 17.897 5.369 1.00 0.00 H new ATOM 878 N ASN A 61 2.690 18.819 8.064 1.00 0.00 N ATOM 879 CA ASN A 61 1.343 19.377 8.016 1.00 0.00 C ATOM 880 C ASN A 61 0.824 19.423 6.582 1.00 0.00 C ATOM 881 O ASN A 61 1.524 19.862 5.671 1.00 0.00 O ATOM 882 CB ASN A 61 1.330 20.783 8.620 1.00 0.00 C ATOM 883 CG ASN A 61 2.653 21.502 8.441 1.00 0.00 C ATOM 884 OD1 ASN A 61 3.189 22.083 9.385 1.00 0.00 O ATOM 885 ND2 ASN A 61 3.187 21.465 7.226 1.00 0.00 N ATOM 0 H ASN A 61 3.393 19.446 8.455 1.00 0.00 H new ATOM 0 HA ASN A 61 0.688 18.731 8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.536 21.368 8.155 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.097 20.717 9.683 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.077 21.930 7.046 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.708 20.971 6.473 1.00 0.00 H new ATOM 892 N GLY A 62 -0.410 18.966 6.391 1.00 0.00 N ATOM 893 CA GLY A 62 -1.003 18.964 5.066 1.00 0.00 C ATOM 894 C GLY A 62 -0.878 17.619 4.377 1.00 0.00 C ATOM 895 O GLY A 62 -1.715 17.256 3.551 1.00 0.00 O ATOM 0 H GLY A 62 -1.009 18.597 7.130 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.056 19.233 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.522 19.728 4.455 1.00 0.00 H new ATOM 899 N VAL A 63 0.173 16.879 4.715 1.00 0.00 N ATOM 900 CA VAL A 63 0.406 15.567 4.122 1.00 0.00 C ATOM 901 C VAL A 63 0.254 14.461 5.160 1.00 0.00 C ATOM 902 O VAL A 63 0.738 14.580 6.286 1.00 0.00 O ATOM 903 CB VAL A 63 1.809 15.477 3.493 1.00 0.00 C ATOM 904 CG1 VAL A 63 2.130 16.746 2.719 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.857 15.216 4.564 1.00 0.00 C ATOM 0 H VAL A 63 0.876 17.165 5.396 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.343 15.434 3.341 1.00 0.00 H new ATOM 0 HB VAL A 63 1.822 14.641 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.125 16.664 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.395 16.884 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.100 17.601 3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.842 15.155 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.846 16.029 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.635 14.276 5.069 1.00 0.00 H new ATOM 915 N LEU A 64 -0.420 13.383 4.773 1.00 0.00 N ATOM 916 CA LEU A 64 -0.636 12.253 5.670 1.00 0.00 C ATOM 917 C LEU A 64 -0.332 10.934 4.966 1.00 0.00 C ATOM 918 O LEU A 64 -1.048 10.530 4.050 1.00 0.00 O ATOM 919 CB LEU A 64 -2.077 12.251 6.182 1.00 0.00 C ATOM 920 CG LEU A 64 -2.555 10.955 6.837 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.279 10.979 8.333 1.00 0.00 C ATOM 922 CD2 LEU A 64 -4.037 10.736 6.569 1.00 0.00 C ATOM 0 H LEU A 64 -0.826 13.268 3.844 1.00 0.00 H new ATOM 0 HA LEU A 64 0.043 12.357 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.186 13.061 6.903 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.739 12.478 5.346 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.001 10.124 6.400 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.626 10.048 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.208 11.087 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.805 11.819 8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.359 9.809 7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.608 11.570 6.978 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.207 10.672 5.494 1.00 0.00 H new ATOM 934 N GLN A 65 0.732 10.268 5.403 1.00 0.00 N ATOM 935 CA GLN A 65 1.128 8.994 4.815 1.00 0.00 C ATOM 936 C GLN A 65 0.469 7.828 5.546 1.00 0.00 C ATOM 937 O GLN A 65 0.358 7.836 6.772 1.00 0.00 O ATOM 938 CB GLN A 65 2.650 8.841 4.855 1.00 0.00 C ATOM 939 CG GLN A 65 3.155 7.597 4.143 1.00 0.00 C ATOM 940 CD GLN A 65 4.556 7.207 4.572 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.753 6.638 5.646 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.539 7.512 3.733 1.00 0.00 N ATOM 0 H GLN A 65 1.334 10.589 6.161 1.00 0.00 H new ATOM 0 HA GLN A 65 0.795 8.983 3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.107 9.720 4.401 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.977 8.813 5.894 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.475 6.769 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.143 7.769 3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.330 7.984 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.503 7.274 3.968 1.00 0.00 H new ATOM 951 N ILE A 66 0.034 6.829 4.786 1.00 0.00 N ATOM 952 CA ILE A 66 -0.613 5.657 5.362 1.00 0.00 C ATOM 953 C ILE A 66 0.020 4.370 4.845 1.00 0.00 C ATOM 954 O ILE A 66 -0.190 3.981 3.695 1.00 0.00 O ATOM 955 CB ILE A 66 -2.121 5.637 5.049 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.798 6.887 5.614 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.762 4.379 5.617 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.820 8.051 4.647 1.00 0.00 C ATOM 0 H ILE A 66 0.118 6.808 3.770 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.475 5.718 6.441 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.253 5.633 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.821 6.640 5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.281 7.191 6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.828 4.379 5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.295 3.500 5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.623 4.356 6.698 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.315 8.903 5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.798 8.325 4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.363 7.765 3.746 1.00 0.00 H new ATOM 970 N ARG A 67 0.794 3.712 5.701 1.00 0.00 N ATOM 971 CA ARG A 67 1.457 2.467 5.331 1.00 0.00 C ATOM 972 C ARG A 67 0.574 1.265 5.652 1.00 0.00 C ATOM 973 O ARG A 67 -0.289 1.331 6.528 1.00 0.00 O ATOM 974 CB ARG A 67 2.795 2.341 6.062 1.00 0.00 C ATOM 975 CG ARG A 67 3.964 2.943 5.300 1.00 0.00 C ATOM 976 CD ARG A 67 5.157 3.187 6.212 1.00 0.00 C ATOM 977 NE ARG A 67 6.000 2.001 6.340 1.00 0.00 N ATOM 978 CZ ARG A 67 7.183 2.002 6.942 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.661 3.121 7.470 1.00 0.00 N ATOM 980 NH2 ARG A 67 7.892 0.883 7.019 1.00 0.00 N ATOM 0 H ARG A 67 0.978 4.020 6.656 1.00 0.00 H new ATOM 0 HA ARG A 67 1.638 2.486 4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.716 2.829 7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.999 1.287 6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.255 2.274 4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.656 3.883 4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.750 4.013 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.804 3.489 7.198 1.00 0.00 H new ATOM 0 HE ARG A 67 5.661 1.124 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.119 3.983 7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.570 