USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 640 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 47 SER OG : rot -102:sc= 0.445 USER MOD Set 1.2: A 54 GLN : amide:sc= -0.399 K(o=-0.28,f=-7.7!) USER MOD Set 1.3: A 61 HIS : no HD1:sc= -0.331 X(o=-0.28,f=-0.28) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.35 X(o=-0.35,f=-0.73) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.01) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 0.519 (180deg=-0.0103) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0527 USER MOD Single : A 29 GLN : amide:sc= 0.153 K(o=0.15,f=-4.7!) USER MOD Single : A 36 ASN : amide:sc= -3.61! C(o=-3.6!,f=-8.7!) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0.29 (180deg=0.158) USER MOD Single : A 43 MET CE :methyl -166:sc= -0.106 (180deg=-0.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 60 GLN : amide:sc= 0.4 X(o=0.4,f=-0.02) USER MOD Single : A 65 TYR OH : rot -102:sc= 0.519 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.508 10.071 -7.983 1.00 0.00 N ATOM 2 CA ALA A 1 -6.987 9.245 -6.892 1.00 0.00 C ATOM 3 C ALA A 1 -5.622 8.693 -7.255 1.00 0.00 C ATOM 4 O ALA A 1 -5.484 8.036 -8.291 1.00 0.00 O ATOM 5 CB ALA A 1 -7.912 8.078 -6.560 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.443 10.443 -7.721 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.858 10.863 -8.160 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.593 9.495 -8.844 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.916 9.890 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.483 7.494 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.887 8.461 -6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.027 7.444 -7.439 1.00 0.00 H new ATOM 13 N ASN A 2 -4.622 8.900 -6.398 1.00 0.00 N ATOM 14 CA ASN A 2 -3.425 8.069 -6.372 1.00 0.00 C ATOM 15 C ASN A 2 -3.721 6.967 -5.365 1.00 0.00 C ATOM 16 O ASN A 2 -4.201 7.270 -4.271 1.00 0.00 O ATOM 17 CB ASN A 2 -2.118 8.765 -5.915 1.00 0.00 C ATOM 18 CG ASN A 2 -2.075 10.251 -5.596 1.00 0.00 C ATOM 19 OD1 ASN A 2 -1.406 10.630 -4.636 1.00 0.00 O ATOM 20 ND2 ASN A 2 -2.697 11.121 -6.365 1.00 0.00 N ATOM 0 H ASN A 2 -4.622 9.648 -5.705 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.237 7.747 -7.396 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.776 8.240 -5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.376 8.587 -6.694 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -2.626 12.119 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.249 10.797 -7.159 1.00 0.00 H new ATOM 27 N VAL A 3 -3.398 5.721 -5.693 1.00 0.00 N ATOM 28 CA VAL A 3 -3.398 4.604 -4.763 1.00 0.00 C ATOM 29 C VAL A 3 -2.137 3.854 -5.050 1.00 0.00 C ATOM 30 O VAL A 3 -2.092 2.958 -5.888 1.00 0.00 O ATOM 31 CB VAL A 3 -4.659 3.738 -4.851 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.539 2.408 -4.077 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.760 4.599 -4.238 1.00 0.00 C ATOM 0 H VAL A 3 -3.122 5.456 -6.638 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.422 4.951 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.852 3.450 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.465 1.842 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.711 1.825 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.356 2.616 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.703 4.053 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.503 4.838 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.861 5.522 -4.809 1.00 0.00 H new ATOM 43 N GLU A 4 -1.095 4.285 -4.372 1.00 0.00 N ATOM 44 CA GLU A 4 0.189 3.658 -4.463 1.00 0.00 C ATOM 45 C GLU A 4 0.281 2.598 -3.383 1.00 0.00 C ATOM 46 O GLU A 4 -0.220 2.816 -2.278 1.00 0.00 O ATOM 47 CB GLU A 4 1.223 4.762 -4.235 1.00 0.00 C ATOM 48 CG GLU A 4 1.428 5.731 -5.405 1.00 0.00 C ATOM 49 CD GLU A 4 2.403 6.850 -5.019 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.286 7.431 -3.920 1.00 0.00 O ATOM 51 OE2 GLU A 4 3.315 7.188 -5.812 1.00 0.00 O ATOM 0 H GLU A 4 -1.124 5.086 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 4 0.356 3.178 -5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.926 5.337 -3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.180 4.296 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.813 5.189 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.471 6.162 -5.699 1.00 0.00 H new ATOM 58 N ILE A 5 0.935 1.471 -3.673 1.00 0.00 N ATOM 59 CA ILE A 5 1.169 0.441 -2.677 1.00 0.00 C ATOM 60 C ILE A 5 2.570 -0.153 -2.834 1.00 0.00 C ATOM 61 O ILE A 5 2.891 -0.763 -3.852 1.00 0.00 O ATOM 62 CB ILE A 5 -0.014 -0.549 -2.651 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.044 -1.330 -1.316 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.138 -1.481 -3.866 1.00 0.00 C ATOM 65 CD1 ILE A 5 -1.102 -2.323 -1.088 1.00 0.00 C ATOM 0 H ILE A 5 1.311 1.255 -4.596 1.00 0.00 H new ATOM 0 HA ILE A 5 1.185 0.859 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.926 0.043 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.988 -1.873 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.051 -0.613 -0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.003 -2.132 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.262 -0.885 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.763 -2.088 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.969 -2.818 -0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.052 -1.789 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.101 -3.069 -1.883 1.00 0.00 H new ATOM 77 N TYR A 6 3.430 0.080 -1.841 1.00 0.00 N ATOM 78 CA TYR A 6 4.764 -0.507 -1.769 1.00 0.00 C ATOM 79 C TYR A 6 4.643 -1.971 -1.373 1.00 0.00 C ATOM 80 O TYR A 6 4.053 -2.253 -0.322 1.00 0.00 O ATOM 81 CB TYR A 6 5.637 0.238 -0.754 1.00 0.00 C ATOM 82 CG TYR A 6 6.050 1.627 -1.197 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.146 2.702 -1.090 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.329 1.841 -1.748 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.503 3.978 -1.548 1.00 0.00 C ATOM 86 CE2 TYR A 6 7.695 3.119 -2.202 1.00 0.00 C ATOM 87 CZ TYR A 6 6.774 4.183 -2.117 1.00 0.00 C ATOM 88 OH TYR A 6 7.085 5.406 -2.604 1.00 0.00 O ATOM 0 H TYR A 6 3.214 0.691 -1.054 1.00 0.00 H new ATOM 0 HA TYR A 6 5.239 -0.424 -2.747 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.095 0.315 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.533 -0.351 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.172 2.542 -0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.029 1.022 -1.821 1.00 0.00 H new ATOM 0 HE1 TYR A 6 4.807 4.799 -1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.679 3.286 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 6 7.997 5.393 -2.963 1.00 0.00 H new ATOM 98 N THR A 7 5.194 -2.886 -2.176 1.00 0.00 N ATOM 99 CA THR A 7 5.059 -4.325 -1.973 1.00 0.00 C ATOM 100 C THR A 7 6.362 -5.061 -2.322 1.00 0.00 C ATOM 101 O THR A 7 7.306 -4.454 -2.831 1.00 0.00 O ATOM 102 CB THR A 7 3.827 -4.844 -2.743 1.00 0.00 C ATOM 103 OG1 THR A 7 3.877 -4.531 -4.116 1.00 0.00 O ATOM 104 CG2 THR A 7 2.520 -4.246 -2.208 1.00 0.00 C ATOM 0 H THR A 7 5.752 -2.642 -2.994 1.00 0.00 H new ATOM 0 HA THR A 7 4.886 -4.533 -0.917 1.00 0.00 H new ATOM 0 HB THR A 7 3.848 -5.924 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.077 -4.881 -4.561 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.679 -4.639 -2.779 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.401 -4.512 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.549 -3.161 -2.306 1.00 0.00 H new ATOM 112 N LYS A 8 6.464 -6.352 -1.975 1.00 0.00 N ATOM 113 CA LYS A 8 7.647 -7.192 -2.198 1.00 0.00 C ATOM 114 C LYS A 8 7.224 -8.659 -2.272 1.00 0.00 C ATOM 115 O LYS A 8 6.057 -8.973 -2.020 1.00 0.00 O ATOM 116 CB LYS A 8 8.764 -6.965 -1.146 1.00 0.00 C ATOM 117 CG LYS A 8 8.390 -6.091 0.060 1.00 0.00 C ATOM 118 CD LYS A 8 9.560 -5.859 1.021 1.00 0.00 C ATOM 119 CE LYS A 8 9.929 -7.117 1.811 1.00 0.00 C ATOM 120 NZ LYS A 8 11.108 -6.862 2.655 1.00 0.00 N ATOM 0 H LYS A 8 5.703 -6.854 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 8 8.089 -6.898 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.090 -7.937 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.619 -6.511 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.024 -5.128 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.570 -6.562 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.429 -5.521 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.302 -5.060 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.088 -7.424 2.432 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.135 -7.938 1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.348 -7.724 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.912 -6.590 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.898 -6.092 3.322 1.00 0.00 H new ATOM 134 N GLU A 9 8.176 -9.539 -2.587 1.00 0.00 N ATOM 135 CA GLU A 9 7.962 -10.946 -2.891 1.00 0.00 C ATOM 136 C GLU A 9 7.357 -11.652 -1.680 1.00 0.00 C ATOM 137 O GLU A 9 6.189 -12.052 -1.692 1.00 0.00 O ATOM 138 CB GLU A 9 9.293 -11.610 -3.296 1.00 0.00 C ATOM 139 CG GLU A 9 10.020 -10.974 -4.479 1.00 0.00 C ATOM 140 CD GLU A 9 9.254 -11.142 -5.789 1.00 0.00 C ATOM 141 OE1 GLU A 9 8.227 -10.455 -5.987 1.00 0.00 O ATOM 142 OE2 GLU A 9 9.673 -11.988 -6.614 1.00 0.00 O ATOM 0 H GLU A 9 9.160 -9.274 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 9 7.268 -11.029 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.960 -11.598 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.098 -12.656 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.170 -9.912 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.008 -11.422 -4.579 1.00 0.00 H new ATOM 149 N THR A 10 