USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 897 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 65 ASN : amide:sc= -1.37 K(o=-5.6,f=-6.3!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -4.28! C(o=-5.6!,f=-9.7!) USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0.0941 USER MOD Set 2.2: A 84 GLN :FLIP amide:sc= -0.757 F(o=-2.1,f=-0.66) USER MOD Set 3.1: A 83 TYR OH : rot -154:sc= 0.182! USER MOD Set 3.2: A 101 TYR OH : rot 138:sc= -0.019 USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0309 (180deg=0) USER MOD Single : A 2 SER OG : rot 8:sc= 0.327 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0555 X(o=-0.055,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0898 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= -1.59 (180deg=-2.44!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 80:sc= -0.485 USER MOD Single : A 48 SER OG : rot 45:sc= -5.3! USER MOD Single : A 52 THR OG1 : rot -180:sc= 0.693 USER MOD Single : A 53 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.64) USER MOD Single : A 58 HIS : no HE2:sc= 0.0466 K(o=0.047,f=-0.49) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 31:sc= 0.0779 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -141:sc= 0.704 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.255 X(o=-0.25,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -172:sc= 0.954 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -146:sc= 0.0461 (180deg=-1.06!) USER MOD Single : A 100 THR OG1 : rot 30:sc= 0.0539 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.368 F(o=-2.4!,f=-0.37) USER MOD Single : A 109 SER OG : rot -170:sc= -1.33 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 CYS SG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 32:sc= 0.395 USER MOD Single : A 127 SER OG : rot -59:sc= 0.188 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.530 21.606 21.992 1.00 0.00 N ATOM 2 CA GLY A 1 19.171 22.097 21.857 1.00 0.00 C ATOM 3 C GLY A 1 18.138 21.000 22.027 1.00 0.00 C ATOM 4 O GLY A 1 18.394 19.841 21.701 1.00 0.00 O ATOM 0 H1 GLY A 1 21.151 22.116 21.331 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.860 21.761 22.966 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.555 20.589 21.776 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.994 22.876 22.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.050 22.557 20.876 1.00 0.00 H new ATOM 8 N SER A 2 16.968 21.365 22.541 1.00 0.00 N ATOM 9 CA SER A 2 15.895 20.402 22.760 1.00 0.00 C ATOM 10 C SER A 2 14.531 21.082 22.680 1.00 0.00 C ATOM 11 O SER A 2 14.370 22.226 23.103 1.00 0.00 O ATOM 12 CB SER A 2 16.060 19.723 24.120 1.00 0.00 C ATOM 13 OG SER A 2 17.164 18.834 24.116 1.00 0.00 O ATOM 0 H SER A 2 16.739 22.321 22.814 1.00 0.00 H new ATOM 0 HA SER A 2 15.952 19.647 21.976 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.201 20.479 24.893 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.150 19.177 24.370 1.00 0.00 H new ATOM 0 HG SER A 2 17.668 18.942 23.283 1.00 0.00 H new ATOM 19 N SER A 3 13.552 20.367 22.134 1.00 0.00 N ATOM 20 CA SER A 3 12.203 20.901 21.994 1.00 0.00 C ATOM 21 C SER A 3 11.172 19.776 21.987 1.00 0.00 C ATOM 22 O SER A 3 11.409 18.706 21.429 1.00 0.00 O ATOM 23 CB SER A 3 12.087 21.723 20.709 1.00 0.00 C ATOM 24 OG SER A 3 10.896 22.491 20.700 1.00 0.00 O ATOM 0 H SER A 3 13.668 19.417 21.782 1.00 0.00 H new ATOM 0 HA SER A 3 12.004 21.548 22.849 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.950 22.383 20.617 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.101 21.058 19.846 1.00 0.00 H new ATOM 0 HG SER A 3 10.847 23.008 19.869 1.00 0.00 H new ATOM 30 N GLY A 4 10.025 20.029 22.610 1.00 0.00 N ATOM 31 CA GLY A 4 8.974 19.029 22.664 1.00 0.00 C ATOM 32 C GLY A 4 7.941 19.331 23.732 1.00 0.00 C ATOM 33 O GLY A 4 8.234 19.261 24.925 1.00 0.00 O ATOM 0 H GLY A 4 9.805 20.908 23.078 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.482 18.971 21.693 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.416 18.052 22.857 1.00 0.00 H new ATOM 37 N SER A 5 6.730 19.669 23.302 1.00 0.00 N ATOM 38 CA SER A 5 5.651 19.988 24.230 1.00 0.00 C ATOM 39 C SER A 5 4.631 18.855 24.287 1.00 0.00 C ATOM 40 O SER A 5 4.310 18.242 23.269 1.00 0.00 O ATOM 41 CB SER A 5 4.962 21.290 23.815 1.00 0.00 C ATOM 42 OG SER A 5 4.187 21.106 22.643 1.00 0.00 O ATOM 0 H SER A 5 6.471 19.729 22.317 1.00 0.00 H new ATOM 0 HA SER A 5 6.083 20.114 25.223 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.323 21.641 24.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.711 22.062 23.642 1.00 0.00 H new ATOM 0 HG SER A 5 3.756 21.952 22.400 1.00 0.00 H new ATOM 48 N SER A 6 4.124 18.584 25.485 1.00 0.00 N ATOM 49 CA SER A 6 3.143 17.522 25.678 1.00 0.00 C ATOM 50 C SER A 6 1.807 18.095 26.140 1.00 0.00 C ATOM 51 O SER A 6 1.751 18.902 27.067 1.00 0.00 O ATOM 52 CB SER A 6 3.655 16.505 26.699 1.00 0.00 C ATOM 53 OG SER A 6 2.940 15.285 26.606 1.00 0.00 O ATOM 0 H SER A 6 4.376 19.085 26.337 1.00 0.00 H new ATOM 0 HA SER A 6 2.993 17.021 24.722 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.717 16.322 26.533 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.555 16.913 27.705 1.00 0.00 H new ATOM 0 HG SER A 6 3.287 14.651 27.268 1.00 0.00 H new ATOM 59 N GLY A 7 0.730 17.671 25.485 1.00 0.00 N ATOM 60 CA GLY A 7 -0.592 18.152 25.841 1.00 0.00 C ATOM 61 C GLY A 7 -1.467 18.396 24.627 1.00 0.00 C ATOM 62 O GLY A 7 -1.285 19.380 23.909 1.00 0.00 O ATOM 0 H GLY A 7 0.750 17.003 24.714 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.076 17.425 26.494 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.498 19.078 26.409 1.00 0.00 H new ATOM 66 N HIS A 8 -2.419 17.498 24.396 1.00 0.00 N ATOM 67 CA HIS A 8 -3.325 17.620 23.259 1.00 0.00 C ATOM 68 C HIS A 8 -4.758 17.853 23.729 1.00 0.00 C ATOM 69 O HIS A 8 -5.550 16.916 23.829 1.00 0.00 O ATOM 70 CB HIS A 8 -3.260 16.364 22.390 1.00 0.00 C ATOM 71 CG HIS A 8 -1.987 16.242 21.610 1.00 0.00 C ATOM 72 ND1 HIS A 8 -1.416 15.029 21.287 1.00 0.00 N ATOM 73 CD2 HIS A 8 -1.175 17.189 21.086 1.00 0.00 C ATOM 74 CE1 HIS A 8 -0.307 15.236 20.600 1.00 0.00 C ATOM 75 NE2 HIS A 8 -0.138 16.539 20.463 1.00 0.00 N ATOM 0 H HIS A 8 -2.583 16.678 24.980 1.00 0.00 H new ATOM 0 HA HIS A 8 -3.010 18.479 22.667 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.373 15.486 23.026 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.102 16.367 21.698 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.316 18.258 21.146 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.350 14.470 20.216 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.636 16.989 19.974 1.00 0.00 H new ATOM 83 N PHE A 9 -5.084 19.109 24.017 1.00 0.00 N ATOM 84 CA PHE A 9 -6.421 19.465 24.478 1.00 0.00 C ATOM 85 C PHE A 9 -7.489 18.771 23.638 1.00 0.00 C ATOM 86 O PHE A 9 -7.260 18.387 22.491 1.00 0.00 O ATOM 87 CB PHE A 9 -6.616 20.982 24.421 1.00 0.00 C ATOM 88 CG PHE A 9 -6.075 21.702 25.622 1.00 0.00 C ATOM 89 CD1 PHE A 9 -4.714 21.719 25.881 1.00 0.00 C ATOM 90 CD2 PHE A 9 -6.927 22.363 26.492 1.00 0.00 C ATOM 91 CE1 PHE A 9 -4.214 22.381 26.987 1.00 0.00 C ATOM 92 CE2 PHE A 9 -6.433 23.027 27.599 1.00 0.00 C ATOM 93 CZ PHE A 9 -5.074 23.036 27.846 1.00 0.00 C ATOM 0 H PHE A 9 -4.441 19.897 23.939 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.523 19.131 25.511 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.130 21.369 23.526 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.680 21.200 24.325 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.036 21.210 25.212 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.990 22.359 26.303 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.151 22.386 27.179 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.108 23.538 28.270 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.685 23.555 28.710 1.00 0.00 H new ATOM 103 N PRO A 10 -8.685 18.605 24.222 1.00 0.00 N ATOM 104 CA PRO A 10 -9.813 17.957 23.547 1.00 0.00 C ATOM 105 C PRO A 10 -10.375 18.807 22.412 1.00 0.00 C ATOM 106 O PRO A 10 -11.361 18.435 21.776 1.00 0.00 O ATOM 107 CB PRO A 10 -10.850 17.798 24.661 1.00 0.00 C ATOM 108 CG PRO A 10 -10.522 18.873 25.640 1.00 0.00 C ATOM 109 CD PRO A 10 -9.029 19.038 25.587 1.00 0.00 C ATOM 0 HA PRO A 10 -9.522 17.016 23.080 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.864 17.908 24.277 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.789 16.812 25.121 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.027 19.804 25.382 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.849 18.601 26.643 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.732 20.071 25.767 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.530 18.427 26.340 1.00 0.00 H new ATOM 117 N ALA A 11 -9.742 19.949 22.165 1.00 0.00 N ATOM 118 CA ALA A 11 -10.178 20.850 21.105 1.00 0.00 C ATOM 119 C ALA A 11 -9.509 20.503 19.779 1.00 0.00 C ATOM 120 O ALA A 11 -8.585 19.690 19.734 1.00 0.00 O ATOM 121 CB ALA A 11 -9.883 22.293 21.485 1.00 0.00 C ATOM 0 H ALA A 11 -8.926 20.272 22.684 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.254 20.731 20.981 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.214 22.955 20.685 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.413 22.543 22.404 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.811 22.417 21.639 1.00 0.00 H new ATOM 127 N ARG A 12 -9.983 21.122 18.703 1.00 0.00 N ATOM 128 CA ARG A 12 -9.431 20.877 17.376 1.00 0.00 C ATOM 129 C ARG A 12 -9.585 22.107 16.487 1.00 0.00 C ATOM 130 O ARG A 12 -10.654 22.715 16.430 1.00 0.00 O ATOM 131 CB ARG A 12 -10.123 19.676 16.727 1.00 0.00 C ATOM 132 CG ARG A 12 -9.622 18.335 17.238 1.00 0.00 C ATOM 133 CD ARG A 12 -10.495 17.191 16.748 1.00 0.00 C ATOM 134 NE ARG A 12 -11.869 17.307 17.226 1.00 0.00 N ATOM 135 CZ ARG A 12 -12.709 16.281 17.305 1.00 0.00 C ATOM 136 NH1 ARG A 12 -12.316 15.069 16.940 1.00 0.00 N ATOM 137 NH2 ARG A 12 -13.945 16.466 17.751 1.00 0.00 N ATOM 0 H ARG A 12 -10.748 21.797 18.724 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.368 20.661 17.486 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.196 19.745 16.906 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.976 19.722 15.648 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.595 18.179 16.907 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.607 18.342 18.328 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.491 17.173 15.658 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.073 16.244 17.084 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.203 18.226 17.515 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.366 14.922 16.597 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.963 14.283 17.002 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.251 17.397 18.034 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.589 15.677 17.811 1.00 0.00 H new ATOM 151 N VAL A 13 -8.509 22.470 15.796 1.00 0.00 N ATOM 152 CA VAL A 13 -8.524 23.627 14.909 1.00 0.00 C ATOM 153 C VAL A 13 -8.245 23.219 13.467 1.00 0.00 C ATOM 154 O VAL A 13 -7.520 22.258 13.212 1.00 0.00 O ATOM 155 CB VAL A 13 -7.487 24.680 15.343 1.00 0.00 C ATOM 156 CG1 VAL A 13 -7.493 25.862 14.386 1.00 0.00 C ATOM 157 CG2 VAL A 13 -7.756 25.137 16.769 1.00 0.00 C ATOM 0 H VAL A 13 -7.616 21.979 15.834 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.522 24.062 14.973 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.498 24.224 15.313 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.754 26.595 14.709 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.248 25.518 13.381 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.482 26.321 14.381 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.014 25.881 17.059 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.752 25.576 16.829 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.695 24.282 17.443 1.00 0.00 H new ATOM 167 N LYS A 14 -8.826 23.956 12.526 1.00 0.00 N ATOM 168 CA LYS A 14 -8.639 23.673 11.108 1.00 0.00 C ATOM 169 C LYS A 14 -7.167 23.779 10.722 1.00 0.00 C ATOM 170 O LYS A 14 -6.514 24.786 10.993 1.00 0.00 O ATOM 171 CB LYS A 14 -9.470 24.639 10.261 1.00 0.00 C ATOM 172 CG LYS A 14 -9.724 24.144 8.847 1.00 0.00 C ATOM 173 CD LYS A 14 -10.481 25.172 8.024 1.00 0.00 C ATOM 174 CE LYS A 14 -11.931 25.287 8.470 1.00 0.00 C ATOM 175 NZ LYS A 14 -12.808 25.796 7.380 1.00 0.00 N ATOM 0 H LYS A 14 -9.431 24.754 12.720 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.974 22.653 10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.427 24.811 10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.958 25.600 10.214 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.774 23.918 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.293 23.215 8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.993 26.143 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.444 24.894 6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.289 24.311 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.995 25.955 9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.787 25.860 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.483 26.738 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.767 25.146 6.569 1.00 0.00 H new ATOM 189 N VAL A 15 -6.651 22.732 10.085 1.00 0.00 N ATOM 190 CA VAL A 15 -5.257 22.709 9.658 1.00 0.00 C ATOM 191 C VAL A 15 -5.140 22.347 8.182 1.00 0.00 C ATOM 192 O VAL A 15 -4.964 21.181 7.831 1.00 0.00 O ATOM 193 CB VAL A 15 -4.433 21.706 10.488 1.00 0.00 C ATOM 194 CG1 VAL A 15 -2.995 21.659 9.994 1.00 0.00 C ATOM 195 CG2 VAL A 15 -4.487 22.065 11.965 1.00 0.00 C ATOM 0 H VAL A 15 -7.177 21.889 9.854 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.861 23.712 9.815 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.867 20.714 10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.428 20.945 10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.979 