3.119 7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.528 0.020 6.615 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.801 0.886 7.482 1.00 0.00 H new ATOM 994 N TYR A 68 0.796 0.167 4.937 1.00 0.00 N ATOM 995 CA TYR A 68 0.019 -1.049 5.143 1.00 0.00 C ATOM 996 C TYR A 68 -1.449 -0.824 4.793 1.00 0.00 C ATOM 997 O TYR A 68 -2.343 -1.166 5.567 1.00 0.00 O ATOM 998 CB TYR A 68 0.142 -1.519 6.594 1.00 0.00 C ATOM 999 CG TYR A 68 1.572 -1.636 7.072 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.234 -0.543 7.619 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.261 -2.839 6.978 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.540 -0.646 8.057 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.566 -2.951 7.414 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.202 -1.852 7.953 1.00 0.00 C ATOM 1005 OH TYR A 68 5.503 -1.959 8.388 1.00 0.00 O ATOM 0 H TYR A 68 1.508 0.095 4.210 1.00 0.00 H new ATOM 0 HA TYR A 68 0.417 -1.820 4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.392 -0.822 7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.347 -2.488 6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.719 0.402 7.703 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.767 -3.702 6.556 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.040 0.213 8.479 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.086 -3.894 7.334 1.00 0.00 H new ATOM 0 HH TYR A 68 5.822 -2.875 8.244 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.689 -0.247 3.620 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.047 0.022 3.164 1.00 0.00 C ATOM 1017 C ALA A 69 -3.849 -1.269 3.037 1.00 0.00 C ATOM 1018 O ALA A 69 -3.729 -1.992 2.048 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.021 0.763 1.836 1.00 0.00 C ATOM 0 H ALA A 69 -0.960 0.043 2.968 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.536 0.651 3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.042 0.957 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.493 1.709 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.509 0.155 1.090 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.666 -1.554 4.045 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.489 -2.757 4.047 1.00 0.00 C ATOM 1027 C LYS A 70 -6.711 -2.582 3.150 1.00 0.00 C ATOM 1028 O LYS A 70 -7.042 -1.467 2.745 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.934 -3.094 5.472 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.779 -3.319 6.432 1.00 0.00 C ATOM 1031 CD LYS A 70 -5.269 -3.520 7.856 1.00 0.00 C ATOM 1032 CE LYS A 70 -4.127 -3.429 8.857 1.00 0.00 C ATOM 1033 NZ LYS A 70 -4.620 -3.420 10.262 1.00 0.00 N ATOM 0 H LYS A 70 -4.776 -0.967 4.872 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.888 -3.578 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.557 -2.284 5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.555 -3.989 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.207 -4.192 6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.103 -2.465 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.022 -2.768 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.752 -4.493 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.451 -4.272 8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.550 -2.523 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.914 -2.964 10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.515 -2.892 10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.776 -4.397 10.581 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.378 -3.690 2.844 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.564 -3.659 1.996 1.00 0.00 C ATOM 1049 C LEU A 71 -9.620 -2.720 2.571 1.00 0.00 C ATOM 1050 O LEU A 71 -10.173 -1.882 1.861 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.144 -5.066 1.845 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.420 -5.989 0.864 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.980 -7.400 0.946 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.531 -5.451 -0.555 1.00 0.00 C ATOM 0 H LEU A 71 -7.117 -4.620 3.171 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.269 -3.287 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.148 -5.543 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.183 -4.977 1.529 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.365 -6.022 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.453 -8.042 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.848 -7.786 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.042 -7.385 0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.010 -6.120 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.581 -5.387 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.081 -4.459 -0.604 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.894 -2.867 3.864 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.881 -2.024 4.514 1.00 0.00 C ATOM 1068 C GLY A 72 -10.549 -0.550 4.401 1.00 0.00 C ATOM 1069 O GLY A 72 -11.442 0.286 4.260 1.00 0.00 O ATOM 0 H GLY A 72 -9.450 -3.555 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.860 -2.208 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.951 -2.298 5.567 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.261 -0.228 4.465 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.813 1.156 4.370 1.00 0.00 C ATOM 1075 C ASP A 73 -9.507 1.874 3.217 1.00 0.00 C ATOM 1076 O ASP A 73 -9.615 3.101 3.209 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.296 1.212 4.182 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.752 2.624 4.279 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.465 3.073 5.408 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -6.615 3.280 3.225 1.00 0.00 O ATOM 0 H ASP A 73 -8.509 -0.907 4.582 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.075 1.661 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.816 0.588 4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.038 0.792 3.210 1.00 0.00 H new ATOM 1085 N THR A 74 -9.977 1.102 2.242 1.00 0.00 N ATOM 1086 CA THR A 74 -10.658 1.663 1.083 1.00 0.00 C ATOM 1087 C THR A 74 -11.722 2.670 1.505 1.00 0.00 C ATOM 1088 O THR A 74 -12.798 2.294 1.969 1.00 0.00 O ATOM 1089 CB THR A 74 -11.319 0.562 0.232 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.328 -0.366 -0.223 1.00 0.00 O ATOM 1091 CG2 THR A 74 -12.044 1.164 -0.963 1.00 0.00 C ATOM 0 H THR A 74 -9.898 0.085 2.233 1.00 0.00 H new ATOM 0 HA THR A 74 -9.900 2.168 0.485 1.00 0.00 H new ATOM 0 HB THR A 74 -12.047 0.040 0.853 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.322 -1.152 0.363 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.503 0.368 -1.549 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.817 1.848 -0.613 