USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 872 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 85 LYS NZ :NH3+ 162:sc=-0.00116 (180deg=0) USER MOD Set 1.2: A 94 MET CE :methyl -119:sc= -0.135 (180deg=-0.525) USER MOD Set 2.1: A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.00622 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.55) USER MOD Single : A 26 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.012) USER MOD Single : A 27 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-1.2) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.9!) USER MOD Single : A 37 GLN : amide:sc= -0.495 K(o=-0.5,f=-1.5!) USER MOD Single : A 38 GLN : amide:sc= -3.31! C(o=-3.3!,f=-2.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= -0.824 (180deg=-2.5!) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 47 GLN : amide:sc= -0.0218 X(o=-0.022,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0434) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.073) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.4!) USER MOD Single : A 69 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.3!) USER MOD Single : A 72 GLN : amide:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 73 THR OG1 : rot -60:sc= 1.24 USER MOD Single : A 74 MET CE :methyl -117:sc= -2.83 (180deg=-5.96!) USER MOD Single : A 79 THR OG1 : rot 180:sc=-4.87e-05 USER MOD Single : A 81 SER OG : rot 180:sc= -0.231 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -107:sc= 1.12 USER MOD Single : A 95 CYS SG : rot 159:sc= 0.62 USER MOD Single : A 99 HIS : no HD1:sc= -2.01 X(o=-2,f=-2.2) USER MOD Single : A 101 SER OG : rot 180:sc= -0.349 USER MOD Single : A 102 LYS NZ :NH3+ 157:sc= -0.0842 (180deg=-0.502) USER MOD Single : A 103 LYS NZ :NH3+ 167:sc=-0.00208 (180deg=-0.0924) USER MOD Single : A 106 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00517) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 26:sc= 0.428 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.569 -12.257 0.081 1.00 0.00 N ATOM 2 CA GLY A 1 -44.227 -11.063 0.832 1.00 0.00 C ATOM 3 C GLY A 1 -42.743 -10.967 1.125 1.00 0.00 C ATOM 4 O GLY A 1 -42.096 -11.972 1.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -44.815 -11.995 -0.895 1.00 0.00 H new ATOM 0 H2 GLY A 1 -43.756 -12.906 0.071 1.00 0.00 H new ATOM 0 H3 GLY A 1 -45.382 -12.727 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -44.541 -10.183 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -44.781 -11.057 1.771 1.00 0.00 H new ATOM 8 N SER A 2 -42.202 -9.756 1.042 1.00 0.00 N ATOM 9 CA SER A 2 -40.783 -9.534 1.296 1.00 0.00 C ATOM 10 C SER A 2 -40.513 -8.069 1.624 1.00 0.00 C ATOM 11 O SER A 2 -41.277 -7.184 1.239 1.00 0.00 O ATOM 12 CB SER A 2 -39.954 -9.958 0.082 1.00 0.00 C ATOM 13 OG SER A 2 -38.606 -10.201 0.445 1.00 0.00 O ATOM 0 H SER A 2 -42.724 -8.914 0.801 1.00 0.00 H new ATOM 0 HA SER A 2 -40.493 -10.140 2.155 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.383 -10.858 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 -39.994 -9.179 -0.680 1.00 0.00 H new ATOM 0 HG SER A 2 -38.098 -10.472 -0.348 1.00 0.00 H new ATOM 19 N SER A 3 -39.419 -7.820 2.337 1.00 0.00 N ATOM 20 CA SER A 3 -39.048 -6.463 2.720 1.00 0.00 C ATOM 21 C SER A 3 -37.534 -6.279 2.672 1.00 0.00 C ATOM 22 O SER A 3 -36.776 -7.227 2.872 1.00 0.00 O ATOM 23 CB SER A 3 -39.567 -6.148 4.125 1.00 0.00 C ATOM 24 OG SER A 3 -39.126 -4.873 4.557 1.00 0.00 O ATOM 0 H SER A 3 -38.774 -8.541 2.661 1.00 0.00 H new ATOM 0 HA SER A 3 -39.503 -5.774 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.657 -6.180 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.223 -6.911 4.823 1.00 0.00 H new ATOM 0 HG SER A 3 -39.472 -4.695 5.456 1.00 0.00 H new ATOM 30 N GLY A 4 -37.102 -5.051 2.404 1.00 0.00 N ATOM 31 CA GLY A 4 -35.681 -4.763 2.333 1.00 0.00 C ATOM 32 C GLY A 4 -35.345 -3.374 2.836 1.00 0.00 C ATOM 33 O GLY A 4 -36.029 -2.405 2.508 1.00 0.00 O ATOM 0 H GLY A 4 -37.710 -4.250 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.134 -5.501 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.344 -4.864 1.301 1.00 0.00 H new ATOM 37 N SER A 5 -34.289 -3.275 3.638 1.00 0.00 N ATOM 38 CA SER A 5 -33.867 -1.995 4.192 1.00 0.00 C ATOM 39 C SER A 5 -32.391 -1.738 3.904 1.00 0.00 C ATOM 40 O SER A 5 -31.648 -2.653 3.551 1.00 0.00 O ATOM 41 CB SER A 5 -34.116 -1.961 5.702 1.00 0.00 C ATOM 42 OG SER A 5 -35.489 -1.753 5.987 1.00 0.00 O ATOM 0 H SER A 5 -33.710 -4.067 3.918 1.00 0.00 H new ATOM 0 HA SER A 5 -34.455 -1.210 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.786 -2.899 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.523 -1.166 6.154 1.00 0.00 H new ATOM 0 HG SER A 5 -35.623 -1.737 6.958 1.00 0.00 H new ATOM 48 N SER A 6 -31.974 -0.485 4.056 1.00 0.00 N ATOM 49 CA SER A 6 -30.588 -0.105 3.808 1.00 0.00 C ATOM 50 C SER A 6 -29.798 -0.053 5.112 1.00 0.00 C ATOM 51 O SER A 6 -28.868 -0.832 5.318 1.00 0.00 O ATOM 52 CB SER A 6 -30.528 1.254 3.108 1.00 0.00 C ATOM 53 OG SER A 6 -31.134 1.196 1.828 1.00 0.00 O ATOM 0 H SER A 6 -32.576 0.284 4.350 1.00 0.00 H new ATOM 0 HA SER A 6 -30.140 -0.859 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.032 2.004 3.719 1.00 0.00 H new ATOM 0 HB3 SER A 6 -29.489 1.570 3.008 1.00 0.00 H new ATOM 0 HG SER A 6 -31.084 2.077 1.402 1.00 0.00 H new ATOM 59 N GLY A 7 -30.175 0.871 5.990 1.00 0.00 N ATOM 60 CA GLY A 7 -29.492 1.008 7.263 1.00 0.00 C ATOM 61 C GLY A 7 -28.083 1.546 7.109 1.00 0.00 C ATOM 62 O GLY A 7 -27.109 0.794 7.072 1.00 0.00 O ATOM 0 H GLY A 7 -30.942 1.527 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -30.064 1.674 7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.455 0.038 7.759 1.00 0.00 H new ATOM 66 N PRO A 8 -27.961 2.878 7.016 1.00 0.00 N ATOM 67 CA PRO A 8 -26.664 3.546 6.863 1.00 0.00 C ATOM 68 C PRO A 8 -25.814 3.458 8.126 1.00 0.00 C ATOM 69 O PRO A 8 -26.216 2.846 9.116 1.00 0.00 O ATOM 70 CB PRO A 8 -27.046 5.000 6.574 1.00 0.00 C ATOM 71 CG PRO A 8 -28.392 5.167 7.190 1.00 0.00 C ATOM 72 CD PRO A 8 -29.078 3.836 7.053 1.00 0.00 C ATOM 0 HA PRO A 8 -26.058 3.087 6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -26.324 5.693 7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -27.074 5.197 5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -28.309 5.457 8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -28.957 5.951 6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -29.747 3.641 7.891 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -29.680 3.786 6.146 1.00 0.00 H new ATOM 80 N LYS A 9 -24.638 4.074 8.086 1.00 0.00 N ATOM 81 CA LYS A 9 -23.731 4.068 9.227 1.00 0.00 C ATOM 82 C LYS A 9 -22.841 5.306 9.222 1.00 0.00 C ATOM 83 O LYS A 9 -22.521 5.850 8.164 1.00 0.00 O ATOM 84 CB LYS A 9 -22.867 2.805 9.211 1.00 0.00 C ATOM 85 CG LYS A 9 -22.083 2.588 10.494 1.00 0.00 C ATOM 86 CD LYS A 9 -21.771 1.118 10.715 1.00 0.00 C ATOM 87 CE LYS A 9 -21.304 0.854 12.138 1.00 0.00 C ATOM 88 NZ LYS A 9 -22.448 0.632 13.065 1.00 0.00 N ATOM 0 H LYS A 9 -24.290 4.585 7.274 1.00 0.00 H new ATOM 0 HA LYS A 9 -24.332 4.079 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -23.506 1.940 9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -22.170 2.862 8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -21.154 3.156 10.454 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -22.654 2.971 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -22.659 0.521 10.506 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -21.000 0.799 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -20.652 -0.019 12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -20.711 1.699 12.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -22.088 0.456 14.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -23.057 1.475 13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -22.999 -0.190 12.745 1.00 0.00 H new ATOM 102 N THR A 10 -22.441 5.748 10.410 1.00 0.00 N ATOM 103 CA THR A 10 -21.587 6.921 10.542 1.00 0.00 C ATOM 104 C THR A 10 -21.083 7.077 11.972 1.00 0.00 C ATOM 105 O THR A 10 -21.753 6.677 12.924 1.00 0.00 O ATOM 106 CB THR A 10 -22.330 8.206 10.129 1.00 0.00 C ATOM 107 OG1 THR A 10 -21.529 9.354 10.431 1.00 0.00 O ATOM 108 CG2 THR A 10 -23.668 8.311 10.845 1.00 0.00 C ATOM 0 H THR A 10 -22.695 5.310 11.296 1.00 0.00 H new ATOM 0 HA THR A 10 -20.738 6.770 9.875 1.00 0.00 H new ATOM 0 HB THR A 10 -22.513 8.165 9.055 1.00 0.00 H new ATOM 0 HG1 THR A 10 -22.008 10.166 10.164 1.00 0.00 H new ATOM 0 HG21 THR A 10 -24.174 9.226 10.538 1.00 0.00 H new ATOM 0 HG22 THR A 10 -24.286 7.451 10.589 1.00 0.00 H new ATOM 0 HG23 THR A 10 -23.504 8.332 11.922 1.00 0.00 H new ATOM 116 N GLY A 11 -19.898 7.663 12.117 1.00 0.00 N ATOM 117 CA GLY A 11 -19.325 7.862 13.436 1.00 0.00 C ATOM 118 C GLY A 11 -18.270 8.950 13.451 1.00 0.00 C ATOM 119 O GLY A 11 -18.090 9.683 12.479 1.00 0.00 O ATOM 0 H GLY A 11 -19.325 8.003 11.345 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -20.118 8.119 14.138 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -18.884 6.927 13.782 1.00 0.00 H new ATOM 123 N PRO A 12 -17.552 9.067 14.578 1.00 0.00 N ATOM 124 CA PRO A 12 -16.498 10.072 14.744 1.00 0.00 C ATOM 125 C PRO A 12 -15.276 9.779 13.879 1.00 0.00 C ATOM 126 O PRO A 12 -15.302 8.887 13.031 1.00 0.00 O ATOM 127 CB PRO A 12 -16.139 9.968 16.228 1.00 0.00 C ATOM 128 CG PRO A 12 -16.514 8.578 16.612 1.00 0.00 C ATOM 129 CD PRO A 12 -17.713 8.227 15.776 1.00 0.00 C ATOM 0 HA PRO A 12 -16.830 11.065 14.440 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -15.077 10.151 16.392 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.685 10.703 16.820 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.692 7.886 16.426 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.748 8.516 17.675 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.730 7.167 15.524 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.645 8.446 16.298 1.00 0.00 H new ATOM 137 N THR A 13 -14.205 10.535 14.100 1.00 0.00 N ATOM 138 CA THR A 13 -12.974 10.357 13.341 1.00 0.00 C ATOM 139 C THR A 13 -12.623 8.880 13.201 1.00 0.00 C ATOM 140 O THR A 13 -12.835 8.093 14.123 1.00 0.00 O ATOM 141 CB THR A 13 -11.794 11.094 14.003 1.00 0.00 C ATOM 142 OG1 THR A 13 -10.617 10.955 13.199 1.00 0.00 O ATOM 143 CG2 THR A 13 -11.529 10.547 15.397 1.00 0.00 C ATOM 0 H THR A 13 -14.166 11.277 14.799 1.00 0.00 H new ATOM 0 HA THR A 13 -13.148 10.781 12.352 1.00 0.00 H new ATOM 0 HB THR A 13 -12.054 12.149 14.087 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.872 11.428 13.625 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.692 11.082 15.845 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.417 10.680 16.015 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.288 9.486 15.332 1.00 0.00 H new ATOM 151 N MET A 14 -12.085 8.512 12.043 1.00 0.00 N ATOM 152 CA MET A 14 -11.702 7.129 11.785 1.00 0.00 C ATOM 153 C MET A 14 -10.539 7.061 10.800 1.00 0.00 C ATOM 154 O MET A 14 -10.701 7.337 9.611 1.00 0.00 O ATOM 155 CB MET A 14 -12.895 6.341 11.238 1.00 0.00 C ATOM 156 CG MET A 14 -13.760 5.718 12.322 1.00 0.00 C ATOM 157 SD MET A 14 -13.002 4.258 13.061 1.00 0.00 S ATOM 158 CE MET A 14 -13.621 2.971 11.980 1.00 0.00 C ATOM 0 H MET A 14 -11.905 9.152 11.269 1.00 0.00 H new ATOM 0 HA MET A 14 -11.383 6.685 12.728 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.510 7.004 10.630 1.00 0.00 H new ATOM 0 HB3 MET A 14 -12.529 5.553 10.579 1.00 0.00 H new ATOM 0 HG2 MET A 14 -13.950 6.457 13.100 1.00 0.00 H new ATOM 0 HG3 MET A 14 -14.727 5.446 11.898 1.00 0.00 H new ATOM 0 HE1 MET A 14 -13.239 2.005 12.309 1.00 0.00 H new ATOM 0 HE2 MET A 14 -14.710 2.961 12.013 1.00 0.00 H new ATOM 0 HE3 MET A 14 -13.291 3.164 10.959 1.00 0.00 H new ATOM 168 N THR A 15 -9.365 6.693 11.303 1.00 0.00 N ATOM 169 CA THR A 15 -8.174 6.590 10.468 1.00 0.00 C ATOM 170 C THR A 15 -7.375 5.336 10.802 1.00 0.00 C ATOM 171 O THR A 15 -6.964 5.135 11.945 1.00 0.00 O ATOM 172 CB THR A 15 -7.266 7.824 10.631 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.965 9.005 10.222 1.00 0.00 O ATOM 174 CG2 THR A 15 -5.994 7.671 9.811 1.00 0.00 C ATOM 0 H THR A 15 -9.213 6.461 12.285 1.00 0.00 H new ATOM 0 HA THR A 15 -8.516 6.534 9.435 1.00 0.00 H new ATOM 0 HB THR A 15 -6.993 7.911 11.683 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.381 9.785 10.330 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.368 8.554 9.942 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.450 6.788 10.145 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.251 7.561 8.757 1.00 0.00 H new ATOM 182 N LYS A 16 -7.155 4.495 9.797 1.00 0.00 N ATOM 183 CA LYS A 16 -6.402 3.260 9.983 1.00 0.00 C ATOM 184 C LYS A 16 -4.912 3.493 9.757 1.00 0.00 C ATOM 185 O LYS A 16 -4.515 4.488 9.152 1.00 0.00 O ATOM 186 CB LYS A 16 -6.911 2.180 9.027 1.00 0.00 C ATOM 187 CG LYS A 16 -8.395 1.888 9.173 1.00 0.00 C ATOM 188 CD LYS A 16 -8.671 0.982 10.361 1.00 0.00 C ATOM 189 CE LYS A 16 -10.148 0.976 10.726 1.00 0.00 C ATOM 190 NZ LYS A 16 -10.542 -0.279 11.424 1.00 0.00 N ATOM 0 H LYS A 16 -7.488 4.646 8.845 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.548 2.925 11.010 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.710 2.490 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.350 1.261 9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.941 2.824 