8.153 -11.783 -0.623 1.00 0.00 N ATOM 150 CA THR A 10 7.747 -12.363 0.639 1.00 0.00 C ATOM 151 C THR A 10 7.126 -11.229 1.451 1.00 0.00 C ATOM 152 O THR A 10 7.821 -10.483 2.146 1.00 0.00 O ATOM 153 CB THR A 10 8.961 -13.034 1.300 1.00 0.00 C ATOM 154 OG1 THR A 10 9.406 -14.118 0.504 1.00 0.00 O ATOM 155 CG2 THR A 10 8.619 -13.631 2.661 1.00 0.00 C ATOM 0 H THR A 10 9.126 -11.477 -0.628 1.00 0.00 H new ATOM 0 HA THR A 10 7.004 -13.154 0.538 1.00 0.00 H new ATOM 0 HB THR A 10 9.717 -12.256 1.408 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.181 -14.540 0.930 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.508 -14.094 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.265 -12.843 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.839 -14.384 2.543 1.00 0.00 H new ATOM 163 N CYS A 11 5.812 -11.048 1.318 1.00 0.00 N ATOM 164 CA CYS A 11 5.061 -10.073 2.081 1.00 0.00 C ATOM 165 C CYS A 11 3.594 -10.518 2.156 1.00 0.00 C ATOM 166 O CYS A 11 2.796 -10.146 1.288 1.00 0.00 O ATOM 167 CB CYS A 11 5.214 -8.687 1.458 1.00 0.00 C ATOM 168 SG CYS A 11 4.418 -7.400 2.448 1.00 0.00 S ATOM 0 H CYS A 11 5.240 -11.585 0.667 1.00 0.00 H new ATOM 0 HA CYS A 11 5.448 -10.009 3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.273 -8.455 1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.783 -8.691 0.457 1.00 0.00 H new ATOM 173 N PRO A 12 3.200 -11.283 3.190 1.00 0.00 N ATOM 174 CA PRO A 12 1.836 -11.791 3.318 1.00 0.00 C ATOM 175 C PRO A 12 0.831 -10.647 3.370 1.00 0.00 C ATOM 176 O PRO A 12 -0.155 -10.652 2.635 1.00 0.00 O ATOM 177 CB PRO A 12 1.830 -12.653 4.588 1.00 0.00 C ATOM 178 CG PRO A 12 3.053 -12.197 5.378 1.00 0.00 C ATOM 179 CD PRO A 12 4.024 -11.711 4.312 1.00 0.00 C ATOM 0 HA PRO A 12 1.536 -12.388 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.914 -12.507 5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.889 -13.714 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.801 -11.402 6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.478 -13.014 5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.634 -10.889 4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.708 -12.506 4.014 1.00 0.00 H new ATOM 187 N TYR A 13 1.116 -9.604 4.151 1.00 0.00 N ATOM 188 CA TYR A 13 0.174 -8.510 4.314 1.00 0.00 C ATOM 189 C TYR A 13 0.129 -7.648 3.049 1.00 0.00 C ATOM 190 O TYR A 13 -0.928 -7.105 2.741 1.00 0.00 O ATOM 191 CB TYR A 13 0.535 -7.702 5.567 1.00 0.00 C ATOM 192 CG TYR A 13 0.202 -8.440 6.854 1.00 0.00 C ATOM 193 CD1 TYR A 13 -1.074 -8.292 7.432 1.00 0.00 C ATOM 194 CD2 TYR A 13 1.147 -9.281 7.475 1.00 0.00 C ATOM 195 CE1 TYR A 13 -1.420 -8.983 8.604 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.805 -9.985 8.645 1.00 0.00 C ATOM 197 CZ TYR A 13 -0.480 -9.838 9.214 1.00 0.00 C ATOM 198 OH TYR A 13 -0.807 -10.524 10.341 1.00 0.00 O ATOM 0 H TYR A 13 1.985 -9.499 4.674 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.831 -8.906 4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.600 -7.470 5.551 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.001 -6.752 5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.796 -7.638 6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.135 -9.386 7.052 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.402 -8.860 9.036 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.527 -10.640 9.109 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.043 -11.067 10.627 1.00 0.00 H new ATOM 208 N CYS A 14 1.204 -7.584 2.251 1.00 0.00 N ATOM 209 CA CYS A 14 1.145 -6.956 0.936 1.00 0.00 C ATOM 210 C CYS A 14 0.138 -7.689 0.074 1.00 0.00 C ATOM 211 O CYS A 14 -0.815 -7.075 -0.398 1.00 0.00 O ATOM 212 CB CYS A 14 2.493 -6.955 0.217 1.00 0.00 C ATOM 213 SG CYS A 14 3.859 -6.096 1.016 1.00 0.00 S ATOM 0 H CYS A 14 2.120 -7.960 2.498 1.00 0.00 H new ATOM 0 HA CYS A 14 0.852 -5.918 1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.792 -7.991 0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.348 -6.513 -0.769 1.00 0.00 H new ATOM 218 N HIS A 15 0.330 -8.997 -0.106 1.00 0.00 N ATOM 219 CA HIS A 15 -0.587 -9.803 -0.889 1.00 0.00 C ATOM 220 C HIS A 15 -2.021 -9.656 -0.370 1.00 0.00 C ATOM 221 O HIS A 15 -2.918 -9.490 -1.186 1.00 0.00 O ATOM 222 CB HIS A 15 -0.101 -11.255 -0.927 1.00 0.00 C ATOM 223 CG HIS A 15 -1.145 -12.191 -1.470 1.00 0.00 C ATOM 224 ND1 HIS A 15 -1.815 -12.076 -2.680 1.00 0.00 N ATOM 225 CD2 HIS A 15 -1.688 -13.226 -0.763 1.00 0.00 C ATOM 226 CE1 HIS A 15 -2.743 -13.049 -2.702 1.00 0.00 C ATOM 227 NE2 HIS A 15 -2.692 -13.752 -1.554 1.00 0.00 N ATOM 0 H HIS A 15 1.117 -9.515 0.284 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.603 -9.446 -1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.797 -11.320 -1.542 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.178 -11.569 0.079 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.392 -13.566 0.218 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.426 -13.238 -3.517 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.293 -14.539 -1.310 1.00 0.00 H new ATOM 236 N ARG A 16 -2.262 -9.653 0.947 1.00 0.00 N ATOM 237 CA ARG A 16 -3.607 -9.472 1.500 1.00 0.00 C ATOM 238 C ARG A 16 -4.243 -8.168 1.019 1.00 0.00 C ATOM 239 O ARG A 16 -5.364 -8.205 0.507 1.00 0.00 O ATOM 240 CB ARG A 16 -3.582 -9.547 3.036 1.00 0.00 C ATOM 241 CG ARG A 16 -3.292 -10.967 3.561 1.00 0.00 C ATOM 242 CD ARG A 16 -2.863 -10.956 5.038 1.00 0.00 C ATOM 243 NE ARG A 16 -3.752 -11.749 5.901 1.00 0.00 N ATOM 244 CZ ARG A 16 -3.578 -13.017 6.291 1.00 0.00 C ATOM 245 NH1 ARG A 16 -2.660 -13.801 5.734 1.00 0.00 N ATOM 246 NH2 ARG A 16 -4.344 -13.481 7.267 1.00 0.00 N ATOM 0 H ARG A 16 -1.536 -9.775 1.653 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.228 -10.289 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.824 -8.862 3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.542 -9.209 3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.182 -11.585 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.507 -11.424 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.847 -11.343 5.118 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.841 -9.927 5.397 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.593 -11.281 6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.065 -13.440 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.550 -14.764 6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.042 -12.876 7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.236 -14.444 7.587 1.00 0.00 H new ATOM 260 N ALA A 17 -3.550 -7.032 1.157 1.00 0.00 N ATOM 261 CA ALA A 17 -4.066 -5.747 0.690 1.00 0.00 C ATOM 262 C ALA A 17 -4.237 -5.748 -0.827 1.00 0.00 C ATOM 263 O ALA A 17 -5.292 -5.351 -1.310 1.00 0.00 O ATOM 264 CB ALA A 17 -3.127 -4.603 1.097 1.00 0.00 C ATOM 0 H ALA A 17 -2.628 -6.980 1.590 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.039 -5.593 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.531 -3.656 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.040 -4.573 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.143 -4.767 0.658 1.00 0.00 H new ATOM 270 N LYS A 18 -3.232 -6.188 -1.591 1.00 0.00 N ATOM 271 CA LYS A 18 -3.323 -6.200 -3.049 1.00 0.00 C ATOM 272 C LYS A 18 -4.509 -7.040 -3.504 1.00 0.00 C ATOM 273 O LYS A 18 -5.242 -6.624 -4.396 1.00 0.00 O ATOM 274 CB LYS A 18 -2.034 -6.717 -3.698 1.00 0.00 C ATOM 275 CG LYS A 18 -0.832 -5.770 -3.539 1.00 0.00 C ATOM 276 CD LYS A 18 0.109 -5.864 -4.748 1.00 0.00 C ATOM 277 CE LYS A 18 0.809 -7.227 -4.829 1.00 0.00 C ATOM 278 NZ LYS A 18 1.312 -7.469 -6.191 1.00 0.00 N ATOM 0 H LYS A 18 -2.349 -6.539 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.469 -5.169 -3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.782 -7.684 -3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.215 -6.883 -4.760 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.185 -4.745 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.286 -6.020 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.458 -5.693 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.858 -5.075 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.635 -7.261 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.113 -8.017 -4.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.041 -8.211 -6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.528 -7.775 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.723 -6.592 -6.570 1.00 0.00 H new ATOM 292 N ALA A 19 -4.733 -8.188 -2.868 1.00 0.00 N ATOM 293 CA ALA A 19 -5.845 -9.061 -3.178 1.00 0.00 C ATOM 294 C ALA A 19 -7.172 -8.383 -2.839 1.00 0.00 C ATOM 295 O ALA A 19 -8.136 -8.576 -3.571 1.00 0.00 O ATOM 296 CB ALA A 19 -5.675 -10.391 -2.439 1.00 0.00 C ATOM 0 H ALA A 19 -4.137 -8.535 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.858 -9.268 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.513 -11.047 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.745 -10.865 -2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.646 -10.209 -1.365 1.00 0.00 H new ATOM 302 N LEU A 20 -7.233 -7.555 -1.788 1.00 0.00 N ATOM 303 CA LEU A 20 -8.430 -6.769 -1.476 1.00 0.00 C ATOM 304 C LEU A 20 -8.695 -5.800 -2.621 1.00 0.00 C ATOM 305 O LEU A 20 -9.812 -5.729 -3.122 1.00 0.00 O ATOM 306 CB LEU A 20 -8.290 -6.048 -0.119 1.00 0.00 C ATOM 307 CG LEU A 20 -9.548 -5.254 0.307 1.00 0.00 C ATOM 308 CD1 LEU A 20 -9.640 -5.191 1.832 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.537 -3.792 -0.161 1.00 0.00 C ATOM 0 H LEU A 20 -6.461 -7.413 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.289 -7.433 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.061 -6.786 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.442 -5.365 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.384 -5.782 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.529 -4.630 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.703 -6.202 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.754 -4.696 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.449 -3.296 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.671 -3.282 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.484 -3.759 -1.249 1.00 0.00 H new ATOM 321 N LEU A 21 -7.674 -5.066 -3.064 1.00 0.00 N ATOM 322 CA LEU A 21 -7.827 -4.058 -4.104 1.00 0.00 C ATOM 323 C LEU A 21 -8.200 -4.693 -5.442 1.00 0.00 C ATOM 324 O LEU A 21 -9.111 -4.213 -6.119 1.00 0.00 O ATOM 325 CB LEU A 21 -6.534 -3.233 -4.230 1.00 0.00 C ATOM 326 CG LEU A 21 -6.119 -2.429 -2.983 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.881 -1.592 -3.310 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.224 -1.500 -2.480 1.00 0.00 C ATOM 0 H LEU A 21 -6.721 -5.156 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.643 -3.393 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.719 -3.909 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.649 -2.539 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.911 -3.150 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.585 -1.022 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.065 -2.250 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.110 -0.907 -4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.873 -0.960 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.485 -0.788 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.103 -2.089 -2.218 1.00 0.00 H new ATOM 340 N SER A 22 -7.541 -5.786 -5.821 1.00 0.00 N ATOM 341 CA SER A 22 -7.869 -6.528 -7.026 1.00 0.00 C ATOM 342 C SER A 22 -9.273 -7.126 -6.921 1.00 0.00 C ATOM 343 O SER A 22 -9.999 -7.127 -7.912 1.00 0.00 O ATOM 344 CB SER A 22 -6.803 -7.603 -7.272 1.00 0.00 C ATOM 345 OG SER A 22 -5.562 -6.998 -7.605 1.00 0.00 O ATOM 0 H SER A 22 -6.761 -6.180 -5.295 1.00 0.00 H new ATOM 0 HA SER A 22 -7.872 -5.854 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.687 -8.221 -6.381 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.122 -8.263 -8.079 1.00 0.00 H new ATOM 0 HG SER A 22 -4.889 -7.694 -7.758 1.00 0.00 H new ATOM 351 N SER A 23 -9.696 -7.562 -5.734 1.00 0.00 N ATOM 352 CA SER A 23 -11.037 -8.072 -5.495 1.00 0.00 C ATOM 353 C SER A 23 -12.064 -6.946 -5.616 1.00 0.00 C ATOM 354 O SER A 23 -13.171 -7.185 -6.101 1.00 0.00 O ATOM 355 CB SER A 23 -11.067 -8.745 -4.118 1.00 0.00 C ATOM 356 OG SER A 23 -12.349 -9.214 -3.747 1.00 0.00 O ATOM 0 H SER A 23 -9.105 -7.569 -4.903 1.00 0.00 H new ATOM 0 HA SER A 23 -11.302 -8.816 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.368 -9.582 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.717 -8.036 -3.368 1.00 0.00 H new ATOM 0 HG SER A 23 -12.301 -9.633 -2.862 1.00 0.00 H new ATOM 362 N LYS A 24 -11.722 -5.713 -5.224 1.00 0.00 N ATOM 363 CA LYS A 24 -12.591 -4.567 -5.428 1.00 0.00 C ATOM 364 C LYS A 24 -12.561 -4.103 -6.887 1.00 0.00 C ATOM 365 O LYS A 24 -13.446 -3.344 -7.285 1.00 0.00 O ATOM 366 CB LYS A 24 -12.183 -3.462 -4.442 1.00 0.00 C ATOM 367 CG LYS A 24 -12.593 -3.712 -2.980 1.00 0.00 C ATOM 368 CD LYS A 24 -14.115 -3.829 -2.818 1.00 0.00 C ATOM 369 CE LYS A 24 -14.556 -3.865 -1.355 1.00 0.00 C ATOM 370 NZ LYS A 24 -14.464 -2.541 -0.712 1.00 0.00 N ATOM 0 H LYS A 24 -10.841 -5.491 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.627 -4.841 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.101 -3.339 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.623 -2.521 -4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.120 -4.627 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.224 -2.898 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.594 -2.986 -3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.460 -4.734 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.583 -4.225 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.937 -4.576 -0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.131 -2.495 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.496 -2.392 -0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.700 -1.802 -1.404 1.00 0.00 H new ATOM 384 N GLY A 25 -11.601 -4.575 -7.685 1.00 0.00 N ATOM 385 CA GLY A 25 -11.522 -4.315 -9.112 1.00 0.00 C ATOM 386 C GLY A 25 -11.168 -2.858 -9.351 1.00 0.00 C ATOM 387 O GLY A 25 -11.781 -2.201 -10.190 1.00 0.00 O ATOM 0 H GLY A 25 -10.841 -5.163 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.771 -4.961 -9.567 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.475 -4.550 -9.587 1.00 0.00 H new ATOM 391 N VAL A 26 -10.227 -2.333 -8.571 1.00 0.00 N ATOM 392 CA VAL A 26 -9.845 -0.923 -8.607 1.00 0.00 C ATOM 393 C VAL A 26 -8.569 -0.736 -9.429 1.00 0.00 C ATOM 394 O VAL A 26 -7.801 -1.683 -9.627 1.00 0.00 O ATOM 395 CB VAL A 26 -9.660 -0.404 -7.168 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.907 -0.666 -6.313 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.400 -0.985 -6.505 1.00 0.00 C ATOM 0 H VAL A 26 -9.702 -2.880 -7.889 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.635 -0.346 -9.087 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.522 0.675 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.743 -0.288 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.765 -0.159 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.101 -1.738 -6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.308 -0.593 -5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.477 -2.072 -6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.521 -0.703 -7.084 1.00 0.00 H new ATOM 407 N SER A 27 -8.305 0.494 -9.862 1.00 0.00 N ATOM 408 CA SER A 27 -7.034 0.879 -10.439 1.00 0.00 C ATOM 409 C SER A 27 -6.147 1.300 -9.265 1.00 0.00 C ATOM 410 O SER A 27 -6.603 1.976 -8.341 1.00 0.00 O ATOM 411 CB SER A 27 -7.238 1.996 -11.471 1.00 0.00 C ATOM 412 OG SER A 27 -8.244 2.917 -11.074 1.00 0.00 O ATOM 0 H SER A 27 -8.981 1.256 -9.818 1.00 0.00 H new ATOM 0 HA SER A 27 -6.557 0.064 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.298 2.528 -11.618 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.509 1.556 -12.431 1.00 0.00 H new ATOM 0 HG SER A 27 -8.340 3.612 -11.758 1.00 0.00 H new ATOM 418 N PHE A 28 -4.891 0.880 -9.279 1.00 0.00 N ATOM 419 CA PHE A 28 -3.888 1.177 -8.261 1.00 0.00 C ATOM 420 C PHE A 28 -2.509 1.193 -8.937 1.00 0.00 C ATOM 421 O PHE A 28 -2.362 0.691 -10.056 1.00 0.00 O ATOM 422 CB PHE A 28 -3.982 0.141 -7.125 1.00 0.00 C ATOM 423 CG PHE A 28 -3.833 -1.326 -7.517 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.626 -1.839 -8.034 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.922 -2.199 -7.347 1.00 0.00 C ATOM 426 CE1 PHE A 28 -2.540 -3.188 -8.421 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.817 -3.561 -7.671 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.628 -4.056 -8.232 1.00 0.00 C ATOM 0 H PHE A 28 -4.525 0.297 -10.032 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.057 2.154 -7.809 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.214 0.375 -6.388 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.946 0.264 -6.632 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.765 -1.194 -8.133 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.855 -1.815 -6.961 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.630 -3.560 -8.867 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.648 -4.226 -7.489 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.551 -5.095 -8.516 1.00 0.00 H new ATOM 438 N GLN A 29 -1.480 1.672 -8.246 1.00 0.00 N ATOM 439 CA GLN A 29 -0.084 1.629 -8.659 1.00 0.00 C ATOM 440 C GLN A 29 0.626 0.728 -7.655 1.00 0.00 C ATOM 441 O GLN A 29 0.287 0.729 -6.474 1.00 0.00 O ATOM 442 CB GLN A 29 0.490 3.060 -8.663 1.00 0.00 C ATOM 443 CG GLN A 29 2.015 3.207 -8.527 1.00 0.00 C ATOM 444 CD GLN A 29 2.743 2.775 -9.799 1.00 0.00 C ATOM 445 OE1 GLN A 29 2.511 1.690 -10.338 1.00 0.00 O ATOM 446 NE2 GLN A 29 3.612 3.619 -10.321 1.00 0.00 N ATOM 0 H GLN A 29 -1.604 2.122 -7.339 1.00 0.00 H new ATOM 0 HA GLN A 29 0.045 1.236 -9.667 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.186 3.543 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.023 3.613 -7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.261 4.245 -8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.364 2.607 -7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.793 4.513 -9.864 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.103 3.378 -11.182 1.00 0.00 H new ATOM 455 N GLU A 30 1.647 0.005 -8.100 1.00 0.00 N ATOM 456 CA GLU A 30 2.468 -0.857 -7.265 1.00 0.00 C ATOM 457 C GLU A 30 3.875 -0.280 -7.276 1.00 0.00 C ATOM 458 O GLU A 30 4.337 0.224 -8.305 1.00 0.00 O ATOM 459 CB GLU A 30 2.479 -2.297 -7.793 1.00 0.00 C ATOM 460 CG GLU A 30 1.125 -3.005 -7.660 1.00 0.00 C ATOM 461 CD GLU A 30 1.227 -4.479 -8.062 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.037 -5.220 -7.465 1.00 0.00 O ATOM 463 OE2 GLU A 30 0.482 -4.941 -8.961 1.00 0.00 O ATOM 0 H GLU A 30 1.933 0.004 -9.079 1.00 0.00 H new ATOM 0 HA GLU A 30 2.066 -0.894 -6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.775 -2.289 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.234 -2.868 -7.253 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.772 -2.930 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.387 -2.505 -8.287 1.00 0.00 H new ATOM 470 N LEU A 31 4.557 -0.351 -6.138 1.00 0.00 N ATOM 471 CA LEU A 31 5.895 0.179 -5.938 1.00 0.00 C ATOM 472 C LEU A 31 6.758 -0.980 -5.451 1.00 0.00 C ATOM 473 O LEU A 31 6.775 -1.279 -4.257 1.00 0.00 O ATOM 474 CB LEU A 31 5.850 1.388 -5.001 1.00 0.00 C ATOM 475 CG LEU A 31 5.345 2.620 -5.780 1.00 0.00 C ATOM 476 CD1 LEU A 