USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 180:sc= -0.508 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= -0.0263 USER MOD Set 2.1: A 3 THR OG1 : rot 109:sc= 0.102 USER MOD Set 2.2: A 77 THR OG1 : rot 153:sc= 0.0625 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc=-0.000568 (180deg=-0.0971) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.17 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -147:sc= -0.0154 (180deg=-0.159) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=0.000945 X(o=0.00095,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 36 THR OG1 : rot -23:sc= -0.157 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.0139 K(o=0.014,f=-0.98) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.22 USER MOD Single : A 60 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-5.1!) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= -0.147 (180deg=-0.246) USER MOD Single : A 69 TYR OH : rot -131:sc= 0.8 USER MOD Single : A 70 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.64 X(o=-2.6,f=-2.5!) USER MOD Single : A 76 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.4!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.584 -4.511 14.224 1.00 0.00 N ATOM 2 CA MET A 1 0.188 -5.939 14.109 1.00 0.00 C ATOM 3 C MET A 1 1.027 -6.660 13.057 1.00 0.00 C ATOM 4 O MET A 1 1.403 -7.818 13.236 1.00 0.00 O ATOM 5 CB MET A 1 -1.295 -6.003 13.737 1.00 0.00 C ATOM 6 CG MET A 1 -2.210 -6.246 14.927 1.00 0.00 C ATOM 7 SD MET A 1 -2.690 -4.718 15.758 1.00 0.00 S ATOM 8 CE MET A 1 -2.962 -5.311 17.425 1.00 0.00 C ATOM 0 H1 MET A 1 0.109 -4.084 15.045 1.00 0.00 H new ATOM 0 H2 MET A 1 1.615 -4.445 14.347 1.00 0.00 H new ATOM 0 H3 MET A 1 0.306 -4.003 13.360 1.00 0.00 H new ATOM 0 HA MET A 1 0.359 -6.438 15.063 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.581 -5.068 13.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.444 -6.798 13.006 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.105 -6.769 14.591 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.707 -6.900 15.639 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.266 -4.480 18.062 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.746 -6.068 17.418 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.040 -5.746 17.811 1.00 0.00 H new ATOM 20 N LEU A 2 1.315 -5.967 11.961 1.00 0.00 N ATOM 21 CA LEU A 2 2.109 -6.540 10.879 1.00 0.00 C ATOM 22 C LEU A 2 3.339 -5.685 10.595 1.00 0.00 C ATOM 23 O LEU A 2 3.312 -4.465 10.760 1.00 0.00 O ATOM 24 CB LEU A 2 1.264 -6.676 9.610 1.00 0.00 C ATOM 25 CG LEU A 2 0.252 -5.552 9.380 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.961 -4.271 8.968 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.767 -5.962 8.328 1.00 0.00 C ATOM 0 H LEU A 2 1.011 -5.007 11.798 1.00 0.00 H new ATOM 0 HA LEU A 2 2.440 -7.530 11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.933 -6.723 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.728 -7.624 9.649 1.00 0.00 H new ATOM 0 HG LEU A 2 -0.275 -5.365 10.316 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.225 -3.483 8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.652 -3.969 9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.515 -4.442 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.480 -5.151 8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.255 -6.176 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.297 -6.853 8.663 1.00 0.00 H new ATOM 39 N THR A 3 4.418 -6.334 10.168 1.00 0.00 N ATOM 40 CA THR A 3 5.659 -5.633 9.859 1.00 0.00 C ATOM 41 C THR A 3 5.550 -4.887 8.535 1.00 0.00 C ATOM 42 O THR A 3 4.470 -4.788 7.954 1.00 0.00 O ATOM 43 CB THR A 3 6.826 -6.620 9.805 1.00 0.00 C ATOM 44 OG1 THR A 3 6.507 -7.814 10.495 1.00 0.00 O ATOM 45 CG2 THR A 3 8.103 -6.070 10.403 1.00 0.00 C ATOM 0 H THR A 3 4.458 -7.344 10.028 1.00 0.00 H new ATOM 0 HA THR A 3 5.841 -4.906 10.650 1.00 0.00 H new ATOM 0 HB THR A 3 6.993 -6.811 8.745 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.376 -8.540 9.850 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.890 -6.820 10.333 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.404 -5.176 9.858 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.935 -5.817 11.450 1.00 0.00 H new ATOM 53 N ILE A 4 6.676 -4.363 8.062 1.00 0.00 N ATOM 54 CA ILE A 4 6.709 -3.628 6.807 1.00 0.00 C ATOM 55 C ILE A 4 7.929 -4.018 5.975 1.00 0.00 C ATOM 56 O ILE A 4 9.039 -4.128 6.496 1.00 0.00 O ATOM 57 CB ILE A 4 6.732 -2.108 7.054 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.576 -1.699 7.969 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.662 -1.359 5.733 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.950 -1.655 9.434 1.00 0.00 C ATOM 0 H ILE A 4 7.579 -4.435 8.532 1.00 0.00 H new ATOM 0 HA ILE A 4 5.803 -3.887 6.259 1.00 0.00 H new ATOM 0 HB ILE A 4 7.668 -1.848 7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.213 -0.717 7.666 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.751 -2.399 7.834 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.679 -0.286 5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.517 -1.632 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.740 -1.621 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.082 -1.358 10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.285 -2.642 9.754 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.753 -0.934 9.583 1.00 0.00 H new ATOM 72 N GLU A 5 7.714 -4.222 4.679 1.00 0.00 N ATOM 73 CA GLU A 5 8.795 -4.596 3.776 1.00 0.00 C ATOM 74 C GLU A 5 8.751 -3.759 2.501 1.00 0.00 C ATOM 75 O GLU A 5 7.737 -3.139 2.187 1.00 0.00 O ATOM 76 CB GLU A 5 8.704 -6.085 3.428 1.00 0.00 C ATOM 77 CG GLU A 5 9.617 -6.961 4.269 1.00 0.00 C ATOM 78 CD GLU A 5 11.078 -6.816 3.891 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.560 -5.666 3.818 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.739 -7.851 3.666 1.00 0.00 O ATOM 0 H GLU A 5 6.802 -4.134 4.232 1.00 0.00 H new ATOM 0 HA GLU A 5 9.742 -4.406 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.674 -6.418 3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.953 -6.220 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.491 -6.705 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.319 -8.003 4.156 1.00 0.00 H new ATOM 87 N THR A 6 9.862 -3.746 1.769 1.00 0.00 N ATOM 88 CA THR A 6 9.952 -2.985 0.529 1.00 0.00 C ATOM 89 C THR A 6 10.673 -3.784 -0.551 1.00 0.00 C ATOM 90 O THR A 6 11.565 -4.580 -0.256 1.00 0.00 O ATOM 91 CB THR A 6 10.678 -1.661 0.770 1.00 0.00 C ATOM 92 OG1 THR A 6 12.041 -1.885 1.079 1.00 0.00 O ATOM 93 CG2 THR A 6 10.081 -0.846 1.898 1.00 0.00 C ATOM 0 H THR A 6 10.712 -4.254 2.014 1.00 0.00 H new ATOM 0 HA THR A 6 8.938 -2.779 0.186 1.00 0.00 H new ATOM 0 HB THR A 6 10.570 -1.101 -0.159 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.488 -1.026 1.228 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.644 0.080 2.015 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.042 -0.612 1.668 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.127 -1.418 2.824 1.00 0.00 H new ATOM 101 N SER A 7 10.280 -3.569 -1.803 1.00 0.00 N ATOM 102 CA SER A 7 10.887 -4.272 -2.927 1.00 0.00 C ATOM 103 C SER A 7 11.819 -3.351 -3.709 1.00 0.00 C ATOM 104 O SER A 7 11.867 -2.147 -3.465 1.00 0.00 O ATOM 105 CB SER A 7 9.805 -4.828 -3.853 1.00 0.00 C ATOM 106 OG SER A 7 10.140 -6.127 -4.310 1.00 0.00 O ATOM 0 H SER A 7 9.544 -2.913 -2.064 1.00 0.00 H new ATOM 0 HA SER A 7 11.475 -5.099 -2.529 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.852 -4.860 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.675 -4.162 -4.706 1.00 0.00 H new ATOM 0 HG SER A 7 9.431 -6.460 -4.899 1.00 0.00 H new ATOM 112 N LYS A 8 12.555 -3.929 -4.653 1.00 0.00 N ATOM 113 CA LYS A 8 13.487 -3.162 -5.474 1.00 0.00 C ATOM 114 C LYS A 8 12.743 -2.169 -6.362 1.00 0.00 C ATOM 115 O LYS A 8 13.148 -1.015 -6.493 1.00 0.00 O ATOM 116 CB LYS A 8 14.335 -4.101 -6.335 1.00 0.00 C ATOM 117 CG LYS A 8 13.520 -5.108 -7.131 1.00 0.00 C ATOM 118 CD LYS A 8 14.121 -6.502 -7.052 1.00 0.00 C ATOM 119 CE LYS A 8 13.440 -7.347 -5.986 1.00 0.00 C ATOM 120 NZ LYS A 8 13.032 -8.680 -6.510 1.00 0.00 N ATOM 0 H LYS A 8 12.525 -4.925 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 8 14.143 -2.602 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.933 -3.505 -7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.032 -4.639 -5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.498 -5.130 -6.753 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.468 -4.792 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.029 -6.994 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.186 -6.428 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.116 -7.480 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.562 -6.820 -5.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.572 -9.225 -5.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.367 -8.554 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.872 -9.194 -6.844 1.00 0.00 H new ATOM 134 N LYS A 9 11.655 -2.628 -6.973 1.00 0.00 N ATOM 135 CA LYS A 9 10.855 -1.779 -7.850 1.00 0.00 C ATOM 136 C LYS A 9 10.212 -0.641 -7.066 1.00 0.00 C ATOM 137 O LYS A 9 10.188 0.503 -7.519 1.00 0.00 O ATOM 138 CB LYS A 9 9.777 -2.607 -8.550 1.00 0.00 C ATOM 139 CG LYS A 9 10.335 -3.734 -9.403 1.00 0.00 C ATOM 140 CD LYS A 9 9.553 -3.895 -10.698 1.00 0.00 C ATOM 141 CE LYS A 9 10.358 -4.645 -11.746 1.00 0.00 C ATOM 142 NZ LYS A 9 10.582 -6.066 -11.360 1.00 0.00 N ATOM 0 H LYS A 9 11.307 -3.582 -6.877 1.00 0.00 H new ATOM 0 HA LYS A 9 11.517 -1.348 -8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.109 -3.028 -7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.176 -1.950 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.382 -3.534 -9.632 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.304 -4.667 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.625 -4.430 -10.499 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.279 -2.913 -11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.836 -4.606 -12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.319 -4.151 -11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.135 -6.544 -12.