21.350 8.949 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.546 22.648 10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.900 21.346 12.536 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.079 23.065 12.112 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.522 22.042 12.308 1.00 0.00 H new ATOM 205 N GLU A 16 -5.239 23.356 7.321 1.00 0.00 N ATOM 206 CA GLU A 16 -5.145 23.144 5.882 1.00 0.00 C ATOM 207 C GLU A 16 -3.860 22.401 5.525 1.00 0.00 C ATOM 208 O GLU A 16 -2.809 22.598 6.135 1.00 0.00 O ATOM 209 CB GLU A 16 -5.195 24.482 5.142 1.00 0.00 C ATOM 210 CG GLU A 16 -3.936 25.316 5.305 1.00 0.00 C ATOM 211 CD GLU A 16 -4.163 26.782 4.995 1.00 0.00 C ATOM 212 OE1 GLU A 16 -4.536 27.533 5.921 1.00 0.00 O ATOM 213 OE2 GLU A 16 -3.968 27.180 3.827 1.00 0.00 O ATOM 0 H GLU A 16 -5.384 24.328 7.596 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.995 22.535 5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.362 24.295 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.049 25.055 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.569 25.217 6.327 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.159 24.926 4.648 1.00 0.00 H new ATOM 220 N PRO A 17 -3.946 21.525 4.512 1.00 0.00 N ATOM 221 CA PRO A 17 -2.801 20.734 4.051 1.00 0.00 C ATOM 222 C PRO A 17 -1.751 21.590 3.351 1.00 0.00 C ATOM 223 O PRO A 17 -2.070 22.374 2.458 1.00 0.00 O ATOM 224 CB PRO A 17 -3.428 19.745 3.065 1.00 0.00 C ATOM 225 CG PRO A 17 -4.664 20.422 2.583 1.00 0.00 C ATOM 226 CD PRO A 17 -5.167 21.239 3.741 1.00 0.00 C ATOM 0 HA PRO A 17 -2.275 20.257 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.750 19.525 2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.660 18.796 3.549 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.451 21.055 1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.410 19.693 2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.654 22.155 3.405 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.897 20.688 4.334 1.00 0.00 H new ATOM 234 N ALA A 18 -0.497 21.433 3.762 1.00 0.00 N ATOM 235 CA ALA A 18 0.601 22.190 3.173 1.00 0.00 C ATOM 236 C ALA A 18 1.328 21.367 2.114 1.00 0.00 C ATOM 237 O ALA A 18 2.460 21.677 1.742 1.00 0.00 O ATOM 238 CB ALA A 18 1.573 22.639 4.254 1.00 0.00 C ATOM 0 H ALA A 18 -0.216 20.788 4.501 1.00 0.00 H new ATOM 0 HA ALA A 18 0.183 23.072 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.388 23.203 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.051 23.271 4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.978 21.765 4.765 1.00 0.00 H new ATOM 244 N VAL A 19 0.671 20.317 1.633 1.00 0.00 N ATOM 245 CA VAL A 19 1.255 19.450 0.616 1.00 0.00 C ATOM 246 C VAL A 19 0.184 18.904 -0.321 1.00 0.00 C ATOM 247 O VAL A 19 -0.960 18.693 0.082 1.00 0.00 O ATOM 248 CB VAL A 19 2.014 18.271 1.253 1.00 0.00 C ATOM 249 CG1 VAL A 19 1.039 17.266 1.846 1.00 0.00 C ATOM 250 CG2 VAL A 19 2.921 17.606 0.228 1.00 0.00 C ATOM 0 H VAL A 19 -0.266 20.046 1.931 1.00 0.00 H new ATOM 0 HA VAL A 19 1.957 20.059 0.046 1.00 0.00 H new ATOM 0 HB VAL A 19 2.637 18.656 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.594 16.440 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.436 17.753 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.388 16.884 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.450 16.775 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.320 17.234 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.643 18.332 -0.144 1.00 0.00 H new ATOM 260 N ASP A 20 0.562 18.676 -1.574 1.00 0.00 N ATOM 261 CA ASP A 20 -0.365 18.153 -2.570 1.00 0.00 C ATOM 262 C ASP A 20 -0.537 16.645 -2.413 1.00 0.00 C ATOM 263 O ASP A 20 -1.641 16.157 -2.168 1.00 0.00 O ATOM 264 CB ASP A 20 0.130 18.477 -3.980 1.00 0.00 C ATOM 265 CG ASP A 20 0.702 19.878 -4.085 1.00 0.00 C ATOM 266 OD1 ASP A 20 0.098 20.809 -3.513 1.00 0.00 O ATOM 267 OD2 ASP A 20 1.753 20.043 -4.740 1.00 0.00 O ATOM 0 H ASP A 20 1.505 18.845 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.333 18.630 -2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.892 17.754 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.695 18.370 -4.685 1.00 0.00 H new ATOM 272 N THR A 21 0.562 15.911 -2.555 1.00 0.00 N ATOM 273 CA THR A 21 0.532 14.459 -2.431 1.00 0.00 C ATOM 274 C THR A 21 -0.750 13.883 -3.020 1.00 0.00 C ATOM 275 O THR A 21 -1.334 12.951 -2.467 1.00 0.00 O ATOM 276 CB THR A 21 0.652 14.018 -0.960 1.00 0.00 C ATOM 277 OG1 THR A 21 -0.368 14.647 -0.176 1.00 0.00 O ATOM 278 CG2 THR A 21 2.021 14.372 -0.399 1.00 0.00 C ATOM 0 H THR A 21 1.484 16.298 -2.756 1.00 0.00 H new ATOM 0 HA THR A 21 1.388 14.077 -2.988 1.00 0.00 H new ATOM 0 HB THR A 21 0.528 12.936 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.286 14.361 0.758 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.082 14.051 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.794 13.869 -0.980 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.169 15.450 -0.455 1.00 0.00 H new ATOM 286 N SER A 22 -1.183 14.442 -4.145 1.00 0.00 N ATOM 287 CA SER A 22 -2.400 13.986 -4.807 1.00 0.00 C ATOM 288 C SER A 22 -2.070 13.254 -6.105 1.00 0.00 C ATOM 289 O SER A 22 -2.919 12.573 -6.680 1.00 0.00 O ATOM 290 CB SER A 22 -3.323 15.170 -5.097 1.00 0.00 C ATOM 291 OG SER A 22 -4.230 15.383 -4.029 1.00 0.00 O ATOM 0 H SER A 22 -0.709 15.212 -4.618 1.00 0.00 H new ATOM 0 HA SER A 22 -2.910 13.293 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.727 16.069 -5.257 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.877 14.986 -6.018 1.00 0.00 H new ATOM 0 HG SER A 22 -4.808 16.146 -4.238 1.00 0.00 H new ATOM 297 N ARG A 23 -0.830 13.400 -6.560 1.00 0.00 N ATOM 298 CA ARG A 23 -0.386 12.755 -7.790 1.00 0.00 C ATOM 299 C ARG A 23 0.706 11.729 -7.503 1.00 0.00 C ATOM 300 O ARG A 23 1.495 11.385 -8.383 1.00 0.00 O ATOM 301 CB ARG A 23 0.128 13.799 -8.782 1.00 0.00 C ATOM 302 CG ARG A 23 1.047 14.835 -8.155 1.00 0.00 C ATOM 303 CD ARG A 23 1.434 15.914 -9.153 1.00 0.00 C ATOM 304 NE ARG A 23 1.711 17.190 -8.499 1.00 0.00 N ATOM 305 CZ ARG A 23 0.765 18.036 -8.107 1.00 0.00 C ATOM 306 NH1 ARG A 23 -0.513 17.742 -8.301 1.00 0.00 N ATOM 307 NH2 ARG A 23 1.096 19.178 -7.519 1.00 0.00 N ATOM 0 H ARG A 23 -0.115 13.959 -6.095 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.240 12.238 -8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.661 13.292 -9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.723 14.307 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.551 15.291 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.946 14.346 -7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.314 15.594 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.629 16.044 -9.876 1.00 0.00 H new ATOM 0 HE ARG A 23 2.685 17.446 -8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.772 16.865 -8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.238 18.393 -7.999 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.078 19.408 -7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.368 19.827 -7.219 1.00 0.00 H new ATOM 321 N ILE A 24 0.745 11.244 -6.266 1.00 0.00 N ATOM 322 CA ILE A 24 1.740 10.258 -5.863 1.00 0.00 C ATOM 323 C ILE A 24 1.429 8.889 -6.460 1.00 0.00 C ATOM 324 O ILE A 24 0.307 8.393 -6.355 1.00 0.00 O ATOM 325 CB ILE A 24 1.819 10.131 -4.331 1.00 0.00 C ATOM 326 CG1 ILE A 24 2.535 11.344 -3.733 1.00 0.00 C ATOM 327 CG2 ILE A 24 2.531 8.844 -3.941 1.00 0.00 C ATOM 328 CD1 ILE A 24 2.691 11.274 -2.230 1.00 0.00 C ATOM 0 H ILE A 24 0.099 11.518 -5.526 1.00 0.00 H new ATOM 0 HA ILE A 24 2.701 10.607 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 24 0.805 10.097 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.521 11.435 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.981 12.246 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.579 8.769 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.983 7.990 -4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.542 8.849 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.207 12.166 -1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.707 11.215 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.272 10.390 -1.965 1.00 0.00 H new ATOM 340 N LYS A 25 2.432 8.281 -7.085 1.00 0.00 N ATOM 341 CA LYS A 25 2.268 6.968 -7.697 1.00 0.00 C ATOM 342 C LYS A 25 3.100 5.920 -6.964 1.00 0.00 C ATOM 343 O LYS A 25 4.236 6.181 -6.567 1.00 0.00 O ATOM 344 CB LYS A 25 2.673 7.015 -9.172 1.00 0.00 C ATOM 345 CG LYS A 25 1.525 7.355 -10.106 1.00 0.00 C ATOM 346 CD LYS A 25 1.966 7.341 -11.560 1.00 0.00 C ATOM 347 CE LYS A 25 2.762 8.588 -11.913 1.00 0.00 C ATOM 348 NZ LYS A 25 3.196 8.584 -13.338 1.00 0.00 N ATOM 0 H LYS A 25 3.367 8.677 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 25 1.217 6.689 -7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.465 7.753 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.089 6.049 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.715 6.640 -9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.129 8.339 -9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.573 6.455 -11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.091 7.272 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.155 9.473 -11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.637 8.655 -11.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.735 9.450 -13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.796 7.753 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.360 8.546 -13.955 1.00 0.00 H new ATOM 362 N VAL A 26 2.528 4.732 -6.790 1.00 0.00 N ATOM 363 CA VAL A 26 3.218 3.644 -6.108 1.00 0.00 C ATOM 364 C VAL A 26 3.217 2.376 -6.955 1.00 0.00 C ATOM 365 O VAL A 26 2.163 1.897 -7.373 1.00 0.00 O ATOM 366 CB VAL A 26 2.572 3.337 -4.744 1.00 0.00 C ATOM 367 CG1 VAL A 26 2.924 4.416 -3.732 1.00 0.00 C ATOM 368 CG2 VAL A 26 1.063 3.201 -4.888 1.00 0.00 C ATOM 0 H VAL A 26 1.589 4.499 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 26 4.246 3.971 -5.950 1.00 0.00 H new ATOM 0 HB VAL A 26 2.966 2.388 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.459 4.182 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.006 4.460 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.560 5.380 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.623 2.984 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.649 4.132 -5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.835 2.389 -5.578 1.00 0.00 H new ATOM 378 N PHE A 27 4.406 1.837 -7.204 1.00 0.00 N ATOM 379 CA PHE A 27 4.543 0.624 -8.002 1.00 0.00 C ATOM 380 C PHE A 27 5.388 -0.415 -7.271 1.00 0.00 C ATOM 381 O PHE A 27 6.318 -0.074 -6.542 1.00 0.00 O ATOM 382 CB PHE A 27 5.174 0.949 -9.358 1.00 0.00 C ATOM 383 CG PHE A 27 6.434 1.759 -9.254 1.00 0.00 C ATOM 384 CD1 PHE A 27 7.665 1.136 -9.119 1.00 0.00 C ATOM 385 CD2 PHE A 27 6.389 3.143 -9.292 1.00 0.00 C ATOM 386 CE1 PHE A 27 8.826 1.879 -9.022 1.00 0.00 C ATOM 387 CE2 PHE A 27 7.547 3.892 -9.196 1.00 0.00 C ATOM 388 CZ PHE A 27 8.767 3.259 -9.062 1.00 0.00 C ATOM 0 H PHE A 27 5.288 2.221 -6.865 1.00 0.00 H new ATOM 0 HA PHE A 27 3.548 0.210 -8.162 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.392 0.018 -9.881 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.451 1.493 -9.965 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.717 0.058 -9.089 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.438 3.643 -9.398 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.779 1.382 -8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.498 4.970 -9.226 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.673 3.842 -8.989 1.00 0.00 H new ATOM 398 N GLY A 28 5.056 -1.687 -7.472 1.00 0.00 N ATOM 399 CA GLY A 28 5.792 -2.757 -6.825 1.00 0.00 C ATOM 400 C GLY A 28 4.880 -3.814 -6.235 1.00 0.00 C ATOM 401 O GLY A 28 3.678 -3.605 -6.068 1.00 0.00 O ATOM 0 H GLY A 28 4.290 -1.995 -8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.462 -3.222 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.416 -2.339 -6.036 1.00 0.00 H new ATOM 405 N PRO A 29 5.454 -4.982 -5.910 1.00 0.00 N ATOM 406 CA PRO A 29 4.703 -6.100 -5.331 1.00 0.00 C ATOM 407 C PRO A 29 4.247 -5.814 -3.904 1.00 0.00 C ATOM 408 O PRO A 29 3.161 -6.224 -3.495 1.00 0.00 O ATOM 409 CB PRO A 29 5.710 -7.252 -5.350 1.00 0.00 C ATOM 410 CG PRO A 29 7.044 -6.590 -5.324 1.00 0.00 C ATOM 411 CD PRO A 29 6.881 -5.301 -6.082 1.00 0.00 C ATOM 0 HA PRO A 29 3.788 -6.307 -5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.577 -7.908 -4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.591 -7.867 -6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.367 -6.402 -4.300 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.802 -7.222 -5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.520 -4.515 -5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.143 -5.417 -7.134 1.00 0.00 H new ATOM 419 N GLY A 30 5.084 -5.108 -3.150 1.00 0.00 N ATOM 420 CA GLY A 30 4.748 -4.780 -1.777 1.00 0.00 C ATOM 421 C GLY A 30 3.434 -4.034 -1.664 1.00 0.00 C ATOM 422 O GLY A 30 2.855 -3.945 -0.581 1.00 0.00 O ATOM 0 H GLY A 30 5.988 -4.757 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.693 -5.697 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.545 -4.174 -1.346 1.00 0.00 H new ATOM 426 N ILE A 31 2.962 -3.496 -2.783 1.00 0.00 N ATOM 427 CA ILE A 31 1.708 -2.754 -2.804 1.00 0.00 C ATOM 428 C ILE A 31 0.734 -3.349 -3.816 1.00 0.00 C ATOM 429 O ILE A 31 -0.475 -3.141 -3.723 1.00 0.00 O ATOM 430 CB ILE A 31 1.938 -1.269 -3.142 1.00 0.00 C ATOM 431 CG1 ILE A 31 0.660 -0.464 -2.898 1.00 0.00 C ATOM 432 CG2 ILE A 31 2.397 -1.119 -4.585 1.00 0.00 C ATOM 433 CD1 ILE A 31 0.326 -0.291 -1.433 1.00 0.00 C ATOM 0 H ILE A 31 3.429 -3.560 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 31 1.280 -2.829 -1.804 1.00 0.00 H new ATOM 0 HB ILE A 31 2.720 -0.880 