9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.766 1.418 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.348 -0.033 10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.085 1.315 11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.368 1.831 11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.746 1.092 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.555 -0.244 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.356 -1.094 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.990 -0.377 12.300 1.00 0.00 H new ATOM 204 N GLU A 17 -4.092 2.568 10.247 1.00 0.00 N ATOM 205 CA GLU A 17 -2.646 2.673 10.097 1.00 0.00 C ATOM 206 C GLU A 17 -2.039 1.326 9.715 1.00 0.00 C ATOM 207 O GLU A 17 -2.578 0.271 10.051 1.00 0.00 O ATOM 208 CB GLU A 17 -2.012 3.181 11.394 1.00 0.00 C ATOM 209 CG GLU A 17 -2.168 4.678 11.602 1.00 0.00 C ATOM 210 CD GLU A 17 -3.429 5.033 12.365 1.00 0.00 C ATOM 211 OE1 GLU A 17 -3.658 4.440 13.440 1.00 0.00 O ATOM 212 OE2 GLU A 17 -4.187 5.903 11.888 1.00 0.00 O ATOM 0 H GLU A 17 -4.405 1.738 10.751 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.440 3.384 9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.461 2.657 12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.951 2.932 11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.301 5.058 12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.182 5.176 10.633 1.00 0.00 H new ATOM 219 N LEU A 18 -0.913 1.370 9.010 1.00 0.00 N ATOM 220 CA LEU A 18 -0.232 0.154 8.581 1.00 0.00 C ATOM 221 C LEU A 18 1.251 0.418 8.336 1.00 0.00 C ATOM 222 O LEU A 18 1.615 1.262 7.518 1.00 0.00 O ATOM 223 CB LEU A 18 -0.880 -0.396 7.309 1.00 0.00 C ATOM 224 CG LEU A 18 -0.795 -1.910 7.113 1.00 0.00 C ATOM 225 CD1 LEU A 18 -1.940 -2.606 7.834 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.806 -2.257 5.632 1.00 0.00 C ATOM 0 H LEU A 18 -0.453 2.234 8.724 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.325 -0.585 9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.931 -0.108 7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.415 0.088 6.450 1.00 0.00 H new ATOM 0 HG LEU A 18 0.144 -2.261 7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.864 -3.683 7.684 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.887 -2.384 8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.890 -2.251 7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.745 -3.339 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.729 -1.893 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.048 -1.788 5.142 1.00 0.00 H new ATOM 238 N VAL A 19 2.102 -0.312 9.050 1.00 0.00 N ATOM 239 CA VAL A 19 3.545 -0.159 8.909 1.00 0.00 C ATOM 240 C VAL A 19 4.263 -1.483 9.143 1.00 0.00 C ATOM 241 O VAL A 19 4.178 -2.066 10.224 1.00 0.00 O ATOM 242 CB VAL A 19 4.097 0.892 9.890 1.00 0.00 C ATOM 243 CG1 VAL A 19 3.714 0.542 11.320 1.00 0.00 C ATOM 244 CG2 VAL A 19 5.607 1.011 9.748 1.00 0.00 C ATOM 0 H VAL A 19 1.817 -1.015 9.732 1.00 0.00 H new ATOM 0 HA VAL A 19 3.729 0.176 7.888 1.00 0.00 H new ATOM 0 HB VAL A 19 3.654 1.858 9.647 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.113 1.296 11.998 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.628 0.512 11.409 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.126 -0.433 11.579 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.981 1.758 10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.070 0.048 9.964 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.854 1.313 8.730 1.00 0.00 H new ATOM 254 N PHE A 20 4.972 -1.954 8.122 1.00 0.00 N ATOM 255 CA PHE A 20 5.706 -3.211 8.216 1.00 0.00 C ATOM 256 C PHE A 20 7.091 -3.080 7.588 1.00 0.00 C ATOM 257 O PHE A 20 7.493 -1.996 7.165 1.00 0.00 O ATOM 258 CB PHE A 20 4.926 -4.333 7.528 1.00 0.00 C ATOM 259 CG PHE A 20 4.287 -3.914 6.235 1.00 0.00 C ATOM 260 CD1 PHE A 20 3.068 -3.256 6.231 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.905 -4.179 5.024 1.00 0.00 C ATOM 262 CE1 PHE A 20 2.477 -2.870 5.043 1.00 0.00 C ATOM 263 CE2 PHE A 20 4.320 -3.795 3.832 1.00 0.00 C ATOM 264 CZ PHE A 20 3.104 -3.139 3.842 1.00 0.00 C ATOM 0 H PHE A 20 5.054 -1.484 7.220 1.00 0.00 H new ATOM 0 HA PHE A 20 5.826 -3.455 9.271 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.599 -5.169 7.337 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.153 -4.695 8.205 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.574 -3.042 7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.855 -4.692 5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.526 -2.359 5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.812 -4.007 2.895 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.645 -2.837 2.912 1.00 0.00 H new ATOM 274 N SER A 21 7.816 -4.192 7.533 1.00 0.00 N ATOM 275 CA SER A 21 9.158 -4.202 6.962 1.00 0.00 C ATOM 276 C SER A 21 9.122 -4.631 5.498 1.00 0.00 C ATOM 277 O SER A 21 8.429 -5.580 5.134 1.00 0.00 O ATOM 278 CB SER A 21 10.067 -5.141 7.757 1.00 0.00 C ATOM 279 OG SER A 21 11.413 -4.700 7.721 1.00 0.00 O ATOM 0 H SER A 21 7.497 -5.098 7.877 1.00 0.00 H new ATOM 0 HA SER A 21 9.557 -3.189 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.726 -5.193 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.000 -6.149 7.348 1.00 0.00 H new ATOM 0 HG SER A 21 11.973 -5.316 8.238 1.00 0.00 H new ATOM 285 N SER A 22 9.874 -3.922 4.662 1.00 0.00 N ATOM 286 CA SER A 22 9.927 -4.225 3.236 1.00 0.00 C ATOM 287 C SER A 22 10.225 -5.704 3.006 1.00 0.00 C ATOM 288 O SER A 22 9.984 -6.235 1.923 1.00 0.00 O ATOM 289 CB SER A 22 10.989 -3.366 2.549 1.00 0.00 C ATOM 290 OG SER A 22 11.253 -3.832 1.238 1.00 0.00 O ATOM 0 H SER A 22 10.455 -3.134 4.947 1.00 0.00 H new ATOM 0 HA SER A 22 8.952 -3.997 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.653 -2.330 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.908 -3.381 3.135 1.00 0.00 H new ATOM 0 HG SER A 22 11.934 -3.265 0.820 1.00 0.00 H new ATOM 296 N ASN A 23 10.752 -6.362 4.034 1.00 0.00 N ATOM 297 CA ASN A 23 11.085 -7.779 3.944 1.00 0.00 C ATOM 298 C ASN A 23 9.870 -8.644 4.267 1.00 0.00 C ATOM 299 O ASN A 23 10.006 -9.756 4.777 1.00 0.00 O ATOM 300 CB ASN A 23 12.232 -8.116 4.898 1.00 0.00 C ATOM 301 CG ASN A 23 12.769 -9.518 4.685 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.163 -9.882 3.577 1.00 0.00 O ATOM 303 ND2 ASN A 23 12.785 -10.313 5.749 1.00 0.00 N ATOM 0 H ASN A 23 10.957 -5.937 4.938 1.00 0.00 H new ATOM 0 HA ASN A 23 11.398 -7.989 2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.039 -7.396 4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.887 -8.015 5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.134 -11.268 5.667 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.448 -9.969 6.648 1.00 0.00 H new ATOM 310 N ILE A 24 8.685 -8.126 3.964 1.00 0.00 N ATOM 311 CA ILE A 24 7.447 -8.852 4.220 1.00 0.00 C ATOM 312 C ILE A 24 7.217 -9.934 3.171 1.00 0.00 C ATOM 313 O ILE A 24 6.770 -11.036 3.487 1.00 0.00 O ATOM 314 CB ILE A 24 6.232 -7.905 4.238 1.00 0.00 C ATOM 315 CG1 ILE A 24 4.933 -8.704 4.115 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.340 -6.883 3.116 1.00 0.00 C ATOM 317 CD1 ILE A 24 3.701 -7.917 4.505 1.00 0.00 C ATOM 0 H ILE A 24 8.556 -7.207 3.541 1.00 0.00 H new ATOM 0 HA ILE A 24 7.551 -9.316 5.201 1.00 0.00 H new ATOM 0 HB ILE A 24 6.220 -7.372 5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.824 -9.049 3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.001 -9.592 4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.474 -6.221 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.249 -6.296 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.374 -7.399 2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.817 -8.545 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.788 -7.595 5.543 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.608 -7.043 3.860 1.00 0.00 H new ATOM 329 N GLY A 25 7.529 -9.613 1.918 1.00 0.00 N ATOM 330 CA GLY A 25 7.352 -10.569 0.841 1.00 0.00 C ATOM 331 C GLY A 25 6.031 -10.391 0.119 1.00 0.00 C ATOM 332 O GLY A 25 5.137 -9.702 0.610 1.00 0.00 O ATOM 0 H GLY A 25 7.901 -8.708 1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.169 -10.464 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.409 -11.580 1.244 1.00 0.00 H new ATOM 336 N GLN A 26 5.909 -11.011 -1.050 1.00 0.00 N ATOM 337 CA GLN A 26 4.688 -10.915 -1.841 1.00 0.00 C ATOM 338 C GLN A 26 3.559 -11.715 -1.199 1.00 0.00 C ATOM 339 O GLN A 26 2.439 -11.223 -1.058 1.00 0.00 O ATOM 340 CB GLN A 26 4.938 -11.415 -3.265 1.00 0.00 C ATOM 341 CG GLN A 26 3.802 -11.104 -4.227 1.00 0.00 C ATOM 342 CD GLN A 26 3.768 -9.644 -4.636 1.00 0.00 C ATOM 343 OE1 GLN A 26 2.988 -8.856 -4.101 1.00 0.00 O ATOM 344 NE2 GLN A 26 4.615 -9.276 -5.589 1.00 0.00 N ATOM 0 H GLN A 26 6.640 -11.585 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 26 4.390 -9.867 -1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.856 -10.966 -3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.097 -12.493 -3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.904 -11.725 -5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.853 -11.369 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.244 -9.963 -6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.637 -8.307 -5.905 1.00 0.00 H new ATOM 353 N HIS A 27 3.861 -12.950 -0.812 1.00 0.00 N ATOM 354 CA HIS A 27 2.871 -13.818 -0.185 1.00 0.00 C ATOM 355 C HIS A 27 2.246 -13.140 1.031 1.00 0.00 C ATOM 356 O HIS A 27 1.040 -13.239 1.258 1.00 0.00 O ATOM 357 CB HIS A 27 3.512 -15.143 0.228 1.00 0.00 C ATOM 358 CG HIS A 27 2.581 -16.055 0.967 1.00 0.00 C ATOM 359 ND1 HIS A 27 2.259 -15.885 2.297 1.00 0.00 N ATOM 360 CD2 HIS A 27 1.900 -17.149 0.553 1.00 0.00 C ATOM 361 CE1 HIS A 27 1.421 -16.836 2.670 1.00 0.00 C ATOM 362 NE2 HIS A 27 1.187 -17.616 1.630 1.00 0.00 N ATOM 0 H HIS A 27 4.783 -13.372 -0.922 1.00 0.00 H new ATOM 0 HA HIS A 27 2.084 -14.015 -0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.877 -15.654 -0.663 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.380 -14.937 0.855 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.915 -17.575 -0.439 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.999 -16.955 3.657 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.576 -18.433 1.627 1.00 0.00 H new ATOM 371 N ASP A 28 3.075 -12.454 1.810 1.00 0.00 N ATOM 372 CA ASP A 28 2.605 -11.759 3.003 1.00 0.00 C ATOM 373 C ASP A 28 1.982 -10.415 2.639 1.00 0.00 C ATOM 374 O ASP A 28 0.886 -10.083 3.092 1.00 0.00 O ATOM 375 CB ASP A 28 3.757 -11.552 3.986 1.00 0.00 C ATOM 376 CG ASP A 28 4.277 -12.859 4.552 1.00 0.00 C ATOM 377 OD1 ASP A 28 4.576 -13.773 3.755 1.00 0.00 O ATOM 378 OD2 ASP A 28 4.386 -12.968 5.792 1.00 0.00 O ATOM 0 H ASP A 28 4.076 -12.364 1.637 1.00 0.00 H new ATOM 0 HA ASP A 28 1.841 -12.377 3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.570 -11.028 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.423 -10.913 4.803 1.00 0.00 H new ATOM 383 N LEU A 29 2.688 -9.644 1.819 1.00 0.00 N ATOM 384 CA LEU A 29 2.206 -8.335 1.394 1.00 0.00 C ATOM 385 C LEU A 29 0.810 -8.439 0.788 1.00 0.00 C ATOM 386 O LEU A 29 0.003 -7.517 0.901 1.00 0.00 O ATOM 387 CB LEU A 29 3.171 -7.718 0.380 1.00 0.00 C ATOM 388 CG LEU A 29 2.733 -6.392 -0.242 1.00 0.00 C ATOM 389 CD1 LEU A 29 2.616 -5.315 0.825 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.709 -5.965 -1.329 1.00 0.00 C ATOM 0 H LEU A 29 3.597 -9.903 1.435 1.00 0.00 H new ATOM 0 HA LEU A 29 2.153 -7.692 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.133 -7.566 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.332 -8.437 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 29 1.752 -6.532 -0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.303 -4.378 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.878 -5.618 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.583 -5.176 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.382 -5.019 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.703 -5.843 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.743 -6.727 -2.108 1.00 0.00 H new ATOM 402 N ASP A 30 0.533 -9.568 0.145 1.00 0.00 N ATOM 403 CA ASP A 30 -0.766 -9.795 -0.477 1.00 0.00 C ATOM 404 C ASP A 30 -1.897 -9.494 0.502 1.00 0.00 C ATOM 405 O ASP A 30 -2.898 -8.875 0.141 1.00 0.00 O ATOM 406 CB ASP A 30 -0.874 -11.238 -0.972 1.00 0.00 C ATOM 407 CG ASP A 30 -2.013 -11.430 -1.954 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.136 -10.609 -2.888 1.00 0.00 O ATOM 409 OD2 ASP A 30 -2.780 -12.401 -1.790 1.00 0.00 O ATOM 0 H ASP A 30 1.191 -10.340 0.041 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.856 -9.120 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.064 -11.527 -1.447 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.018 -11.902 -0.119 1.00 0.00 H new ATOM 414 N THR A 31 -1.732 -9.939 1.744 1.00 0.00 N ATOM 415 CA THR A 31 -2.739 -9.720 2.775 1.00 0.00 C ATOM 416 C THR A 31 -2.867 -8.239 3.112 1.00 0.00 C ATOM 417 O THR A 31 -3.971 -7.698 3.168 1.00 0.00 O ATOM 418 CB THR A 31 -2.406 -10.501 4.060 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.235 -11.890 3.759 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.508 -10.333 5.095 1.00 0.00 C ATOM 0 H THR A 31 -0.910 -10.453 2.060 1.00 0.00 H new ATOM 0 HA THR A 31 -3.686 -10.082 2.374 1.00 0.00 H new ATOM 0 HB THR A 31 -1.479 -10.103 4.471 