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.332 1.708 -1.584 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.414 3.953 1.341 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.355 4.995 1.709 1.00 0.00 C ATOM 1101 C GLY A 75 -12.081 6.303 0.994 1.00 0.00 C ATOM 1102 O GLY A 75 -11.019 6.482 0.398 1.00 0.00 O ATOM 0 H GLY A 75 -10.530 4.289 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.368 4.664 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.310 5.157 2.786 1.00 0.00 H new ATOM 1106 N ARG A 76 -13.042 7.220 1.051 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.901 8.517 0.402 1.00 0.00 C ATOM 1108 C ARG A 76 -12.269 9.533 1.348 1.00 0.00 C ATOM 1109 O ARG A 76 -12.902 9.984 2.304 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.263 9.025 -0.074 1.00 0.00 C ATOM 1111 CG ARG A 76 -15.265 9.225 1.052 1.00 0.00 C ATOM 1112 CD ARG A 76 -16.693 9.243 0.530 1.00 0.00 C ATOM 1113 NE ARG A 76 -16.933 10.371 -0.367 1.00 0.00 N ATOM 1114 CZ ARG A 76 -17.255 11.589 0.054 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -17.374 11.836 1.351 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -17.458 12.563 -0.824 1.00 0.00 N ATOM 0 H ARG A 76 -13.927 7.088 1.541 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.246 8.393 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.126 9.970 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.674 8.317 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.154 8.426 1.785 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.053 10.162 1.567 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.898 8.311 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.386 9.294 1.370 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.849 10.215 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.218 11.090 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -17.621 12.772 1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.367 12.377 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.705 13.498 -0.500 1.00 0.00 H new ATOM 1130 N TYR A 77 -11.019 9.889 1.077 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.300 10.850 1.906 1.00 0.00 C ATOM 1132 C TYR A 77 -10.610 12.280 1.475 1.00 0.00 C ATOM 1133 O TYR A 77 -10.734 12.571 0.285 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.794 10.597 1.827 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.365 9.293 2.462 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.561 8.083 1.809 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.765 9.272 3.715 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.172 6.889 2.385 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.371 8.083 4.298 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.577 6.894 3.629 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.187 5.708 4.207 1.00 0.00 O ATOM 0 H TYR A 77 -10.482 9.527 0.289 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.630 10.721 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.488 10.600 0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.270 11.419 2.315 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.026 8.075 0.834 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.604 10.201 4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.333 5.957 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.904 8.084 5.272 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.056 5.032 3.510 1.00 0.00 H new ATOM 1151 N THR A 78 -10.733 13.172 2.453 1.00 0.00 N ATOM 1152 CA THR A 78 -11.029 14.573 2.177 1.00 0.00 C ATOM 1153 C THR A 78 -10.219 15.494 3.082 1.00 0.00 C ATOM 1154 O THR A 78 -10.080 15.240 4.279 1.00 0.00 O ATOM 1155 CB THR A 78 -12.528 14.877 2.363 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.292 14.209 1.353 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.788 16.375 2.294 1.00 0.00 C ATOM 0 H THR A 78 -10.632 12.949 3.443 1.00 0.00 H new ATOM 0 HA THR A 78 -10.755 14.756 1.138 1.00 0.00 H new ATOM 0 HB THR A 78 -12.831 14.516 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.244 14.406 1.479 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.853 16.566 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.227 16.878 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.470 16.755 1.323 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.687 16.565 2.504 1.00 0.00 N ATOM 1166 CA CYS A 79 -8.891 17.526 3.258 1.00 0.00 C ATOM 1167 C CYS A 79 -9.744 18.712 3.700 1.00 0.00 C ATOM 1168 O CYS A 79 -10.269 19.455 2.871 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.713 18.017 2.414 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.051 19.634 2.932 1.00 0.00 S ATOM 0 H CYS A 79 -9.793 16.790 1.515 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.509 17.025 4.147 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.914 17.277 2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.028 18.082 1.373 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.876 18.882 5.011 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.663 19.977 5.563 1.00 0.00 C ATOM 1177 C ILE A 80 -9.776 21.162 5.929 1.00 0.00 C ATOM 1178 O ILE A 80 -8.743 21.000 6.578 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.447 19.533 6.812 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -12.297 18.300 6.496 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.322 20.670 7.320 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.578 16.992 6.742 1.00 0.00 C ATOM 0 H ILE A 80 -9.448 18.275 5.710 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.368 20.279 4.789 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.736 19.270 7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.202 18.327 7.103 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.611 18.342 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.870 20.341 8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.695 21.524 7.579 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.028 20.961 6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.240 16.161 6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.687 16.943 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.288 16.928 7.791 1.00 0.00 H new ATOM 1194 N ALA A 81 -10.187 22.354 5.508 1.00 0.00 N ATOM 1195 CA ALA A 81 -9.432 23.567 5.795 1.00 0.00 C ATOM 1196 C ALA A 81 -10.288 24.583 6.544 1.00 0.00 C ATOM 1197 O ALA A 81 -11.256 25.113 6.001 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.898 24.173 4.505 1.00 0.00 C ATOM 0 H ALA A 81 -11.039 22.505 4.967 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.591 23.299 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.336 25.079 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.244 23.456 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.731 