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.103 -6.103 -10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.665 -6.544 -11.249 1.00 0.00 H new ATOM 156 N PHE A 10 9.691 -0.962 -5.886 1.00 0.00 N ATOM 157 CA PHE A 10 9.048 0.034 -5.037 1.00 0.00 C ATOM 158 C PHE A 10 10.022 1.155 -4.681 1.00 0.00 C ATOM 159 O PHE A 10 9.641 2.323 -4.607 1.00 0.00 O ATOM 160 CB PHE A 10 8.510 -0.622 -3.763 1.00 0.00 C ATOM 161 CG PHE A 10 7.930 0.352 -2.778 1.00 0.00 C ATOM 162 CD1 PHE A 10 7.115 1.389 -3.205 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.201 0.234 -1.424 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.582 2.287 -2.302 1.00 0.00 C ATOM 165 CE2 PHE A 10 7.671 1.129 -0.516 1.00 0.00 C ATOM 166 CZ PHE A 10 6.860 2.157 -0.956 1.00 0.00 C ATOM 0 H PHE A 10 9.702 -1.904 -5.496 1.00 0.00 H new ATOM 0 HA PHE A 10 8.215 0.467 -5.591 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.744 -1.349 -4.035 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.317 -1.174 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.894 1.496 -4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.835 -0.568 -1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.948 3.090 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.890 1.026 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.444 2.858 -0.248 1.00 0.00 H new ATOM 176 N ASP A 11 11.281 0.790 -4.460 1.00 0.00 N ATOM 177 CA ASP A 11 12.309 1.764 -4.114 1.00 0.00 C ATOM 178 C ASP A 11 12.439 2.826 -5.203 1.00 0.00 C ATOM 179 O ASP A 11 12.782 3.976 -4.926 1.00 0.00 O ATOM 180 CB ASP A 11 13.654 1.065 -3.903 1.00 0.00 C ATOM 181 CG ASP A 11 13.947 0.808 -2.438 1.00 0.00 C ATOM 182 OD1 ASP A 11 12.982 0.655 -1.657 1.00 0.00 O ATOM 183 OD2 ASP A 11 15.139 0.760 -2.069 1.00 0.00 O ATOM 0 H ASP A 11 11.613 -0.173 -4.514 1.00 0.00 H new ATOM 0 HA ASP A 11 12.014 2.254 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.657 0.118 -4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 11 14.449 1.677 -4.328 1.00 0.00 H new ATOM 188 N LYS A 12 12.162 2.431 -6.441 1.00 0.00 N ATOM 189 CA LYS A 12 12.245 3.345 -7.574 1.00 0.00 C ATOM 190 C LYS A 12 10.978 4.189 -7.690 1.00 0.00 C ATOM 191 O LYS A 12 10.995 5.277 -8.263 1.00 0.00 O ATOM 192 CB LYS A 12 12.472 2.565 -8.870 1.00 0.00 C ATOM 193 CG LYS A 12 13.895 2.050 -9.027 1.00 0.00 C ATOM 194 CD LYS A 12 13.920 0.568 -9.364 1.00 0.00 C ATOM 195 CE LYS A 12 15.248 0.160 -9.977 1.00 0.00 C ATOM 196 NZ LYS A 12 16.369 0.280 -9.006 1.00 0.00 N ATOM 0 H LYS A 12 11.878 1.482 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 12 13.090 4.013 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.783 1.721 -8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.230 3.206 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.401 2.611 -9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.449 2.223 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.741 -0.015 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.112 0.338 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.183 -0.869 -10.331 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.453 0.784 -10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.257 -0.008 -9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.448 1.267 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.187 -0.335 -8.187 1.00 0.00 H new ATOM 210 N ASP A 13 9.878 3.678 -7.143 1.00 0.00 N ATOM 211 CA ASP A 13 8.602 4.385 -7.188 1.00 0.00 C ATOM 212 C ASP A 13 8.543 5.484 -6.129 1.00 0.00 C ATOM 213 O ASP A 13 7.784 6.444 -6.262 1.00 0.00 O ATOM 214 CB ASP A 13 7.447 3.403 -6.985 1.00 0.00 C ATOM 215 CG ASP A 13 6.854 2.928 -8.297 1.00 0.00 C ATOM 216 OD1 ASP A 13 7.630 2.681 -9.244 1.00 0.00 O ATOM 217 OD2 ASP A 13 5.614 2.803 -8.379 1.00 0.00 O ATOM 0 H ASP A 13 9.845 2.778 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 13 8.510 4.851 -8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.801 2.543 -6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.669 3.880 -6.389 1.00 0.00 H new ATOM 222 N LEU A 14 9.340 5.335 -5.076 1.00 0.00 N ATOM 223 CA LEU A 14 9.369 6.315 -3.995 1.00 0.00 C ATOM 224 C LEU A 14 10.407 7.403 -4.262 1.00 0.00 C ATOM 225 O LEU A 14 10.172 8.578 -3.981 1.00 0.00 O ATOM 226 CB LEU A 14 9.666 5.624 -2.662 1.00 0.00 C ATOM 227 CG LEU A 14 8.710 5.981 -1.523 1.00 0.00 C ATOM 228 CD1 LEU A 14 7.290 5.561 -1.867 1.00 0.00 C ATOM 229 CD2 LEU A 14 9.163 5.328 -0.224 1.00 0.00 C ATOM 0 H LEU A 14 9.974 4.546 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 14 8.388 6.787 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.638 4.545 -2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.681 5.877 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 14 8.723 7.062 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.624 5.823 -1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.968 6.075 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.259 4.484 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.472 5.592 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.179 4.245 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.163 5.679 0.030 1.00 0.00 H new ATOM 241 N LYS A 15 11.555 7.004 -4.801 1.00 0.00 N ATOM 242 CA LYS A 15 12.628 7.948 -5.098 1.00 0.00 C ATOM 243 C LYS A 15 12.139 9.066 -6.016 1.00 0.00 C ATOM 244 O LYS A 15 12.631 10.192 -5.955 1.00 0.00 O ATOM 245 CB LYS A 15 13.813 7.222 -5.740 1.00 0.00 C ATOM 246 CG LYS A 15 13.531 6.708 -7.143 1.00 0.00 C ATOM 247 CD LYS A 15 14.786 6.146 -7.793 1.00 0.00 C ATOM 248 CE LYS A 15 14.956 6.657 -9.214 1.00 0.00 C ATOM 249 NZ LYS A 15 15.303 8.106 -9.245 1.00 0.00 N ATOM 0 H LYS A 15 11.766 6.035 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 15 12.952 8.395 -4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.666 7.900 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.099 6.383 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.764 5.935 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.134 7.518 -7.755 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.658 6.421 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.736 5.057 -7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.738 6.086 -9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.034 6.492 -9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.887 8.545 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.928 8.571 -8.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.337 8.215 -9.271 1.00 0.00 H new ATOM 263 N ILE A 16 11.169 8.746 -6.866 1.00 0.00 N ATOM 264 CA ILE A 16 10.614 9.722 -7.796 1.00 0.00 C ATOM 265 C ILE A 16 9.561 10.593 -7.116 1.00 0.00 C ATOM 266 O ILE A 16 9.362 11.749 -7.489 1.00 0.00 O ATOM 267 CB ILE A 16 9.987 9.035 -9.023 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.989 8.073 -9.663 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.520 10.074 -10.036 1.00 0.00 C ATOM 270 CD1 ILE A 16 12.198 8.764 -10.255 1.00 0.00 C ATOM 0 H ILE A 16 10.751 7.818 -6.930 1.00 0.00 H new ATOM 0 HA ILE A 16 11.441 10.351 -8.127 1.00 0.00 H new ATOM 0 HB ILE A 16 9.119 8.463 -8.695 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.322 7.356 -8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.486 7.505 -10.446 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.080 9.571 -10.897 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.775 10.723 -9.575 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.371 10.672 -10.362 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.865 8.020 -10.691 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.876 9.461 -11.029 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.725 9.309 -9.472 1.00 0.00 H new ATOM 282 N LEU A 17 8.889 10.031 -6.117 1.00 0.00 N ATOM 283 CA LEU A 17 7.857 10.757 -5.386 1.00 0.00 C ATOM 284 C LEU A 17 8.475 11.698 -4.357 1.00 0.00 C ATOM 285 O LEU A 17 7.977 12.799 -4.131 1.00 0.00 O ATOM 286 CB LEU A 17 6.908 9.777 -4.693 1.00 0.00 C ATOM 287 CG LEU A 17 5.838 9.162 -5.598 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.357 7.833 -5.032 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.672 10.125 -5.772 1.00 0.00 C ATOM 0 H LEU A 17 9.040 9.075 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 17 7.293 11.354 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.498 8.972 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.413 10.294 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 17 6.279 8.976 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.597 7.411 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.197 7.143 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.932 7.992 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.920 9.673 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.231 10.342 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.029 11.051 -6.224 1.00 0.00 H new ATOM 301 N VAL A 18 9.563 11.255 -3.736 1.00 0.00 N ATOM 302 CA VAL A 18 10.249 12.057 -2.731 1.00 0.00 C ATOM 303 C VAL A 18 10.846 13.316 -3.349 1.00 0.00 C ATOM 304 O VAL A 18 10.903 14.369 -2.710 1.00 0.00 O ATOM 305 CB VAL A 18 11.366 11.253 -2.035 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.422 10.819 -3.039 1.00 0.00 C ATOM 307 CG2 VAL A 18 11.991 12.066 -0.910 1.00 0.00 C ATOM 0 H VAL A 18 9.988 10.345 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 18 9.504 12.341 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 18 10.923 10.357 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.200 10.253 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.962 10.193 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.862 11.699 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.777 11.481 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.418 12.983 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.227 12.317 -0.175 1.00 0.00 H new ATOM 317 N LYS A 19 11.293 13.204 -4.596 1.00 0.00 N ATOM 318 CA LYS A 19 11.885 14.335 -5.301 1.00 0.00 C ATOM 319 C LYS A 19 10.815 15.333 -5.726 1.00 0.00 C ATOM 320 O LYS A 19 11.065 16.536 -5.799 1.00 0.00 O ATOM 321 CB LYS A 19 12.663 13.848 -6.527 1.00 0.00 C ATOM 322 CG LYS A 19 13.637 14.876 -7.075 1.00 0.00 C ATOM 323 CD LYS A 19 13.038 15.647 -8.240 1.00 0.00 C ATOM 324 CE LYS A 19 14.118 16.244 -9.128 1.00 0.00 C ATOM 325 NZ LYS A 19 13.590 17.341 -9.985 1.00 0.00 N ATOM 0 H LYS A 19 11.256 12.341 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 19 12.572 14.837 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 19 13.212 12.944 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.956 13.575 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.917 15.571 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.550 14.377 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.406 14.983 -8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.397 16.443 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.928 16.627 -8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.542 15.463 -9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.358 17.721 -10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.834 16.971 -10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.209 18.099 -9.383 1.00 0.00 H new ATOM 339 N ASN A 20 9.618 14.825 -6.009 1.00 0.00 N ATOM 340 CA ASN A 20 8.509 15.672 -6.427 1.00 0.00 C ATOM 341 C ASN A 20 7.739 16.196 -5.219 1.00 0.00 C ATOM 342 O ASN A 20 7.581 17.405 -5.048 1.00 0.00 O ATOM 343 CB ASN A 20 7.567 14.895 -7.350 1.00 0.00 C ATOM 344 CG ASN A 20 7.861 15.143 -8.817 1.00 0.00 C ATOM 345 OD1 ASN A 20 7.214 15.970 -9.460 1.00 0.00 O ATOM 346 ND2 ASN A 20 8.839 14.423 -9.353 1.00 0.00 N ATOM 0 H ASN A 20 9.393 13.831 -5.956 1.00 0.00 H new ATOM 0 HA ASN A 20 8.919 16.523 -6.970 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.654 13.829 -7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.537 15.179 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.081 14.544 -10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.348 13.749 -8.781 1.00 0.00 H new ATOM 353 N GLY A 21 7.263 15.279 -4.384 1.00 0.00 N ATOM 354 CA GLY A 21 6.516 15.668 -3.202 1.00 0.00 C ATOM 355 C GLY A 21 6.128 14.481 -2.343 1.00 0.00 C ATOM 356 O GLY A 21 4.985 14.028 -2.381 1.00 0.00 O ATOM 0 H GLY A 21 7.381 14.273 -4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.114 16.361 -2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.616 16.203 -3.505 1.00 0.00 H new ATOM 360 N PHE A 22 7.083 13.978 -1.567 1.00 0.00 N ATOM 361 CA PHE A 22 6.835 12.835 -0.695 1.00 0.00 C ATOM 362 C PHE A 22 7.855 12.787 0.440 1.00 0.00 C ATOM 363 O PHE A 22 8.871 13.481 0.404 1.00 0.00 O ATOM 364 CB PHE A 22 6.886 11.534 -1.498 1.00 0.00 C ATOM 365 CG PHE A 22 6.126 10.406 -0.863 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.768 10.526 -0.604 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.766 9.224 -0.524 1.00 0.00 C ATOM 368 CE1 PHE A 22 4.066 9.490 -0.020 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.068 8.185 