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.022 -12.379 4.581 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.251 -10.893 5.994 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.616 -9.277 5.344 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.448 -10.708 4.690 1.00 0.00 H new ATOM 428 N LYS A 32 -1.731 -7.587 3.336 1.00 0.00 N ATOM 429 CA LYS A 32 -1.715 -6.167 3.666 1.00 0.00 C ATOM 430 C LYS A 32 -2.513 -5.362 2.646 1.00 0.00 C ATOM 431 O LYS A 32 -3.255 -4.448 3.005 1.00 0.00 O ATOM 432 CB LYS A 32 -0.275 -5.652 3.724 1.00 0.00 C ATOM 433 CG LYS A 32 0.616 -6.444 4.665 1.00 0.00 C ATOM 434 CD LYS A 32 0.521 -5.928 6.091 1.00 0.00 C ATOM 435 CE LYS A 32 1.172 -6.886 7.076 1.00 0.00 C ATOM 436 NZ LYS A 32 0.222 -7.933 7.542 1.00 0.00 N ATOM 0 H LYS A 32 -0.808 -8.020 3.295 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.179 -6.042 4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.153 -5.680 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.284 -4.608 4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.331 -7.496 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.650 -6.385 4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.003 -4.952 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.526 -5.786 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.033 -7.361 6.606 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.545 -6.327 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.704 -8.566 8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.588 -7.482 8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.115 -8.484 6.727 1.00 0.00 H new ATOM 450 N SER A 33 -2.358 -5.710 1.372 1.00 0.00 N ATOM 451 CA SER A 33 -3.063 -5.018 0.299 1.00 0.00 C ATOM 452 C SER A 33 -4.573 -5.097 0.502 1.00 0.00 C ATOM 453 O SER A 33 -5.313 -4.201 0.096 1.00 0.00 O ATOM 454 CB SER A 33 -2.686 -5.618 -1.057 1.00 0.00 C ATOM 455 OG SER A 33 -1.280 -5.733 -1.191 1.00 0.00 O ATOM 0 H SER A 33 -1.751 -6.467 1.058 1.00 0.00 H new ATOM 0 HA SER A 33 -2.766 -3.969 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.146 -6.600 -1.164 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.081 -4.992 -1.857 1.00 0.00 H new ATOM 0 HG SER A 33 -1.065 -6.121 -2.065 1.00 0.00 H new ATOM 461 N LYS A 34 -5.023 -6.176 1.133 1.00 0.00 N ATOM 462 CA LYS A 34 -6.444 -6.374 1.392 1.00 0.00 C ATOM 463 C LYS A 34 -6.930 -5.445 2.500 1.00 0.00 C ATOM 464 O LYS A 34 -7.875 -4.680 2.309 1.00 0.00 O ATOM 465 CB LYS A 34 -6.715 -7.830 1.779 1.00 0.00 C ATOM 466 CG LYS A 34 -6.495 -8.812 0.641 1.00 0.00 C ATOM 467 CD LYS A 34 -6.621 -10.251 1.114 1.00 0.00 C ATOM 468 CE LYS A 34 -6.155 -11.231 0.048 1.00 0.00 C ATOM 469 NZ LYS A 34 -6.688 -12.601 0.283 1.00 0.00 N ATOM 0 H LYS A 34 -4.424 -6.927 1.475 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.990 -6.139 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.068 -8.102 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.743 -7.919 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.221 -8.623 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.506 -8.655 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.032 -10.390 2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.659 -10.460 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.475 -10.880 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.066 -11.262 0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.348 -13.239 -0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.362 -12.947 1.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.728 -12.576 0.270 1.00 0.00 H new ATOM 483 N GLN A 35 -6.276 -5.515 3.655 1.00 0.00 N ATOM 484 CA GLN A 35 -6.643 -4.679 4.792 1.00 0.00 C ATOM 485 C GLN A 35 -6.686 -3.207 4.393 1.00 0.00 C ATOM 486 O GLN A 35 -7.412 -2.413 4.992 1.00 0.00 O ATOM 487 CB GLN A 35 -5.652 -4.880 5.940 1.00 0.00 C ATOM 488 CG GLN A 35 -6.260 -4.654 7.314 1.00 0.00 C ATOM 489 CD GLN A 35 -6.945 -5.891 7.860 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.665 -7.010 7.430 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.849 -5.695 8.813 1.00 0.00 N ATOM 0 H GLN A 35 -5.490 -6.142 3.828 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.638 -4.976 5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.252 -5.893 5.891 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.812 -4.199 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.478 -4.341 8.006 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.981 -3.839 7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.049 -4.750 9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.343 -6.490 9.219 1.00 0.00 H new ATOM 500 N ILE A 36 -5.904 -2.851 3.379 1.00 0.00 N ATOM 501 CA ILE A 36 -5.854 -1.475 2.901 1.00 0.00 C ATOM 502 C ILE A 36 -7.004 -1.184 1.942 1.00 0.00 C ATOM 503 O ILE A 36 -7.671 -0.157 2.052 1.00 0.00 O ATOM 504 CB ILE A 36 -4.521 -1.173 2.193 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.347 -1.405 3.147 1.00 0.00 C ATOM 506 CG2 ILE A 36 -4.510 0.255 1.669 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.003 -1.439 2.455 1.00 0.00 C ATOM 0 H ILE A 36 -5.297 -3.496 2.873 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.944 -0.833 3.777 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.416 -1.851 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.339 -0.616 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.499 -2.347 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.561 0.453 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.327 0.388 0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.635 0.949 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.218 -1.607 3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.991 -2.246 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.829 -0.488 1.951 1.00 0.00 H new ATOM 519 N GLN A 37 -7.229 -2.098 1.003 1.00 0.00 N ATOM 520 CA GLN A 37 -8.298 -1.940 0.025 1.00 0.00 C ATOM 521 C GLN A 37 -9.656 -1.851 0.713 1.00 0.00 C ATOM 522 O GLN A 37 -10.494 -1.026 0.349 1.00 0.00 O ATOM 523 CB GLN A 37 -8.290 -3.106 -0.965 1.00 0.00 C ATOM 524 CG GLN A 37 -9.107 -2.845 -2.220 1.00 0.00 C ATOM 525 CD GLN A 37 -9.418 -4.114 -2.988 1.00 0.00 C ATOM 526 OE1 GLN A 37 -9.467 -5.204 -2.417 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.630 -3.980 -4.292 1.00 0.00 N ATOM 0 H GLN A 37 -6.685 -2.955 0.899 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.124 -1.011 -0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.260 -3.322 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.677 -3.996 -0.468 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.040 -2.353 -1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.562 -2.157 -2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.580 -3.058 -4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.843 -4.799 -4.861 1.00 0.00 H new ATOM 536 N GLN A 38 -9.867 -2.707 1.708 1.00 0.00 N ATOM 537 CA GLN A 38 -11.124 -2.725 2.446 1.00 0.00 C ATOM 538 C GLN A 38 -11.421 -1.357 3.050 1.00 0.00 C ATOM 539 O GLN A 38 -12.523 -0.829 2.904 1.00 0.00 O ATOM 540 CB GLN A 38 -11.077 -3.784 3.549 1.00 0.00 C ATOM 541 CG GLN A 38 -9.951 -3.572 4.548 1.00 0.00 C ATOM 542 CD GLN A 38 -9.901 -4.653 5.610 1.00 0.00 C ATOM 543 OE1 GLN A 38 -10.047 -4.376 6.801 1.00 0.00 O ATOM 544 NE2 GLN A 38 -9.693 -5.893 5.183 1.00 0.00 N ATOM 0 H GLN A 38 -9.184 -3.397 2.021 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.923 -2.974 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.028 -3.785 4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.966 -4.768 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.000 -3.546 4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.075 -2.601 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.577 -6.077 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.649 -6.662 5.852 1.00 0.00 H new ATOM 553 N TRP A 39 -10.431 -0.789 3.729 1.00 0.00 N ATOM 554 CA TRP A 39 -10.587 0.519 4.356 1.00 0.00 C ATOM 555 C TRP A 39 -10.921 1.585 3.318 1.00 0.00 C ATOM 556 O TRP A 39 -11.901 2.316 3.459 1.00 0.00 O ATOM 557 CB TRP A 39 -9.311 0.903 5.106 1.00 0.00 C ATOM 558 CG TRP A 39 -9.049 0.048 6.309 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.977 -0.459 7.172 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.773 -0.398 6.782 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.356 -1.194 8.153 1.00 0.00 N ATOM 562 CE2 TRP A 39 -8.004 -1.173 7.935 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.459 -0.221 6.341 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.968 -1.766 8.653 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.432 -0.810 7.054 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.691 -1.576 8.199 1.00 0.00 C ATOM 0 H TRP A 39 -9.512 -1.213 3.860 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.413 0.458 5.065 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.462 0.830 4.426 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.381 1.945 5.418 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -11.043 -0.305 7.095 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.826 -1.677 8.919 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.250 0.366 5.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.166 -2.355 9.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.412 -0.678 6.723 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.867 -2.025 8.733 1.00 0.00 H new ATOM 577 N ILE A 40 -10.101 1.666 2.275 1.00 0.00 N ATOM 578 CA ILE A 40 -10.312 2.642 1.213 1.00 0.00 C ATOM 579 C ILE A 40 -11.766 2.648 0.753 1.00 0.00 C ATOM 580 O ILE A 40 -12.373 3.708 0.601 1.00 0.00 O ATOM 581 CB ILE A 40 -9.403 2.360 0.002 1.00 0.00 C ATOM 582 CG1 ILE A 40 -7.933 2.528 0.389 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.761 3.281 -1.155 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.479 3.971 0.426 1.00 0.00 C ATOM 0 H ILE A 40 -9.285 1.068 2.143 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.061 3.619 1.627 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.559 1.330 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.770 2.079 1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.314 1.979 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.110 3.070 -2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.799 3.116 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.631 4.319 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.427 4.014 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.610 4.419 -0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.073 4.521 1.156 1.00 0.00 H new ATOM 596 N GLU A 41 -12.317 1.459 0.535 1.00 0.00 N ATOM 597 CA GLU A 41 -13.701 1.329 0.094 1.00 0.00 C ATOM 598 C GLU A 41 -14.612 2.271 0.875 1.00 0.00 C ATOM 599 O GLU A 41 -15.452 2.962 0.297 1.00 0.00 O ATOM 600 CB GLU A 41 -14.179 -0.115 0.261 1.00 0.00 C ATOM 601 CG GLU A 41 -13.540 -1.085 -0.719 1.00 0.00 C ATOM 602 CD GLU A 41 -13.946 -2.524 -0.464 1.00 0.00 C ATOM 603 OE1 GLU A 41 -14.549 -2.790 0.597 1.00 0.00 O ATOM 604 OE2 GLU A 41 -13.660 -3.383 -1.324 1.00 0.00 O ATOM 0 H GLU A 41 -11.827 0.572 0.656 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.746 1.600 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.964 -0.445 1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.261 -0.147 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.820 -0.807 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.455 -1.000 -0.653 1.00 0.00 H new ATOM 611 N LYS A 42 -14.441 2.293 2.192 1.00 0.00 N ATOM 612 CA LYS A 42 -15.246 3.150 3.054 1.00 0.00 C ATOM 613 C LYS A 42 -14.600 4.523 3.214 1.00 0.00 C ATOM 614 O LYS A 42 -14.658 5.128 4.284 1.00 0.00 O ATOM 615 CB LYS A 42 -15.429 2.499 4.427 1.00 0.00 C ATOM 616 CG LYS A 42 -16.409 1.338 4.424 1.00 0.00 C ATOM 617 CD LYS A 42 -16.354 0.558 5.727 1.00 0.00 C ATOM 618 CE LYS A 42 -17.279 1.158 6.774 1.00 0.00 C ATOM 619 NZ LYS A 42 -17.197 0.428 8.070 1.00 0.00 N ATOM 0 H LYS A 42 -13.752 1.727 2.686 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.222 3.279 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.462 2.146 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.774 3.253 5.134 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.420 1.714 4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.183 0.672 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.634 -0.479 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.332 0.550 6.105 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.020 2.205 6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.305 1.134 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.842 0.867 8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.468 -0.566 7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.223 0.472 8.432 1.00 0.00 H new ATOM 633 N LYS A 43 -13.984 5.010 2.141 1.00 0.00 N ATOM 634 CA LYS A 43 -13.329 6.313 2.160 1.00 0.00 C ATOM 635 C LYS A 43 -12.608 6.540 3.485 1.00 0.00 C ATOM 636 O LYS A 43 -12.792 7.570 4.134 1.00 0.00 O ATOM 637 CB LYS A 43 -14.354 7.425 1.928 1.00 0.00 C ATOM 638 CG LYS A 43 -14.578 7.750 0.461 1.00 0.00 C ATOM 639 CD LYS A 43 -15.464 6.713 -0.210 1.00 0.00 C ATOM 640 CE LYS A 43 -16.938 7.021 -0.002 1.00 0.00 C ATOM 641 NZ LYS A 43 -17.415 6.574 1.336 1.00 0.00 N ATOM 0 H LYS A 43 -13.925 4.522 1.247 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.592 6.333 1.357 