31 4.159 3.265 -5.085 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.462 3.639 -5.960 1.00 0.00 C ATOM 0 H LEU A 31 4.177 -0.795 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 31 6.339 0.566 -6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.192 1.183 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.842 1.583 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 31 5.020 2.277 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.827 4.130 -5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.345 2.544 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.453 3.584 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.084 4.500 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.820 3.963 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.283 3.185 -6.514 1.00 0.00 H new ATOM 489 N PRO A 32 7.428 -1.679 -6.376 1.00 0.00 N ATOM 490 CA PRO A 32 8.093 -2.931 -6.088 1.00 0.00 C ATOM 491 C PRO A 32 9.353 -2.688 -5.266 1.00 0.00 C ATOM 492 O PRO A 32 10.047 -1.676 -5.433 1.00 0.00 O ATOM 493 CB PRO A 32 8.416 -3.534 -7.459 1.00 0.00 C ATOM 494 CG PRO A 32 8.626 -2.295 -8.329 1.00 0.00 C ATOM 495 CD PRO A 32 7.607 -1.314 -7.767 1.00 0.00 C ATOM 0 HA PRO A 32 7.475 -3.606 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.307 -4.161 -7.426 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.601 -4.156 -7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 32 9.643 -1.912 -8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.447 -2.506 -9.383 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.962 -0.287 -7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.665 -1.375 -8.311 1.00 0.00 H new ATOM 503 N ILE A 33 9.668 -3.651 -4.406 1.00 0.00 N ATOM 504 CA ILE A 33 10.875 -3.696 -3.597 1.00 0.00 C ATOM 505 C ILE A 33 11.663 -4.987 -3.908 1.00 0.00 C ATOM 506 O ILE A 33 12.786 -5.154 -3.426 1.00 0.00 O ATOM 507 CB ILE A 33 10.522 -3.423 -2.107 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.727 -2.096 -2.001 1.00 0.00 C ATOM 509 CG2 ILE A 33 11.757 -3.354 -1.184 1.00 0.00 C ATOM 510 CD1 ILE A 33 9.444 -1.617 -0.579 1.00 0.00 C ATOM 0 H ILE A 33 9.061 -4.455 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 33 11.570 -2.896 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 33 9.923 -4.268 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.280 -1.317 -2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.777 -2.218 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.436 -3.161 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.294 -4.302 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.415 -2.550 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.884 -0.683 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.860 -2.370 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.386 -1.456 -0.055 1.00 0.00 H new ATOM 522 N ASP A 34 11.154 -5.859 -4.783 1.00 0.00 N ATOM 523 CA ASP A 34 11.868 -7.012 -5.295 1.00 0.00 C ATOM 524 C ASP A 34 13.063 -6.526 -6.089 1.00 0.00 C ATOM 525 O ASP A 34 12.914 -5.761 -7.049 1.00 0.00 O ATOM 526 CB ASP A 34 11.007 -7.879 -6.220 1.00 0.00 C ATOM 527 CG ASP A 34 11.858 -9.045 -6.737 1.00 0.00 C ATOM 528 OD1 ASP A 34 12.632 -9.613 -5.930 1.00 0.00 O ATOM 529 OD2 ASP A 34 11.809 -9.355 -7.948 1.00 0.00 O ATOM 0 H ASP A 34 10.210 -5.773 -5.159 1.00 0.00 H new ATOM 0 HA ASP A 34 12.161 -7.620 -4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.137 -8.256 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.633 -7.285 -7.054 1.00 0.00 H new ATOM 534 N GLY A 35 14.256 -6.953 -5.696 1.00 0.00 N ATOM 535 CA GLY A 35 15.449 -6.611 -6.433 1.00 0.00 C ATOM 536 C GLY A 35 15.850 -5.153 -6.251 1.00 0.00 C ATOM 537 O GLY A 35 16.535 -4.602 -7.112 1.00 0.00 O ATOM 0 H GLY A 35 14.415 -7.534 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.268 -7.253 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.287 -6.810 -7.492 1.00 0.00 H new ATOM 541 N ASN A 36 15.396 -4.507 -5.176 1.00 0.00 N ATOM 542 CA ASN A 36 15.532 -3.076 -4.944 1.00 0.00 C ATOM 543 C ASN A 36 16.126 -2.819 -3.556 1.00 0.00 C ATOM 544 O ASN A 36 16.107 -3.694 -2.691 1.00 0.00 O ATOM 545 CB ASN A 36 14.153 -2.427 -5.158 1.00 0.00 C ATOM 546 CG ASN A 36 13.994 -1.073 -4.483 1.00 0.00 C ATOM 547 OD1 ASN A 36 14.684 -0.112 -4.814 1.00 0.00 O ATOM 548 ND2 ASN A 36 13.162 -0.976 -3.460 1.00 0.00 N ATOM 0 H ASN A 36 14.907 -4.986 -4.419 1.00 0.00 H new ATOM 0 HA ASN A 36 16.229 -2.621 -5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.980 -2.310 -6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.383 -3.101 -4.782 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.091 -0.100 -2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.591 -1.777 -3.189 1.00 0.00 H new ATOM 555 N ALA A 37 16.579 -1.590 -3.321 1.00 0.00 N ATOM 556 CA ALA A 37 17.372 -1.150 -2.188 1.00 0.00 C ATOM 557 C ALA A 37 17.299 0.372 -2.111 1.00 0.00 C ATOM 558 O ALA A 37 16.900 0.902 -1.078 1.00 0.00 O ATOM 559 CB ALA A 37 18.829 -1.571 -2.399 1.00 0.00 C ATOM 0 H ALA A 37 16.385 -0.825 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 37 16.993 -1.595 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 37 19.429 -1.243 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 37 18.885 -2.656 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.211 -1.114 -3.312 1.00 0.00 H new ATOM 565 N ALA A 38 17.542 1.075 -3.220 1.00 0.00 N ATOM 566 CA ALA A 38 17.396 2.524 -3.271 1.00 0.00 C ATOM 567 C ALA A 38 15.989 2.961 -2.831 1.00 0.00 C ATOM 568 O ALA A 38 15.835 3.761 -1.910 1.00 0.00 O ATOM 569 CB ALA A 38 17.736 3.008 -4.681 1.00 0.00 C ATOM 0 H ALA A 38 17.843 0.656 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 38 18.090 2.985 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.630 4.092 -4.729 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.763 2.733 -4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.058 2.545 -5.398 1.00 0.00 H new ATOM 575 N LYS A 39 14.937 2.367 -3.407 1.00 0.00 N ATOM 576 CA LYS A 39 13.561 2.703 -3.037 1.00 0.00 C ATOM 577 C LYS A 39 13.169 2.030 -1.713 1.00 0.00 C ATOM 578 O LYS A 39 12.092 2.282 -1.185 1.00 0.00 O ATOM 579 CB LYS A 39 12.616 2.389 -4.216 1.00 0.00 C ATOM 580 CG LYS A 39 11.207 2.986 -4.063 1.00 0.00 C ATOM 581 CD LYS A 39 10.361 2.831 -5.338 1.00 0.00 C ATOM 582 CE LYS A 39 9.977 1.361 -5.561 1.00 0.00 C ATOM 583 NZ LYS A 39 10.362 0.856 -6.893 1.00 0.00 N ATOM 0 H LYS A 39 15.014 1.652 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 39 13.472 3.773 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.062 2.767 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.532 1.308 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.698 2.499 -3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.289 4.043 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.460 3.439 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.920 3.200 -6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.452 0.748 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.900 1.250 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.396 -0.183 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.663 1.166 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.299 1.228 -7.148 1.00 0.00 H new ATOM 597 N ARG A 40 14.003 1.126 -1.182 1.00 0.00 N ATOM 598 CA ARG A 40 13.772 0.496 0.112 1.00 0.00 C ATOM 599 C ARG A 40 14.085 1.538 1.181 1.00 0.00 C ATOM 600 O ARG A 40 13.200 1.859 1.964 1.00 0.00 O ATOM 601 CB ARG A 40 14.602 -0.797 0.253 1.00 0.00 C ATOM 602 CG ARG A 40 14.072 -1.724 1.355 1.00 0.00 C ATOM 603 CD ARG A 40 14.892 -3.019 1.471 1.00 0.00 C ATOM 604 NE ARG A 40 16.198 -2.772 2.105 1.00 0.00 N ATOM 605 CZ ARG A 40 16.825 -3.540 3.004 1.00 0.00 C ATOM 606 NH1 ARG A 40 16.396 -4.761 3.297 1.00 0.00 N ATOM 607 NH2 ARG A 40 17.895 -3.067 3.622 1.00 0.00 N ATOM 0 H ARG A 40 14.857 0.814 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 40 12.735 0.177 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.600 -1.331 -0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.638 -0.537 0.470 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.090 -1.198 2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.031 -1.973 1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.336 -3.753 2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.042 -3.447 0.480 1.00 0.00 H new ATOM 0 HE ARG A 40 16.680 -1.917 1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.569 -5.136 2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.893 -5.325 3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.232 -2.128 3.411 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.383 -3.642 4.309 1.00 0.00 H new ATOM 621 N GLU A 41 15.297 2.101 1.197 1.00 0.00 N ATOM 622 CA GLU A 41 15.649 3.122 2.185 1.00 0.00 C ATOM 623 C GLU A 41 14.903 4.442 1.933 1.00 0.00 C ATOM 624 O GLU A 41 14.691 5.214 2.869 1.00 0.00 O ATOM 625 CB GLU A 41 17.174 3.312 2.273 1.00 0.00 C ATOM 626 CG GLU A 41 17.813 3.989 1.047 1.00 0.00 C ATOM 627 CD GLU A 41 18.568 5.281 1.379 1.00 0.00 C ATOM 628 OE1 GLU A 41 18.061 6.147 2.132 1.00 0.00 O ATOM 629 OE2 GLU A 41 19.688 5.475 0.850 1.00 0.00 O ATOM 0 H GLU A 41 16.044 1.869 0.543 1.00 0.00 H new ATOM 0 HA GLU A 41 15.318 2.767 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.401 3.906 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.640 2.337 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 41 18.501 3.288 0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.033 4.211 0.319 1.00 0.00 H new ATOM 636 N GLU A 42 14.435 4.707 0.705 1.00 0.00 N ATOM 637 CA GLU A 42 13.598 5.870 0.394 1.00 0.00 C ATOM 638 C GLU A 42 12.342 5.913 1.274 1.00 0.00 C ATOM 639 O GLU A 42 11.862 6.998 1.612 1.00 0.00 O ATOM 640 CB GLU A 42 13.237 