24.420 3.847 1.00 0.00 H new ATOM 1204 N SER A 82 -9.924 24.849 7.794 1.00 0.00 N ATOM 1205 CA SER A 82 -10.662 25.798 8.620 1.00 0.00 C ATOM 1206 C SER A 82 -9.859 27.079 8.823 1.00 0.00 C ATOM 1207 O SER A 82 -8.643 27.042 9.012 1.00 0.00 O ATOM 1208 CB SER A 82 -10.999 25.173 9.975 1.00 0.00 C ATOM 1209 OG SER A 82 -12.096 25.832 10.582 1.00 0.00 O ATOM 0 H SER A 82 -9.122 24.421 8.257 1.00 0.00 H new ATOM 0 HA SER A 82 -11.589 26.048 8.104 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.233 24.117 9.844 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.130 25.228 10.630 1.00 0.00 H new ATOM 0 HG SER A 82 -12.292 25.413 11.446 1.00 0.00 H new ATOM 1215 N THR A 83 -10.550 28.215 8.784 1.00 0.00 N ATOM 1216 CA THR A 83 -9.903 29.509 8.962 1.00 0.00 C ATOM 1217 C THR A 83 -10.821 30.486 9.688 1.00 0.00 C ATOM 1218 O THR A 83 -12.037 30.305 9.749 1.00 0.00 O ATOM 1219 CB THR A 83 -9.487 30.120 7.611 1.00 0.00 C ATOM 1220 OG1 THR A 83 -10.365 29.664 6.576 1.00 0.00 O ATOM 1221 CG2 THR A 83 -8.053 29.747 7.267 1.00 0.00 C ATOM 0 H THR A 83 -11.557 28.264 8.631 1.00 0.00 H new ATOM 0 HA THR A 83 -9.011 29.337 9.564 1.00 0.00 H new ATOM 0 HB THR A 83 -9.554 31.205 7.692 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.239 29.446 6.961 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.782 30.190 6.309 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.384 30.121 8.042 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.964 28.662 7.204 1.00 0.00 H new ATOM 1229 N PRO A 84 -10.227 31.549 10.251 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.973 32.577 10.982 1.00 0.00 C ATOM 1231 C PRO A 84 -11.842 33.427 10.062 1.00 0.00 C ATOM 1232 O PRO A 84 -12.496 34.371 10.506 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.873 33.431 11.617 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.688 33.237 10.735 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.782 31.829 10.218 1.00 0.00 C ATOM 0 HA PRO A 84 -11.664 32.142 11.704 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.164 34.480 11.664 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.663 33.112 12.638 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.691 33.955 9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.761 33.388 11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.379 31.744 9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.223 31.133 10.844 1.00 0.00 H new ATOM 1243 N SER A 85 -11.846 33.086 8.777 1.00 0.00 N ATOM 1244 CA SER A 85 -12.633 33.820 7.793 1.00 0.00 C ATOM 1245 C SER A 85 -13.611 32.893 7.078 1.00 0.00 C ATOM 1246 O SER A 85 -14.667 33.324 6.617 1.00 0.00 O ATOM 1247 CB SER A 85 -11.712 34.494 6.774 1.00 0.00 C ATOM 1248 OG SER A 85 -10.909 35.486 7.389 1.00 0.00 O ATOM 0 H SER A 85 -11.313 32.306 8.393 1.00 0.00 H new ATOM 0 HA SER A 85 -13.204 34.585 8.318 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.074 33.745 6.305 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.310 34.945 5.982 1.00 0.00 H new ATOM 0 HG SER A 85 -10.329 35.900 6.717 1.00 0.00 H new ATOM 1254 N GLY A 86 -13.250 31.617 6.990 1.00 0.00 N ATOM 1255 CA GLY A 86 -14.105 30.648 6.330 1.00 0.00 C ATOM 1256 C GLY A 86 -13.551 29.239 6.405 1.00 0.00 C ATOM 1257 O GLY A 86 -12.706 28.942 7.249 1.00 0.00 O ATOM 0 H GLY A 86 -12.381 31.237 7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.094 30.671 6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.230 30.931 5.285 1.00 0.00 H new ATOM 1261 N GLU A 87 -14.029 28.369 5.521 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.577 26.982 5.494 1.00 0.00 C ATOM 1263 C GLU A 87 -13.830 26.355 4.126 1.00 0.00 C ATOM 1264 O GLU A 87 -14.755 26.744 3.414 1.00 0.00 O ATOM 1265 CB GLU A 87 -14.287 26.170 6.579 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.763 24.750 6.717 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.825 23.781 7.201 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.780 24.231 7.867 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.699 22.573 6.913 1.00 0.00 O ATOM 0 H GLU A 87 -14.728 28.599 4.815 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.504 26.972 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.178 26.683 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.353 26.135 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.380 24.413 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.925 24.742 7.413 1.00 0.00 H new ATOM 1276 N ALA A 88 -13.001 25.380 3.767 1.00 0.00 N ATOM 1277 CA ALA A 88 -13.135 24.697 2.486 1.00 0.00 C ATOM 1278 C ALA A 88 -12.672 23.248 2.586 1.00 0.00 C ATOM 1279 O ALA A 88 -11.923 22.885 3.494 1.00 0.00 O ATOM 1280 CB ALA A 88 -12.348 25.432 1.411 1.00 0.00 C ATOM 0 H ALA A 88 -12.230 25.046 4.345 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.190 24.696 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.457 24.911 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.728 26.449 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.294 25.463 1.689 1.00 0.00 H new ATOM 1286 N THR A 89 -13.123 22.421 1.647 1.00 0.00 N ATOM 1287 CA THR A 89 -12.756 21.011 1.631 1.00 0.00 C ATOM 1288 C THR A 89 -12.425 20.545 0.217 1.00 0.00 C ATOM 1289 O THR A 89 -12.777 21.204 -0.761 1.00 0.00 O ATOM 1290 CB THR A 89 -13.885 20.130 2.198 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.991 20.105 1.289 1.00 0.00 O ATOM 1292 CG2 THR A 89 -14.347 20.648 3.552 1.00 0.00 C ATOM 0 H THR A 89 -13.743 22.704 0.888 1.00 0.00 H new ATOM 0 HA THR A 89 -11.873 20.907 2.261 1.00 0.00 H new ATOM 0 HB THR A 89 -13.498 19.119 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.704 19.541 1.656 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.145 20.010 3.933 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.510 20.638 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.718 21.667 3.444 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.749 19.407 0.118 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.371 18.853 -1.177 1.00 0.00 C ATOM 1302 C TRP A 90 -11.902 17.433 -1.337 1.00 0.00 C ATOM 1303 O TRP A 90 -12.228 16.767 -0.354 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.850 18.863 -1.336 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.397 18.587 -2.737 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -9.071 17.372 -3.269 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.218 19.546 -3.785 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.700 17.518 -4.584 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.782 18.842 -4.924 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.385 20.931 -3.871 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.511 19.478 -6.133 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.115 21.560 -5.072 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.683 20.834 -6.190 1.00 0.00 C ATOM 0 H TRP A 90 -11.451 18.850 0.919 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.814 19.476 -1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.466 19.833 -1.022 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.417 18.118 -0.669 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.100 16.434 -2.734 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -8.411 16.763 -5.206 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.719 21.499 -3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.177 18.920 -6.