USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=17 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 Set 1.1: A 95 TYR OH : rot 141:sc= 0.874 USER MOD Set 1.2: A 99 GLN : amide:sc= 0 X(o=0.87,f=0.87) USER MOD Set 2.1: A 45 ASN : amide:sc= 0 K(o=1,f=-0.58) USER MOD Set 2.2: A 77 LYS NZ :NH3+ -163:sc= 1.02 (180deg=0.809) USER MOD Set 3.1: A 47 SER OG : rot -104:sc= 0.933 USER MOD Set 3.2: A 50 MET CE :methyl 156:sc= -0.0646 (180deg=-0.281) USER MOD Set 3.3: A 76 THR OG1 : rot 180:sc= 0.214 USER MOD Set 3.4: A 101 HEC O2D : rot 7:sc= 1.01 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 176:sc= 0.682 (180deg=0) USER MOD Set 4.2: A 23 ASN : amide:sc= 0.601 K(o=1.3,f=-5.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0161) USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.265) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= 0.382 (180deg=0.167) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0974 X(o=-0.097,f=-0.11) USER MOD Single : A 31 ASN : amide:sc= 0.121 X(o=0.12,f=0.46) USER MOD Single : A 37 THR OG1 : rot 55:sc= 1.14 USER MOD Single : A 46 TYR OH : rot -7:sc= 1.29 USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 0.542 (180deg=0.455) USER MOD Single : A 53 HIS : no HD1:sc= -0.0948 X(o=-0.095,f=-0.42) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 63 GLN : amide:sc= 0.00995 X(o=0.01,f=-0.4) USER MOD Single : A 67 THR OG1 : rot 91:sc= 1.17 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -176:sc=-0.00519 (180deg=-0.0584) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.575 K(o=-0.57,f=-2.5!) USER MOD Single : A 100 GLN : amide:sc= 0.676 K(o=0.68,f=-0.13) USER MOD Single : A 101 HEC O2A : rot 151:sc= 0.0406 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.922 -2.125 0.820 1.00 0.00 N ATOM 2 CA MET A 1 2.481 -1.158 -0.165 1.00 0.00 C ATOM 3 C MET A 1 3.600 -1.828 -1.023 1.00 0.00 C ATOM 4 O MET A 1 4.794 -1.628 -0.784 1.00 0.00 O ATOM 5 CB MET A 1 2.954 0.118 0.587 1.00 0.00 C ATOM 6 CG MET A 1 1.834 1.021 1.143 1.00 0.00 C ATOM 7 SD MET A 1 0.931 1.791 -0.217 1.00 0.00 S ATOM 8 CE MET A 1 -0.091 2.949 0.708 1.00 0.00 C ATOM 0 H1 MET A 1 1.123 -1.687 1.322 1.00 0.00 H new ATOM 0 H2 MET A 1 1.593 -2.977 0.322 1.00 0.00 H new ATOM 0 H3 MET A 1 2.659 -2.388 1.505 1.00 0.00 H new ATOM 0 HA MET A 1 1.712 -0.851 -0.874 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.594 -0.187 1.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.570 0.710 -0.091 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.152 0.433 1.757 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.261 1.789 1.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.718 3.513 0.017 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.723 2.400 1.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.548 3.637 1.262 1.00 0.00 H new ATOM 19 N ALA A 2 3.210 -2.637 -2.028 1.00 0.00 N ATOM 20 CA ALA A 2 4.165 -3.460 -2.818 1.00 0.00 C ATOM 21 C ALA A 2 4.219 -3.033 -4.317 1.00 0.00 C ATOM 22 O ALA A 2 3.584 -3.645 -5.182 1.00 0.00 O ATOM 23 CB ALA A 2 3.743 -4.930 -2.604 1.00 0.00 C ATOM 0 H ALA A 2 2.238 -2.742 -2.317 1.00 0.00 H new ATOM 0 HA ALA A 2 5.190 -3.315 -2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.411 -5.585 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.799 -5.174 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.721 -5.070 -2.955 1.00 0.00 H new ATOM 29 N ASP A 3 5.002 -1.983 -4.627 1.00 0.00 N ATOM 30 CA ASP A 3 5.079 -1.413 -6.005 1.00 0.00 C ATOM 31 C ASP A 3 6.526 -1.631 -6.574 1.00 0.00 C ATOM 32 O ASP A 3 7.420 -0.851 -6.221 1.00 0.00 O ATOM 33 CB