0.061 1.00 0.00 C ATOM 370 CZ PHE A 22 4.716 8.318 0.313 1.00 0.00 C ATOM 0 H PHE A 22 8.034 14.343 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 22 5.841 12.947 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.484 11.716 -2.495 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.927 11.235 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.254 11.440 -0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.822 9.114 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.009 9.596 0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.579 7.270 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.169 7.507 0.770 1.00 0.00 H new ATOM 380 N ASP A 23 7.576 11.963 1.444 1.00 0.00 N ATOM 381 CA ASP A 23 8.470 11.824 2.589 1.00 0.00 C ATOM 382 C ASP A 23 8.745 10.355 2.890 1.00 0.00 C ATOM 383 O ASP A 23 8.115 9.465 2.320 1.00 0.00 O ATOM 384 CB ASP A 23 7.866 12.506 3.817 1.00 0.00 C ATOM 385 CG ASP A 23 8.907 13.243 4.638 1.00 0.00 C ATOM 386 OD1 ASP A 23 9.738 13.959 4.040 1.00 0.00 O ATOM 387 OD2 ASP A 23 8.891 13.105 5.879 1.00 0.00 O ATOM 0 H ASP A 23 6.739 11.382 1.489 1.00 0.00 H new ATOM 0 HA ASP A 23 9.416 12.307 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.095 13.208 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.377 11.758 4.441 1.00 0.00 H new ATOM 392 N LEU A 24 9.691 10.109 3.792 1.00 0.00 N ATOM 393 CA LEU A 24 10.050 8.747 4.170 1.00 0.00 C ATOM 394 C LEU A 24 9.324 8.326 5.445 1.00 0.00 C ATOM 395 O LEU A 24 8.676 7.281 5.487 1.00 0.00 O ATOM 396 CB LEU A 24 11.565 8.634 4.365 1.00 0.00 C ATOM 397 CG LEU A 24 12.275 7.694 3.388 1.00 0.00 C ATOM 398 CD1 LEU A 24 11.655 6.305 3.440 1.00 0.00 C ATOM 399 CD2 LEU A 24 12.219 8.254 1.975 1.00 0.00 C ATOM 0 H LEU A 24 10.222 10.835 4.274 1.00 0.00 H new ATOM 0 HA LEU A 24 9.744 8.078 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.003 9.628 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.761 8.292 5.381 1.00 0.00 H new ATOM 0 HG LEU A 24 13.321 7.614 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 24 12.172 5.649 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.748 5.903 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.601 6.367 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.729 7.573 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.179 8.364 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.709 9.227 1.950 1.00 0.00 H new ATOM 411 N LYS A 25 9.438 9.149 6.483 1.00 0.00 N ATOM 412 CA LYS A 25 8.793 8.863 7.759 1.00 0.00 C ATOM 413 C LYS A 25 7.280 8.760 7.595 1.00 0.00 C ATOM 414 O LYS A 25 6.611 8.045 8.342 1.00 0.00 O ATOM 415 CB LYS A 25 9.135 9.950 8.781 1.00 0.00 C ATOM 416 CG LYS A 25 9.384 9.411 10.181 1.00 0.00 C ATOM 417 CD LYS A 25 10.498 10.172 10.886 1.00 0.00 C ATOM 418 CE LYS A 25 11.690 9.275 11.180 1.00 0.00 C ATOM 419 NZ LYS A 25 11.608 8.671 12.537 1.00 0.00 N ATOM 0 H LYS A 25 9.971 10.019 6.465 1.00 0.00 H new ATOM 0 HA LYS A 25 9.166 7.904 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.021 10.488 8.445 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.319 10.672 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.467 9.482 10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.645 8.354 10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.817 11.009 10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.119 10.592 11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.742 8.483 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.610 9.854 11.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.439 8.067 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.584 9.426 13.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.743 8.098 12.610 1.00 0.00 H new ATOM 433 N LEU A 26 6.744 9.477 6.613 1.00 0.00 N ATOM 434 CA LEU A 26 5.309 9.465 6.350 1.00 0.00 C ATOM 435 C LEU A 26 4.822 8.050 6.054 1.00 0.00 C ATOM 436 O LEU A 26 3.690 7.693 6.379 1.00 0.00 O ATOM 437 CB LEU A 26 4.979 10.391 5.173 1.00 0.00 C ATOM 438 CG LEU A 26 3.488 10.560 4.866 1.00 0.00 C ATOM 439 CD1 LEU A 26 2.949 9.341 4.134 1.00 0.00 C ATOM 440 CD2 LEU A 26 2.700 10.809 6.144 1.00 0.00 C ATOM 0 H LEU A 26 7.282 10.074 5.985 1.00 0.00 H new ATOM 0 HA LEU A 26 4.796 9.825 7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.404 11.374 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.475 10.007 4.281 1.00 0.00 H new ATOM 0 HG LEU A 26 3.371 11.428 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.888 9.481 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.489 9.211 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.083 8.455 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.643 10.926 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.826 9.963 6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.065 11.716 6.626 1.00 0.00 H new ATOM 452 N LEU A 27 5.684 7.251 5.436 1.00 0.00 N ATOM 453 CA LEU A 27 5.344 5.874 5.095 1.00 0.00 C ATOM 454 C LEU A 27 5.424 4.970 6.319 1.00 0.00 C ATOM 455 O LEU A 27 4.637 4.036 6.468 1.00 0.00 O ATOM 456 CB LEU A 27 6.277 5.351 4.004 1.00 0.00 C ATOM 457 CG LEU A 27 5.938 3.956 3.477 1.00 0.00 C ATOM 458 CD1 LEU A 27 6.320 3.833 2.012 1.00 0.00 C ATOM 459 CD2 LEU A 27 6.640 2.891 4.305 1.00 0.00 C ATOM 0 H LEU A 27 6.625 7.533 5.160 1.00 0.00 H new ATOM 0 HA LEU A 27 4.319 5.864 4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.263 6.051 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.295 5.338 4.393 1.00 0.00 H new ATOM 0 HG LEU A 27 4.862 3.805 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.072 2.834 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.772 4.574 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.391 4.003 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.388 1.904 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.718 3.039 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.317 2.966 5.343 1.00 0.00 H new ATOM 471 N TYR A 28 6.383 5.254 7.195 1.00 0.00 N ATOM 472 CA TYR A 28 6.567 4.463 8.405 1.00 0.00 C ATOM 473 C TYR A 28 5.511 4.811 9.451 1.00 0.00 C ATOM 474 O TYR A 28 5.212 4.009 10.335 1.00 0.00 O ATOM 475 CB TYR A 28 7.967 4.686 8.980 1.00 0.00 C ATOM 476 CG TYR A 28 8.987 3.681 8.494 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.926 2.352 8.895 1.00 0.00 C ATOM 478 CD2 TYR A 28 10.011 4.061 7.635 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.855 1.431 8.454 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.945 3.144 7.189 1.00 0.00 C ATOM 481 CZ TYR A 28 10.863 1.831 7.602 1.00 0.00 C ATOM 482 OH TYR A 28 11.790 0.916 7.159 1.00 0.00 O ATOM 0 H TYR A 28 7.043 6.025 7.089 1.00 0.00 H new ATOM 0 HA TYR A 28 6.456 3.412 8.140 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.303 5.689 8.717 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.915 4.642 10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.139 2.034 9.563 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.078 5.089 7.311 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.793 0.402 8.775 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.735 3.455 6.521 1.00 0.00 H new ATOM 0 HH TYR A 28 12.431 1.361 6.565 1.00 0.00 H new ATOM 492 N LYS A 29 4.949 6.012 9.347 1.00 0.00 N ATOM 493 CA LYS A 29 3.928 6.464 10.282 1.00 0.00 C ATOM 494 C LYS A 29 2.535 6.060 9.808 1.00 0.00 C ATOM 495 O LYS A 29 1.673 5.705 10.611 1.00 0.00 O ATOM 496 CB LYS A 29 4.002 7.982 10.457 1.00 0.00 C ATOM 497 CG LYS A 29 4.823 8.419 11.658 1.00 0.00 C ATOM 498 CD LYS A 29 4.698 9.914 11.905 1.00 0.00 C ATOM 499 CE LYS A 29 5.971 10.486 12.507 1.00 0.00 C ATOM 500 NZ LYS A 29 6.316 11.810 11.919 1.00 0.00 N ATOM 0 H LYS A 29 5.185 6.690 8.622 1.00 0.00 H new ATOM 0 HA LYS A 29 4.115 5.986 11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.430 8.422 9.556 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.991 8.377 10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.493 7.874 12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.870 8.162 11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.478 10.422 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.860 10.105 12.575 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.849 10.588 13.585 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.794 9.791 12.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.190 12.167 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.458 11.708 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.542 12.481 12.097 1.00 0.00 H new ATOM 514 N VAL A 30 2.321 6.118 8.498 1.00 0.00 N ATOM 515 CA VAL A 30 1.033 5.761 7.917 1.00 0.00 C ATOM 516 C VAL A 30 0.729 4.274 8.101 1.00 0.00 C ATOM 517 O VAL A 30 -0.411 3.842 7.936 1.00 0.00 O ATOM 518 CB VAL A 30 0.975 6.108 6.416 1.00 0.00 C ATOM 519 CG1 VAL A 30 2.021 5.319 5.643 1.00 0.00 C ATOM 520 CG2 VAL A 30 -0.417 5.853 5.859 1.00 0.00 C ATOM 0 H VAL A 30 3.024 6.409 7.818 1.00 0.00 H new ATOM 0 HA VAL A 30 0.280 6.346 8.446 1.00 0.00 H new ATOM 0 HB VAL A 30 1.196 7.169 6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.964 5.578 4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.014 5.561 6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.836 4.252 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.436 6.104 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.673 4.801 5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.141 6.470 6.391 1.00 0.00 H new ATOM 530 N VAL A 31 1.755 3.494 8.444 1.00 0.00 N ATOM 531 CA VAL A 31 1.590 2.056 8.647 1.00 0.00 C ATOM 532 C VAL A 31 0.407 1.757 9.564 1.00 0.00 C ATOM 533 O VAL A 31 -0.338 0.803 9.339 1.00 0.00 O ATOM 534 CB VAL A 31 2.860 1.426 9.251 1.00 0.00 C ATOM 535 CG1 VAL A 31 4.010 1.484 8.258 1.00 0.00 C ATOM 536 CG2 VAL A 31 3.233 2.120 10.552 1.00 0.00 C ATOM 0 H VAL A 31 2.706 3.834 8.587 1.00 0.00 H new ATOM 0 HA VAL A 31 1.404 1.620 7.665 1.00 0.00 H new ATOM 0 HB VAL A 31 2.654 0.378 9.471 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.898 1.034 8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.739 0.936 7.355 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.218 2.523 8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.132 1.662 10.964 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.419 3.177 10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.415 2.020 11.265 1.00 0.00 H new ATOM 546 N GLY A 32 0.241 2.578 10.596 1.00 0.00 N ATOM 547 CA GLY A 32 -0.853 2.382 11.528 1.00 0.00 C ATOM 548 C GLY A 32 -2.208 2.447 10.853 1.00 0.00 C ATOM 549 O GLY A 32 -3.172 1.841 11.321 1.00 0.00 O ATOM 0 H GLY A 32 0.844 3.374 10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.740 1.415 12.017 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.802 3.142 12.308 1.00 0.00 H new ATOM 553 N ASN A 33 -2.283 3.184 9.750 1.00 0.00 N ATOM 554 CA ASN A 33 -3.532 3.326 9.009 1.00 0.00 C ATOM 555 C ASN A 33 -3.664 2.236 7.951 1.00 0.00 C ATOM 556 O ASN A 33 -4.768 1.800 7.628 1.00 0.00 O ATOM 557 CB ASN A 33 -3.605 4.705 8.352 1.00 0.00 C ATOM 558 CG ASN A 33 -4.324 5.721 9.219 1.00 0.00 C ATOM 559 OD1 ASN A 33 -5.409 6.189 8.877 1.00 0.00 O ATOM 560 ND2 ASN A 33 -3.719 6.067 10.349 1.00 0.00 N ATOM 0 H ASN A 33 -1.495 3.692 9.349 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.358 3.224 9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.595 5.059 8.143 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.118 4.621 7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.154 6.746 10.973 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.819 5.653 10.593 1.00 0.00 H new ATOM 567 N LEU A 34 -2.529 1.799 7.412 1.00 0.00 N ATOM 568 CA LEU A 34 -2.520 0.759 6.390 1.00 0.00 C ATOM 569 C LEU A 34 -3.091 -0.546 6.938 1.00 0.00 C ATOM 570 O LEU A 34 -3.923 -1.189 6.298 1.00 0.00 O ATOM 571 CB LEU A 34 -1.098 0.528 5.875 1.00 0.00 C ATOM 572 CG LEU A 34 -0.385 1.778 5.353 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.050 1.451 4.971 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.135 2.365 4.166 1.00 0.00 C ATOM 0 H LEU A 34 -1.605 2.149 7.666 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.147 1.093 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.502 0.098 6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.134 -0.212 5.075 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.368 2.523 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.542 2.351 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.583 1.078 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.054 0.689 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.613 3.253 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.185 1.627 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.145 2.637 4.472 1.00 0.00 H new ATOM 586 N ALA A 35 -2.636 -0.930 8.126 1.00 0.00 N ATOM 587 CA ALA A 35 -3.099 -2.157 8.762 1.00 0.00 C ATOM 588 C ALA A 35 -4.598 -2.101 9.038 1.00 0.00 C ATOM 589 O ALA A 35 -5.289 -3.119 8.978 1.00 0.00 O ATOM 590 CB ALA A 35 -2.332 -2.405 10.052 1.00 0.00 C ATOM 0 H ALA A 35 -1.947 -0.409 8.668 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.913 -2.984 8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.688 -3.325 10.516 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.269 -2.498 9.831 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.489 -1.570 10.735 1.00 0.00 H new ATOM 596 N THR A 36 -5.095 -0.906 9.342 1.00 0.00 N ATOM 597 CA THR A 36 -6.513 -0.719 9.628 1.00 0.00 C ATOM 598 C THR A 36 -7.320 -0.602 8.338 1.00 0.00 C ATOM 599 O THR A 36 -8.401 -1.176 8.216 1.00 0.00 O ATOM 600 CB THR A 36 -6.721 0.528 10.488 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.245 1.682 9.819 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.023 0.454 11.828 1.00 0.00 C ATOM 0 H THR A 36 -4.537 -0.054 9.397 1.00 0.00 H new ATOM 0 HA THR A 36 -6.865 -1.593 10.176 1.00 0.00 H new ATOM 0 HB THR A 36 -7.796 0.585 10.660 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.572 1.422 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.211 1.370 12.388 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.403 -0.399 12.390 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.950 0.337 11.674 1.00 0.00 H new ATOM 610 N GLU A 37 -6.783 0.143 7.378 1.00 0.00 N ATOM 611 CA GLU A 37 -7.451 0.337 6.095 1.00 0.00 C ATOM 612 C GLU A 37 -8.798 1.029 6.279 1.00 0.00 C ATOM 613 O GLU A 37 -9.803 0.622 5.695 1.00 0.00 O ATOM 614 CB GLU A 37 -7.647 -1.008 5.389 1.00 0.00 C ATOM 615 CG GLU A 37 -6.428 -1.913 5.452 1.00 0.00 C ATOM 616 CD GLU A 37 -6.740 -3.340 5.047 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.303 -4.084 5.877 1.00 0.00 O ATOM 618 OE2 GLU A 37 -6.423 -3.715 3.898 1.00 0.00 O ATOM 0 H GLU A 37 -5.887 0.623 7.463 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.818 0.975 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.496 -1.524 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.901 -0.827 4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.651 -1.516 4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.027 -1.906 6.466 1.00 0.00 H new ATOM 625 N GLN A 38 -8.811 2.078 7.095 1.00 0.00 N ATOM 626 CA GLN A 38 -10.039 2.825 7.355 1.00 0.00 C ATOM 627 C GLN A 38 -10.331 3.816 6.229 1.00 0.00 C ATOM 628 O GLN A 38 -11.432 3.830 5.680 1.00 0.00 O ATOM 629 CB GLN A 38 -9.953 3.567 8.694 1.00 0.00 C ATOM 630 CG GLN A 38 -9.015 2.918 9.702 1.00 0.00 C ATOM 631 CD GLN A 38 -9.325 3.322 11.130 1.00 0.00 C ATOM 632 OE1 GLN A 38 -10.452 3.167 11.601 1.00 0.00 O ATOM 633 NE2 GLN A 38 -8.323 3.843 11.829 1.00 0.00 N ATOM 0 H GLN A 38 -7.989 2.430 7.586 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.856 2.106 7.403 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.622 4.589 8.511 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.951 3.628 9.129 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.084 1.834 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.987 3.193 9.466 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.405 3.954 11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.472 4.133 12.796 1.00 0.00 H new ATOM 642 N PRO A 39 -9.352 4.669 5.869 1.00 0.00 N ATOM 643 CA PRO A 39 -9.534 5.659 4.807 1.00 0.00 C ATOM 644 C PRO A 39 -9.526 5.033 3.409 1.00 0.00 C ATOM 645 O PRO A 39 -10.583 4.716 2.862 1.00 0.00 O ATOM 646 CB PRO A 39 -8.351 6.611 4.996 1.00 0.00 C ATOM 647 CG PRO A 39 -7.298 5.807 5.680 1.00 0.00 C ATOM 648 CD PRO A 39 -8.005 4.735 6.470 1.00 0.00 C ATOM 0 HA PRO A 39 -10.502 6.156 4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.995 6.990 4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.635 7.476 5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -6.617 5.364 4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.697 6.437 6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.488 3.778 6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.054 4.988 7.529 1.00 0.00 H new ATOM 656 N LEU A 40 -8.339 4.852 2.834 1.00 0.00 N ATOM 657 CA LEU A 40 -8.215 4.265 1.506 1.00 0.00 C ATOM 658 C LEU A 40 -8.950 5.100 0.462 1.00 0.00 C ATOM 659 O LEU A 40 -9.322 4.597 -0.599 1.00 0.00 O ATOM 660 CB LEU A 40 -8.762 2.834 1.502 1.00 0.00 C ATOM 661 CG LEU A 40 -8.523 2.040 2.789 1.00 0.00 C ATOM 662 CD1 LEU A 40 -8.961 0.594 2.613 1.00 0.00 C ATOM 663 CD2 LEU A 40 -7.058 2.112 3.196 1.00 0.00 C ATOM 0 H LEU A 40 -7.451 5.104 3.268 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.156 4.247 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.835 2.873 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.311 2.292 0.671 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.121 2.484 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.784 0.045 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.023 0.563 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.390 0.137 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.907 1.542 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.439 1.694 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.778 3.152 3.365 1.00 0.00 H new ATOM 675 N ALA A 41 -9.156 6.380 0.766 1.00 0.00 N ATOM 676 CA ALA A 41 -9.846 7.283 -0.149 1.00 0.00 C ATOM 677 C ALA A 41 -11.279 6.815 -0.407 1.00 0.00 C ATOM 678 O ALA A 41 -11.496 5.716 -0.918 1.00 0.00 O ATOM 679 CB ALA A 41 -9.081 7.391 -1.460 1.00 0.00 C ATOM 0 H ALA A 41 -8.855 6.814 1.639 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.891 8.268 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.607 8.068 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.080 7.777 -1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.007 6.406 -1.920 1.00 0.00 H new ATOM 685 N PRO A 42 -12.282 7.643 -0.060 1.00 0.00 N ATOM 686 CA PRO A 42 -13.691 7.297 -0.259 1.00 0.00 C ATOM 687 C PRO A 42 -14.116 7.404 -1.721 1.00 0.00 C ATOM 688 O PRO A 42 -15.025 8.165 -2.060 1.00 0.00 O ATOM 689 CB PRO A 42 -14.427 8.333 0.591 1.00 0.00 C ATOM 690 CG PRO A 42 -13.526 9.517 0.600 1.00 0.00 C ATOM 691 CD PRO A 42 -12.122 8.975 0.558 1.00 0.00 C ATOM 0 HA PRO A 42 -13.903 6.265 0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.400 8.578 0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.606 7.963 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.721 10.161 -0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.684 10.120 1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.463 9.613 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.689 8.905 1.556 1.00 0.00 H new ATOM 699 N LYS A 43 -13.458 6.636 -2.583 1.00 0.00 N ATOM 700 CA LYS A 43 -13.771 6.646 -4.008 1.00 0.00 C ATOM 701 C LYS A 43 -13.412 5.312 -4.654 1.00 0.00 C ATOM 702 O LYS A 43 -14.191 4.755 -5.427 1.00 0.00 O ATOM 703 CB LYS A 43 -13.031 7.786 -4.712 1.00 0.00 C ATOM 704 CG LYS A 43 -11.608 7.992 -4.217 1.00 0.00 C ATOM 705 CD LYS A 43 -11.429 9.361 -3.578 1.00 0.00 C ATOM 706 CE LYS A 43 -10.069 9.956 -3.909 1.00 0.00 C ATOM 707 NZ LYS A 43 -9.782 11.171 -3.098 1.00 0.00 N ATOM 0 H LYS A 43 -12.706 5.999 -2.321 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.844 6.803 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.008 7.585 -5.783 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.591 8.711 -4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.358 7.217 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.913 7.885 -5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.215 10.032 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.537 9.276 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.294 9.210 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.032 10.210 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.846 11.546 -3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.507 11.893 -3.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.792 10.924 -2.088 1.00 0.00 H new ATOM 721 N TYR A 44 -12.228 4.800 -4.330 1.00 0.00 N ATOM 722 CA TYR A 44 -11.769 3.528 -4.879 1.00 0.00 C ATOM 723 C TYR A 44 -12.026 2.390 -3.898 1.00 0.00 C ATOM 724 O TYR A 44 -12.589 1.358 -4.262 1.00 0.00 O ATOM 725 CB TYR A 44 -10.277 3.597 -5.214 1.00 0.00 C ATOM 726 CG TYR A 44 -9.865 4.885 -5.892 1.00 0.00 C ATOM 727 CD1 TYR A 44 -10.208 5.137 -7.214 1.00 0.00 C ATOM 728 CD2 TYR A 44 -9.131 5.847 -5.209 1.00 0.00 C ATOM 729 CE1 TYR A 44 -9.830 6.312 -7.837 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.752 7.024 -5.825 1.00 0.00 C ATOM 731 CZ TYR A 44 -9.104 7.252 -7.137 1.00 0.00 C ATOM 732 OH TYR A 44 -8.728 8.424 -7.754 1.00 0.00 O ATOM 0 H TYR A 44 -11.570 5.246 -3.691 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.330 3.334 -5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.702 3.480 -4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.020 2.758 -5.860 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.779 4.404 -7.764 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.852 5.672 -4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.102 6.492 -8.866 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.182 7.762 -5.280 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.223 8.979 -7.123 1.00 0.00 H new ATOM 742 N LYS A 45 -11.609 2.587 -2.650 1.00 0.00 N ATOM 743 CA LYS A 45 -11.793 1.577 -1.613 1.00 0.00 C ATOM 744 C LYS A 45 -11.013 0.309 -1.944 1.00 0.00 C ATOM 745 O LYS A 45 -11.149 -0.251 -3.031 1.00 0.00 O ATOM 746 CB LYS A 45 -13.279 1.251 -1.443 1.00 0.00 C ATOM 747 CG LYS A 45 -13.802 1.510 -0.040 1.00 0.00 C ATOM 748 CD LYS A 45 -14.278 2.945 0.121 1.00 0.00 C ATOM 749 CE LYS A 45 -15.306 3.067 1.234 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.360 4.069 0.908 1.00 0.00 N ATOM 0 H LYS A 45 -11.142 3.436 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.411 1.981 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.856 1.845 -2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.444 0.204 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.624 0.827 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.016 1.302 0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.427 3.590 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.711 3.293 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.769 2.096 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.807 3.353 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.042 4.123 