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.239 22.630 -5.150 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.482 21.355 -7.114 1.00 0.00 H new ATOM 1324 N SER A 91 -11.986 16.974 -2.582 1.00 0.00 N ATOM 1325 CA SER A 91 -12.481 15.633 -2.871 1.00 0.00 C ATOM 1326 C SER A 91 -11.337 14.704 -3.265 1.00 0.00 C ATOM 1327 O SER A 91 -10.500 15.052 -4.098 1.00 0.00 O ATOM 1328 CB SER A 91 -13.523 15.680 -3.990 1.00 0.00 C ATOM 1329 OG SER A 91 -12.905 15.823 -5.257 1.00 0.00 O ATOM 0 H SER A 91 -11.718 17.511 -3.407 1.00 0.00 H new ATOM 0 HA SER A 91 -12.947 15.243 -1.966 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.120 14.768 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.207 16.511 -3.820 1.00 0.00 H new ATOM 0 HG SER A 91 -13.592 15.849 -5.955 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.308 13.521 -2.661 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.268 12.541 -2.950 1.00 0.00 C ATOM 1337 C ALA A 92 -10.708 11.138 -2.545 1.00 0.00 C ATOM 1338 O ALA A 92 -11.465 10.966 -1.589 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.976 12.917 -2.239 1.00 0.00 C ATOM 0 H ALA A 92 -11.993 13.218 -1.968 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.091 12.542 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.208 12.177 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.645 13.898 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.148 12.946 -1.163 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.231 10.139 -3.278 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.578 8.751 -2.997 1.00 0.00 C ATOM 1347 C TYR A 93 -9.392 7.829 -3.261 1.00 0.00 C ATOM 1348 O TYR A 93 -8.613 8.051 -4.189 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.773 8.320 -3.850 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.077 6.841 -3.761 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -12.187 6.207 -2.530 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -12.254 6.078 -4.909 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.465 4.856 -2.444 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -12.533 4.728 -4.833 1.00 0.00 C ATOM 1355 CZ TYR A 93 -12.637 4.121 -3.598 1.00 0.00 C ATOM 1356 OH TYR A 93 -12.914 2.776 -3.519 1.00 0.00 O ATOM 0 H TYR A 93 -9.603 10.264 -4.072 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.846 8.676 -1.943 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.653 8.883 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.579 8.581 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.053 6.780 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.172 6.549 -5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.547 4.379 -1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.669 4.150 -5.735 1.00 0.00 H new ATOM 0 HH TYR A 93 -13.085 2.424 -4.417 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.262 6.793 -2.439 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.173 5.835 -2.584 1.00 0.00 C ATOM 1368 C ILE A 94 -8.695 4.403 -2.574 1.00 0.00 C ATOM 1369 O ILE A 94 -9.350 3.977 -1.623 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.129 5.997 -1.463 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.556 7.415 -1.470 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.017 4.970 -1.622 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.688 7.710 -2.673 1.00 0.00 C ATOM 0 H ILE A 94 -9.897 6.596 -1.666 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.699 6.039 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.619 5.828 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.378 8.130 -1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.970 7.566 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.287 5.097 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.439 3.966 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.528 5.110 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.316 8.733 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.846 7.018 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.276 7.592 -3.583 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.399 3.663 -3.638 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.839 2.277 -3.751 1.00 0.00 C ATOM 1387 C GLU A 95 -7.704 1.317 -3.405 1.00 0.00 C ATOM 1388 O GLU A 95 -6.559 1.520 -3.808 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.348 1.994 -5.166 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.871 0.580 -5.353 1.00 0.00 C ATOM 1391 CD GLU A 95 -11.352 0.461 -5.049 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -12.168 0.830 -5.919 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -11.694 -0.001 -3.940 1.00 0.00 O ATOM 0 H GLU A 95 -7.857 4.000 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.653 2.121 -3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.142 2.701 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.540 2.170 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.688 0.262 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.315 -0.098 -4.705 1.00 0.00 H new ATOM 1400 N VAL A 96 -8.032 0.270 -2.655 1.00 0.00 N ATOM 1401 CA VAL A 96 -7.042 -0.723 -2.254 1.00 0.00 C ATOM 1402 C VAL A 96 -7.292 -2.059 -2.945 1.00 0.00 C ATOM 1403 O VAL A 96 -8.231 -2.778 -2.604 1.00 0.00 O ATOM 1404 CB VAL A 96 -7.047 -0.937 -0.729 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -6.027 -1.995 -0.335 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.775 0.373 -0.007 1.00 0.00 C ATOM 0 H VAL A 96 -8.975 0.087 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.068 -0.338 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.034 -1.291 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.045 -2.133 0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.272 -2.937 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.032 -1.674 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.782 0.203 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.801 0.758 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.547 1.098 -0.265 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.446 -2.384 -3.917 