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.766 0.519 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.173 -0.960 -3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.555 -0.064 -4.809 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.330 -1.664 -4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.635 -1.521 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.592 0.289 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.187 -1.270 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.141 0.232 -0.933 1.00 0.00 H new ATOM 445 N GLU A 32 1.270 -4.090 -4.780 1.00 0.00 N ATOM 446 CA GLU A 32 0.447 -4.717 -5.808 1.00 0.00 C ATOM 447 C GLU A 32 -0.117 -6.047 -5.318 1.00 0.00 C ATOM 448 O GLU A 32 -1.314 -6.306 -5.433 1.00 0.00 O ATOM 449 CB GLU A 32 1.264 -4.935 -7.083 1.00 0.00 C ATOM 450 CG GLU A 32 1.579 -3.652 -7.832 1.00 0.00 C ATOM 451 CD GLU A 32 0.469 -3.243 -8.782 1.00 0.00 C ATOM 452 OE1 GLU A 32 -0.651 -2.969 -8.303 1.00 0.00 O ATOM 453 OE2 GLU A 32 0.722 -3.198 -10.004 1.00 0.00 O ATOM 0 H GLU A 32 2.270 -4.271 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.386 -4.049 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.198 -5.433 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.717 -5.607 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.752 -2.850 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.504 -3.782 -8.394 1.00 0.00 H new ATOM 460 N GLY A 33 0.755 -6.888 -4.770 1.00 0.00 N ATOM 461 CA GLY A 33 0.326 -8.181 -4.271 1.00 0.00 C ATOM 462 C GLY A 33 0.831 -9.328 -5.125 1.00 0.00 C ATOM 463 O GLY A 33 0.076 -10.240 -5.461 1.00 0.00 O ATOM 0 H GLY A 33 1.751 -6.697 -4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.682 -8.309 -3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.763 -8.210 -4.235 1.00 0.00 H new ATOM 467 N LYS A 34 2.111 -9.282 -5.477 1.00 0.00 N ATOM 468 CA LYS A 34 2.717 -10.325 -6.297 1.00 0.00 C ATOM 469 C LYS A 34 3.559 -11.267 -5.444 1.00 0.00 C ATOM 470 O LYS A 34 3.192 -12.423 -5.232 1.00 0.00 O ATOM 471 CB LYS A 34 3.583 -9.701 -7.394 1.00 0.00 C ATOM 472 CG LYS A 34 2.946 -8.493 -8.058 1.00 0.00 C ATOM 473 CD LYS A 34 1.683 -8.873 -8.812 1.00 0.00 C ATOM 474 CE LYS A 34 1.993 -9.307 -10.237 1.00 0.00 C ATOM 475 NZ LYS A 34 2.872 -10.509 -10.270 1.00 0.00 N ATOM 0 H LYS A 34 2.749 -8.534 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 34 1.915 -10.901 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.541 -9.407 -6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.792 -10.455 -8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.708 -7.744 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.658 -8.037 -8.746 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.174 -9.681 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.999 -8.024 -8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.062 -9.523 -10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.477 -8.488 -10.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.791 -10.973 -11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.859 -10.222 -10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.581 -11.173 -9.524 1.00 0.00 H new ATOM 489 N ASP A 35 4.689 -10.766 -4.956 1.00 0.00 N ATOM 490 CA ASP A 35 5.582 -11.563 -4.123 1.00 0.00 C ATOM 491 C ASP A 35 5.405 -11.215 -2.648 1.00 0.00 C ATOM 492 O ASP A 35 6.344 -11.313 -1.859 1.00 0.00 O ATOM 493 CB ASP A 35 7.037 -11.341 -4.541 1.00 0.00 C ATOM 494 CG ASP A 35 7.207 -11.306 -6.047 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.035 -12.364 -6.688 1.00 0.00 O ATOM 496 OD2 ASP A 35 7.514 -10.221 -6.585 1.00 0.00 O ATOM 0 H ASP A 35 5.008 -9.812 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 35 5.328 -12.614 -4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.395 -10.403 -4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.657 -12.136 -4.127 1.00 0.00 H new ATOM 501 N VAL A 36 4.194 -10.806 -2.283 1.00 0.00 N ATOM 502 CA VAL A 36 3.893 -10.443 -0.904 1.00 0.00 C ATOM 503 C VAL A 36 3.434 -11.657 -0.104 1.00 0.00 C ATOM 504 O VAL A 36 2.932 -11.524 1.013 1.00 0.00 O ATOM 505 CB VAL A 36 2.805 -9.355 -0.834 1.00 0.00 C ATOM 506 CG1 VAL A 36 2.568 -8.928 0.606 1.00 0.00 C ATOM 507 CG2 VAL A 36 3.190 -8.161 -1.696 1.00 0.00 C ATOM 0 H VAL A 36 3.405 -10.718 -2.924 1.00 0.00 H new ATOM 0 HA VAL A 36 4.814 -10.053 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 36 1.875 -9.770 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.796 -8.159 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.245 -9.788 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.493 -8.530 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.410 -7.402 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.132 -7.744 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.304 -8.482 -2.732 1.00 0.00 H new ATOM 517 N PHE A 37 3.610 -12.840 -0.682 1.00 0.00 N ATOM 518 CA PHE A 37 3.214 -14.079 -0.023 1.00 0.00 C ATOM 519 C PHE A 37 3.588 -14.053 1.456 1.00 0.00 C ATOM 520 O PHE A 37 4.449 -13.279 1.876 1.00 0.00 O ATOM 521 CB PHE A 37 3.873 -15.279 -0.706 1.00 0.00 C ATOM 522 CG PHE A 37 3.896 -15.177 -2.204 1.00 0.00 C ATOM 523 CD1 PHE A 37 2.749 -14.846 -2.907 1.00 0.00 C ATOM 524 CD2 PHE A 37 5.065 -15.414 -2.910 1.00 0.00 C ATOM 525 CE1 PHE A 37 2.767 -14.752 -4.286 1.00 0.00 C ATOM 526 CE2 PHE A 37 5.089 -15.320 -4.289 1.00 0.00 C ATOM 527 CZ PHE A 37 3.938 -14.990 -4.978 1.00 0.00 C ATOM 0 H PHE A 37 4.024 -12.967 -1.605 1.00 0.00 H new ATOM 0 HA PHE A 37 2.131 -14.173 -0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.895 -15.379 -0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.342 -16.187 -0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.830 -14.659 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.967 -15.675 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.866 -14.493 -4.822 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.007 -15.504 -4.827 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.954 -14.918 -6.055 1.00 0.00 H new ATOM 537 N ARG A 38 2.934 -14.903 2.241 1.00 0.00 N ATOM 538 CA ARG A 38 3.196 -14.976 3.674 1.00 0.00 C ATOM 539 C ARG A 38 4.650 -15.355 3.941 1.00 0.00 C ATOM 540 O ARG A 38 5.199 -16.244 3.292 1.00 0.00 O ATOM 541 CB ARG A 38 2.264 -15.993 4.333 1.00 0.00 C ATOM 542 CG ARG A 38 2.172 -15.846 5.843 1.00 0.00 C ATOM 543 CD ARG A 38 1.189 -16.841 6.441 1.00 0.00 C ATOM 544 NE ARG A 38 1.407 -17.033 7.872 1.00 0.00 N ATOM 545 CZ ARG A 38 0.948 -18.078 8.552 1.00 0.00 C ATOM 546 NH1 ARG A 38 0.248 -19.020 7.933 1.00 0.00 N ATOM 547 NH2 ARG A 38 1.188 -18.183 9.852 1.00 0.00 N ATOM 0 H ARG A 38 2.219 -15.551 1.909 1.00 0.00 H new ATOM 0 HA ARG A 38 3.010 -13.992 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.267 -15.890 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.611 -16.999 4.095 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.157 -15.996 6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.862 -14.831 6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.171 -16.490 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.285 -17.798 5.928 1.00 0.00 H new ATOM 0 HE ARG A 38 1.941 -16.326 8.377 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.061 -18.943 6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.103 -19.821 8.457 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.726 -17.461 10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.835 -18.986 10.373 1.00 0.00 H new ATOM 561 N GLU A 39 5.267 -14.672 4.901 1.00 0.00 N ATOM 562 CA GLU A 39 6.657 -14.936 5.253 1.00 0.00 C ATOM 563 C GLU A 39 7.582 -14.646 4.074 1.00 0.00 C ATOM 564 O GLU A 39 8.565 -15.352 3.854 1.00 0.00 O ATOM 565 CB GLU A 39 6.825 -16.390 5.701 1.00 0.00 C ATOM 566 CG GLU A 39 6.485 -16.619 7.164 1.00 0.00 C ATOM 567 CD GLU A 39 6.689 -18.059 7.592 1.00 0.00 C ATOM 568 OE1 GLU A 39 6.684 -18.946 6.713 1.00 0.00 O ATOM 569 OE2 GLU A 39 6.852 -18.299 8.806 1.00 0.00 O ATOM 0 H GLU A 39 4.826 -13.933 5.448 1.00 0.00 H new ATOM 0 HA GLU A 39 6.928 -14.275 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.190 -17.027 5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.855 -16.699 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.103 -15.969 7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.448 -16.335 7.341 1.00 0.00 H new ATOM 576 N ALA A 40 7.257 -13.602 3.318 1.00 0.00 N ATOM 577 CA ALA A 40 8.058 -13.217 2.163 1.00 0.00 C ATOM 578 C ALA A 40 8.479 -11.754 2.250 1.00 0.00 C ATOM 579 O ALA A 40 7.709 -10.900 2.691 1.00 0.00 O ATOM 580 CB ALA A 40 7.285 -13.470 0.877 1.00 0.00 C ATOM 0 H ALA A 40 6.445 -13.008 3.485 1.00 0.00 H new ATOM 0 HA ALA A 40 8.961 -13.828 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.895 -13.178 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.039 -14.529 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.366 -12.884 0.884 1.00 0.00 H new ATOM 586 N THR A 41 9.707 -11.470 1.828 1.00 0.00 N ATOM 587 CA THR A 41 10.231 -10.110 1.860 1.00 0.00 C ATOM 588 C THR A 41 9.794 -9.323 0.630 1.00 0.00 C ATOM 589 O THR A 41 10.368 -9.469 -0.450 1.00 0.00 O ATOM 590 CB THR A 41 11.770 -10.103 1.941 1.00 0.00 C ATOM 591 OG1 THR A 41 12.204 -10.843 3.087 1.00 0.00 O ATOM 592 CG2 THR A 41 12.301 -8.680 2.019 1.00 0.00 C ATOM 0 H THR A 41 10.358 -12.164 1.460 1.00 0.00 H new ATOM 0 HA THR A 41 9.825 -9.636 2.754 1.00 0.00 H new ATOM 0 HB THR A 41 12.161 -10.571 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.183 -10.835 3.130 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.389 -8.700 2.075 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.994 -8.128 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.901 -8.190 2.907 1.00 0.00 H new ATOM 600 N THR A 42 8.775 -8.487 0.799 1.00 0.00 N ATOM 601 CA THR A 42 8.260 -7.677 -0.297 1.00 0.00 C ATOM 602 C THR A 42 8.354 -6.190 0.026 1.00 0.00 C ATOM 603 O THR A 42 8.254 -5.790 1.186 1.00 0.00 O ATOM 604 CB THR A 42 6.795 -8.030 -0.618 1.00 0.00 C ATOM 605 OG1 THR A 42 6.401 -7.414 -1.849 1.00 0.00 O ATOM 606 CG2 THR A 42 5.872 -7.574 0.502 1.00 0.00 C ATOM 0 H THR A 42 8.289 -8.353 1.686 1.00 0.00 H new ATOM 0 HA THR A 42 8.877 -7.896 -1.168 1.00 0.00 H new ATOM 0 HB THR A 42 6.717 -9.113 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.736 -7.944 -2.602 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.843 -7.834 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.157 -8.067 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.954 -6.494 0.624 1.00 0.00 H new ATOM 614 N ASP A 43 8.545 -5.376 -1.006 1.00 0.00 N ATOM 615 CA ASP A 43 8.650 -3.932 -0.831 1.00 0.00 C ATOM 616 C ASP A 43 8.147 -3.197 -2.069 1.00 0.00 C ATOM 617 O ASP A 43 8.116 -3.755 -3.166 1.00 0.00 O ATOM 618 CB ASP A 43 10.099 -3.536 -0.541 1.00 0.00 C ATOM 619 CG ASP A 43 11.037 -3.902 -1.675 1.00 0.00 C ATOM 620 OD1 ASP A 43 10.626 -3.780 -2.848 1.00 0.00 O ATOM 621 OD2 ASP A 43 12.183 -4.308 -1.389 1.00 0.00 O ATOM 0 H ASP A 43 8.630 -5.691 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 43 8.027 -3.647 0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.150 -2.462 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.431 -4.027 0.374 1.00 0.00 H new ATOM 626 N PHE A 44 7.753 -1.941 -1.886 1.00 0.00 N ATOM 627 CA PHE A 44 7.249 -1.129 -2.988 1.00 0.00 C ATOM 628 C PHE A 44 8.043 0.168 -3.115 1.00 0.00 C ATOM 629 O PHE A 44 8.905 0.466 -2.288 1.00 0.00 O ATOM 630 CB PHE A 44 5.766 -0.815 -2.781 1.00 0.00 C ATOM 631 CG PHE A 44 5.476 -0.125 -1.479 1.00 0.00 C ATOM 632 CD1 PHE A 44 5.333 -0.855 -0.310 1.00 0.00 C ATOM 633 CD2 PHE A 44 5.346 1.253 -1.424 1.00 0.00 C ATOM 634 CE1 PHE A 44 5.065 -0.223 0.890 1.00 0.00 C ATOM 635 CE2 PHE A 44 5.078 1.891 -0.227 1.00 0.00 C ATOM 636 CZ PHE A 44 4.938 1.152 0.931 1.00 0.00 C ATOM 0 H PHE A 44 7.773 -1.463 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 44 7.367 -1.698 -3.910 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.418 -0.187 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.196 -1.743 -2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.432 -1.930 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.455 1.836 -2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.955 -0.803 1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.978 2.966 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.730 1.648 1.867 1.00 0.00 H new ATOM 646 N THR A 45 7.745 0.937 -4.158 1.00 0.00 N ATOM 647 CA THR A 45 8.431 2.201 -4.396 1.00 0.00 C ATOM 648 C THR A 45 7.436 3.345 -4.550 1.00 0.00 C ATOM 649 O THR A 45 6.473 3.246 -5.312 1.00 0.00 O ATOM 650 CB THR A 45 9.316 2.132 -5.655 1.00 0.00 C ATOM 651 OG1 THR A 45 10.159 0.976 -5.598 1.00 0.00 O ATOM 652 CG2 THR A 45 10.170 3.384 -5.785 1.00 0.00 C ATOM 0 H THR A 45 7.033 0.706 -4.851 1.00 0.00 H new ATOM 0 HA THR A 45 9.063 2.387 -3.527 1.00 0.00 H new ATOM 0 HB THR A 45 8.665 2.064 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.718 0.938 -6.402 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.786 3.313 -6.681 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.524 4.259 -5.858 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.812 3.479 -4.909 1.00 0.00 H new ATOM 660 N VAL A 46 7.674 4.432 -3.824 1.00 0.00 N ATOM 661 CA VAL A 46 6.799 5.597 -3.881 1.00 0.00 C ATOM 662 C VAL A 46 7.436 6.724 -4.687 1.00 0.00 C ATOM 663 O VAL A 46 8.311 7.436 -4.193 1.00 0.00 O ATOM 664 CB VAL A 46 6.462 6.117 -2.471 1.00 0.00 C ATOM 665 CG1 VAL A 46 5.575 7.350 -2.554 1.00 0.00 C ATOM 666 CG2 VAL A 46 5.796 5.025 -1.647 1.00 0.00 C ATOM 0 H VAL A 46 8.466 4.530 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 46 5.879 5.277 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 46 7.390 6.400 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.347 7.703 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.093 8.135 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.648 7.097 