USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 624 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 7 THR OG1 : rot 133:sc= 0.294 USER MOD Set 1.2: A 42 HIS : no HE2:sc= 1.05 K(o=1.3,f=-6.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.131) USER MOD Single : A 6 MET CE :methyl -163:sc= -0.0826 (180deg=-0.604) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.069 X(o=-0.069,f=0) USER MOD Single : A 13 MET CE :methyl -168:sc= 0 (180deg=-0.243) USER MOD Single : A 16 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.4) USER MOD Single : A 17 ASN : amide:sc= -0.0641 K(o=-0.064,f=-0.7) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -95:sc= 1.28 USER MOD Single : A 28 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0793) USER MOD Single : A 43 GLN : amide:sc= -0.957 X(o=-0.96,f=-1.4) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 162:sc= -0.124 (180deg=-0.666) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 53 TYR OH : rot 68:sc= 0.165 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0717 K(o=-0.072,f=-0.81) USER MOD Single : A 57 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.17) USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.521 USER MOD Single : A 62 THR OG1 : rot 79:sc= 0.93 USER MOD Single : A 63 ASN : amide:sc= -0.0284 K(o=-0.028,f=-0.53) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 39:sc= 0.588 USER MOD Single : A 70 MET CE :methyl -167:sc= -0.0359 (180deg=-0.327) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HE2:sc= 0.0165 K(o=0.016,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.612 -9.370 -0.549 1.00 64.43 N ATOM 2 CA MET A 1 18.147 -9.202 -0.766 1.00 24.21 C ATOM 3 C MET A 1 17.602 -10.262 -1.735 1.00 75.35 C ATOM 4 O MET A 1 18.066 -10.373 -2.871 1.00 62.42 O ATOM 5 CB MET A 1 17.846 -7.800 -1.316 1.00 13.15 C ATOM 6 CG MET A 1 18.250 -6.664 -0.383 1.00 33.13 C ATOM 7 SD MET A 1 17.851 -5.040 -1.064 1.00 31.24 S ATOM 8 CE MET A 1 18.457 -3.959 0.234 1.00 24.44 C ATOM 0 H1 MET A 1 19.917 -8.768 0.243 1.00 64.43 H new ATOM 0 H2 MET A 1 19.818 -10.365 -0.327 1.00 64.43 H new ATOM 0 H3 MET A 1 20.125 -9.094 -1.411 1.00 64.43 H new ATOM 0 HA MET A 1 17.653 -9.328 0.198 1.00 24.21 H new ATOM 0 HB2 MET A 1 18.364 -7.676 -2.267 1.00 13.15 H new ATOM 0 HB3 MET A 1 16.778 -7.724 -1.522 1.00 13.15 H new ATOM 0 HG2 MET A 1 17.745 -6.787 0.575 1.00 33.13 H new ATOM 0 HG3 MET A 1 19.321 -6.720 -0.189 1.00 33.13 H new ATOM 0 HE1 MET A 1 18.280 -2.920 -0.045 1.00 24.44 H new ATOM 0 HE2 MET A 1 17.934 -4.179 1.165 1.00 24.44 H new ATOM 0 HE3 MET A 1 19.526 -4.120 0.372 1.00 24.44 H new ATOM 20 N ALA A 2 16.620 -11.042 -1.285 1.00 15.03 N ATOM 21 CA ALA A 2 15.996 -12.066 -2.135 1.00 22.24 C ATOM 22 C ALA A 2 14.572 -12.413 -1.670 1.00 61.11 C ATOM 23 O ALA A 2 14.385 -13.061 -0.638 1.00 1.43 O ATOM 24 CB ALA A 2 16.865 -13.322 -2.167 1.00 55.12 C ATOM 0 H ALA A 2 16.238 -10.988 -0.341 1.00 15.03 H new ATOM 0 HA ALA A 2 15.917 -11.655 -3.141 1.00 22.24 H new ATOM 0 HB1 ALA A 2 16.394 -14.074 -2.799 1.00 55.12 H new ATOM 0 HB2 ALA A 2 17.848 -13.074 -2.568 1.00 55.12 H new ATOM 0 HB3 ALA A 2 16.974 -13.715 -1.156 1.00 55.12 H new ATOM 30 N GLY A 3 13.568 -11.972 -2.426 1.00 54.13 N ATOM 31 CA GLY A 3 12.184 -12.314 -2.108 1.00 70.53 C ATOM 32 C GLY A 3 11.176 -11.238 -2.500 1.00 22.52 C ATOM 33 O GLY A 3 10.162 -11.527 -3.135 1.00 75.13 O ATOM 0 H GLY A 3 13.684 -11.385 -3.252 1.00 54.13 H new ATOM 0 HA2 GLY A 3 11.924 -13.243 -2.615 1.00 70.53 H new ATOM 0 HA3 GLY A 3 12.103 -12.501 -1.037 1.00 70.53 H new ATOM 37 N ASP A 4 11.458 -9.995 -2.128 1.00 54.52 N ATOM 38 CA ASP A 4 10.524 -8.886 -2.348 1.00 15.50 C ATOM 39 C ASP A 4 10.822 -8.119 -3.653 1.00 53.34 C ATOM 40 O ASP A 4 11.920 -7.582 -3.833 1.00 32.03 O ATOM 41 CB ASP A 4 10.577 -7.936 -1.148 1.00 34.32 C ATOM 42 CG ASP A 4 9.817 -6.638 -1.371 1.00 64.54 C ATOM 43 OD1 ASP A 4 8.668 -6.685 -1.852 1.00 63.15 O ATOM 44 OD2 ASP A 4 10.371 -5.567 -1.055 1.00 72.24 O ATOM 0 H ASP A 4 12.328 -9.724 -1.670 1.00 54.52 H new ATOM 0 HA ASP A 4 9.523 -9.304 -2.450 1.00 15.50 H new ATOM 0 HB2 ASP A 4 10.167 -8.443 -0.274 1.00 34.32 H new ATOM 0 HB3 ASP A 4 11.618 -7.705 -0.923 1.00 34.32 H new ATOM 49 N PRO A 5 9.845 -8.070 -4.584 1.00 11.34 N ATOM 50 CA PRO A 5 9.957 -7.283 -5.820 1.00 53.34 C ATOM 51 C PRO A 5 9.438 -5.835 -5.671 1.00 24.54 C ATOM 52 O PRO A 5 9.269 -5.128 -6.666 1.00 33.45 O ATOM 53 CB PRO A 5 9.071 -8.077 -6.780 1.00 32.03 C ATOM 54 CG PRO A 5 7.979 -8.629 -5.916 1.00 0.14 C ATOM 55 CD PRO A 5 8.565 -8.807 -4.530 1.00 71.55 C ATOM 0 HA PRO A 5 10.991 -7.160 -6.143 1.00 53.34 H new ATOM 0 HB2 PRO A 5 8.669 -7.440 -7.568 1.00 32.03 H new ATOM 0 HB3 PRO A 5 9.631 -8.874 -7.269 1.00 32.03 H new ATOM 0 HG2 PRO A 5 7.126 -7.951 -5.891 1.00 0.14 H new ATOM 0 HG3 PRO A 5 7.619 -9.580 -6.309 1.00 0.14 H new ATOM 0 HD2 PRO A 5 7.904 -8.403 -3.763 1.00 71.55 H new ATOM 0 HD3 PRO A 5 8.721 -9.860 -4.295 1.00 71.55 H new ATOM 63 N MET A 6 9.179 -5.408 -4.429 1.00 21.12 N ATOM 64 CA MET A 6 8.719 -4.038 -4.134 1.00 54.33 C ATOM 65 C MET A 6 7.371 -3.724 -4.814 1.00 61.33 C ATOM 66 O MET A 6 7.229 -2.704 -5.487 1.00 13.23 O ATOM 67 CB MET A 6 9.781 -3.005 -4.568 1.00 12.30 C ATOM 68 CG MET A 6 11.145 -3.205 -3.922 1.00 75.32 C ATOM 69 SD MET A 6 12.339 -1.937 -4.398 1.00 34.31 S ATOM 70 CE MET A 6 12.387 -2.149 -6.179 1.00 35.13 C ATOM 0 H MET A 6 9.280 -5.996 -3.602 1.00 21.12 H new ATOM 0 HA MET A 6 8.572 -3.972 -3.056 1.00 54.33 H new ATOM 0 HB2 MET A 6 9.894 -3.050 -5.651 1.00 12.30 H new ATOM 0 HB3 MET A 6 9.420 -2.005 -4.326 1.00 12.30 H new ATOM 0 HG2 MET A 6 11.032 -3.202 -2.838 1.00 75.32 H new ATOM 0 HG3 MET A 6 11.533 -4.185 -4.200 1.00 75.32 H new ATOM 0 HE1 MET A 6 13.277 -1.664 -6.579 1.00 35.13 H new ATOM 0 HE2 MET A 6 12.414 -3.212 -6.418 1.00 35.13 H new ATOM 0 HE3 MET A 6 11.499 -1.700 -6.623 1.00 35.13 H new ATOM 80 N THR A 7 6.376 -4.590 -4.610 1.00 12.34 N ATOM 81 CA THR A 7 5.060 -4.433 -5.260 1.00 2.32 C ATOM 82 C THR A 7 4.377 -3.109 -4.878 1.00 65.30 C ATOM 83 O THR A 7 3.976 -2.333 -5.748 1.00 52.33 O ATOM 84 CB THR A 7 4.104 -5.602 -4.915 1.00 52.41 C ATOM 85 OG1 THR A 7 3.805 -5.602 -3.507 1.00 30.23 O ATOM 86 CG2 THR A 7 4.718 -6.943 -5.308 1.00 4.21 C ATOM 0 H THR A 7 6.450 -5.407 -4.003 1.00 12.34 H new ATOM 0 HA THR A 7 5.260 -4.433 -6.332 1.00 2.32 H new ATOM 0 HB THR A 7 3.183 -5.461 -5.480 1.00 52.41 H new ATOM 0 HG1 THR A 7 2.839 -5.706 -3.378 1.00 30.23 H new ATOM 0 HG21 THR A 7 4.027 -7.747 -5.055 1.00 4.21 H new ATOM 0 HG22 THR A 7 4.911 -6.954 -6.381 1.00 4.21 H new ATOM 0 HG23 THR A 7 5.654 -7.086 -4.769 1.00 4.21 H new ATOM 94 N PHE A 8 4.241 -2.859 -3.574 1.00 30.04 N ATOM 95 CA PHE A 8 3.632 -1.614 -3.077 1.00 13.54 C ATOM 96 C PHE A 8 4.377 -0.373 -3.601 1.00 30.54 C ATOM 97 O PHE A 8 3.769 0.539 -4.169 1.00 11.24 O ATOM 98 CB PHE A 8 3.616 -1.612 -1.538 1.00 64.12 C ATOM 99 CG PHE A 8 2.953 -0.396 -0.930 1.00 61.12 C ATOM 100 CD1 PHE A 8 1.570 -0.307 -0.860 1.00 73.43 C ATOM 101 CD2 PHE A 8 3.711 0.657 -0.432 1.00 63.13 C ATOM 102 CE1 PHE A 8 0.958 0.801 -0.309 1.00 34.11 C ATOM 103 CE2 PHE A 8 3.102 1.767 0.121 1.00 43.41 C ATOM 104 CZ PHE A 8 1.725 1.840 0.182 1.00 64.22 C ATOM 0 H PHE A 8 4.543 -3.499 -2.840 1.00 30.04 H new ATOM 0 HA PHE A 8 2.608 -1.570 -3.449 1.00 13.54 H new ATOM 0 HB2 PHE A 8 3.100 -2.507 -1.189 1.00 64.12 H new ATOM 0 HB3 PHE A 8 4.642 -1.674 -1.174 1.00 64.12 H new ATOM 0 HD1 PHE A 8 0.964 -1.115 -1.242 1.00 73.43 H new ATOM 0 HD2 PHE A 8 4.789 0.607 -0.478 1.00 63.13 H new ATOM 0 HE1 PHE A 8 -0.120 0.856 -0.262 1.00 34.11 H new ATOM 0 HE2 PHE A 8 3.703 2.578 0.506 1.00 43.41 H new ATOM 0 HZ PHE A 8 1.248 2.708 0.613 1.00 64.22 H new ATOM 114 N TYR A 9 5.695 -0.355 -3.410 1.00 43.53 N ATOM 115 CA TYR A 9 6.540 0.754 -3.873 1.00 64.43 C ATOM 116 C TYR A 9 6.401 0.975 -5.391 1.00 31.00 C ATOM 117 O TYR A 9 6.294 2.111 -5.855 1.00 50.23 O ATOM 118 CB TYR A 9 8.008 0.480 -3.507 1.00 51.03 C ATOM 119 CG TYR A 9 8.966 1.600 -3.887 1.00 54.20 C ATOM 120 CD1 TYR A 9 9.154 2.696 -3.049 1.00 64.22 C ATOM 121 CD2 TYR A 9 9.680 1.559 -5.080 1.00 15.23 C ATOM 122 CE1 TYR A 9 10.024 3.715 -3.390 1.00 62.33 C ATOM 123 CE2 TYR A 9 10.552 2.575 -5.425 1.00 21.53 C ATOM 124 CZ TYR A 9 10.718 3.651 -4.578 1.00 73.25 C ATOM 125 OH TYR A 9 11.589 4.664 -4.915 1.00 54.24 O ATOM 0 H TYR A 9 6.207 -1.099 -2.935 1.00 43.53 H new ATOM 0 HA TYR A 9 6.206 1.664 -3.375 1.00 64.43 H new ATOM 0 HB2 TYR A 9 8.077 0.307 -2.433 1.00 51.03 H new ATOM 0 HB3 TYR A 9 8.328 -0.439 -3.999 1.00 51.03 H new ATOM 0 HD1 TYR A 9 8.611 2.751 -2.117 1.00 64.22 H new ATOM 0 HD2 TYR A 9 9.551 0.720 -5.748 1.00 15.23 H new ATOM 0 HE1 TYR A 9 10.159 4.557 -2.728 1.00 62.33 H new ATOM 0 HE2 TYR A 9 11.101 2.526 -6.354 1.00 21.53 H new ATOM 0 HH TYR A 9 12.000 4.467 -5.783 1.00 54.24 H new ATOM 135 N ASN A 10 6.386 -0.123 -6.152 1.00 61.21 N ATOM 136 CA ASN A 10 6.288 -0.067 -7.618 1.00 63.23 C ATOM 137 C ASN A 10 5.022 0.682 -8.075 1.00 5.14 C ATOM 138 O ASN A 10 5.043 1.408 -9.069 1.00 21.23 O ATOM 139 CB ASN