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.921 5.001 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.854 3.783 0.038 1.00 0.00 H new ATOM 764 N ASP A 46 -10.190 -0.139 -0.999 1.00 0.00 N ATOM 765 CA ASP A 46 -9.387 -1.341 -1.189 1.00 0.00 C ATOM 766 C ASP A 46 -10.273 -2.546 -1.491 1.00 0.00 C ATOM 767 O ASP A 46 -11.267 -2.786 -0.805 1.00 0.00 O ATOM 768 CB ASP A 46 -8.541 -1.616 0.054 1.00 0.00 C ATOM 769 CG ASP A 46 -7.544 -2.738 -0.161 1.00 0.00 C ATOM 770 OD1 ASP A 46 -7.943 -3.792 -0.698 1.00 0.00 O ATOM 771 OD2 ASP A 46 -6.362 -2.561 0.204 1.00 0.00 O ATOM 0 H ASP A 46 -10.063 0.314 -0.094 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.727 -1.175 -2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.007 -0.708 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.196 -1.871 0.887 1.00 0.00 H new ATOM 776 N HIS A 47 -9.907 -3.300 -2.523 1.00 0.00 N ATOM 777 CA HIS A 47 -10.671 -4.480 -2.915 1.00 0.00 C ATOM 778 C HIS A 47 -9.740 -5.629 -3.299 1.00 0.00 C ATOM 779 O HIS A 47 -8.642 -5.404 -3.808 1.00 0.00 O ATOM 780 CB HIS A 47 -11.599 -4.149 -4.083 1.00 0.00 C ATOM 781 CG HIS A 47 -10.884 -3.611 -5.283 1.00 0.00 C ATOM 782 ND1 HIS A 47 -10.336 -2.346 -5.330 1.00 0.00 N ATOM 783 CD2 HIS A 47 -10.625 -4.176 -6.487 1.00 0.00 C ATOM 784 CE1 HIS A 47 -9.774 -2.156 -6.510 1.00 0.00 C ATOM 785 NE2 HIS A 47 -9.936 -3.250 -7.230 1.00 0.00 N ATOM 0 H HIS A 47 -9.088 -3.116 -3.102 1.00 0.00 H new ATOM 0 HA HIS A 47 -11.272 -4.792 -2.061 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.145 -5.048 -4.369 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -12.338 -3.419 -3.753 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.361 -1.664 -4.572 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.908 -5.169 -6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -9.268 -1.258 -6.831 1.00 0.00 H new ATOM 794 N PRO A 48 -10.171 -6.880 -3.059 1.00 0.00 N ATOM 795 CA PRO A 48 -9.371 -8.064 -3.384 1.00 0.00 C ATOM 796 C PRO A 48 -9.310 -8.328 -4.885 1.00 0.00 C ATOM 797 O PRO A 48 -10.141 -7.832 -5.646 1.00 0.00 O ATOM 798 CB PRO A 48 -10.112 -9.196 -2.670 1.00 0.00 C ATOM 799 CG PRO A 48 -11.526 -8.734 -2.598 1.00 0.00 C ATOM 800 CD PRO A 48 -11.469 -7.237 -2.453 1.00 0.00 C ATOM 0 HA PRO A 48 -8.332 -7.954 -3.074 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.029 -10.133 -3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.702 -9.373 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.075 -9.018 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.042 -9.188 -1.752 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.299 -6.752 -2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.521 -6.933 -1.408 1.00 0.00 H new ATOM 808 N LEU A 49 -8.322 -9.111 -5.303 1.00 0.00 N ATOM 809 CA LEU A 49 -8.154 -9.442 -6.713 1.00 0.00 C ATOM 810 C LEU A 49 -8.693 -10.835 -7.013 1.00 0.00 C ATOM 811 O LEU A 49 -9.260 -11.495 -6.141 1.00 0.00 O ATOM 812 CB LEU A 49 -6.677 -9.357 -7.105 1.00 0.00 C ATOM 813 CG LEU A 49 -6.026 -7.993 -6.874 1.00 0.00 C ATOM 814 CD1 LEU A 49 -4.528 -8.149 -6.662 1.00 0.00 C ATOM 815 CD2 LEU A 49 -6.306 -7.064 -8.046 1.00 0.00 C ATOM 0 H LEU A 49 -7.625 -9.528 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.721 -8.720 -7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.123 -10.108 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.581 -9.615 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.457 -7.552 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.080 -7.169 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.347 -8.780 -5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.082 -8.610 -7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.835 -6.098 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.901 -7.499 -8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.382 -6.929 -8.154 1.00 0.00 H new ATOM 827 N LYS A 50 -8.515 -11.280 -8.253 1.00 0.00 N ATOM 828 CA LYS A 50 -8.985 -12.596 -8.668 1.00 0.00 C ATOM 829 C LYS A 50 -8.376 -12.993 -10.010 1.00 0.00 C ATOM 830 O LYS A 50 -8.753 -12.462 -11.054 1.00 0.00 O ATOM 831 CB LYS A 50 -10.514 -12.608 -8.759 1.00 0.00 C ATOM 832 CG LYS A 50 -11.181 -13.427 -7.667 1.00 0.00 C ATOM 833 CD LYS A 50 -12.696 -13.310 -7.731 1.00 0.00 C ATOM 834 CE LYS A 50 -13.201 -12.148 -6.890 1.00 0.00 C ATOM 835 NZ LYS A 50 -14.688 -12.081 -6.871 1.00 0.00 N ATOM 0 H LYS A 50 -8.048 -10.748 -8.988 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.668 -13.322 -7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.881 -11.583 -8.708 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.809 -13.004 -9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.891 -14.473 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.830 -13.090 -6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.008 -13.174 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.149 -14.238 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.829 -12.249 -5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.801 -11.214 -7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.992 -11.276 -6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.042 -11.959 -7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.070 -12.962 -6.471 1.00 0.00 H new ATOM 849 N GLY A 51 -7.436 -13.931 -9.974 1.00 0.00 N ATOM 850 CA GLY A 51 -6.790 -14.382 -11.192 1.00 0.00 C ATOM 851 C GLY A 51 -5.403 -14.939 -10.943 1.00 0.00 C ATOM 852 O GLY A 51 -4.444 -14.557 -11.615 1.00 0.00 O ATOM 0 H GLY A 51 -7.110 -14.387 -9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.406 -15.148 -11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.723 -13.550 -11.893 1.00 0.00 H new ATOM 856 N GLY A 52 -5.295 -15.843 -9.976 1.00 0.00 N ATOM 857 CA GLY A 52 -4.010 -16.439 -9.658 1.00 0.00 C ATOM 858 C GLY A 52 -3.343 -15.783 -8.464 1.00 0.00 C ATOM 859 O GLY A 52 -2.502 -16.392 -7.805 1.00 0.00 O ATOM 0 H GLY A 52 -6.074 -16.174 -9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.146 -17.501 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.353 -16.362 -10.524 1.00 0.00 H new ATOM 863 N LEU A 53 -3.720 -14.539 -8.186 1.00 0.00 N ATOM 864 CA LEU A 53 -3.152 -13.802 -7.063 1.00 0.00 C ATOM 865 C LEU A 53 -4.176 -13.646 -5.943 1.00 0.00 C ATOM 866 O LEU A 53 -4.897 -12.650 -5.882 1.00 0.00 O ATOM 867 CB LEU A 53 -2.667 -12.425 -7.523 1.00 0.00 C ATOM 868 CG LEU A 53 -1.901 -12.417 -8.845 1.00 0.00 C ATOM 869 CD1 LEU A 53 -1.557 -10.993 -9.255 1.00 0.00 C ATOM 870 CD2 LEU A 53 -0.640 -13.261 -8.735 1.00 0.00 C ATOM 0 H LEU A 53 -4.416 -14.021 -8.722 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.303 -14.368 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.530 -11.766 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.027 -12.004 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.539 -12.850 -9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.012 -11.008 -10.199 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.475 -10.417 -9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.938 -10.532 -8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.107 -13.244 -9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.001 -12.857 -7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.910 -14.288 -8.489 1.00 0.00 H new ATOM 882 N LYS A 54 -4.231 -14.635 -5.057 1.00 0.00 N ATOM 883 CA LYS A 54 -5.166 -14.608 -3.938 1.00 0.00 C ATOM 884 C LYS A 54 -4.492 -14.083 -2.673 1.00 0.00 C ATOM 885 O LYS A 54 -4.887 -14.429 -1.561 1.00 0.00 O ATOM 886 CB LYS A 54 -5.731 -16.006 -3.685 1.00 0.00 C ATOM 887 CG LYS A 54 -6.968 -16.322 -4.513 1.00 0.00 C ATOM 888 CD LYS A 54 -7.124 -17.819 -4.736 1.00 0.00 C ATOM 889 CE LYS A 54 -8.348 -18.366 -4.019 1.00 0.00 C ATOM 890 NZ LYS A 54 -9.542 -18.406 -4.910 1.00 0.00 N ATOM 0 H LYS A 54 -3.639 -15.465 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.982 -13.934 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.960 -16.745 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.977 -16.103 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.853 -15.934 -4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.902 -15.815 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.206 -18.022 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.232 -18.335 -4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.135 -19.370 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.565 -17.747 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.355 -18.785 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.761 -17.445 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.344 -19.017 -5.728 1.00 0.00 H new ATOM 904 N ASP A 55 -3.475 -13.246 -2.852 1.00 0.00 N ATOM 905 CA ASP A 55 -2.750 -12.671 -1.725 1.00 0.00 C ATOM 906 C ASP A 55 -2.244 -11.271 -2.061 1.00 0.00 C ATOM 907 O ASP A 55 -1.238 -10.818 -1.516 1.00 0.00 O ATOM 908 CB ASP A 55 -1.575 -13.572 -1.334 1.00 0.00 C ATOM 909 CG ASP A 55 -1.932 -14.536 -0.220 1.00 0.00 C ATOM 910 OD1 ASP A 55 -2.875 -15.333 -0.403 1.00 0.00 O ATOM 911 OD2 ASP A 55 -1.267 -14.493 0.837 1.00 0.00 O ATOM 0 H ASP A 55 -3.134 -12.951 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.437 -12.596 -0.882 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.247 -14.136 -2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.735 -12.953 -1.020 1.00 0.00 H new ATOM 916 N PHE A 56 -2.948 -10.593 -2.961 1.00 0.00 N ATOM 917 CA PHE A 56 -2.573 -9.245 -3.371 1.00 0.00 C ATOM 918 C PHE A 56 -3.744 -8.283 -3.205 1.00 0.00 C ATOM 919 O PHE A 56 -4.904 -8.690 -3.247 1.00 0.00 O ATOM 920 CB PHE A 56 -2.098 -9.245 -4.825 1.00 0.00 C ATOM 921 CG PHE A 56 -0.663 -9.657 -4.989 1.00 0.00 C ATOM 922 CD1 PHE A 56 -0.251 -10.934 -4.642 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.275 -8.768 -5.491 1.00 0.00 C ATOM 924 CE1 PHE A 56 1.067 -11.317 -4.792 1.00 0.00 C ATOM 925 CE2 PHE A 56 1.595 -9.146 -5.644 1.00 0.00 C ATOM 926 CZ PHE A 56 1.993 -10.422 -5.293 1.00 0.00 C ATOM 0 H PHE A 56 -3.783 -10.956 -3.421 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.757 -8.910 -2.731 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.729 -9.919 -5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.230 -8.247 -5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.970 -11.638 -4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.030 -7.769 -5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.374 -12.316 -4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.316 -8.445 -6.038 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.025 -10.719 -5.410 1.00 0.00 H new ATOM 936 N ARG A 57 -3.431 -7.005 -3.016 1.00 0.00 N ATOM 937 CA ARG A 57 -4.459 -5.985 -2.843 1.00 0.00 C ATOM 938 C ARG A 57 -3.878 -4.588 -3.038 1.00 0.00 C ATOM 939 O ARG A 57 -2.769 -4.297 -2.593 1.00 0.00 O ATOM 940 CB ARG A 57 -5.086 -6.096 -1.451 1.00 0.00 C ATOM 941 CG ARG A 57 -6.153 -7.175 -1.348 1.00 0.00 C ATOM 942 CD ARG A 57 -7.162 -6.860 -0.256 1.00 0.00 C ATOM 943 NE ARG A 57 -8.029 -7.999 0.030 1.00 0.00 N ATOM 944 CZ ARG A 57 -7.663 -9.044 0.771 1.00 0.00 C ATOM 945 NH1 ARG A 57 -6.446 -9.096 1.298 1.00 0.00 N ATOM 946 NH2 ARG A 57 -8.515 -10.037 0.982 1.00 0.00 N ATOM 0 H ARG A 57 -2.475 -6.651 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.228 -6.149 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.301 -6.302 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.525 -5.135 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.668 -7.271 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.681 -8.136 -1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.635 -6.568 0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.770 -6.008 -0.559 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.971 -7.995 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.787 -8.334 1.136 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.169 -9.898 1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.451 -10.001 0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.235 -10.837 1.549 1.00 0.00 H new ATOM 960 N GLU A 58 -4.638 -3.728 -3.709 1.00 0.00 N ATOM 961 CA GLU A 58 -4.202 -2.361 -3.966 1.00 0.00 C ATOM 962 C GLU A 58 -5.230 -1.357 -3.452 1.00 0.00 C ATOM 963 O GLU A 58 -6.434 -1.544 -3.625 1.00 0.00 O ATOM 964 CB GLU A 58 -3.972 -2.149 -5.463 1.00 0.00 C ATOM 965 CG GLU A 58 -3.460 -0.762 -5.810 1.00 0.00 C ATOM 966 CD GLU A 58 -4.543 0.134 -6.377 1.00 0.00 C ATOM 967 OE1 GLU A 58 -4.777 0.081 -7.604 1.00 0.00 O ATOM 968 OE2 GLU A 58 -5.158 0.889 -5.596 1.00 0.00 O ATOM 0 H GLU A 58 -5.559 -3.954 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.264 -2.200 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.258 -2.891 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.907 -2.325 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.042 -0.299 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.649 -0.848 -6.534 1.00 0.00 H new ATOM 975 N CYS A 59 -4.745 -0.293 -2.819 1.00 0.00 N ATOM 976 CA CYS A 59 -5.624 0.738 -2.281 1.00 0.00 C ATOM 977 C CYS A 59 -5.028 2.127 -2.494 1.00 0.00 C ATOM 978 O CYS A 59 -3.880 2.264 -2.915 1.00 0.00 O ATOM 979 CB CYS A 59 -5.872 0.499 -0.791 1.00 0.00 C ATOM 980 SG CYS A 59 -4.391 0.640 0.236 1.00 0.00 S ATOM 0 H CYS A 59 -3.751 -0.123 -2.667 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.574 0.685 -2.813 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.615 1.214 -0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.299 -0.495 -0.660 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.703 0.423 1.479 1.00 0.00 H new ATOM 986 N HIS A 60 -5.818 3.154 -2.200 1.00 0.00 N ATOM 987 CA HIS A 60 -5.371 4.533 -2.358 1.00 0.00 C ATOM 988 C HIS A 60 -5.311 5.242 -1.008 1.00 0.00 C ATOM 989 O HIS A 60 -6.238 5.961 -0.632 1.00 0.00 O ATOM 990 CB HIS A 60 -6.306 5.289 -3.303 1.00 0.00 C ATOM 991 CG HIS A 60 -6.076 4.974 -4.749 1.00 0.00 C ATOM 992 ND1 HIS A 60 -5.813 5.940 -5.698 1.00 0.00 N ATOM 993 CD2 HIS A 60 -6.069 3.791 -5.407 1.00 0.00 C ATOM 994 CE1 HIS A 60 -5.656 5.364 -6.878 1.00 0.00 C ATOM 995 NE2 HIS A 60 -5.805 4.061 -6.728 1.00 0.00 N ATOM 0 H HIS A 60 -6.771 3.057 -1.851 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.369 4.518 -2.786 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.338 5.051 -3.047 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.178 6.360 -3.148 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.750 6.942 -5.518 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.239 2.816 -4.974 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.442 5.873 -7.806 1.00 0.00 H new ATOM 1004 N LEU A 61 -4.216 5.033 -0.284 1.00 0.00 N ATOM 1005 CA LEU A 61 -4.037 5.653 1.024 1.00 0.00 C ATOM 1006 C LEU A 61 -4.071 7.174 0.918 1.00 0.00 C ATOM 1007 O LEU A 61 -4.487 7.861 1.851 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.714 5.202 1.649 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.455 5.720 0.951 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.304 5.827 1.939 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -1.080 4.813 -0.211 1.00 0.00 C ATOM 0 H LEU A 61 -3.441 4.440 -0.580 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.861 5.335 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.693 5.526 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.685 4.112 1.654 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.663 6.715 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.583 6.197 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.574 6.516 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.095 4.844 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.182 5.196 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.890 3.806 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.898 4.786 -0.931 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.631 7.694 -0.223 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.612 9.135 -0.448 1.00 0.00 C ATOM 1025 C LYS A 62 -4.128 9.475 -1.843 1.00 0.00 C ATOM 1026 O LYS A 62 -3.979 8.688 -2.779 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.193 9.681 -0.264 1.00 0.00 C ATOM 1028 CG LYS A 62 -2.104 10.807 0.754 1.00 0.00 C ATOM 1029 CD LYS A 62 -1.073 11.849 0.345 1.00 0.00 C ATOM 1030 CE LYS A 62 -1.735 13.148 -0.088 1.00 0.00 C ATOM 1031 NZ LYS A 62 -1.881 13.231 -1.566 1.00 0.00 N ATOM 0 H LYS A 62 -3.283 7.140 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.270 9.603 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.537 8.868 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.823 10.040 -1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.080 11.281 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.841 10.397 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.400 12.043 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.465 11.460 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.717 13.228 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.144 13.992 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.496 14.033 -1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.946 13.368 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.303 12.350 -1.923 1.00 0.00 H new ATOM 1045 N PRO A 63 -4.744 10.658 -2.002 1.00 0.00 N ATOM 1046 CA PRO A 63 -5.282 11.101 -3.292 1.00 0.00 C ATOM 1047 C PRO A 63 -4.248 11.018 -4.410 1.00 0.00 C ATOM 1048 O PRO A 63 -3.131 11.517 -4.274 1.00 0.00 O ATOM 1049 CB PRO A 63 -5.675 12.558 -3.034 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.921 12.631 -1.568 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.963 11.657 -0.939 1.00 0.00 C ATOM 0 HA PRO A 63 -6.111 10.475 -3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.882 13.241 -3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.566 12.834 -3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.753 13.641 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.953 12.371 -1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.032 12.142 -0.645 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.383 11.203 -0.041 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.627 10.384 -5.515 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.732 10.237 -6.657 1.00 0.00 C ATOM 1061 C ASP A 64 -2.498 9.423 -6.281 1.00 0.00 C ATOM 1062 O ASP A 64 -1.419 9.620 -6.841 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.312 11.609 -7.185 1.00 0.00 C ATOM 1064 CG ASP A 64 -4.227 12.111 -8.284 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -4.671 11.285 -9.110 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -4.499 13.329 -8.320 1.00 0.00 O ATOM 0 H ASP A 64 -5.548 9.964 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.271 9.705 -7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.308 12.326 -6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.291 11.553 -7.563 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.663 8.510 -5.330 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.560 7.668 -4.880 1.00 0.00 C ATOM 1073 C LEU A 65 -2.029 6.236 -4.644 1.00 0.00 C ATOM 1074 O LEU A 65 -2.886 5.984 -3.798 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.950 8.233 -3.596 1.00 0.00 C ATOM 1076 CG LEU A 65 0.095 9.330 -3.805 1.00 0.00 C ATOM 1077 CD1 LEU A 65 -0.549 10.704 -3.719 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.214 9.201 -2.781 1.00 0.00 C ATOM 0 H LEU A 65 -3.549 8.334 -4.856 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.801 7.659 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.753 8.630 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.491 7.416 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 65 0.523 9.213 -4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.210 11.472 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.316 10.795 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.004 10.832 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.949 9.989 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.800 9.292 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.695 8.229 -2.888 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.459 5.300 -5.398 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.817 3.892 -5.267 1.00 0.00 C ATOM 1092 C LEU A 66 -0.929 3.209 -4.237 1.00 0.00 C ATOM 1093 O LEU A 66 0.031 3.800 -3.741 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.692 3.172 -6.614 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.954 4.039 -7.853 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.708 4.123 -8.723 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -3.127 3.488 -8.652 1.00 0.00 C ATOM 0 H LEU A 66 -0.749 5.491 -6.105 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.854 3.839 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.689 2.753 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.389 2.334 -6.624 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.207 5.045 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.915 4.742 -9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.107 4.565 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.423 3.122 -9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.298 4.115 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.903 2.471 -8.973 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.021 3.483 -8.029 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.248 1.959 -3.922 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.468 1.199 -2.953 1.00 0.00 C ATOM 1111 C LEU A 67 -0.775 -0.289 -3.035 1.00 0.00 C ATOM 1112 O LEU A 67 -1.761 -0.765 -2.471 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.726 1.703 -1.535 1.00 0.00 C ATOM 1114 CG LEU A 67 -0.107 0.836 -0.438 1.00 0.00 C ATOM 1115 CD1 LEU A 67 1.413 0.864 -0.521 1.00 0.00 C ATOM 1116 CD2 LEU A 67 -0.583 1.285 0.935 1.00 0.00 C ATOM 0 H LEU A 67 -2.038 1.452 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 67 0.584 1.346 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.335 2.716 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.802 1.761 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.435 -0.192 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.832 0.240 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.731 0.483 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.765 1.888 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.131 0.655 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.292 2.322 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.668 1.200 0.990 1.00 0.00 H new ATOM 1128 N VAL A 68 0.093 -1.022 -3.719 1.00 0.00 N ATOM 1129 CA VAL A 68 -0.063 -2.460 -3.852 1.00 0.00 C ATOM 1130 C VAL A 68 0.791 -3.173 -2.810 1.00 0.00 C ATOM 1131 O VAL A 68 1.996 -2.951 -2.730 1.00 0.00 O ATOM 1132 CB VAL A 68 0.332 -2.947 -5.258 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.047 -4.432 -5.414 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.397 -2.144 -6.324 1.00 0.00 C ATOM 0 H VAL A 68 0.913 -0.641 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.116 -2.695 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 68 1.404 -2.793 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.334 -4.754 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.619 -4.992 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.017 -4.616 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.106 -2.502 -7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.473 -2.264 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.135 -1.090 -6.228 1.00 0.00 H new ATOM 1144 N TYR A 69 0.161 -4.015 -2.003 1.00 0.00 N ATOM 1145 CA TYR A 69 0.874 -4.741 -0.958 1.00 0.00 C ATOM 1146 C TYR A 69 0.406 -6.189 -0.868 1.00 0.00 C ATOM 1147 O TYR A 69 -0.714 -6.520 -1.260 1.00 0.00 O ATOM 1148 CB TYR A 69 0.680 -4.050 0.394 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.770 -3.889 0.792 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.547 -4.993 1.119 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -1.361 -2.633 0.841 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.872 -4.850 1.483 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.685 -2.481 1.205 1.00 0.00 C ATOM 1154 CZ TYR A 69 -3.437 -3.592 1.525 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.757 -3.445 1.887 1.00 0.00 O ATOM 0 H TYR A 69 -0.839 -4.213 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 69 1.933 -4.740 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.197 -4.624 1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.150 -3.067 0.360 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.108 -5.979 1.088 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.776 -1.761 0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.463 -5.719 1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.129 -1.497 1.239 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.215 -2.878 1.232 1.00 0.00 H new ATOM 1165 N GLN A 70 1.274 -7.046 -0.341 1.00 0.00 N ATOM 1166 CA GLN A 70 0.960 -8.461 -0.188 1.00 0.00 C ATOM 1167 C GLN A 70 1.279 -8.928 1.230 1.00 0.00 C ATOM 1168 O GLN A 70 2.434 -8.914 1.652 1.00 0.00 O ATOM 1169 CB GLN A 70 1.745 -9.293 -1.203 1.00 0.00 C ATOM 1170 CG GLN A 70 1.473 -10.786 -1.109 1.00 0.00 C ATOM 1171 CD GLN A 70 2.723 -11.592 -0.819 1.00 0.00 C ATOM 1172 OE1 GLN A 70 3.280 -12.239 -1.706 1.00 0.00 O ATOM 1173 NE2 GLN A 70 3.173 -11.559 0.431 1.00 0.00 N ATOM 0 H GLN A 70 2.203 -6.784 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.106 -8.598 -0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.499 -8.950 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.811 -9.117 -1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.738 -10.968 -0.325 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.033 -11.130 -2.045 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.681 -11.010 1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.010 -12.083 0.686 1.00 0.00 H new ATOM 1182 N ILE A 71 0.247 -9.337 1.960 1.00 0.00 N ATOM 1183 CA ILE A 71 0.419 -9.803 3.331 1.00 0.00 C ATOM 1184 C ILE A 71 0.799 -11.281 3.361 1.00 0.00 C ATOM 1185 O ILE A 71 0.128 -12.118 2.757 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.865 -9.580 4.167 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -1.051 -8.092 4.475 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.820 -10.383 5.464 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -1.073 -7.214 3.243 1.00 0.00 C ATOM 0 H ILE A 71 -0.716 -9.355 1.626 1.00 0.00 H new ATOM 0 HA ILE A 71 1.227 -9.219 3.771 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.714 -9.928 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.984 -7.957 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.245 -7.762 5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.734 -10.208 6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.735 -11.445 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.040 -10.071 6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.208 -6.174 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.131 -7.318 2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.896 -7.516 2.595 1.00 0.00 H new ATOM 1201 N LYS A 72 1.877 -11.591 4.072 1.00 0.00 N ATOM 1202 CA LYS A 72 2.347 -12.966 4.187 1.00 0.00 C ATOM 1203 C LYS A 72 1.968 -13.553 5.543 1.00 0.00 C ATOM 1204 O LYS A 72 2.609 -13.267 6.556 1.00 0.00 O ATOM 1205 CB LYS A 72 3.863 -13.029 3.993 1.00 0.00 C ATOM 1206 CG LYS A 72 4.618 -11.944 4.742 1.00 0.00 C ATOM 1207 CD LYS A 72 4.978 -10.779 3.829 1.00 0.00 C ATOM 1208 CE LYS A 72 6.483 -10.658 3.645 1.00 0.00 C ATOM 1209 NZ LYS A 72 6.943 -11.315 2.390 1.00 0.00 N ATOM 0 H LYS A 72 2.442 -10.909 4.577 1.00 0.00 H new ATOM 0 HA LYS A 72 1.867 -13.557 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.223 -14.004 4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.088 -12.949 2.930 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.010 -11.583 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.527 -12.364 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.502 -10.916 2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.586 -9.852 4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.763 -9.605 3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.991 -11.109 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.974 -11.211 2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.698 -12.325 2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.478 -10.868 1.574 1.00 0.00 H new ATOM 1223 N LYS A 73 0.920 -14.368 5.556 1.00 0.00 N ATOM 1224 CA LYS A 73 0.449 -14.993 6.787 1.00 0.00 C ATOM 1225 C LYS A 73 1.544 -15.837 7.433 1.00 0.00 C ATOM 1226 O LYS A 73 1.512 -16.092 8.638 1.00 0.00 O ATOM 1227 CB LYS A 73 -0.778 -15.863 6.504 1.00 0.00 C ATOM 1228 CG LYS A 73 -2.086 -15.087 6.500 1.00 0.00 C ATOM 1229 CD LYS A 73 -3.280 -16.007 6.697 1.00 0.00 C ATOM 1230 CE LYS A 73 -3.972 -16.311 5.378 1.00 0.00 C ATOM 1231 NZ LYS A 73 -5.173 -17.171 5.566 1.00 0.00 N ATOM 0 H LYS A 73 0.379 -14.612 4.726 1.00 0.00 H new ATOM 0 HA LYS A 73 0.175 -14.198 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.652 -16.351 5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.835 -16.651 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.068 -14.338 7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.190 -14.551 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.951 -16.938 7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.989 -15.543 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.266 -15.377 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.271 -16.808 4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.616 -17.355 4.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.890 -18.073 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.853 -16.687 6.186 1.00 0.00 H new ATOM 1245 N GLN A 74 2.512 -16.271 6.631 1.00 0.00 N ATOM 1246 CA GLN A 74 3.613 -17.089 7.133 1.00 0.00 C ATOM 1247 C GLN A 74 4.290 -16.422 8.327 1.00 0.00 C ATOM 1248 O GLN A 74 4.777 -17.097 9.234 1.00 0.00 O ATOM 1249 CB GLN A 74 4.637 -17.346 6.027 1.00 0.00 C ATOM 1250 CG GLN A 74 5.089 -16.085 5.307 1.00 0.00 C ATOM 1251 CD GLN A 74 6.585 -16.052 5.071 1.00 0.00 C ATOM 1252 OE1 GLN A 74 7.252 -17.087 5.089 1.00 0.00 O ATOM 1253 NE2 GLN A 74 7.123 -14.858 4.848 1.00 0.00 N ATOM 0 H GLN A 74 2.557 -16.071 5.632 1.00 0.00 H new ATOM 0 HA GLN A 74 3.199 -18.043 7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.508 -17.840 6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.208 -18.035 5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.572 -16.013 4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.798 -15.213 5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.533 -14.026 4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.126 -14.773 4.683 1.00 0.00 H new ATOM 1262 N GLU A 75 4.313 -15.093 8.323 1.00 0.00 N ATOM 1263 CA GLU A 75 4.928 -14.338 9.410 1.00 0.00 C ATOM 1264 C GLU A 75 4.173 -13.037 9.679 1.00 0.00 C ATOM 1265 O GLU A 75 4.694 -12.136 10.339 1.00 0.00 O ATOM 1266 CB GLU A 75 6.392 -14.032 9.085 1.00 0.00 C ATOM 1267 CG GLU A 75 6.624 -13.627 7.639 1.00 0.00 C ATOM 1268 CD GLU A 75 8.085 -13.356 7.336 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.876 -14.323 7.317 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.437 -12.178 7.118 1.00 0.00 O ATOM 0 H GLU A 75 3.914 -14.517 7.581 1.00 0.00 H new ATOM 0 HA GLU A 75 4.881 -14.953 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.740 -13.232 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.996 -14.911 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.261 -14.417 6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.039 -12.734 7.417 1.00 0.00 H new ATOM 1277 N ASN A 76 2.944 -12.944 9.172 1.00 0.00 N ATOM 1278 CA ASN A 76 2.120 -11.751 9.363 1.00 0.00 C ATOM 1279 C ASN A 76 2.916 -10.475 9.101 1.00 0.00 C ATOM 1280 O ASN A 76 3.249 -9.738 10.029 1.00 0.00 O ATOM 1281 CB ASN A 76 1.548 -11.727 10.783 1.00 0.00 C ATOM 1282 CG ASN A 76 0.187 -12.389 10.872 1.00 0.00 C ATOM 1283 OD1 ASN A 76 -0.371 -12.822 9.864 1.00 0.00 O ATOM 1284 ND2 ASN A 76 -0.353 -12.471 12.081 1.00 0.00 N ATOM 0 H ASN A 76 2.497 -13.681 8.626 1.00 0.00 H new ATOM 0 HA ASN A 76 1.302 -11.792 8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.239 -12.232 11.458 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.469 -10.694 11.122 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.267 -12.907 12.203 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.146 -12.098 12.889 1.00 0.00 H new ATOM 1291 N THR A 77 3.223 -10.221 7.832 1.00 0.00 N ATOM 1292 CA THR A 77 3.981 -9.035 7.455 1.00 0.00 C ATOM 1293 C THR A 77 3.312 -8.299 6.298 1.00 0.00 C ATOM 1294 O THR A 77 2.735 -8.919 5.404 1.00 0.00 O ATOM 1295 CB THR A 77 5.411 -9.423 7.070 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.077 -10.029 8.164 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.250 -8.248 6.617 1.00 0.00 C ATOM 0 H THR A 77 2.959 -10.820 7.050 1.00 0.00 H new ATOM 0 HA THR A 77 4.009 -8.365 8.315 1.00 0.00 H new ATOM 0 HB THR A 77 5.307 -10.117 6.236 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.768 -10.638 7.830 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.251 -8.594 6.359 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.789 -7.787 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.315 -7.516 7.422 1.00 0.00 H new ATOM 1305 N LEU A 78 3.401 -6.973 6.320 1.00 0.00 N ATOM 1306 CA LEU A 78 2.811 -6.148 5.272 1.00 0.00 C ATOM 1307 C LEU A 78 3.885 -5.685 4.291 1.00 0.00 C ATOM 1308 O LEU A 78 4.492 -4.630 4.469 1.00 0.00 O ATOM 1309 CB LEU A 78 2.103 -4.935 5.884 1.00 0.00 C ATOM 1310 CG LEU A 78 1.583 -3.907 4.878 1.00 0.00 C ATOM 1311 CD1 LEU A 78 0.581 -4.546 3.929 1.00 0.00 C ATOM 1312 CD2 LEU A 78 0.954 -2.724 5.601 1.00 0.00 C ATOM 0 H LEU A 78 3.877 -6.446 7.053 1.00 0.00 H new ATOM 0 HA LEU A 78 2.078 -6.748 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.264 -5.289 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.794 -4.437 6.564 1.00 0.00 H new ATOM 0 HG LEU A 78 2.427 -3.544 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.223 -3.799 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.062 -5.359 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.261 -4.939 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.590 -2.003 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.122 -3.072 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.700 -2.249 6.239 1.00 0.00 H new ATOM 1324 N PHE A 79 4.115 -6.487 3.256 1.00 0.00 N ATOM 1325 CA PHE A 79 5.119 -6.164 2.249 1.00 0.00 C ATOM 1326 C PHE A 79 4.506 -5.346 1.115 1.00 0.00 C ATOM 1327 O PHE A 79 3.574 -5.791 0.445 1.00 0.00 O ATOM 1328 CB PHE A 79 5.744 -7.453 1.700 1.00 0.00 C ATOM 1329 CG PHE A 79 6.564 -7.260 0.451 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.272 -6.086 0.239 