USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC H2D : A 101 HEC O2D : A 101 HEC CGD :(short bond) USER MOD Set 1.1: A 45 ASN : amide:sc= -0.0101 X(o=-0.019,f=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -127:sc=-0.00875 (180deg=0) USER MOD Set 2.1: A 46 TYR OH : rot -120:sc= 0 USER MOD Set 2.2: A 50 MET CE :methyl 180:sc= -0.0129 (180deg=-0.0129) USER MOD Set 2.3: A 76 THR OG1 : rot 16:sc= 0.111 USER MOD Set 2.4: A 101 HEC O2A : rot -77:sc= 0.622 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 1.16 (180deg=-0.0393) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= 0.54 (180deg=0.42) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0.609 (180deg=0.598) USER MOD Single : A 23 ASN : amide:sc= 0.0303 X(o=0.03,f=0) USER MOD Single : A 29 HIS : no HD1:sc=-0.00777 X(o=-0.0078,f=-0.0091) USER MOD Single : A 31 ASN : amide:sc= 0.446 K(o=0.45,f=-1.2) USER MOD Single : A 37 THR OG1 : rot -76:sc= 0.00294 USER MOD Single : A 47 SER OG : rot 145:sc= 1.25 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.37) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0913 USER MOD Single : A 63 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.86) USER MOD Single : A 67 THR OG1 : rot -48:sc= 0.728 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 0.83 (180deg=0.664) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.119) USER MOD Single : A 91 ASN : amide:sc= 0.115 K(o=0.12,f=-5.1!) USER MOD Single : A 95 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 GLN : amide:sc=-0.000873 K(o=-0.00087,f=-1.6!) USER MOD Single : A 100 GLN : amide:sc= 0.849 K(o=0.85,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.686 0.558 -0.723 1.00 0.00 N ATOM 2 CA MET A 1 3.100 0.469 -0.257 1.00 0.00 C ATOM 3 C MET A 1 4.037 -0.474 -1.076 1.00 0.00 C ATOM 4 O MET A 1 5.205 -0.131 -1.264 1.00 0.00 O ATOM 5 CB MET A 1 3.164 0.259 1.284 1.00 0.00 C ATOM 6 CG MET A 1 2.810 -1.135 1.848 1.00 0.00 C ATOM 7 SD MET A 1 1.074 -1.528 1.549 1.00 0.00 S ATOM 8 CE MET A 1 1.039 -3.221 2.158 1.00 0.00 C ATOM 0 H1 MET A 1 1.343 1.533 -0.607 1.00 0.00 H new ATOM 0 H2 MET A 1 1.634 0.290 -1.727 1.00 0.00 H new ATOM 0 H3 MET A 1 1.094 -0.087 -0.161 1.00 0.00 H new ATOM 0 HA MET A 1 3.540 1.442 -0.476 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.175 0.503 1.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.495 0.985 1.747 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.443 -1.891 1.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.014 -1.161 2.918 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.033 -3.626 2.049 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.739 -3.829 1.584 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.324 -3.235 3.210 1.00 0.00 H new ATOM 19 N ALA A 2 3.560 -1.644 -1.540 1.00 0.00 N ATOM 20 CA ALA A 2 4.360 -2.585 -2.363 1.00 0.00 C ATOM 21 C ALA A 2 4.119 -2.368 -3.887 1.00 0.00 C ATOM 22 O ALA A 2 3.148 -2.864 -4.468 1.00 0.00 O ATOM 23 CB ALA A 2 3.971 -4.006 -1.908 1.00 0.00 C ATOM 0 H ALA A 2 2.610 -1.968 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 2 5.427 -2.418 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.534 -4.740 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.200 -4.124 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.904 -4.160 -2.068 1.00 0.00 H new ATOM 29 N ASP A 3 4.985 -1.592 -4.553 1.00 0.00 N ATOM 30 CA ASP A 3 4.929 -1.397 -6.030 1.00 0.00 C ATOM 31 C ASP A 3 6.349 -1.682 -6.641 1.00 0.00 C ATOM 32 O ASP A 3 7.237 -0.835 -6.483 1.00 0.00 O ATOM 33 CB ASP A 3 4.399 0.022 -6.378 1.00 0.00 C ATOM 34 CG ASP A 3 2.937 0.408 -6.097 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.197 -0.566 -5.480 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.489 1.503 -6.423 1.00 0.00 O ATOM 0 H ASP A 3 5.742 -1.081 -4.099 1.00 0.00 H new ATOM 0 HA ASP A 3 4.225 -2.102 -6.473 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.027 0.737 -5.847 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.572 0.176 -7.443 1.00 0.00 H new ATOM 41 N PRO A 4 6.628 -2.814 -7.358 1.00 0.00 N ATOM 42 CA PRO A 4 7.985 -3.104 -7.920 1.00 0.00 C ATOM 43 C PRO A 4 8.488 -2.204 -9.102 1.00 0.00 C ATOM 44 O PRO A 4 9.686 -1.924 -9.192 1.00 0.00 O ATOM 45 CB PRO A 4 7.874 -4.602 -8.268 1.00 0.00 C ATOM 46 CG PRO A 4 6.390 -4.860 -8.533 1.00 0.00 C ATOM 47 CD PRO A 4 5.651 -3.895 -7.604 1.00 0.00 C ATOM 0 HA PRO A 4 8.768 -2.861 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.476 -4.845 -9.144 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.238 -5.222 -7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.137 -4.675 -9.577 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.125 -5.895 -8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.742 -3.513 -8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.354 -4.383 -6.676 1.00 0.00 H new ATOM 55 N ALA A 5 7.575 -1.697 -9.950 1.00 0.00 N ATOM 56 CA ALA A 5 7.870 -0.598 -10.917 1.00 0.00 C ATOM 57 C ALA A 5 8.233 0.807 -10.318 1.00 0.00 C ATOM 58 O ALA A 5 8.953 1.575 -10.959 1.00 0.00 O ATOM 59 CB ALA A 5 6.655 -0.516 -11.860 1.00 0.00 C ATOM 0 H ALA A 5 6.612 -2.029 -9.993 1.00 0.00 H new ATOM 0 HA ALA A 5 8.797 -0.858 -11.428 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.816 0.275 -12.592 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.530 -1.468 -12.376 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.758 -0.297 -11.280 1.00 0.00 H new ATOM 65 N ALA A 6 7.793 1.131 -9.088 1.00 0.00 N ATOM 66 CA ALA A 6 8.451 2.174 -8.254 1.00 0.00 C ATOM 67 C ALA A 6 9.788 1.734 -7.559 1.00 0.00 C ATOM 68 O ALA A 6 10.718 2.537 -7.472 1.00 0.00 O ATOM 69 CB ALA A 6 7.399 2.662 -7.244 1.00 0.00 C ATOM 0 H ALA A 6 6.987 0.691 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 6 8.784 2.979 -8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.836 3.431 -6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.545 3.076 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.070 1.825 -6.629 1.00 0.00 H new ATOM 75 N GLY A 7 9.923 0.476 -7.093 1.00 0.00 N ATOM 76 CA GLY A 7 11.183 -0.043 -6.487 1.00 0.00 C ATOM 77 C GLY A 7 12.460 -0.125 -7.354 1.00 0.00 C ATOM 78 O GLY A 7 13.562 -0.048 -6.810 1.00 0.00 O ATOM 0 H GLY A 7 9.170 -0.212 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.413 0.581 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.977 -1.045 -6.111 1.00 0.00 H new ATOM 82 N GLU A 8 12.317 -0.238 -8.683 1.00 0.00 N ATOM 83 CA GLU A 8 13.453 -0.090 -9.648 1.00 0.00 C ATOM 84 C GLU A 8 14.164 1.302 -9.670 1.00 0.00 C ATOM 85 O GLU A 8 15.394 1.386 -9.668 1.00 0.00 O ATOM 86 CB GLU A 8 12.993 -0.585 -11.050 1.00 0.00 C ATOM 87 CG GLU A 8 11.920 0.201 -11.849 1.00 0.00 C ATOM 88 CD GLU A 8 12.421 1.366 -12.705 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.377 1.297 -13.471 1.00 0.00 O ATOM 90 OE2 GLU A 8 11.673 2.490 -12.539 1.00 0.00 O ATOM 0 H GLU A 8 11.422 -0.433 -9.132 1.00 0.00 H new ATOM 0 HA GLU A 8 14.259 -0.727 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.882 -0.645 -11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.621 -1.602 -10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.398 -0.500 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.185 0.588 -11.143 1.00 0.00 H new ATOM 97 N LYS A 9 13.370 2.378 -9.646 1.00 0.00 N ATOM 98 CA LYS A 9 13.860 3.767 -9.418 1.00 0.00 C ATOM 99 C LYS A 9 14.262 4.101 -7.939 1.00 0.00 C ATOM 100 O LYS A 9 15.257 4.804 -7.743 1.00 0.00 O ATOM 101 CB LYS A 9 12.885 4.781 -10.079 1.00 0.00 C ATOM 102 CG LYS A 9 11.386 4.654 -9.715 1.00 0.00 C ATOM 103 CD LYS A 9 10.475 5.751 -10.299 1.00 0.00 C ATOM 104 CE LYS A 9 10.209 5.590 -11.806 1.00 0.00 C ATOM 105 NZ LYS A 9 9.296 6.647 -12.278 1.00 0.00 N ATOM 0 H LYS A 9 12.361 2.323 -9.784 1.00 0.00 H new ATOM 0 HA LYS A 9 14.823 3.859 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.213 5.787 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.980 4.687 -11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.026 3.684 -10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.290 4.664 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.524 5.743 -9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.932 6.724 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.149 5.639 -12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.775 4.610 -12.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.124 6.528 -13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.394 6.581 -11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.725 7.579 -12.106 1.00 0.00 H new ATOM 118 N VAL A 10 13.586 3.551 -6.905 1.00 0.00 N ATOM 119 CA VAL A 10 14.115 3.542 -5.497 1.00 0.00 C ATOM 120 C VAL A 10 15.511 2.823 -5.340 1.00 0.00 C ATOM 121 O VAL A 10 16.396 3.374 -4.677 1.00 0.00 O ATOM 122 CB VAL A 10 13.047 3.006 -4.480 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.539 3.040 -3.019 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.706 3.777 -4.467 1.00 0.00 C ATOM 0 H VAL A 10 12.674 3.105 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 10 14.310 4.585 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 10 12.891 1.990 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.757 2.657 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.431 2.421 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.778 4.066 -2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.036 3.330 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.888 4.819 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.247 3.726 -5.454 1.00 0.00 H new ATOM 134 N PHE A 11 15.743 1.651 -5.973 1.00 0.00 N ATOM 135 CA PHE A 11 17.106 1.054 -6.116 1.00 0.00 C ATOM 136 C PHE A 11 18.242 1.961 -6.711 1.00 0.00 C ATOM 137 O PHE A 11 19.411 1.682 -6.440 1.00 0.00 O ATOM 138 CB PHE A 11 16.953 -0.294 -6.878 1.00 0.00 C ATOM 139 CG PHE A 11 18.202 -1.199 -6.887 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.551 -1.918 -5.740 1.00 0.00 C ATOM 141 CD2 PHE A 11 19.017 -1.284 -8.021 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.696 -2.710 -5.724 1.00 0.00 C ATOM 143 CE2 PHE A 11 20.164 -2.078 -8.004 1.00 0.00 C ATOM 144 CZ PHE A 11 20.506 -2.784 -6.853 1.00 0.00 C ATOM 0 H PHE A 11 15.004 1.091 -6.398 1.00 0.00 H new ATOM 0 HA PHE A 11 17.482 0.909 -5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.127 -0.850 -6.435 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.675 -0.078 -7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 11 17.928 -1.859 -4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.757 -0.733 -8.913 1.00 0.00 H new ATOM 0 HE1 PHE A 11 19.955 -3.267 -4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.787 -2.145 -8.884 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.400 -3.389 -6.837 1.00 0.00 H new ATOM 154 N GLY A 12 17.945 3.070 -7.417 1.00 0.00 N ATOM 155 CA GLY A 12 18.951 4.135 -7.685 1.00 0.00 C ATOM 156 C GLY A 12 19.724 4.784 -6.498 1.00 0.00 C ATOM 157 O GLY A 12 20.878 5.176 -6.677 1.00 0.00 O ATOM 0 H GLY A 12 17.024 3.258 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.692 3.718 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.442 4.937 -8.219 1.00 0.00 H new ATOM 161 N LYS A 13 19.129 4.845 -5.292 1.00 0.00 N ATOM 162 CA LYS A 13 19.886 5.107 -4.025 1.00 0.00 C ATOM 163 C LYS A 13 20.870 3.962 -3.575 1.00 0.00 C ATOM 164 O LYS A 13 21.925 4.250 -3.005 1.00 0.00 O ATOM 165 CB LYS A 13 18.898 5.456 -2.871 1.00 0.00 C ATOM 166 CG LYS A 13 18.172 6.828 -2.937 1.00 0.00 C ATOM 167 CD LYS A 13 16.781 6.837 -3.619 1.00 0.00 C ATOM 168 CE LYS A 13 15.611 6.232 -2.815 1.00 0.00 C ATOM 169 NZ LYS A 13 15.189 7.085 -1.684 1.00 0.00 N ATOM 0 H LYS A 13 18.126 4.718 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 13 20.530 5.956 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.138 4.675 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.449 5.412 