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.304 7.131 2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.023 8.326 2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.037 8.735 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.618 7.797 -0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.245 6.682 -1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.238 5.725 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -17.103 8.093 -0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.525 6.531 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.413 6.288 1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.844 5.766 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.322 7.355 2.016 1.00 0.00 H new ATOM 655 N TYR A 44 -11.787 5.573 3.879 1.00 0.00 N ATOM 656 CA TYR A 44 -11.038 5.668 5.127 1.00 0.00 C ATOM 657 C TYR A 44 -9.562 5.943 4.857 1.00 0.00 C ATOM 658 O TYR A 44 -8.901 5.197 4.133 1.00 0.00 O ATOM 659 CB TYR A 44 -11.189 4.378 5.935 1.00 0.00 C ATOM 660 CG TYR A 44 -12.470 4.311 6.735 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.900 5.396 7.488 1.00 0.00 C ATOM 662 CD2 TYR A 44 -13.251 3.161 6.738 1.00 0.00 C ATOM 663 CE1 TYR A 44 -14.070 5.339 8.220 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.422 3.095 7.466 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.828 4.187 8.206 1.00 0.00 C ATOM 666 OH TYR A 44 -15.994 4.125 8.934 1.00 0.00 O ATOM 0 H TYR A 44 -11.623 4.715 3.353 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.444 6.500 5.703 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.150 3.527 5.255 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.341 4.283 6.614 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.309 6.300 7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.936 2.304 6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.389 6.192 8.800 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -15.017 2.194 7.457 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.408 3.245 8.815 1.00 0.00 H new ATOM 676 N HIS A 45 -9.050 7.020 5.445 1.00 0.00 N ATOM 677 CA HIS A 45 -7.652 7.395 5.271 1.00 0.00 C ATOM 678 C HIS A 45 -6.727 6.333 5.860 1.00 0.00 C ATOM 679 O HIS A 45 -6.762 6.062 7.060 1.00 0.00 O ATOM 680 CB HIS A 45 -7.378 8.748 5.928 1.00 0.00 C ATOM 681 CG HIS A 45 -7.656 9.916 5.033 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.737 10.407 4.130 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.759 10.690 4.905 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.262 11.434 3.486 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.489 11.626 3.937 1.00 0.00 N ATOM 0 H HIS A 45 -9.583 7.648 6.046 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.453 7.473 4.202 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.988 8.836 6.827 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.336 8.784 6.245 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.680 10.590 5.461 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.772 12.018 2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.131 12.351 3.618 1.00 0.00 H new ATOM 694 N VAL A 46 -5.901 5.735 5.007 1.00 0.00 N ATOM 695 CA VAL A 46 -4.967 4.704 5.442 1.00 0.00 C ATOM 696 C VAL A 46 -3.526 5.193 5.348 1.00 0.00 C ATOM 697 O VAL A 46 -3.036 5.502 4.263 1.00 0.00 O ATOM 698 CB VAL A 46 -5.118 3.420 4.605 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.244 2.310 5.168 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.576 2.987 4.553 1.00 0.00 C ATOM 0 H VAL A 46 -5.860 5.947 4.010 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.204 4.480 6.482 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.788 3.629 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.364 1.411 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.200 2.624 5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.541 2.099 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.665 2.078 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.935 2.795 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.174 3.777 4.100 1.00 0.00 H new ATOM 710 N GLN A 47 -2.854 5.259 6.493 1.00 0.00 N ATOM 711 CA GLN A 47 -1.468 5.710 6.539 1.00 0.00 C ATOM 712 C GLN A 47 -0.508 4.527 6.469 1.00 0.00 C ATOM 713 O GLN A 47 -0.430 3.722 7.397 1.00 0.00 O ATOM 714 CB GLN A 47 -1.213 6.514 7.815 1.00 0.00 C ATOM 715 CG GLN A 47 0.258 6.626 8.181 1.00 0.00 C ATOM 716 CD GLN A 47 0.502 7.581 9.332 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.009 7.188 10.383 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.143 8.845 9.139 1.00 0.00 N ATOM 0 H GLN A 47 -3.246 5.006 7.400 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.292 6.349 5.674 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.625 7.515 7.692 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.750 6.048 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.639 5.640 8.446 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.821 6.962 7.310 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.274 9.127 8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.284 9.534 9.878 1.00 0.00 H new ATOM 727 N VAL A 48 0.222 4.428 5.363 1.00 0.00 N ATOM 728 CA VAL A 48 1.178 3.343 5.172 1.00 0.00 C ATOM 729 C VAL A 48 2.604 3.816 5.433 1.00 0.00 C ATOM 730 O VAL A 48 2.981 4.927 5.059 1.00 0.00 O ATOM 731 CB VAL A 48 1.093 2.764 3.748 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.006 1.555 3.608 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.344 2.400 3.406 1.00 0.00 C ATOM 0 H VAL A 48 0.170 5.086 4.585 1.00 0.00 H new ATOM 0 HA VAL A 48 0.920 2.563 5.888 1.00 0.00 H new ATOM 0 HB VAL A 48 1.428 3.526 3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.933 1.159 2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.036 1.851 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.705 0.787 4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.386 1.992 2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.709 1.655 4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.969 3.291 3.463 1.00 0.00 H new ATOM 743 N THR A 49 3.396 2.964 6.078 1.00 0.00 N ATOM 744 CA THR A 49 4.781 3.294 6.389 1.00 0.00 C ATOM 745 C THR A 49 5.695 2.095 6.163 1.00 0.00 C ATOM 746 O THR A 49 5.406 0.988 6.616 1.00 0.00 O ATOM 747 CB THR A 49 4.930 3.771 7.846 1.00 0.00 C ATOM 748 OG1 THR A 49 3.879 4.687 8.172 1.00 0.00 O ATOM 749 CG2 THR A 49 6.279 4.442 8.060 1.00 0.00 C ATOM 0 H THR A 49 3.101 2.040 6.395 1.00 0.00 H new ATOM 0 HA THR A 49 5.073 4.102 5.718 1.00 0.00 H new ATOM 0 HB THR A 49 4.867 2.900 8.498 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.980 4.984 9.100 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.362 4.771 9.096 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.077 3.733 7.839 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.366 5.304 7.398 1.00 0.00 H new ATOM 757 N ILE A 50 6.800 2.325 5.461 1.00 0.00 N ATOM 758 CA ILE A 50 7.758 1.264 5.177 1.00 0.00 C ATOM 759 C ILE A 50 9.025 1.430 6.008 1.00 0.00 C ATOM 760 O ILE A 50 9.719 2.442 5.908 1.00 0.00 O ATOM 761 CB ILE A 50 8.137 1.232 3.684 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.910 1.524 2.818 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.742 -0.115 3.320 1.00 0.00 C ATOM 764 CD1 ILE A 50 5.896 0.401 2.809 1.00 0.00 C ATOM 0 H ILE A 50 7.054 3.236 5.079 1.00 0.00 H new ATOM 0 HA ILE A 50 7.274 0.324 5.441 1.00 0.00 H new ATOM 0 HB ILE A 50 8.882 2.005 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.429 2.434 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.235 1.718 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.005 -0.122 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.638 -0.285 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.018 -0.905 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.053 0.677 2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.360 -0.506 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.543 0.222 3.824 1.00 0.00 H new ATOM 776 N LYS A 51 9.323 0.428 6.829 1.00 0.00 N ATOM 777 CA LYS A 51 10.509 0.460 7.677 1.00 0.00 C ATOM 778 C LYS A 51 11.708 -0.152 6.959 1.00 0.00 C ATOM 779 O LYS A 51 11.618 -1.247 6.404 1.00 0.00 O ATOM 780 CB LYS A 51 10.247 -0.291 8.984 1.00 0.00 C ATOM 781 CG LYS A 51 9.106 0.290 9.801 1.00 0.00 C ATOM 782 CD LYS A 51 9.552 1.505 10.597 1.00 0.00 C ATOM 783 CE LYS A 51 8.741 1.664 11.873 1.00 0.00 C ATOM 784 NZ LYS A 51 9.144 0.678 12.914 1.00 0.00 N ATOM 0 H LYS A 51 8.759 -0.417 6.925 1.00 0.00 H new ATOM 0 HA LYS A 51 10.735 1.502 7.903 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.025 -1.334 8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.155 -0.283 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.288 0.569 9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.720 -0.470 10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.609 1.410 10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.448 2.401 9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.869 2.674 12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.682 1.541 11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.707 0.934 13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.828 -0.272 12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.179 0.683 13.015 1.00 0.00 H new ATOM 798 N ARG A 52 12.829 0.562 6.975 1.00 0.00 N ATOM 799 CA ARG A 52 14.045 0.089 6.325 1.00 0.00 C ATOM 800 C ARG A 52 14.922 -0.683 7.308 1.00 0.00 C ATOM 801 O ARG A 52 14.802 -0.519 8.522 1.00 0.00 O ATOM 802 CB ARG A 52 14.829 1.266 5.742 1.00 0.00 C ATOM 803 CG ARG A 52 14.206 1.849 4.484 1.00 0.00 C ATOM 804 CD ARG A 52 12.893 2.553 4.788 1.00 0.00 C ATOM 805 NE ARG A 52 12.609 3.618 3.830 1.00 0.00 N ATOM 806 CZ ARG A 52 13.279 4.765 3.785 1.00 0.00 C ATOM 807 NH1 ARG A 52 14.266 4.993 4.640 1.00 0.00 N ATOM 808 NH2 ARG A 52 12.961 5.685 2.884 1.00 0.00 N ATOM 0 H ARG A 52 12.920 1.470 7.431 1.00 0.00 H new ATOM 0 HA ARG A 52 13.757 -0.582 5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.906 2.049 6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 52 15.844 0.940 5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.900 2.553 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.034 1.053 3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.080 1.827 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.930 2.971 5.794 1.00 0.00 H new ATOM 0 HE ARG A 52 11.855 3.474 3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.513 4.287 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.779 5.874 4.604 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.202 5.512 2.225 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.476 6.565 2.850 1.00 0.00 H new ATOM 822 N ARG A 53 15.802 -1.524 6.775 1.00 0.00 N ATOM 823 CA ARG A 53 16.696 -2.321 7.604 1.00 0.00 C ATOM 824 C ARG A 53 17.956 -1.536 7.956 1.00 0.00 C ATOM 825 O ARG A 53 18.119 -0.386 7.547 1.00 0.00 O ATOM 826 CB ARG A 53 17.075 -3.617 6.884 1.00 0.00 C ATOM 827 CG ARG A 53 17.403 -3.423 5.413 1.00 0.00 C ATOM 828 CD ARG A 53 16.169 -3.590 4.540 1.00 0.00 C ATOM 829 NE ARG A 53 15.992 -4.972 4.102 1.00 0.00 N ATOM 830 CZ ARG A 53 14.846 -5.454 3.635 1.00 0.00 C ATOM 831 NH1 ARG A 53 13.781 -4.670 3.545 1.00 0.00 N ATOM 832 NH2 ARG A 53 14.763 -6.723 3.256 1.00 0.00 N ATOM 0 H ARG A 53 15.915 -1.671 5.772 1.00 0.00 H new ATOM 0 HA ARG A 53 16.171 -2.566 8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 53 17.935 -4.062 7.384 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.252 -4.326 6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.826 -2.430 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.164 -4.143 5.111 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.287 -3.269 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.251 -2.941 3.668 1.00 0.00 H new ATOM 0 HE ARG A 53 16.793 -5.602 4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.840 -3.694 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.902 -5.043 3.186 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.580 -7.330 3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.882 -7.092 2.898 1.00 0.00 H new ATOM 846 N LYS A 54 18.846 -2.164 8.717 1.00 0.00 N ATOM 847 CA LYS A 54 20.092 -1.526 9.124 1.00 0.00 C ATOM 848 C LYS A 54 21.183 -1.747 8.081 1.00 0.00 C ATOM 849 O LYS A 54 22.006 -0.866 7.833 1.00 0.00 O ATOM 850 CB LYS A 54 20.549 -2.070 10.479 1.00 0.00 C ATOM 851 CG LYS A 54 21.547 -1.172 11.191 1.00 0.00 C ATOM 852 CD LYS A 54 22.200 -1.884 12.363 1.00 0.00 C ATOM 853 CE LYS A 54 23.578 -1.314 12.663 1.00 0.00 C ATOM 854 NZ LYS A 54 24.129 -1.840 13.943 1.00 0.00 N ATOM 0 H LYS A 54 18.727 -3.116 9.065 1.00 0.00 H new ATOM 0 HA LYS A 54 19.910 -0.455 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 54 19.677 -2.208 11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 54 20.997 -3.053 10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 54 22.314 -0.849 10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 54 21.041 -0.274 11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 54 21.567 -1.791 13.245 1.00 0.00 H new ATOM 0 HD3 LYS A 54 22.285 -2.948 12.142 1.00 0.00 H new ATOM 0 HE2 LYS A 54 24.258 -1.559 11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 54 23.518 -0.227 12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 25.069 -1.428 14.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 23.493 -1.585 14.