5.869 -1.097 1.00 0.00 C ATOM 641 CG GLU A 42 12.431 7.104 -1.516 1.00 0.00 C ATOM 642 CD GLU A 42 12.588 7.380 -3.010 1.00 0.00 C ATOM 643 OE1 GLU A 42 13.530 8.121 -3.371 1.00 0.00 O ATOM 644 OE2 GLU A 42 11.780 6.880 -3.829 1.00 0.00 O ATOM 0 H GLU A 42 14.629 4.116 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 42 14.168 6.773 0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.152 5.821 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.663 4.971 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.378 6.953 -1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.764 7.971 -0.946 1.00 0.00 H new ATOM 651 N MET A 43 11.864 4.749 1.735 1.00 0.00 N ATOM 652 CA MET A 43 10.753 4.604 2.660 1.00 0.00 C ATOM 653 C MET A 43 10.909 5.443 3.931 1.00 0.00 C ATOM 654 O MET A 43 9.917 5.795 4.569 1.00 0.00 O ATOM 655 CB MET A 43 10.571 3.122 3.001 1.00 0.00 C ATOM 656 CG MET A 43 9.172 2.802 3.520 1.00 0.00 C ATOM 657 SD MET A 43 8.803 1.028 3.503 1.00 0.00 S ATOM 658 CE MET A 43 8.551 0.745 1.734 1.00 0.00 C ATOM 0 H MET A 43 12.263 3.852 1.457 1.00 0.00 H new ATOM 0 HA MET A 43 9.861 4.986 2.163 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.770 2.522 2.113 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.307 2.834 3.752 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.072 3.179 4.538 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.435 3.327 2.912 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.078 -0.226 1.585 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.910 1.527 1.328 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.513 0.763 1.222 1.00 0.00 H new ATOM 668 N ILE A 44 12.136 5.809 4.283 1.00 0.00 N ATOM 669 CA ILE A 44 12.438 6.600 5.464 1.00 0.00 C ATOM 670 C ILE A 44 11.973 8.044 5.237 1.00 0.00 C ATOM 671 O ILE A 44 11.289 8.588 6.102 1.00 0.00 O ATOM 672 CB ILE A 44 13.926 6.441 5.857 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.207 4.950 6.181 1.00 0.00 C ATOM 674 CG2 ILE A 44 14.271 7.324 7.072 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.682 4.610 6.393 1.00 0.00 C ATOM 0 H ILE A 44 12.964 5.558 3.743 1.00 0.00 H new ATOM 0 HA ILE A 44 11.885 6.239 6.331 1.00 0.00 H new ATOM 0 HB ILE A 44 14.551 6.761 5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.652 4.676 7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.820 4.336 5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.322 7.195 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 44 14.083 8.369 6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.652 7.033 7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.782 3.547 6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.244 4.847 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.073 5.193 7.227 1.00 0.00 H new ATOM 687 N LYS A 45 12.235 8.682 4.088 1.00 0.00 N ATOM 688 CA LYS A 45 11.606 9.967 3.798 1.00 0.00 C ATOM 689 C LYS A 45 10.141 9.810 3.407 1.00 0.00 C ATOM 690 O LYS A 45 9.333 10.667 3.763 1.00 0.00 O ATOM 691 CB LYS A 45 12.372 10.795 2.756 1.00 0.00 C ATOM 692 CG LYS A 45 13.549 11.559 3.393 1.00 0.00 C ATOM 693 CD LYS A 45 13.930 12.774 2.537 1.00 0.00 C ATOM 694 CE LYS A 45 15.079 13.606 3.110 1.00 0.00 C ATOM 695 NZ LYS A 45 16.390 13.040 2.750 1.00 0.00 N ATOM 0 H LYS A 45 12.863 8.336 3.363 1.00 0.00 H new ATOM 0 HA LYS A 45 11.646 10.529 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.746 10.137 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.692 11.503 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.277 11.885 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.408 10.895 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.206 12.430 1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.055 13.413 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.009 14.628 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.988 13.654 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.145 13.629 3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.466 12.073 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.486 13.017 1.715 1.00 0.00 H new ATOM 709 N ARG A 46 9.779 8.740 2.698 1.00 0.00 N ATOM 710 CA ARG A 46 8.420 8.544 2.192 1.00 0.00 C ATOM 711 C ARG A 46 7.427 8.334 3.330 1.00 0.00 C ATOM 712 O ARG A 46 6.327 8.879 3.274 1.00 0.00 O ATOM 713 CB ARG A 46 8.383 7.339 1.224 1.00 0.00 C ATOM 714 CG ARG A 46 8.163 7.711 -0.247 1.00 0.00 C ATOM 715 CD ARG A 46 6.703 8.085 -0.540 1.00 0.00 C ATOM 716 NE ARG A 46 6.476 8.217 -1.987 1.00 0.00 N ATOM 717 CZ ARG A 46 5.333 7.999 -2.648 1.00 0.00 C ATOM 718 NH1 ARG A 46 4.174 7.887 -2.009 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.363 7.898 -3.969 1.00 0.00 N ATOM 0 H ARG A 46 10.421 7.984 2.458 1.00 0.00 H new ATOM 0 HA ARG A 46 8.128 9.446 1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.321 6.791 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.588 6.662 1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.810 8.548 -0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.455 6.873 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.039 7.323 -0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.456 9.023 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 46 7.277 8.506 -2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.142 7.967 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.316 7.721 -2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.249 7.986 -4.467 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.500 7.732 -4.488 1.00 0.00 H new ATOM 733 N SER A 47 7.799 7.543 4.338 1.00 0.00 N ATOM 734 CA SER A 47 6.912 7.046 5.369 1.00 0.00 C ATOM 735 C SER A 47 7.521 7.119 6.781 1.00 0.00 C ATOM 736 O SER A 47 6.832 6.750 7.734 1.00 0.00 O ATOM 737 CB SER A 47 6.607 5.581 4.998 1.00 0.00 C ATOM 738 OG SER A 47 6.918 4.666 6.033 1.00 0.00 O ATOM 0 H SER A 47 8.761 7.225 4.455 1.00 0.00 H new ATOM 0 HA SER A 47 6.016 7.665 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.550 5.489 4.746 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.172 5.314 4.105 1.00 0.00 H new ATOM 0 HG SER A 47 7.766 4.218 5.830 1.00 0.00 H new ATOM 744 N GLY A 48 8.815 7.404 6.939 1.00 0.00 N ATOM 745 CA GLY A 48 9.505 7.255 8.217 1.00 0.00 C ATOM 746 C GLY A 48 9.898 5.810 8.549 1.00 0.00 C ATOM 747 O GLY A 48 10.431 5.590 9.634 1.00 0.00 O ATOM 0 H GLY A 48 9.411 7.744 6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.404 7.872 8.207 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.864 7.638 9.011 1.00 0.00 H new ATOM 751 N ARG A 49 9.633 4.808 7.695 1.00 0.00 N ATOM 752 CA ARG A 49 9.857 3.399 7.996 1.00 0.00 C ATOM 753 C ARG A 49 10.624 2.725 6.854 1.00 0.00 C ATOM 754 O ARG A 49 11.311 3.398 6.094 1.00 0.00 O ATOM 755 CB ARG A 49 8.509 2.748 8.340 1.00 0.00 C ATOM 756 CG ARG A 49 7.908 3.320 9.634 1.00 0.00 C ATOM 757 CD ARG A 49 6.782 2.447 10.194 1.00 0.00 C ATOM 758 NE ARG A 49 6.520 2.784 11.602 1.00 0.00 N ATOM 759 CZ ARG A 49 6.928 2.111 12.684 1.00 0.00 C ATOM 760 NH1 ARG A 49 7.438 0.887 12.593 1.00 0.00 N ATOM 761 NH2 ARG A 49 6.841 2.677 13.877 1.00 0.00 N ATOM 0 H ARG A 49 9.251 4.965 6.762 1.00 0.00 H new ATOM 0 HA ARG A 49 10.495 3.276 8.871 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.811 2.902 7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.643 1.672 8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.694 3.418 10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.525 4.322 9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.876 2.590 9.605 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.054 1.395 10.110 1.00 0.00 H new ATOM 0 HE ARG A 49 5.966 3.623 11.772 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.526 0.438 11.682 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.741 0.397 13.435 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.465 3.621 13.968 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.150 2.170 14.706 1.00 0.00 H new ATOM 775 N THR A 50 10.598 1.396 6.772 1.00 0.00 N ATOM 776 CA THR A 50 11.273 0.547 5.799 1.00 0.00 C ATOM 777 C THR A 50 10.525 -0.804 5.643 1.00 0.00 C ATOM 778 O THR A 50 11.016 -1.740 5.000 1.00 0.00 O ATOM 779 CB THR A 50 12.760 0.378 6.189 1.00 0.00 C ATOM 780 OG1 THR A 50 13.244 1.401 7.047 1.00 0.00 O ATOM 781 CG2 THR A 50 13.608 0.448 4.927 1.00 0.00 C ATOM 0 H THR A 50 10.060 0.843 7.439 1.00 0.00 H new ATOM 0 HA THR A 50 11.253 1.022 4.818 1.00 0.00 H new ATOM 0 HB THR A 50 12.829 -0.577 6.710 1.00 0.00 H new ATOM 0 HG1 THR A 50 14.187 1.234 7.256 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.660 0.330 5.188 1.00 0.00 H new ATOM 0 HG22 THR A 50 13.312 -0.349 4.245 1.00 0.00 H new ATOM 0 HG23 THR A 50 13.461 1.413 4.443 1.00 0.00 H new ATOM 789 N THR A 51 9.339 -0.930 6.246 1.00 0.00 N ATOM 790 CA THR A 51 8.500 -2.111 6.366 1.00 0.00 C ATOM 791 C THR A 51 7.235 -1.957 5.505 1.00 0.00 C ATOM 792 O THR A 51 6.811 -0.844 5.194 1.00 0.00 O ATOM 793 CB THR A 51 8.252 -2.329 7.874 1.00 0.00 C ATOM 794 OG1 THR A 51 8.343 -1.114 8.618 1.00 0.00 O ATOM 795 CG2 THR A 51 9.368 -3.217 8.420 1.00 0.00 C ATOM 0 H THR A 51 8.907 -0.127 6.704 1.00 0.00 H new ATOM 0 HA THR A 51 8.974 -3.012 5.976 1.00 0.00 H new ATOM 0 HB THR A 51 7.255 -2.758 7.976 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.178 -1.298 9.566 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.212 -3.384 9.486 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.360 -4.174 7.898 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.330 -2.728 8.267 1.00 0.00 H new ATOM 803 N VAL A 52 6.607 -3.083 5.156 1.00 0.00 N ATOM 804 CA VAL A 52 5.549 -3.180 4.144 1.00 0.00 C ATOM 805 C VAL A 52 4.269 -3.915 4.599 1.00 0.00 C ATOM 806 O VAL A 52 4.306 -4.602 5.625 1.00 0.00 O ATOM 807 CB VAL A 52 6.182 -3.923 2.948 