A 10 6.289 -1.491 -8.192 1.00 51.12 C ATOM 140 CG ASN A 10 6.305 -1.518 -9.711 1.00 13.42 C ATOM 141 OD1 ASN A 10 7.362 -1.536 -10.331 1.00 21.23 O ATOM 142 ND2 ASN A 10 5.139 -1.525 -10.322 1.00 44.32 N ATOM 0 H ASN A 10 6.441 -1.069 -5.776 1.00 61.21 H new ATOM 0 HA ASN A 10 7.152 0.482 -7.992 1.00 63.23 H new ATOM 0 HB2 ASN A 10 7.159 -2.028 -7.815 1.00 51.12 H new ATOM 0 HB3 ASN A 10 5.407 -2.022 -7.834 1.00 51.12 H new ATOM 0 HD21 ASN A 10 5.097 -1.546 -11.341 1.00 44.32 H new ATOM 0 HD22 ASN A 10 4.277 -1.510 -9.776 1.00 44.32 H new ATOM 149 N PHE A 11 3.924 0.497 -7.347 1.00 30.31 N ATOM 150 CA PHE A 11 2.662 1.170 -7.673 1.00 54.45 C ATOM 151 C PHE A 11 2.662 2.636 -7.209 1.00 3.41 C ATOM 152 O PHE A 11 2.475 3.555 -8.008 1.00 71.25 O ATOM 153 CB PHE A 11 1.484 0.417 -7.037 1.00 20.33 C ATOM 154 CG PHE A 11 0.159 1.132 -7.168 1.00 52.34 C ATOM 155 CD1 PHE A 11 -0.388 1.387 -8.419 1.00 1.45 C ATOM 156 CD2 PHE A 11 -0.538 1.550 -6.041 1.00 73.13 C ATOM 157 CE1 PHE A 11 -1.599 2.044 -8.542 1.00 72.25 C ATOM 158 CE2 PHE A 11 -1.749 2.207 -6.161 1.00 62.31 C ATOM 159 CZ PHE A 11 -2.280 2.454 -7.412 1.00 13.51 C ATOM 0 H PHE A 11 3.879 -0.111 -6.529 1.00 30.31 H new ATOM 0 HA PHE A 11 2.554 1.165 -8.758 1.00 54.45 H new ATOM 0 HB2 PHE A 11 1.402 -0.567 -7.499 1.00 20.33 H new ATOM 0 HB3 PHE A 11 1.696 0.256 -5.980 1.00 20.33 H new ATOM 0 HD1 PHE A 11 0.139 1.068 -9.306 1.00 1.45 H new ATOM 0 HD2 PHE A 11 -0.129 1.360 -5.060 1.00 73.13 H new ATOM 0 HE1 PHE A 11 -2.012 2.236 -9.521 1.00 72.25 H new ATOM 0 HE2 PHE A 11 -2.280 2.527 -5.276 1.00 62.31 H new ATOM 0 HZ PHE A 11 -3.226 2.967 -7.507 1.00 13.51 H new ATOM 169 N ILE A 12 2.882 2.848 -5.913 1.00 0.32 N ATOM 170 CA ILE A 12 2.746 4.179 -5.313 1.00 11.32 C ATOM 171 C ILE A 12 3.745 5.201 -5.896 1.00 1.45 C ATOM 172 O ILE A 12 3.442 6.394 -5.977 1.00 71.02 O ATOM 173 CB ILE A 12 2.898 4.117 -3.768 1.00 41.41 C ATOM 174 CG1 ILE A 12 2.543 5.472 -3.132 1.00 42.11 C ATOM 175 CG2 ILE A 12 4.313 3.692 -3.372 1.00 1.21 C ATOM 176 CD1 ILE A 12 1.122 5.924 -3.397 1.00 13.24 C ATOM 0 H ILE A 12 3.155 2.117 -5.256 1.00 0.32 H new ATOM 0 HA ILE A 12 1.741 4.521 -5.562 1.00 11.32 H new ATOM 0 HB ILE A 12 2.202 3.367 -3.392 1.00 41.41 H new ATOM 0 HG12 ILE A 12 2.698 5.408 -2.055 1.00 42.11 H new ATOM 0 HG13 ILE A 12 3.230 6.230 -3.508 1.00 42.11 H new ATOM 0 HG21 ILE A 12 4.392 3.657 -2.285 1.00 1.21 H new ATOM 0 HG22 ILE A 12 4.525 2.705 -3.783 1.00 1.21 H new ATOM 0 HG23 ILE A 12 5.032 4.411 -3.765 1.00 1.21 H new ATOM 0 HD11 ILE A 12 0.951 6.887 -2.915 1.00 13.24 H new ATOM 0 HD12 ILE A 12 0.966 6.023 -4.471 1.00 13.24 H new ATOM 0 HD13 ILE A 12 0.425 5.188 -2.995 1.00 13.24 H new ATOM 188 N MET A 13 4.922 4.733 -6.322 1.00 65.33 N ATOM 189 CA MET A 13 5.971 5.628 -6.840 1.00 21.44 C ATOM 190 C MET A 13 5.475 6.474 -8.030 1.00 21.54 C ATOM 191 O MET A 13 5.930 7.601 -8.229 1.00 21.14 O ATOM 192 CB MET A 13 7.225 4.821 -7.232 1.00 75.02 C ATOM 193 CG MET A 13 7.036 3.878 -8.418 1.00 21.02 C ATOM 194 SD MET A 13 6.918 4.749 -9.994 1.00 44.33 S ATOM 195 CE MET A 13 6.669 3.383 -11.128 1.00 23.45 C ATOM 0 H MET A 13 5.175 3.745 -6.320 1.00 65.33 H new ATOM 0 HA MET A 13 6.233 6.320 -6.039 1.00 21.44 H new ATOM 0 HB2 MET A 13 8.030 5.518 -7.465 1.00 75.02 H new ATOM 0 HB3 MET A 13 7.548 4.237 -6.370 1.00 75.02 H new ATOM 0 HG2 MET A 13 7.871 3.179 -8.457 1.00 21.02 H new ATOM 0 HG3 MET A 13 6.132 3.288 -8.266 1.00 21.02 H new ATOM 0 HE1 MET A 13 6.791 3.734 -12.153 1.00 23.45 H new ATOM 0 HE2 MET A 13 7.401 2.602 -10.923 1.00 23.45 H new ATOM 0 HE3 MET A 13 5.664 2.981 -10.999 1.00 23.45 H new ATOM 205 N GLY A 14 4.523 5.934 -8.797 1.00 25.11 N ATOM 206 CA GLY A 14 3.976 6.660 -9.942 1.00 11.43 C ATOM 207 C GLY A 14 3.352 8.002 -9.562 1.00 12.42 C ATOM 208 O GLY A 14 3.382 8.956 -10.342 1.00 54.24 O ATOM 0 H GLY A 14 4.121 5.009 -8.647 1.00 25.11 H new ATOM 0 HA2 GLY A 14 4.770 6.829 -10.670 1.00 11.43 H new ATOM 0 HA3 GLY A 14 3.223 6.042 -10.430 1.00 11.43 H new ATOM 212 N PHE A 15 2.798 8.079 -8.354 1.00 13.12 N ATOM 213 CA PHE A 15 2.170 9.312 -7.858 1.00 60.34 C ATOM 214 C PHE A 15 3.220 10.373 -7.490 1.00 23.30 C ATOM 215 O PHE A 15 2.907 11.558 -7.389 1.00 63.43 O ATOM 216 CB PHE A 15 1.291 8.999 -6.638 1.00 63.05 C ATOM 217 CG PHE A 15 0.122 8.098 -6.948 1.00 43.32 C ATOM 218 CD1 PHE A 15 0.269 6.717 -6.946 1.00 44.34 C ATOM 219 CD2 PHE A 15 -1.124 8.633 -7.244 1.00 4.40 C ATOM 220 CE1 PHE A 15 -0.802 5.891 -7.230 1.00 30.25 C ATOM 221 CE2 PHE A 15 -2.197 7.810 -7.530 1.00 34.42 C ATOM 222 CZ PHE A 15 -2.036 6.438 -7.522 1.00 60.00 C ATOM 0 H PHE A 15 2.769 7.301 -7.695 1.00 13.12 H new ATOM 0 HA PHE A 15 1.551 9.717 -8.659 1.00 60.34 H new ATOM 0 HB2 PHE A 15 1.905 8.531 -5.869 1.00 63.05 H new ATOM 0 HB3 PHE A 15 0.917 9.934 -6.221 1.00 63.05 H new ATOM 0 HD1 PHE A 15 1.232 6.283 -6.720 1.00 44.34 H new ATOM 0 HD2 PHE A 15 -1.257 9.705 -7.251 1.00 4.40 H new ATOM 0 HE1 PHE A 15 -0.674 4.819 -7.224 1.00 30.25 H new ATOM 0 HE2 PHE A 15 -3.161 8.239 -7.760 1.00 34.42 H new ATOM 0 HZ PHE A 15 -2.874 5.794 -7.744 1.00 60.00 H new ATOM 232 N GLN A 16 4.464 9.938 -7.288 1.00 2.20 N ATOM 233 CA GLN A 16 5.565 10.848 -6.944 1.00 64.15 C ATOM 234 C GLN A 16 6.067 11.576 -8.202 1.00 33.12 C ATOM 235 O GLN A 16 6.508 12.723 -8.141 1.00 70.21 O ATOM 236 CB GLN A 16 6.697 10.041 -6.276 1.00 32.14 C ATOM 237 CG GLN A 16 7.770 10.872 -5.563 1.00 43.34 C ATOM 238 CD GLN A 16 8.914 11.300 -6.468 1.00 12.31 C ATOM 239 OE1 GLN A 16 8.899 12.377 -7.050 1.00 42.33 O ATOM 240 NE2 GLN A 16 9.911 10.453 -6.599 1.00 54.33 N ATOM 0 H GLN A 16 4.738 8.958 -7.356 1.00 2.20 H new ATOM 0 HA GLN A 16 5.213 11.605 -6.243 1.00 64.15 H new ATOM 0 HB2 GLN A 16 6.253 9.356 -5.553 1.00 32.14 H new ATOM 0 HB3 GLN A 16 7.182 9.430 -7.038 1.00 32.14 H new ATOM 0 HG2 GLN A 16 7.305 11.760 -5.136 1.00 43.34 H new ATOM 0 HG3 GLN A 16 8.173 10.293 -4.732 1.00 43.34 H new ATOM 0 HE21 GLN A 16 9.893 9.563 -6.100 1.00 54.33 H new ATOM 0 HE22 GLN A 16 10.702 10.686 -7.199 1.00 54.33 H new ATOM 249 N ASN A 17 5.957 10.906 -9.350 1.00 75.10 N ATOM 250 CA ASN A 17 6.427 11.457 -10.630 1.00 42.14 C ATOM 251 C ASN A 17 5.653 12.721 -11.053 1.00 73.14 C ATOM 252 O ASN A 17 6.082 13.445 -11.956 1.00 73.20 O ATOM 253 CB ASN A 17 6.325 10.393 -11.726 1.00 3.45 C ATOM 254 CG ASN A 17 7.187 9.180 -11.433 1.00 74.53 C ATOM 255 OD1 ASN A 17 8.224 9.281 -10.786 1.00 50.15 O ATOM 256 ND2 ASN A 17 6.768 8.026 -11.908 1.00 35.04 N ATOM 0 H ASN A 17 5.545 9.976 -9.423 1.00 75.10 H new ATOM 0 HA ASN A 17 7.468 11.749 -10.489 1.00 42.14 H new ATOM 0 HB2 ASN A 17 5.286 10.081 -11.831 1.00 3.45 H new ATOM 0 HB3 ASN A 17 6.625 10.827 -12.680 1.00 3.45 H new ATOM 0 HD21 ASN A 17 7.311 7.179 -11.742 1.00 35.04 H new ATOM 0 HD22 ASN A 17 5.900 7.979 -12.442 1.00 35.04 H new ATOM 263 N ASP A 18 4.519 12.978 -10.404 1.00 0.44 N ATOM 264 CA ASP A 18 3.731 14.190 -10.654 1.00 45.13 C ATOM 265 C ASP A 18 3.306 14.841 -9.329 1.00 62.34 C ATOM 266 O ASP A 18 3.149 14.161 -8.315 1.00 50.04 O ATOM 267 CB ASP A 18 2.497 13.865 -11.511 1.00 11.13 C ATOM 268 CG ASP A 18 1.647 15.095 -11.805 1.00 42.01 C ATOM 269 OD1 ASP A 18 2.211 16.126 -12.233 1.00 1.24 O ATOM 270 OD2 ASP A 18 0.414 15.035 -11.624 1.00 54.42 O ATOM 0 H ASP A 18 4.121 12.361 -9.696 1.00 0.44 H new ATOM 0 HA ASP A 18 4.355 14.896 -11.201 1.00 45.13 H new ATOM 0 HB2 ASP A 18 2.820 13.418 -12.451 1.00 11.13 H new ATOM 0 HB3 ASP A 18 1.888 13.121 -10.997 1.00 11.13 H new ATOM 275 N ASN A 19 3.123 16.161 -9.341 1.00 45.24 N ATOM 276 CA ASN A 19 2.726 16.896 -8.136 1.00 25.11 C ATOM 277 C ASN A 19 1.302 16.519 -7.689 1.00 3.34 C ATOM 278 O ASN A 19 0.328 17.191 -8.022 1.00 21.44 O ATOM 279 CB ASN A 19 2.838 18.409 -8.363 1.00 2.24 C ATOM 280 CG ASN A 19 4.267 18.840 -8.630 1.00 14.10 C ATOM 281 OD1 ASN A 19 5.031 19.120 -7.712 1.00 24.12 O ATOM 282 ND2 ASN A 19 4.643 18.906 -9.890 1.00 73.12 N ATOM 0 H ASN A 19 3.243 16.744 -10.169 1.00 45.24 H new ATOM 0 HA ASN A 19 3.410 16.613 -7.336 1.00 25.11 H new ATOM 0 HB2 ASN A 19 2.209 18.696 -9.206 1.00 2.24 H new ATOM 0 HB3 ASN A 19 2.458 18.936 -7.488 1.00 2.24 H new ATOM 0 HD21 ASN A 19 5.592 19.196 -10.124 1.00 73.12 H new ATOM 0 HD22 ASN A 19 3.985 18.667 -10.632 1.00 73.12 H new ATOM 289 N THR A 20 1.194 15.416 -6.955 1.00 61.43 N ATOM 290 CA THR A 20 -0.094 14.932 -6.437 1.00 44.34 C ATOM 291 C THR A 20 -0.086 14.890 -4.905 1.00 42.43 C ATOM 292 O THR A 20 0.978 14.767 -4.292 1.00 74.12 O ATOM 293 CB THR A 20 -0.411 13.506 -6.954 1.00 20.31 C ATOM 294 OG1 THR A 20 0.499 12.559 -6.371 1.00 34.55 O ATOM 295 CG2 THR A 20 -0.311 13.436 -8.474 1.00 63.11 C ATOM 0 H THR A 20 1.989 14.830 -6.700 1.00 61.43 H new ATOM 0 HA THR A 20 -0.855 15.628 -6.790 1.00 44.34 H new ATOM 0 HB THR A 20 -1.433 13.263 -6.663 1.00 20.31 H new ATOM 0 HG1 THR A 20 1.253 12.413 -6.979 1.00 34.55 H new ATOM 0 HG21 THR A 20 -0.539 12.424 -8.807 1.00 63.11 H new ATOM 0 HG22 THR A 20 -1.022 14.133 -8.918 1.00 63.11 H new ATOM 0 HG23 THR A 20 0.699 13.702 -8.785 1.00 63.11 H new ATOM 303 N PRO A 21 -1.263 14.990 -4.257 1.00 51.22 N ATOM 304 CA PRO A 21 -1.372 14.852 -2.791 1.00 41.11 C ATOM 305 C PRO A 21 -0.938 13.457 -2.302 1.00 13.44 C ATOM 306 O PRO A 21 -0.422 13.303 -1.192 1.00 4.34 O ATOM 307 CB PRO A 21 -2.868 15.083 -2.517 1.00 72.22 C ATOM 308 CG PRO A 21 -3.546 14.837 -3.824 1.00 21.41 C ATOM 309 CD PRO A 21 -2.570 15.269 -4.883 1.00 53.05 C ATOM 0 HA PRO A 21 -0.721 15.551 -2.266 1.00 41.11 H new ATOM 0 HB2 PRO A 21 -3.237 14.405 -1.748 1.00 72.22 H new ATOM 0 HB3 PRO A 21 -3.052 16.097 -2.162 1.00 72.22 H new ATOM 0 HG2 PRO A 21 -3.805 13.784 -3.938 1.00 21.41 H new ATOM 0 HG3 PRO A 21 -4.475 15.403 -3.895 1.00 21.41 H new ATOM 0 HD2 PRO A 21 -2.703 14.709 -5.808 1.00 53.05 H new ATOM 0 HD3 PRO A 21 -2.683 16.325 -5.131 1.00 53.05 H new ATOM 317 N PHE A 22 -1.155 12.446 -3.146 1.00 51.44 N ATOM 318 CA PHE A 22 -0.751 11.066 -2.843 1.00 51.12 C ATOM 319 C PHE A 22 0.770 10.892 -2.980 1.00 24.01 C ATOM 320 O PHE A 22 1.378 10.055 -2.307 1.00 14.51 O ATOM 321 CB PHE A 22 -1.473 10.087 -3.781 1.00 13.45 C ATOM 322 CG PHE A 22 -2.976 10.207 -3.751 1.00 2.01 C ATOM 323 CD1 PHE A 22 -3.729 9.474 -2.843 1.00 32.24 C ATOM 324 CD2 PHE A 22 -3.636 11.053 -4.632 1.00 45.32 C ATOM 325 CE1 PHE A 22 -5.106 9.581 -2.818 1.00 60.12 C ATOM 326 CE2 PHE A 22 -5.015 11.162 -4.610 1.00 15.03 C ATOM 327 CZ PHE A 22 -5.750 10.426 -3.702 1.00 32.11 C ATOM 0 H PHE A 22 -1.611 12.556 -4.052 1.00 51.44 H new ATOM 0 HA PHE A 22 -1.030 10.851 -1.811 1.00 51.12 H new ATOM 0 HB2 PHE A 22 -1.125 10.253 -4.801 1.00 13.45 H new ATOM 0 HB3 PHE A 22 -1.194 9.068 -3.511 1.00 13.45 H new ATOM 0 HD1 PHE A 22 -3.232 8.813 -2.148 1.00 32.24 H new ATOM 0 HD2 PHE A 22 -3.066 11.633 -5.343 1.00 45.32 H new ATOM 0 HE1 PHE A 22 -5.679 9.004 -2.107 1.00 60.12 H new ATOM 0 HE2 PHE A 22 -5.516 11.822 -5.302 1.00 15.03 H new ATOM 0 HZ PHE A 22 -6.827 10.510 -3.683 1.00 32.11 H new ATOM 337 N GLY A 23 1.376 11.697 -3.858 1.00 64.52 N ATOM 338 CA GLY A 23 2.820 11.649 -4.074 1.00 21.12 C ATOM 339 C GLY A 23 3.637 11.846 -2.801 1.00 34.11 C ATOM 340 O GLY A 23 4.793 11.441 -2.737 1.00 71.35 O ATOM 0 H GLY A 23 0.888 12.387 -4.428 1.00 64.52 H new ATOM 0 HA2 GLY A 23 3.080 10.688 -4.517 1.00 21.12 H new ATOM 0 HA3 GLY A 23 3.096 12.418 -4.795 1.00 21.12 H new ATOM 344 N ILE A 24 3.036 12.467 -1.789 1.00 31.55 N ATOM 345 CA ILE A 24 3.692 12.642 -0.487 1.00 52.24 C ATOM 346 C ILE A 24 4.030 11.283 0.154 1.00 10.32 C ATOM 347 O ILE A 24 5.115 11.092 0.709 1.00 53.13 O ATOM 348 CB ILE A 24 2.803 13.472 0.476 1.00 63.35 C ATOM 349 CG1 ILE A 24 2.557 14.877 -0.107 1.00 61.15 C ATOM 350 CG2 ILE A 24 3.431 13.564 1.869 1.00 2.34 C ATOM 351 CD1 ILE A 24 1.718 15.778 0.779 1.00 41.24 C ATOM 0 H ILE A 24 2.096 12.859 -1.841 1.00 31.55 H new ATOM 0 HA ILE A 24 4.622 13.184 -0.662 1.00 52.24 H new ATOM 0 HB ILE A 24 1.844 12.964 0.580 1.00 63.35 H new ATOM 0 HG12 ILE A 24 3.519 15.357 -0.288 1.00 61.15 H new ATOM 0 HG13 ILE A 24 2.064 14.776 -1.074 1.00 61.15 H new ATOM 0 HG21 ILE A 24 2.785 14.152 2.521 1.00 2.34 H new ATOM 0 HG22 ILE A 24 3.549 12.562 2.282 1.00 2.34 H new ATOM 0 HG23 ILE A 24 4.407 14.044 1.797 1.00 2.34 H new ATOM 0 HD11 ILE A 24 1.592 16.747 0.297 1.00 41.24 H new ATOM 0 HD12 ILE A 24 0.741 15.323 0.940 1.00 41.24 H new ATOM 0 HD13 ILE A 24 2.218 15.913 1.738 1.00 41.24 H new ATOM 363 N LEU A 25 3.099 10.333 0.066 1.00 60.52 N ATOM 364 CA LEU A 25 3.333 8.976 0.571 1.00 22.55 C ATOM 365 C LEU A 25 4.412 8.281 -0.275 1.00 72.30 C ATOM 366 O LEU A 25 5.320 7.638 0.255 1.00 73.43 O ATOM 367 CB LEU A 25 2.006 8.180 0.556 1.00 4.02 C ATOM 368 CG LEU A 25 1.991 6.820 1.297 1.00 74.41 C ATOM 369 CD1 LEU A 25 2.675 5.722 0.483 1.00 23.21 C ATOM 370 CD2 LEU A 25 2.631 6.945 2.680 1.00 63.33 C ATOM 0 H LEU A 25 2.178 10.475 -0.348 1.00 60.52 H new ATOM 0 HA LEU A 25 3.691 9.023 1.599 1.00 22.55 H new ATOM 0 HB2 LEU A 25 1.229 8.810 0.989 1.00 4.02 H new ATOM 0 HB3 LEU A 25 1.730 8.002 -0.483 1.00 4.02 H new ATOM 0 HG LEU A 25 0.947 6.532 1.424 1.00 74.41 H new ATOM 0 HD11 LEU A 25 2.643 4.784 1.038 1.00 23.21 H new ATOM 0 HD12 LEU A 25 2.158 5.599 -0.468 1.00 23.21 H new ATOM 0 HD13 LEU A 25 3.713 5.999 0.298 1.00 23.21 H new ATOM 0 HD21 LEU A 25 2.608 5.977 3.180 1.00 63.33 H new ATOM 0 HD22 LEU A 25 3.665 7.275 2.574 1.00 63.33 H new ATOM 0 HD23 LEU A 25 2.077 7.673 3.273 1.00 63.33 H new ATOM 382 N ALA A 26 4.314 8.442 -1.593 1.00 3.30 N ATOM 383 CA ALA A 26 5.287 7.869 -2.532 1.00 23.51 C ATOM 384 C ALA A 26 6.711 8.384 -2.272 1.00 62.20 C ATOM 385 O ALA A 26 7.675 7.616 -2.272 1.00 15.13 O ATOM 386 CB ALA A 26 4.871 8.185 -3.959 1.00 41.24 C ATOM 0 H ALA A 26 3.565 8.969 -2.042 1.00 3.30 H new ATOM 0 HA ALA A 26 5.298 6.790 -2.381 1.00 23.51 H new ATOM 0 HB1 ALA A 26 5.596 7.758 -4.652 1.00 41.24 H new ATOM 0 HB2 ALA A 26 3.887 7.758 -4.154 1.00 41.24 H new ATOM 0 HB3 ALA A 26 4.831 9.266 -4.096 1.00 41.24 H new ATOM 392 N GLU A 27 6.839 9.690 -2.065 1.00 61.54 N ATOM 393 CA GLU A 27 8.130 10.291 -1.728 1.00 12.22 C ATOM 394 C GLU A 27 8.623 9.787 -0.367 1.00 33.13 C ATOM 395 O GLU A 27 9.804 9.473 -0.192 1.00 11.01 O ATOM 396 CB GLU A 27 8.017 11.822 -1.702 1.00 63.50 C ATOM 397 CG GLU A 27 9.332 12.533 -1.388 1.00 15.55 C ATOM 398 CD GLU A 27 9.164 14.035 -1.214 1.00 73.51 C ATOM 399 OE1 GLU A 27 9.168 14.766 -2.229 1.00 23.11 O ATOM 400 OE2 GLU A 27 9.023 14.495 -0.060 1.00 62.20 O ATOM 0 H GLU A 27 6.067 10.354 -2.124 1.00 61.54 H new ATOM 0 HA GLU A 27 8.849 9.999 -2.493 1.00 12.22 H new ATOM 0 HB2 GLU A 27 7.651 12.166 -2.669 1.00 63.50 H new ATOM 0 HB3 GLU A 27 7.273 12.109 -0.959 1.00 63.50 H new ATOM 0 HG2 GLU A 27 9.759 12.112 -0.478 1.00 15.55 H new ATOM 0 HG3 GLU A 27 10.044 12.342 -2.191 1.00 15.55 H new ATOM 407 N HIS A 28 7.702 9.694 0.593 1.00 73.44 N ATOM 408 CA HIS A 28 8.048 9.279 1.950 1.00 4.42 C ATOM 409 C HIS A 28 8.566 7.831 1.988 1.00 43.30 C ATOM 410 O HIS A 28 9.545 7.544 2.664 1.00 13.43 O ATOM 411 CB HIS A 28 6.848 9.433 2.889 1.00 44.13 C ATOM 412 CG HIS A 28 7.236 9.443 4.336 1.00 61.22 C ATOM 413 ND1 HIS A 28 7.261 10.591 5.094 1.00 21.53 N ATOM 414 CD2 HIS A 28 7.632 8.445 5.157 1.00 72.15 C ATOM 415 CE1 HIS A 28 7.659 10.300 6.315 1.00 34.35 C ATOM 416 NE2 HIS A 28 7.891 9.004 6.381 1.00 13.11 N ATOM 0 H HIS A 28 6.713 9.900 0.455 1.00 73.44 H new ATOM 0 HA HIS A 28 8.851 9.932 2.292 1.00 4.42 H new ATOM 0 HB2 HIS A 28 6.325 10.359 2.652 1.00 44.13 H new ATOM 0 HB3 HIS A 28 6.148 8.617 2.712 1.00 44.13 H new ATOM 0 HD2 HIS A 28 7.727 7.401 4.897 1.00 72.15 H new ATOM 0 HE1 HIS A 28 7.776 11.004 7.126 1.00 34.35 H new ATOM 0 HE2 HIS A 28 8.211 8.500 7.208 1.00 13.11 H new ATOM 425 N VAL A 29 7.913 6.917 1.266 1.00 41.13 N ATOM 426 CA VAL A 29 8.375 5.519 1.218 1.00 41.05 C ATOM 427 C VAL A 29 9.734 5.402 0.505 1.00 55.13 C ATOM 428 O VAL A 29 10.525 4.506 0.799 1.00 61.41 O ATOM 429 CB VAL A 29 7.342 4.577 0.545 1.00 24.34 C ATOM 430 CG1 VAL A 29 6.032 4.568 1.329 1.00 61.35 C ATOM 431 CG2 VAL A 29 7.105 4.968 -0.911 1.00 43.42 C ATOM 0 H VAL A 29 7.077 7.110 0.714 1.00 41.13 H new ATOM 0 HA VAL A 29 8.491 5.200 2.254 1.00 41.05 H new ATOM 0 HB VAL A 29 7.751 3.567 0.553 1.00 24.34 H new ATOM 0 HG11 VAL A 29 5.321 3.902 0.841 1.00 61.35 H new ATOM 0 HG12 VAL A 29 6.218 4.219 2.345 1.00 61.35 H new ATOM 0 HG13 VAL A 29 5.621 5.577 1.362 1.00 61.35 H new ATOM 0 HG21 VAL A 29 6.377 4.290 -1.356 1.00 43.42 H new ATOM 0 HG22 VAL A 29 6.726 5.989 -0.956 1.00 43.42 H new ATOM 0 HG23 VAL A 29 8.043 4.905 -1.462 1.00 43.42 H new ATOM 441 N SER A 30 10.006 6.319 -0.429 1.00 74.13 N ATOM 442 CA SER A 30 11.335 6.413 -1.059 1.00 51.02 C ATOM 443 C SER A 30 12.397 6.818 -0.023 1.00 15.51 C ATOM 444 O SER A 30 13.582 6.522 -0.174 1.00 13.32 O ATOM 445 CB SER A 30 11.319 7.425 -2.215 1.00 33.23 C ATOM 446 OG SER A 30 12.610 7.578 -2.790 1.00 52.22 O ATOM 0 H SER A 30 9.331 7.005 -0.767 1.00 74.13 H new ATOM 0 HA SER A 30 11.589 5.431 -1.458 1.00 51.02 H new ATOM 0 HB2 SER A 30 10.616 7.095 -2.979 1.00 33.23 H new ATOM 0 HB3 SER A 30 10.965 8.389 -1.851 1.00 33.23 H new ATOM 0 HG SER A 30 12.567 8.227 -3.523 1.00 52.22 H new ATOM 452 N GLU A 31 11.952 7.506 1.024 1.00 62.50 N ATOM 453 CA GLU A 31 12.809 7.867 2.159 1.00 15.40 C ATOM 454 C GLU A 31 12.831 6.746 3.218 1.00 21.41 C ATOM 455 O GLU A 31 13.872 6.445 3.807 1.00 61.42 O ATOM 456 CB GLU A 31 12.299 9.195 2.767 1.00 34.13 C ATOM 457 CG GLU A 31 12.868 9.548 4.146 1.00 51.15 C ATOM 458 CD GLU A 31 11.877 9.308 5.283 1.00 33.13 C ATOM 459 OE1 GLU A 31 11.856 8.193 5.842 1.00 74.14 O ATOM 460 OE2 GLU A 31 11.116 10.240 5.626 1.00 43.10 O ATOM 0 H GLU A 31 10.989 7.831 1.114 1.00 62.50 H new ATOM 0 HA GLU A 31 13.833 7.997 1.810 1.00 15.40 H new ATOM 0 HB2 GLU A 31 12.535 10.005 2.077 1.00 34.13 H new ATOM 0 HB3 GLU A 31 11.213 9.147 2.842 1.00 34.13 H new ATOM 0 HG2 GLU A 31 13.766 8.956 4.324 1.00 51.15 H new ATOM 0 HG3 GLU A 31 13.170 10.595 4.150 1.00 51.15 H new ATOM 467 N ASP A 32 11.679 6.114 3.412 1.00 11.33 N ATOM 468 CA ASP A 32 11.483 5.099 4.457 1.00 50.21 C ATOM 469 C ASP A 32 12.102 3.736 4.071 1.00 44.40 C ATOM 