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 24.210 -2.875 13.887 1.00 0.00 H new ATOM 868 N ASP A 55 21.182 -2.929 7.473 1.00 0.00 N ATOM 869 CA ASP A 55 22.170 -3.265 6.455 1.00 0.00 C ATOM 870 C ASP A 55 21.554 -3.209 5.060 1.00 0.00 C ATOM 871 O ASP A 55 21.858 -4.038 4.203 1.00 0.00 O ATOM 872 CB ASP A 55 22.749 -4.657 6.715 1.00 0.00 C ATOM 873 CG ASP A 55 24.178 -4.790 6.229 1.00 0.00 C ATOM 874 OD1 ASP A 55 24.377 -4.960 5.008 1.00 0.00 O ATOM 875 OD2 ASP A 55 25.099 -4.723 7.070 1.00 0.00 O ATOM 0 H ASP A 55 20.508 -3.670 7.668 1.00 0.00 H new ATOM 0 HA ASP A 55 22.973 -2.530 6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.711 -4.869 7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 55 22.129 -5.404 6.219 1.00 0.00 H new ATOM 880 N ALA A 56 20.687 -2.226 4.841 1.00 0.00 N ATOM 881 CA ALA A 56 20.029 -2.062 3.551 1.00 0.00 C ATOM 882 C ALA A 56 20.998 -2.325 2.403 1.00 0.00 C ATOM 883 O ALA A 56 22.088 -1.757 2.358 1.00 0.00 O ATOM 884 CB ALA A 56 19.437 -0.665 3.435 1.00 0.00 C ATOM 0 H ALA A 56 20.424 -1.531 5.540 1.00 0.00 H new ATOM 0 HA ALA A 56 19.223 -2.793 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.949 -0.556 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.706 -0.512 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.232 0.076 3.526 1.00 0.00 H new ATOM 890 N GLU A 57 20.592 -3.190 1.479 1.00 0.00 N ATOM 891 CA GLU A 57 21.426 -3.529 0.332 1.00 0.00 C ATOM 892 C GLU A 57 20.740 -3.139 -0.974 1.00 0.00 C ATOM 893 O GLU A 57 20.665 -3.936 -1.909 1.00 0.00 O ATOM 894 CB GLU A 57 21.742 -5.026 0.328 1.00 0.00 C ATOM 895 CG GLU A 57 20.531 -5.903 0.061 1.00 0.00 C ATOM 896 CD GLU A 57 20.655 -7.276 0.692 1.00 0.00 C ATOM 897 OE1 GLU A 57 21.072 -7.355 1.866 1.00 0.00 O ATOM 898 OE2 GLU A 57 20.333 -8.272 0.011 1.00 0.00 O ATOM 0 H GLU A 57 19.691 -3.668 1.502 1.00 0.00 H new ATOM 0 HA GLU A 57 22.357 -2.969 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 57 22.500 -5.227 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 57 22.173 -5.300 1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.638 -5.410 0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 57 20.396 -6.013 -1.015 1.00 0.00 H new ATOM 905 N GLN A 58 20.241 -1.908 -1.029 1.00 0.00 N ATOM 906 CA GLN A 58 19.560 -1.413 -2.220 1.00 0.00 C ATOM 907 C GLN A 58 19.245 0.073 -2.088 1.00 0.00 C ATOM 908 O GLN A 58 19.606 0.709 -1.098 1.00 0.00 O ATOM 909 CB GLN A 58 18.271 -2.200 -2.460 1.00 0.00 C ATOM 910 CG GLN A 58 17.151 -1.842 -1.497 1.00 0.00 C ATOM 911 CD GLN A 58 17.158 -2.701 -0.248 1.00 0.00 C ATOM 912 OE1 GLN A 58 16.446 -3.701 -0.164 1.00 0.00 O ATOM 913 NE2 GLN A 58 17.966 -2.313 0.732 1.00 0.00 N ATOM 0 H GLN A 58 20.295 -1.236 -0.264 1.00 0.00 H new ATOM 0 HA GLN A 58 20.225 -1.551 -3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 58 17.932 -2.023 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.485 -3.266 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.243 -0.794 -1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.192 -1.952 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.539 -1.477 0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.013 -2.851 1.597 1.00 0.00 H new ATOM 922 N SER A 59 18.570 0.621 -3.093 1.00 0.00 N ATOM 923 CA SER A 59 18.209 2.034 -3.092 1.00 0.00 C ATOM 924 C SER A 59 16.758 2.224 -2.660 1.00 0.00 C ATOM 925 O SER A 59 16.015 1.256 -2.502 1.00 0.00 O ATOM 926 CB SER A 59 18.424 2.639 -4.481 1.00 0.00 C ATOM 927 OG SER A 59 19.803 2.830 -4.746 1.00 0.00 O ATOM 0 H SER A 59 18.262 0.108 -3.919 1.00 0.00 H new ATOM 0 HA SER A 59 18.852 2.547 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.992 1.983 -5.237 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.902 3.593 -4.550 1.00 0.00 H new ATOM 0 HG SER A 59 19.914 3.216 -5.640 1.00 0.00 H new ATOM 933 N GLU A 60 16.363 3.480 -2.472 1.00 0.00 N ATOM 934 CA GLU A 60 15.001 3.797 -2.058 1.00 0.00 C ATOM 935 C GLU A 60 13.991 3.316 -3.096 1.00 0.00 C ATOM 936 O GLU A 60 12.903 2.856 -2.751 1.00 0.00 O ATOM 937 CB GLU A 60 14.848 5.304 -1.842 1.00 0.00 C ATOM 938 CG GLU A 60 15.608 5.826 -0.633 1.00 0.00 C ATOM 939 CD GLU A 60 15.495 7.330 -0.478 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.356 7.842 -0.481 1.00 0.00 O ATOM 941 OE2 GLU A 60 16.545 7.994 -0.354 1.00 0.00 O ATOM 0 H GLU A 60 16.966 4.293 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 60 14.805 3.280 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.195 5.827 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.790 5.540 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.228 5.342 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.659 5.552 -0.723 1.00 0.00 H new ATOM 948 N GLU A 61 14.360 3.427 -4.368 1.00 0.00 N ATOM 949 CA GLU A 61 13.486 3.005 -5.456 1.00 0.00 C ATOM 950 C GLU A 61 12.714 1.744 -5.076 1.00 0.00 C ATOM 951 O GLU A 61 11.542 1.596 -5.418 1.00 0.00 O ATOM 952 CB GLU A 61 14.301 2.754 -6.727 1.00 0.00 C ATOM 953 CG GLU A 61 13.555 3.097 -8.005 1.00 0.00 C ATOM 954 CD GLU A 61 13.953 2.209 -9.169 1.00 0.00 C ATOM 955 OE1 GLU A 61 15.164 1.940 -9.322 1.00 0.00 O ATOM 956 OE2 GLU A 61 13.056 1.783 -9.925 1.00 0.00 O ATOM 0 H GLU A 61 15.258 3.805 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 61 12.770 3.805 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.218 3.342 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.596 1.705 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.483 3.004 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.747 4.138 -8.265 1.00 0.00 H new ATOM 963 N GLU A 62 13.383 0.839 -4.367 1.00 0.00 N ATOM 964 CA GLU A 62 12.760 -0.409 -3.942 1.00 0.00 C ATOM 965 C GLU A 62 11.658 -0.147 -2.920 1.00 0.00 C ATOM 966 O GLU A 62 10.581 -0.740 -2.984 1.00 0.00 O ATOM 967 CB GLU A 62 13.809 -1.351 -3.348 1.00 0.00 C ATOM 968 CG GLU A 62 14.462 -2.260 -4.375 1.00 0.00 C ATOM 969 CD GLU A 62 14.899 -3.587 -3.786 1.00 0.00 C ATOM 970 OE1 GLU A 62 14.303 -4.011 -2.774 1.00 0.00 O ATOM 971 OE2 GLU A 62 15.837 -4.201 -4.336 1.00 0.00 O ATOM 0 H GLU A 62 14.355 0.947 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 62 12.314 -0.880 -4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.581 -0.758 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.340 -1.964 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.762 -2.442 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.327 -1.755 -4.804 1.00 0.00 H new ATOM 978 N THR A 63 11.936 0.747 -1.975 1.00 0.00 N ATOM 979 CA THR A 63 10.970 1.087 -0.938 1.00 0.00 C ATOM 980 C THR A 63 9.673 1.609 -1.544 1.00 0.00 C ATOM 981 O THR A 63 8.582 1.243 -1.106 1.00 0.00 O ATOM 982 CB THR A 63 11.534 2.146 0.029 1.00 0.00 C ATOM 983 OG1 THR A 63 12.593 1.581 0.810 1.00 0.00 O ATOM 984 CG2 THR A 63 10.444 2.673 0.949 1.00 0.00 C ATOM 0 H THR A 63 12.822 1.248 -1.907 1.00 0.00 H new ATOM 0 HA THR A 63 10.766 0.171 -0.384 1.00 0.00 H new ATOM 0 HB THR A 63 11.922 2.976 -0.561 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.947 2.260 1.421 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.866 3.419 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.653 3.128 0.353 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.031 1.850 1.532 1.00 0.00 H new ATOM 992 N GLU A 64 9.798 2.464 -2.553 1.00 0.00 N ATOM 993 CA GLU A 64 8.634 3.036 -3.219 1.00 0.00 C ATOM 994 C GLU A 64 7.828 1.953 -3.930 1.00 0.00 C ATOM 995 O GLU A 64 6.599 1.932 -3.860 1.00 0.00 O ATOM 996 CB GLU A 64 9.066 4.107 -4.222 1.00 0.00 C ATOM 997 CG GLU A 64 9.463 5.423 -3.575 1.00 0.00 C ATOM 998 CD GLU A 64 10.644 5.277 -2.634 1.00 0.00 C ATOM 999 OE1 GLU A 64 10.421 4.941 -1.452 1.00 0.00 O ATOM 1000 OE2 GLU A 64 11.789 5.500 -3.079 1.00 0.00 O ATOM 0 H GLU A 64 10.694 2.776 -2.928 1.00 0.00 H new ATOM 0 HA GLU A 64 8.002 3.496 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.907 3.730 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.250 4.288 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.710 6.146 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.612 5.824 -3.025 1.00 0.00 H new ATOM 1007 N GLU A 65 8.529 1.055 -4.616 1.00 0.00 N ATOM 1008 CA GLU A 65 7.879 -0.030 -5.341 1.00 0.00 C ATOM 1009 C GLU A 65 6.765 -0.653 -4.505 1.00 0.00 C ATOM 1010 O GLU A 65 5.702 -0.994 -5.023 1.00 0.00 O ATOM 1011 CB GLU A 65 8.902 -1.100 -5.727 1.00 0.00 C ATOM 1012 CG GLU A 65 9.784 -0.705 -6.899 1.00 0.00 C ATOM 1013 CD GLU A 65 8.983 -0.302 -8.122 1.00 0.00 C ATOM 1014 OE1 GLU A 65 8.565 0.873 -8.196 1.00 0.00 O ATOM 1015 OE2 GLU A 65 8.773 -1.160 -9.005 1.00 0.00 O ATOM 0 H GLU A 65 9.547 1.058 -4.685 1.00 0.00 H new ATOM 0 HA GLU A 65 7.439 0.386 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.533 -1.315 -4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.375 -2.022 -5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.428 0.123 -6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.436 -1.540 -7.155 1.00 0.00 H new ATOM 1022 N ILE A 66 7.018 -0.798 -3.208 1.00 0.00 N ATOM 1023 CA ILE A 66 6.037 -1.379 -2.300 1.00 0.00 C ATOM 1024 C ILE A 66 4.670 -0.726 -2.476 1.00 0.00 C ATOM 1025 O ILE A 66 3.686 -1.396 -2.791 1.00 0.00 O ATOM 1026 CB ILE A 66 6.477 -1.236 -0.831 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.803 -1.963 -0.600 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.401 -1.778 0.099 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.731 -3.451 -0.860 1.00 0.00 C ATOM 0 H ILE A 66 7.893 -0.521 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 66 5.965 -2.438 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 66 6.621 -0.178 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.565 -1.526 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.124 -1.797 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.726 -1.670 1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.476 -1.221 -0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.229 -2.832 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.707 -3.900 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.993 -3.901 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.441 -3.626 -1.896 1.00 0.00 H new ATOM 1041 N PHE A 67 4.617 0.586 -2.271 1.00 0.00 N ATOM 1042 CA PHE A 67 3.370 1.330 -2.408 1.00 0.00 C ATOM 1043 C PHE A 67 2.640 0.937 -3.689 1.00 0.00 C ATOM 1044 O PHE A 67 1.415 0.817 -3.705 1.00 0.00 O ATOM 1045 CB PHE A 67 3.648 2.835 -2.407 1.00 0.00 C ATOM 1046 CG PHE A 67 4.338 3.317 -1.163 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.724 3.202 0.074 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.600 3.884 -1.230 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.356 3.645 1.220 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.238 4.328 -0.087 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.615 4.208 1.140 1.00 0.00 C ATOM 0 H PHE A 67 5.422 1.155 -2.010 1.00 0.00 H new ATOM 0 HA PHE A 67 2.733 1.084 -1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.262 3.083 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.705 3.370 -2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.740 2.761 0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.091 3.980 -2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.866 3.551 2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.222 4.768 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.111 4.554 2.035 1.00 0.00 H new ATOM 1061 N ASN A 68 3.401 0.739 -4.760 1.00 0.00 N ATOM 1062 CA ASN A 68 2.826 0.361 -6.046 1.00 0.00 C ATOM 1063 C ASN A 68 2.219 -1.038 -5.980 1.00 0.00 C ATOM 1064 O ASN A 68 1.047 -1.231 -6.301 1.00 0.00 O ATOM 1065 CB ASN A 68 3.894 0.414 -7.141 1.00 0.00 C ATOM 1066 CG ASN A 68 4.058 1.806 -7.720 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.103 2.580 -7.786 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.274 2.130 -8.145 1.00 0.00 N ATOM 0 H ASN A 68 4.417 0.834 -4.763 1.00 0.00 H new ATOM 0 HA ASN A 68 2.034 1.071 -6.285 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.847 0.079 -6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.628 -0.280 -7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.445 3.052 -8.546 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.036 1.457 -8.071 1.00 0.00 H new ATOM 1075 N GLN A 69 3.025 -2.008 -5.562 1.00 0.00 N ATOM 1076 CA GLN A 69 2.567 -3.388 -5.455 1.00 0.00 C ATOM 1077 C GLN A 69 1.188 -3.455 -4.807 1.00 0.00 C ATOM 1078 O GLN A 69 0.417 -4.381 -5.060 1.00 0.00 O ATOM 1079 CB GLN A 69 3.565 -4.217 -4.645 1.00 0.00 C ATOM 1080 CG GLN A 69 5.011 -4.009 -5.063 1.00 0.00 C ATOM 1081 CD GLN A 69 5.879 -5.222 -4.791 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.374 -6.308 -4.506 1.00 0.00 O ATOM 1083 NE2 GLN A 69 7.191 -5.043 -4.879 1.00 0.00 N ATOM 0 H GLN A 69 3.998 -1.864 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 69 2.496 -3.800 -6.462 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.461 -3.965 -3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.315 -5.273 -4.747 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.047 -3.773 -6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.419 -3.149 -4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.566 -4.125 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.825 -5.824 -4.707 1.00 0.00 H new ATOM 1092 N ILE A 70 0.884 -2.467 -3.972 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.403 -2.414 -3.289 1.00 0.00 C ATOM 1094 C ILE A 70 -1.454 -1.723 -4.150 1.00 0.00 C ATOM 1095 O ILE A 70 -2.576 -2.211 -4.291 1.00 0.00 O ATOM 1096 CB ILE A 70 -0.294 -1.678 -1.940 1.00 0.00 C ATOM 1097 CG1 ILE A 70 0.957 -2.131 -1.186 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.541 -1.920 -1.103 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.310 -1.244 -0.013 1.00 0.00 C ATOM 0 H ILE A 70 1.511 -1.693 -3.752 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.707 -3.445 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.211 -0.608 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.807 -3.150 -0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.799 -2.157 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.449 -1.394 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.416 -1.552 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.653 -2.988 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.207 -1.625 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.492 -0.229 -0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.485 -1.237 0.699 1.00 0.00 H new ATOM 1111 N LEU A 71 -1.084 -0.584 -4.725 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.995 0.175 -5.575 1.00 0.00 C ATOM 1113 C LEU A 71 -2.359 -0.618 -6.827 1.00 0.00 C ATOM 1114 O LEU A 71 -3.353 -0.324 -7.490 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.361 1.510 -5.970 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.322 2.581 -6.488 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.975 3.318 -5.330 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.591 3.557 -7.399 1.00 0.00 C ATOM 0 H LEU A 71 -0.160 -0.166 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.907 0.366 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.835 1.910 -5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.611 1.320 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.105 2.090 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.655 4.076 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.532 2.610 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.206 3.797 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.290 4.312 -7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.788 4.041 -6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.171 3.018 -8.248 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.550 -1.624 -7.140 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.789 -2.460 -8.311 1.00 0.00 C ATOM 1132 C GLN A 72 -3.066 -3.277 -8.145 1.00 0.00 C ATOM 1133 O GLN A 72 -3.625 -3.780 -9.120 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.600 -3.392 -8.550 1.00 0.00 C ATOM 1135 CG GLN A 72 0.600 -2.700 -9.177 1.00 0.00 C ATOM 1136 CD GLN A 72 1.489 -3.657 -9.946 1.00 0.00 C ATOM 1137 OE1 GLN A 72 1.154 -4.081 -11.053 1.00 0.00 O ATOM 1138 NE2 GLN A 72 2.631 -4.003 -9.363 1.00 0.00 N ATOM 0 H GLN A 72 -0.724 -1.880 -6.600 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.908 -1.806 -9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.299 -3.834 -7.600 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.915 -4.211 -9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.252 -1.915 -9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.185 -2.215 -8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.869 -3.628 -8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.270 -4.644 -9.833 1.00 0.00 H new ATOM 1147 N THR A 73 -3.523 -3.406 -6.903 1.00 0.00 N ATOM 1148 CA THR A 73 -4.733 -4.163 -6.609 1.00 0.00 C ATOM 1149 C THR A 73 -5.952 -3.249 -6.545 1.00 0.00 C ATOM 1150 O THR A 73 -7.089 -3.707 -6.652 1.00 0.00 O ATOM 1151 CB THR A 73 -4.608 -4.926 -5.277 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.616 -4.005 -4.181 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.330 -5.751 -5.244 1.00 0.00 C ATOM 0 H THR A 73 -3.073 -2.996 -6.085 1.00 0.00 H new ATOM 0 HA THR A 73 -4.862 -4.880 -7.420 1.00 0.00 H new ATOM 0 HB THR A 73 -5.460 -5.601 -5.189 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.862 -3.385 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.263 -6.281 -4.294 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.341 -6.472 -6.062 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.469 -5.092 -5.353 1.00 0.00 H new ATOM 1161 N MET A 74 -5.706 -1.955 -6.372 1.00 0.00 N ATOM 1162 CA MET A 74 -6.785 -0.976 -6.296 1.00 0.00 C ATOM 1163 C MET A 74 -6.494 0.224 -7.191 1.00 0.00 C ATOM 1164 O MET A 74 -6.681 1.378 -6.803 1.00 0.00 O ATOM 1165 CB MET A 74 -6.982 -0.514 -4.851 1.00 0.00 C ATOM 1166 CG MET A 74 -5.695 -0.475 -4.044 1.00 0.00 C ATOM 1167 SD MET A 74 -5.971 -0.044 -2.315 1.00 0.00 S ATOM 1168 CE MET A 74 -5.075 -1.358 -1.491 1.00 0.00 C ATOM 0 H MET A 74 -4.770 -1.560 -6.282 1.00 0.00 H new ATOM 0 HA MET A 74 -7.701 -1.453 -6.645 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.429 0.480 -4.854 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.690 -1.181 -4.358 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.207 -1.448 -4.098 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.013 0.249 -4.490 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.769 -1.958 -0.903 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.589 -1.989 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.320 -0.927 -0.833 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.026 -0.051 -8.417 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.700 0.994 -9.393 1.00 0.00 C ATOM 1180 C PRO A 75 -6.942 1.704 -9.919 1.00 0.00 C ATOM 1181 O PRO A 75 -6.843 2.708 -10.624 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.006 0.224 -10.519 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.537 -1.164 -10.412 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.779 -1.402 -8.947 1.00 0.00 C ATOM 0 HA PRO A 75 -5.087 1.782 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.230 0.659 -11.493 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.922 0.243 -10.403 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.459 -1.274 -10.983 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.826 -1.886 -10.813 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.632 -2.060 -8.783 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.919 -1.870 -8.469 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.111 1.176 -9.572 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.374 1.761 -10.009 1.00 0.00 C ATOM 1194 C ASP A 76 -10.252 2.113 -8.813 1.00 0.00 C ATOM 1195 O ASP A 76 -11.273 2.786 -8.957 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.115 0.794 -10.934 1.00 0.00 C ATOM 1197 CG ASP A 76 -11.011 -0.163 -10.174 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -12.116 0.255 -9.769 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -10.608 -1.329 -9.983 1.00 0.00 O ATOM 0 H ASP A 76 -8.210 0.344 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.152 2.677 -10.556 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.716 1.363 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.390 0.224 -11.515 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.849 1.653 -7.633 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.599 1.920 -6.412 1.00 0.00 C ATOM 1206 C ILE A 77 -9.804 2.807 -5.461 1.00 0.00 C ATOM 1207 O ILE A 77 -10.364 3.417 -4.551 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.975 0.615 -5.686 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.081 0.857 -4.179 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.950 -0.470 -5.982 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.489 -0.372 -3.397 1.00 0.00 C ATOM 0 H ILE A 77 -9.007 1.094 -7.497 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.512 2.437 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.946 0.280 -6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.119 1.211 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.805 1.651 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.229 -1.386 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.918 -0.657 -7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.967 -0.145 -5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.544 -0.127 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.465 -0.715 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.753 -1.161 -3.549 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.495 2.876 -5.680 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.622 3.692 -4.845 1.00 0.00 C ATOM 1225 C ALA A 78 -6.597 4.441 -5.689 1.00 0.00 C ATOM 1226 O ALA A 78 -6.297 4.046 -6.817 1.00 0.00 O ATOM 1227 CB ALA A 78 -6.924 2.826 -3.807 1.00 0.00 C ATOM 0 H ALA A 78 -8.016 2.376 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.238 4.430 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.275 3.448 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.670 2.342 -3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.326 2.066 -4.310 1.00 0.00 H new ATOM 1233 N THR A 79 -6.060 5.525 -5.138 1.00 0.00 N ATOM 1234 CA THR A 79 -5.070 6.330 -5.841 1.00 0.00 C ATOM 1235 C THR A 79 -4.119 7.010 -4.862 1.00 0.00 C ATOM 1236 O THR A 79 -4.466 7.244 -3.704 1.00 0.00 O ATOM 1237 CB THR A 79 -5.739 7.404 -6.719 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.753 8.067 -7.518 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.474 8.423 -5.862 1.00 0.00 C ATOM 0 H THR A 79 -6.295 5.866 -4.206 1.00 0.00 H new ATOM 0 HA THR A 79 -4.506 5.650 -6.479 1.00 0.00 H new ATOM 0 HB THR A 79 -6.462 6.912 -7.369 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.186 8.747 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.938 9.171 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.243 7.919 -5.277 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.768 8.910 -5.190 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.918 7.327 -5.335 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.916 7.981 -4.501 1.00 0.00 C ATOM 1249 C PHE A 80 -2.417 9.337 -4.013 1.00 0.00 C ATOM 1250 O PHE A 80 -2.566 10.274 -4.796 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.610 8.156 -5.278 1.00 0.00 C ATOM 1252 CG PHE A 80 0.348 7.012 -5.105 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.137 6.917 -3.971 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.459 6.031 -6.078 1.00 0.00 C ATOM 1255 CE1 PHE A 80 2.020 5.865 -3.809 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.339 4.977 -5.922 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.121 4.895 -4.786 1.00 0.00 C ATOM 0 H PHE A 80 -2.615 7.142 -6.291 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.731 7.348 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.839 8.270 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.125 9.077 -4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.062 7.673 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.149 6.091 -6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.630 5.802 -2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.415 4.218 -6.687 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.811 4.073 -4.662 1.00 0.00 H new ATOM 1267 N SER A 81 -2.674 9.433 -2.712 1.00 0.00 N ATOM 1268 CA SER A 81 -3.162 10.673 -2.119 1.00 0.00 C ATOM 1269 C SER A 81 -2.001 11.597 -1.761 1.00 0.00 C ATOM 1270 O SER A 81 -2.053 12.801 -2.009 1.00 0.00 O ATOM 1271 CB SER A 81 -3.994 10.373 -0.871 1.00 0.00 C ATOM 1272 OG SER A 81 -4.397 11.570 -0.227 1.00 0.00 O ATOM 0 H SER A 81 -2.552 8.667 -2.049 1.00 0.00 H new ATOM 0 HA SER A 81 -3.791 11.176 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.873 9.791 -1.147 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.412 9.763 -0.180 1.00 0.00 H new ATOM 0 HG SER A 81 -4.929 11.351 0.567 1.00 0.00 H new ATOM 1278 N SER A 82 -0.956 11.023 -1.174 1.00 0.00 N ATOM 1279 CA SER A 82 0.217 11.794 -0.777 1.00 0.00 C ATOM 1280 C SER A 82 1.501 11.077 -1.182 1.00 0.00 C ATOM 1281 O SER A 82 1.883 10.076 -0.576 1.00 0.00 O ATOM 1282 CB SER A 82 0.207 12.035 0.733 1.00 0.00 C ATOM 1283 OG SER A 82 0.851 13.255 1.059 1.00 0.00 O ATOM 0 H SER A 82 -0.897 10.027 -0.963 1.00 0.00 H new ATOM 0 HA SER A 82 0.181 12.755 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.821 12.055 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.707 11.209 1.240 1.00 0.00 H new ATOM 0 HG SER A 82 0.830 13.387 2.030 1.00 0.00 H new ATOM 1289 N ARG A 83 2.163 11.597 -2.210 1.00 0.00 N ATOM 1290 CA ARG A 83 3.404 11.007 -2.698 1.00 0.00 C ATOM 1291 C ARG A 83 4.288 10.565 -1.536 1.00 0.00 C ATOM 1292 O ARG A 83 4.461 11.279 -0.548 1.00 0.00 O ATOM 1293 CB ARG A 83 4.159 12.007 -3.575 1.00 0.00 C ATOM 1294 CG ARG A 83 3.686 12.029 -5.019 1.00 0.00 C ATOM 1295 CD ARG A 83 4.461 11.038 -5.874 1.00 0.00 C ATOM 1296 NE ARG A 83 3.814 10.803 -7.162 1.00 0.00 N ATOM 1297 CZ ARG A 83 2.799 9.962 -7.331 1.00 0.00 C ATOM 1298 NH1 ARG A 83 2.319 9.281 -6.300 1.00 0.00 N ATOM 1299 NH2 ARG A 83 2.263 9.801 -8.534 1.00 0.00 N ATOM 0 H ARG A 83 1.861 12.426 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 83 3.151 10.130 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.049 13.005 -3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.222 11.766 -3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.623 11.792 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.804 13.033 -5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.471 11.414 -6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.556 