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.963 -2.956 2.051 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.024 -5.138 3.379 1.00 0.00 C ATOM 0 H VAL A 52 6.828 -3.982 5.584 1.00 0.00 H new ATOM 0 HA VAL A 52 5.207 -2.172 3.907 1.00 0.00 H new ATOM 0 HB VAL A 52 5.364 -4.332 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.399 -3.505 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.289 -2.189 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.758 -2.485 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.444 -5.621 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.832 -4.808 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.392 -5.847 3.915 1.00 0.00 H new ATOM 819 N PRO A 53 3.142 -3.828 3.857 1.00 0.00 N ATOM 820 CA PRO A 53 2.938 -2.965 2.694 1.00 0.00 C ATOM 821 C PRO A 53 2.854 -1.515 3.131 1.00 0.00 C ATOM 822 O PRO A 53 2.729 -1.238 4.323 1.00 0.00 O ATOM 823 CB PRO A 53 1.618 -3.398 2.057 1.00 0.00 C ATOM 824 CG PRO A 53 0.835 -3.967 3.235 1.00 0.00 C ATOM 825 CD PRO A 53 1.912 -4.549 4.155 1.00 0.00 C ATOM 0 HA PRO A 53 3.764 -3.052 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.098 -2.558 1.596 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.772 -4.144 1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.256 -3.193 3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.130 -4.733 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.635 -4.428 5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.036 -5.618 3.980 1.00 0.00 H new ATOM 833 N GLN A 54 2.896 -0.591 2.177 1.00 0.00 N ATOM 834 CA GLN A 54 2.627 0.804 2.466 1.00 0.00 C ATOM 835 C GLN A 54 1.683 1.342 1.419 1.00 0.00 C ATOM 836 O GLN A 54 2.112 1.594 0.296 1.00 0.00 O ATOM 837 CB GLN A 54 3.896 1.647 2.523 1.00 0.00 C ATOM 838 CG GLN A 54 5.038 1.055 3.353 1.00 0.00 C ATOM 839 CD GLN A 54 5.786 2.186 4.026 1.00 0.00 C ATOM 840 OE1 GLN A 54 5.971 3.243 3.438 1.00 0.00 O ATOM 841 NE2 GLN A 54 6.125 2.026 5.290 1.00 0.00 N ATOM 0 H GLN A 54 3.114 -0.787 1.200 1.00 0.00 H new ATOM 0 HA GLN A 54 2.174 0.865 3.455 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.253 1.806 1.505 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.644 2.627 2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.644 0.365 4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.712 0.483 2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.958 1.133 5.754 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.554 2.795 5.804 1.00 0.00 H new ATOM 850 N ILE A 55 0.411 1.484 1.767 1.00 0.00 N ATOM 851 CA ILE A 55 -0.531 2.177 0.906 1.00 0.00 C ATOM 852 C ILE A 55 -0.322 3.668 1.122 1.00 0.00 C ATOM 853 O ILE A 55 -0.220 4.120 2.269 1.00 0.00 O ATOM 854 CB ILE A 55 -2.013 1.807 1.153 1.00 0.00 C ATOM 855 CG1 ILE A 55 -2.292 0.871 2.340 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.659 1.285 -0.140 1.00 0.00 C ATOM 857 CD1 ILE A 55 -1.856 -0.593 2.175 1.00 0.00 C ATOM 0 H ILE A 55 0.011 1.129 2.636 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.334 1.874 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.483 2.743 1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.794 1.278 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.363 0.887 2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.701 1.029 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.610 2.056 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.125 0.398 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.106 -1.151 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.372 -1.032 1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.780 -0.636 2.009 1.00 0.00 H new ATOM 869 N PHE A 56 -0.314 4.425 0.034 1.00 0.00 N ATOM 870 CA PHE A 56 -0.361 5.859 0.012 1.00 0.00 C ATOM 871 C PHE A 56 -1.605 6.187 -0.802 1.00 0.00 C ATOM 872 O PHE A 56 -1.589 6.137 -2.033 1.00 0.00 O ATOM 873 CB PHE A 56 0.926 6.419 -0.596 1.00 0.00 C ATOM 874 CG PHE A 56 2.113 6.439 0.337 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.826 5.253 0.598 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.535 7.650 0.911 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.914 5.265 1.487 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.628 7.656 1.789 1.00 0.00 C ATOM 879 CZ PHE A 56 4.279 6.459 2.131 1.00 0.00 C ATOM 0 H PHE A 56 -0.272 4.022 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.423 6.310 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.183 5.828 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.736 7.436 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.536 4.332 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.021 8.570 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.469 4.358 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.973 8.590 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.054 6.457 2.883 1.00 0.00 H new ATOM 889 N ILE A 57 -2.710 6.419 -0.099 1.00 0.00 N ATOM 890 CA ILE A 57 -3.984 6.786 -0.690 1.00 0.00 C ATOM 891 C ILE A 57 -3.942 8.309 -0.736 1.00 0.00 C ATOM 892 O ILE A 57 -3.906 8.952 0.314 1.00 0.00 O ATOM 893 CB ILE A 57 -5.156 6.232 0.155 1.00 0.00 C ATOM 894 CG1 ILE A 57 -5.109 4.700 0.363 1.00 0.00 C ATOM 895 CG2 ILE A 57 -6.513 6.624 -0.441 1.00 0.00 C ATOM 896 CD1 ILE A 57 -5.264 3.847 -0.892 1.00 0.00 C ATOM 0 H ILE A 57 -2.741 6.355 0.919 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.143 6.368 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.037 6.693 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.160 4.447 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.897 4.425 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.313 6.218 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.596 7.710 -0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.596 6.223 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.215 2.792 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.226 4.058 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.462 4.081 -1.592 1.00 0.00 H new ATOM 908 N ASP A 58 -3.875 8.882 -1.936 1.00 0.00 N ATOM 909 CA ASP A 58 -3.811 10.311 -2.171 1.00 0.00 C ATOM 910 C ASP A 58 -2.712 10.994 -1.378 1.00 0.00 C ATOM 911 O ASP A 58 -2.958 11.893 -0.574 1.00 0.00 O ATOM 912 CB ASP A 58 -5.200 10.964 -2.083 1.00 0.00 C ATOM 913 CG ASP A 58 -5.690 11.349 -3.467 1.00 0.00 C ATOM 914 OD1 ASP A 58 -5.808 10.459 -4.334 1.00 0.00 O ATOM 915 OD2 ASP A 58 -5.858 12.572 -3.687 1.00 0.00 O ATOM 0 H ASP A 58 -3.864 8.338 -2.799 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.500 10.466 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.905 10.274 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.154 11.848 -1.447 1.00 0.00 H new ATOM 920 N ALA A 59 -1.473 10.574 -1.639 1.00 0.00 N ATOM 921 CA ALA A 59 -0.249 11.152 -1.082 1.00 0.00 C ATOM 922 C ALA A 59 -0.174 11.055 0.445 1.00 0.00 C ATOM 923 O ALA A 59 0.614 11.764 1.076 1.00 0.00 O ATOM 924 CB ALA A 59 -0.122 12.612 -1.540 1.00 0.00 C ATOM 0 H ALA A 59 -1.288 9.793 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 59 0.589 10.566 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.789 13.045 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.080 12.650 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.985 13.179 -1.190 1.00 0.00 H new ATOM 930 N GLN A 60 -1.010 10.217 1.049 1.00 0.00 N ATOM 931 CA GLN A 60 -1.223 10.103 2.475 1.00 0.00 C ATOM 932 C GLN A 60 -0.907 8.650 2.817 1.00 0.00 C ATOM 933 O GLN A 60 -1.589 7.722 2.377 1.00 0.00 O ATOM 934 CB GLN A 60 -2.639 10.635 2.794 1.00 0.00 C ATOM 935 CG GLN A 60 -3.516 9.793 3.731 1.00 0.00 C ATOM 936 CD GLN A 60 -4.999 10.131 3.621 1.00 0.00 C ATOM 937 OE1 GLN A 60 -5.675 10.330 4.627 1.00 0.00 O ATOM 938 NE2 GLN A 60 -5.549 10.138 2.417 1.00 0.00 N ATOM 0 H GLN A 60 -1.587 9.564 0.519 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.579 10.710 3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.535 11.628 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.173 10.757 1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.372 8.737 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.189 9.945 4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.973 9.971 1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.549 10.311 2.314 1.00 0.00 H new ATOM 947 N HIS A 61 0.205 8.449 3.518 1.00 0.00 N ATOM 948 CA HIS A 61 0.616 7.148 4.025 1.00 0.00 C ATOM 949 C HIS A 61 -0.456 6.626 4.970 1.00 0.00 C ATOM 950 O HIS A 61 -0.663 7.185 6.046 1.00 0.00 O ATOM 951 CB HIS A 61 1.950 7.251 4.767 1.00 0.00 C ATOM 952 CG HIS A 61 2.519 5.925 5.221 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.364 5.792 6.299 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.311 4.679 4.682 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.686 4.494 6.416 1.00 0.00 C ATOM 956 NE2 HIS A 61 3.045 3.790 5.458 1.00 0.00 N ATOM 0 H HIS A 61 0.855 9.199 3.752 1.00 0.00 H new ATOM 0 HA HIS A 61 0.743 6.464 3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.676 7.740 4.117 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.818 7.893 5.638 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.699 4.438 3.826 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.352 4.079 7.158 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.092 2.780 5.327 1.00 0.00 H new ATOM 965 N ILE A 62 -1.138 5.561 4.574 1.00 0.00 N ATOM 966 CA ILE A 62 -2.054 4.822 5.412 1.00 0.00 C ATOM 967 C ILE A 62 -1.228 3.957 6.358 1.00 0.00 C ATOM 968 O ILE A 62 -1.101 4.277 7.539 1.00 0.00 O ATOM 969 CB ILE A 62 -2.987 4.048 4.465 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.692 5.005 3.491 1.00 0.00 C ATOM 971 CG2 ILE A 62 -4.013 3.178 5.193 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.414 6.178 4.156 1.00 0.00 C ATOM 0 H ILE A 62 -1.063 5.181 3.631 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.685 5.441 6.050 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.347 3.366 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.954 5.399 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.414 4.437 2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.636 2.662 4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.495 2.444 5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.640 3.807 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.881 6.798 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.180 5.798 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.696 6.775 4.719 1.00 0.00 H new ATOM 984 N GLY A 63 -0.637 2.885 5.835 1.00 0.00 N ATOM 985 CA GLY A 63 0.042 1.887 6.628 1.00 0.00 C ATOM 986 C GLY A 63 -0.075 0.545 5.931 1.00 0.00 C ATOM 987 O GLY A 63 0.104 0.473 4.710 1.00 0.00 O ATOM 0 H GLY A 63 -0.621 2.691 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.091 2.156 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.397 1.834 7.624 1.00 0.00 H new ATOM 991 N GLY A 64 -0.325 -0.496 6.718 1.00 0.00 N ATOM 992 CA GLY A 64 -0.328 -1.886 6.312 1.00 0.00 C ATOM 993 C GLY A 64 -1.692 -2.314 5.776 1.00 0.00 C ATOM 994 O GLY A 64 -2.588 -1.494 5.571 1.00 0.00 O ATOM 0 H GLY A 64 -0.542 -0.380 7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.430 -2.043 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.057 -2.514 7.161 1.00 0.00 H new ATOM 998 N TYR A 65 -1.857 -3.618 5.547 1.00 0.00 N ATOM 999 CA TYR A 65 -3.149 -4.187 5.198 1.00 0.00 C ATOM 1000 C TYR A 65 -4.151 -3.983 6.317 1.00 0.00 C ATOM 1001 O TYR A 65 -5.301 -3.728 6.003 1.00 0.00 O ATOM 1002 CB TYR A 65 -3.045 -5.678 4.860 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.371 -6.417 4.758 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.323 -6.028 3.799 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.669 -7.480 5.632 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.522 -6.744 3.639 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.880 -8.179 5.505 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.800 -7.834 4.492 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.927 -8.582 4.333 1.00 0.00 O ATOM 0 H TYR A 65 -1.101 -4.301 5.599 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.496 -3.662 4.308 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.516 -5.783 3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.435 -6.164 5.621 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.130 -5.167 3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.964 -7.758 6.402 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.225 -6.462 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.109 -8.985 6.186 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.591 -8.320 5.004 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.751 -4.066 7.585 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.691 -3.872 8.696 1.00 0.00 C ATOM 1021 C ASP A 66 -5.299 -2.471 8.600 1.00 0.00 C ATOM 1022 O ASP A 66 -6.510 -2.294 8.708 1.00 0.00 O ATOM 1023 CB ASP A 66 -3.964 -4.039 10.036 1.00 0.00 C ATOM 1024 CG ASP A 66 -4.798 -3.534 11.218 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -4.839 -2.315 11.503 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -5.431 -4.389 11.878 1.00 0.00 O ATOM 0 H ASP A 66 -2.792 -4.264 7.871 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.484 -4.618 8.636 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.723 -5.091 10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.019 -3.497 10.004 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.442 -1.489 8.323 1.00 0.00 N ATOM 1032 CA ASP A 67 -4.786 -0.073 8.255 1.00 0.00 C ATOM 1033 C ASP A 67 -5.747 0.169 7.089 1.00 0.00 C ATOM 1034 O ASP A 67 -6.760 0.860 7.206 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.510 0.759 8.028 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.445 0.656 9.119 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -1.728 -0.371 9.190 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.223 1.643 9.846 1.00 0.00 O ATOM 0 H ASP A 67 -3.455 -1.666 8.134 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.259 0.223 9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.064 0.454 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.796 1.806 7.923 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.400 -0.405 5.942 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.141 -0.353 4.690 1.00 0.00 C ATOM 1045 C LEU A 68 -7.488 -1.040 4.802 1.00 0.00 C ATOM 1046 O LEU A 68 -8.499 -0.500 4.367 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.259 -1.047 3.638 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.732 -1.111 2.175 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.625 -2.320 1.882 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.383 0.184 1.686 1.00 0.00 C ATOM 0 H LEU A 68 -4.543 -0.951 5.858 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.354 0.680 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.289 -0.550 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.095 -2.071 3.973 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.815 -1.240 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.924 -2.306 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.075 -3.238 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.513 -2.278 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.692 0.066 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.255 0.408 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.667 1.002 1.761 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.508 -2.242 5.353 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.697 -3.040 5.502 1.00 0.00 C ATOM 1064 C TYR A 69 -9.624 -2.351 6.501 1.00 0.00 C ATOM 1065 O TYR A 69 -10.830 -2.382 6.293 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.271 -4.439 5.954 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.330 -5.516 6.034 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.337 -5.596 5.054 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.165 -6.572 6.947 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.123 -6.751 4.932 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -9.983 -7.709 6.862 1.00 0.00 C ATOM 1072 CZ TYR A 69 -10.956 -7.812 5.844 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.700 -8.945 5.713 1.00 0.00 O ATOM 0 H TYR A 69 -6.670 -2.696 5.717 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.247 -3.141 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.493 -4.786 5.274 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.815 -4.346 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.506 -4.761 4.390 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.408 -6.508 7.715 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.854 -6.827 4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.868 -8.509 7.578 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.461 -9.577 6.422 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.097 -1.657 7.521 1.00 0.00 N ATOM 1084 CA ALA A 70 -9.903 -0.813 8.390 1.00 0.00 C ATOM 1085 C ALA A 70 -10.498 0.370 7.618 1.00 0.00 C ATOM 1086 O ALA A 70 -11.689 0.649 7.765 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.066 -0.335 9.578 1.00 0.00 C ATOM 0 H ALA A 70 -8.105 -1.670 7.759 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.737 -1.403 8.770 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.677 0.296 10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.712 -1.197 10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.212 0.237 9.215 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.706 1.071 6.794 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.194 2.157 5.948 1.00 0.00 C ATOM 1095 C LEU A 71 -11.327 1.658 5.041 1.00 0.00 C ATOM 1096 O LEU A 71 -12.367 2.307 4.895 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.998 2.738 5.175 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.347 3.838 4.158 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -10.006 5.059 4.802 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -8.075 4.284 3.426 1.00 0.00 C ATOM 0 H LEU A 71 -8.706 0.896 6.699 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.628 2.959 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.284 3.142 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.496 1.925 4.649 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.067 3.408 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.228 5.800 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.931 4.757 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.329 5.492 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.324 5.063 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.357 4.673 4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.639 3.433 2.903 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.143 0.479 4.448 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.122 -0.183 3.601 1.00 0.00 C ATOM 1114 C ASP A 72 -13.344 -0.633 4.393 1.00 0.00 C ATOM 1115 O ASP A 72 -14.469 -0.553 3.896 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.485 -1.380 2.878 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.429 -1.930 1.811 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -12.743 -1.187 0.860 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -12.892 -3.090 1.907 1.00 0.00 O ATOM 0 H ASP A 72 -10.280 -0.055 4.550 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.458 0.543 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.545 -1.075 2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.247 -2.162 3.599 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.160 -1.075 5.636 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.236 -1.478 6.542 1.00 0.00 C ATOM 1126 C ALA A 73 -15.068 -0.273 6.972 1.00 0.00 C ATOM 1127 O ALA A 73 -16.263 -0.415 7.228 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.676 -2.203 7.770 1.00 0.00 C ATOM 0 H ALA A 73 -12.233 -1.165 6.053 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.884 -2.168 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.496 -2.492 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.135 -3.094 7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.998 -1.539 8.306 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.483 0.927 6.971 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.218 2.171 7.154 1.00 0.00 C ATOM 1136 C ARG A 74 -16.020 2.525 5.909 1.00 0.00 C ATOM 1137 O ARG A 74 -16.973 3.298 6.001 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.211 3.300 7.467 1.00 0.00 C ATOM 1139 CG ARG A 74 -14.653 4.228 8.602 1.00 0.00 C ATOM 1140 CD ARG A 74 -14.397 3.673 10.006 1.00 0.00 C ATOM 1141 NE ARG A 74 -15.223 2.501 10.335 1.00 0.00 N ATOM 1142 CZ ARG A 74 -14.803 1.263 10.618 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -13.512 0.972 10.762 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -15.716 0.315 10.756 1.00 0.00 N ATOM 0 H ARG A 74 -13.480 1.059 6.842 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.920 2.049 7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -13.251 2.855 7.728 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.053 3.893 6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.133 5.180 8.500 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.718 4.433 8.494 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.345 3.402 10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.587 4.458 10.738 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.232 2.650 10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.809 1.704 10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.225 0.017 10.978 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.705 0.540 10.646 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.431 -0.640 10.972 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.645 1.965 4.761 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.140 2.369 3.458 1.00 0.00 C ATOM 1160 C GLY A 75 -15.429 3.635 2.992 1.00 0.00 C ATOM 1161 O GLY A 75 -15.792 4.184 1.955 1.00 0.00 O ATOM 0 H GLY A 75 -14.972 1.200 4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.981 1.568 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.215 2.544 3.508 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.406 4.087 3.727 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.710 5.335 3.460 1.00 0.00 C ATOM 1167 C GLY A 76 -12.652 5.169 2.375 1.00 0.00 C ATOM 1168 O GLY A 76 -12.101 6.169 1.919 1.00 0.00 O ATOM 0 H GLY A 76 -14.039 3.583 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.429 6.095 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.239 5.692 4.376 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.360 3.932 1.960 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.526 3.646 0.801 1.00 0.00 C ATOM 1174 C LEU A 77 -12.298 3.924 -0.490 1.00 0.00 C ATOM 1175 O LEU A 77 -11.732 4.446 -1.443 1.00 0.00 O ATOM 1176 CB LEU A 77 -11.078 2.177 0.850 1.00 0.00 C ATOM 1177 CG LEU A 77 -10.069 1.812 -0.252 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.762 2.613 -0.152 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.736 0.319 -0.171 1.00 0.00 C ATOM 0 H LEU A 77 -12.704 3.094 2.430 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.648 4.292 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.632 1.973 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.953 1.534 0.759 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.539 2.058 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.089 2.313 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.980 3.677 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.288 2.418 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.021 0.063 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.303 0.095 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.646 -0.265 -0.307 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.588 3.582 -0.515 1.00 0.00 N ATOM 1192 CA ASP A 78 -14.476 3.729 -1.671 1.00 0.00 C ATOM 1193 C ASP A 78 -14.396 5.096 -2.374 1.00 0.00 C ATOM 1194 O ASP A 78 -14.154 5.109 -3.582 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.924 3.357 -1.315 1.00 0.00 C ATOM 1196 CG ASP A 78 -16.644 2.716 -2.499 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -16.530 1.483 -2.687 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -17.371 3.440 -3.218 1.00 0.00 O ATOM 0 H ASP A 78 -14.059 3.182 0.296 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.105 3.016 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.927 2.668 -0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.463 4.250 -1.000 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.544 6.259 -1.704 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.484 7.565 -2.369 1.00 0.00 C ATOM 1205 C PRO A 79 -13.086 7.921 -2.896 1.00 0.00 C ATOM 1206 O PRO A 79 -12.923 8.950 -3.557 1.00 0.00 O ATOM 1207 CB PRO A 79 -14.952 8.578 -1.322 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.544 7.925 -0.007 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.809 6.449 -0.285 1.00 0.00 C ATOM 0 HA PRO A 79 -15.115 7.561 -3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.473 9.548 -1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.028 8.744 -1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.498 8.113 0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.135 8.294 0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.163 5.815 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.837 6.183 -0.040 1.00 0.00 H new ATOM 1217 N LEU A 80 -12.073 7.098 -2.624 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.680 7.299 -3.004 1.00 0.00 C ATOM 1219 C LEU A 80 -10.224 6.230 -4.004 1.00 0.00 C ATOM 1220 O LEU A 80 -9.059 6.218 -4.389 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.819 7.290 -1.729 1.00 0.00 C ATOM 1222 CG LEU A 80 -10.097 8.482 -0.788 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.611 8.199 0.638 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.437 9.773 -1.291 1.00 0.00 C ATOM 0 H LEU A 80 -12.212 6.230 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.567 8.261 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.996 6.361 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.766 7.298 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.179 8.617 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.823 9.060 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.127 7.323 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.537 8.013 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.657 10.587 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.358 9.630 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.826 10.020 -2.279 1.00 0.00 H new ATOM 1236 N LEU A 81 -11.110 5.328 -4.443 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.786 4.299 -5.435 1.00 0.00 C ATOM 1238 C LEU A 81 -11.861 4.085 -6.492 1.00 0.00 C ATOM 1239 O LEU A 81 -11.748 3.161 -7.304 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.439 2.977 -4.730 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.935 2.868 -4.461 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.653 1.548 -3.760 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -8.095 2.927 -5.752 1.00 0.00 C ATOM 0 H LEU A 81 -12.076 5.292 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.918 4.668 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.985 2.910 -3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.762 2.138 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.653 3.719 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.584 1.461 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.199 1.513 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.974 0.723 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.037 2.845 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.377 2.103 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.275 3.874 -6.261 1.00 0.00 H new ATOM 1255 N LYS A 82 -12.885 4.926 -6.513 1.00 0.00 N ATOM 1256 CA LYS A 82 -14.007 4.823 -7.427 1.00 0.00 C ATOM 1257 C LYS A 82 -14.236 6.214 -7.960 1.00 0.00 C ATOM 1258 O LYS A 82 -14.158 6.367 -9.195 1.00 0.00 O ATOM 1259 CB LYS A 82 -15.223 4.266 -6.678 1.00 0.00 C ATOM 1260 CG LYS A 82 -15.782 3.004 -7.329 1.00 0.00 C ATOM 1261 CD LYS A 82 -16.841 2.422 -6.391 1.00 0.00 C ATOM 1262 CE LYS A 82 -17.506 1.215 -7.039 1.00 0.00 C ATOM 1263 NZ LYS A 82 -18.625 0.714 -6.221 1.00 0.00 N ATOM 1264 OXT LYS A 82 -14.380 7.153 -7.148 1.00 0.00 O ATOM 0 H LYS A 82 -12.958 5.720 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 82 -13.821 4.140 -8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -14.942 4.046 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.002 5.027 -6.640 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.219 3.237 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.986 2.280 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.381 2.131 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.590 3.180 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.871 1.487 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.770 0.422 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -19.057 -0.108 -6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.271 0.432 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -19.338 1.464 -6.111 1.00 0.00 H new TER 1278 LYS A 82