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.564 5.409 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.875 4.709 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.470 4.173 -1.559 1.00 0.00 H new ATOM 676 N ASP A 47 6.992 6.880 -5.929 1.00 0.00 N ATOM 677 CA ASP A 47 7.518 7.922 -6.804 1.00 0.00 C ATOM 678 C ASP A 47 7.121 9.306 -6.300 1.00 0.00 C ATOM 679 O ASP A 47 5.936 9.633 -6.224 1.00 0.00 O ATOM 680 CB ASP A 47 7.012 7.720 -8.233 1.00 0.00 C ATOM 681 CG ASP A 47 8.000 8.215 -9.272 1.00 0.00 C ATOM 682 OD1 ASP A 47 9.128 7.682 -9.319 1.00 0.00 O ATOM 683 OD2 ASP A 47 7.643 9.135 -10.038 1.00 0.00 O ATOM 0 H ASP A 47 6.269 6.298 -6.353 1.00 0.00 H new ATOM 0 HA ASP A 47 8.606 7.852 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.814 6.661 -8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.065 8.245 -8.358 1.00 0.00 H new ATOM 688 N SER A 48 8.118 10.114 -5.958 1.00 0.00 N ATOM 689 CA SER A 48 7.873 11.462 -5.457 1.00 0.00 C ATOM 690 C SER A 48 8.752 12.478 -6.179 1.00 0.00 C ATOM 691 O SER A 48 9.961 12.287 -6.311 1.00 0.00 O ATOM 692 CB SER A 48 8.134 11.524 -3.951 1.00 0.00 C ATOM 693 OG SER A 48 8.585 12.810 -3.564 1.00 0.00 O ATOM 0 H SER A 48 9.104 9.859 -6.018 1.00 0.00 H new ATOM 0 HA SER A 48 6.829 11.710 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.220 11.278 -3.410 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.878 10.776 -3.677 1.00 0.00 H new ATOM 0 HG SER A 48 8.033 13.494 -3.997 1.00 0.00 H new ATOM 699 N ARG A 49 8.134 13.559 -6.646 1.00 0.00 N ATOM 700 CA ARG A 49 8.859 14.606 -7.356 1.00 0.00 C ATOM 701 C ARG A 49 8.623 15.966 -6.707 1.00 0.00 C ATOM 702 O ARG A 49 9.506 16.537 -6.065 1.00 0.00 O ATOM 703 CB ARG A 49 8.429 14.647 -8.823 1.00 0.00 C ATOM 704 CG ARG A 49 9.354 13.877 -9.751 1.00 0.00 C ATOM 705 CD ARG A 49 8.693 13.600 -11.093 1.00 0.00 C ATOM 706 NE ARG A 49 9.658 13.162 -12.098 1.00 0.00 N ATOM 707 CZ ARG A 49 9.470 13.299 -13.406 1.00 0.00 C ATOM 708 NH1 ARG A 49 8.360 13.860 -13.864 1.00 0.00 N ATOM 709 NH2 ARG A 49 10.395 12.875 -14.258 1.00 0.00 N ATOM 0 H ARG A 49 7.134 13.732 -6.545 1.00 0.00 H new ATOM 0 HA ARG A 49 9.923 14.377 -7.303 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.421 14.240 -8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.382 15.686 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.271 14.446 -9.906 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.639 12.935 -9.283 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.927 12.835 -10.969 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.190 14.502 -11.442 1.00 0.00 H new ATOM 0 HE ARG A 49 10.523 12.727 -11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.648 14.188 -13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.218 13.964 -14.869 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.251 12.444 -13.909 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.250 12.980 -15.262 1.00 0.00 H new ATOM 723 N PRO A 50 7.405 16.500 -6.877 1.00 0.00 N ATOM 724 CA PRO A 50 7.024 17.800 -6.316 1.00 0.00 C ATOM 725 C PRO A 50 6.903 17.762 -4.796 1.00 0.00 C ATOM 726 O PRO A 50 6.499 18.743 -4.170 1.00 0.00 O ATOM 727 CB PRO A 50 5.661 18.077 -6.954 1.00 0.00 C ATOM 728 CG PRO A 50 5.116 16.730 -7.283 1.00 0.00 C ATOM 729 CD PRO A 50 6.304 15.876 -7.630 1.00 0.00 C ATOM 0 HA PRO A 50 7.770 18.567 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.005 18.613 -6.268 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.760 18.693 -7.848 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.569 16.313 -6.437 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.418 16.785 -8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.153 14.838 -7.334 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.500 15.877 -8.702 1.00 0.00 H new ATOM 737 N LEU A 51 7.254 16.624 -4.208 1.00 0.00 N ATOM 738 CA LEU A 51 7.185 16.458 -2.760 1.00 0.00 C ATOM 739 C LEU A 51 8.579 16.490 -2.141 1.00 0.00 C ATOM 740 O LEU A 51 8.835 17.238 -1.197 1.00 0.00 O ATOM 741 CB LEU A 51 6.489 15.142 -2.410 1.00 0.00 C ATOM 742 CG LEU A 51 5.180 14.858 -3.148 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.476 13.653 -2.542 1.00 0.00 C ATOM 744 CD2 LEU A 51 4.274 16.080 -3.115 1.00 0.00 C ATOM 0 H LEU A 51 7.589 15.802 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 51 6.607 17.287 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.181 14.324 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.288 15.134 -1.339 1.00 0.00 H new ATOM 0 HG LEU A 51 5.413 14.631 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.547 13.466 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.122 12.778 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.255 13.850 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.347 15.860 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.048 16.338 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.777 16.919 -3.596 1.00 0.00 H new ATOM 756 N THR A 52 9.479 15.674 -2.681 1.00 0.00 N ATOM 757 CA THR A 52 10.847 15.609 -2.183 1.00 0.00 C ATOM 758 C THR A 52 11.839 15.419 -3.324 1.00 0.00 C ATOM 759 O THR A 52 11.452 15.103 -4.449 1.00 0.00 O ATOM 760 CB THR A 52 11.022 14.461 -1.170 1.00 0.00 C ATOM 761 OG1 THR A 52 12.293 14.572 -0.519 1.00 0.00 O ATOM 762 CG2 THR A 52 10.917 13.110 -1.860 1.00 0.00 C ATOM 0 H THR A 52 9.285 15.049 -3.463 1.00 0.00 H new ATOM 0 HA THR A 52 11.047 16.558 -1.685 1.00 0.00 H new ATOM 0 HB THR A 52 10.226 14.535 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.398 13.838 0.122 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.044 12.315 -1.125 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.938 13.017 -2.330 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.694 13.028 -2.620 1.00 0.00 H new ATOM 770 N GLN A 53 13.120 15.615 -3.028 1.00 0.00 N ATOM 771 CA GLN A 53 14.168 15.465 -4.031 1.00 0.00 C ATOM 772 C GLN A 53 15.308 14.601 -3.503 1.00 0.00 C ATOM 773 O GLN A 53 15.955 13.877 -4.260 1.00 0.00 O ATOM 774 CB GLN A 53 14.702 16.836 -4.449 1.00 0.00 C ATOM 775 CG GLN A 53 13.624 17.780 -4.956 1.00 0.00 C ATOM 776 CD GLN A 53 12.967 18.569 -3.840 1.00 0.00 C ATOM 777 OE1 GLN A 53 13.645 19.152 -2.993 1.00 0.00 O ATOM 778 NE2 GLN A 53 11.639 18.590 -3.832 1.00 0.00 N ATOM 0 H GLN A 53 13.457 15.878 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 53 13.736 14.970 -4.901 1.00 0.00 H new ATOM 0 HB2 GLN A 53 15.205 17.296 -3.598 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.452 16.702 -5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.061 18.472 -5.676 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.864 17.206 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.117 18.093 -4.553 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.141 19.103 -3.104 1.00 0.00 H new ATOM 787 N VAL A 54 15.551 14.683 -2.198 1.00 0.00 N ATOM 788 CA VAL A 54 16.613 13.908 -1.568 1.00 0.00 C ATOM 789 C VAL A 54 16.040 12.840 -0.644 1.00 0.00 C ATOM 790 O VAL A 54 16.595 12.558 0.417 1.00 0.00 O ATOM 791 CB VAL A 54 17.564 14.812 -0.761 1.00 0.00 C ATOM 792 CG1 VAL A 54 18.171 15.882 -1.656 1.00 0.00 C ATOM 793 CG2 VAL A 54 16.831 15.442 0.414 1.00 0.00 C ATOM 0 H VAL A 54 15.026 15.278 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 54 17.173 13.428 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 54 18.374 14.198 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 54 18.840 16.511 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.732 15.408 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.376 16.495 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.518 16.077 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 54 16.000 16.043 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 54 16.449 14.658 1.067 1.00 0.00 H new ATOM 803 N GLY A 55 14.923 12.246 -1.056 1.00 0.00 N ATOM 804 CA GLY A 55 14.293 11.214 -0.254 1.00 0.00 C ATOM 805 C GLY A 55 13.559 11.779 0.946 1.00 0.00 C ATOM 806 O GLY A 55 12.375 12.103 0.863 1.00 0.00 O ATOM 0 H GLY A 55 14.444 12.461 -1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.593 10.654 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.052 10.509 0.087 1.00 0.00 H new ATOM 810 N GLY A 56 14.264 11.897 2.068 1.00 0.00 N ATOM 811 CA GLY A 56 13.655 12.426 3.274 1.00 0.00 C ATOM 812 C GLY A 56 13.009 11.345 4.119 1.00 0.00 C ATOM 813 O GLY A 56 12.771 10.235 3.643 1.00 0.00 O ATOM 0 H GLY A 56 15.245 11.636 2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.413 12.940 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.904 13.168 3.003 1.00 0.00 H new ATOM 817 N ASP A 57 12.728 11.669 5.376 1.00 0.00 N ATOM 818 CA ASP A 57 12.106 10.717 6.290 1.00 0.00 C ATOM 819 C ASP A 57 10.746 11.223 6.759 1.00 0.00 C ATOM 820 O ASP A 57 10.420 11.152 7.944 1.00 0.00 O ATOM 821 CB ASP A 57 13.015 10.468 7.495 1.00 0.00 C ATOM 822 CG ASP A 57 12.674 9.180 8.219 1.00 0.00 C ATOM 823 OD1 ASP A 57 11.509 9.027 8.643 1.00 0.00 O ATOM 824 OD2 ASP A 57 13.573 8.325 8.362 1.00 0.00 O ATOM 0 H ASP A 57 12.921 12.583 5.786 1.00 0.00 H new ATOM 0 HA ASP A 57 11.959 9.779 5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.052 10.431 7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.932 11.305 8.189 1.00 0.00 H new ATOM 829 N HIS A 58 9.955 11.735 5.821 1.00 0.00 N ATOM 830 CA HIS A 58 8.629 12.253 6.138 1.00 0.00 C ATOM 831 C HIS A 58 7.542 11.296 5.658 1.00 0.00 C ATOM 832 O HIS A 58 6.425 11.714 5.351 1.00 0.00 O ATOM 833 CB HIS A 58 8.430 13.629 5.502 1.00 0.00 C ATOM 834 CG HIS A 58 8.860 14.763 6.381 1.00 0.00 C ATOM 835 ND1 HIS A 58 8.330 16.032 6.285 1.00 0.00 N ATOM 836 CD2 HIS A 58 9.773 14.813 7.379 1.00 0.00 C ATOM 837 CE1 HIS A 58 8.899 16.814 7.184 1.00 0.00 C ATOM 838 NE2 HIS A 58 9.779 16.098 7.862 1.00 0.00 N ATOM 0 H HIS A 58 10.209 11.802 4.836 1.00 0.00 H new ATOM 0 HA HIS A 58 8.553 12.347 7.221 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.989 13.672 4.567 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.377 13.755 5.250 1.00 0.00 H new ATOM 0 HD1 HIS A 58 7.610 16.322 5.623 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.383 13.994 7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.682 17.861 7.339 1.00 0.00 H new ATOM 846 N ILE A 59 7.877 10.012 5.594 1.00 0.00 N ATOM 847 CA ILE A 59 6.930 8.996 5.152 1.00 0.00 C ATOM 848 C ILE A 59 6.595 8.028 6.281 1.00 0.00 C ATOM 849 O ILE A 59 7.459 7.660 7.076 1.00 0.00 O ATOM 850 CB ILE A 59 7.478 8.200 3.953 1.00 0.00 C ATOM 851 CG1 ILE A 59 7.789 9.140 2.787 1.00 0.00 C ATOM 852 CG2 ILE A 59 6.482 7.131 3.528 1.00 0.00 C ATOM 853 CD1 ILE A 59 6.559 9.787 2.188 1.00 0.00 C ATOM 0 H ILE A 59 8.798 9.650 5.843 1.00 0.00 H new ATOM 0 HA ILE A 59 6.024 9.520 4.846 1.00 0.00 H new ATOM 0 HB ILE A 59 8.403 7.708 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.469 9.920 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.311 8.582 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.883 6.577 2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.306 6.447 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.542 7.603 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.855 10.440 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.887 9.015 1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.048 10.373 2.952 1.00 0.00 H new ATOM 865 N LYS A 60 5.333 7.616 6.344 1.00 0.00 N ATOM 866 CA LYS A 60 4.882 6.687 7.374 1.00 0.00 C ATOM 867 C LYS A 60 3.858 5.706 6.810 1.00 0.00 C ATOM 868 O LYS A 60 2.956 6.093 6.070 1.00 0.00 O ATOM 869 CB LYS A 60 4.275 7.453 8.551 1.00 0.00 C ATOM 870 CG LYS A 60 3.798 6.556 9.680 1.00 0.00 C ATOM 871 CD LYS A 60 2.399 6.026 9.418 1.00 0.00 C ATOM 872 CE LYS A 60 1.686 5.672 10.714 1.00 0.00 C ATOM 873 NZ LYS A 60 0.930 6.830 11.267 1.00 0.00 N ATOM 0 H LYS A 60 4.604 7.911 5.694 1.00 0.00 H new ATOM 0 HA LYS A 60 5.747 6.123 7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.017 8.150 8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.436 8.048 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.488 5.721 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.808 7.113 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.821 6.774 8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.456 5.144 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.001 4.843 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.416 5.331 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.459 6.547 12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.587 7.613 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.216 7.140 10.577 1.00 0.00 H new ATOM 887 N ALA A 61 4.005 4.434 7.168 1.00 0.00 N ATOM 888 CA ALA A 61 3.092 3.399 6.701 1.00 0.00 C ATOM 889 C ALA A 61 2.673 2.480 7.844 1.00 0.00 C ATOM 890 O ALA A 61 3.398 2.325 8.826 1.00 0.00 O ATOM 891 CB ALA A 61 3.735 2.593 5.582 1.00 0.00 C ATOM 0 H ALA A 61 4.748 4.096 7.780 1.00 0.00 H new ATOM 0 HA ALA A 61 2.197 3.886 6.314 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.041 1.823 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.978 3.254 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.647 2.123 5.950 1.00 0.00 H new ATOM 897 N HIS A 62 1.498 1.874 7.709 1.00 0.00 N ATOM 898 CA HIS A 62 0.982 0.970 8.731 1.00 0.00 C ATOM 899 C HIS A 62 0.102 -0.109 8.108 1.00 0.00 C ATOM 900 O HIS A 62 -0.952 0.186 7.543 1.00 0.00 O ATOM 901 CB HIS A 62 0.188 1.751 9.779 1.00 0.00 C ATOM 902 CG HIS A 62 -0.153 0.945 10.995 1.00 0.00 C ATOM 903 ND1 HIS A 62 0.644 0.908 12.120 1.00 0.00 N ATOM 904 CD2 HIS A 62 -1.212 0.145 11.259 1.00 0.00 C ATOM 905 CE1 HIS A 62 0.090 0.119 13.023 1.00 0.00 C ATOM 906 NE2 HIS A 62 -1.038 -0.357 12.525 1.00 0.00 N ATOM 0 H HIS A 62 0.885 1.992 6.902 1.00 0.00 H new ATOM 0 HA HIS A 62 1.830 0.487 9.215 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.764 2.625 10.082 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.733 2.118 9.326 