10.093 -5.338 1.00 0.00 H new ATOM 0 HE ARG A 83 4.160 11.312 -7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.729 9.402 -5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.540 8.636 -6.433 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.630 10.323 -9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.484 9.155 -8.663 1.00 0.00 H new ATOM 1313 N PRO A 84 4.862 9.358 -1.654 1.00 0.00 N ATOM 1314 CA PRO A 84 5.738 8.793 -0.624 1.00 0.00 C ATOM 1315 C PRO A 84 7.072 9.526 -0.531 1.00 0.00 C ATOM 1316 O PRO A 84 7.870 9.506 -1.468 1.00 0.00 O ATOM 1317 CB PRO A 84 5.952 7.351 -1.092 1.00 0.00 C ATOM 1318 CG PRO A 84 5.743 7.396 -2.566 1.00 0.00 C ATOM 1319 CD PRO A 84 4.700 8.453 -2.804 1.00 0.00 C ATOM 0 HA PRO A 84 5.300 8.872 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.954 6.999 -0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.248 6.671 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.670 7.639 -3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.411 6.429 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.862 8.971 -3.749 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.697 8.027 -2.842 1.00 0.00 H new ATOM 1327 N LYS A 85 7.308 10.173 0.605 1.00 0.00 N ATOM 1328 CA LYS A 85 8.546 10.912 0.823 1.00 0.00 C ATOM 1329 C LYS A 85 9.276 10.398 2.059 1.00 0.00 C ATOM 1330 O LYS A 85 8.692 9.709 2.895 1.00 0.00 O ATOM 1331 CB LYS A 85 8.252 12.406 0.975 1.00 0.00 C ATOM 1332 CG LYS A 85 7.387 12.736 2.179 1.00 0.00 C ATOM 1333 CD LYS A 85 5.910 12.719 1.826 1.00 0.00 C ATOM 1334 CE LYS A 85 5.038 12.819 3.069 1.00 0.00 C ATOM 1335 NZ LYS A 85 4.723 11.478 3.635 1.00 0.00 N ATOM 0 H LYS A 85 6.657 10.201 1.390 1.00 0.00 H new ATOM 0 HA LYS A 85 9.188 10.761 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.195 12.947 1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.756 12.764 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.580 12.017 2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.658 13.719 2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.686 13.548 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.674 11.801 1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.547 13.421 3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.111 13.336 2.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.401 11.583 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.972 11.031 3.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.575 10.882 3.611 1.00 0.00 H new ATOM 1349 N ALA A 86 10.556 10.739 2.169 1.00 0.00 N ATOM 1350 CA ALA A 86 11.365 10.315 3.305 1.00 0.00 C ATOM 1351 C ALA A 86 11.036 11.133 4.549 1.00 0.00 C ATOM 1352 O ALA A 86 11.321 12.330 4.609 1.00 0.00 O ATOM 1353 CB ALA A 86 12.845 10.429 2.972 1.00 0.00 C ATOM 0 H ALA A 86 11.055 11.308 1.485 1.00 0.00 H new ATOM 0 HA ALA A 86 11.131 9.271 3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.437 10.109 3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.075 9.795 2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.085 11.465 2.732 1.00 0.00 H new ATOM 1359 N ILE A 87 10.435 10.481 5.539 1.00 0.00 N ATOM 1360 CA ILE A 87 10.068 11.150 6.781 1.00 0.00 C ATOM 1361 C ILE A 87 11.094 10.878 7.875 1.00 0.00 C ATOM 1362 O ILE A 87 11.937 9.990 7.743 1.00 0.00 O ATOM 1363 CB ILE A 87 8.679 10.701 7.273 1.00 0.00 C ATOM 1364 CG1 ILE A 87 8.626 9.177 7.397 1.00 0.00 C ATOM 1365 CG2 ILE A 87 7.596 11.199 6.327 1.00 0.00 C ATOM 1366 CD1 ILE A 87 7.580 8.687 8.374 1.00 0.00 C ATOM 0 H ILE A 87 10.192 9.491 5.505 1.00 0.00 H new ATOM 0 HA ILE A 87 10.041 12.219 6.568 1.00 0.00 H new ATOM 0 HB ILE A 87 8.501 11.133 8.258 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.425 8.747 6.416 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.604 8.812 7.710 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.620 10.874 6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.623 12.288 6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.768 10.792 5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.599 7.598 8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.792 9.088 9.365 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.595 9.022 8.050 1.00 0.00 H new ATOM 1378 N ARG A 88 11.016 11.647 8.957 1.00 0.00 N ATOM 1379 CA ARG A 88 11.938 11.488 10.075 1.00 0.00 C ATOM 1380 C ARG A 88 13.380 11.707 9.626 1.00 0.00 C ATOM 1381 O ARG A 88 14.301 11.062 10.124 1.00 0.00 O ATOM 1382 CB ARG A 88 11.791 10.096 10.692 1.00 0.00 C ATOM 1383 CG ARG A 88 10.403 9.821 11.248 1.00 0.00 C ATOM 1384 CD ARG A 88 10.078 8.335 11.221 1.00 0.00 C ATOM 1385 NE ARG A 88 10.588 7.642 12.401 1.00 0.00 N ATOM 1386 CZ ARG A 88 10.161 7.881 13.636 1.00 0.00 C ATOM 1387 NH1 ARG A 88 9.220 8.791 13.851 1.00 0.00 N ATOM 1388 NH2 ARG A 88 10.674 7.209 14.659 1.00 0.00 N ATOM 0 H ARG A 88 10.324 12.386 9.083 1.00 0.00 H new ATOM 0 HA ARG A 88 11.691 12.239 10.826 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.026 9.346 9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.523 9.983 11.492 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.340 10.190 12.272 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.661 10.368 10.666 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.998 8.201 11.161 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.505 7.887 10.324 1.00 0.00 H new ATOM 0 HE ARG A 88 11.312 6.936 12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.823 9.309 13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.894 8.973 14.800 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.397 6.508 14.498 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.345 7.394 15.607 1.00 0.00 H new ATOM 1402 N GLY A 89 13.568 12.622 8.679 1.00 0.00 N ATOM 1403 CA GLY A 89 14.899 12.909 8.178 1.00 0.00 C ATOM 1404 C GLY A 89 15.308 11.980 7.052 1.00 0.00 C ATOM 1405 O GLY A 89 16.010 12.386 6.127 1.00 0.00 O ATOM 0 H GLY A 89 12.822 13.169 8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.937 13.940 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.617 12.824 8.994 1.00 0.00 H new ATOM 1409 N GLY A 90 14.868 10.728 7.131 1.00 0.00 N ATOM 1410 CA GLY A 90 15.204 9.757 6.106 1.00 0.00 C ATOM 1411 C GLY A 90 15.459 8.376 6.675 1.00 0.00 C ATOM 1412 O GLY A 90 16.515 7.786 6.444 1.00 0.00 O ATOM 0 H GLY A 90 14.285 10.369 7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.392 9.703 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.090 10.094 5.568 1.00 0.00 H new ATOM 1416 N THR A 91 14.491 7.858 7.424 1.00 0.00 N ATOM 1417 CA THR A 91 14.616 6.539 8.031 1.00 0.00 C ATOM 1418 C THR A 91 13.544 5.590 7.510 1.00 0.00 C ATOM 1419 O THR A 91 13.763 4.382 7.417 1.00 0.00 O ATOM 1420 CB THR A 91 14.516 6.615 9.566 1.00 0.00 C ATOM 1421 OG1 THR A 91 15.593 7.401 10.089 1.00 0.00 O ATOM 1422 CG2 THR A 91 14.552 5.224 10.181 1.00 0.00 C ATOM 0 H THR A 91 13.611 8.333 7.625 1.00 0.00 H new ATOM 0 HA THR A 91 15.599 6.157 7.757 1.00 0.00 H new ATOM 0 HB THR A 91 13.566 7.084 9.823 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.521 7.446 11.065 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.480 5.304 11.266 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.714 4.638 9.804 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.488 4.733 9.915 1.00 0.00 H new ATOM 1430 N ALA A 92 12.385 6.143 7.170 1.00 0.00 N ATOM 1431 CA ALA A 92 11.279 5.345 6.655 1.00 0.00 C ATOM 1432 C ALA A 92 10.385 6.173 5.738 1.00 0.00 C ATOM 1433 O ALA A 92 10.323 7.397 5.855 1.00 0.00 O ATOM 1434 CB ALA A 92 10.467 4.764 7.803 1.00 0.00 C ATOM 0 H ALA A 92 12.187 7.141 7.242 1.00 0.00 H new ATOM 0 HA ALA A 92 11.697 4.526 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.645 4.171 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.107 4.130 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.067 5.574 8.412 1.00 0.00 H new ATOM 1440 N SER A 93 9.694 5.498 4.826 1.00 0.00 N ATOM 1441 CA SER A 93 8.806 6.172 3.886 1.00 0.00 C ATOM 1442 C SER A 93 7.351 6.054 4.332 1.00 0.00 C ATOM 1443 O SER A 93 6.942 5.036 4.888 1.00 0.00 O ATOM 1444 CB SER A 93 8.970 5.582 2.483 1.00 0.00 C ATOM 1445 OG SER A 93 8.139 6.249 1.549 1.00 0.00 O ATOM 0 H SER A 93 9.732 4.484 4.718 1.00 0.00 H new ATOM 0 HA SER A 93 9.077 7.228 3.863 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.011 5.663 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.724 4.520 2.500 1.00 0.00 H new ATOM 0 HG SER A 93 7.389 5.667 1.304 1.00 0.00 H new ATOM 1451 N MET A 94 6.576 7.104 4.083 1.00 0.00 N ATOM 1452 CA MET A 94 5.167 7.119 4.458 1.00 0.00 C ATOM 1453 C MET A 94 4.304 7.630 3.308 1.00 0.00 C ATOM 1454 O MET A 94 4.723 8.501 2.545 1.00 0.00 O ATOM 1455 CB MET A 94 4.955 7.991 5.697 1.00 0.00 C ATOM 1456 CG MET A 94 3.665 7.686 6.441 1.00 0.00 C ATOM 1457 SD MET A 94 2.208 8.328 5.596 1.00 0.00 S ATOM 1458 CE MET A 94 2.429 10.090 5.830 1.00 0.00 C ATOM 0 H MET A 94 6.900 7.955 3.623 1.00 0.00 H new ATOM 0 HA MET A 94 4.867 6.096 4.688 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.797 7.855 6.376 1.00 0.00 H new ATOM 0 HB3 MET A 94 4.953 9.039 5.398 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.565 6.607 6.560 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.718 8.114 7.442 1.00 0.00 H new ATOM 0 HE1 MET A 94 1.587 10.490 6.395 1.00 0.00 H new ATOM 0 HE2 MET A 94 3.353 10.271 6.378 1.00 0.00 H new ATOM 0 HE3 MET A 94 2.481 10.582 4.859 1.00 0.00 H new ATOM 1468 N CYS A 95 3.098 7.085 3.191 1.00 0.00 N ATOM 1469 CA CYS A 95 2.177 7.486 2.134 1.00 0.00 C ATOM 1470 C CYS A 95 0.751 7.056 2.464 1.00 0.00 C ATOM 1471 O CYS A 95 0.528 5.977 3.013 1.00 0.00 O ATOM 1472 CB CYS A 95 2.608 6.882 0.797 1.00 0.00 C ATOM 1473 SG CYS A 95 1.300 6.840 -0.451 1.00 0.00 S ATOM 0 H CYS A 95 2.735 6.364 3.815 1.00 0.00 H new ATOM 0 HA CYS A 95 2.201 8.573 2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.449 7.454 0.407 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.965 5.866 0.968 1.00 0.00 H new ATOM 0 HG CYS A 95 1.832 6.750 -1.634 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.211 7.908 2.126 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.616 7.618 2.386 1.00 0.00 C ATOM 1481 C VAL A 96 -2.354 7.275 1.097 1.00 0.00 C ATOM 1482 O VAL A 96 -2.012 7.769 0.022 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.319 8.808 3.066 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.782 8.485 3.328 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.607 9.179 4.358 1.00 0.00 C ATOM 0 H VAL A 96 -0.043 8.805 1.671 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.643 6.759 3.056 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.276 9.666 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.262 9.337 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.282 8.272 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.851 7.614 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.117 10.021 4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.618 8.326 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.576 9.455 4.139 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.370 6.426 1.211 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.158 6.015 0.055 1.00 0.00 C ATOM 1497 C PHE A 97 -5.592 6.522 0.166 1.00 0.00 C ATOM 1498 O PHE A 97 -6.156 6.586 1.259 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.152 4.491 -0.078 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.827 3.932 -0.510 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.726 3.995 0.329 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.681 3.342 -1.756 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.505 3.482 -0.066 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.463 2.827 -2.156 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.374 2.896 -1.310 1.00 0.00 C ATOM 0 H PHE A 97 -3.667 6.009 2.093 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.705 6.452 -0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.429 4.050 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.915 4.194 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.823 4.451 1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.529 3.284 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.346 3.539 0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.363 2.371 -3.130 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.579 2.493 -1.620 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.177 6.882 -0.972 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.545 7.385 -1.003 1.00 0.00 C ATOM 1517 C ARG A 98 -8.284 6.876 -2.237 1.00 0.00 C ATOM 1518 O ARG A 98 -7.664 6.455 -3.215 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.549 8.915 -0.987 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.319 9.538 -2.354 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.151 11.046 -2.258 1.00 0.00 C ATOM 1522 NE ARG A 98 -7.079 11.675 -3.574 1.00 0.00 N ATOM 1523 CZ ARG A 98 -6.904 12.978 -3.758 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -6.783 13.788 -2.714 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -6.849 13.475 -4.987 1.00 0.00 N ATOM 0 H ARG A 98 -5.725 6.835 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.061 7.018 -0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.504 9.263 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.776 9.265 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.431 