470 O ASP A 32 12.257 2.848 4.915 1.00 43.13 O ATOM 471 CB ASP A 32 9.975 4.961 4.723 1.00 62.23 C ATOM 472 CG ASP A 32 9.648 4.113 5.940 1.00 42.44 C ATOM 473 OD1 ASP A 32 10.068 4.488 7.056 1.00 12.21 O ATOM 474 OD2 ASP A 32 8.944 3.091 5.786 1.00 21.24 O ATOM 0 H ASP A 32 10.846 6.288 2.849 1.00 11.33 H new ATOM 0 HA ASP A 32 11.997 5.422 5.362 1.00 50.21 H new ATOM 0 HB2 ASP A 32 9.546 5.954 4.856 1.00 62.23 H new ATOM 0 HB3 ASP A 32 9.498 4.523 3.846 1.00 62.23 H new ATOM 479 N LYS A 33 12.477 3.578 2.798 1.00 1.45 N ATOM 480 CA LYS A 33 13.064 2.317 2.305 1.00 74.41 C ATOM 481 C LYS A 33 14.489 2.073 2.848 1.00 64.22 C ATOM 482 O LYS A 33 15.135 1.091 2.483 1.00 65.23 O ATOM 483 CB LYS A 33 13.076 2.294 0.766 1.00 15.51 C ATOM 484 CG LYS A 33 13.932 3.386 0.132 1.00 45.44 C ATOM 485 CD LYS A 33 13.880 3.340 -1.395 1.00 12.42 C ATOM 486 CE LYS A 33 14.560 2.096 -1.962 1.00 23.04 C ATOM 487 NZ LYS A 33 16.032 2.123 -1.756 1.00 64.04 N ATOM 0 H LYS A 33 12.387 4.304 2.087 1.00 1.45 H new ATOM 0 HA LYS A 33 12.433 1.510 2.677 1.00 74.41 H new ATOM 0 HB2 LYS A 33 13.439 1.322 0.431 1.00 15.51 H new ATOM 0 HB3 LYS A 33 12.053 2.394 0.404 1.00 15.51 H new ATOM 0 HG2 LYS A 33 13.589 4.361 0.477 1.00 45.44 H new ATOM 0 HG3 LYS A 33 14.965 3.275 0.463 1.00 45.44 H new ATOM 0 HD2 LYS A 33 12.840 3.363 -1.722 1.00 12.42 H new ATOM 0 HD3 LYS A 33 14.361 4.230 -1.799 1.00 12.42 H new ATOM 0 HE2 LYS A 33 14.144 1.207 -1.488 1.00 23.04 H new ATOM 0 HE3 LYS A 33 14.344 2.019 -3.028 1.00 23.04 H new ATOM 0 HZ1 LYS A 33 16.473 1.353 -2.298 1.00 64.04 H new ATOM 0 HZ2 LYS A 33 16.411 3.036 -2.080 1.00 64.04 H new ATOM 0 HZ3 LYS A 33 16.243 2.000 -0.745 1.00 64.04 H new ATOM 501 N ALA A 34 14.975 2.968 3.712 1.00 52.53 N ATOM 502 CA ALA A 34 16.286 2.793 4.354 1.00 11.44 C ATOM 503 C ALA A 34 16.303 1.569 5.289 1.00 4.12 C ATOM 504 O ALA A 34 17.358 0.997 5.570 1.00 15.31 O ATOM 505 CB ALA A 34 16.661 4.051 5.126 1.00 24.13 C ATOM 0 H ALA A 34 14.484 3.820 3.984 1.00 52.53 H new ATOM 0 HA ALA A 34 17.022 2.619 3.569 1.00 11.44 H new ATOM 0 HB1 ALA A 34 17.634 3.912 5.598 1.00 24.13 H new ATOM 0 HB2 ALA A 34 16.708 4.898 4.441 1.00 24.13 H new ATOM 0 HB3 ALA A 34 15.910 4.245 5.892 1.00 24.13 H new ATOM 511 N PHE A 35 15.127 1.187 5.777 1.00 15.53 N ATOM 512 CA PHE A 35 14.970 -0.007 6.614 1.00 34.11 C ATOM 513 C PHE A 35 14.806 -1.265 5.737 1.00 24.15 C ATOM 514 O PHE A 35 14.039 -1.245 4.774 1.00 24.11 O ATOM 515 CB PHE A 35 13.744 0.170 7.529 1.00 13.25 C ATOM 516 CG PHE A 35 13.422 -1.033 8.385 1.00 52.52 C ATOM 517 CD1 PHE A 35 14.128 -1.281 9.554 1.00 72.54 C ATOM 518 CD2 PHE A 35 12.411 -1.914 8.020 1.00 54.13 C ATOM 519 CE1 PHE A 35 13.834 -2.380 10.340 1.00 21.54 C ATOM 520 CE2 PHE A 35 12.115 -3.013 8.803 1.00 62.44 C ATOM 521 CZ PHE A 35 12.827 -3.247 9.963 1.00 11.14 C ATOM 0 H PHE A 35 14.257 1.691 5.607 1.00 15.53 H new ATOM 0 HA PHE A 35 15.863 -0.134 7.226 1.00 34.11 H new ATOM 0 HB2 PHE A 35 13.913 1.028 8.179 1.00 13.25 H new ATOM 0 HB3 PHE A 35 12.876 0.404 6.912 1.00 13.25 H new ATOM 0 HD1 PHE A 35 14.917 -0.607 9.854 1.00 72.54 H new ATOM 0 HD2 PHE A 35 11.850 -1.737 7.114 1.00 54.13 H new ATOM 0 HE1 PHE A 35 14.391 -2.560 11.248 1.00 21.54 H new ATOM 0 HE2 PHE A 35 11.326 -3.689 8.508 1.00 62.44 H new ATOM 0 HZ PHE A 35 12.597 -4.107 10.575 1.00 11.14 H new ATOM 531 N PRO A 36 15.530 -2.370 6.046 1.00 30.40 N ATOM 532 CA PRO A 36 15.390 -3.644 5.314 1.00 61.21 C ATOM 533 C PRO A 36 13.920 -4.060 5.150 1.00 12.32 C ATOM 534 O PRO A 36 13.281 -4.515 6.098 1.00 4.43 O ATOM 535 CB PRO A 36 16.155 -4.642 6.197 1.00 12.23 C ATOM 536 CG PRO A 36 17.184 -3.808 6.883 1.00 63.32 C ATOM 537 CD PRO A 36 16.547 -2.460 7.112 1.00 63.15 C ATOM 0 HA PRO A 36 15.774 -3.584 4.296 1.00 61.21 H new ATOM 0 HB2 PRO A 36 15.493 -5.128 6.914 1.00 12.23 H new ATOM 0 HB3 PRO A 36 16.614 -5.431 5.601 1.00 12.23 H new ATOM 0 HG2 PRO A 36 17.487 -4.261 7.827 1.00 63.32 H new ATOM 0 HG3 PRO A 36 18.082 -3.716 6.271 1.00 63.32 H new ATOM 0 HD2 PRO A 36 16.097 -2.393 8.102 1.00 63.15 H new ATOM 0 HD3 PRO A 36 17.277 -1.654 7.038 1.00 63.15 H new ATOM 545 N ARG A 37 13.390 -3.891 3.941 1.00 23.22 N ATOM 546 CA ARG A 37 11.957 -4.057 3.691 1.00 54.22 C ATOM 547 C ARG A 37 11.544 -5.536 3.587 1.00 62.11 C ATOM 548 O ARG A 37 11.000 -6.102 4.536 1.00 20.13 O ATOM 549 CB ARG A 37 11.566 -3.304 2.410 1.00 34.25 C ATOM 550 CG ARG A 37 11.984 -1.834 2.403 1.00 52.23 C ATOM 551 CD ARG A 37 11.205 -1.000 3.417 1.00 72.32 C ATOM 552 NE ARG A 37 9.789 -0.904 3.068 1.00 12.14 N ATOM 553 CZ ARG A 37 8.981 0.017 3.515 1.00 22.11 C ATOM 554 NH1 ARG A 37 9.416 0.939 4.318 1.00 63.31 N ATOM 555 NH2 ARG A 37 7.740 0.018 3.144 1.00 74.42 N ATOM 0 H ARG A 37 13.932 -3.638 3.115 1.00 23.22 H new ATOM 0 HA ARG A 37 11.424 -3.639 4.545 1.00 54.22 H new ATOM 0 HB2 ARG A 37 12.019 -3.804 1.554 1.00 34.25 H new ATOM 0 HB3 ARG A 37 10.485 -3.365 2.280 1.00 34.25 H new ATOM 0 HG2 ARG A 37 13.050 -1.762 2.620 1.00 52.23 H new ATOM 0 HG3 ARG A 37 11.833 -1.421 1.405 1.00 52.23 H new ATOM 0 HD2 ARG A 37 11.306 -1.444 4.407 1.00 72.32 H new ATOM 0 HD3 ARG A 37 11.635 0.000 3.471 1.00 72.32 H new ATOM 0 HE ARG A 37 9.407 -1.604 2.432 1.00 12.14 H new ATOM 0 HH11 ARG A 37 10.395 0.946 4.603 1.00 63.31 H new ATOM 0 HH12 ARG A 37 8.779 1.656 4.664 1.00 63.31 H new ATOM 0 HH21 ARG A 37 7.398 -0.700 2.505 1.00 74.42 H new ATOM 0 HH22 ARG A 37 7.105 0.736 3.491 1.00 74.42 H new ATOM 569 N LEU A 38 11.810 -6.159 2.430 1.00 0.44 N ATOM 570 CA LEU A 38 11.351 -7.534 2.160 1.00 14.10 C ATOM 571 C LEU A 38 9.835 -7.663 2.411 1.00 72.00 C ATOM 572 O LEU A 38 9.335 -8.722 2.807 1.00 23.52 O ATOM 573 CB LEU A 38 12.133 -8.554 3.011 1.00 3.13 C ATOM 574 CG LEU A 38 13.602 -8.786 2.597 1.00 12.22 C ATOM 575 CD1 LEU A 38 13.698 -9.204 1.130 1.00 71.32 C ATOM 576 CD2 LEU A 38 14.456 -7.546 2.860 1.00 21.23 C ATOM 0 H LEU A 38 12.339 -5.736 1.667 1.00 0.44 H new ATOM 0 HA LEU A 38 11.543 -7.753 1.110 1.00 14.10 H new ATOM 0 HB2 LEU A 38 12.116 -8.222 4.049 1.00 3.13 H new ATOM 0 HB3 LEU A 38 11.609 -9.509 2.973 1.00 3.13 H new ATOM 0 HG LEU A 38 13.992 -9.598 3.210 1.00 12.22 H new ATOM 0 HD11 LEU A 38 14.743 -9.361 0.864 1.00 71.32 H new ATOM 0 HD12 LEU A 38 13.142 -10.129 0.978 1.00 71.32 H new ATOM 0 HD13 LEU A 38 13.277 -8.420 0.500 1.00 71.32 H new ATOM 0 HD21 LEU A 38 15.485 -7.742 2.558 1.00 21.23 H new ATOM 0 HD22 LEU A 38 14.063 -6.706 2.287 1.00 21.23 H new ATOM 0 HD23 LEU A 38 14.430 -7.305 3.923 1.00 21.23 H new ATOM 588 N GLU A 39 9.115 -6.581 2.120 1.00 72.10 N ATOM 589 CA GLU A 39 7.701 -6.443 2.478 1.00 64.41 C ATOM 590 C GLU A 39 6.769 -7.332 1.620 1.00 2.14 C ATOM 591 O GLU A 39 6.131 -8.238 2.156 1.00 21.13 O ATOM 592 CB GLU A 39 7.303 -4.956 2.395 1.00 14.44 C ATOM 593 CG GLU A 39 7.564 -4.296 1.035 1.00 64.23 C ATOM 594 CD GLU A 39 7.711 -2.778 1.117 1.00 2.24 C ATOM 595 OE1 GLU A 39 6.746 -2.092 1.507 1.00 31.01 O ATOM 596 OE2 GLU A 39 8.806 -2.266 0.804 1.00 2.21 O ATOM 0 H GLU A 39 9.495 -5.772 1.628 1.00 72.10 H new ATOM 0 HA GLU A 39 7.575 -6.798 3.501 1.00 64.41 H new ATOM 0 HB2 GLU A 39 6.243 -4.864 2.630 1.00 14.44 H new ATOM 0 HB3 GLU A 39 7.848 -4.405 3.161 1.00 14.44 H new ATOM 0 HG2 GLU A 39 8.471 -4.719 0.602 1.00 64.23 H new ATOM 0 HG3 GLU A 39 6.745 -4.538 0.358 1.00 64.23 H new ATOM 603 N GLU A 40 6.737 -7.080 0.302 1.00 24.44 N ATOM 604 CA GLU A 40 5.848 -7.759 -0.675 1.00 32.42 C ATOM 605 C GLU A 40 4.383 -7.964 -0.196 1.00 53.13 C ATOM 606 O GLU A 40 3.460 -7.362 -0.753 1.00 63.23 O ATOM 607 CB GLU A 40 6.463 -9.088 -1.179 1.00 31.12 C ATOM 608 CG GLU A 40 6.662 -10.173 -0.124 1.00 21.33 C ATOM 609 CD GLU A 40 7.110 -11.497 -0.724 1.00 21.12 C ATOM 610 OE1 GLU A 40 6.477 -11.956 -1.704 1.00 3.33 O ATOM 611 OE2 GLU A 40 8.085 -12.091 -0.219 1.00 42.45 O ATOM 0 H GLU A 40 7.341 -6.382 -0.132 1.00 24.44 H new ATOM 0 HA GLU A 40 5.778 -7.063 -1.511 1.00 32.42 H new ATOM 0 HB2 GLU A 40 5.823 -9.487 -1.966 1.00 31.12 H new ATOM 0 HB3 GLU A 40 7.429 -8.869 -1.634 1.00 31.12 H new ATOM 0 HG2 GLU A 40 7.403 -9.838 0.601 1.00 21.33 H new ATOM 0 HG3 GLU A 40 5.729 -10.322 0.419 1.00 21.33 H new ATOM 618 N ARG A 41 4.168 -8.823 0.803 1.00 20.34 N ATOM 619 CA ARG A 41 2.818 -9.152 1.285 1.00 63.11 C ATOM 620 C ARG A 41 2.098 -7.912 1.850 1.00 13.50 C ATOM 621 O ARG A 41 2.567 -7.280 2.795 1.00 73.30 O ATOM 622 CB ARG A 41 2.891 -10.260 2.351 1.00 63.40 C ATOM 623 CG ARG A 41 3.748 -11.455 1.932 1.00 33.11 C ATOM 624 CD ARG A 41 3.662 -12.606 2.931 1.00 42.44 C ATOM 625 NE ARG A 41 2.371 -13.293 2.868 1.00 54.34 N ATOM 626 CZ ARG A 41 1.865 -14.004 3.840 1.00 74.42 C ATOM 627 NH1 ARG A 41 2.496 -14.125 4.965 1.00 21.54 N ATOM 628 NH2 ARG A 41 0.727 -14.599 3.683 1.00 55.20 N ATOM 0 H ARG A 41 4.916 -9.308 1.299 1.00 20.34 H new ATOM 0 HA ARG A 41 2.239 -9.511 0.434 1.00 63.11 H new ATOM 0 HB2 ARG A 41 3.293 -9.840 3.273 1.00 63.40 H new ATOM 0 HB3 ARG A 41 1.882 -10.607 2.573 1.00 63.40 H new ATOM 0 HG2 ARG A 41 3.427 -11.804 0.950 1.00 33.11 H new ATOM 0 HG3 ARG A 41 4.786 -11.138 1.834 1.00 33.11 H new ATOM 