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.040 -0.060 10.597 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.491 -0.100 14.002 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.675 -0.994 13.003 1.00 0.00 H new ATOM 914 N ILE A 63 0.541 -1.359 8.215 1.00 0.00 N ATOM 915 CA ILE A 63 -0.208 -2.481 7.663 1.00 0.00 C ATOM 916 C ILE A 63 -1.276 -2.963 8.638 1.00 0.00 C ATOM 917 O ILE A 63 -1.068 -2.965 9.851 1.00 0.00 O ATOM 918 CB ILE A 63 0.721 -3.659 7.313 1.00 0.00 C ATOM 919 CG1 ILE A 63 1.710 -3.250 6.219 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.096 -4.864 6.871 1.00 0.00 C ATOM 921 CD1 ILE A 63 2.984 -4.064 6.222 1.00 0.00 C ATOM 0 H ILE A 63 1.411 -1.620 8.679 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.687 -2.123 6.752 1.00 0.00 H new ATOM 0 HB ILE A 63 1.286 -3.934 8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.226 -3.350 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.961 -2.197 6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.574 -5.688 6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.764 -5.166 7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.684 -4.602 5.991 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.638 -3.720 5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.490 -3.944 7.180 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.744 -5.116 6.067 1.00 0.00 H new ATOM 933 N ALA A 64 -2.420 -3.373 8.100 1.00 0.00 N ATOM 934 CA ALA A 64 -3.520 -3.861 8.922 1.00 0.00 C ATOM 935 C ALA A 64 -4.031 -5.205 8.413 1.00 0.00 C ATOM 936 O ALA A 64 -4.765 -5.267 7.428 1.00 0.00 O ATOM 937 CB ALA A 64 -4.649 -2.842 8.953 1.00 0.00 C ATOM 0 H ALA A 64 -2.609 -3.377 7.098 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.147 -4.004 9.936 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.464 -3.220 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.282 -1.905 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.012 -2.670 7.940 1.00 0.00 H new ATOM 943 N ASN A 65 -3.637 -6.278 9.092 1.00 0.00 N ATOM 944 CA ASN A 65 -4.055 -7.621 8.707 1.00 0.00 C ATOM 945 C ASN A 65 -5.571 -7.767 8.802 1.00 0.00 C ATOM 946 O ASN A 65 -6.246 -7.038 9.529 1.00 0.00 O ATOM 947 CB ASN A 65 -3.375 -8.664 9.596 1.00 0.00 C ATOM 948 CG ASN A 65 -1.932 -8.910 9.198 1.00 0.00 C ATOM 949 OD1 ASN A 65 -1.532 -8.629 8.069 1.00 0.00 O ATOM 950 ND2 ASN A 65 -1.144 -9.438 10.127 1.00 0.00 N ATOM 0 H ASN A 65 -3.030 -6.243 9.911 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.756 -7.785 7.672 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.411 -8.332 10.634 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.929 -9.601 9.541 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.164 -9.626 9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.519 -9.655 11.050 1.00 0.00 H new ATOM 957 N PRO A 66 -6.120 -8.733 8.050 1.00 0.00 N ATOM 958 CA PRO A 66 -7.562 -8.998 8.033 1.00 0.00 C ATOM 959 C PRO A 66 -8.056 -9.602 9.343 1.00 0.00 C ATOM 960 O PRO A 66 -9.245 -9.881 9.500 1.00 0.00 O ATOM 961 CB PRO A 66 -7.724 -10.001 6.888 1.00 0.00 C ATOM 962 CG PRO A 66 -6.400 -10.676 6.785 1.00 0.00 C ATOM 963 CD PRO A 66 -5.377 -9.640 7.160 1.00 0.00 C ATOM 0 HA PRO A 66 -8.143 -8.085 7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.518 -10.717 7.099 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.986 -9.499 5.956 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.347 -11.536 7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.228 -11.046 5.774 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.520 -10.086 7.665 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.994 -9.118 6.283 1.00 0.00 H new ATOM 971 N SER A 67 -7.136 -9.800 10.282 1.00 0.00 N ATOM 972 CA SER A 67 -7.479 -10.373 11.578 1.00 0.00 C ATOM 973 C SER A 67 -7.453 -9.306 12.669 1.00 0.00 C ATOM 974 O SER A 67 -8.121 -9.434 13.694 1.00 0.00 O ATOM 975 CB SER A 67 -6.510 -11.503 11.932 1.00 0.00 C ATOM 976 OG SER A 67 -6.756 -12.652 11.140 1.00 0.00 O ATOM 0 H SER A 67 -6.148 -9.572 10.169 1.00 0.00 H new ATOM 0 HA SER A 67 -8.489 -10.776 11.513 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.484 -11.167 11.782 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.612 -11.756 12.987 1.00 0.00 H new ATOM 0 HG SER A 67 -6.123 -13.359 11.384 1.00 0.00 H new ATOM 982 N GLY A 68 -6.675 -8.252 12.438 1.00 0.00 N ATOM 983 CA GLY A 68 -6.575 -7.178 13.409 1.00 0.00 C ATOM 984 C GLY A 68 -5.138 -6.838 13.751 1.00 0.00 C ATOM 985 O GLY A 68 -4.846 -5.731 14.204 1.00 0.00 O ATOM 0 H GLY A 68 -6.113 -8.123 11.597 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.072 -6.290 13.017 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.104 -7.464 14.318 1.00 0.00 H new ATOM 989 N ALA A 69 -4.238 -7.792 13.535 1.00 0.00 N ATOM 990 CA ALA A 69 -2.824 -7.587 13.824 1.00 0.00 C ATOM 991 C ALA A 69 -2.207 -6.580 12.859 1.00 0.00 C ATOM 992 O ALA A 69 -2.820 -6.209 11.858 1.00 0.00 O ATOM 993 CB ALA A 69 -2.076 -8.910 13.759 1.00 0.00 C ATOM 0 H ALA A 69 -4.463 -8.714 13.161 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.739 -7.183 14.833 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.021 -8.743 13.977 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.493 -9.600 14.492 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.177 -9.337 12.761 1.00 0.00 H new ATOM 999 N SER A 70 -0.991 -6.141 13.168 1.00 0.00 N ATOM 1000 CA SER A 70 -0.293 -5.173 12.330 1.00 0.00 C ATOM 1001 C SER A 70 1.149 -5.607 12.085 1.00 0.00 C ATOM 1002 O SER A 70 1.880 -5.934 13.021 1.00 0.00 O ATOM 1003 CB SER A 70 -0.317 -3.790 12.983 1.00 0.00 C ATOM 1004 OG SER A 70 0.247 -3.830 14.283 1.00 0.00 O ATOM 0 H SER A 70 -0.469 -6.440 13.992 1.00 0.00 H new ATOM 0 HA SER A 70 -0.807 -5.123 11.370 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.236 -3.083 12.365 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.344 -3.429 13.040 1.00 0.00 H new ATOM 0 HG SER A 70 0.939 -4.523 14.318 1.00 0.00 H new ATOM 1010 N THR A 71 1.553 -5.608 10.818 1.00 0.00 N ATOM 1011 CA THR A 71 2.907 -6.003 10.448 1.00 0.00 C ATOM 1012 C THR A 71 3.856 -4.811 10.484 1.00 0.00 C ATOM 1013 O THR A 71 3.487 -3.701 10.102 1.00 0.00 O ATOM 1014 CB THR A 71 2.944 -6.633 9.043 1.00 0.00 C ATOM 1015 OG1 THR A 71 1.940 -7.648 8.934 1.00 0.00 O ATOM 1016 CG2 THR A 71 4.312 -7.231 8.754 1.00 0.00 C ATOM 0 H THR A 71 0.962 -5.340 10.031 1.00 0.00 H new ATOM 0 HA THR A 71 3.231 -6.744 11.179 1.00 0.00 H new ATOM 0 HB THR A 71 2.747 -5.849 8.312 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.969 -8.042 8.037 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.314 -7.670 7.756 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.070 -6.449 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.535 -8.003 9.490 1.00 0.00 H new ATOM 1024 N GLU A 72 5.081 -5.049 10.943 1.00 0.00 N ATOM 1025 CA GLU A 72 6.083 -3.993 11.028 1.00 0.00 C ATOM 1026 C GLU A 72 6.613 -3.634 9.643 1.00 0.00 C ATOM 1027 O GLU A 72 6.995 -4.511 8.866 1.00 0.00 O ATOM 1028 CB GLU A 72 7.238 -4.426 11.932 1.00 0.00 C ATOM 1029 CG GLU A 72 7.972 -3.265 12.582 1.00 0.00 C ATOM 1030 CD GLU A 72 8.973 -3.719 13.626 1.00 0.00 C ATOM 1031 OE1 GLU A 72 8.569 -4.443 14.559 1.00 0.00 O ATOM 1032 OE2 GLU A 72 10.161 -3.349 13.510 1.00 0.00 O ATOM 0 H GLU A 72 5.403 -5.963 11.261 1.00 0.00 H new ATOM 0 HA GLU A 72 5.608 -3.110 11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.851 -5.082 12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.947 -5.011 11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.489 -2.691 11.813 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.247 -2.596 13.046 1.00 0.00 H new ATOM 1039 N CYS A 73 6.634 -2.341 9.340 1.00 0.00 N ATOM 1040 CA CYS A 73 7.117 -1.865 8.049 1.00 0.00 C ATOM 1041 C CYS A 73 8.471 -1.178 8.193 1.00 0.00 C ATOM 1042 O CYS A 73 8.802 -0.653 9.257 1.00 0.00 O ATOM 1043 CB CYS A 73 6.106 -0.900 7.427 1.00 0.00 C ATOM 1044 SG CYS A 73 5.817 0.595 8.401 1.00 0.00 S ATOM 0 H CYS A 73 6.322 -1.603 9.971 1.00 0.00 H new ATOM 0 HA CYS A 73 7.236 -2.728 7.394 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.457 -0.613 6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.158 -1.421 7.291 1.00 0.00 H new ATOM 0 HG CYS A 73 4.555 0.904 8.358 1.00 0.00 H new ATOM 1050 N PHE A 74 9.251 -1.187 7.117 1.00 0.00 N ATOM 1051 CA PHE A 74 10.571 -0.567 7.125 1.00 0.00 C ATOM 1052 C PHE A 74 10.745 0.356 5.922 1.00 0.00 C ATOM 1053 O PHE A 74 10.863 -0.102 4.786 1.00 0.00 O ATOM 1054 CB PHE A 74 11.662 -1.640 7.121 1.00 0.00 C ATOM 1055 CG PHE A 74 11.289 -2.876 7.889 1.00 0.00 C ATOM 1056 CD1 PHE A 74 10.802 -2.783 9.183 1.00 0.00 C ATOM 1057 CD2 PHE A 74 11.426 -4.130 7.317 1.00 0.00 C ATOM 1058 CE1 PHE A 74 10.459 -3.919 9.891 1.00 0.00 C ATOM 1059 CE2 PHE A 74 11.085 -5.270 8.021 1.00 0.00 C ATOM 1060 CZ PHE A 74 10.600 -5.164 9.309 1.00 0.00 C ATOM 0 H PHE A 74 8.992 -1.617 6.229 1.00 0.00 H new ATOM 0 HA PHE A 74 10.660 0.028 8.034 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.886 -1.916 6.090 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.575 -1.221 7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 74 10.689 -1.812 9.643 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.804 -4.218 6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.081 -3.834 10.899 1.00 0.00 H new ATOM 0 HE2 PHE A 74 11.198 -6.242 7.564 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.331 -6.053 9.861 1.00 0.00 H new ATOM 1070 N VAL A 75 10.761 1.660 6.182 1.00 0.00 N ATOM 1071 CA VAL A 75 10.921 2.648 5.122 1.00 0.00 C ATOM 1072 C VAL A 75 12.385 2.791 4.721 1.00 0.00 C ATOM 1073 O VAL A 75 13.274 2.827 5.572 1.00 0.00 O ATOM 1074 CB VAL A 75 10.382 4.025 5.553 1.00 0.00 C ATOM 1075 CG1 VAL A 75 10.598 5.052 4.451 1.00 0.00 C ATOM 1076 CG2 VAL A 75 8.910 3.929 5.922 1.00 0.00 C ATOM 0 H VAL A 75 10.665 2.056 7.117 1.00 0.00 H new ATOM 0 HA VAL A 75 10.346 2.292 4.267 1.00 0.00 H new ATOM 0 HB VAL A 75 10.933 4.352 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.211 6.019 4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.664 5.140 4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.074 4.734 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.546 4.911 6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.341 3.580 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.787 3.227 6.747 1.00 0.00 H new ATOM 1086 N THR A 76 12.630 2.871 3.416 1.00 0.00 N ATOM 1087 CA THR A 76 13.986 3.009 2.901 1.00 0.00 C ATOM 1088 C THR A 76 14.053 4.067 1.805 1.00 0.00 C ATOM 1089 O THR A 76 13.598 3.842 0.683 1.00 0.00 O ATOM 1090 CB THR A 76 14.513 1.674 2.342 1.00 0.00 C ATOM 1091 OG1 THR A 76 14.524 0.681 3.374 1.00 0.00 O ATOM 1092 CG2 THR A 76 15.916 1.839 1.777 1.00 0.00 C ATOM 0 H THR A 76 11.907 2.843 2.697 1.00 0.00 H new ATOM 0 HA THR A 76 14.612 3.317 3.738 1.00 0.00 H new ATOM 0 HB THR A 76 13.849 1.356 1.538 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.859 -0.165 3.010 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.266 0.883 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.900 2.574 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.588 2.179 2.565 1.00 0.00 H new ATOM 1100 N ASP A 77 14.622 5.220 2.137 1.00 0.00 N ATOM 1101 CA ASP A 77 14.750 6.313 1.180 1.00 0.00 C ATOM 1102 C ASP A 77 15.973 6.115 0.289 1.00 0.00 C ATOM 1103 O ASP A 77 17.070 5.847 0.775 1.00 0.00 O ATOM 1104 CB ASP A 77 14.849 7.652 1.912 1.00 0.00 C ATOM 1105 CG ASP A 77 14.063 7.662 3.209 1.00 0.00 C ATOM 1106 OD1 ASP A 77 12.915 7.172 3.210 1.00 0.00 O ATOM 1107 OD2 ASP A 77 14.597 8.161 4.222 1.00 0.00 O ATOM 0 H ASP A 77 15.002 5.422 3.062 1.00 0.00 H new ATOM 0 HA ASP A 77 13.860 6.317 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.896 7.871 2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 77 14.482 8.446 1.262 1.00 0.00 H new ATOM 1112 N ASN A 78 15.774 6.248 -1.019 1.00 0.00 N ATOM 1113 CA ASN A 78 16.860 6.082 -1.978 1.00 0.00 C ATOM 1114 C ASN A 78 17.627 7.387 -2.162 1.00 0.00 C ATOM 1115 O ASN A 78 18.364 7.555 -3.134 1.00 0.00 O ATOM 1116 CB ASN A 78 16.311 5.606 -3.324 1.00 0.00 C ATOM 1117 CG ASN A 78 15.731 4.206 -3.250 1.00 0.00 C ATOM 1118 OD1 ASN A 78 16.458 3.216 -3.337 1.00 0.00 O ATOM 1119 ND2 ASN A 78 14.416 4.118 -3.088 1.00 0.00 N ATOM 0 H ASN A 78 14.871 6.470 -1.438 1.00 0.00 H new ATOM 0 HA ASN A 78 17.546 5.330 -1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.541 6.298 -3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.109 5.627 -4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.969 3.203 -3.031 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.853 4.966 -3.021 1.00 0.00 H new ATOM 1126 N ALA A 79 17.450 8.310 -1.221 1.00 0.00 N ATOM 1127 CA ALA A 79 18.127 9.599 -1.278 1.00 0.00 C ATOM 1128 C ALA A 79 18.161 10.139 -2.704 1.00 0.00 C ATOM 1129 O ALA A 79 19.099 10.835 -3.092 1.00 0.00 O ATOM 1130 CB ALA A 79 19.539 9.478 -0.724 1.00 0.00 C ATOM 0 H ALA A 79 16.843 8.188 -0.410 1.00 0.00 H new ATOM 0 HA ALA A 79 17.566 10.304 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 79 20.033 10.448 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.496 9.144 0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 79 20.101 8.755 -1.315 1.00 0.00 H new ATOM 1136 N ASP A 80 17.132 9.814 -3.479 1.00 0.00 N ATOM 1137 CA ASP A 80 17.043 10.268 -4.862 1.00 0.00 C ATOM 1138 C ASP A 80 15.730 11.004 -5.110 1.00 0.00 C ATOM 1139 O ASP A 80 15.638 11.846 -6.001 1.00 0.00 O ATOM 1140 CB ASP A 80 17.165 9.081 -5.819 1.00 0.00 C ATOM 1141 CG ASP A 80 17.391 9.515 -7.254 1.00 0.00 C ATOM 1142 OD1 ASP A 80 18.467 10.080 -7.541 1.00 0.00 O ATOM 1143 OD2 ASP A 80 16.492 9.288 -8.090 1.00 0.00 O ATOM 0 H ASP A 80 16.348 9.238 -3.173 1.00 0.00 H new ATOM 0 HA ASP A 80 17.866 10.959 -5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.991 8.445 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.258 