9.100 -2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.160 9.305 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.986 11.469 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.245 11.275 -1.697 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.168 11.080 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.824 13.410 -1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.649 14.789 -2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.941 12.856 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.715 14.476 -5.127 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.611 6.917 -2.185 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.435 6.460 -3.299 1.00 0.00 C ATOM 1541 C HIS A 99 -10.598 7.562 -4.341 1.00 0.00 C ATOM 1542 O HIS A 99 -10.950 8.696 -4.012 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.807 6.011 -2.796 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.543 5.138 -3.764 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -12.839 5.526 -5.053 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.043 3.887 -3.625 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -13.491 4.553 -5.665 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -13.627 3.547 -4.820 1.00 0.00 N ATOM 0 H HIS A 99 -10.139 7.262 -1.384 1.00 0.00 H new ATOM 0 HA HIS A 99 -9.933 5.613 -3.766 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.682 5.473 -1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.412 6.892 -2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.992 3.272 -2.739 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -13.851 4.576 -6.683 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.091 2.661 -5.022 1.00 0.00 H new ATOM 1557 N LEU A 100 -10.339 7.222 -5.599 1.00 0.00 N ATOM 1558 CA LEU A 100 -10.457 8.183 -6.691 1.00 0.00 C ATOM 1559 C LEU A 100 -11.597 9.162 -6.434 1.00 0.00 C ATOM 1560 O LEU A 100 -12.724 8.757 -6.147 1.00 0.00 O ATOM 1561 CB LEU A 100 -10.684 7.454 -8.016 1.00 0.00 C ATOM 1562 CG LEU A 100 -9.496 6.658 -8.557 1.00 0.00 C ATOM 1563 CD1 LEU A 100 -9.976 5.505 -9.426 1.00 0.00 C ATOM 1564 CD2 LEU A 100 -8.559 7.565 -9.341 1.00 0.00 C ATOM 0 H LEU A 100 -10.046 6.289 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.526 8.746 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.526 6.773 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.975 8.189 -8.767 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.946 6.244 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.116 4.950 -9.802 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.606 4.841 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.550 5.897 -10.266 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.719 6.982 -9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.098 8.009 -10.178 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.188 8.355 -8.689 1.00 0.00 H new ATOM 1576 N SER A 101 -11.298 10.453 -6.541 1.00 0.00 N ATOM 1577 CA SER A 101 -12.298 11.491 -6.319 1.00 0.00 C ATOM 1578 C SER A 101 -13.501 11.291 -7.236 1.00 0.00 C ATOM 1579 O SER A 101 -13.542 10.352 -8.031 1.00 0.00 O ATOM 1580 CB SER A 101 -11.688 12.874 -6.553 1.00 0.00 C ATOM 1581 OG SER A 101 -12.443 13.881 -5.901 1.00 0.00 O ATOM 0 H SER A 101 -10.371 10.805 -6.780 1.00 0.00 H new ATOM 0 HA SER A 101 -12.636 11.421 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.662 12.889 -6.186 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.647 13.081 -7.622 1.00 0.00 H new ATOM 0 HG SER A 101 -12.032 14.755 -6.064 1.00 0.00 H new ATOM 1587 N LYS A 102 -14.480 12.182 -7.119 1.00 0.00 N ATOM 1588 CA LYS A 102 -15.685 12.107 -7.937 1.00 0.00 C ATOM 1589 C LYS A 102 -15.332 11.944 -9.412 1.00 0.00 C ATOM 1590 O LYS A 102 -16.115 11.402 -10.192 1.00 0.00 O ATOM 1591 CB LYS A 102 -16.538 13.362 -7.741 1.00 0.00 C ATOM 1592 CG LYS A 102 -15.952 14.603 -8.392 1.00 0.00 C ATOM 1593 CD LYS A 102 -14.946 15.288 -7.482 1.00 0.00 C ATOM 1594 CE LYS A 102 -14.644 16.703 -7.951 1.00 0.00 C ATOM 1595 NZ LYS A 102 -15.843 17.582 -7.874 1.00 0.00 N ATOM 0 H LYS A 102 -14.462 12.965 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 102 -16.256 11.234 -7.620 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.533 13.183 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.660 13.545 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.468 14.329 -9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.754 15.299 -8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -15.335 15.316 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.024 14.708 -7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.845 17.125 -7.341 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.280 16.675 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.542 18.576 -7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.428 17.446 -8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -16.398 17.339 -7.028 1.00 0.00 H new ATOM 1609 N LYS A 103 -14.148 12.416 -9.788 1.00 0.00 N ATOM 1610 CA LYS A 103 -13.690 12.320 -11.169 1.00 0.00 C ATOM 1611 C LYS A 103 -12.746 11.135 -11.348 1.00 0.00 C ATOM 1612 O LYS A 103 -12.167 10.640 -10.382 1.00 0.00 O ATOM 1613 CB LYS A 103 -12.986 13.614 -11.584 1.00 0.00 C ATOM 1614 CG LYS A 103 -13.093 13.915 -13.069 1.00 0.00 C ATOM 1615 CD LYS A 103 -14.450 14.500 -13.423 1.00 0.00 C ATOM 1616 CE LYS A 103 -14.491 16.001 -13.178 1.00 0.00 C ATOM 1617 NZ LYS A 103 -13.725 16.752 -14.212 1.00 0.00 N ATOM 0 H LYS A 103 -13.488 12.869 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 103 -14.561 12.167 -11.806 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.411 14.445 -11.022 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -11.933 13.549 -11.310 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.308 14.614 -13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.930 13.000 -13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.674 14.295 -14.470 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -15.224 14.012 -12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.527 16.341 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.081 16.220 -12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.953 17.765 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.706 16.615 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -13.981 16.401 -15.157 1.00 0.00 H new ATOM 1631 N GLU A 104 -12.596 10.687 -12.590 1.00 0.00 N ATOM 1632 CA GLU A 104 -11.721 9.560 -12.895 1.00 0.00 C ATOM 1633 C GLU A 104 -12.215 8.288 -12.211 1.00 0.00 C ATOM 1634 O GLU A 104 -11.450 7.595 -11.541 1.00 0.00 O ATOM 1635 CB GLU A 104 -10.288 9.865 -12.454 1.00 0.00 C ATOM 1636 CG GLU A 104 -9.456 10.554 -13.523 1.00 0.00 C ATOM 1637 CD GLU A 104 -9.685 12.053 -13.565 1.00 0.00 C ATOM 1638 OE1 GLU A 104 -9.293 12.740 -12.599 1.00 0.00 O ATOM 1639 OE2 GLU A 104 -10.256 12.537 -14.564 1.00 0.00 O ATOM 0 H GLU A 104 -13.068 11.086 -13.401 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.736 9.402 -13.973 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.317 10.495 -11.565 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.799 8.934 -12.169 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.400 10.357 -13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.696 10.126 -14.496 1.00 0.00 H new ATOM 1646 N GLU A 105 -13.498 7.989 -12.387 1.00 0.00 N ATOM 1647 CA GLU A 105 -14.094 6.802 -11.786 1.00 0.00 C ATOM 1648 C GLU A 105 -13.448 5.532 -12.334 1.00 0.00 C ATOM 1649 O GLU A 105 -13.059 4.643 -11.576 1.00 0.00 O ATOM 1650 CB GLU A 105 -15.602 6.773 -12.047 1.00 0.00 C ATOM 1651 CG GLU A 105 -16.377 7.810 -11.252 1.00 0.00 C ATOM 1652 CD GLU A 105 -16.509 9.130 -11.987 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -15.505 9.868 -12.068 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -17.618 9.424 -12.482 1.00 0.00 O ATOM 0 H GLU A 105 -14.144 8.552 -12.940 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.919 6.844 -10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.781 6.934 -13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.985 5.782 -11.806 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.371 7.422 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.878 7.978 -10.298 1.00 0.00 H new ATOM 1661 N LYS A 106 -13.338 5.455 -13.656 1.00 0.00 N ATOM 1662 CA LYS A 106 -12.739 4.296 -14.307 1.00 0.00 C ATOM 1663 C LYS A 106 -13.404 3.005 -13.840 1.00 0.00 C ATOM 1664 O LYS A 106 -12.728 2.027 -13.521 1.00 0.00 O ATOM 1665 CB LYS A 106 -11.238 4.242 -14.018 1.00 0.00 C ATOM 1666 CG LYS A 106 -10.437 3.524 -15.091 1.00 0.00 C ATOM 1667 CD LYS A 106 -8.948 3.553 -14.789 1.00 0.00 C ATOM 1668 CE LYS A 106 -8.153 2.779 -15.829 1.00 0.00 C ATOM 1669 NZ LYS A 106 -8.103 3.495 -17.134 1.00 0.00 N ATOM 0 H LYS A 106 -13.656 6.182 -14.297 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.893 4.395 -15.382 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.860 5.259 -13.914 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.078 3.743 -13.062 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.774 2.490 -15.167 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.622 3.991 -16.058 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.602 4.586 -14.760 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.768 3.128 -13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.139 2.617 -15.464 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.601 1.796 -15.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.524 2.952 -17.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.067 3.597 -17.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.683 4.437 -16.998 1.00 0.00 H new ATOM 1683 N SER A 107 -14.733 3.008 -13.804 1.00 0.00 N ATOM 1684 CA SER A 107 -15.489 1.838 -13.373 1.00 0.00 C ATOM 1685 C SER A 107 -16.814 1.742 -14.123 1.00 0.00 C ATOM 1686 O SER A 107 -17.708 2.566 -13.936 1.00 0.00 O ATOM 1687 CB SER A 107 -15.746 1.897 -11.866 1.00 0.00 C ATOM 1688 OG SER A 107 -16.263 0.666 -11.389 1.00 0.00 O ATOM 0 H SER A 107 -15.308 3.808 -14.068 1.00 0.00 H new ATOM 0 HA SER A 107 -14.898 0.950 -13.599 1.00 0.00 H new ATOM 0 HB2 SER A 107 -14.818 2.132 -11.344 1.00 0.00 H new ATOM 0 HB3 SER A 107 -16.449 2.700 -11.645 1.00 0.00 H new ATOM 0 HG SER A 107 -16.417 0.728 -10.423 1.00 0.00 H new ATOM 1694 N GLY A 108 -16.933 0.727 -14.974 1.00 0.00 N ATOM 1695 CA GLY A 108 -18.151 0.540 -15.740 1.00 0.00 C ATOM 1696 C GLY A 108 -19.398 0.812 -14.922 1.00 0.00 C ATOM 1697 O GLY A 108 -19.835 -0.016 -14.123 1.00 0.00 O ATOM 0 H GLY A 108 -16.207 0.031 -15.146 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -18.137 1.202 -16.606 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -18.185 -0.481 -16.119 1.00 0.00 H new ATOM 1701 N PRO A 109 -19.992 1.999 -15.118 1.00 0.00 N ATOM 1702 CA PRO A 109 -21.203 2.406 -14.400 1.00 0.00 C ATOM 1703 C PRO A 109 -22.430 1.610 -14.835 1.00 0.00 C ATOM 1704 O PRO A 109 -22.525 1.177 -15.983 1.00 0.00 O ATOM 1705 CB PRO A 109 -21.361 3.880 -14.778 1.00 0.00 C ATOM 1706 CG PRO A 109 -20.669 4.011 -16.091 1.00 0.00 C ATOM 1707 CD PRO A 109 -19.526 3.034 -16.055 1.00 0.00 C ATOM 0 HA PRO A 109 -21.118 2.234 -13.327 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -22.412 4.158 -14.855 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -20.913 4.531 -14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -21.348 3.788 -16.914 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -20.308 5.028 -16.242 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -19.320 2.619 -17.042 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -18.606 3.505 -15.709 1.00 0.00 H new ATOM 1715 N SER A 110 -23.366 1.422 -13.911 1.00 0.00 N ATOM 1716 CA SER A 110 -24.585 0.675 -14.198 1.00 0.00 C ATOM 1717 C SER A 110 -25.821 1.507 -13.871 1.00 0.00 C ATOM 1718 O SER A 110 -26.756 1.025 -13.231 1.00 0.00 O ATOM 1719 CB SER A 110 -24.609 -0.630 -13.401 1.00 0.00 C ATOM 1720 OG SER A 110 -23.745 -1.595 -13.977 1.00 0.00 O ATOM 0 H SER A 110 -23.304 1.777 -12.957 1.00 0.00 H new ATOM 0 HA SER A 110 -24.596 0.442 -15.263 1.00 0.00 H new ATOM 0 HB2 SER A 110 -24.308 -0.437 -12.371 1.00 0.00 H new ATOM 0 HB3 SER A 110 -25.626 -1.021 -13.368 1.00 0.00 H new ATOM 0 HG SER A 110 -23.777 -2.420 -13.448 1.00 0.00 H new ATOM 1726 N SER A 111 -25.818 2.760 -14.314 1.00 0.00 N ATOM 1727 CA SER A 111 -26.937 3.662 -14.066 1.00 0.00 C ATOM 1728 C SER A 111 -28.113 3.333 -14.980 1.00 0.00 C ATOM 1729 O SER A 111 -27.993 3.372 -16.204 1.00 0.00 O ATOM 1730 CB SER A 111 -26.505 5.114 -14.275 1.00 0.00 C ATOM 1731 OG SER A 111 -26.144 5.350 -15.624 1.00 0.00 O ATOM 0 H SER A 111 -25.053 3.174 -14.847 1.00 0.00 H new ATOM 0 HA SER A 111 -27.255 3.530 -13.032 1.00 0.00 H new ATOM 0 HB2 SER A 111 -27.317 5.783 -13.990 1.00 0.00 H new ATOM 0 HB3 SER A 111 -25.661 5.343 -13.624 1.00 0.00 H new ATOM 0 HG SER A 111 -26.610 4.712 -16.204 1.00 0.00 H new ATOM 1737 N GLY A 112 -29.252 3.007 -14.376 1.00 0.00 N ATOM 1738 CA GLY A 112 -30.434 2.675 -15.149 1.00 0.00 C ATOM 1739 C GLY A 112 -31.716 3.102 -14.461 1.00 0.00 C ATOM 1740 O GLY A 112 -32.620 2.291 -14.261 1.00 0.00 O ATOM 0 H GLY A 112 -29.377 2.967 -13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -30.372 3.155 -16.126 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -30.460 1.599 -15.324 1.00 0.00 H new TER 1744 GLY A 112