0 HD2 ARG A 41 4.462 -13.319 2.732 1.00 42.44 H new ATOM 0 HD3 ARG A 41 3.820 -12.223 3.939 1.00 42.44 H new ATOM 0 HE ARG A 41 1.830 -13.211 2.007 1.00 54.34 H new ATOM 0 HH11 ARG A 41 3.396 -13.663 5.097 1.00 21.54 H new ATOM 0 HH12 ARG A 41 2.093 -14.682 5.718 1.00 21.54 H new ATOM 0 HH21 ARG A 41 0.224 -14.513 2.800 1.00 55.20 H new ATOM 0 HH22 ARG A 41 0.333 -15.154 4.442 1.00 55.20 H new ATOM 642 N HIS A 42 0.937 -7.596 1.279 1.00 10.50 N ATOM 643 CA HIS A 42 0.227 -6.344 1.588 1.00 2.34 C ATOM 644 C HIS A 42 -0.387 -6.327 3.005 1.00 21.51 C ATOM 645 O HIS A 42 -0.769 -5.269 3.504 1.00 73.51 O ATOM 646 CB HIS A 42 -0.866 -6.092 0.544 1.00 64.41 C ATOM 647 CG HIS A 42 -0.357 -6.121 -0.866 1.00 33.30 C ATOM 648 ND1 HIS A 42 -1.070 -6.657 -1.915 1.00 44.02 N ATOM 649 CD2 HIS A 42 0.815 -5.692 -1.395 1.00 21.53 C ATOM 650 CE1 HIS A 42 -0.364 -6.554 -3.023 1.00 35.22 C ATOM 651 NE2 HIS A 42 0.785 -5.974 -2.738 1.00 40.23 N ATOM 0 H HIS A 42 0.462 -8.188 0.597 1.00 10.50 H new ATOM 0 HA HIS A 42 0.969 -5.547 1.557 1.00 2.34 H new ATOM 0 HB2 HIS A 42 -1.647 -6.844 0.657 1.00 64.41 H new ATOM 0 HB3 HIS A 42 -1.327 -5.123 0.737 1.00 64.41 H new ATOM 0 HD1 HIS A 42 -2.000 -7.070 -1.845 1.00 44.02 H new ATOM 0 HD2 HIS A 42 1.623 -5.216 -0.859 1.00 21.53 H new ATOM 0 HE1 HIS A 42 -0.675 -6.889 -4.002 1.00 35.22 H new ATOM 660 N GLN A 43 -0.479 -7.495 3.645 1.00 63.45 N ATOM 661 CA GLN A 43 -1.031 -7.592 5.010 1.00 72.54 C ATOM 662 C GLN A 43 -0.148 -6.812 6.001 1.00 73.00 C ATOM 663 O GLN A 43 -0.592 -5.833 6.608 1.00 60.20 O ATOM 664 CB GLN A 43 -1.144 -9.075 5.431 1.00 25.43 C ATOM 665 CG GLN A 43 -2.070 -9.350 6.627 1.00 33.12 C ATOM 666 CD GLN A 43 -1.587 -8.753 7.942 1.00 31.22 C ATOM 667 OE1 GLN A 43 -1.951 -7.643 8.311 1.00 0.34 O ATOM 668 NE2 GLN A 43 -0.755 -9.479 8.655 1.00 72.34 N ATOM 0 H GLN A 43 -0.182 -8.386 3.247 1.00 63.45 H new ATOM 0 HA GLN A 43 -2.028 -7.151 5.020 1.00 72.54 H new ATOM 0 HB2 GLN A 43 -1.500 -9.652 4.577 1.00 25.43 H new ATOM 0 HB3 GLN A 43 -0.147 -9.444 5.672 1.00 25.43 H new ATOM 0 HG2 GLN A 43 -3.061 -8.954 6.403 1.00 33.12 H new ATOM 0 HG3 GLN A 43 -2.178 -10.428 6.748 1.00 33.12 H new ATOM 0 HE21 GLN A 43 -0.469 -10.400 8.323 1.00 72.34 H new ATOM 0 HE22 GLN A 43 -0.396 -9.121 9.540 1.00 72.34 H new ATOM 677 N VAL A 44 1.110 -7.238 6.135 1.00 12.45 N ATOM 678 CA VAL A 44 2.058 -6.605 7.062 1.00 72.12 C ATOM 679 C VAL A 44 2.207 -5.098 6.786 1.00 61.13 C ATOM 680 O VAL A 44 2.480 -4.315 7.697 1.00 35.34 O ATOM 681 CB VAL A 44 3.450 -7.291 6.997 1.00 71.12 C ATOM 682 CG1 VAL A 44 3.332 -8.774 7.356 1.00 42.11 C ATOM 683 CG2 VAL A 44 4.095 -7.108 5.620 1.00 41.12 C ATOM 0 H VAL A 44 1.500 -8.022 5.612 1.00 12.45 H new ATOM 0 HA VAL A 44 1.649 -6.730 8.064 1.00 72.12 H new ATOM 0 HB VAL A 44 4.099 -6.811 7.729 1.00 71.12 H new ATOM 0 HG11 VAL A 44 4.316 -9.240 7.306 1.00 42.11 H new ATOM 0 HG12 VAL A 44 2.935 -8.873 8.366 1.00 42.11 H new ATOM 0 HG13 VAL A 44 2.661 -9.266 6.652 1.00 42.11 H new ATOM 0 HG21 VAL A 44 5.068 -7.599 5.606 1.00 41.12 H new ATOM 0 HG22 VAL A 44 3.454 -7.550 4.857 1.00 41.12 H new ATOM 0 HG23 VAL A 44 4.222 -6.045 5.416 1.00 41.12 H new ATOM 693 N ILE A 45 2.009 -4.701 5.529 1.00 3.02 N ATOM 694 CA ILE A 45 2.047 -3.284 5.150 1.00 31.32 C ATOM 695 C ILE A 45 1.049 -2.465 5.981 1.00 50.43 C ATOM 696 O ILE A 45 1.417 -1.469 6.601 1.00 54.51 O ATOM 697 CB ILE A 45 1.733 -3.084 3.644 1.00 72.23 C ATOM 698 CG1 ILE A 45 2.745 -3.849 2.775 1.00 45.12 C ATOM 699 CG2 ILE A 45 1.730 -1.597 3.280 1.00 74.41 C ATOM 700 CD1 ILE A 45 4.179 -3.400 2.963 1.00 44.42 C ATOM 0 H ILE A 45 1.821 -5.338 4.755 1.00 3.02 H new ATOM 0 HA ILE A 45 3.060 -2.934 5.348 1.00 31.32 H new ATOM 0 HB ILE A 45 0.738 -3.484 3.449 1.00 72.23 H new ATOM 0 HG12 ILE A 45 2.675 -4.912 3.004 1.00 45.12 H new ATOM 0 HG13 ILE A 45 2.472 -3.730 1.727 1.00 45.12 H new ATOM 0 HG21 ILE A 45 1.507 -1.483 2.219 1.00 74.41 H new ATOM 0 HG22 ILE A 45 0.971 -1.080 3.868 1.00 74.41 H new ATOM 0 HG23 ILE A 45 2.709 -1.168 3.494 1.00 74.41 H new ATOM 0 HD11 ILE A 45 4.832 -3.987 2.316 1.00 44.42 H new ATOM 0 HD12 ILE A 45 4.266 -2.344 2.706 1.00 44.42 H new ATOM 0 HD13 ILE A 45 4.472 -3.545 4.003 1.00 44.42 H new ATOM 712 N ARG A 46 -0.210 -2.914 6.014 1.00 62.23 N ATOM 713 CA ARG A 46 -1.264 -2.207 6.752 1.00 32.44 C ATOM 714 C ARG A 46 -0.904 -2.062 8.241 1.00 11.41 C ATOM 715 O ARG A 46 -1.167 -1.029 8.855 1.00 71.42 O ATOM 716 CB ARG A 46 -2.612 -2.933 6.607 1.00 32.45 C ATOM 717 CG ARG A 46 -3.787 -2.156 7.202 1.00 41.50 C ATOM 718 CD ARG A 46 -5.112 -2.900 7.051 1.00 64.11 C ATOM 719 NE ARG A 46 -5.161 -4.126 7.847 1.00 13.22 N ATOM 720 CZ ARG A 46 -6.267 -4.714 8.221 1.00 40.15 C ATOM 721 NH1 ARG A 46 -7.421 -4.210 7.916 1.00 13.43 N ATOM 722 NH2 ARG A 46 -6.218 -5.799 8.918 1.00 51.04 N ATOM 0 H ARG A 46 -0.524 -3.761 5.540 1.00 62.23 H new ATOM 0 HA ARG A 46 -1.351 -1.209 6.322 1.00 32.44 H new ATOM 0 HB2 ARG A 46 -2.805 -3.117 5.550 1.00 32.45 H new ATOM 0 HB3 ARG A 46 -2.546 -3.906 7.093 1.00 32.45 H new ATOM 0 HG2 ARG A 46 -3.597 -1.968 8.259 1.00 41.50 H new ATOM 0 HG3 ARG A 46 -3.861 -1.184 6.714 1.00 41.50 H new ATOM 0 HD2 ARG A 46 -5.929 -2.244 7.350 1.00 64.11 H new ATOM 0 HD3 ARG A 46 -5.269 -3.146 6.001 1.00 64.11 H new ATOM 0 HE ARG A 46 -4.276 -4.549 8.128 1.00 13.22 H new ATOM 0 HH11 ARG A 46 -7.474 -3.345 7.378 1.00 13.43 H new ATOM 0 HH12 ARG A 46 -8.277 -4.678 8.214 1.00 13.43 H new ATOM 0 HH21 ARG A 46 -5.316 -6.198 9.177 1.00 51.04 H new ATOM 0 HH22 ARG A 46 -7.081 -6.257 9.210 1.00 51.04 H new ATOM 736 N ALA A 47 -0.291 -3.099 8.807 1.00 51.15 N ATOM 737 CA ALA A 47 0.130 -3.076 10.211 1.00 21.52 C ATOM 738 C ALA A 47 1.236 -2.033 10.451 1.00 60.02 C ATOM 739 O ALA A 47 1.127 -1.180 11.336 1.00 4.15 O ATOM 740 CB ALA A 47 0.605 -4.463 10.638 1.00 53.35 C ATOM 0 H ALA A 47 -0.073 -3.967 8.317 1.00 51.15 H new ATOM 0 HA ALA A 47 -0.730 -2.791 10.816 1.00 21.52 H new ATOM 0 HB1 ALA A 47 0.916 -4.436 11.682 1.00 53.35 H new ATOM 0 HB2 ALA A 47 -0.209 -5.179 10.520 1.00 53.35 H new ATOM 0 HB3 ALA A 47 1.448 -4.766 10.017 1.00 53.35 H new ATOM 746 N TYR A 48 2.294 -2.094 9.643 1.00 73.40 N ATOM 747 CA TYR A 48 3.442 -1.195 9.808 1.00 51.01 C ATOM 748 C TYR A 48 3.104 0.272 9.482 1.00 31.11 C ATOM 749 O TYR A 48 3.598 1.182 10.149 1.00 55.55 O ATOM 750 CB TYR A 48 4.632 -1.675 8.964 1.00 61.42 C ATOM 751 CG TYR A 48 5.398 -2.822 9.605 1.00 64.22 C ATOM 752 CD1 TYR A 48 4.911 -4.125 9.566 1.00 73.31 C ATOM 753 CD2 TYR A 48 6.604 -2.596 10.265 1.00 1.14 C ATOM 754 CE1 TYR A 48 5.598 -5.164 10.166 1.00 73.05 C ATOM 755 CE2 TYR A 48 7.298 -3.631 10.862 1.00 75.31 C ATOM 756 CZ TYR A 48 6.791 -4.911 10.812 1.00 11.42 C ATOM 757 OH TYR A 48 7.476 -5.938 11.425 1.00 2.32 O ATOM 0 H TYR A 48 2.383 -2.753 8.870 1.00 73.40 H new ATOM 0 HA TYR A 48 3.716 -1.228 10.863 1.00 51.01 H new ATOM 0 HB2 TYR A 48 4.271 -1.990 7.985 1.00 61.42 H new ATOM 0 HB3 TYR A 48 5.312 -0.840 8.799 1.00 61.42 H new ATOM 0 HD1 TYR A 48 3.980 -4.328 9.058 1.00 73.31 H new ATOM 0 HD2 TYR A 48 7.004 -1.594 10.311 1.00 1.14 H new ATOM 0 HE1 TYR A 48 5.203 -6.169 10.129 1.00 73.05 H new ATOM 0 HE2 TYR A 48 8.234 -3.437 11.366 1.00 75.31 H new ATOM 0 HH TYR A 48 8.296 -5.588 11.831 1.00 2.32 H new ATOM 767 N VAL A 49 2.268 0.510 8.472 1.00 11.52 N ATOM 768 CA VAL A 49 1.886 1.886 8.118 1.00 30.13 C ATOM 769 C VAL A 49 1.031 2.536 9.217 1.00 73.51 C ATOM 770 O VAL A 49 1.212 3.710 9.533 1.00 1.50 O ATOM 771 CB VAL A 49 1.144 1.970 6.757 1.00 33.03 C ATOM 772 CG1 VAL A 49 2.027 1.441 5.629 1.00 20.44 C ATOM 773 CG2 VAL A 49 -0.192 1.235 6.806 1.00 13.22 C ATOM 0 H VAL A 49 1.846 -0.214 7.891 1.00 11.52 H new ATOM 0 HA VAL A 49 2.821 2.439 8.023 1.00 30.13 H new ATOM 0 HB VAL A 49 0.929 3.019 6.555 1.00 33.03 H new ATOM 0 HG11 VAL A 49 1.489 1.508 4.684 1.00 20.44 H new ATOM 0 HG12 VAL A 49 2.938 2.036 5.571 1.00 20.44 H new ATOM 0 HG13 VAL A 49 2.285 0.400 5.826 1.00 20.44 H new ATOM 0 HG21 VAL A 49 -0.686 1.313 5.837 1.00 13.22 H new ATOM 0 HG22 VAL A 49 -0.021 0.185 7.043 1.00 13.22 H new ATOM 0 HG23 VAL A 49 -0.825 1.681 7.573 1.00 13.22 H new ATOM 783 N MET A 50 0.113 1.766 9.810 1.00 1.54 N ATOM 784 CA MET A 50 -0.696 2.254 10.939 1.00 52.44 C ATOM 785 C MET A 50 0.174 2.482 12.187 1.00 30.21 C ATOM 786 O MET A 50 -0.162 3.283 13.061 1.00 21.32 O ATOM 787 CB MET A 50 -1.823 1.259 11.257 1.00 20.12 C ATOM 788 CG MET A 50 -2.872 1.141 10.156 1.00 40.00 C ATOM 789 SD MET A 50 -4.140 -0.096 10.524 1.00 62.31 S ATOM 790 CE MET A 50 -4.808 0.540 12.062 1.00 70.20 C ATOM 0 H MET A 50 -0.090 0.806 9.531 1.00 1.54 H new ATOM 0 HA MET A 50 -1.135 3.209 10.650 1.00 52.44 H new ATOM 0 HB2 MET A 50 -1.387 0.276 11.437 1.00 20.12 H new ATOM 0 HB3 MET A 50 -2.313 1.564 12.181 1.00 20.12 H new ATOM 0 HG2 MET A 50 -3.348 2.110 10.009 1.00 40.00 H new ATOM 0 HG3 MET A 50 -2.380 0.882 9.218 1.00 40.00 H new ATOM 0 HE1 MET A 50 -5.783 0.090 12.249 1.00 70.20 H new ATOM 0 HE2 MET A 50 -4.132 0.295 12.881 1.00 70.20 H new ATOM 0 HE3 MET A 50 -4.916 1.622 11.992 1.00 70.20 H new ATOM 800 N