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.624 -8.256 -0.511 1.00 0.00 C ATOM 1332 CE1 PHE A 79 8.023 -5.912 -0.907 1.00 0.00 C ATOM 1333 CE2 PHE A 79 7.374 -8.086 -1.659 1.00 0.00 C ATOM 1334 CZ PHE A 79 8.075 -6.912 -1.857 1.00 0.00 C ATOM 0 H PHE A 79 3.620 -7.364 3.093 1.00 0.00 H new ATOM 0 HA PHE A 79 5.899 -5.563 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.376 -7.894 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.949 -8.169 1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.236 -5.299 0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.078 -9.176 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.570 -4.993 -1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.412 -8.870 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.662 -6.777 -2.753 1.00 0.00 H new ATOM 1344 N LEU A 80 5.041 -4.147 0.905 1.00 0.00 N ATOM 1345 CA LEU A 80 4.553 -3.263 -0.146 1.00 0.00 C ATOM 1346 C LEU A 80 4.914 -3.811 -1.524 1.00 0.00 C ATOM 1347 O LEU A 80 5.535 -4.867 -1.639 1.00 0.00 O ATOM 1348 CB LEU A 80 5.134 -1.860 0.028 1.00 0.00 C ATOM 1349 CG LEU A 80 5.056 -1.300 1.451 1.00 0.00 C ATOM 1350 CD1 LEU A 80 6.264 -0.428 1.751 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.767 -0.514 1.640 1.00 0.00 C ATOM 0 H LEU A 80 5.814 -3.766 1.450 1.00 0.00 H new ATOM 0 HA LEU A 80 3.467 -3.209 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.178 -1.874 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.610 -1.180 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 80 5.058 -2.135 2.151 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.189 -0.040 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.174 -1.021 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.297 0.403 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.726 -0.122 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.738 0.313 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.913 -1.169 1.469 1.00 0.00 H new ATOM 1363 N VAL A 81 4.515 -3.089 -2.566 1.00 0.00 N ATOM 1364 CA VAL A 81 4.793 -3.507 -3.936 1.00 0.00 C ATOM 1365 C VAL A 81 4.926 -2.301 -4.862 1.00 0.00 C ATOM 1366 O VAL A 81 6.002 -2.030 -5.394 1.00 0.00 O ATOM 1367 CB VAL A 81 3.689 -4.443 -4.469 1.00 0.00 C ATOM 1368 CG1 VAL A 81 3.999 -4.907 -5.884 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.506 -5.635 -3.541 1.00 0.00 C ATOM 0 H VAL A 81 3.999 -2.213 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 81 5.738 -4.049 -3.921 1.00 0.00 H new ATOM 0 HB VAL A 81 2.756 -3.881 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.204 -5.565 -6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.070 -4.042 -6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.946 -5.447 -5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.723 -6.284 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.441 -6.192 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.223 -5.284 -2.549 1.00 0.00 H new ATOM 1379 N ARG A 82 3.825 -1.580 -5.049 1.00 0.00 N ATOM 1380 CA ARG A 82 3.821 -0.404 -5.912 1.00 0.00 C ATOM 1381 C ARG A 82 3.260 0.811 -5.178 1.00 0.00 C ATOM 1382 O ARG A 82 2.606 0.674 -4.143 1.00 0.00 O ATOM 1383 CB ARG A 82 3.000 -0.673 -7.175 1.00 0.00 C ATOM 1384 CG ARG A 82 3.604 -1.740 -8.074 1.00 0.00 C ATOM 1385 CD ARG A 82 3.363 -1.432 -9.543 1.00 0.00 C ATOM 1386 NE ARG A 82 4.432 -0.617 -10.113 1.00 0.00 N ATOM 1387 CZ ARG A 82 4.665 -0.504 -11.419 1.00 0.00 C ATOM 1388 NH1 ARG A 82 3.906 -1.155 -12.292 1.00 0.00 N ATOM 1389 NH2 ARG A 82 5.658 0.258 -11.853 1.00 0.00 N ATOM 0 H ARG A 82 2.926 -1.789 -4.615 1.00 0.00 H new ATOM 0 HA ARG A 82 4.852 -0.191 -6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.994 -0.978 -6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.902 0.254 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.675 -1.811 -7.887 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.173 -2.711 -7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.282 -2.365 -10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 82 2.412 -0.911 -9.653 1.00 0.00 H new ATOM 0 HE ARG A 82 5.037 -0.103 -9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.141 -1.744 -11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.088 -1.066 -13.292 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.245 0.759 -11.186 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.835 0.344 -12.854 1.00 0.00 H new ATOM 1403 N LEU A 83 3.520 1.996 -5.718 1.00 0.00 N ATOM 1404 CA LEU A 83 3.042 3.233 -5.114 1.00 0.00 C ATOM 1405 C LEU A 83 3.235 4.414 -6.059 1.00 0.00 C ATOM 1406 O LEU A 83 4.134 4.408 -6.900 1.00 0.00 O ATOM 1407 CB LEU A 83 3.773 3.496 -3.796 1.00 0.00 C ATOM 1408 CG LEU A 83 3.100 4.515 -2.874 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.271 4.113 -1.417 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.670 5.906 -3.116 1.00 0.00 C ATOM 0 H LEU A 83 4.060 2.126 -6.574 1.00 0.00 H new ATOM 0 HA LEU A 83 1.976 3.121 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.872 2.553 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.782 3.843 -4.021 1.00 0.00 H new ATOM 0 HG LEU A 83 2.034 4.534 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.786 4.850 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.817 3.135 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.333 4.065 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.181 6.620 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.742 5.900 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.496 6.195 -4.152 1.00 0.00 H new ATOM 1422 N GLY A 84 2.386 5.427 -5.913 1.00 0.00 N ATOM 1423 CA GLY A 84 2.482 6.603 -6.760 1.00 0.00 C ATOM 1424 C GLY A 84 1.205 6.866 -7.533 1.00 0.00 C ATOM 1425 O GLY A 84 0.169 6.265 -7.255 1.00 0.00 O ATOM 0 H GLY A 84 1.634 5.455 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.716 7.472 -6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.308 6.476 -7.460 1.00 0.00 H new ATOM 1429 N SER A 85 1.281 7.768 -8.506 1.00 0.00 N ATOM 1430 CA SER A 85 0.122 8.111 -9.323 1.00 0.00 C ATOM 1431 C SER A 85 0.113 7.306 -10.618 1.00 0.00 C ATOM 1432 O SER A 85 1.081 6.617 -10.938 1.00 0.00 O ATOM 1433 CB SER A 85 0.118 9.608 -9.638 1.00 0.00 C ATOM 1434 OG SER A 85 -0.842 9.917 -10.634 1.00 0.00 O ATOM 0 H SER A 85 2.133 8.275 -8.748 1.00 0.00 H new ATOM 0 HA SER A 85 -0.776 7.865 -8.757 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.099 10.173 -8.731 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.108 9.915 -9.975 1.00 0.00 H new ATOM 0 HG SER A 85 -0.826 10.880 -10.816 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.985 7.401 -11.360 1.00 0.00 N ATOM 1441 CA HIS A 86 -1.120 6.682 -12.621 1.00 0.00 C ATOM 1442 C HIS A 86 -0.400 7.418 -13.746 1.00 0.00 C ATOM 1443 O HIS A 86 0.094 6.798 -14.689 1.00 0.00 O ATOM 1444 CB HIS A 86 -2.598 6.503 -12.975 1.00 0.00 C ATOM 1445 CG HIS A 86 -2.929 5.137 -13.489 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -2.929 4.817 -14.831 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -3.272 4.002 -12.834 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -3.258 3.546 -14.978 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -3.470 3.029 -13.782 1.00 0.00 N ATOM 0 H HIS A 86 -1.794 7.969 -11.110 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.662 5.700 -12.502 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.202 6.706 -12.091 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.875 7.242 -13.727 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.371 3.884 -11.765 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.340 3.019 -15.917 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.738 2.063 -13.593 1.00 0.00 H new ATOM 1458 N SER A 87 -0.344 8.741 -13.642 1.00 0.00 N ATOM 1459 CA SER A 87 0.317 9.560 -14.651 1.00 0.00 C ATOM 1460 C SER A 87 1.814 9.659 -14.380 1.00 0.00 C ATOM 1461 O SER A 87 2.630 9.563 -15.298 1.00 0.00 O ATOM 1462 CB SER A 87 -0.300 10.960 -14.684 1.00 0.00 C ATOM 1463 OG SER A 87 -0.062 11.652 -13.471 1.00 0.00 O ATOM 0 H SER A 87 -0.749 9.269 -12.869 1.00 0.00 H new ATOM 0 HA SER A 87 0.174 9.082 -15.620 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.118 11.525 -15.517 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.373 10.884 -14.858 1.00 0.00 H new ATOM 0 HG SER A 87 -0.465 12.544 -13.519 1.00 0.00 H new ATOM 1469 N GLU A 88 2.170 9.849 -13.114 1.00 0.00 N ATOM 1470 CA GLU A 88 3.571 9.961 -12.722 1.00 0.00 C ATOM 1471 C GLU A 88 4.331 8.680 -13.052 1.00 0.00 C ATOM 1472 O GLU A 88 5.486 8.725 -13.478 1.00 0.00 O ATOM 1473 CB GLU A 88 3.680 10.265 -11.225 1.00 0.00 C ATOM 1474 CG GLU A 88 4.748 11.296 -10.892 1.00 0.00 C ATOM 1475 CD GLU A 88 6.108 10.929 -11.452 1.00 0.00 C ATOM 1476 OE1 GLU A 88 6.510 9.756 -11.313 1.00 0.00 O ATOM 1477 OE2 GLU A 88 6.771 11.816 -12.030 1.00 0.00 O ATOM 0 H GLU A 88 1.508 9.929 -12.342 1.00 0.00 H new ATOM 0 HA GLU A 88 4.017 10.781 -13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.716 10.622 -10.864 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.898 9.341 -10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.447 12.266 -11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.821 11.401 -9.810 1.00 0.00 H new ATOM 1484 N LEU A 89 3.678 7.541 -12.849 1.00 0.00 N ATOM 1485 CA LEU A 89 4.294 6.248 -13.125 1.00 0.00 C ATOM 1486 C LEU A 89 4.398 6.005 -14.627 1.00 0.00 C ATOM 1487 O LEU A 89 5.405 5.494 -15.115 1.00 0.00 O ATOM 1488 CB LEU A 89 3.487 5.125 -12.466 1.00 0.00 C ATOM 1489 CG LEU A 89 3.998 4.681 -11.095 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.361 4.018 -11.222 1.00 0.00 C ATOM 1491 CD2 LEU A 89 4.065 5.865 -10.144 1.00 0.00 C ATOM 0 H LEU A 89 2.723 7.487 -12.495 1.00 0.00 H new ATOM 0 HA LEU A 89 5.301 6.255 -12.707 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.453 5.454 -12.363 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.482 4.262 -13.132 1.00 0.00 H new ATOM 0 HG LEU A 89 3.299 3.951 -10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.708 3.709 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.282 3.145 -11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.071 4.725 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.431 5.531 -9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.742 6.618 -10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.070 6.296 -10.029 1.00 0.00 H new ATOM 1503 N PHE A 90 3.348 6.373 -15.355 1.00 0.00 N ATOM 1504 CA PHE A 90 3.320 6.195 -16.803 1.00 0.00 C ATOM 1505 C PHE A 90 3.899 7.415 -17.512 1.00 0.00 C ATOM 1506 O PHE A 90 4.525 8.254 -16.831 1.00 0.00 O ATOM 1507 CB PHE A 90 1.889 5.944 -17.279 1.00 0.00 C ATOM 1508 CG PHE A 90 1.377 4.571 -16.947 1.00 0.00 C ATOM 1509 CD1 PHE A 90 1.350 4.126 -15.635 1.00 0.00 C ATOM 1510 CD2 PHE A 90 0.924 3.727 -17.947 1.00 0.00 C ATOM 1511 CE1 PHE A 90 0.879 2.865 -15.326 1.00 0.00 C ATOM 1512 CE2 PHE A 90 0.454 2.463 -17.644 1.00 0.00 C ATOM 1513 CZ PHE A 90 0.430 2.031 -16.333 1.00 0.00 C ATOM 0 H PHE A 90 2.505 6.796 -14.966 1.00 0.00 H new ATOM 0 HA PHE A 90 3.934 5.329 -17.050 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.230 6.687 -16.830 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.843 6.089 -18.358 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.701 4.773 -14.845 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.938 4.060 -18.974 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.861 2.531 -14.299 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.105 1.813 -18.433 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.061 1.044 -16.095 1.00 0.00 H new TER 1523 PHE A 90