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.057 7.203 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 13 18.816 7.531 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.528 7.869 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.861 6.297 -4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.763 6.074 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.905 5.253 -2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.252 6.781 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.877 6.999 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.141 8.076 -1.996 1.00 0.00 H new ATOM 182 N CYS A 14 20.525 2.683 -3.808 1.00 0.00 N ATOM 183 CA CYS A 14 21.405 1.520 -3.520 1.00 0.00 C ATOM 184 C CYS A 14 22.482 1.172 -4.614 1.00 0.00 C ATOM 185 O CYS A 14 23.563 0.693 -4.259 1.00 0.00 O ATOM 186 CB CYS A 14 20.463 0.317 -3.270 1.00 0.00 C ATOM 187 SG CYS A 14 18.954 0.716 -2.333 1.00 0.00 S ATOM 0 H CYS A 14 19.623 2.418 -4.204 1.00 0.00 H new ATOM 0 HA CYS A 14 22.018 1.776 -2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.176 -0.108 -4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.015 -0.454 -2.733 1.00 0.00 H new ATOM 192 N LYS A 15 22.194 1.374 -5.921 1.00 0.00 N ATOM 193 CA LYS A 15 23.006 0.813 -7.049 1.00 0.00 C ATOM 194 C LYS A 15 24.496 1.256 -7.238 1.00 0.00 C ATOM 195 O LYS A 15 25.286 0.503 -7.816 1.00 0.00 O ATOM 196 CB LYS A 15 22.193 0.926 -8.370 1.00 0.00 C ATOM 197 CG LYS A 15 22.164 2.302 -9.077 1.00 0.00 C ATOM 198 CD LYS A 15 21.242 2.300 -10.312 1.00 0.00 C ATOM 199 CE LYS A 15 21.216 3.665 -11.016 1.00 0.00 C ATOM 200 NZ LYS A 15 20.297 3.622 -12.168 1.00 0.00 N ATOM 0 H LYS A 15 21.396 1.928 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 15 23.166 -0.220 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.592 0.195 -9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.164 0.636 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.826 3.063 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 15 23.175 2.575 -9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.579 1.537 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.231 2.030 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.899 4.438 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.219 3.930 -11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.286 4.550 -12.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.618 2.897 -12.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.338 3.389 -11.839 1.00 0.00 H new ATOM 213 N ALA A 16 24.887 2.450 -6.753 1.00 0.00 N ATOM 214 CA ALA A 16 26.320 2.841 -6.633 1.00 0.00 C ATOM 215 C ALA A 16 27.195 1.932 -5.703 1.00 0.00 C ATOM 216 O ALA A 16 28.342 1.629 -6.041 1.00 0.00 O ATOM 217 CB ALA A 16 26.338 4.314 -6.178 1.00 0.00 C ATOM 0 H ALA A 16 24.235 3.167 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 16 26.792 2.705 -7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.370 4.650 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.828 4.930 -6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.829 4.405 -5.218 1.00 0.00 H new ATOM 223 N CYS A 17 26.640 1.484 -4.563 1.00 0.00 N ATOM 224 CA CYS A 17 27.255 0.429 -3.727 1.00 0.00 C ATOM 225 C CYS A 17 26.918 -1.046 -4.134 1.00 0.00 C ATOM 226 O CYS A 17 27.831 -1.875 -4.123 1.00 0.00 O ATOM 227 CB CYS A 17 26.848 0.719 -2.271 1.00 0.00 C ATOM 228 SG CYS A 17 27.353 2.382 -1.736 1.00 0.00 S ATOM 0 H CYS A 17 25.758 1.838 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 17 28.334 0.477 -3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.767 0.619 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.299 -0.025 -1.614 1.00 0.00 H new ATOM 233 N HIS A 18 25.648 -1.394 -4.421 1.00 0.00 N ATOM 234 CA HIS A 18 25.202 -2.810 -4.584 1.00 0.00 C ATOM 235 C HIS A 18 24.809 -3.178 -6.050 1.00 0.00 C ATOM 236 O HIS A 18 24.063 -2.446 -6.707 1.00 0.00 O ATOM 237 CB HIS A 18 23.962 -3.036 -3.681 1.00 0.00 C ATOM 238 CG HIS A 18 24.219 -3.119 -2.182 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.583 -4.283 -1.558 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.868 -2.160 -1.229 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.357 -3.963 -0.259 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.894 -2.693 0.072 1.00 0.00 N ATOM 0 H HIS A 18 24.899 -0.713 -4.548 1.00 0.00 H new ATOM 0 HA HIS A 18 26.044 -3.444 -4.307 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.256 -2.225 -3.862 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.475 -3.959 -3.995 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.930 -5.154 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.609 -1.138 -1.462 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.536 -4.693 0.517 1.00 0.00 H new ATOM 250 N LYS A 19 25.210 -4.374 -6.522 1.00 0.00 N ATOM 251 CA LYS A 19 24.755 -4.920 -7.839 1.00 0.00 C ATOM 252 C LYS A 19 23.741 -6.090 -7.652 1.00 0.00 C ATOM 253 O LYS A 19 23.881 -6.955 -6.785 1.00 0.00 O ATOM 254 CB LYS A 19 25.959 -5.363 -8.731 1.00 0.00 C ATOM 255 CG LYS A 19 27.077 -4.308 -8.975 1.00 0.00 C ATOM 256 CD LYS A 19 26.602 -2.933 -9.497 1.00 0.00 C ATOM 257 CE LYS A 19 27.735 -1.897 -9.539 1.00 0.00 C ATOM 258 NZ LYS A 19 27.183 -0.571 -9.884 1.00 0.00 N ATOM 0 H LYS A 19 25.849 -4.990 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 19 24.242 -4.111 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.415 -6.242 -8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.568 -5.674 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.616 -4.154 -8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.790 -4.720 -9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 19 26.185 -3.052 -10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 19 25.799 -2.563 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.237 -1.853 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 19 28.484 -2.192 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 27.961 0.111 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 26.651 -0.638 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 26.548 -0.251 -9.125 1.00 0.00 H new ATOM 271 N LEU A 20 22.736 -6.158 -8.531 1.00 0.00 N ATOM 272 CA LEU A 20 21.909 -7.393 -8.710 1.00 0.00 C ATOM 273 C LEU A 20 22.538 -8.469 -9.657 1.00 0.00 C ATOM 274 O LEU A 20 22.292 -9.663 -9.463 1.00 0.00 O ATOM 275 CB LEU A 20 20.490 -6.967 -9.177 1.00 0.00 C ATOM 276 CG LEU A 20 19.619 -6.287 -8.086 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.539 -5.407 -8.725 1.00 0.00 C ATOM 278 CD2 LEU A 20 18.937 -7.309 -7.165 1.00 0.00 C ATOM 0 H LEU A 20 22.463 -5.384 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 20 21.859 -7.898 -7.745 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.591 -6.283 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.964 -7.849 -9.544 1.00 0.00 H new ATOM 0 HG LEU A 20 20.296 -5.677 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.940 -4.940 -7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.011 -4.634 -9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.896 -6.021 -9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.340 -6.785 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.291 -7.958 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.696 -7.911 -6.665 1.00 0.00 H new ATOM 290 N ASP A 21 23.362 -8.094 -10.656 1.00 0.00 N ATOM 291 CA ASP A 21 23.850 -9.054 -11.694 1.00 0.00 C ATOM 292 C ASP A 21 25.215 -9.690 -11.278 1.00 0.00 C ATOM 293 O ASP A 21 26.256 -9.456 -11.903 1.00 0.00 O ATOM 294 CB ASP A 21 23.890 -8.326 -13.066 1.00 0.00 C ATOM 295 CG ASP A 21 22.528 -7.980 -13.668 1.00 0.00 C ATOM 296 OD1 ASP A 21 21.895 -8.735 -14.398 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.097 -6.740 -13.307 1.00 0.00 O ATOM 0 H ASP A 21 23.708 -7.142 -10.775 1.00 0.00 H new ATOM 0 HA ASP A 21 23.164 -9.896 -11.786 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.462 -7.405 -12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.432 -8.953 -13.774 1.00 0.00 H new ATOM 302 N GLY A 22 25.215 -10.455 -10.164 1.00 0.00 N ATOM 303 CA GLY A 22 26.473 -10.851 -9.487 1.00 0.00 C ATOM 304 C GLY A 22 27.270 -9.647 -8.940 1.00 0.00 C ATOM 305 O GLY A 22 26.708 -8.764 -8.289 1.00 0.00 O ATOM 0 H GLY A 22 24.369 -10.808 -9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.239 -11.528 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.098 -11.404 -10.188 1.00 0.00 H new ATOM 309 N ASN A 23 28.571 -9.600 -9.260 1.00 0.00 N ATOM 310 CA ASN A 23 29.513 -8.549 -8.760 1.00 0.00 C ATOM 311 C ASN A 23 29.496 -8.330 -7.195 1.00 0.00 C ATOM 312 O ASN A 23 28.980 -9.160 -6.440 1.00 0.00 O ATOM 313 CB ASN A 23 29.326 -7.277 -9.654 1.00 0.00 C ATOM 314 CG ASN A 23 29.764 -7.398 -11.118 1.00 0.00 C ATOM 315 OD1 ASN A 23 30.928 -7.220 -11.454 1.00 0.00 O ATOM 316 ND2 ASN A 23 28.871 -7.698 -12.032 1.00 0.00 N ATOM 0 H ASN A 23 29.015 -10.284 -9.873 1.00 0.00 H new ATOM 0 HA ASN A 23 30.543 -8.887 -8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 23 28.272 -6.999 -9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 23 29.880 -6.456 -9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.150 -7.781 -13.010 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.898 -7.849 -11.765 1.00 0.00 H new ATOM 323 N ASP A 24 30.062 -7.227 -6.687 1.00 0.00 N ATOM 324 CA ASP A 24 29.702 -6.684 -5.347 1.00 0.00 C ATOM 325 C ASP A 24 29.595 -5.130 -5.506 1.00 0.00 C ATOM 326 O ASP A 24 28.493 -4.612 -5.703 1.00 0.00 O ATOM 327 CB ASP A 24 30.655 -7.192 -4.222 1.00 0.00 C ATOM 328 CG ASP A 24 30.636 -8.695 -3.930 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.793 -9.254 -3.236 1.00 0.00 O ATOM 330 OD2 ASP A 24 31.667 -9.349 -4.531 1.00 0.00 O ATOM 0 H ASP A 24 30.774 -6.684 -7.176 1.00 0.00 H new ATOM 0 HA ASP A 24 28.737 -7.056 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.674 -6.910 -4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.407 -6.664 -3.302 1.00 0.00 H new ATOM 335 N GLY A 25 30.735 -4.414 -5.480 1.00 0.00 N ATOM 336 CA GLY A 25 30.794 -2.939 -5.662 1.00 0.00 C ATOM 337 C GLY A 25 31.447 -2.262 -4.443 1.00 0.00 C ATOM 338 O GLY A 25 32.650 -2.404 -4.215 1.00 0.00 O ATOM 0 H GLY A 25 31.650 -4.839 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 25 31.361 -2.702 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.788 -2.546 -5.806 1.00 0.00 H new ATOM 342 N VAL A 26 30.630 -1.575 -3.639 1.00 0.00 N ATOM 343 CA VAL A 26 30.963 -1.277 -2.205 1.00 0.00 C ATOM 344 C VAL A 26 30.234 -2.307 -1.269 1.00 0.00 C ATOM 345 O VAL A 26 30.889 -2.894 -0.405 1.00 0.00 O ATOM 346 CB VAL A 26 30.705 0.223 -1.814 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.105 0.556 -0.356 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.425 1.248 -2.722 1.00 0.00 C ATOM 0 H VAL A 26 29.728 -1.206 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 26 32.037 -1.404 -2.066 1.00 0.00 H new ATOM 0 HB VAL A 26 29.627 0.316 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.900 1.607 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.529 -0.065 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.168 0.360 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.194 2.258 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.502 1.085 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.087 1.123 -3.751 1.00 0.00 H new ATOM 358 N GLY A 27 28.910 -2.520 -1.421 1.00 0.00 N ATOM 359 CA GLY A 27 28.189 -3.625 -0.745 1.00 0.00 C ATOM 360 C GLY A 27 28.077 -4.963 -1.530 1.00 0.00 C ATOM 361 O GLY A 27 28.365 -4.992 -2.728 1.00 0.00 O ATOM 0 H GLY A 27 28.313 -1.938 -2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.686 -3.827 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.181 -3.282 -0.510 1.00 0.00 H new ATOM 365 N PRO A 28 27.629 -6.094 -0.918 1.00 0.00 N ATOM 366 CA PRO A 28 27.470 -7.393 -1.631 1.00 0.00 C ATOM 367 C PRO A 28 26.304 -7.480 -2.670 1.00 0.00 