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.577 -3.635 -4.656 1.00 0.00 C ATOM 1418 C GLN A 97 -5.697 -4.721 -4.047 1.00 0.00 C ATOM 1419 O GLN A 97 -4.640 -4.435 -3.486 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.205 -3.425 -6.125 1.00 0.00 C ATOM 1421 CG GLN A 97 -4.782 -2.930 -6.327 1.00 0.00 C ATOM 1422 CD GLN A 97 -4.539 -2.407 -7.729 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -5.433 -2.429 -8.576 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -3.325 -1.933 -7.983 1.00 0.00 N ATOM 0 H GLN A 97 -5.663 -1.800 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.616 -3.958 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.334 -4.365 -6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.897 -2.708 -6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -4.571 -2.139 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -4.086 -3.743 -6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.614 -1.934 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.103 -1.568 -8.909 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.141 -5.969 -4.161 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.394 -7.098 -3.620 1.00 0.00 C ATOM 1435 C GLU A 98 -4.336 -7.575 -4.611 1.00 0.00 C ATOM 1436 O GLU A 98 -4.454 -7.356 -5.816 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.343 -8.249 -3.277 1.00 0.00 C ATOM 1438 CG GLU A 98 -6.859 -8.207 -1.849 1.00 0.00 C ATOM 1439 CD GLU A 98 -8.162 -8.964 -1.677 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -9.163 -8.575 -2.314 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -8.179 -9.946 -0.905 1.00 0.00 O ATOM 0 H GLU A 98 -7.014 -6.223 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.893 -6.767 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.191 -8.226 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.827 -9.195 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.107 -8.629 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.004 -7.169 -1.549 1.00 0.00 H new ATOM 1448 N PHE A 99 -3.300 -8.227 -4.093 1.00 0.00 N ATOM 1449 CA PHE A 99 -2.219 -8.734 -4.930 1.00 0.00 C ATOM 1450 C PHE A 99 -1.297 -9.651 -4.132 1.00 0.00 C ATOM 1451 O PHE A 99 -1.218 -9.557 -2.908 1.00 0.00 O ATOM 1452 CB PHE A 99 -1.416 -7.573 -5.520 1.00 0.00 C ATOM 1453 CG PHE A 99 0.003 -7.935 -5.854 1.00 0.00 C ATOM 1454 CD1 PHE A 99 0.311 -8.551 -7.056 1.00 0.00 C ATOM 1455 CD2 PHE A 99 1.030 -7.658 -4.965 1.00 0.00 C ATOM 1456 CE1 PHE A 99 1.616 -8.885 -7.366 1.00 0.00 C ATOM 1457 CE2 PHE A 99 2.336 -7.989 -5.270 1.00 0.00 C ATOM 1458 CZ PHE A 99 2.629 -8.605 -6.472 1.00 0.00 C ATOM 0 H PHE A 99 -3.186 -8.417 -3.097 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.662 -9.311 -5.742 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.914 -7.218 -6.422 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.414 -6.745 -4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.478 -8.773 -7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.807 -7.178 -4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.842 -9.365 -8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.128 -7.767 -4.570 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.649 -8.867 -6.711 1.00 0.00 H new ATOM 1468 N GLY A 100 -0.602 -10.539 -4.836 1.00 0.00 N ATOM 1469 CA GLY A 100 0.305 -11.462 -4.178 1.00 0.00 C ATOM 1470 C GLY A 100 -0.196 -11.892 -2.813 1.00 0.00 C ATOM 1471 O GLY A 100 0.568 -11.932 -1.848 1.00 0.00 O ATOM 0 H GLY A 100 -0.651 -10.636 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.441 -12.343 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.283 -10.992 -4.072 1.00 0.00 H new ATOM 1475 N VAL A 101 -1.483 -12.213 -2.731 1.00 0.00 N ATOM 1476 CA VAL A 101 -2.085 -12.642 -1.474 1.00 0.00 C ATOM 1477 C VAL A 101 -1.332 -13.827 -0.880 1.00 0.00 C ATOM 1478 O VAL A 101 -1.028 -14.806 -1.561 1.00 0.00 O ATOM 1479 CB VAL A 101 -3.563 -13.030 -1.664 1.00 0.00 C ATOM 1480 CG1 VAL A 101 -3.713 -14.021 -2.808 1.00 0.00 C ATOM 1481 CG2 VAL A 101 -4.133 -13.602 -0.374 1.00 0.00 C ATOM 0 H VAL A 101 -2.129 -12.184 -3.520 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.024 -11.797 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 101 -4.127 -12.132 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.764 -14.283 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.345 -13.571 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.137 -14.920 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.178 -13.871 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.568 -14.489 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -4.062 -12.856 0.418 1.00 0.00 H new ATOM 1491 N PRO A 102 -1.022 -13.738 0.422 1.00 0.00 N ATOM 1492 CA PRO A 102 -0.301 -14.795 1.138 1.00 0.00 C ATOM 1493 C PRO A 102 -1.147 -16.050 1.324 1.00 0.00 C ATOM 1494 O PRO A 102 -2.282 -15.982 1.794 1.00 0.00 O ATOM 1495 CB PRO A 102 0.012 -14.156 2.493 1.00 0.00 C ATOM 1496 CG PRO A 102 -1.040 -13.116 2.673 1.00 0.00 C ATOM 1497 CD PRO A 102 -1.353 -12.600 1.296 1.00 0.00 C ATOM 0 HA PRO A 102 0.583 -15.126 0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.019 -14.893 3.295 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.009 -13.716 2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.929 -13.537 3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.688 -12.313 3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.400 -12.313 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.758 -11.720 1.052 1.00 0.00 H new ATOM 1505 N VAL A 103 -0.586 -17.197 0.952 1.00 0.00 N ATOM 1506 CA VAL A 103 -1.288 -18.468 1.079 1.00 0.00 C ATOM 1507 C VAL A 103 -0.739 -19.285 2.243 1.00 0.00 C ATOM 1508 O VAL A 103 0.396 -19.759 2.200 1.00 0.00 O ATOM 1509 CB VAL A 103 -1.182 -19.300 -0.213 1.00 0.00 C ATOM 1510 CG1 VAL A 103 -1.911 -20.625 -0.057 1.00 0.00 C ATOM 1511 CG2 VAL A 103 -1.729 -18.517 -1.397 1.00 0.00 C ATOM 0 H VAL A 103 0.353 -17.271 0.560 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.336 -18.233 1.266 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.130 -19.512 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.825 -21.199 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.468 -21.189 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.963 -20.438 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.646 -19.120 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.776 -18.272 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.157 -17.597 -1.520 1.00 0.00 H new ATOM 1521 N GLN A 104 -1.553 -19.445 3.282 1.00 0.00 N ATOM 1522 CA GLN A 104 -1.148 -20.205 4.459 1.00 0.00 C ATOM 1523 C GLN A 104 -1.805 -21.581 4.471 1.00 0.00 C ATOM 1524 O GLN A 104 -2.983 -21.736 4.149 1.00 0.00 O ATOM 1525 CB GLN A 104 -1.510 -19.443 5.734 1.00 0.00 C ATOM 1526 CG