8.478 -5.763 1.00 0.00 H new ATOM 1148 N GLY A 81 14.716 10.678 -4.314 1.00 0.00 N ATOM 1149 CA GLY A 81 13.421 11.316 -4.464 1.00 0.00 C ATOM 1150 C GLY A 81 12.271 10.366 -4.195 1.00 0.00 C ATOM 1151 O GLY A 81 11.164 10.795 -3.867 1.00 0.00 O ATOM 0 H GLY A 81 14.768 9.984 -3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.356 12.163 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.331 11.714 -5.475 1.00 0.00 H new ATOM 1155 N THR A 82 12.532 9.070 -4.335 1.00 0.00 N ATOM 1156 CA THR A 82 11.510 8.056 -4.108 1.00 0.00 C ATOM 1157 C THR A 82 11.743 7.326 -2.790 1.00 0.00 C ATOM 1158 O THR A 82 12.820 7.416 -2.201 1.00 0.00 O ATOM 1159 CB THR A 82 11.476 7.026 -5.253 1.00 0.00 C ATOM 1160 OG1 THR A 82 12.765 6.423 -5.408 1.00 0.00 O ATOM 1161 CG2 THR A 82 11.057 7.684 -6.560 1.00 0.00 C ATOM 0 H THR A 82 13.443 8.698 -4.605 1.00 0.00 H new ATOM 0 HA THR A 82 10.553 8.576 -4.068 1.00 0.00 H new ATOM 0 HB THR A 82 10.745 6.258 -5.000 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.734 5.768 -6.137 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.040 6.938 -7.354 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.063 8.116 -6.447 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.768 8.470 -6.816 1.00 0.00 H new ATOM 1169 N TYR A 83 10.727 6.602 -2.333 1.00 0.00 N ATOM 1170 CA TYR A 83 10.821 5.857 -1.083 1.00 0.00 C ATOM 1171 C TYR A 83 10.607 4.366 -1.320 1.00 0.00 C ATOM 1172 O TYR A 83 9.888 3.969 -2.238 1.00 0.00 O ATOM 1173 CB TYR A 83 9.794 6.378 -0.076 1.00 0.00 C ATOM 1174 CG TYR A 83 9.832 7.878 0.107 1.00 0.00 C ATOM 1175 CD1 TYR A 83 9.175 8.723 -0.780 1.00 0.00 C ATOM 1176 CD2 TYR A 83 10.525 8.451 1.166 1.00 0.00 C ATOM 1177 CE1 TYR A 83 9.208 10.094 -0.617 1.00 0.00 C ATOM 1178 CE2 TYR A 83 10.562 9.822 1.337 1.00 0.00 C ATOM 1179 CZ TYR A 83 9.902 10.639 0.443 1.00 0.00 C ATOM 1180 OH TYR A 83 9.938 12.004 0.610 1.00 0.00 O ATOM 0 H TYR A 83 9.829 6.515 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 83 11.823 6.001 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.796 6.086 -0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.967 5.898 0.887 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.630 8.300 -1.611 1.00 0.00 H new ATOM 0 HD2 TYR A 83 11.044 7.814 1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.693 10.736 -1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 83 11.105 10.251 2.166 1.00 0.00 H new ATOM 0 HH TYR A 83 10.749 12.252 1.101 1.00 0.00 H new ATOM 1190 N GLN A 84 11.235 3.544 -0.485 1.00 0.00 N ATOM 1191 CA GLN A 84 11.114 2.096 -0.604 1.00 0.00 C ATOM 1192 C GLN A 84 10.811 1.462 0.750 1.00 0.00 C ATOM 1193 O GLN A 84 11.653 1.462 1.649 1.00 0.00 O ATOM 1194 CB GLN A 84 12.398 1.501 -1.183 1.00 0.00 C ATOM 1195 CG GLN A 84 12.297 0.015 -1.488 1.00 0.00 C ATOM 1196 CD GLN A 84 11.812 -0.259 -2.898 1.00 0.00 C ATOM 1197 OE1 GLN A 84 10.805 -1.116 -3.022 1.00 0.00 O flip ATOM 1198 NE2 GLN A 84 12.337 0.292 -3.866 1.00 0.00 N flip ATOM 0 H GLN A 84 11.832 3.856 0.281 1.00 0.00 H new ATOM 0 HA GLN A 84 10.286 1.880 -1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.655 2.034 -2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.214 1.664 -0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.274 -0.448 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.617 -0.453 -0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.109 0.944 -3.725 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.000 0.096 -4.809 1.00 0.00 H new ATOM 1207 N VAL A 85 9.604 0.924 0.890 1.00 0.00 N ATOM 1208 CA VAL A 85 9.191 0.286 2.135 1.00 0.00 C ATOM 1209 C VAL A 85 9.160 -1.231 1.991 1.00 0.00 C ATOM 1210 O VAL A 85 8.544 -1.764 1.069 1.00 0.00 O ATOM 1211 CB VAL A 85 7.801 0.777 2.582 1.00 0.00 C ATOM 1212 CG1 VAL A 85 7.374 0.075 3.862 1.00 0.00 C ATOM 1213 CG2 VAL A 85 7.804 2.287 2.768 1.00 0.00 C ATOM 0 H VAL A 85 8.895 0.917 0.157 1.00 0.00 H new ATOM 0 HA VAL A 85 9.926 0.561 2.891 1.00 0.00 H new ATOM 0 HB VAL A 85 7.080 0.531 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.390 0.434 4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.331 -1.000 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.095 0.288 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.814 2.617 3.084 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.537 2.559 3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.063 2.769 1.825 1.00 0.00 H new ATOM 1223 N GLU A 86 9.829 -1.921 2.910 1.00 0.00 N ATOM 1224 CA GLU A 86 9.878 -3.378 2.885 1.00 0.00 C ATOM 1225 C GLU A 86 9.227 -3.966 4.133 1.00 0.00 C ATOM 1226 O GLU A 86 9.461 -3.497 5.248 1.00 0.00 O ATOM 1227 CB GLU A 86 11.326 -3.860 2.776 1.00 0.00 C ATOM 1228 CG GLU A 86 11.465 -5.373 2.770 1.00 0.00 C ATOM 1229 CD GLU A 86 12.850 -5.833 3.183 1.00 0.00 C ATOM 1230 OE1 GLU A 86 13.782 -5.723 2.361 1.00 0.00 O ATOM 1231 OE2 GLU A 86 13.000 -6.303 4.331 1.00 0.00 O ATOM 0 H GLU A 86 10.344 -1.495 3.680 1.00 0.00 H new ATOM 0 HA GLU A 86 9.322 -3.720 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.766 -3.460 1.862 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.899 -3.454 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.726 -5.805 3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.243 -5.751 1.772 1.00 0.00 H new ATOM 1238 N TYR A 87 8.410 -4.995 3.939 1.00 0.00 N ATOM 1239 CA TYR A 87 7.722 -5.645 5.048 1.00 0.00 C ATOM 1240 C TYR A 87 7.451 -7.114 4.735 1.00 0.00 C ATOM 1241 O TYR A 87 7.396 -7.514 3.571 1.00 0.00 O ATOM 1242 CB TYR A 87 6.407 -4.926 5.352 1.00 0.00 C ATOM 1243 CG TYR A 87 5.337 -5.154 4.309 1.00 0.00 C ATOM 1244 CD1 TYR A 87 4.457 -6.225 4.410 1.00 0.00 C ATOM 1245 CD2 TYR A 87 5.205 -4.298 3.223 1.00 0.00 C ATOM 1246 CE1 TYR A 87 3.478 -6.437 3.459 1.00 0.00 C ATOM 1247 CE2 TYR A 87 4.228 -4.502 2.267 1.00 0.00 C ATOM 1248 CZ TYR A 87 3.367 -5.573 2.389 1.00 0.00 C ATOM 1249 OH TYR A 87 2.392 -5.780 1.440 1.00 0.00 O ATOM 0 H TYR A 87 8.208 -5.397 3.024 1.00 0.00 H new ATOM 0 HA TYR A 87 8.368 -5.592 5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 87 6.035 -5.260 6.321 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.599 -3.856 5.436 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.540 -6.903 5.246 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.877 -3.459 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 87 2.803 -7.275 3.552 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.139 -3.827 1.429 1.00 0.00 H new ATOM 0 HH TYR A 87 2.525 -5.159 0.693 1.00 0.00 H new ATOM 1259 N THR A 88 7.283 -7.914 5.782 1.00 0.00 N ATOM 1260 CA THR A 88 7.018 -9.338 5.622 1.00 0.00 C ATOM 1261 C THR A 88 5.752 -9.750 6.365 1.00 0.00 C ATOM 1262 O THR A 88 5.753 -9.945 7.581 1.00 0.00 O ATOM 1263 CB THR A 88 8.197 -10.190 6.129 1.00 0.00 C ATOM 1264 OG1 THR A 88 9.433 -9.651 5.647 1.00 0.00 O ATOM 1265 CG2 THR A 88 8.057 -11.635 5.674 1.00 0.00 C ATOM 0 H THR A 88 7.326 -7.600 6.751 1.00 0.00 H new ATOM 0 HA THR A 88 6.883 -9.515 4.555 1.00 0.00 H new ATOM 0 HB THR A 88 8.190 -10.167 7.219 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.178 -10.197 5.975 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.901 -12.216 6.044 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.129 -12.052 6.066 1.00 0.00 H new ATOM 0 HG23 THR A 88 8.040 -11.673 4.585 1.00 0.00 H new ATOM 1273 N PRO A 89 4.645 -9.886 5.620 1.00 0.00 N ATOM 1274 CA PRO A 89 3.352 -10.277 6.189 1.00 0.00 C ATOM 1275 C PRO A 89 3.337 -11.730 6.651 1.00 0.00 C ATOM 1276 O PRO A 89 3.688 -12.636 5.895 1.00 0.00 O ATOM 1277 CB PRO A 89 2.378 -10.076 5.025 1.00 0.00 C ATOM 1278 CG PRO A 89 3.217 -10.211 3.801 1.00 0.00 C ATOM 1279 CD PRO A 89 4.571 -9.669 4.166 1.00 0.00 C ATOM 0 HA PRO A 89 3.104 -9.695 7.076 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.581 -10.820 5.043 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.901 -9.097 5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.285 -11.253 3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.785 -9.655 2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.369 -10.194 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.663 -8.613 3.912 1.00 0.00 H new ATOM 1287 N PHE A 90 2.929 -11.945 7.897 1.00 0.00 N ATOM 1288 CA PHE A 90 2.869 -13.289 8.460 1.00 0.00 C ATOM 1289 C PHE A 90 1.462 -13.867 8.341 1.00 0.00 C ATOM 1290 O PHE A 90 1.133 -14.863 8.985 1.00 0.00 O ATOM 1291 CB PHE A 90 3.302 -13.270 9.928 1.00 0.00 C ATOM 1292 CG PHE A 90 2.825 -12.058 10.678 1.00 0.00 C ATOM 1293 CD1 PHE A 90 1.482 -11.899 10.980 1.00 0.00 C ATOM 1294 CD2 PHE A 90 3.719 -11.079 11.079 1.00 0.00 C ATOM 1295 CE1 PHE A 90 1.040 -10.786 11.670 1.00 0.00 C ATOM 1296 CE2 PHE A 90 3.282 -9.964 11.769 1.00 0.00 C ATOM 1297 CZ PHE A 90 1.941 -9.817 12.064 1.00 0.00 C ATOM 0 H PHE A 90 2.635 -11.206 8.536 1.00 0.00 H new ATOM 0 HA PHE A 90 3.552 -13.923 7.895 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.924 -14.165 10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.390 -13.314 9.978 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.773 -12.653 10.673 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.769 -11.188 10.850 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.009 -10.674 11.901 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.989 -9.208 12.077 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.598 -8.946 12.602 1.00 0.00 H new ATOM 1307 N GLU A 91 0.637 -13.234 7.513 1.00 0.00 N ATOM 1308 CA GLU A 91 -0.735 -13.684 7.311 1.00 0.00 C ATOM 1309 C GLU A 91 -1.139 -13.555 5.845 1.00 0.00 C ATOM 1310 O GLU A 91 -0.928 -12.515 5.220 1.00 0.00 O ATOM 1311 CB GLU A 91 -1.695 -12.878 8.189 1.00 0.00 C ATOM 1312 CG GLU A 91 -1.919 -13.487 9.563 1.00 0.00 C ATOM 1313 CD GLU A 91 -2.904 -14.639 9.536 1.00 0.00 C ATOM 1314 OE1 GLU A 91 -3.087 -15.238 8.456 1.00 0.00 O ATOM 1315 OE2 GLU A 91 -3.492 -14.943 10.596 1.00 0.00 O ATOM 0 H GLU A 91 0.895 -12.409 6.972 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.791 -14.735 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.304 -11.868 8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.654 -12.790 7.679 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.967 -13.837 9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.284 -12.717 10.243 1.00 0.00 H new ATOM 1322 N LYS A 92 -1.721 -14.619 5.302 1.00 0.00 N ATOM 1323 CA LYS A 92 -2.156 -14.627 3.910 1.00 0.00 C ATOM 1324 C LYS A 92 -3.564 -14.055 3.777 1.00 0.00 C ATOM 1325 O LYS A 92 -4.552 -14.774 3.918 1.00 0.00 O ATOM 1326 CB LYS A 92 -2.118 -16.050 3.350 1.00 0.00 C ATOM 1327 CG LYS A 92 -2.606 -17.103 4.330 1.00 0.00 C ATOM 1328 CD LYS A 92 -2.747 -18.462 3.665 1.00 0.00 C ATOM 1329 CE LYS A 92 -2.875 -19.575 4.693 1.00 0.00 C ATOM 1330 NZ LYS A 92 -3.174 -20.887 4.056 1.00 0.00 N ATOM 0 H LYS A 92 -1.902 -15.488 5.805 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.472 -14.000 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.730 -16.093 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.096 -16.288 3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.908 -17.176 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.567 -16.798 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.623 -18.462 3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.881 -18.649 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.949 -19.651 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.666 -19.326 5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.789 -21.445 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.656 -20.730 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.286 -21.404 3.892 1.00 0.00 H new ATOM 1344 N GLY A 93 -3.647 -12.756 3.504 1.00 0.00 N ATOM 1345 CA GLY A 93 -4.939 -12.111 3.355 1.00 0.00 C ATOM 1346 C GLY A 93 -4.818 -10.675 2.883 1.00 0.00 C ATOM 1347 O GLY A 93 -3.724 -10.209 2.562 1.00 0.00 O ATOM 0 H GLY A 93 -2.843 -12.139 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.543 -12.674 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.465 -12.134 4.309 1.00 0.00 H new ATOM 1351 N LEU A 94 -5.945 -9.973 2.837 1.00 0.00 N ATOM 1352 CA LEU A 94 -5.962 -8.582 2.398 1.00 0.00 C ATOM 1353 C LEU A 94 -5.742 -7.637 3.575 1.00 0.00 C ATOM 1354 O LEU A 94 -6.527 -7.616 4.524 1.00 0.00 O ATOM 1355 CB LEU A 94 -7.291 -8.259 1.713 1.00 0.00 C ATOM 1356 CG LEU A 94 -7.619 -6.775 1.550 1.00 0.00 C ATOM 1357 CD1 LEU A 94 -6.690 -6.131 0.533 1.00 0.00 C ATOM 1358 CD2 LEU A 94 -9.073 -6.592 1.138 1.00 0.00 C ATOM 0 H LEU A 94 -6.859 -10.344 3.098 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.149 -8.442 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.289 -8.721 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.094 -8.727 2.283 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.470 -6.282 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.939 -5.075 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.658 -6.230 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.806 -6.626 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.289 -5.529 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.249 -7.099 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.724 -7.016 1.903 1.00 0.00 H new ATOM 1370 N HIS A 95 -4.669 -6.855 3.507 1.00 0.00 N ATOM 1371 CA HIS A 95 -4.346 -5.905 4.566 1.00 0.00 C ATOM 1372 C HIS A 95 -4.627 -4.475 4.116 1.00 0.00 C ATOM 1373 O HIS A 95 -4.689 -4.190 2.920 1.00 0.00 O ATOM 1374 CB HIS A 95 -2.880 -6.045 4.975 1.00 0.00 C ATOM 1375 CG HIS A 95 -2.316 -7.410 4.728 1.00 0.00 C ATOM 1376 ND1 HIS A 95 -2.970 -8.570 5.085 1.00 0.00 N ATOM 1377 CD2 HIS A 95 -1.153 -7.797 4.154 1.00 0.00 C ATOM 1378 CE1 HIS A 95 -2.233 -9.612 4.743 1.00 0.00 C ATOM 1379 NE2 HIS A 95 -1.125 -9.170 4.176 1.00 0.00 N ATOM 0 H HIS A 95 -4.009 -6.860 2.730 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.978 -6.127 5.426 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.287 -5.312 4.428 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.783 -5.807 6.034 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.389 -7.147 3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.492 -10.649 4.900 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.371 -9.754 3.813 1.00 0.00 H new ATOM 1387 N VAL A 96 -4.797 -3.578 5.083 1.00 0.00 N ATOM 1388 CA VAL A 96 -5.071 -2.177 4.787 1.00 0.00 C ATOM 1389 C VAL A 96 -3.892 -1.293 5.175 1.00 0.00 C ATOM 1390 O VAL A 96 -3.691 -0.987 6.350 1.00 0.00 O ATOM 1391 CB VAL A 96 -6.332 -1.685 5.522 1.00 0.00 C ATOM 1392 CG1 VAL A 96 -6.559 -0.204 5.260 1.00 0.00 C ATOM 1393 CG2 VAL A 96 -7.546 -2.500 5.103 1.00 0.00 C ATOM 0 H VAL A 96 -4.750 -3.797 6.078 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.235 -2.106 3.712 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.183 -1.822 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.454 0.126 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.699 0.364 5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.687 -0.039 4.190 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.427 -2.138 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.700 -2.397 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.382 -3.550 5.347 1.00 0.00 H new ATOM 1403 N VAL A 97 -3.113 -0.883 4.178 1.00 0.00 N ATOM 1404 CA VAL A 97 -1.954 -0.032 4.414 1.00 0.00 C ATOM 1405 C VAL A 97 -2.323 1.443 4.301 1.00 0.00 C ATOM 1406 O VAL A 97 -2.810 1.893 3.264 1.00 0.00 O ATOM 1407 CB VAL A 97 -0.818 -0.343 3.421 1.00 0.00 C ATOM 1408 CG1 VAL A 97 0.367 0.582 3.658 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -0.398 -1.800 3.533 1.00 0.00 C ATOM 0 H VAL A 97 -3.265 -1.127 3.199 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.609 -0.241 5.427 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.186 -0.171 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.160 0.347 2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.053 1.617 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.738 0.445 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.405 -2.003 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.048 -2.001 4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.250 -2.442 3.309 1.00 0.00 H new ATOM 1419 N GLU A 98 -2.087 2.191 5.375 1.00 0.00 N ATOM 1420 CA GLU A 98 -2.395 3.616 5.395 1.00 0.00 C ATOM 1421 C GLU A 98 -1.127 4.449 5.233 1.00 0.00 C ATOM 1422 O GLU A 98 -0.213 4.376 6.054 1.00 0.00 O ATOM 1423 CB GLU A 98 -3.100 3.989 6.701 1.00 0.00 C ATOM 1424 CG GLU A 98 -4.571 3.610 6.729 1.00 0.00 C ATOM 1425 CD GLU A 98 -5.090 3.388 8.136 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -4.507 2.553 8.858 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -6.080 4.049 8.515 1.00 0.00 O ATOM 0 H GLU A 98 -1.684 1.834 6.241 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.059 3.830 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.591 3.499 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.007 5.063 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.154 4.397 6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.720 2.703 6.144 1.00 0.00 H new ATOM 1434 N VAL A 99 -1.080 5.242 4.166 1.00 0.00 N ATOM 1435 CA VAL A 99 0.075 6.090 3.895 1.00 0.00 C ATOM 1436 C VAL A 99 -0.252 7.558 4.142 1.00 0.00 C ATOM 1437 O VAL A 99 -1.356 8.019 3.847 1.00 0.00 O ATOM 1438 CB VAL A 99 0.567 5.921 2.445 1.00 0.00 C ATOM 1439 CG1 VAL A 99 1.828 6.738 2.211 1.00 0.00 C ATOM 1440 CG2 VAL A 99 0.807 4.452 2.132 1.00 0.00 C ATOM 0 H VAL A 99 -1.828 5.314 3.476 1.00 0.00 H new ATOM 0 HA VAL A 99 0.865 5.777 4.577 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.206 6.290 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.161 6.606 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.618 7.792 2.392 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.611 6.402 2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.154 4.351 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.562 4.054 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.123 3.897 2.257 1.00 0.00 H new ATOM 1450 N THR A 100 0.715 8.291 4.685 1.00 0.00 N ATOM 1451 CA THR A 100 0.531 9.708 4.972 1.00 0.00 C ATOM 1452 C THR A 100 1.813 10.492 4.716 1.00 0.00 C ATOM 1453 O THR A 100 2.878 10.142 5.226 1.00 0.00 O ATOM 1454 CB THR A 100 0.087 9.932 6.430 1.00 0.00 C ATOM 1455 OG1 THR A 100 0.922 9.180 7.317 1.00 0.00 O ATOM 1456 CG2 THR A 100 -1.365 9.523 6.623 1.00 0.00 C ATOM 0 H THR A 100 1.634 7.926 4.935 1.00 0.00 H new ATOM 0 HA THR A 100 -0.250 10.068 4.303 1.00 0.00 H new ATOM 0 HB THR A 100 0.181 10.994 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.817 9.092 6.928 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.655 9.690 7.660 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.001 10.118 5.968 1.00 0.00 H new ATOM 0 HG23 THR A 100 -1.481 8.467 6.380 1.00 0.00 H new ATOM 1464 N TYR A 101 1.703 11.554 3.926 1.00 0.00 N ATOM 1465 CA TYR A 101 2.855 12.387 3.601 1.00 0.00 C ATOM 1466 C TYR A 101 2.683 13.796 4.161 1.00 0.00 C ATOM 1467 O TYR A 101 1.855 14.570 3.679 1.00 0.00 O ATOM 1468 CB TYR A 101 3.056 12.449 2.086 1.00 0.00 C ATOM 1469 CG TYR A 101 4.428 12.935 1.677 1.00 0.00 C ATOM 1470 CD1 TYR A 101 4.911 14.161 2.115 1.00 0.00 C ATOM 1471 CD2 TYR A 101 5.240 12.168 0.851 1.00 0.00 C ATOM 1472 CE1 TYR A 101 6.164 14.610 1.743 1.00 0.00 C ATOM 1473 CE2 TYR A 101 6.495 12.608 0.475 1.00 0.00 C ATOM 1474 CZ TYR A 101 6.952 13.829 0.923 1.00 0.00 C ATOM 1475 OH TYR A 101 8.200 14.271 0.550 1.00 0.00 O ATOM 0 H TYR A 101 0.828 11.858 3.499 1.00 0.00 H new ATOM 0 HA TYR A 101 3.736 11.938 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.891 11.457 1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.303 13.108 1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.297 14.774 2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.885 11.212 0.497 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.524 15.566 2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.114 11.999 -0.166 1.00 0.00 H new ATOM 0 HH TYR A 101 8.836 13.526 0.590 1.00 0.00 H new ATOM 1485 N ASP A 102 3.471 14.122 5.179 1.00 0.00 N ATOM 1486 CA ASP A 102 3.408 15.438 5.804 1.00 0.00 C ATOM 1487 C ASP A 102 2.019 15.702 6.377 1.00 0.00 C ATOM 1488 O ASP A 102 1.394 16.718 6.072 1.00 0.00 O ATOM 1489 CB ASP A 102 3.772 16.525 4.792 1.00 0.00 C ATOM 1490 CG ASP A 102 5.241 16.500 4.418 1.00 0.00 C ATOM 1491 OD1 ASP A 102 5.874 15.434 4.566 1.00 0.00 O ATOM 1492 OD2 ASP A 102 5.758 17.548 3.977 1.00 0.00 O ATOM 0 H ASP A 102 4.161 13.493 5.589 1.00 0.00 H new ATOM 0 HA ASP A 102 4.128 15.459 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.169 16.397 3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.522 17.502 5.207 1.00 0.00 H new ATOM 1497 N ASP A 103 1.542 14.781 7.206 1.00 0.00 N ATOM 1498 CA ASP A 103 0.226 14.914 7.821 1.00 0.00 C ATOM 1499 C ASP A 103 -0.862 15.028 6.758 1.00 0.00 C ATOM 1500 O ASP A 103 -1.840 15.755 6.931 1.00 0.00 O ATOM 1501 CB ASP A 103 0.190 16.138 8.739 1.00 0.00 C ATOM 1502 CG ASP A 103 0.928 15.905 10.043 1.00 0.00 C ATOM 1503 OD1 ASP A 103 2.001 15.267 10.012 1.00 0.00 O ATOM 1504 OD2 ASP A 103 0.432 16.363 11.094 1.00 0.00 O ATOM 0 H ASP A 103 2.046 13.934 7.468 1.00 0.00 H new ATOM 0 HA ASP A 103 0.037 14.019 8.414 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.632 16.990 8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.847 16.398 8.953 1.00 0.00 H new ATOM 1509 N VAL A 104 -0.684 14.305 5.657 1.00 0.00 N ATOM 1510 CA VAL A 104 -1.650 14.324 4.565 1.00 0.00 C ATOM 1511 C VAL A 104 -1.637 13.008 3.797 1.00 0.00 C ATOM 1512 O VAL A 104 -0.677 12.676 3.101 1.00 0.00 O ATOM 1513 CB VAL A 104 -1.369 15.480 3.587 1.00 0.00 C ATOM 1514 CG1 VAL A 104 -2.381 15.478 2.452 1.00 0.00 C ATOM 1515 CG2 VAL A 104 -1.381 16.813 4.320 1.00 0.00 C ATOM 0 H VAL A 104 0.121 13.699 5.498 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.633 14.469 5.014 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.377 15.336 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.166 16.302 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.318 14.534 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.385 15.597 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.181 17.619 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.358 16.967 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.613 16.810 5.094 1.00 0.00 H new ATOM 1525 N PRO A 105 -2.728 12.238 3.923 1.00 0.00 N ATOM 1526 CA PRO A 105 -2.868 10.945 3.246 1.00 0.00 C ATOM 1527 C PRO A 105 -3.028 11.095 1.737 1.00 0.00 C ATOM 1528 O PRO A 105 -3.641 12.051 1.261 1.00 0.00 O ATOM 1529 CB PRO A 105 -4.139 10.357 3.863 1.00 0.00 C ATOM 1530 CG PRO A 105 -4.922 11.541 4.317 1.00 0.00 C ATOM 1531 CD PRO A 105 -3.910 12.571 4.736 1.00 0.00 C ATOM 0 HA PRO A 105 -1.985 10.319 3.377 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.697 9.769 3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.905 9.694 4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.556 11.920 3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.579 11.280 5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.262 13.584 4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.694 12.511 5.803 1.00 0.00 H new ATOM 1539 N ILE A 106 -2.475 10.145 0.991 1.00 0.00 N ATOM 1540 CA ILE A 106 -2.559 10.172 -0.464 1.00 0.00 C ATOM 1541 C ILE A 106 -3.940 9.738 -0.943 1.00 0.00 C ATOM 1542 O ILE A 106 -4.692 9.075 -0.229 1.00 0.00 O ATOM 1543 CB ILE A 106 -1.496 9.261 -1.106 1.00 0.00 C ATOM 1544 CG1 ILE A 106 -1.308 7.992 -0.270 1.00 0.00 C ATOM 1545 CG2 ILE A 106 -0.177 10.006 -1.251 1.00 0.00 C ATOM 1546 CD1 ILE A 106 -0.610 6.876 -1.015 1.00 0.00 C ATOM 0 H ILE A 106 -1.964 9.347 1.370 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.377 11.202 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.839 8.972 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.733 8.237 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.283 7.640 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.564 9.349 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.322 10.882 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 106 0.173 10.321 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.511 6.009 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.195 6.604 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.379 7.210 -1.327 1.00 0.00 H new ATOM 1558 N PRO A 107 -4.283 10.120 -2.182 1.00 0.00 N ATOM 1559 CA PRO A 107 -5.575 9.780 -2.786 1.00 0.00 C ATOM 1560 C PRO A 107 -5.692 8.294 -3.106 1.00 0.00 C ATOM 1561 O PRO A 107 -6.676 7.852 -3.698 1.00 0.00 O ATOM 1562 CB PRO A 107 -5.593 10.607 -4.074 1.00 0.00 C ATOM 1563 CG PRO A 107 -4.157 10.823 -4.406 1.00 0.00 C ATOM 1564 CD PRO A 107 -3.436 10.913 -3.090 1.00 0.00 C ATOM 0 HA PRO A 107 -6.407 9.993 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.110 10.080 -4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.113 11.554 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.768 10.002 -5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.024 11.736 -4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.427 10.506 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.342 11.945 -2.753 1.00 0.00 H new ATOM 1572 N ASN A 108 -4.681 7.527 -2.711 1.00 0.00 N ATOM 1573 CA ASN A 108 -4.671 6.089 -2.956 1.00 0.00 C ATOM 1574 C ASN A 108 -4.885 5.315 -1.659 1.00 0.00 C ATOM 1575 O ASN A 108 -5.225 4.132 -1.680 1.00 0.00 O ATOM 1576 CB ASN A 108 -3.348 5.670 -3.601 1.00 0.00 C ATOM 1577 CG ASN A 108 -3.161 6.271 -4.980 1.00 0.00 C ATOM 1578 OD1 ASN A 108 -3.224 7.595 -5.062 1.00 0.00 O flip ATOM 1579 ND2 ASN A 108 -2.963 5.554 -5.961 1.00 0.00 N flip ATOM 0 H ASN A 108 -3.858 7.877 -2.220 1.00 0.00 H new ATOM 0 HA ASN A 108 -5.490 5.856 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.521 5.976 -2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.310 4.583 -3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -2.922 4.541 -5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -2.840 5.973 -6.883 1.00 0.00 H new ATOM 1586 N SER A 109 -4.685 5.991 -0.533 1.00 0.00 N ATOM 1587 CA SER A 109 -4.853 5.366 0.774 1.00 0.00 C ATOM 1588 C SER A 109 -6.285 5.529 1.274 1.00 0.00 C ATOM 1589 O SER A 109 -6.961 6.517 0.987 1.00 0.00 O ATOM 1590 CB SER A 109 -3.876 5.973 1.783 1.00 0.00 C ATOM 1591 OG SER A 109 -4.254 5.658 3.112 1.00 0.00 O ATOM 0 H SER A 109 -4.406 6.972 -0.499 1.00 0.00 H new ATOM 0 HA SER A 109 -4.642 4.302 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.870 5.600 1.590 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.844 7.055 1.657 1.00 0.00 H new ATOM 0 HG SER A 109 -3.713 6.182 3.739 1.00 0.00 H new ATOM 1597 N PRO A 110 -6.760 4.537 2.042 1.00 0.00 N ATOM 1598 CA PRO A 110 -5.964 3.356 2.390 1.00 0.00 C ATOM 1599 C PRO A 110 -5.723 2.445 1.192 1.00 0.00 C ATOM 1600 O PRO A 110 -6.457 2.494 0.204 1.00 0.00 O ATOM 1601 CB PRO A 110 -6.825 2.645 3.438 1.00 0.00 C ATOM 1602 CG PRO A 110 -8.218 3.083 3.143 1.00 0.00 C ATOM 1603 CD PRO A 110 -8.110 4.492 2.628 1.00 0.00 C ATOM 0 HA PRO A 110 -4.970 3.625 2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.726 1.562 3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.528 2.923 4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.683 2.432 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.838 3.041 4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.878 4.709 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.225 5.223 3.429 1.00 0.00 H new ATOM 1611 N PHE A 111 -4.691 1.614 1.284 1.00 0.00 N ATOM 1612 CA PHE A 111 -4.353 0.691 0.206 1.00 0.00 C ATOM 1613 C PHE A 111 -4.938 -0.693 0.471 1.00 0.00 C ATOM 1614 O PHE A 111 -5.399 -0.984 1.575 1.00 0.00 O ATOM 1615 CB PHE A 111 -2.834 0.594 0.047 1.00 0.00 C ATOM 1616 CG PHE A 111 -2.240 1.727 -0.739 1.00 0.00 C ATOM 1617 CD1 PHE A 111 -2.494 1.855 -2.095 1.00 0.00 C ATOM 1618 CD2 PHE A 111 -1.426 2.664 -0.122 1.00 0.00 C ATOM 1619 CE1 PHE A 111 -1.949 2.897 -2.822 1.00 0.00 C ATOM 1620 CE2 PHE A 111 -0.879 3.708 -0.844 1.00 0.00 C ATOM 1621 CZ PHE A 111 -1.139 3.824 -2.195 1.00 0.00 C ATOM 0 H PHE A 111 -4.074 1.560 2.094 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.784 1.077 -0.718 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.374 0.568 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.588 -0.347 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.125 1.132 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.217 2.577 0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.156 2.986 -3.878 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.248 4.433 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.710 4.638 -2.761 1.00 0.00 H new ATOM 1631 N LYS A 112 -4.916 -1.543 -0.549 1.00 0.00 N ATOM 1632 CA LYS A 112 -5.442 -2.897 -0.429 1.00 0.00 C ATOM 1633 C LYS A 112 -4.473 -3.913 -1.024 1.00 0.00 C ATOM 1634 O LYS A 112 -4.347 -4.026 -2.243 1.00 0.00 O ATOM 1635 CB LYS A 112 -6.800 -3.003 -1.127 1.00 0.00 C ATOM 1636 CG LYS A 112 -7.974 -2.650 -0.231 1.00 0.00 C ATOM 1637 CD LYS A 112 -9.188 -2.227 -1.042 1.00 0.00 C ATOM 1638 CE LYS A 112 -10.304 -1.711 -0.146 1.00 0.00 C ATOM 1639 NZ LYS A 112 -11.194 -2.809 0.319 1.00 0.00 N ATOM 0 H LYS A 112 -4.539 -1.318 -1.470 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.567 -3.118 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.805 -2.344 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.930 -4.020 -1.498 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.231 -3.509 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.688 -1.844 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.901 -1.451 -1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.550 -3.073 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.872 -1.204 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.893 -0.971 -0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.941 -2.416 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.626 -3.277 -0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.637 -3.502 0.859 1.00 0.00 H new ATOM 1653 N VAL A 113 -3.789 -4.652 -0.155 1.00 0.00 N ATOM 1654 CA VAL A 113 -2.833 -5.660 -0.595 1.00 0.00 C ATOM 1655 C VAL A 113 -3.360 -7.067 -0.338 1.00 0.00 C ATOM 1656 O VAL A 113 -3.367 -7.540 0.798 1.00 0.00 O ATOM 1657 CB VAL A 113 -1.476 -5.494 0.115 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.513 -6.593 -0.310 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.890 -4.120 -0.172 1.00 0.00 C ATOM 0 H VAL A 113 -3.880 -4.571 0.858 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.694 -5.518 -1.667 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.635 -5.579 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.440 -6.459 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.932 -7.565 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.357 -6.543 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.068 -4.020 0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.744 -4.004 -1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.574 -3.351 0.187 1.00 0.00 H new ATOM 1669 N ALA A 114 -3.801 -7.732 -1.401 1.00 0.00 N ATOM 1670 CA ALA A 114 -4.328 -9.086 -1.290 1.00 0.00 C ATOM 1671 C ALA A 114 -3.224 -10.122 -1.472 1.00 0.00 C ATOM 1672 O ALA A 114 -2.744 -10.344 -2.584 1.00 0.00 O ATOM 1673 CB ALA A 114 -5.434 -9.307 -2.311 1.00 0.00 C ATOM 0 H ALA A 114 -3.804 -7.355 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.742 -9.207 -0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.819 -10.323 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.241 -8.596 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.036 -9.161 -3.315 1.00 0.00 H new ATOM 1679 N VAL A 115 -2.823 -10.753 -0.373 1.00 0.00 N ATOM 1680 CA VAL A 115 -1.775 -11.765 -0.411 1.00 0.00 C ATOM 1681 C VAL A 115 -2.326 -13.109 -0.876 1.00 0.00 C ATOM 1682 O VAL A 115 -3.478 -13.449 -0.604 1.00 0.00 O ATOM 1683 CB VAL A 115 -1.115 -11.943 0.969 1.00 0.00 C ATOM 1684 CG1 VAL A 115 -0.030 -13.007 0.909 1.00 0.00 C ATOM 1685 CG2 VAL A 115 -0.549 -10.620 1.462 1.00 0.00 C ATOM 0 H VAL A 115 -3.209 -10.581 0.555 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.025 -11.417 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.875 -12.274 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.425 -13.119 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.468 -13.957 0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.732 -12.709 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.086 -10.763 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.198 -10.258 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.353 -9.889 1.546 1.00 0.00 H new ATOM 1695 N THR A 116 -1.494 -13.872 -1.579 1.00 0.00 N ATOM 1696 CA THR A 116 -1.898 -15.179 -2.082 1.00 0.00 C ATOM 1697 C THR A 116 -0.912 -16.261 -1.656 1.00 0.00 C ATOM 1698 O THR A 116 0.294 -16.024 -1.595 1.00 0.00 O ATOM 1699 CB THR A 116 -2.009 -15.179 -3.619 1.00 0.00 C ATOM 1700 OG1 THR A 116 -2.436 -16.466 -4.079 1.00 0.00 O ATOM 1701 CG2 THR A 116 -0.675 -14.824 -4.258 1.00 0.00 C ATOM 0 H THR A 116 -0.537 -13.607 -1.813 1.00 0.00 H new ATOM 0 HA THR A 116 -2.877 -15.394 -1.653 1.00 0.00 H new ATOM 0 HB THR A 116 -2.744 -14.428 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.506 -16.457 -5.056 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.778 -14.830 -5.343 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.366 -13.832 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.077 -15.555 -3.961 1.00 0.00 H new ATOM 1709 N GLU A 117 -1.433 -17.448 -1.362 1.00 0.00 N ATOM 1710 CA GLU A 117 -0.597 -18.565 -0.941 1.00 0.00 C ATOM 1711 C GLU A 117 0.460 -18.882 -1.995 1.00 0.00 C ATOM 1712 O GLU A 117 0.141 -19.348 -3.088 1.00 0.00 O ATOM 1713 CB GLU A 117 -1.456 -19.803 -0.676 1.00 0.00 C ATOM 1714 CG GLU A 117 -2.006 -19.872 0.738 1.00 0.00 C ATOM 1715 CD GLU A 117 -1.043 -20.530 1.708 1.00 0.00 C ATOM 1716 OE1 GLU A 117 -0.126 -19.836 2.194 1.00 0.00 O ATOM 1717 OE2 GLU A 117 -1.206 -21.737 1.979 1.00 0.00 O ATOM 0 H GLU A 117 -2.430 -17.660 -1.408 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.091 -18.279 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -2.287 -19.815 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.861 -20.696 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.233 -18.864 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.945 -20.426 0.732 1.00 0.00 H new ATOM 1724 N GLY A 118 1.720 -18.625 -1.658 1.00 0.00 N ATOM 1725 CA GLY A 118 2.805 -18.887 -2.586 1.00 0.00 C ATOM 1726 C GLY A 118 3.811 -19.878 -2.035 1.00 0.00 C ATOM 1727 O GLY A 118 3.742 -21.072 -2.330 1.00 0.00 O ATOM 0 H GLY A 118 2.009 -18.240 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.395 -19.271 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.312 -17.951 -2.821 1.00 0.00 H new ATOM 1731 N CYS A 119 4.750 -19.383 -1.236 1.00 0.00 N ATOM 1732 CA CYS A 119 5.777 -20.233 -0.645 1.00 0.00 C ATOM 1733 C CYS A 119 6.565 -20.965 -1.726 1.00 0.00 C ATOM 1734 O CYS A 119 6.995 -22.102 -1.531 1.00 0.00 O ATOM 1735 CB CYS A 119 5.144 -21.242 0.314 1.00 0.00 C ATOM 1736 SG CYS A 119 4.409 -20.497 1.789 1.00 0.00 S ATOM 0 H CYS A 119 4.821 -18.398 -0.983 1.00 0.00 H new ATOM 0 HA CYS A 119 6.465 -19.596 -0.088 1.00 0.00 H new ATOM 0 HB2 CYS A 119 4.375 -21.801 -0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 119 5.904 -21.960 0.623 1.00 0.00 H new ATOM 0 HG CYS A 119 3.898 -21.429 2.537 1.00 0.00 H new ATOM 1742 N GLN A 120 6.748 -20.307 -2.866 1.00 0.00 N ATOM 1743 CA GLN A 120 7.482 -20.898 -3.980 1.00 0.00 C ATOM 1744 C GLN A 120 8.812 -21.477 -3.508 1.00 0.00 C ATOM 1745 O GLN A 120 9.442 -20.973 -2.579 1.00 0.00 O ATOM 1746 CB GLN A 120 7.725 -19.852 -5.070 1.00 0.00 C ATOM 1747 CG GLN A 120 6.484 -19.523 -5.884 1.00 0.00 C ATOM 1748 CD GLN A 120 6.704 -18.367 -6.840 1.00 0.00 C ATOM 1749 OE1 GLN A 120 7.790 -18.204 -7.395 1.00 0.00 O ATOM 1750 NE2 GLN A 120 5.670 -17.557 -7.037 1.00 0.00 N ATOM 0 H GLN A 120 6.399 -19.365 -3.043 1.00 0.00 H new ATOM 0 HA GLN A 120 6.879 -21.708 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 120 8.099 -18.938 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 120 8.505 -20.213 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 120 6.180 -20.404 -6.449 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.664 -19.280 -5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.788 -17.730 -6.556 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.758 -16.762 -7.670 1.00 0.00 H new ATOM 1759 N PRO A 121 9.250 -22.562 -4.164 1.00 0.00 N ATOM 1760 CA PRO A 121 10.509 -23.234 -3.829 1.00 0.00 C ATOM 1761 C PRO A 121 11.729 -22.397 -4.200 1.00 0.00 C ATOM 1762 O PRO A 121 12.128 -22.345 -5.363 1.00 0.00 O ATOM 1763 CB PRO A 121 10.463 -24.513 -4.669 1.00 0.00 C ATOM 1764 CG PRO A 121 9.573 -24.181 -5.816 1.00 0.00 C ATOM 1765 CD PRO A 121 8.550 -23.217 -5.282 1.00 0.00 C ATOM 0 HA PRO A 121 10.602 -23.414 -2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 121 11.458 -24.799 -5.010 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.071 -25.351 -4.093 1.00 0.00 H new ATOM 0 HG2 PRO A 121 10.140 -23.735 -6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 121 9.095 -25.077 -6.211 1.00 0.00 H new ATOM 0 HD2 PRO A 121 8.242 -22.497 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.650 -23.732 -4.946 1.00 0.00 H new ATOM 1773 N SER A 122 12.317 -21.743 -3.203 1.00 0.00 N ATOM 1774 CA SER A 122 13.490 -20.905 -3.426 1.00 0.00 C ATOM 1775 C SER A 122 14.546 -21.154 -2.354 1.00 0.00 C ATOM 1776 O SER A 122 14.225 -21.518 -1.222 1.00 0.00 O ATOM 1777 CB SER A 122 13.093 -19.428 -3.434 1.00 0.00 C ATOM 1778 OG SER A 122 14.113 -18.629 -4.009 1.00 0.00 O ATOM 0 H SER A 122 12.001 -21.777 -2.234 1.00 0.00 H new ATOM 0 HA SER A 122 13.914 -21.165 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.167 -19.300 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.897 -19.095 -2.415 1.00 0.00 H new ATOM 0 HG SER A 122 13.834 -17.689 -4.004 1.00 0.00 H new ATOM 1784 N SER A 123 15.809 -20.955 -2.719 1.00 0.00 N ATOM 1785 CA SER A 123 16.914 -21.161 -1.790 1.00 0.00 C ATOM 1786 C SER A 123 17.793 -19.917 -1.707 1.00 0.00 C ATOM 1787 O SER A 123 18.026 -19.240 -2.708 1.00 0.00 O ATOM 1788 CB SER A 123 17.754 -22.365 -2.223 1.00 0.00 C ATOM 1789 OG SER A 123 18.425 -22.943 -1.117 1.00 0.00 O ATOM 0 H SER A 123 16.092 -20.652 -3.651 1.00 0.00 H new ATOM 0 HA SER A 123 16.495 -21.355 -0.803 1.00 0.00 H new ATOM 0 HB2 SER A 123 17.112 -23.110 -2.693 1.00 0.00 H new ATOM 0 HB3 SER A 123 18.482 -22.054 -2.972 1.00 0.00 H new ATOM 0 HG SER A 123 18.953 -23.711 -1.420 1.00 0.00 H new ATOM 1795 N GLY A 124 18.279 -19.622 -0.505 1.00 0.00 N ATOM 1796 CA GLY A 124 19.126 -18.460 -0.312 1.00 0.00 C ATOM 1797 C GLY A 124 19.965 -18.556 0.947 1.00 0.00 C ATOM 1798 O GLY A 124 20.241 -19.644 1.453 1.00 0.00 O ATOM 0 H GLY A 124 18.101 -20.167 0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.783 -18.346 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.505 -17.566 -0.264 1.00 0.00 H new ATOM 1802 N PRO A 125 20.386 -17.396 1.472 1.00 0.00 N ATOM 1803 CA PRO A 125 21.206 -17.329 2.686 1.00 0.00 C ATOM 1804 C PRO A 125 20.425 -17.723 3.935 1.00 0.00 C ATOM 1805 O PRO A 125 19.198 -17.811 3.910 1.00 0.00 O ATOM 1806 CB PRO A 125 21.616 -15.855 2.755 1.00 0.00 C ATOM 1807 CG PRO A 125 20.548 -15.130 2.012 1.00 0.00 C ATOM 1808 CD PRO A 125 20.095 -16.062 0.922 1.00 0.00 C ATOM 0 HA PRO A 125 22.049 -18.019 2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 125 21.684 -15.511 3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 125 22.594 -15.694 2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 125 19.721 -14.871 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 125 20.927 -14.197 1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 125 19.034 -15.940 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 125 20.634 -15.884 -0.009 1.00 0.00 H new ATOM 1816 N SER A 126 21.145 -17.960 5.027 1.00 0.00 N ATOM 1817 CA SER A 126 20.520 -18.349 6.286 1.00 0.00 C ATOM 1818 C SER A 126 21.404 -17.973 7.471 1.00 0.00 C ATOM 1819 O SER A 126 22.481 -18.540 7.660 1.00 0.00 O ATOM 1820 CB SER A 126 20.243 -19.854 6.298 1.00 0.00 C ATOM 1821 OG SER A 126 18.984 -20.146 5.716 1.00 0.00 O ATOM 0 H SER A 126 22.162 -17.889 5.065 1.00 0.00 H new ATOM 0 HA SER A 126 19.576 -17.812 6.376 1.00 0.00 H new ATOM 0 HB2 SER A 126 21.029 -20.376 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 126 20.268 -20.223 7.323 1.00 0.00 H new ATOM 0 HG SER A 126 18.786 -19.488 5.017 1.00 0.00 H new ATOM 1827 N SER A 127 20.941 -17.013 8.265 1.00 0.00 N ATOM 1828 CA SER A 127 21.691 -16.558 9.430 1.00 0.00 C ATOM 1829 C SER A 127 23.035 -15.967 9.015 1.00 0.00 C ATOM 1830 O SER A 127 24.057 -16.210 9.654 1.00 0.00 O ATOM 1831 CB SER A 127 21.910 -17.715 10.406 1.00 0.00 C ATOM 1832 OG SER A 127 22.355 -17.243 11.666 1.00 0.00 O ATOM 0 H SER A 127 20.051 -16.536 8.123 1.00 0.00 H new ATOM 0 HA SER A 127 21.109 -15.780 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 127 20.981 -18.271 10.530 1.00 0.00 H new ATOM 0 HB3 SER A 127 22.643 -18.408 9.994 1.00 0.00 H new ATOM 0 HG SER A 127 23.197 -16.755 11.554 1.00 0.00 H new ATOM 1838 N GLY A 128 23.024 -15.188 7.937 1.00 0.00 N ATOM 1839 CA GLY A 128 24.246 -14.574 7.453 1.00 0.00 C ATOM 1840 C GLY A 128 24.059 -13.887 6.115 1.00 0.00 C ATOM 1841 O GLY A 128 25.001 -13.313 5.567 1.00 0.00 O ATOM 0 H GLY A 128 22.190 -14.972 7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 128 24.598 -13.847 8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 128 25.020 -15.336 7.362 1.00 0.00 H new TER 1845 GLY A 128