SER A 51 1.290 1.759 12.262 1.00 53.40 N ATOM 801 CA SER A 51 2.245 1.903 13.369 1.00 32.31 C ATOM 802 C SER A 51 3.151 3.129 13.185 1.00 62.50 C ATOM 803 O SER A 51 3.414 3.867 14.136 1.00 43.51 O ATOM 804 CB SER A 51 3.114 0.642 13.491 1.00 65.30 C ATOM 805 OG SER A 51 4.067 0.763 14.537 1.00 31.55 O ATOM 0 H SER A 51 1.560 1.063 11.567 1.00 53.40 H new ATOM 0 HA SER A 51 1.664 2.041 14.281 1.00 32.31 H new ATOM 0 HB2 SER A 51 2.477 -0.223 13.677 1.00 65.30 H new ATOM 0 HB3 SER A 51 3.629 0.462 12.548 1.00 65.30 H new ATOM 0 HG SER A 51 4.602 -0.056 14.588 1.00 31.55 H new ATOM 811 N ASN A 52 3.625 3.341 11.957 1.00 4.24 N ATOM 812 CA ASN A 52 4.591 4.413 11.670 1.00 42.15 C ATOM 813 C ASN A 52 3.908 5.727 11.240 1.00 20.44 C ATOM 814 O ASN A 52 4.075 6.764 11.886 1.00 70.42 O ATOM 815 CB ASN A 52 5.568 3.966 10.573 1.00 54.43 C ATOM 816 CG ASN A 52 6.302 2.685 10.927 1.00 73.24 C ATOM 817 OD1 ASN A 52 6.501 2.367 12.094 1.00 51.55 O ATOM 818 ND2 ASN A 52 6.720 1.943 9.922 1.00 45.42 N ATOM 0 H ASN A 52 3.359 2.787 11.143 1.00 4.24 H new ATOM 0 HA ASN A 52 5.129 4.608 12.598 1.00 42.15 H new ATOM 0 HB2 ASN A 52 5.020 3.820 9.642 1.00 54.43 H new ATOM 0 HB3 ASN A 52 6.295 4.759 10.395 1.00 54.43 H new ATOM 0 HD21 ASN A 52 7.225 1.076 10.104 1.00 45.42 H new ATOM 0 HD22 ASN A 52 6.538 2.236 8.962 1.00 45.42 H new ATOM 825 N TYR A 53 3.136 5.675 10.152 1.00 53.12 N ATOM 826 CA TYR A 53 2.546 6.881 9.559 1.00 43.51 C ATOM 827 C TYR A 53 1.336 7.376 10.367 1.00 44.02 C ATOM 828 O TYR A 53 0.239 6.827 10.274 1.00 45.04 O ATOM 829 CB TYR A 53 2.144 6.614 8.097 1.00 70.31 C ATOM 830 CG TYR A 53 3.275 6.058 7.246 1.00 23.24 C ATOM 831 CD1 TYR A 53 4.564 6.582 7.332 1.00 44.12 C ATOM 832 CD2 TYR A 53 3.057 5.008 6.358 1.00 15.22 C ATOM 833 CE1 TYR A 53 5.593 6.074 6.561 1.00 11.34 C ATOM 834 CE2 TYR A 53 4.083 4.499 5.584 1.00 21.02 C ATOM 835 CZ TYR A 53 5.348 5.033 5.691 1.00 3.55 C ATOM 836 OH TYR A 53 6.371 4.529 4.920 1.00 14.20 O ATOM 0 H TYR A 53 2.904 4.811 9.662 1.00 53.12 H new ATOM 0 HA TYR A 53 3.301 7.667 9.582 1.00 43.51 H new ATOM 0 HB2 TYR A 53 1.310 5.913 8.081 1.00 70.31 H new ATOM 0 HB3 TYR A 53 1.788 7.543 7.651 1.00 70.31 H new ATOM 0 HD1 TYR A 53 4.762 7.398 8.012 1.00 44.12 H new ATOM 0 HD2 TYR A 53 2.068 4.583 6.272 1.00 15.22 H new ATOM 0 HE1 TYR A 53 6.586 6.491 6.640 1.00 11.34 H new ATOM 0 HE2 TYR A 53 3.893 3.686 4.898 1.00 21.02 H new ATOM 0 HH TYR A 53 7.020 4.072 5.495 1.00 14.20 H new ATOM 846 N THR A 54 1.553 8.416 11.172 1.00 12.10 N ATOM 847 CA THR A 54 0.484 8.989 12.008 1.00 14.34 C ATOM 848 C THR A 54 -0.384 9.984 11.227 1.00 0.00 C ATOM 849 O THR A 54 -1.453 10.387 11.695 1.00 34.41 O ATOM 850 CB THR A 54 1.055 9.708 13.257 1.00 35.54 C ATOM 851 OG1 THR A 54 1.899 10.808 12.864 1.00 22.21 O ATOM 852 CG2 THR A 54 1.850 8.739 14.125 1.00 45.55 C ATOM 0 H THR A 54 2.455 8.882 11.267 1.00 12.10 H new ATOM 0 HA THR A 54 -0.131 8.146 12.324 1.00 14.34 H new ATOM 0 HB THR A 54 0.215 10.090 13.836 1.00 35.54 H new ATOM 0 HG1 THR A 54 2.250 11.253 13.664 1.00 22.21 H new ATOM 0 HG21 THR A 54 2.241 9.267 14.995 1.00 45.55 H new ATOM 0 HG22 THR A 54 1.200 7.928 14.454 1.00 45.55 H new ATOM 0 HG23 THR A 54 2.678 8.329 13.547 1.00 45.55 H new ATOM 860 N ASP A 55 0.077 10.377 10.041 1.00 43.13 N ATOM 861 CA ASP A 55 -0.645 11.339 9.203 1.00 3.32 C ATOM 862 C ASP A 55 -1.845 10.687 8.491 1.00 3.12 C ATOM 863 O ASP A 55 -1.712 9.648 7.840 1.00 62.52 O ATOM 864 CB ASP A 55 0.308 11.954 8.175 1.00 51.51 C ATOM 865 CG ASP A 55 -0.380 12.989 7.302 1.00 14.43 C ATOM 866 OD1 ASP A 55 -0.537 14.140 7.758 1.00 54.50 O ATOM 867 OD2 ASP A 55 -0.775 12.652 6.167 1.00 31.32 O ATOM 0 H ASP A 55 0.951 10.043 9.635 1.00 43.13 H new ATOM 0 HA ASP A 55 -1.034 12.123 9.853 1.00 3.32 H new ATOM 0 HB2 ASP A 55 1.148 12.418 8.693 1.00 51.51 H new ATOM 0 HB3 ASP A 55 0.719 11.165 7.545 1.00 51.51 H new ATOM 872 N HIS A 56 -3.012 11.322 8.602 1.00 0.50 N ATOM 873 CA HIS A 56 -4.250 10.785 8.032 1.00 54.15 C ATOM 874 C HIS A 56 -4.156 10.596 6.508 1.00 71.35 C ATOM 875 O HIS A 56 -4.620 9.589 5.981 1.00 22.24 O ATOM 876 CB HIS A 56 -5.429 11.701 8.374 1.00 44.24 C ATOM 877 CG HIS A 56 -6.760 11.197 7.884 1.00 5.55 C ATOM 878 ND1 HIS A 56 -7.746 12.024 7.388 1.00 23.24 N ATOM 879 CD2 HIS A 56 -7.270 9.942 7.828 1.00 4.20 C ATOM 880 CE1 HIS A 56 -8.796 11.302 7.050 1.00 32.14 C ATOM 881 NE2 HIS A 56 -8.535 10.036 7.305 1.00 64.24 N ATOM 0 H HIS A 56 -3.127 12.214 9.084 1.00 0.50 H new ATOM 0 HA HIS A 56 -4.409 9.801 8.474 1.00 54.15 H new ATOM 0 HB2 HIS A 56 -5.476 11.827 9.456 1.00 44.24 H new ATOM 0 HB3 HIS A 56 -5.246 12.687 7.946 1.00 44.24 H new ATOM 0 HD2 HIS A 56 -6.772 9.035 8.138 1.00 4.20 H new ATOM 0 HE1 HIS A 56 -9.716 11.684 6.634 1.00 32.14 H new ATOM 0 HE2 HIS A 56 -9.169 9.254 7.141 1.00 64.24 H new ATOM 890 N GLN A 57 -3.556 11.557 5.803 1.00 35.45 N ATOM 891 CA GLN A 57 -3.461 11.492 4.335 1.00 75.24 C ATOM 892 C GLN A 57 -2.568 10.329 3.876 1.00 34.31 C ATOM 893 O GLN A 57 -2.864 9.659 2.879 1.00 61.24 O ATOM 894 CB GLN A 57 -2.942 12.820 3.766 1.00 50.04 C ATOM 895 CG GLN A 57 -3.862 14.008 4.033 1.00 65.10 C ATOM 896 CD GLN A 57 -5.249 13.818 3.440 1.00 62.35 C ATOM 897 OE1 GLN A 57 -6.155 13.303 4.089 1.00 34.15 O ATOM 898 NE2 GLN A 57 -5.423 14.224 2.202 1.00 42.44 N ATOM 0 H GLN A 57 -3.130 12.386 6.217 1.00 35.45 H new ATOM 0 HA GLN A 57 -4.465 11.313 3.950 1.00 75.24 H new ATOM 0 HB2 GLN A 57 -1.961 13.029 4.194 1.00 50.04 H new ATOM 0 HB3 GLN A 57 -2.804 12.714 2.690 1.00 50.04 H new ATOM 0 HG2 GLN A 57 -3.949 14.161 5.109 1.00 65.10 H new ATOM 0 HG3 GLN A 57 -3.414 14.911 3.618 1.00 65.10 H new ATOM 0 HE21 GLN A 57 -4.649 14.648 1.691 1.00 42.44 H new ATOM 0 HE22 GLN A 57 -6.332 14.115 1.753 1.00 42.44 H new ATOM 907 N LEU A 58 -1.480 10.089 4.607 1.00 24.22 N ATOM 908 CA LEU A 58 -0.610 8.939 4.333 1.00 43.02 C ATOM 909 C LEU A 58 -1.384 7.624 4.498 1.00 20.44 C ATOM 910 O LEU A 58 -1.264 6.706 3.681 1.00 3.42 O ATOM 911 CB LEU A 58 0.612 8.948 5.264 1.00 15.25 C ATOM 912 CG LEU A 58 1.516 10.189 5.155 1.00 13.14 C ATOM 913 CD1 LEU A 58 2.735 10.050 6.065 1.00 22.12 C ATOM 914 CD2 LEU A 58 1.946 10.430 3.707 1.00 32.02 C ATOM 0 H LEU A 58 -1.179 10.670 5.389 1.00 24.22 H new ATOM 0 HA LEU A 58 -0.265 9.016 3.302 1.00 43.02 H new ATOM 0 HB2 LEU A 58 0.264 8.862 6.293 1.00 15.25 H new ATOM 0 HB3 LEU A 58 1.213 8.063 5.056 1.00 15.25 H new ATOM 0 HG LEU A 58 0.940 11.055 5.483 1.00 13.14 H new ATOM 0 HD11 LEU A 58 3.361 10.938 5.973 1.00 22.12 H new ATOM 0 HD12 LEU A 58 2.407 9.943 7.099 1.00 22.12 H new ATOM 0 HD13 LEU A 58 3.308 9.170 5.773 1.00 22.12 H new ATOM 0 HD21 LEU A 58 2.584 11.313 3.659 1.00 32.02 H new ATOM 0 HD22 LEU A 58 2.498 9.564 3.342 1.00 32.02 H new ATOM 0 HD23 LEU A 58 1.063 10.586 3.087 1.00 32.02 H new ATOM 926 N ILE A 59 -2.183 7.544 5.560 1.00 3.23 N ATOM 927 CA ILE A 59 -3.038 6.379 5.806 1.00 34.22 C ATOM 928 C ILE A 59 -4.093 6.217 4.696 1.00 0.13 C ATOM 929 O ILE A 59 -4.284 5.119 4.168 1.00 72.11 O ATOM 930 CB ILE A 59 -3.745 6.483 7.186 1.00 30.05 C ATOM 931 CG1 ILE A 59 -2.699 6.586 8.308 1.00 63.43 C ATOM 932 CG2 ILE A 59 -4.669 5.285 7.416 1.00 74.04 C ATOM 933 CD1 ILE A 59 -3.288 6.754 9.694 1.00 53.05 C ATOM 0 H ILE A 59 -2.258 8.274 6.268 1.00 3.23 H new ATOM 0 HA ILE A 59 -2.392 5.501 5.807 1.00 34.22 H new ATOM 0 HB ILE A 59 -4.357 7.385 7.195 1.00 30.05 H new ATOM 0 HG12 ILE A 59 -2.080 5.689 8.295 1.00 63.43 H new ATOM 0 HG13 ILE A 59 -2.042 7.430 8.100 1.00 63.43 H new ATOM 0 HG21 ILE A 59 -5.153 5.380 8.388 1.00 74.04 H new ATOM 0 HG22 ILE A 59 -5.428 5.256 6.634 1.00 74.04 H new ATOM 0 HG23 ILE A 59 -4.085 4.365 7.390 1.00 74.04 H new ATOM 0 HD11 ILE A 59 -2.483 6.819 10.426 1.00 53.05 H new ATOM 0 HD12 ILE A 59 -3.884 7.666 9.728 1.00 53.05 H new ATOM 0 HD13 ILE A 59 -3.922 5.898 9.926 1.00 53.05 H new ATOM 945 N GLU A 60 -4.762 7.320 4.343 1.00 34.33 N ATOM 946 CA GLU A 60 -5.761 7.330 3.260 1.00 60.33 C ATOM 947 C GLU A 60 -5.193 6.722 1.971 1.00 21.14 C ATOM 948 O GLU A 60 -5.771 5.799 1.391 1.00 34.32 O ATOM 949 CB GLU A 60 -6.228 8.769 2.979 1.00 70.23 C ATOM 950 CG GLU A 60 -7.063 9.391 4.093 1.00 42.43 C ATOM 951 CD GLU A 60 -8.393 8.684 4.292 1.00 30.34 C ATOM 952 OE1 GLU A 60 -9.276 8.828 3.419 1.00 14.23 O ATOM 953 OE2 GLU A 60 -8.562 7.989 5.318 1.00 61.44 O ATOM 0 H GLU A 60 -4.631 8.226 4.793 1.00 34.33 H new ATOM 0 HA GLU A 60 -6.607 6.726 3.587 1.00 60.33 H new ATOM 0 HB2 GLU A 60 -5.352 9.395 2.806 1.00 70.23 H new ATOM 0 HB3 GLU A 60 -6.811 8.775 2.058 1.00 70.23 H new ATOM 0 HG2 GLU A 60 -6.498 9.362 5.025 1.00 42.43 H new ATOM 0 HG3 GLU A 60 -7.245 10.441 3.863 1.00 42.43 H new ATOM 960 N THR A 61 -4.052 7.252 1.537 1.00 13.11 N ATOM 961 CA THR A 61 -3.371 6.770 0.331 1.00 4.23 C ATOM 962 C THR A 61 -3.065 5.268 0.419 1.00 0.31 C ATOM 963 O THR A 61 -3.371 4.500 -0.497 1.00 4.24 O ATOM 964 CB THR A 61 -2.040 7.531 0.105 1.00 21.24 C ATOM 965 OG1 THR A 61 -2.281 8.946 0.050 1.00 50.51 O ATOM 966 CG2 THR A 61 -1.357 7.086 -1.186 1.00 53.54 C ATOM 0 H THR A 61 -3.574 8.022 2.005 