GLN A 104 -3.006 -19.257 5.928 1.00 0.00 C ATOM 1527 CD GLN A 104 -3.639 -20.394 6.707 1.00 0.00 C ATOM 1528 OE1 GLN A 104 -4.451 -21.151 6.174 1.00 0.00 O ATOM 1529 NE2 GLN A 104 -3.269 -20.519 7.976 1.00 0.00 N ATOM 0 H GLN A 104 -2.496 -19.059 3.333 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.067 -20.339 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.104 -19.976 6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.031 -18.464 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.187 -18.318 6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.488 -19.177 4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.593 -19.869 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.661 -21.265 8.550 1.00 0.00 H new ATOM 1538 N PRO A 105 -1.027 -22.606 4.851 1.00 0.00 N ATOM 1539 CA PRO A 105 -1.513 -23.988 4.914 1.00 0.00 C ATOM 1540 C PRO A 105 -2.513 -24.199 6.046 1.00 0.00 C ATOM 1541 O PRO A 105 -2.704 -23.340 6.906 1.00 0.00 O ATOM 1542 CB PRO A 105 -0.241 -24.800 5.166 1.00 0.00 C ATOM 1543 CG PRO A 105 0.692 -23.847 5.830 1.00 0.00 C ATOM 1544 CD PRO A 105 0.386 -22.495 5.248 1.00 0.00 C ATOM 0 HA PRO A 105 -2.045 -24.275 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.442 -25.664 5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.178 -25.179 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.548 -23.849 6.910 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.730 -24.125 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.537 -21.700 5.978 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.027 -22.270 4.395 1.00 0.00 H new ATOM 1552 N PRO A 106 -3.167 -25.370 6.048 1.00 0.00 N ATOM 1553 CA PRO A 106 -4.158 -25.722 7.069 1.00 0.00 C ATOM 1554 C PRO A 106 -3.523 -25.963 8.434 1.00 0.00 C ATOM 1555 O PRO A 106 -2.303 -26.081 8.549 1.00 0.00 O ATOM 1556 CB PRO A 106 -4.778 -27.014 6.532 1.00 0.00 C ATOM 1557 CG PRO A 106 -3.725 -27.604 5.658 1.00 0.00 C ATOM 1558 CD PRO A 106 -2.990 -26.441 5.053 1.00 0.00 C ATOM 0 HA PRO A 106 -4.880 -24.921 7.229 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -5.045 -27.692 7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -5.691 -26.812 5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -3.049 -28.236 6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -4.167 -28.232 4.884 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.937 -26.671 4.893 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.406 -26.163 4.085 1.00 0.00 H new ATOM 1566 N ARG A 107 -4.357 -26.035 9.466 1.00 0.00 N ATOM 1567 CA ARG A 107 -3.876 -26.261 10.823 1.00 0.00 C ATOM 1568 C ARG A 107 -2.815 -27.358 10.848 1.00 0.00 C ATOM 1569 O ARG A 107 -2.892 -28.347 10.119 1.00 0.00 O ATOM 1570 CB ARG A 107 -5.039 -26.640 11.743 1.00 0.00 C ATOM 1571 CG ARG A 107 -5.297 -28.137 11.812 1.00 0.00 C ATOM 1572 CD ARG A 107 -6.629 -28.441 12.481 1.00 0.00 C ATOM 1573 NE ARG A 107 -7.206 -29.695 12.005 1.00 0.00 N ATOM 1574 CZ ARG A 107 -8.304 -30.241 12.517 1.00 0.00 C ATOM 1575 NH1 ARG A 107 -8.939 -29.645 13.517 1.00 0.00 N ATOM 1576 NH2 ARG A 107 -8.768 -31.384 12.030 1.00 0.00 N ATOM 0 H ARG A 107 -5.370 -25.940 9.388 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.425 -25.335 11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.833 -26.268 12.747 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.943 -26.139 11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.290 -28.556 10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.492 -28.621 12.364 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.489 -28.493 13.561 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.326 -27.625 12.289 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.741 -30.179 11.237 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.585 -28.766 13.894 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.782 -30.065 13.909 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.282 -31.846 11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.611 -31.802 12.424 1.00 0.00 H new ATOM 1590 N PRO A 108 -1.800 -27.180 11.707 1.00 0.00 N ATOM 1591 CA PRO A 108 -0.705 -28.144 11.848 1.00 0.00 C ATOM 1592 C PRO A 108 -1.158 -29.446 12.501 1.00 0.00 C ATOM 1593 O PRO A 108 -1.272 -29.533 13.724 1.00 0.00 O ATOM 1594 CB PRO A 108 0.296 -27.415 12.748 1.00 0.00 C ATOM 1595 CG PRO A 108 -0.528 -26.445 13.523 1.00 0.00 C ATOM 1596 CD PRO A 108 -1.644 -26.025 12.607 1.00 0.00 C ATOM 0 HA PRO A 108 -0.295 -28.439 10.882 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.814 -28.110 13.408 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.059 -26.905 12.160 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -0.920 -26.904 14.431 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.068 -25.586 13.832 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -2.561 -25.819 13.159 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -1.393 -25.118 12.057 1.00 0.00 H new ATOM 1604 N THR A 109 -1.415 -30.457 11.677 1.00 0.00 N ATOM 1605 CA THR A 109 -1.857 -31.754 12.174 1.00 0.00 C ATOM 1606 C THR A 109 -0.730 -32.779 12.111 1.00 0.00 C ATOM 1607 O THR A 109 -0.587 -33.499 11.122 1.00 0.00 O ATOM 1608 CB THR A 109 -3.061 -32.282 11.373 1.00 0.00 C ATOM 1609 OG1 THR A 109 -2.742 -32.323 9.977 1.00 0.00 O ATOM 1610 CG2 THR A 109 -4.284 -31.405 11.593 1.00 0.00 C ATOM 0 H THR A 109 -1.325 -30.402 10.662 1.00 0.00 H new ATOM 0 HA THR A 109 -2.156 -31.610 13.212 1.00 0.00 H new ATOM 0 HB THR A 109 -3.288 -33.289 11.723 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.861 -32.734 9.855 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.122 -31.798 11.017 1.00 0.00 H new ATOM 0 HG22 THR A 109 -4.542 -31.400 12.652 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.066 -30.388 11.268 1.00 0.00 H new ATOM 1618 N ASP A 110 0.067 -32.841 13.172 1.00 0.00 N ATOM 1619 CA ASP A 110 1.180 -33.780 13.239 1.00 0.00 C ATOM 1620 C ASP A 110 1.131 -34.592 14.529 1.00 0.00 C ATOM 1621 O ASP A 110 1.821 -34.295 15.505 1.00 0.00 O ATOM 1622 CB ASP A 110 2.511 -33.034 13.141 1.00 0.00 C ATOM 1623 CG ASP A 110 2.523 -31.762 13.966 1.00 0.00 C ATOM 1624 OD1 ASP A 110 1.836 -31.724 15.008 1.00 0.00 O ATOM 1625 OD2 ASP A 110 3.219 -30.803 13.569 1.00 0.00 O ATOM 0 H ASP A 110 -0.037 -32.252 13.998 1.00 0.00 H new ATOM 0 HA ASP A 110 1.094 -34.466 12.397 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.316 -33.688 13.475 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.711 -32.789 12.098 1.00 0.00 H new ATOM 1630 N PRO A 111 0.295 -35.641 14.538 1.00 0.00 N ATOM 1631 CA PRO A 111 0.135 -36.516 15.703 1.00 0.00 C ATOM 1632 C PRO A 111 1.370 -37.373 15.958 1.00 0.00 C ATOM 1633 O PRO A 111 1.513 -37.971 17.024 1.00 0.00 O ATOM 1634 CB PRO A 111 -1.058 -37.397 15.324 1.00 