C ATOM 368 O PRO A 28 25.417 -6.625 -2.717 1.00 0.00 O ATOM 369 CB PRO A 28 27.258 -8.347 -0.435 1.00 0.00 C ATOM 370 CG PRO A 28 26.584 -7.495 0.634 1.00 0.00 C ATOM 371 CD PRO A 28 27.325 -6.176 0.521 1.00 0.00 C ATOM 0 HA PRO A 28 28.321 -7.610 -2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 28 26.635 -9.197 -0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.206 -8.750 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.517 -7.378 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.686 -7.934 1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.712 -5.338 0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.231 -6.168 1.127 1.00 0.00 H new ATOM 379 N HIS A 29 26.272 -8.551 -3.483 1.00 0.00 N ATOM 380 CA HIS A 29 25.164 -8.765 -4.462 1.00 0.00 C ATOM 381 C HIS A 29 23.759 -9.054 -3.817 1.00 0.00 C ATOM 382 O HIS A 29 23.626 -9.952 -2.978 1.00 0.00 O ATOM 383 CB HIS A 29 25.600 -9.776 -5.558 1.00 0.00 C ATOM 384 CG HIS A 29 25.826 -11.247 -5.196 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.048 -11.886 -5.344 1.00 0.00 N ATOM 386 CD2 HIS A 29 24.815 -12.182 -4.935 1.00 0.00 C ATOM 387 CE1 HIS A 29 26.648 -13.182 -5.149 1.00 0.00 C ATOM 388 NE2 HIS A 29 25.335 -13.464 -4.878 1.00 0.00 N ATOM 0 H HIS A 29 26.986 -9.280 -3.491 1.00 0.00 H new ATOM 0 HA HIS A 29 24.986 -7.811 -4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.845 -9.748 -6.344 1.00 0.00 H new ATOM 0 HB3 HIS A 29 26.527 -9.403 -5.993 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.772 -11.936 -4.797 1.00 0.00 H new ATOM 0 HE1 HIS A 29 27.370 -13.983 -5.209 1.00 0.00 H new ATOM 0 HE2 HIS A 29 24.876 -14.355 -4.690 1.00 0.00 H new ATOM 396 N LEU A 30 22.709 -8.291 -4.193 1.00 0.00 N ATOM 397 CA LEU A 30 21.367 -8.381 -3.527 1.00 0.00 C ATOM 398 C LEU A 30 20.283 -9.245 -4.267 1.00 0.00 C ATOM 399 O LEU A 30 19.091 -9.120 -3.967 1.00 0.00 O ATOM 400 CB LEU A 30 20.861 -6.930 -3.245 1.00 0.00 C ATOM 401 CG LEU A 30 21.622 -6.062 -2.205 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.935 -4.689 -2.059 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.739 -6.699 -0.808 1.00 0.00 C ATOM 0 H LEU A 30 22.752 -7.607 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 30 21.518 -8.935 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.864 -6.389 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.823 -7.000 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 30 22.635 -5.965 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.475 -4.088 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.936 -4.178 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.907 -4.830 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.284 -6.026 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.742 -6.877 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.274 -7.646 -0.883 1.00 0.00 H new ATOM 415 N ASN A 31 20.678 -10.152 -5.183 1.00 0.00 N ATOM 416 CA ASN A 31 19.738 -10.961 -6.021 1.00 0.00 C ATOM 417 C ASN A 31 18.874 -11.997 -5.231 1.00 0.00 C ATOM 418 O ASN A 31 19.294 -13.123 -4.957 1.00 0.00 O ATOM 419 CB ASN A 31 20.498 -11.569 -7.233 1.00 0.00 C ATOM 420 CG ASN A 31 21.783 -12.391 -7.025 1.00 0.00 C ATOM 421 OD1 ASN A 31 21.949 -13.181 -6.100 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.746 -12.222 -7.897 1.00 0.00 N ATOM 0 H ASN A 31 21.660 -10.353 -5.371 1.00 0.00 H new ATOM 0 HA ASN A 31 18.983 -10.274 -6.403 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.793 -12.206 -7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.750 -10.744 -7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.618 -12.743 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.624 -11.569 -8.671 1.00 0.00 H new ATOM 429 N GLY A 32 17.681 -11.574 -4.787 1.00 0.00 N ATOM 430 CA GLY A 32 16.922 -12.306 -3.739 1.00 0.00 C ATOM 431 C GLY A 32 17.464 -12.198 -2.296 1.00 0.00 C ATOM 432 O GLY A 32 17.542 -13.204 -1.593 1.00 0.00 O ATOM 0 H GLY A 32 17.215 -10.734 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.894 -11.944 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.890 -13.360 -4.014 1.00 0.00 H new ATOM 436 N VAL A 33 17.791 -10.979 -1.834 1.00 0.00 N ATOM 437 CA VAL A 33 18.037 -10.699 -0.379 1.00 0.00 C ATOM 438 C VAL A 33 16.804 -10.904 0.582 1.00 0.00 C ATOM 439 O VAL A 33 16.996 -11.278 1.742 1.00 0.00 O ATOM 440 CB VAL A 33 18.772 -9.329 -0.195 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.907 -8.085 -0.489 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.398 -9.182 1.210 1.00 0.00 C ATOM 0 H VAL A 33 17.895 -10.161 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 33 18.709 -11.487 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 33 19.557 -9.362 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.501 -7.184 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.560 -8.119 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.048 -8.072 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.896 -8.215 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.615 -9.249 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.125 -9.978 1.370 1.00 0.00 H new ATOM 452 N VAL A 34 15.557 -10.699 0.109 1.00 0.00 N ATOM 453 CA VAL A 34 14.316 -10.999 0.884 1.00 0.00 C ATOM 454 C VAL A 34 14.138 -12.558 0.984 1.00 0.00 C ATOM 455 O VAL A 34 13.796 -13.218 -0.002 1.00 0.00 O ATOM 456 CB VAL A 34 13.070 -10.285 0.245 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.812 -10.435 1.131 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.224 -8.771 -0.047 1.00 0.00 C ATOM 0 H VAL A 34 15.373 -10.321 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 34 14.404 -10.604 1.896 1.00 0.00 H new ATOM 0 HB VAL A 34 12.975 -10.800 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.971 -9.929 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.577 -11.492 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.000 -9.990 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.302 -8.389 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.430 -8.240 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.048 -8.617 -0.743 1.00 0.00 H new ATOM 468 N GLY A 35 14.433 -13.137 2.161 1.00 0.00 N ATOM 469 CA GLY A 35 14.650 -14.611 2.300 1.00 0.00 C ATOM 470 C GLY A 35 16.103 -15.170 2.316 1.00 0.00 C ATOM 471 O GLY A 35 16.269 -16.374 2.519 1.00 0.00 O ATOM 0 H GLY A 35 14.529 -12.619 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.167 -14.927 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.121 -15.099 1.481 1.00 0.00 H new ATOM 475 N ARG A 36 17.144 -14.341 2.130 1.00 0.00 N ATOM 476 CA ARG A 36 18.572 -14.744 2.293 1.00 0.00 C ATOM 477 C ARG A 36 19.018 -14.665 3.789 1.00 0.00 C ATOM 478 O ARG A 36 18.531 -13.808 4.533 1.00 0.00 O ATOM 479 CB ARG A 36 19.353 -13.735 1.404 1.00 0.00 C ATOM 480 CG ARG A 36 20.885 -13.900 1.238 1.00 0.00 C ATOM 481 CD ARG A 36 21.544 -12.721 0.483 1.00 0.00 C ATOM 482 NE ARG A 36 21.215 -12.672 -0.972 1.00 0.00 N ATOM 483 CZ ARG A 36 21.914 -13.242 -1.954 1.00 0.00 C ATOM 484 NH1 ARG A 36 23.003 -13.943 -1.779 1.00 0.00 N ATOM 485 NH2 ARG A 36 21.486 -13.101 -3.169 1.00 0.00 N ATOM 0 H ARG A 36 17.029 -13.364 1.860 1.00 0.00 H new ATOM 0 HA ARG A 36 18.752 -15.778 1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.910 -13.764 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.172 -12.737 1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.343 -13.995 2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 36 21.089 -14.827 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.232 -11.786 0.947 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.626 -12.788 0.598 1.00 0.00 H new ATOM 0 HE ARG A 36 20.378 -12.155 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 36 23.373 -14.085 -0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.483 -14.349 -2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 36 20.637 -12.566 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 36 21.998 -13.525 -3.943 1.00 0.00 H new ATOM 499 N THR A 37 20.001 -15.481 4.228 1.00 0.00 N ATOM 500 CA THR A 37 20.659 -15.273 5.560 1.00 0.00 C ATOM 501 C THR A 37 21.309 -13.857 5.718 1.00 0.00 C ATOM 502 O THR A 37 21.806 -13.253 4.757 1.00 0.00 O ATOM 503 CB THR A 37 21.657 -16.410 5.943 1.00 0.00 C ATOM 504 OG1 THR A 37 21.974 -16.333 7.326 1.00 0.00 O ATOM 505 CG2 THR A 37 23.013 -16.342 5.239 1.00 0.00 C ATOM 0 H THR A 37 20.359 -16.277 3.700 1.00 0.00 H new ATOM 0 HA THR A 37 19.841 -15.322 6.279 1.00 0.00 H new ATOM 0 HB THR A 37 21.138 -17.322 5.648 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.609 -15.602 7.476 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.637 -17.173 5.570 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.867 -16.405 4.161 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.503 -15.400 5.484 1.00 0.00 H new ATOM 513 N VAL A 38 21.407 -13.393 6.967 1.00 0.00 N ATOM 514 CA VAL A 38 22.284 -12.248 7.323 1.00 0.00 C ATOM 515 C VAL A 38 23.786 -12.705 7.281 1.00 0.00 C ATOM 516 O VAL A 38 24.138 -13.807 7.719 1.00 0.00 O ATOM 517 CB VAL A 38 21.826 -11.600 8.672 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.603 -10.298 8.994 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.307 -11.313 8.754 1.00 0.00 C ATOM 0 H VAL A 38 20.894 -13.785 7.757 1.00 0.00 H new ATOM 0 HA VAL A 38 22.193 -11.448 6.588 1.00 0.00 H new ATOM 0 HB VAL A 38 22.059 -12.359 9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.249 -9.887 9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.668 -10.519 9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.440 -9.571 8.199 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.073 -10.865 9.720 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.023 -10.626 7.957 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.754 -12.246 8.643 1.00 0.00 H new ATOM 529 N ALA A 39 24.627 -11.880 6.628 1.00 0.00 N ATOM 530 CA ALA A 39 25.943 -12.300 6.060 1.00 0.00 C ATOM 531 C ALA A 39 25.936 -13.318 4.858 1.00 0.00 C ATOM 532 O ALA A 39 26.899 -14.068 4.667 1.00 0.00 O ATOM 533 CB ALA A 39 26.948 -12.627 7.181 1.00 0.00 C ATOM 0 H ALA A 39 24.420 -10.893 6.473 1.00 0.00 H new ATOM 0 HA ALA A 39 26.300 -11.416 5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.898 -12.930 6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.101 -11.744 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.557 -13.439 7.795 1.00 0.00 H new ATOM 539 N GLY A 40 24.902 -13.309 3.991 1.00 0.00 N ATOM 540 CA GLY A 40 24.731 -14.358 2.946 1.00 0.00 C ATOM 541 C GLY A 40 25.255 -14.089 1.523 1.00 0.00 C ATOM 542 O GLY A 40 24.515 -14.298 0.560 1.00 0.00 O ATOM 0 H GLY A 40 24.174 -12.595 3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.215 -15.265 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 40 23.665 -14.574 2.869 1.00 0.00 H new ATOM 546 N VAL A 41 26.532 -13.705 1.382 1.00 0.00 N ATOM 547 CA VAL A 41 27.244 -13.695 0.064 1.00 0.00 C ATOM 548 C VAL A 41 28.672 -14.280 0.322 1.00 0.00 C ATOM 549 O VAL A 41 29.561 -13.584 0.823 1.00 0.00 O ATOM 550 CB VAL A 41 27.227 -12.285 -0.639 1.00 0.00 C ATOM 551 CG1 VAL A 41 28.177 -12.167 -1.856 1.00 0.00 C ATOM 552 CG2 VAL A 41 25.817 -11.898 -1.149 1.00 0.00 C ATOM 0 H VAL A 41 27.110 -13.392 2.162 1.00 0.00 H new ATOM 0 HA VAL A 41 26.726 -14.320 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 41 27.565 -11.614 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.103 -11.165 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.203 -12.351 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.895 -12.902 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 41 25.859 -10.918 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 41 25.476 -12.639 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.123 -11.864 -0.309 1.00 0.00 H new ATOM 562 N ASP A 42 28.896 -15.554 -0.057 1.00 0.00 N ATOM 563 CA ASP A 42 30.227 -16.219 0.060 1.00 0.00 C ATOM 564 C ASP A 42 31.228 -15.656 -1.002 1.00 0.00 C ATOM 565 O ASP A 42 31.061 -15.860 -2.209 1.00 0.00 O ATOM 566 CB ASP A 42 30.056 -17.755 -0.081 1.00 0.00 C ATOM 567 CG ASP A 42 29.336 -18.438 1.083 1.00 0.00 C ATOM 568 OD1 ASP A 42 29.896 -18.801 2.111 1.00 0.00 O ATOM 569 OD2 ASP A 42 28.003 -18.592 0.852 1.00 0.00 O ATOM 0 H ASP A 42 28.171 -16.154 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 42 30.647 -16.005 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 42 29.506 -17.961 -0.999 1.00 0.00 H new ATOM 0 HB3 ASP A 42 31.042 -18.206 -0.193 1.00 0.00 H new ATOM 574 N GLY A 43 32.221 -14.883 -0.537 1.00 0.00 N ATOM 575 CA GLY A 43 32.970 -13.938 -1.413 1.00 0.00 C ATOM 576 C GLY A 43 33.188 -12.534 -0.806 1.00 0.00 C ATOM 577 O GLY A 43 34.311 -12.028 -0.835 1.00 0.00 O ATOM 0 H GLY A 43 32.531 -14.885 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.942 -14.373 -1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.432 -13.833 -2.355 1.00 0.00 H new ATOM 581 N PHE A 44 32.127 -11.898 -0.276 1.00 0.00 N ATOM 582 CA PHE A 44 32.241 -10.594 0.428 1.00 0.00 C ATOM 583 C PHE A 44 32.726 -10.760 1.912 1.00 0.00 C ATOM 584 O PHE A 44 32.216 -11.598 2.665 1.00 0.00 O ATOM 585 CB PHE A 44 30.855 -9.894 0.316 1.00 0.00 C ATOM 586 CG PHE A 44 30.854 -8.427 0.775 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.180 -7.402 -0.118 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.609 -8.115 2.116 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.287 -6.088 0.332 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.738 -6.807 2.567 1.00 0.00 C ATOM 591 CZ PHE A 44 31.074 -5.793 1.677 1.00 0.00 C ATOM 0 H PHE A 44 31.175 -12.262 -0.319 1.00 0.00 H new ATOM 0 HA PHE A 44 33.007 -9.973 -0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.520 -9.940 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.130 -10.450 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.349 -7.630 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.318 -8.895 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.535 -5.298 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.577 -6.578 3.610 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.170 -4.776 2.028 1.00 0.00 H new ATOM 601 N ASN A 45 33.672 -9.905 2.347 1.00 0.00 N ATOM 602 CA ASN A 45 34.129 -9.861 3.763 1.00 0.00 C ATOM 603 C ASN A 45 33.145 -9.027 4.653 1.00 0.00 C ATOM 604 O ASN A 45 33.199 -7.793 4.686 1.00 0.00 O ATOM 605 CB ASN A 45 35.585 -9.319 3.778 1.00 0.00 C ATOM 606 CG ASN A 45 36.329 -9.512 5.104 1.00 0.00 C ATOM 607 OD1 ASN A 45 37.035 -10.492 5.310 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.197 -8.611 6.048 1.00 0.00 N ATOM 0 H ASN A 45 34.140 -9.231 1.741 1.00 0.00 H new ATOM 0 HA ASN A 45 34.126 -10.859 4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.149 -9.811 2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.564 -8.255 3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.679 -8.731 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 45 35.613 -7.790 5.891 1.00 0.00 H new ATOM 615 N TYR A 46 32.264 -9.721 5.387 1.00 0.00 N ATOM 616 CA TYR A 46 31.286 -9.076 6.310 1.00 0.00 C ATOM 617 C TYR A 46 31.868 -8.753 7.732 1.00 0.00 C ATOM 618 O TYR A 46 32.930 -9.252 8.122 1.00 0.00 O ATOM 619 CB TYR A 46 30.058 -10.027 6.420 1.00 0.00 C ATOM 620 CG TYR A 46 29.122 -10.087 5.204 1.00 0.00 C ATOM 621 CD1 TYR A 46 28.097 -9.146 5.061 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.243 -11.118 4.268 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.187 -9.254 4.014 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.336 -11.219 3.217 1.00 0.00 C ATOM 625 CZ TYR A 46 27.293 -10.303 3.105 1.00 0.00 C ATOM 626 OH TYR A 46 26.324 -10.477 2.154 1.00 0.00 O ATOM 0 H TYR A 46 32.199 -10.739 5.367 1.00 0.00 H new ATOM 0 HA TYR A 46 31.011 -8.106 5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.424 -11.034 6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.471 -9.726 7.287 1.00 0.00 H new ATOM 0 HD1 TYR A 46 28.012 -8.332 5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.042 -11.838 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.398 -8.524 3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.441 -12.009 2.488 1.00 0.00 H new ATOM 0 HH TYR A 46 25.914 -11.361 2.262 1.00 0.00 H new ATOM 636 N SER A 47 31.145 -7.943 8.538 1.00 0.00 N ATOM 637 CA SER A 47 31.516 -7.706 9.963 1.00 0.00 C ATOM 638 C SER A 47 31.170 -8.894 10.931 1.00 0.00 C ATOM 639 O SER A 47 30.365 -9.782 10.621 1.00 0.00 O ATOM 640 CB SER A 47 30.918 -6.343 10.404 1.00 0.00 C ATOM 641 OG SER A 47 29.512 -6.383 10.653 1.00 0.00 O ATOM 0 H SER A 47 30.308 -7.444 8.236 1.00 0.00 H new ATOM 0 HA SER A 47 32.603 -7.659 10.033 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.428 -6.008 11.307 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.120 -5.601 9.631 1.00 0.00 H new ATOM 0 HG SER A 47 29.295 -5.786 11.399 1.00 0.00 H new ATOM 647 N ASP A 48 31.772 -8.892 12.136 1.00 0.00 N ATOM 648 CA ASP A 48 31.467 -9.892 13.205 1.00 0.00 C ATOM 649 C ASP A 48 29.969 -9.931 13.697 1.00 0.00 C ATOM 650 O ASP A 48 29.428 -11.041 13.696 1.00 0.00 O ATOM 651 CB ASP A 48 32.464 -9.739 14.387 1.00 0.00 C ATOM 652 CG ASP A 48 33.921 -10.069 14.062 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.398 -11.196 14.130 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.629 -8.968 13.686 1.00 0.00 O ATOM 0 H ASP A 48 32.479 -8.208 12.405 1.00 0.00 H new ATOM 0 HA ASP A 48 31.604 -10.866 12.736 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.414 -8.713 14.752 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.136 -10.384 15.203 1.00 0.00 H new ATOM 659 N PRO A 49 29.237 -8.832 14.072 1.00 0.00 N ATOM 660 CA PRO A 49 27.767 -8.895 14.331 1.00 0.00 C ATOM 661 C PRO A 49 26.836 -9.167 13.098 1.00 0.00 C ATOM 662 O PRO A 49 25.738 -9.696 13.283 1.00 0.00 O ATOM 663 CB PRO A 49 27.515 -7.552 15.038 1.00 0.00 C ATOM 664 CG PRO A 49 28.547 -6.600 14.440 1.00 0.00 C ATOM 665 CD PRO A 49 29.770 -7.458 14.138 1.00 0.00 C ATOM 0 HA PRO A 49 27.499 -9.771 14.921 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.500 -7.196 14.862 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.639 -7.643 16.117 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.166 -6.128 13.534 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.792 -5.799 15.138 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.239 -7.167 13.198 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.527 -7.361 14.916 1.00 0.00 H new ATOM 673 N MET A 50 27.275 -8.885 11.853 1.00 0.00 N ATOM 674 CA MET A 50 26.695 -9.494 10.625 1.00 0.00 C ATOM 675 C MET A 50 26.719 -11.063 10.605 1.00 0.00 C ATOM 676 O MET A 50 25.667 -11.694 10.474 1.00 0.00 O ATOM 677 CB MET A 50 27.455 -8.882 9.407 1.00 0.00 C ATOM 678 CG MET A 50 26.673 -7.865 8.576 1.00 0.00 C ATOM 679 SD MET A 50 25.204 -8.625 7.890 1.00 0.00 S ATOM 680 CE MET A 50 24.479 -7.122 7.249 1.00 0.00 C ATOM 0 H MET A 50 28.037 -8.233 11.665 1.00 0.00 H new ATOM 0 HA MET A 50 25.632 -9.257 10.587 1.00 0.00 H new ATOM 0 HB2 MET A 50 28.363 -8.402 9.773 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.767 -9.695 8.752 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.394 -7.014 9.198 1.00 0.00 H new ATOM 0 HG3 MET A 50 27.301 -7.481 7.773 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.531 -7.353 6.764 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.307 -6.423 8.068 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.157 -6.672 6.524 1.00 0.00 H new ATOM 690 N LYS A 51 27.912 -11.676 10.750 1.00 0.00 N ATOM 691 CA LYS A 51 28.070 -13.156 10.848 1.00 0.00 C ATOM 692 C LYS A 51 27.414 -13.816 12.110 1.00 0.00 C ATOM 693 O LYS A 51 26.759 -14.852 11.971 1.00 0.00 O ATOM 694 CB LYS A 51 29.589 -13.491 10.751 1.00 0.00 C ATOM 695 CG LYS A 51 30.263 -13.293 9.370 1.00 0.00 C ATOM 696 CD LYS A 51 30.010 -14.457 8.383 1.00 0.00 C ATOM 697 CE LYS A 51 30.600 -14.268 6.973 1.00 0.00 C ATOM 698 NZ LYS A 51 32.077 -14.338 6.969 1.00 0.00 N ATOM 0 H LYS A 51 28.795 -11.168 10.803 1.00 0.00 H new ATOM 0 HA LYS A 51 27.517 -13.594 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.119 -12.876 11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.727 -14.530 11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.898 -12.366 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 51 31.337 -13.176 9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 51 30.423 -15.370 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 51 28.934 -14.606 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 51 30.200 -15.034 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 51 30.283 -13.304 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 32.428 -14.205 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 32.462 -13.591 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 32.381 -15.267 7.323 1.00 0.00 H new ATOM 711 N ALA A 52 27.549 -13.221 13.314 1.00 0.00 N ATOM 712 CA ALA A 52 26.814 -13.671 14.530 1.00 0.00 C ATOM 713 C ALA A 52 25.250 -13.535 14.549 1.00 0.00 C ATOM 714 O ALA A 52 24.607 -14.257 15.314 1.00 0.00 O ATOM 715 CB ALA A 52 27.460 -12.945 15.724 1.00 0.00 C ATOM 0 H ALA A 52 28.162 -12.423 13.477 1.00 0.00 H new ATOM 0 HA ALA A 52 26.919 -14.755 14.566 1.00 0.00 H new ATOM 0 HB1 ALA A 52 26.957 -13.240 16.645 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.515 -13.213 15.785 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.366 -11.868 15.589 1.00 0.00 H new ATOM 721 N HIS A 53 24.629 -12.675 13.713 1.00 0.00 N ATOM 722 CA HIS A 53 23.158 -12.711 13.455 1.00 0.00 C ATOM 723 C HIS A 53 22.706 -14.024 12.719 1.00 0.00 C ATOM 724 O HIS A 53 21.939 -14.801 13.295 1.00 0.00 O ATOM 725 CB HIS A 53 22.754 -11.379 12.750 1.00 0.00 C ATOM 726 CG HIS A 53 21.254 -11.049 12.640 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.256 -11.950 12.281 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.704 -9.759 12.787 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.177 -11.107 12.265 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.343 -9.778 12.545 1.00 0.00 N ATOM 0 H HIS A 53 25.119 -11.942 13.200 1.00 0.00 H new ATOM 0 HA HIS A 53 22.607 -12.764 14.394 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.239 -10.559 13.280 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.168 -11.395 11.742 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.268 -8.877 13.052 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.195 -11.491 12.031 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.660 -9.021 12.568 1.00 0.00 H new ATOM 738 N GLY A 54 23.156 -14.271 11.470 1.00 0.00 N ATOM 739 CA GLY A 54 22.711 -15.452 10.679 1.00 0.00 C ATOM 740 C GLY A 54 21.225 -15.408 10.252 1.00 0.00 C ATOM 741 O GLY A 54 20.783 -14.429 9.651 1.00 0.00 O ATOM 0 H GLY A 54 23.825 -13.674 10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.331 -15.532 9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.882 -16.354 11.267 1.00 0.00 H new ATOM 745 N GLY A 55 20.447 -16.460 10.548 1.00 0.00 N ATOM 746 CA GLY A 55 18.959 -16.421 10.428 1.00 0.00 C ATOM 747 C GLY A 55 18.391 -16.073 9.034 1.00 0.00 C ATOM 748 O GLY A 55 18.654 -16.800 8.074 1.00 0.00 O ATOM 0 H GLY A 55 20.812 -17.355 10.874 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.567 -17.394 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.578 -15.693 11.144 1.00 0.00 H new ATOM 752 N ASP A 56 17.647 -14.955 8.921 1.00 0.00 N ATOM 753 CA ASP A 56 17.206 -14.423 7.604 1.00 0.00 C ATOM 754 C ASP A 56 16.943 -12.886 7.584 1.00 0.00 C ATOM 755 O ASP A 56 16.446 -12.287 8.544 1.00 0.00 O ATOM 756 CB ASP A 56 15.914 -15.142 7.105 1.00 0.00 C ATOM 757 CG ASP A 56 16.082 -16.523 6.485 1.00 0.00 C ATOM 758 OD1 ASP A 56 16.849 -16.490 5.362 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.559 -17.540 6.926 1.00 0.00 O ATOM 0 H ASP A 56 17.337 -14.400 9.719 1.00 0.00 H new ATOM 0 HA ASP A 56 18.047 -14.624 6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.230 -15.231 7.949 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.431 -14.498 6.370 1.00 0.00 H new ATOM 764 N TRP A 57 17.135 -12.295 6.389 1.00 0.00 N ATOM 765 CA TRP A 57 16.490 -11.016 6.003 1.00 0.00 C ATOM 766 C TRP A 57 15.032 -11.226 5.484 1.00 0.00 C ATOM 767 O TRP A 57 14.769 -11.318 4.283 1.00 0.00 O ATOM 768 CB TRP A 57 17.389 -10.263 4.977 1.00 0.00 C ATOM 769 CG TRP A 57 18.582 -9.487 5.552 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.917 -9.641 5.124 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.634 -8.629 6.647 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.809 -8.922 5.946 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.996 -8.349 6.909 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.626 -8.183 7.550 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.366 -7.742 8.131 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.017 -7.572 8.737 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.368 -7.379 9.035 1.00 0.00 C ATOM 0 H TRP A 57 17.738 -12.685 5.664 1.00 0.00 H new ATOM 0 HA TRP A 57 16.395 -10.392 6.891 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.769 -10.989 4.259 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.763 -9.564 4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.218 -10.235 4.274 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.822 -8.842 5.852 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.580 -8.317 7.