1.00 13.11 H new ATOM 0 HA THR A 61 -4.047 6.951 -0.505 1.00 4.23 H new ATOM 0 HB THR A 61 -1.382 7.301 0.943 1.00 21.24 H new ATOM 0 HG1 THR A 61 -2.455 9.284 0.953 1.00 50.51 H new ATOM 0 HG21 THR A 61 -0.427 7.639 -1.315 1.00 53.54 H new ATOM 0 HG22 THR A 61 -1.141 6.019 -1.134 1.00 53.54 H new ATOM 0 HG23 THR A 61 -2.015 7.282 -2.032 1.00 53.54 H new ATOM 974 N THR A 62 -2.473 4.860 1.539 1.00 54.33 N ATOM 975 CA THR A 62 -2.022 3.474 1.730 1.00 14.21 C ATOM 976 C THR A 62 -3.182 2.464 1.753 1.00 64.24 C ATOM 977 O THR A 62 -3.220 1.546 0.934 1.00 12.41 O ATOM 978 CB THR A 62 -1.202 3.319 3.035 1.00 13.01 C ATOM 979 OG1 THR A 62 -0.079 4.212 3.020 1.00 24.53 O ATOM 980 CG2 THR A 62 -0.708 1.885 3.205 1.00 5.43 C ATOM 0 H THR A 62 -2.291 5.470 2.336 1.00 54.33 H new ATOM 0 HA THR A 62 -1.392 3.253 0.868 1.00 14.21 H new ATOM 0 HB THR A 62 -1.854 3.564 3.873 1.00 13.01 H new ATOM 0 HG1 THR A 62 -0.377 5.116 3.253 1.00 24.53 H new ATOM 0 HG21 THR A 62 -0.135 1.805 4.129 1.00 5.43 H new ATOM 0 HG22 THR A 62 -1.562 1.209 3.247 1.00 5.43 H new ATOM 0 HG23 THR A 62 -0.074 1.616 2.360 1.00 5.43 H new ATOM 988 N ASN A 63 -4.129 2.635 2.683 1.00 34.10 N ATOM 989 CA ASN A 63 -5.196 1.637 2.886 1.00 32.32 C ATOM 990 C ASN A 63 -6.001 1.398 1.596 1.00 24.30 C ATOM 991 O ASN A 63 -6.380 0.269 1.282 1.00 11.43 O ATOM 992 CB ASN A 63 -6.135 2.054 4.035 1.00 22.42 C ATOM 993 CG ASN A 63 -7.199 3.062 3.620 1.00 14.34 C ATOM 994 OD1 ASN A 63 -8.291 2.693 3.210 1.00 44.31 O ATOM 995 ND2 ASN A 63 -6.903 4.337 3.735 1.00 34.44 N ATOM 0 H ASN A 63 -4.182 3.444 3.302 1.00 34.10 H new ATOM 0 HA ASN A 63 -4.712 0.699 3.159 1.00 32.32 H new ATOM 0 HB2 ASN A 63 -6.625 1.165 4.433 1.00 22.42 H new ATOM 0 HB3 ASN A 63 -5.540 2.479 4.843 1.00 22.42 H new ATOM 0 HD21 ASN A 63 -7.591 5.045 3.480 1.00 34.44 H new ATOM 0 HD22 ASN A 63 -5.985 4.618 4.080 1.00 34.44 H new ATOM 1002 N ARG A 64 -6.238 2.471 0.845 1.00 74.05 N ATOM 1003 CA ARG A 64 -7.010 2.392 -0.395 1.00 21.42 C ATOM 1004 C ARG A 64 -6.222 1.663 -1.496 1.00 74.34 C ATOM 1005 O ARG A 64 -6.784 0.871 -2.255 1.00 2.11 O ATOM 1006 CB ARG A 64 -7.402 3.806 -0.839 1.00 4.50 C ATOM 1007 CG ARG A 64 -8.473 3.855 -1.925 1.00 22.53 C ATOM 1008 CD ARG A 64 -9.064 5.255 -2.037 1.00 12.25 C ATOM 1009 NE ARG A 64 -9.570 5.725 -0.744 1.00 2.53 N ATOM 1010 CZ ARG A 64 -9.643 6.981 -0.389 1.00 21.42 C ATOM 1011 NH1 ARG A 64 -9.314 7.924 -1.209 1.00 75.32 N ATOM 1012 NH2 ARG A 64 -10.056 7.296 0.794 1.00 40.21 N ATOM 0 H ARG A 64 -5.906 3.408 1.073 1.00 74.05 H new ATOM 0 HA ARG A 64 -7.915 1.813 -0.213 1.00 21.42 H new ATOM 0 HB2 ARG A 64 -7.758 4.360 0.030 1.00 4.50 H new ATOM 0 HB3 ARG A 64 -6.511 4.319 -1.202 1.00 4.50 H new ATOM 0 HG2 ARG A 64 -8.042 3.560 -2.881 1.00 22.53 H new ATOM 0 HG3 ARG A 64 -9.262 3.139 -1.697 1.00 22.53 H new ATOM 0 HD2 ARG A 64 -8.304 5.944 -2.405 1.00 12.25 H new ATOM 0 HD3 ARG A 64 -9.873 5.253 -2.768 1.00 12.25 H new ATOM 0 HE ARG A 64 -9.887 5.023 -0.075 1.00 2.53 H new ATOM 0 HH11 ARG A 64 -8.992 7.693 -2.149 1.00 75.32 H new ATOM 0 HH12 ARG A 64 -9.377 8.899 -0.916 1.00 75.32 H new ATOM 0 HH21 ARG A 64 -10.325 6.564 1.452 1.00 40.21 H new ATOM 0 HH22 ARG A 64 -10.113 8.276 1.070 1.00 40.21 H new ATOM 1026 N ALA A 65 -4.918 1.924 -1.565 1.00 13.21 N ATOM 1027 CA ALA A 65 -4.033 1.222 -2.504 1.00 71.21 C ATOM 1028 C ALA A 65 -3.970 -0.282 -2.184 1.00 12.21 C ATOM 1029 O ALA A 65 -4.008 -1.128 -3.083 1.00 73.30 O ATOM 1030 CB ALA A 65 -2.639 1.832 -2.461 1.00 62.10 C ATOM 0 H ALA A 65 -4.447 2.616 -0.983 1.00 13.21 H new ATOM 0 HA ALA A 65 -4.440 1.335 -3.509 1.00 71.21 H new ATOM 0 HB1 ALA A 65 -1.990 1.305 -3.160 1.00 62.10 H new ATOM 0 HB2 ALA A 65 -2.694 2.885 -2.739 1.00 62.10 H new ATOM 0 HB3 ALA A 65 -2.234 1.744 -1.453 1.00 62.10 H new ATOM 1036 N ILE A 66 -3.872 -0.601 -0.893 1.00 72.22 N ATOM 1037 CA ILE A 66 -3.902 -1.991 -0.426 1.00 5.40 C ATOM 1038 C ILE A 66 -5.222 -2.675 -0.818 1.00 23.52 C ATOM 1039 O ILE A 66 -5.221 -3.787 -1.348 1.00 2.41 O ATOM 1040 CB ILE A 66 -3.717 -2.070 1.115 1.00 63.22 C ATOM 1041 CG1 ILE A 66 -2.354 -1.483 1.530 1.00 3.25 C ATOM 1042 CG2 ILE A 66 -3.852 -3.511 1.611 1.00 63.44 C ATOM 1043 CD1 ILE A 66 -1.162 -2.191 0.914 1.00 44.44 C ATOM 0 H ILE A 66 -3.771 0.087 -0.147 1.00 72.22 H new ATOM 0 HA ILE A 66 -3.074 -2.511 -0.908 1.00 5.40 H new ATOM 0 HB ILE A 66 -4.505 -1.476 1.578 1.00 63.22 H new ATOM 0 HG12 ILE A 66 -2.323 -0.430 1.249 1.00 3.25 H new ATOM 0 HG13 ILE A 66 -2.267 -1.526 2.616 1.00 3.25 H new ATOM 0 HG21 ILE A 66 -3.718 -3.538 2.692 1.00 63.44 H new ATOM 0 HG22 ILE A 66 -4.842 -3.892 1.358 1.00 63.44 H new ATOM 0 HG23 ILE A 66 -3.092 -4.132 1.136 1.00 63.44 H new ATOM 0 HD11 ILE A 66 -0.241 -1.718 1.256 1.00 44.44 H new ATOM 0 HD12 ILE A 66 -1.165 -3.238 1.215 1.00 44.44 H new ATOM 0 HD13 ILE A 66 -1.222 -2.126 -0.172 1.00 44.44 H new ATOM 1055 N SER A 67 -6.342 -1.994 -0.561 1.00 50.05 N ATOM 1056 CA SER A 67 -7.672 -2.492 -0.949 1.00 65.03 C ATOM 1057 C SER A 67 -7.690 -2.937 -2.417 1.00 41.55 C ATOM 1058 O SER A 67 -8.152 -4.033 -2.744 1.00 31.14 O ATOM 1059 CB SER A 67 -8.736 -1.404 -0.727 1.00 43.42 C ATOM 1060 OG SER A 67 -10.003 -1.793 -1.244 1.00 30.34 O ATOM 0 H SER A 67 -6.358 -1.092 -0.084 1.00 50.05 H new ATOM 0 HA SER A 67 -7.900 -3.354 -0.322 1.00 65.03 H new ATOM 0 HB2 SER A 67 -8.826 -1.196 0.339 1.00 43.42 H new ATOM 0 HB3 SER A 67 -8.416 -0.479 -1.206 1.00 43.42 H new ATOM 0 HG SER A 67 -10.655 -1.079 -1.084 1.00 30.34 H new ATOM 1066 N LEU A 68 -7.163 -2.083 -3.296 1.00 1.23 N ATOM 1067 CA LEU A 68 -7.081 -2.392 -4.727 1.00 10.21 C ATOM 1068 C LEU A 68 -6.225 -3.643 -4.989 1.00 45.34 C ATOM 1069 O LEU A 68 -6.699 -4.620 -5.571 1.00 41.22 O ATOM 1070 CB LEU A 68 -6.506 -1.195 -5.500 1.00 25.01 C ATOM 1071 CG LEU A 68 -7.312 0.110 -5.388 1.00 41.32 C ATOM 1072 CD1 LEU A 68 -6.625 1.237 -6.155 1.00 74.21 C ATOM 1073 CD2 LEU A 68 -8.742 -0.095 -5.884 1.00 14.11 C ATOM 0 H LEU A 68 -6.786 -1.170 -3.043 1.00 1.23 H new ATOM 0 HA LEU A 68 -8.093 -2.596 -5.077 1.00 10.21 H new ATOM 0 HB2 LEU A 68 -5.492 -1.008 -5.145 1.00 25.01 H new ATOM 0 HB3 LEU A 68 -6.430 -1.466 -6.553 1.00 25.01 H new ATOM 0 HG LEU A 68 -7.356 0.396 -4.337 1.00 41.32 H new ATOM 0 HD11 LEU A 68 -7.212 2.151 -6.062 1.00 74.21 H new ATOM 0 HD12 LEU A 68 -5.629 1.402 -5.744 1.00 74.21 H new ATOM 0 HD13 LEU A 68 -6.543 0.964 -7.207 1.00 74.21 H new ATOM 0 HD21 LEU A 68 -9.295 0.840 -5.796 1.00 14.11 H new ATOM 0 HD22 LEU A 68 -8.724 -0.409 -6.928 1.00 14.11 H new ATOM 0 HD23 LEU A 68 -9.229 -0.863 -5.283 1.00 14.11 H new ATOM 1085 N TYR A 69 -4.974 -3.621 -4.528 1.00 3.23 N ATOM 1086 CA TYR A 69 -4.029 -4.715 -4.797 1.00 41.52 C ATOM 1087 C TYR A 69 -4.225 -5.930 -3.871 1.00 53.50 C ATOM 1088 O TYR A 69 -3.330 -6.766 -3.724 1.00 21.34 O ATOM 1089 CB TYR A 69 -2.587 -4.193 -4.733 1.00 21.03 C ATOM 1090 CG TYR A 69 -2.169 -3.494 -6.010 1.00 64.31 C ATOM 1091 CD1 TYR A 69 -2.530 -2.174 -6.260 1.00 2.10 C ATOM 1092 CD2 TYR A 69 -1.441 -4.171 -6.983 1.00 74.03 C ATOM 1093 CE1 TYR A 69 -2.176 -1.551 -7.440 1.00 22.44 C ATOM 1094 CE2 TYR A 69 -1.077 -3.550 -8.162 1.00 22.14 C ATOM 1095 CZ TYR A 69 -1.450 -2.242 -8.388 1.00 42.03 C ATOM 1096 OH TYR A 69 -1.106 -1.630 -9.574 1.00 31.21 O ATOM 0 H TYR A 69 -4.588 -2.861 -3.967 1.00 3.23 H new ATOM 0 HA TYR A 69 -4.236 -5.075 -5.805 1.00 41.52 H new ATOM 0 HB2 TYR A 69 -2.490 -3.502 -3.895 1.00 21.03 H new ATOM 0 HB3 TYR A 69 -1.910 -5.025 -4.539 1.00 21.03 H new ATOM 0 HD1 TYR A 69 -3.096 -1.628 -5.520 1.00 2.10 H new ATOM 0 HD2 TYR A 69 -1.156 -5.199 -6.814 1.00 74.03 H new ATOM 0 HE1 TYR A 69 -2.466 -0.527 -7.620 1.00 22.44 H new ATOM 0 HE2 TYR A 69 -0.503 -4.086 -8.903 1.00 22.14 H new ATOM 0 HH TYR A 69 -0.859 -0.697 -9.401 1.00 31.21 H new ATOM 1106 N MET A 70 -5.397 -6.023 -3.253 1.00 1.25 N ATOM 1107 CA MET A 70 -5.819 -7.246 -2.557 1.00 52.00 C ATOM 1108 C MET A 70 -7.114 -7.783 -3.180 1.00 54.12 C ATOM 1109 O MET A 70 -7.158 -8.914 -3.670 1.00 31.15 O ATOM 1110 CB MET A 70 -6.013 -6.987 -1.056 1.00 24.33 C ATOM 1111 CG MET A 70 -4.726 -6.629 -0.323 1.00 14.30 C ATOM 1112 SD MET A 70 -3.428 -7.870 -0.535 1.00 62.22 S ATOM 1113 CE MET A 70 -4.214 -9.315 0.177 1.00 15.43 C ATOM 0 H MET A 70 -6.079 -5.265 -3.217 1.00 1.25 H new ATOM 0 HA MET A 70 -5.034 -7.994 -2.669 1.00 52.00 H new ATOM 0 HB2 MET A 70 -6.731 -6.178 -0.926 1.00 24.33 H new ATOM 0 HB3 MET A 70 -6.447 -7.875 -0.597 1.00 24.33 H new ATOM 0 HG2 MET A 70 -4.364 -5.666 -0.684 1.00 14.30 H new ATOM 0 HG3 MET A 70 -4.939 -6.511 0.739 1.00 14.30 H new ATOM 0 HE1 MET A 70 -3.469 -10.095 0.331 1.00 15.43 H new ATOM 0 HE2 MET A 70 -4.665 -9.050 1.133 1.00 15.43 H new ATOM 0 HE3 MET A 70 -4.987 -9.680 -0.500 1.00 15.43 H new ATOM 1123 N ALA A 71 -8.156 -6.950 -3.188 1.00 53.31 N ATOM 1124 CA ALA A 71 -9.450 -7.323 -3.773 1.00 32.41 C ATOM 1125 C ALA A 71 -9.314 -7.717 -5.255 1.00 24.25 C ATOM 1126 O ALA A 71 -9.843 -8.744 -5.684 1.00 44.51 O ATOM 1127 CB ALA A 71 -10.448 -6.180 -3.618 1.00 25.43 C ATOM 0 H ALA A 71 -8.131 -6.009 -2.795 1.00 53.31 H new ATOM 0 HA ALA A 