0.00 C ATOM 1635 CG PRO A 111 -1.065 -37.404 13.834 1.00 0.00 C ATOM 1636 CD PRO A 111 -0.558 -36.053 13.411 1.00 0.00 C ATOM 0 HA PRO A 111 -0.012 -35.948 16.622 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -0.949 -38.405 15.724 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -1.990 -36.995 15.722 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -0.429 -38.199 13.445 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -2.069 -37.582 13.449 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.006 -36.109 12.480 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.375 -35.350 13.247 1.00 0.00 H new ATOM 1644 N ASN A 112 2.260 -37.428 14.973 1.00 0.00 N ATOM 1645 CA ASN A 112 3.484 -38.213 15.091 1.00 0.00 C ATOM 1646 C ASN A 112 4.712 -37.308 15.103 1.00 0.00 C ATOM 1647 O ASN A 112 5.725 -37.608 14.470 1.00 0.00 O ATOM 1648 CB ASN A 112 3.586 -39.214 13.938 1.00 0.00 C ATOM 1649 CG ASN A 112 2.616 -40.370 14.089 1.00 0.00 C ATOM 1650 OD1 ASN A 112 2.025 -40.564 15.151 1.00 0.00 O ATOM 1651 ND2 ASN A 112 2.450 -41.145 13.024 1.00 0.00 N ATOM 0 H ASN A 112 2.157 -36.939 14.084 1.00 0.00 H new ATOM 0 HA ASN A 112 3.447 -38.758 16.034 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.391 -38.701 12.996 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.603 -39.601 13.886 1.00 0.00 H new ATOM 0 HD21 ASN A 112 1.811 -41.939 13.066 1.00 0.00 H new ATOM 0 HD22 ASN A 112 2.961 -40.946 12.164 1.00 0.00 H new ATOM 1658 N LEU A 113 4.615 -36.198 15.828 1.00 0.00 N ATOM 1659 CA LEU A 113 5.718 -35.248 15.924 1.00 0.00 C ATOM 1660 C LEU A 113 6.489 -35.439 17.226 1.00 0.00 C ATOM 1661 O LEU A 113 5.938 -35.909 18.222 1.00 0.00 O ATOM 1662 CB LEU A 113 5.191 -33.815 15.835 1.00 0.00 C ATOM 1663 CG LEU A 113 6.077 -32.735 16.457 1.00 0.00 C ATOM 1664 CD1 LEU A 113 7.368 -32.584 15.668 1.00 0.00 C ATOM 1665 CD2 LEU A 113 5.334 -31.409 16.524 1.00 0.00 C ATOM 0 H LEU A 113 3.784 -35.934 16.358 1.00 0.00 H new ATOM 0 HA LEU A 113 6.397 -35.431 15.091 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.037 -33.570 14.784 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.214 -33.778 16.317 1.00 0.00 H new ATOM 0 HG LEU A 113 6.329 -33.040 17.473 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.986 -31.811 16.125 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.909 -33.530 15.671 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.136 -32.302 14.641 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.980 -30.652 16.969 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.052 -31.099 15.518 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.437 -31.525 17.133 1.00 0.00 H new ATOM 1677 N ILE A 114 7.765 -35.070 17.211 1.00 0.00 N ATOM 1678 CA ILE A 114 8.610 -35.198 18.392 1.00 0.00 C ATOM 1679 C ILE A 114 8.234 -34.168 19.452 1.00 0.00 C ATOM 1680 O ILE A 114 7.842 -33.041 19.147 1.00 0.00 O ATOM 1681 CB ILE A 114 10.100 -35.032 18.038 1.00 0.00 C ATOM 1682 CG1 ILE A 114 10.355 -33.643 17.448 1.00 0.00 C ATOM 1683 CG2 ILE A 114 10.537 -36.115 17.064 1.00 0.00 C ATOM 1684 CD1 ILE A 114 11.817 -33.253 17.431 1.00 0.00 C ATOM 0 H ILE A 114 8.236 -34.680 16.395 1.00 0.00 H new ATOM 0 HA ILE A 114 8.448 -36.200 18.789 1.00 0.00 H new ATOM 0 HB ILE A 114 10.688 -35.132 18.950 1.00 0.00 H new ATOM 0 HG12 ILE A 114 9.967 -33.613 16.430 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.797 -32.905 18.024 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.592 -35.984 16.824 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.387 -37.095 17.518 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.945 -36.044 16.151 1.00 0.00 H new ATOM 0 HD11 ILE A 114 11.923 -32.257 17.000 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.205 -33.250 18.450 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.378 -33.970 16.831 1.00 0.00 H new ATOM 1696 N PRO A 115 8.355 -34.561 20.728 1.00 0.00 N ATOM 1697 CA PRO A 115 8.034 -33.687 21.860 1.00 0.00 C ATOM 1698 C PRO A 115 9.035 -32.547 22.014 1.00 0.00 C ATOM 1699 O PRO A 115 10.243 -32.748 21.891 1.00 0.00 O ATOM 1700 CB PRO A 115 8.105 -34.627 23.066 1.00 0.00 C ATOM 1701 CG PRO A 115 9.029 -35.716 22.643 1.00 0.00 C ATOM 1702 CD PRO A 115 8.815 -35.890 21.165 1.00 0.00 C ATOM 0 HA PRO A 115 7.066 -33.201 21.738 1.00 0.00 H new ATOM 0 HB2 PRO A 115 8.480 -34.110 23.949 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.121 -35.020 23.321 1.00 0.00 H new ATOM 0 HG2 PRO A 115 10.065 -35.455 22.859 1.00 0.00 H new ATOM 0 HG3 PRO A 115 8.815 -36.640 23.180 1.00 0.00 H new ATOM 0 HD2 PRO A 115 9.734 -36.184 20.658 1.00 0.00 H new ATOM 0 HD3 PRO A 115 8.074 -36.661 20.954 1.00 0.00 H new ATOM 1710 N SER A 116 8.525 -31.349 22.283 1.00 0.00 N ATOM 1711 CA SER A 116 9.375 -30.176 22.450 1.00 0.00 C ATOM 1712 C SER A 116 10.182 -30.270 23.741 1.00 0.00 C ATOM 1713 O SER A 116 9.703 -29.902 24.813 1.00 0.00 O ATOM 1714 CB SER A 116 8.527 -28.903 22.456 1.00 0.00 C ATOM 1715 OG SER A 116 7.697 -28.837 21.309 1.00 0.00 O ATOM 0 H SER A 116 7.527 -31.165 22.390 1.00 0.00 H new ATOM 0 HA SER A 116 10.069 -30.137 21.610 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.912 -28.876 23.356 1.00 0.00 H new ATOM 0 HB3 SER A 116 9.178 -28.029 22.489 1.00 0.00 H new ATOM 0 HG SER A 116 7.164 -28.015 21.338 1.00 0.00 H new ATOM 1721 N ALA A 117 11.410 -30.765 23.629 1.00 0.00 N ATOM 1722 CA ALA A 117 12.286 -30.905 24.786 1.00 0.00 C ATOM 1723 C ALA A 117 13.741 -30.655 24.407 1.00 0.00 C ATOM 1724 O ALA A 117 14.132 -30.760 23.244 1.00 0.00 O ATOM 1725 CB ALA A 117 12.129 -32.288 25.402 1.00 0.00 C ATOM 0 H ALA A 117 11.821 -31.076 22.749 1.00 0.00 H new ATOM 0 HA ALA A 117 11.996 -30.156 25.523 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.789 -32.379 26.265 1.00 0.00 H new ATOM 0 HB2 ALA A 117 11.096 -32.430 25.719 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.390 -33.047 24.664 1.00 0.00 H new ATOM 1731 N PRO A 118 14.565 -30.316 25.410 1.00 0.00 N ATOM 1732 CA PRO A 118 15.991 -30.043 25.205 1.00 0.00 C ATOM 1733 C PRO A 118 16.777 -31.302 24.855 1.00 0.00 C ATOM 1734 O PRO A 118 17.030 -31.581 23.683 1.00 0.00 O ATOM 1735 CB PRO A 118 16.444 -29.489 26.558 1.00 0.00 C ATOM 1736 CG PRO A 118 15.482 -30.061 27.542 1.00 0.00 C ATOM 1737 CD PRO A 118 14.168 -30.173 26.820 1.00 0.00 C ATOM 0 HA PRO A 118 16.160 -29.361 24.372 1.00 0.00 H new ATOM 0 HB2 PRO A 118 17.467 -29.787 26.785 1.00 0.00 H new ATOM 0 HB3 PRO A 118 16.420 -28.399 26.568 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.818 -31.036 27.894 1.00 0.00 H new ATOM 0 HG3 PRO A 118 15.392 -29.419 28.418 1.00 0.00 H new ATOM 0 HD2 PRO A 118 13.592 -31.032 27.164 1.00 0.00 H new ATOM 0 HD3 PRO A 118 13.548 -29.290 26.975 1.00 0.00 H new TER 1745 PRO A 118