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.406 -7.562 8.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.265 -7.242 9.438 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.645 -6.941 9.983 1.00 0.00 H new ATOM 788 N THR A 58 14.076 -11.261 6.422 1.00 0.00 N ATOM 789 CA THR A 58 12.616 -11.333 6.119 1.00 0.00 C ATOM 790 C THR A 58 12.018 -9.970 5.596 1.00 0.00 C ATOM 791 O THR A 58 12.588 -8.913 5.905 1.00 0.00 O ATOM 792 CB THR A 58 11.853 -11.815 7.402 1.00 0.00 C ATOM 793 OG1 THR A 58 12.041 -10.923 8.496 1.00 0.00 O ATOM 794 CG2 THR A 58 12.213 -13.226 7.899 1.00 0.00 C ATOM 0 H THR A 58 14.281 -11.241 7.421 1.00 0.00 H new ATOM 0 HA THR A 58 12.483 -12.047 5.306 1.00 0.00 H new ATOM 0 HB THR A 58 10.815 -11.835 7.069 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.550 -11.255 9.277 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.629 -13.458 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.991 -13.954 7.119 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.275 -13.267 8.141 1.00 0.00 H new ATOM 802 N PRO A 59 10.834 -9.899 4.903 1.00 0.00 N ATOM 803 CA PRO A 59 10.140 -8.596 4.616 1.00 0.00 C ATOM 804 C PRO A 59 9.529 -7.775 5.822 1.00 0.00 C ATOM 805 O PRO A 59 8.649 -6.931 5.638 1.00 0.00 O ATOM 806 CB PRO A 59 9.089 -9.054 3.580 1.00 0.00 C ATOM 807 CG PRO A 59 8.764 -10.504 3.935 1.00 0.00 C ATOM 808 CD PRO A 59 10.098 -11.082 4.402 1.00 0.00 C ATOM 0 HA PRO A 59 10.851 -7.840 4.284 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.196 -8.430 3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.480 -8.977 2.565 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.008 -10.563 4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.374 -11.047 3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.960 -11.829 5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.631 -11.570 3.586 1.00 0.00 H new ATOM 816 N GLU A 60 10.064 -7.987 7.032 1.00 0.00 N ATOM 817 CA GLU A 60 9.811 -7.177 8.255 1.00 0.00 C ATOM 818 C GLU A 60 11.157 -6.820 8.981 1.00 0.00 C ATOM 819 O GLU A 60 11.360 -5.654 9.332 1.00 0.00 O ATOM 820 CB GLU A 60 8.784 -7.919 9.156 1.00 0.00 C ATOM 821 CG GLU A 60 8.230 -7.109 10.357 1.00 0.00 C ATOM 822 CD GLU A 60 7.305 -5.949 9.984 1.00 0.00 C ATOM 823 OE1 GLU A 60 7.981 -4.783 9.792 1.00 0.00 O ATOM 824 OE2 GLU A 60 6.088 -6.054 9.872 1.00 0.00 O ATOM 0 H GLU A 60 10.712 -8.756 7.204 1.00 0.00 H new ATOM 0 HA GLU A 60 9.368 -6.217 7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.945 -8.232 8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.253 -8.825 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.688 -7.788 11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.070 -6.714 10.928 1.00 0.00 H new ATOM 831 N ALA A 61 12.109 -7.769 9.153 1.00 0.00 N ATOM 832 CA ALA A 61 13.524 -7.452 9.501 1.00 0.00 C ATOM 833 C ALA A 61 14.255 -6.443 8.550 1.00 0.00 C ATOM 834 O ALA A 61 14.858 -5.491 9.050 1.00 0.00 O ATOM 835 CB ALA A 61 14.273 -8.792 9.625 1.00 0.00 C ATOM 0 H ALA A 61 11.925 -8.768 9.057 1.00 0.00 H new ATOM 0 HA ALA A 61 13.519 -6.907 10.445 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.316 -8.604 9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.812 -9.396 10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.222 -9.326 8.676 1.00 0.00 H new ATOM 841 N LEU A 62 14.134 -6.575 7.210 1.00 0.00 N ATOM 842 CA LEU A 62 14.499 -5.482 6.254 1.00 0.00 C ATOM 843 C LEU A 62 13.700 -4.142 6.391 1.00 0.00 C ATOM 844 O LEU A 62 14.281 -3.087 6.147 1.00 0.00 O ATOM 845 CB LEU A 62 14.405 -5.977 4.787 1.00 0.00 C ATOM 846 CG LEU A 62 15.384 -7.090 4.337 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.953 -7.661 2.981 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.822 -6.554 4.226 1.00 0.00 C ATOM 0 H LEU A 62 13.788 -7.421 6.758 1.00 0.00 H new ATOM 0 HA LEU A 62 15.525 -5.238 6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.390 -6.336 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.552 -5.117 4.133 1.00 0.00 H new ATOM 0 HG LEU A 62 15.360 -7.876 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.650 -8.442 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.951 -8.081 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.951 -6.866 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.486 -7.358 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.854 -5.746 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.146 -6.178 5.196 1.00 0.00 H new ATOM 860 N GLN A 63 12.409 -4.145 6.778 1.00 0.00 N ATOM 861 CA GLN A 63 11.647 -2.886 7.063 1.00 0.00 C ATOM 862 C GLN A 63 12.173 -2.031 8.268 1.00 0.00 C ATOM 863 O GLN A 63 12.124 -0.797 8.192 1.00 0.00 O ATOM 864 CB GLN A 63 10.138 -3.198 7.293 1.00 0.00 C ATOM 865 CG GLN A 63 9.329 -3.832 6.133 1.00 0.00 C ATOM 866 CD GLN A 63 8.809 -2.893 5.039 1.00 0.00 C ATOM 867 OE1 GLN A 63 8.832 -1.670 5.121 1.00 0.00 O ATOM 868 NE2 GLN A 63 8.276 -3.451 3.982 1.00 0.00 N ATOM 0 H GLN A 63 11.862 -4.997 6.904 1.00 0.00 H new ATOM 0 HA GLN A 63 11.800 -2.278 6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.065 -3.865 8.152 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.645 -2.266 7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.956 -4.587 5.659 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.474 -4.353 6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.250 -4.467 3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.887 -2.870 3.240 1.00 0.00 H new ATOM 877 N GLU A 64 12.658 -2.660 9.361 1.00 0.00 N ATOM 878 CA GLU A 64 13.436 -1.958 10.412 1.00 0.00 C ATOM 879 C GLU A 64 14.940 -1.754 10.025 1.00 0.00 C ATOM 880 O GLU A 64 15.425 -0.640 10.199 1.00 0.00 O ATOM 881 CB GLU A 64 13.203 -2.691 11.760 1.00 0.00 C ATOM 882 CG GLU A 64 13.560 -1.840 13.006 1.00 0.00 C ATOM 883 CD GLU A 64 13.351 -2.559 14.338 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.029 -2.662 14.665 1.00 0.00 O ATOM 885 OE2 GLU A 64 14.271 -2.983 15.030 1.00 0.00 O ATOM 0 H GLU A 64 12.525 -3.655 9.541 1.00 0.00 H new ATOM 0 HA GLU A 64 13.077 -0.935 10.521 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.157 -2.990 11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.797 -3.605 11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.602 -1.530 12.933 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.956 -0.933 12.997 1.00 0.00 H new ATOM 892 N PHE A 65 15.671 -2.751 9.475 1.00 0.00 N ATOM 893 CA PHE A 65 17.081 -2.574 9.000 1.00 0.00 C ATOM 894 C PHE A 65 17.300 -1.525 7.869 1.00 0.00 C ATOM 895 O PHE A 65 18.266 -0.772 7.952 1.00 0.00 O ATOM 896 CB PHE A 65 17.628 -3.968 8.607 1.00 0.00 C ATOM 897 CG PHE A 65 19.096 -4.074 8.146 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.149 -3.986 9.064 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.376 -4.414 6.818 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.450 -4.289 8.673 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.676 -4.734 6.437 1.00 0.00 C ATOM 902 CZ PHE A 65 21.705 -4.706 7.371 1.00 0.00 C ATOM 0 H PHE A 65 15.312 -3.697 9.345 1.00 0.00 H new ATOM 0 HA PHE A 65 17.641 -2.142 9.830 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.500 -4.629 9.464 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.999 -4.358 7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 65 19.951 -3.681 10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.581 -4.428 6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.261 -4.200 9.380 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.886 -5.005 5.413 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.702 -5.008 7.086 1.00 0.00 H new ATOM 912 N LEU A 66 16.439 -1.423 6.843 1.00 0.00 N ATOM 913 CA LEU A 66 16.513 -0.287 5.874 1.00 0.00 C ATOM 914 C LEU A 66 16.234 1.158 6.424 1.00 0.00 C ATOM 915 O LEU A 66 16.713 2.125 5.828 1.00 0.00 O ATOM 916 CB LEU A 66 15.683 -0.666 4.616 1.00 0.00 C ATOM 917 CG LEU A 66 16.242 -1.829 3.742 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.371 -2.027 2.489 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.715 -1.628 3.331 1.00 0.00 C ATOM 0 H LEU A 66 15.693 -2.093 6.654 1.00 0.00 H new ATOM 0 HA LEU A 66 17.565 -0.171 5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.677 -0.934 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.591 0.220 3.988 1.00 0.00 H new ATOM 0 HG LEU A 66 16.206 -2.723 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.775 -2.843 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.351 -2.268 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.368 -1.110 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.042 -2.473 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.809 -0.708 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.336 -1.561 4.224 1.00 0.00 H new ATOM 931 N THR A 67 15.544 1.312 7.564 1.00 0.00 N ATOM 932 CA THR A 67 15.498 2.589 8.357 1.00 0.00 C ATOM 933 C THR A 67 16.554 2.722 9.510 1.00 0.00 C ATOM 934 O THR A 67 16.908 3.841 9.883 1.00 0.00 O ATOM 935 CB THR A 67 14.025 2.780 8.808 1.00 0.00 C ATOM 936 OG1 THR A 67 13.238 2.957 7.645 1.00 0.00 O ATOM 937 CG2 THR A 67 13.687 4.009 9.657 1.00 0.00 C ATOM 0 H THR A 67 14.993 0.561 7.979 1.00 0.00 H new ATOM 0 HA THR A 67 15.813 3.413 7.717 1.00 0.00 H new ATOM 0 HB THR A 67 13.836 1.898 9.420 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.663 3.619 7.060 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.623 4.006 9.894 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.265 3.983 10.581 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.932 4.914 9.101 1.00 0.00 H new ATOM 945 N ASN A 68 17.051 1.615 10.076 1.00 0.00 N ATOM 946 CA ASN A 68 18.007 1.578 11.202 1.00 0.00 C ATOM 947 C ASN A 68 19.110 0.480 10.914 1.00 0.00 C ATOM 948 O ASN A 68 19.134 -0.531 11.629 1.00 0.00 O ATOM 949 CB ASN A 68 17.103 1.319 12.457 1.00 0.00 C ATOM 950 CG ASN A 68 16.730 2.582 13.236 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.538 3.167 13.946 1.00 0.00 O ATOM 952 ND2 ASN A 68 15.507 3.043 13.142 1.00 0.00 N ATOM 0 H ASN A 68 16.792 0.683 9.754 1.00 0.00 H new ATOM 0 HA ASN A 68 18.583 2.490 11.359 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.188 0.822 12.135 1.00 0.00 H new ATOM 0 HB3 ASN A 68 17.620 