71 -9.818 -8.195 -3.233 1.00 32.41 H new ATOM 0 HB1 ALA A 71 -11.403 -6.469 -4.056 1.00 25.43 H new ATOM 0 HB2 ALA A 71 -10.586 -5.959 -2.560 1.00 25.43 H new ATOM 0 HB3 ALA A 71 -10.069 -5.294 -4.128 1.00 25.43 H new ATOM 1133 N ASN A 72 -8.599 -6.897 -6.030 1.00 40.34 N ATOM 1134 CA ASN A 72 -8.384 -7.169 -7.457 1.00 54.10 C ATOM 1135 C ASN A 72 -7.609 -8.483 -7.661 1.00 40.40 C ATOM 1136 O ASN A 72 -7.936 -9.278 -8.543 1.00 72.23 O ATOM 1137 CB ASN A 72 -7.631 -5.999 -8.114 1.00 63.33 C ATOM 1138 CG ASN A 72 -7.397 -6.196 -9.604 1.00 62.50 C ATOM 1139 OD1 ASN A 72 -8.179 -6.846 -10.294 1.00 43.14 O ATOM 1140 ND2 ASN A 72 -6.322 -5.632 -10.120 1.00 43.40 N ATOM 0 H ASN A 72 -8.159 -6.040 -5.695 1.00 40.34 H new ATOM 0 HA ASN A 72 -9.359 -7.275 -7.932 1.00 54.10 H new ATOM 0 HB2 ASN A 72 -8.196 -5.080 -7.960 1.00 63.33 H new ATOM 0 HB3 ASN A 72 -6.670 -5.869 -7.616 1.00 63.33 H new ATOM 0 HD21 ASN A 72 -6.123 -5.730 -11.116 1.00 43.40 H new ATOM 0 HD22 ASN A 72 -5.690 -5.098 -9.523 1.00 43.40 H new ATOM 1147 N LEU A 73 -6.591 -8.710 -6.829 1.00 64.11 N ATOM 1148 CA LEU A 73 -5.776 -9.929 -6.907 1.00 62.04 C ATOM 1149 C LEU A 73 -6.627 -11.183 -6.647 1.00 32.33 C ATOM 1150 O LEU A 73 -6.674 -12.099 -7.472 1.00 11.34 O ATOM 1151 CB LEU A 73 -4.616 -9.857 -5.902 1.00 34.35 C ATOM 1152 CG LEU A 73 -3.658 -11.063 -5.916 1.00 13.43 C ATOM 1153 CD1 LEU A 73 -3.002 -11.220 -7.287 1.00 41.54 C ATOM 1154 CD2 LEU A 73 -2.600 -10.927 -4.824 1.00 54.30 C ATOM 0 H LEU A 73 -6.309 -8.065 -6.091 1.00 64.11 H new ATOM 0 HA LEU A 73 -5.369 -10.000 -7.916 1.00 62.04 H new ATOM 0 HB2 LEU A 73 -4.040 -8.954 -6.101 1.00 34.35 H new ATOM 0 HB3 LEU A 73 -5.031 -9.755 -4.899 1.00 34.35 H new ATOM 0 HG LEU A 73 -4.242 -11.961 -5.714 1.00 13.43 H new ATOM 0 HD11 LEU A 73 -2.330 -12.078 -7.273 1.00 41.54 H new ATOM 0 HD12 LEU A 73 -3.772 -11.375 -8.043 1.00 41.54 H new ATOM 0 HD13 LEU A 73 -2.436 -10.319 -7.525 1.00 41.54 H new ATOM 0 HD21 LEU A 73 -1.935 -11.790 -4.853 1.00 54.30 H new ATOM 0 HD22 LEU A 73 -2.022 -10.017 -4.988 1.00 54.30 H new ATOM 0 HD23 LEU A 73 -3.087 -10.876 -3.850 1.00 54.30 H new ATOM 1166 N GLU A 74 -7.307 -11.210 -5.498 1.00 55.44 N ATOM 1167 CA GLU A 74 -8.197 -12.323 -5.143 1.00 5.43 C ATOM 1168 C GLU A 74 -9.258 -12.549 -6.232 1.00 61.53 C ATOM 1169 O GLU A 74 -9.466 -13.671 -6.697 1.00 31.14 O ATOM 1170 CB GLU A 74 -8.886 -12.042 -3.799 1.00 70.43 C ATOM 1171 CG GLU A 74 -7.919 -11.853 -2.636 1.00 21.12 C ATOM 1172 CD GLU A 74 -8.626 -11.486 -1.339 1.00 43.51 C ATOM 1173 OE1 GLU A 74 -9.122 -12.398 -0.648 1.00 13.11 O ATOM 1174 OE2 GLU A 74 -8.704 -10.284 -1.010 1.00 55.40 O ATOM 0 H GLU A 74 -7.259 -10.473 -4.795 1.00 55.44 H new ATOM 0 HA GLU A 74 -7.591 -13.225 -5.057 1.00 5.43 H new ATOM 0 HB2 GLU A 74 -9.500 -11.147 -3.897 1.00 70.43 H new ATOM 0 HB3 GLU A 74 -9.560 -12.867 -3.568 1.00 70.43 H new ATOM 0 HG2 GLU A 74 -7.351 -12.771 -2.488 1.00 21.12 H new ATOM 0 HG3 GLU A 74 -7.202 -11.072 -2.888 1.00 21.12 H new ATOM 1181 N HIS A 75 -9.906 -11.464 -6.650 1.00 3.52 N ATOM 1182 CA HIS A 75 -10.953 -11.522 -7.678 1.00 70.01 C ATOM 1183 C HIS A 75 -10.391 -11.993 -9.035 1.00 11.25 C ATOM 1184 O HIS A 75 -11.123 -12.531 -9.870 1.00 44.55 O ATOM 1185 CB HIS A 75 -11.603 -10.139 -7.825 1.00 11.31 C ATOM 1186 CG HIS A 75 -12.879 -10.138 -8.613 1.00 75.30 C ATOM 1187 ND1 HIS A 75 -13.029 -9.470 -9.808 1.00 63.42 N ATOM 1188 CD2 HIS A 75 -14.080 -10.701 -8.351 1.00 10.24 C ATOM 1189 CE1 HIS A 75 -14.263 -9.622 -10.243 1.00 1.03 C ATOM 1190 NE2 HIS A 75 -14.923 -10.363 -9.379 1.00 60.32 N ATOM 0 H HIS A 75 -9.726 -10.526 -6.292 1.00 3.52 H new ATOM 0 HA HIS A 75 -11.702 -12.249 -7.363 1.00 70.01 H new ATOM 0 HB2 HIS A 75 -11.803 -9.737 -6.832 1.00 11.31 H new ATOM 0 HB3 HIS A 75 -10.893 -9.466 -8.305 1.00 11.31 H new ATOM 0 HD2 HIS A 75 -14.330 -11.305 -7.491 1.00 10.24 H new ATOM 0 HE1 HIS A 75 -14.665 -9.208 -11.156 1.00 1.03 H new ATOM 0 HE2 HIS A 75 -15.901 -10.641 -9.460 1.00 60.32 H new ATOM 1199 N HIS A 76 -9.091 -11.784 -9.243 1.00 43.40 N ATOM 1200 CA HIS A 76 -8.423 -12.179 -10.492 1.00 41.00 C ATOM 1201 C HIS A 76 -7.913 -13.635 -10.445 1.00 14.24 C ATOM 1202 O HIS A 76 -7.506 -14.189 -11.471 1.00 31.31 O ATOM 1203 CB HIS A 76 -7.259 -11.218 -10.780 1.00 1.01 C ATOM 1204 CG HIS A 76 -6.540 -11.496 -12.065 1.00 31.22 C ATOM 1205 ND1 HIS A 76 -7.084 -11.234 -13.302 1.00 22.23 N ATOM 1206 CD2 HIS A 76 -5.315 -12.026 -12.305 1.00 14.00 C ATOM 1207 CE1 HIS A 76 -6.235 -11.589 -14.242 1.00 62.20 C ATOM 1208 NE2 HIS A 76 -5.156 -12.073 -13.664 1.00 1.11 N ATOM 0 H HIS A 76 -8.474 -11.342 -8.562 1.00 43.40 H new ATOM 0 HA HIS A 76 -9.158 -12.122 -11.295 1.00 41.00 H new ATOM 0 HB2 HIS A 76 -7.642 -10.198 -10.804 1.00 1.01 H new ATOM 0 HB3 HIS A 76 -6.545 -11.272 -9.958 1.00 1.01 H new ATOM 0 HD2 HIS A 76 -4.600 -12.350 -11.564 1.00 14.00 H new ATOM 0 HE1 HIS A 76 -6.396 -11.499 -15.306 1.00 62.20 H new ATOM 0 HE2 HIS A 76 -4.333 -12.427 -14.151 1.00 1.11 H new ATOM 1217 N HIS A 77 -7.935 -14.250 -9.261 1.00 20.13 N ATOM 1218 CA HIS A 77 -7.493 -15.646 -9.101 1.00 51.45 C ATOM 1219 C HIS A 77 -8.248 -16.586 -10.059 1.00 44.10 C ATOM 1220 O HIS A 77 -7.664 -17.508 -10.627 1.00 13.34 O ATOM 1221 CB HIS A 77 -7.681 -16.100 -7.644 1.00 5.43 C ATOM 1222 CG HIS A 77 -7.190 -17.493 -7.375 1.00 22.22 C ATOM 1223 ND1 HIS A 77 -8.033 -18.564 -7.161 1.00 75.32 N ATOM 1224 CD2 HIS A 77 -5.931 -17.988 -7.279 1.00 55.15 C ATOM 1225 CE1 HIS A 77 -7.319 -19.651 -6.946 1.00 14.32 C ATOM 1226 NE2 HIS A 77 -6.045 -19.329 -7.015 1.00 32.33 N ATOM 0 H HIS A 77 -8.253 -13.809 -8.398 1.00 20.13 H new ATOM 0 HA HIS A 77 -6.434 -15.695 -9.353 1.00 51.45 H new ATOM 0 HB2 HIS A 77 -7.156 -15.407 -6.987 1.00 5.43 H new ATOM 0 HB3 HIS A 77 -8.739 -16.042 -7.389 1.00 5.43 H new ATOM 0 HD2 HIS A 77 -5.012 -17.431 -7.390 1.00 55.15 H new ATOM 0 HE1 HIS A 77 -7.712 -20.637 -6.747 1.00 14.32 H new ATOM 0 HE2 HIS A 77 -5.265 -19.975 -6.892 1.00 32.33 H new ATOM 1235 N HIS A 78 -9.546 -16.341 -10.225 1.00 42.11 N ATOM 1236 CA HIS A 78 -10.377 -17.097 -11.173 1.00 13.21 C ATOM 1237 C HIS A 78 -11.712 -16.377 -11.413 1.00 71.43 C ATOM 1238 O HIS A 78 -11.998 -15.918 -12.519 1.00 41.03 O ATOM 1239 CB HIS A 78 -10.623 -18.526 -10.658 1.00 53.53 C ATOM 1240 CG HIS A 78 -11.516 -19.348 -11.544 1.00 53.35 C ATOM 1241 ND1 HIS A 78 -11.078 -19.955 -12.699 1.00 12.30 N ATOM 1242 CD2 HIS A 78 -12.830 -19.666 -11.434 1.00 53.14 C ATOM 1243 CE1 HIS A 78 -12.076 -20.605 -13.260 1.00 71.32 C ATOM 1244 NE2 HIS A 78 -13.150 -20.448 -12.515 1.00 54.41 N ATOM 0 H HIS A 78 -10.053 -15.619 -9.713 1.00 42.11 H new ATOM 0 HA HIS A 78 -9.843 -17.160 -12.121 1.00 13.21 H new ATOM 0 HB2 HIS A 78 -9.664 -19.034 -10.554 1.00 53.53 H new ATOM 0 HB3 HIS A 78 -11.065 -18.472 -9.663 1.00 53.53 H new ATOM 0 HD2 HIS A 78 -13.499 -19.361 -10.643 1.00 53.14 H new ATOM 0 HE1 HIS A 78 -12.023 -21.172 -14.178 1.00 71.32 H new ATOM 0 HE2 HIS A 78 -14.070 -20.843 -12.710 1.00 54.41 H new ATOM 1253 N HIS A 79 -12.519 -16.286 -10.359 1.00 11.12 N ATOM 1254 CA HIS A 79 -13.809 -15.589 -10.409 1.00 21.24 C ATOM 1255 C HIS A 79 -14.457 -15.586 -9.018 1.00 53.44 C ATOM 1256 O HIS A 79 -15.012 -16.598 -8.581 1.00 25.35 O ATOM 1257 CB HIS A 79 -14.747 -16.240 -11.439 1.00 42.52 C ATOM 1258 CG HIS A 79 -15.982 -15.436 -11.718 1.00 1.04 C ATOM 1259 ND1 HIS A 79 -15.959 -14.253 -12.425 1.00 33.25 N ATOM 1260 CD2 HIS A 79 -17.281 -15.650 -11.394 1.00 11.12 C ATOM 1261 CE1 HIS A 79 -17.182 -13.775 -12.521 1.00 74.54 C ATOM 1262 NE2 HIS A 79 -18.001 -14.600 -11.907 1.00 62.33 N ATOM 0 H HIS A 79 -12.302 -16.690 -9.448 1.00 11.12 H new ATOM 0 HA HIS A 79 -13.633 -14.559 -10.720 1.00 21.24 H new ATOM 0 HB2 HIS A 79 -14.202 -16.389 -12.371 1.00 42.52 H new ATOM 0 HB3 HIS A 79 -15.039 -17.227 -11.079 1.00 42.52 H new ATOM 0 HD2 HIS A 79 -17.675 -16.488 -10.838 1.00 11.12 H new ATOM 0 HE1 HIS A 79 -17.465 -12.860 -13.020 1.00 74.54 H new ATOM 0 HE2 HIS A 79 -19.010 -14.479 -11.825 1.00 62.33 H new ATOM 1271 N HIS A 80 -14.367 -14.447 -8.333 1.00 51.31 N ATOM 1272 CA HIS A 80 -14.816 -14.321 -6.933 1.00 22.35 C ATOM 1273 C HIS A 80 -13.989 -15.237 -5.998 1.00 23.33 C ATOM 1274 O HIS A 80 -14.438 -16.370 -5.698 1.00 37.79 O ATOM 1275 CB HIS A 80 -16.320 -14.632 -6.807 1.00 32.45 C ATOM 1276 CG HIS A 80 -16.881 -14.366 -5.441 1.00 65.55 C ATOM 1277 ND1 HIS A 80 -16.683 -15.210 -4.371 1.00 40.02 N ATOM 1278 CD2 HIS A 80 -17.633 -13.341 -4.971 1.00 3.03 C ATOM 1279 CE1 HIS A 80 -17.284 -14.720 -3.307 1.00 71.53 C ATOM 1280 NE2 HIS A 80 -17.867 -13.589 -3.642 1.00 54.12 N ATOM 1281 OXT HIS A 80 -12.879 -14.827 -5.599 1.00 37.79 O ATOM 0 H HIS A 80 -13.984 -13.586 -8.723 1.00 51.31 H new ATOM 0 HA HIS A 80 -14.654 -13.288 -6.624 1.00 22.35 H new ATOM 0 HB2 HIS A 80 -16.867 -14.035 -7.537 1.00 32.45 H new ATOM 0 HB3 HIS A 80 -16.488 -15.679 -7.061 1.00 32.45 H new ATOM 0 HD1 HIS A 80 -16.152 -16.081 -4.399 1.00 40.02 H new ATOM 0 HD2 HIS A 80 -17.982 -12.489 -5.536 1.00 3.03 H new ATOM 0 HE1 HIS A 80 -17.296 -15.170 -2.325 1.00 71.53 H new TER 1290 HIS A 80