0.632 13.127 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.237 3.881 13.657 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.825 2.564 12.554 1.00 0.00 H new ATOM 959 N PRO A 69 20.067 0.614 9.930 1.00 0.00 N ATOM 960 CA PRO A 69 21.100 -0.426 9.643 1.00 0.00 C ATOM 961 C PRO A 69 22.047 -0.772 10.826 1.00 0.00 C ATOM 962 O PRO A 69 22.111 -1.921 11.268 1.00 0.00 O ATOM 963 CB PRO A 69 21.838 0.104 8.387 1.00 0.00 C ATOM 964 CG PRO A 69 20.897 1.120 7.745 1.00 0.00 C ATOM 965 CD PRO A 69 20.040 1.655 8.887 1.00 0.00 C ATOM 0 HA PRO A 69 20.632 -1.396 9.473 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.787 0.567 8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.066 -0.708 7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.455 1.923 7.263 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.281 0.654 6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.436 2.598 9.265 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.020 1.848 8.554 1.00 0.00 H new ATOM 973 N LYS A 70 22.701 0.265 11.369 1.00 0.00 N ATOM 974 CA LYS A 70 23.519 0.185 12.618 1.00 0.00 C ATOM 975 C LYS A 70 22.750 0.088 13.985 1.00 0.00 C ATOM 976 O LYS A 70 23.365 0.167 15.049 1.00 0.00 O ATOM 977 CB LYS A 70 24.465 1.419 12.627 1.00 0.00 C ATOM 978 CG LYS A 70 25.453 1.455 11.448 1.00 0.00 C ATOM 979 CD LYS A 70 26.525 2.557 11.573 1.00 0.00 C ATOM 980 CE LYS A 70 27.442 2.702 10.345 1.00 0.00 C ATOM 981 NZ LYS A 70 28.529 1.701 10.341 1.00 0.00 N ATOM 0 H LYS A 70 22.685 1.199 10.959 1.00 0.00 H new ATOM 0 HA LYS A 70 24.040 -0.771 12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 70 23.862 2.327 12.611 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.028 1.426 13.560 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.947 0.487 11.369 1.00 0.00 H new ATOM 0 HG3 LYS A 70 24.896 1.605 10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 70 26.028 3.510 11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 70 27.141 2.348 12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.849 2.596 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.872 3.703 10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 29.282 2.009 9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.916 1.605 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.155 0.783 10.026 1.00 0.00 H new ATOM 994 N ALA A 71 21.427 -0.096 13.950 1.00 0.00 N ATOM 995 CA ALA A 71 20.576 -0.390 15.133 1.00 0.00 C ATOM 996 C ALA A 71 19.944 -1.824 15.122 1.00 0.00 C ATOM 997 O ALA A 71 19.918 -2.458 16.180 1.00 0.00 O ATOM 998 CB ALA A 71 19.569 0.770 15.239 1.00 0.00 C ATOM 0 H ALA A 71 20.894 -0.046 13.082 1.00 0.00 H new ATOM 0 HA ALA A 71 21.176 -0.435 16.042 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.914 0.607 16.095 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.108 1.709 15.368 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.971 0.817 14.329 1.00 0.00 H new ATOM 1004 N VAL A 72 19.488 -2.378 13.973 1.00 0.00 N ATOM 1005 CA VAL A 72 19.194 -3.845 13.841 1.00 0.00 C ATOM 1006 C VAL A 72 20.511 -4.710 13.841 1.00 0.00 C ATOM 1007 O VAL A 72 20.593 -5.663 14.619 1.00 0.00 O ATOM 1008 CB VAL A 72 18.227 -4.119 12.632 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.020 -5.619 12.308 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.813 -3.519 12.798 1.00 0.00 C ATOM 0 H VAL A 72 19.313 -1.843 13.122 1.00 0.00 H new ATOM 0 HA VAL A 72 18.652 -4.175 14.727 1.00 0.00 H new ATOM 0 HB VAL A 72 18.756 -3.624 11.818 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.340 -5.718 11.462 1.00 0.00 H new ATOM 0 HG12 VAL A 72 18.979 -6.073 12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.595 -6.123 13.176 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.212 -3.755 11.920 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.340 -3.941 13.685 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.887 -2.437 12.907 1.00 0.00 H new ATOM 1020 N VAL A 73 21.524 -4.397 13.004 1.00 0.00 N ATOM 1021 CA VAL A 73 22.893 -4.993 13.143 1.00 0.00 C ATOM 1022 C VAL A 73 23.829 -3.861 13.675 1.00 0.00 C ATOM 1023 O VAL A 73 24.372 -3.073 12.893 1.00 0.00 O ATOM 1024 CB VAL A 73 23.436 -5.618 11.811 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.843 -6.241 11.967 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.546 -6.714 11.191 1.00 0.00 C ATOM 0 H VAL A 73 21.432 -3.742 12.228 1.00 0.00 H new ATOM 0 HA VAL A 73 22.855 -5.831 13.839 1.00 0.00 H new ATOM 0 HB VAL A 73 23.453 -4.753 11.148 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.165 -6.657 11.012 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.548 -5.473 12.284 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.809 -7.033 12.715 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.007 -7.082 10.275 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.436 -7.537 11.898 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.564 -6.299 10.962 1.00 0.00 H new ATOM 1036 N LYS A 74 24.062 -3.800 14.996 1.00 0.00 N ATOM 1037 CA LYS A 74 24.979 -2.789 15.600 1.00 0.00 C ATOM 1038 C LYS A 74 26.471 -3.151 15.315 1.00 0.00 C ATOM 1039 O LYS A 74 26.995 -4.157 15.800 1.00 0.00 O ATOM 1040 CB LYS A 74 24.711 -2.683 17.125 1.00 0.00 C ATOM 1041 CG LYS A 74 23.332 -2.114 17.528 1.00 0.00 C ATOM 1042 CD LYS A 74 23.151 -2.054 19.051 1.00 0.00 C ATOM 1043 CE LYS A 74 21.763 -1.522 19.441 1.00 0.00 C ATOM 1044 NZ LYS A 74 21.628 -1.496 20.910 1.00 0.00 N ATOM 0 H LYS A 74 23.635 -4.432 15.674 1.00 0.00 H new ATOM 0 HA LYS A 74 24.785 -1.818 15.144 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.815 -3.676 17.563 1.00 0.00 H new ATOM 0 HB3 LYS A 74 25.485 -2.056 17.568 1.00 0.00 H new ATOM 0 HG2 LYS A 74 23.218 -1.113 17.111 1.00 0.00 H new ATOM 0 HG3 LYS A 74 22.545 -2.732 17.095 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.290 -3.049 19.473 1.00 0.00 H new ATOM 0 HD3 LYS A 74 23.920 -1.414 19.483 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.622 -0.520 19.037 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.987 -2.153 19.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.687 -1.135 21.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.744 -2.459 21.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.358 -0.876 21.315 1.00 0.00 H new ATOM 1057 N GLY A 75 27.117 -2.339 14.468 1.00 0.00 N ATOM 1058 CA GLY A 75 28.376 -2.737 13.777 1.00 0.00 C ATOM 1059 C GLY A 75 28.246 -3.434 12.395 1.00 0.00 C ATOM 1060 O GLY A 75 29.068 -4.294 12.063 1.00 0.00 O ATOM 0 H GLY A 75 26.797 -1.398 14.237 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.985 -1.843 13.647 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.927 -3.404 14.440 1.00 0.00 H new ATOM 1064 N THR A 76 27.289 -3.020 11.547 1.00 0.00 N ATOM 1065 CA THR A 76 27.324 -3.287 10.087 1.00 0.00 C ATOM 1066 C THR A 76 28.304 -2.287 9.404 1.00 0.00 C ATOM 1067 O THR A 76 28.218 -1.073 9.623 1.00 0.00 O ATOM 1068 CB THR A 76 25.873 -3.235 9.512 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.865 -3.743 8.185 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.145 -1.884 9.459 1.00 0.00 C ATOM 0 H THR A 76 26.469 -2.492 11.847 1.00 0.00 H new ATOM 0 HA THR A 76 27.703 -4.288 9.880 1.00 0.00 H new ATOM 0 HB THR A 76 25.326 -3.830 10.243 1.00 0.00 H new ATOM 0 HG1 THR A 76 26.692 -4.243 8.021 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.151 -2.023 9.034 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.055 -1.479 10.467 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.711 -1.190 8.838 1.00 0.00 H new ATOM 1078 N LYS A 77 29.192 -2.768 8.523 1.00 0.00 N ATOM 1079 CA LYS A 77 29.996 -1.868 7.632 1.00 0.00 C ATOM 1080 C LYS A 77 29.205 -1.179 6.450 1.00 0.00 C ATOM 1081 O LYS A 77 29.814 -0.721 5.479 1.00 0.00 O ATOM 1082 CB LYS A 77 31.236 -2.679 7.147 1.00 0.00 C ATOM 1083 CG LYS A 77 32.333 -2.919 8.214 1.00 0.00 C ATOM 1084 CD LYS A 77 33.608 -3.600 7.674 1.00 0.00 C ATOM 1085 CE LYS A 77 33.441 -5.086 7.311 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.720 -5.624 6.811 1.00 0.00 N ATOM 0 H LYS A 77 29.383 -3.762 8.396 1.00 0.00 H new ATOM 0 HA LYS A 77 30.301 -1.003 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.894 -3.646 6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.683 -2.155 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.607 -1.962 8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 77 31.918 -3.534 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 77 33.945 -3.060 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 77 34.396 -3.509 8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 77 33.116 -5.649 8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 77 32.666 -5.200 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.568 -6.078 5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.406 -4.849 6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 35.089 -6.325 7.485 1.00 0.00 H new ATOM 1099 N MET A 78 27.865 -1.041 6.548 1.00 0.00 N ATOM 1100 CA MET A 78 27.033 -0.341 5.540 1.00 0.00 C ATOM 1101 C MET A 78 26.983 1.181 5.875 1.00 0.00 C ATOM 1102 O MET A 78 26.319 1.597 6.832 1.00 0.00 O ATOM 1103 CB MET A 78 25.648 -1.055 5.459 1.00 0.00 C ATOM 1104 CG MET A 78 24.631 -0.362 4.524 1.00 0.00 C ATOM 1105 SD MET A 78 23.473 -1.495 3.641 1.00 0.00 S ATOM 1106 CE MET A 78 21.935 -0.603 4.103 1.00 0.00 C ATOM 0 H MET A 78 27.326 -1.413 7.330 1.00 0.00 H new ATOM 0 HA MET A 78 27.459 -0.396 4.538 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.799 -2.079 5.117 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.223 -1.113 6.461 1.00 0.00 H new ATOM 0 HG2 MET A 78 24.045 0.344 5.112 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.181 0.219 3.783 1.00 0.00 H new ATOM 0 HE1 MET A 78 21.074 -1.115 3.672 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.839 -0.582 5.189 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.978 0.418 3.723 1.00 0.00 H new ATOM 1116 N ALA A 79 27.658 2.015 5.057 1.00 0.00 N ATOM 1117 CA ALA A 79 27.623 3.497 5.208 1.00 0.00 C ATOM 1118 C ALA A 79 26.305 4.156 4.666 1.00 0.00 C ATOM 1119 O ALA A 79 26.278 4.893 3.676 1.00 0.00 O ATOM 1120 CB ALA A 79 28.919 4.024 4.561 1.00 0.00 C ATOM 0 H ALA A 79 28.237 1.693 4.281 1.00 0.00 H new ATOM 0 HA ALA A 79 27.593 3.780 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.950 5.111 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.781 3.597 5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.944 3.737 3.510 1.00 0.00 H new ATOM 1126 N PHE A 80 25.204 3.865 5.371 1.00 0.00 N ATOM 1127 CA PHE A 80 23.834 4.298 5.014 1.00 0.00 C ATOM 1128 C PHE A 80 23.086 4.651 6.339 1.00 0.00 C ATOM 1129 O PHE A 80 23.045 3.852 7.282 1.00 0.00 O ATOM 1130 CB PHE A 80 23.163 3.143 4.222 1.00 0.00 C ATOM 1131 CG PHE A 80 21.804 3.486 3.604 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.735 4.237 2.427 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.623 3.049 4.212 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.500 4.546 1.865 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.390 3.362 3.653 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.331 4.112 2.483 1.00 0.00 C ATOM 0 H PHE A 80 25.235 3.310 6.226 1.00 0.00 H new ATOM 0 HA PHE A 80 23.818 5.185 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.838 2.828 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 80 23.037 2.290 4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.643 4.578 1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.669 2.466 5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.449 5.121 0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.480 3.024 4.126 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.372 4.359 2.052 1.00 0.00 H new ATOM 1146 N ALA A 81 22.479 5.846 6.406 1.00 0.00 N ATOM 1147 CA ALA A 81 21.780 6.316 7.634 1.00 0.00 C ATOM 1148 C ALA A 81 20.372 5.696 7.908 1.00 0.00 C ATOM 1149 O ALA A 81 20.061 5.393 9.063 1.00 0.00 O ATOM 1150 CB ALA A 81 21.737 7.854 7.553 1.00 0.00 C ATOM 0 H ALA A 81 22.453 6.510 5.632 1.00 0.00 H new ATOM 0 HA ALA A 81 22.345 5.964 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.232 8.251 8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.754 8.245 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.195 8.156 6.657 1.00 0.00 H new ATOM 1156 N GLY A 82 19.530 5.535 6.873 1.00 0.00 N ATOM 1157 CA GLY A 82 18.129 5.082 7.052 1.00 0.00 C ATOM 1158 C GLY A 82 17.097 5.712 6.092 1.00 0.00 C ATOM 1159 O GLY A 82 17.063 6.928 5.888 1.00 0.00 O ATOM 0 H GLY A 82 19.790 5.710 5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 82 18.098 3.999 6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.824 5.297 8.076 1.00 0.00 H new ATOM 1163 N LEU A 83 16.190 4.877 5.573 1.00 0.00 N ATOM 1164 CA LEU A 83 15.016 5.331 4.782 1.00 0.00 C ATOM 1165 C LEU A 83 13.822 5.870 5.650 1.00 0.00 C ATOM 1166 O LEU A 83 13.454 5.199 6.622 1.00 0.00 O ATOM 1167 CB LEU A 83 14.529 4.151 3.894 1.00 0.00 C ATOM 1168 CG LEU A 83 15.408 3.819 2.665 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.853 2.595 1.931 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.488 5.006 1.690 1.00 0.00 C ATOM 0 H LEU A 83 16.240 3.864 5.684 1.00 0.00 H new ATOM 0 HA LEU A 83 15.348 6.177 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.458 3.259 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.521 4.377 3.545 1.00 0.00 H new ATOM 0 HG LEU A 83 16.413 3.605 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.481 2.372 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.846 1.739 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.836 2.802 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.114 4.736 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.487 5.257 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.920 5.867 2.200 1.00 0.00 H new ATOM 1182 N PRO A 84 13.148 7.017 5.333 1.00 0.00 N ATOM 1183 CA PRO A 84 12.060 7.569 6.187 1.00 0.00 C ATOM 1184 C PRO A 84 10.645 6.924 6.001 1.00 0.00 C ATOM 1185 O PRO A 84 10.047 6.489 6.989 1.00 0.00 O ATOM 1186 CB PRO A 84 12.143 9.072 5.844 1.00 0.00 C ATOM 1187 CG PRO A 84 12.619 9.135 4.388 1.00 0.00 C ATOM 1188 CD PRO A 84 13.542 7.924 4.233 1.00 0.00 C ATOM 0 HA PRO A 84 12.198 7.348 7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.173 9.555 5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.838 9.588 6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.780 9.086 3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.148 10.066 4.183 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.413 7.448 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.591 8.211 4.311 1.00 0.00 H new ATOM 1196 N LYS A 85 10.103 6.852 4.768 1.00 0.00 N ATOM 1197 CA LYS A 85 8.737 6.325 4.510 1.00 0.00 C ATOM 1198 C LYS A 85 8.708 4.768 4.524 1.00 0.00 C ATOM 1199 O LYS A 85 9.609 4.100 4.001 1.00 0.00 O ATOM 1200 CB LYS A 85 8.220 6.807 3.128 1.00 0.00 C ATOM 1201 CG LYS A 85 8.142 8.335 2.890 1.00 0.00 C ATOM 1202 CD LYS A 85 7.547 8.757 1.527 1.00 0.00 C ATOM 1203 CE LYS A 85 8.404 8.447 0.281 1.00 0.00 C ATOM 1204 NZ LYS A 85 8.080 7.131 -0.303 1.00 0.00 N ATOM 0 H LYS A 85 10.592 7.154 3.925 1.00 0.00 H new ATOM 0 HA LYS A 85 8.098 6.702 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.864 6.379 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.224 6.391 2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.543 8.781 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.145 8.752 2.976 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.581 8.266 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.358 9.830 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.248 9.224 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.459 8.473 0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.908 6.766 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.823 6.468 0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.281 7.230 -0.961 1.00 0.00 H new ATOM 1217 N ILE A 86 7.628 4.185 5.064 1.00 0.00 N ATOM 1218 CA ILE A 86 7.321 2.723 4.894 1.00 0.00 C ATOM 1219 C ILE A 86 7.149 2.285 3.393 1.00 0.00 C ATOM 1220 O ILE A 86 7.662 1.238 2.995 1.00 0.00 O ATOM 1221 CB ILE A 86 6.156 2.330 5.876 1.00 0.00 C ATOM 1222 CG1 ILE A 86 6.120 0.834 6.306 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.748 2.843 5.476 1.00 0.00 C ATOM 1224 CD1 ILE A 86 5.704 -0.219 5.264 1.00 0.00 C ATOM 0 H ILE A 86 6.941 4.688 5.626 1.00 0.00 H new ATOM 0 HA ILE A 86 8.186 2.128 5.185 1.00 0.00 H new ATOM 0 HB ILE A 86 6.437 2.890 6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.114 0.569 6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.440 0.749 7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.018 2.518 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.757 3.932 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.478 2.440 4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.729 -1.210 5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.694 -0.006 4.914 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.394 -0.189 4.421 1.00 0.00 H new ATOM 1236 N GLU A 87 6.542 3.139 2.545 1.00 0.00 N ATOM 1237 CA GLU A 87 6.475 2.946 1.073 1.00 0.00 C ATOM 1238 C GLU A 87 7.852 2.924 0.332 1.00 0.00 C ATOM 1239 O GLU A 87 7.967 2.207 -0.661 1.00 0.00 O ATOM 1240 CB GLU A 87 5.559 4.031 0.432 1.00 0.00 C ATOM 1241 CG GLU A 87 4.102 4.192 0.955 1.00 0.00 C ATOM 1242 CD GLU A 87 3.893 5.002 2.241 1.00 0.00 C ATOM 1243 OE1 GLU A 87 4.790 5.520 2.905 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.576 5.078 2.574 1.00 0.00 O ATOM 0 H GLU A 87 6.079 3.991 2.860 1.00 0.00 H new ATOM 0 HA GLU A 87 6.060 1.947 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.058 4.993 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.504 3.826 -0.637 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.511 4.657 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.691 3.195 1.115 1.00 0.00 H new ATOM 1251 N ASP A 88 8.893 3.661 0.786 1.00 0.00 N ATOM 1252 CA ASP A 88 10.240 3.607 0.139 1.00 0.00 C ATOM 1253 C ASP A 88 10.911 2.192 0.267 1.00 0.00 C ATOM 1254 O ASP A 88 11.181 1.544 -0.749 1.00 0.00 O ATOM 1255 CB ASP A 88 11.085 4.802 0.667 1.00 0.00 C ATOM 1256 CG ASP A 88 12.369 5.066 -0.119 1.00 0.00 C ATOM 1257 OD1 ASP A 88 13.240 4.223 -0.278 1.00 0.00 O ATOM 1258 OD2 ASP A 88 12.462 6.341 -0.590 1.00 0.00 O ATOM 0 H ASP A 88 8.836 4.293 1.585 1.00 0.00 H new ATOM 0 HA ASP A 88 10.152 3.729 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.470 5.702 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.344 4.615 1.709 1.00 0.00 H new ATOM 1263 N ARG A 89 11.095 1.686 1.501 1.00 0.00 N ATOM 1264 CA ARG A 89 11.510 0.277 1.739 1.00 0.00 C ATOM 1265 C ARG A 89 10.518 -0.850 1.283 1.00 0.00 C ATOM 1266 O ARG A 89 10.995 -1.841 0.731 1.00 0.00 O ATOM 1267 CB ARG A 89 12.056 0.131 3.179 1.00 0.00 C ATOM 1268 CG ARG A 89 11.101 0.415 4.364 1.00 0.00 C ATOM 1269 CD ARG A 89 11.548 1.571 5.283 1.00 0.00 C ATOM 1270 NE ARG A 89 11.005 1.334 6.655 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.435 2.226 7.457 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.147 3.445 7.101 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.183 1.863 8.679 1.00 0.00 N ATOM 0 H ARG A 89 10.964 2.228 2.355 1.00 0.00 H new ATOM 0 HA ARG A 89 12.323 0.081 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.429 -0.887 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.913 0.797 3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.111 0.643 3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.005 -0.491 4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.636 1.630 5.313 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.188 2.523 4.894 1.00 0.00 H new ATOM 0 HE ARG A 89 11.080 0.383 7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.360 3.764 6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.709 4.081 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.422 0.922 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.746 2.519 9.326 1.00 0.00 H new ATOM 1287 N ALA A 90 9.180 -0.718 1.421 1.00 0.00 N ATOM 1288 CA ALA A 90 8.205 -1.647 0.774 1.00 0.00 C ATOM 1289 C ALA A 90 8.194 -1.726 -0.790 1.00 0.00 C ATOM 1290 O ALA A 90 8.046 -2.825 -1.330 1.00 0.00 O ATOM 1291 CB ALA A 90 6.811 -1.326 1.336 1.00 0.00 C ATOM 0 H ALA A 90 8.743 0.020 1.973 1.00 0.00 H new ATOM 0 HA ALA A 90 8.542 -2.651 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.074 -1.989 0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.812 -1.470 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.556 -0.291 1.108 1.00 0.00 H new ATOM 1297 N ASN A 91 8.403 -0.611 -1.516 1.00 0.00 N ATOM 1298 CA ASN A 91 8.668 -0.629 -2.989 1.00 0.00 C ATOM 1299 C ASN A 91 9.969 -1.407 -3.381 1.00 0.00 C ATOM 1300 O ASN A 91 9.910 -2.334 -4.194 1.00 0.00 O ATOM 1301 CB ASN A 91 8.672 0.830 -3.529 1.00 0.00 C ATOM 1302 CG ASN A 91 7.311 1.529 -3.629 1.00 0.00 C ATOM 1303 OD1 ASN A 91 6.257 0.921 -3.756 1.00 0.00 O ATOM 1304 ND2 ASN A 91 7.286 2.839 -3.628 1.00 0.00 N ATOM 0 H ASN A 91 8.396 0.326 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 91 7.861 -1.186 -3.465 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.316 1.429 -2.886 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.126 0.825 -4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.399 3.332 -3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.153 3.366 -3.523 1.00 0.00 H new ATOM 1311 N LEU A 92 11.117 -1.080 -2.755 1.00 0.00 N ATOM 1312 CA LEU A 92 12.328 -1.951 -2.727 1.00 0.00 C ATOM 1313 C LEU A 92 12.114 -3.462 -2.372 1.00 0.00 C ATOM 1314 O LEU A 92 12.538 -4.318 -3.142 1.00 0.00 O ATOM 1315 CB LEU A 92 13.371 -1.290 -1.773 1.00 0.00 C ATOM 1316 CG LEU A 92 14.492 -0.475 -2.458 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.263 0.322 -1.396 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.483 -1.358 -3.236 1.00 0.00 C ATOM 0 H LEU A 92 11.239 -0.202 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 92 12.680 -2.005 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.840 -0.633 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.833 -2.074 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 92 14.011 0.189 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.054 0.898 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.581 1.000 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.702 -0.365 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.247 -0.730 -3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.956 -2.064 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.950 -1.907 -4.012 1.00 0.00 H new ATOM 1330 N ILE A 93 11.462 -3.801 -1.247 1.00 0.00 N ATOM 1331 CA ILE A 93 11.179 -5.217 -0.838 1.00 0.00 C ATOM 1332 C ILE A 93 10.209 -5.983 -1.817 1.00 0.00 C ATOM 1333 O ILE A 93 10.426 -7.173 -2.069 1.00 0.00 O ATOM 1334 CB ILE A 93 10.787 -5.216 0.690 1.00 0.00 C ATOM 1335 CG1 ILE A 93 12.000 -4.858 1.613 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.153 -6.535 1.197 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.635 -4.336 3.014 1.00 0.00 C ATOM 0 H ILE A 93 11.109 -3.111 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 93 12.077 -5.827 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 93 10.024 -4.441 0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.623 -5.746 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.607 -4.105 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.917 -6.441 2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.239 -6.738 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.856 -7.355 1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.547 -4.119 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.042 -3.427 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.058 -5.093 3.545 1.00 0.00 H new ATOM 1349 N ALA A 94 9.185 -5.333 -2.402 1.00 0.00 N ATOM 1350 CA ALA A 94 8.464 -5.856 -3.600 1.00 0.00 C ATOM 1351 C ALA A 94 9.348 -6.107 -4.873 1.00 0.00 C ATOM 1352 O ALA A 94 9.330 -7.211 -5.426 1.00 0.00 O ATOM 1353 CB ALA A 94 7.305 -4.877 -3.871 1.00 0.00 C ATOM 0 H ALA A 94 8.829 -4.437 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 94 8.106 -6.861 -3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.741 -5.213 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.647 -4.843 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.706 -3.882 -4.061 1.00 0.00 H new ATOM 1359 N TYR A 95 10.154 -5.113 -5.296 1.00 0.00 N ATOM 1360 CA TYR A 95 11.222 -5.280 -6.326 1.00 0.00 C ATOM 1361 C TYR A 95 12.266 -6.414 -6.038 1.00 0.00 C ATOM 1362 O TYR A 95 12.424 -7.297 -6.877 1.00 0.00 O ATOM 1363 CB TYR A 95 11.822 -3.859 -6.530 1.00 0.00 C ATOM 1364 CG TYR A 95 13.054 -3.741 -7.437 1.00 0.00 C ATOM 1365 CD1 TYR A 95 12.925 -3.759 -8.828 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.323 -3.609 -6.866 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.055 -3.658 -9.637 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.446 -3.493 -7.677 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.313 -3.510 -9.061 1.00 0.00 C ATOM 1370 OH TYR A 95 16.416 -3.345 -9.854 1.00 0.00 O ATOM 0 H TYR A 95 10.089 -4.161 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 95 10.800 -5.659 -7.257 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.040 -3.218 -6.937 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.084 -3.459 -5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 95 11.947 -3.851 -9.277 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.431 -3.597 -5.792 1.00 0.00 H new ATOM 0 HE1 TYR A 95 13.954 -3.695 -10.712 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.424 -3.389 -7.231 1.00 0.00 H new ATOM 0 HH TYR A 95 17.164 -3.020 -9.311 1.00 0.00 H new ATOM 1380 N LEU A 96 12.939 -6.427 -4.877 1.00 0.00 N ATOM 1381 CA LEU A 96 13.918 -7.493 -4.489 1.00 0.00 C ATOM 1382 C LEU A 96 13.368 -8.963 -4.374 1.00 0.00 C ATOM 1383 O LEU A 96 14.139 -9.916 -4.519 1.00 0.00 O ATOM 1384 CB LEU A 96 14.589 -7.047 -3.155 1.00 0.00 C ATOM 1385 CG LEU A 96 15.455 -5.754 -3.168 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.697 -5.251 -1.734 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.790 -5.952 -3.903 1.00 0.00 C ATOM 0 H LEU A 96 12.830 -5.702 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 96 14.624 -7.571 -5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.801 -6.914 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.218 -7.867 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 96 14.895 -4.999 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.304 -4.346 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.741 -5.031 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.218 -6.019 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.357 -5.021 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.364 -6.737 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.597 -6.239 -4.937 1.00 0.00 H new ATOM 1399 N GLU A 97 12.056 -9.149 -4.135 1.00 0.00 N ATOM 1400 CA GLU A 97 11.353 -10.451 -4.339 1.00 0.00 C ATOM 1401 C GLU A 97 11.173 -10.867 -5.841 1.00 0.00 C ATOM 1402 O GLU A 97 11.540 -11.989 -6.199 1.00 0.00 O ATOM 1403 CB GLU A 97 9.985 -10.394 -3.599 1.00 0.00 C ATOM 1404 CG GLU A 97 10.084 -10.400 -2.056 1.00 0.00 C ATOM 1405 CD GLU A 97 8.777 -10.076 -1.341 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.565 -8.729 -1.246 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.020 -10.931 -0.891 1.00 0.00 O ATOM 0 H GLU A 97 11.444 -8.407 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 97 11.988 -11.232 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.455 -9.494 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.381 -11.245 -3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.429 -11.381 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.841 -9.678 -1.750 1.00 0.00 H new ATOM 1414 N GLY A 98 10.603 -10.003 -6.706 1.00 0.00 N ATOM 1415 CA GLY A 98 10.433 -10.308 -8.157 1.00 0.00 C ATOM 1416 C GLY A 98 11.679 -10.181 -9.067 1.00 0.00 C ATOM 1417 O GLY A 98 11.990 -11.099 -9.828 1.00 0.00 O ATOM 0 H GLY A 98 10.250 -9.086 -6.433 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.056 -11.327 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.661 -9.647 -8.551 1.00 0.00 H new ATOM 1421 N GLN A 99 12.355 -9.027 -9.019 1.00 0.00 N ATOM 1422 CA GLN A 99 13.597 -8.757 -9.788 1.00 0.00 C ATOM 1423 C GLN A 99 14.832 -9.180 -8.933 1.00 0.00 C ATOM 1424 O GLN A 99 15.205 -8.501 -7.968 1.00 0.00 O ATOM 1425 CB GLN A 99 13.637 -7.244 -10.155 1.00 0.00 C ATOM 1426 CG GLN A 99 12.685 -6.761 -11.285 1.00 0.00 C ATOM 1427 CD GLN A 99 11.191 -6.687 -10.935 1.00 0.00 C ATOM 1428 OE1 GLN A 99 10.734 -5.855 -10.159 1.00 0.00 O ATOM 1429 NE2 GLN A 99 10.374 -7.548 -11.493 1.00 0.00 N ATOM 0 H GLN A 99 12.060 -8.240 -8.442 1.00 0.00 H new ATOM 0 HA GLN A 99 13.618 -9.335 -10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.410 -6.672 -9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.658 -6.993 -10.443 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.010 -5.771 -11.606 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.803 -7.428 -12.139 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.735 -8.248 -12.141 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.377 -7.518 -11.279 1.00 0.00 H new ATOM 1438 N GLN A 100 15.432 -10.325 -9.287 1.00 0.00 N ATOM 1439 CA GLN A 100 16.545 -10.929 -8.513 1.00 0.00 C ATOM 1440 C GLN A 100 17.827 -10.920 -9.379 1.00 0.00 C ATOM 1441 O GLN A 100 18.030 -11.826 -10.221 1.00 0.00 O ATOM 1442 CB GLN A 100 16.145 -12.347 -8.021 1.00 0.00 C ATOM 1443 CG GLN A 100 14.962 -12.401 -7.016 1.00 0.00 C ATOM 1444 CD GLN A 100 14.717 -13.771 -6.370 1.00 0.00 C ATOM 1445 OE1 GLN A 100 15.619 -14.550 -6.080 1.00 0.00 O ATOM 1446 NE2 GLN A 100 13.486 -14.100 -6.068 1.00 0.00 N ATOM 1447 OXT GLN A 100 18.657 -10.002 -9.196 1.00 0.00 O ATOM 0 H GLN A 100 15.167 -10.862 -10.112 1.00 0.00 H new ATOM 0 HA GLN A 100 16.754 -10.343 -7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 100 15.888 -12.954 -8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 100 17.015 -12.809 -7.555 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.143 -11.672 -6.226 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.053 -12.093 -7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.718 -13.469 -6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.295 -14.987 -5.602 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.807 -1.683 1.552 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.782 -4.523 3.219 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.727 -3.292 1.509 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.535 1.145 0.469 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.729 -0.431 1.376 1.00 0.00 C HETATM 1462 NA HEC A 101 22.947 -3.326 2.330 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.488 -4.373 2.924 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.677 -5.423 3.220 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.495 -5.042 2.770 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.737 -3.840 2.185 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.187 -5.858 2.865 1.00 0.00 C HETATM 1468 CAA HEC A 101 22.948 -6.803 3.871 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.189 -7.920 2.824 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.261 -9.349 3.374 1.00 0.00 C HETATM 1471 O1A HEC A 101 22.650 -10.252 2.762 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.921 -9.582 4.412 1.00 0.00 O HETATM 1473 NB HEC A 101 22.061 -1.245 1.047 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.846 -1.973 0.891 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.821 -1.292 0.241 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.272 0.001 0.074 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.589 0.016 0.579 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.466 -1.851 -0.230 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.527 1.134 -0.667 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.309 1.610 0.136 1.00 0.00 C HETATM 1481 NC HEC A 101 24.445 0.045 1.246 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.847 1.069 0.728 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.670 2.084 0.370 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.902 1.607 0.564 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.690 0.370 1.085 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.366 3.470 -0.217 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.217 2.280 0.073 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.517 3.668 0.663 1.00 0.00 C HETATM 1489 ND HEC A 101 25.406 -2.440 2.004 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.653 -1.798 1.922 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.708 -2.483 2.544 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.158 -3.622 3.095 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.796 -3.566 2.777 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.171 -2.042 2.649 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.900 -4.720 3.883 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.734 -4.596 5.416 1.00 0.00 C HETATM 1497 CGD HEC A 101 28.665 -5.443 6.288 1.00 0.00 C HETATM 1498 O1D HEC A 101 28.547 -5.356 7.528 1.00 0.00 O HETATM 1499 O2D HEC A 101 29.530 -6.173 5.767 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.588 -1.925 1.649 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.227 -1.091 3.179 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.740 -2.795 3.194 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.848 3.356 -1.169 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.735 4.028 0.475 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.299 4.011 -0.374 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.633 -2.656 -0.946 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.914 -2.237 0.627 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.890 -1.057 -0.705 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.310 -6.805 2.340 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.954 -6.052 3.912 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.372 -5.294 2.411 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 27.874 -3.550 5.688 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.706 -4.856 5.667 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.709 4.354 0.408 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.600 3.592 1.747 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.455 4.043 0.253 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.621 0.777 0.282 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.636 1.984 1.106 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.803 2.407 -0.408 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.390 -7.876 2.084 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 24.121 -7.706 2.300 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.535 -5.696 3.563 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 28.961 -4.680 3.636 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.818 -6.728 4.523 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.101 -7.076 4.500 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.726 -0.031 1.190 1.00 0.00 H new HETATM 0 HHC HEC A 101 22.137 2.110 0.154 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.790 -3.841 1.415 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.092 -5.386 3.808 1.00 0.00 H new HETATM 0 H2A HEC A 101 24.877 -9.594 4.196 1.00 0.00 H new