ASP A 3 4.656 0.084 -6.026 1.00 0.00 C ATOM 34 CG ASP A 3 3.276 0.419 -5.459 1.00 0.00 C ATOM 35 OD1 ASP A 3 3.309 0.644 -4.108 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.263 0.481 -6.149 1.00 0.00 O ATOM 0 H ASP A 3 5.595 -1.505 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 3 4.373 -1.935 -6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.399 0.655 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.693 0.433 -7.058 1.00 0.00 H new ATOM 41 N PRO A 4 6.827 -2.641 -7.446 1.00 0.00 N ATOM 42 CA PRO A 4 8.222 -2.929 -7.895 1.00 0.00 C ATOM 43 C PRO A 4 8.882 -1.923 -8.896 1.00 0.00 C ATOM 44 O PRO A 4 10.098 -1.727 -8.841 1.00 0.00 O ATOM 45 CB PRO A 4 8.091 -4.368 -8.434 1.00 0.00 C ATOM 46 CG PRO A 4 6.643 -4.496 -8.910 1.00 0.00 C ATOM 47 CD PRO A 4 5.840 -3.619 -7.947 1.00 0.00 C ATOM 0 HA PRO A 4 8.932 -2.813 -7.076 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.790 -4.546 -9.251 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.315 -5.100 -7.658 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.533 -4.157 -9.940 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.305 -5.532 -8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.011 -3.125 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.412 -4.206 -7.134 1.00 0.00 H new ATOM 55 N ALA A 5 8.097 -1.251 -9.757 1.00 0.00 N ATOM 56 CA ALA A 5 8.586 -0.103 -10.576 1.00 0.00 C ATOM 57 C ALA A 5 9.016 1.168 -9.766 1.00 0.00 C ATOM 58 O ALA A 5 10.082 1.732 -10.029 1.00 0.00 O ATOM 59 CB ALA A 5 7.497 0.201 -11.622 1.00 0.00 C ATOM 0 H ALA A 5 7.114 -1.477 -9.911 1.00 0.00 H new ATOM 0 HA ALA A 5 9.522 -0.397 -11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.814 1.037 -12.245 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.338 -0.677 -12.247 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.567 0.459 -11.115 1.00 0.00 H new ATOM 65 N ALA A 6 8.240 1.567 -8.737 1.00 0.00 N ATOM 66 CA ALA A 6 8.708 2.538 -7.707 1.00 0.00 C ATOM 67 C ALA A 6 9.935 2.080 -6.845 1.00 0.00 C ATOM 68 O ALA A 6 10.843 2.877 -6.602 1.00 0.00 O ATOM 69 CB ALA A 6 7.491 2.894 -6.835 1.00 0.00 C ATOM 0 H ALA A 6 7.286 1.236 -8.591 1.00 0.00 H new ATOM 0 HA ALA A 6 9.103 3.410 -8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.791 3.605 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.715 3.339 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.104 1.990 -6.364 1.00 0.00 H new ATOM 75 N GLY A 7 10.007 0.794 -6.453 1.00 0.00 N ATOM 76 CA GLY A 7 11.236 0.195 -5.862 1.00 0.00 C ATOM 77 C GLY A 7 12.539 0.171 -6.693 1.00 0.00 C ATOM 78 O GLY A 7 13.618 0.145 -6.103 1.00 0.00 O ATOM 0 H GLY A 7 9.228 0.140 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.448 0.729 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.001 -0.834 -5.591 1.00 0.00 H new ATOM 82 N GLU A 8 12.451 0.222 -8.032 1.00 0.00 N ATOM 83 CA GLU A 8 13.629 0.463 -8.917 1.00 0.00 C ATOM 84 C GLU A 8 14.263 1.885 -8.792 1.00 0.00 C ATOM 85 O GLU A 8 15.493 1.987 -8.812 1.00 0.00 O ATOM 86 CB GLU A 8 13.240 0.108 -10.380 1.00 0.00 C ATOM 87 CG GLU A 8 14.424 -0.063 -11.373 1.00 0.00 C ATOM 88 CD GLU A 8 14.859 1.180 -12.156 1.00 0.00 C ATOM 89 OE1 GLU A 8 15.720 1.980 -11.457 1.00 0.00 O ATOM 90 OE2 GLU A 8 14.483 1.409 -13.303 1.00 0.00 O ATOM 0 H GLU A 8 11.575 0.100 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 8 14.429 -0.195 -8.578 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.664 -0.817 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.581 0.889 -10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.285 -0.430 -10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.156 -0.839 -12.090 1.00 0.00 H new ATOM 97 N LYS A 9 13.457 2.960 -8.686 1.00 0.00 N ATOM 98 CA LYS A 9 13.970 4.315 -8.316 1.00 0.00 C ATOM 99 C LYS A 9 14.422 4.489 -6.824 1.00 0.00 C ATOM 100 O LYS A 9 15.406 5.195 -6.581 1.00 0.00 O ATOM 101 CB LYS A 9 13.027 5.439 -8.825 1.00 0.00 C ATOM 102 CG LYS A 9 11.604 5.488 -8.225 1.00 0.00 C ATOM 103 CD LYS A 9 10.746 6.698 -8.660 1.00 0.00 C ATOM 104 CE LYS A 9 10.857 7.965 -7.787 1.00 0.00 C ATOM 105 NZ LYS A 9 12.119 8.700 -8.000 1.00 0.00 N ATOM 0 H LYS A 9 12.451 2.927 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 9 14.914 4.417 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.509 6.398 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.935 5.340 -9.907 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.079 4.573 -8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.686 5.493 -7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.020 6.962 -9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.702 6.387 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.017 8.625 -8.004 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.779 7.685 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.044 9.648 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.902 8.183 -7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.302 8.787 -9.020 1.00 0.00 H new ATOM 118 N VAL A 10 13.783 3.815 -5.840 1.00 0.00 N ATOM 119 CA VAL A 10 14.344 3.690 -4.451 1.00 0.00 C ATOM 120 C VAL A 10 15.683 2.857 -4.395 1.00 0.00 C ATOM 121 O VAL A 10 16.634 3.291 -3.737 1.00 0.00 O ATOM 122 CB VAL A 10 13.301 3.237 -3.368 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.805 3.533 -1.933 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.909 3.905 -3.451 1.00 0.00 C ATOM 0 H VAL A 10 12.885 3.349 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 10 14.607 4.711 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 10 13.197 2.173 -3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.057 3.206 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.738 2.997 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.975 4.604 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.272 3.518 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.016 4.984 -3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.457 3.685 -4.418 1.00 0.00 H new ATOM 134 N PHE A 11 15.806 1.723 -5.122 1.00 0.00 N ATOM 135 CA PHE A 11 17.120 1.060 -5.381 1.00 0.00 C ATOM 136 C PHE A 11 18.233 1.926 -6.071 1.00 0.00 C ATOM 137 O PHE A 11 19.407 1.640 -5.841 1.00 0.00 O ATOM 138 CB PHE A 11 16.864 -0.286 -6.121 1.00 0.00 C ATOM 139 CG PHE A 11 18.084 -1.228 -6.236 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.604 -1.847 -5.095 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.708 -1.442 -7.471 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.745 -2.640 -5.181 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.839 -2.254 -7.557 1.00 0.00 C ATOM 144 CZ PHE A 11 20.366 -2.839 -6.409 1.00 0.00 C ATOM 0 H PHE A 11 15.012 1.241 -5.544 1.00 0.00 H new ATOM 0 HA PHE A 11 17.563 0.887 -4.400 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.065 -0.818 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.503 -0.065 -7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.117 -1.709 -4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.312 -0.976 -8.361 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.149 -3.102 -4.292 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.306 -2.429 -8.515 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.256 -3.447 -6.472 1.00 0.00 H new ATOM 154 N GLY A 12 17.925 2.995 -6.833 1.00 0.00 N ATOM 155 CA GLY A 12 18.951 3.983 -7.286 1.00 0.00 C ATOM 156 C GLY A 12 19.873 4.661 -6.230 1.00 0.00 C ATOM 157 O GLY A 12 21.045 4.909 -6.517 1.00 0.00 O ATOM 0 H GLY A 12 16.979 3.204 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.594 3.480 -8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.429 4.775 -7.822 1.00 0.00 H new ATOM 161 N LYS A 13 19.370 4.894 -5.006 1.00 0.00 N ATOM 162 CA LYS A 13 20.224 5.188 -3.811 1.00 0.00 C ATOM 163 C LYS A 13 21.184 4.022 -3.360 1.00 0.00 C ATOM 164 O LYS A 13 22.308 4.284 -2.924 1.00 0.00 O ATOM 165 CB LYS A 13 19.313 5.648 -2.635 1.00 0.00 C ATOM 166 CG LYS A 13 18.804 7.114 -2.652 1.00 0.00 C ATOM 167 CD LYS A 13 17.697 7.483 -3.663 1.00 0.00 C ATOM 168 CE LYS A 13 16.310 6.952 -3.272 1.00 0.00 C ATOM 169 NZ LYS A 13 15.321 7.298 -4.311 1.00 0.00 N ATOM 0 H LYS A 13 18.370 4.887 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 13 20.903 5.985 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.444 4.991 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.861 5.493 -1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.438 7.352 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 13 19.659 7.763 -2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.649 8.568 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.965 7.089 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.350 5.870 -3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.007 7.376 -2.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.371 7.332 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.553 8.228 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.341 6.579 -5.062 1.00 0.00 H new ATOM 182 N CYS A 14 20.751 2.754 -3.469 1.00 0.00 N ATOM 183 CA CYS A 14 21.626 1.565 -3.306 1.00 0.00 C ATOM 184 C CYS A 14 22.644 1.284 -4.474 1.00 0.00 C ATOM 185 O CYS A 14 23.745 0.804 -4.196 1.00 0.00 O ATOM 186 CB CYS A 14 20.698 0.343 -3.099 1.00 0.00 C ATOM 187 SG CYS A 14 19.128 0.690 -2.247 1.00 0.00 S ATOM 0 H CYS A 14 19.780 2.517 -3.674 1.00 0.00 H new ATOM 0 HA CYS A 14 22.272 1.764 -2.451 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.475 -0.091 -4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 14 21.241 -0.412 -2.531 1.00 0.00 H new ATOM 192 N LYS A 15 22.292 1.560 -5.754 1.00 0.00 N ATOM 193 CA LYS A 15 23.109 1.201 -6.962 1.00 0.00 C ATOM 194 C LYS A 15 24.607 1.648 -7.032 1.00 0.00 C ATOM 195 O LYS A 15 25.413 0.945 -7.649 1.00 0.00 O ATOM 196 CB LYS A 15 22.375 1.683 -8.250 1.00 0.00 C ATOM 197 CG LYS A 15 21.181 0.809 -8.690 1.00 0.00 C ATOM 198 CD LYS A 15 20.483 1.254 -9.992 1.00 0.00 C ATOM 199 CE LYS A 15 21.255 0.883 -11.269 1.00 0.00 C ATOM 200 NZ LYS A 15 20.477 1.281 -12.459 1.00 0.00 N ATOM 0 H LYS A 15 21.425 2.043 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 15 23.184 0.117 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.020 2.701 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 15 23.096 1.723 -9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.529 -0.216 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.444 0.799 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.492 0.803 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.341 2.334 -9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.225 1.380 -11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.446 -0.190 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.004 1.028 -13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.561 0.788 -12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.317 2.308 -12.441 1.00 0.00 H new ATOM 213 N ALA A 16 24.993 2.775 -6.408 1.00 0.00 N ATOM 214 CA ALA A 16 26.429 3.121 -6.198 1.00 0.00 C ATOM 215 C ALA A 16 27.281 2.106 -5.356 1.00 0.00 C ATOM 216 O ALA A 16 28.477 1.947 -5.613 1.00 0.00 O ATOM 217 CB ALA A 16 26.449 4.534 -5.584 1.00 0.00 C ATOM 0 H ALA A 16 24.341 3.466 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 16 26.926 3.074 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.480 4.840 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.974 5.236 -6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.906 4.528 -4.639 1.00 0.00 H new ATOM 223 N CYS A 17 26.662 1.424 -4.376 1.00 0.00 N ATOM 224 CA CYS A 17 27.288 0.307 -3.629 1.00 0.00 C ATOM 225 C CYS A 17 26.865 -1.140 -4.064 1.00 0.00 C ATOM 226 O CYS A 17 27.722 -2.028 -4.043 1.00 0.00 O ATOM 227 CB CYS A 17 26.959 0.548 -2.147 1.00 0.00 C ATOM 228 SG CYS A 17 27.466 2.200 -1.577 1.00 0.00 S ATOM 0 H CYS A 17 25.709 1.629 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 17 28.356 0.321 -3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.887 0.428 -1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.455 -0.210 -1.541 1.00 0.00 H new ATOM 233 N HIS A 18 25.582 -1.406 -4.385 1.00 0.00 N ATOM 234 CA HIS A 18 25.058 -2.784 -4.628 1.00 0.00 C ATOM 235 C HIS A 18 24.636 -2.998 -6.115 1.00 0.00 C ATOM 236 O HIS A 18 23.903 -2.188 -6.690 1.00 0.00 O ATOM 237 CB HIS A 18 23.822 -3.035 -3.728 1.00 0.00 C ATOM 238 CG HIS A 18 24.087 -3.184 -2.235 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.503 -4.353 -1.662 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.721 -2.279 -1.240 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.290 -4.084 -0.347 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.755 -2.861 0.044 1.00 0.00 N ATOM 0 H HIS A 18 24.874 -0.679 -4.485 1.00 0.00 H new ATOM 0 HA HIS A 18 25.862 -3.482 -4.393 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.124 -2.210 -3.870 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.323 -3.939 -4.078 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.872 -5.196 -2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.444 -1.253 -1.430 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.538 -4.824 0.399 1.00 0.00 H new ATOM 250 N LYS A 19 25.040 -4.130 -6.716 1.00 0.00 N ATOM 251 CA LYS A 19 24.811 -4.387 -8.173 1.00 0.00 C ATOM 252 C LYS A 19 23.545 -5.234 -8.531 1.00 0.00 C ATOM 253 O LYS A 19 22.814 -4.840 -9.439 1.00 0.00 O ATOM 254 CB LYS A 19 26.100 -4.999 -8.796 1.00 0.00 C ATOM 255 CG LYS A 19 27.382 -4.125 -8.790 1.00 0.00 C ATOM 256 CD LYS A 19 27.362 -2.872 -9.699 1.00 0.00 C ATOM 257 CE LYS A 19 27.296 -3.120 -11.220 1.00 0.00 C ATOM 258 NZ LYS A 19 28.550 -3.698 -11.746 1.00 0.00 N ATOM 0 H LYS A 19 25.525 -4.885 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 19 24.592 -3.414 -8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.322 -5.926 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.880 -5.267 -9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.571 -3.802 -7.766 1.00 0.00 H new ATOM 0 HG3 LYS A 19 28.224 -4.750 -9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 19 26.505 -2.261 -9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.256 -2.285 -9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.467 -3.792 -11.441 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.089 -2.180 -11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 28.437 -3.911 -12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 29.326 -3.017 -11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 28.771 -4.574 -11.231 1.00 0.00 H new ATOM 271 N LEU A 20 23.345 -6.417 -7.905 1.00 0.00 N ATOM 272 CA LEU A 20 22.431 -7.512 -8.391 1.00 0.00 C ATOM 273 C LEU A 20 23.105 -8.503 -9.385 1.00 0.00 C ATOM 274 O LEU A 20 22.941 -9.720 -9.255 1.00 0.00 O ATOM 275 CB LEU A 20 21.010 -7.114 -8.910 1.00 0.00 C ATOM 276 CG LEU A 20 20.133 -6.262 -7.964 1.00 0.00 C ATOM 277 CD1 LEU A 20 18.954 -5.638 -8.729 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.577 -7.081 -6.792 1.00 0.00 C ATOM 0 H LEU A 20 23.816 -6.655 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 20 22.239 -8.016 -7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 20 21.131 -6.567 -9.845 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.466 -8.029 -9.145 1.00 0.00 H new ATOM 0 HG LEU A 20 20.780 -5.480 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.350 -5.043 -8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.335 -4.999 -9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.340 -6.429 -9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.968 -6.439 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.965 -7.897 -7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.403 -7.490 -6.210 1.00 0.00 H new ATOM 290 N ASP A 21 23.839 -7.997 -10.385 1.00 0.00 N ATOM 291 CA ASP A 21 24.210 -8.786 -11.595 1.00 0.00 C ATOM 292 C ASP A 21 25.522 -9.623 -11.422 1.00 0.00 C ATOM 293 O ASP A 21 26.504 -9.434 -12.148 1.00 0.00 O ATOM 294 CB ASP A 21 24.248 -7.822 -12.817 1.00 0.00 C ATOM 295 CG ASP A 21 22.938 -7.122 -13.192 1.00 0.00 C ATOM 296 OD1 ASP A 21 22.053 -7.964 -13.803 1.00 0.00 O ATOM 297 OD2 ASP A 21 22.725 -5.935 -12.968 1.00 0.00 O ATOM 0 H ASP A 21 24.195 -7.041 -10.391 1.00 0.00 H new ATOM 0 HA ASP A 21 23.449 -9.547 -11.765 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.997 -7.055 -12.620 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.590 -8.387 -13.684 1.00 0.00 H new ATOM 302 N GLY A 22 25.529 -10.582 -10.474 1.00 0.00 N ATOM 303 CA GLY A 22 26.657 -11.554 -10.327 1.00 0.00 C ATOM 304 C GLY A 22 27.949 -11.092 -9.608 1.00 0.00 C ATOM 305 O GLY A 22 28.490 -11.835 -8.789 1.00 0.00 O ATOM 0 H GLY A 22 24.776 -10.713 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.275 -12.425 -9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.937 -11.889 -11.326 1.00 0.00 H new ATOM 309 N ASN A 23 28.458 -9.896 -9.940 1.00 0.00 N ATOM 310 CA ASN A 23 29.496 -9.197 -9.132 1.00 0.00 C ATOM 311 C ASN A 23 28.909 -8.331 -7.973 1.00 0.00 C ATOM 312 O ASN A 23 27.737 -7.948 -7.946 1.00 0.00 O ATOM 313 CB ASN A 23 30.467 -8.392 -10.042 1.00 0.00 C ATOM 314 CG ASN A 23 29.881 -7.336 -10.990 1.00 0.00 C ATOM 315 OD1 ASN A 23 29.691 -6.180 -10.633 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.589 -7.684 -12.218 1.00 0.00 N ATOM 0 H ASN A 23 28.170 -9.379 -10.771 1.00 0.00 H new ATOM 0 HA ASN A 23 30.075 -9.975 -8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 23 31.189 -7.892 -9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 23 31.023 -9.108 -10.647 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.207 -6.995 -12.866 1.00 0.00 H new ATOM 0 HD22 ASN A 23 29.743 -8.644 -12.526 1.00 0.00 H new ATOM 323 N ASP A 24 29.785 -8.039 -7.005 1.00 0.00 N ATOM 324 CA ASP A 24 29.379 -7.467 -5.687 1.00 0.00 C ATOM 325 C ASP A 24 29.242 -5.905 -5.724 1.00 0.00 C ATOM 326 O ASP A 24 28.119 -5.390 -5.720 1.00 0.00 O ATOM 327 CB ASP A 24 30.316 -8.026 -4.568 1.00 0.00 C ATOM 328 CG ASP A 24 30.253 -9.545 -4.334 1.00 0.00 C ATOM 329 OD1 ASP A 24 30.658 -10.368 -5.150 1.00 0.00 O ATOM 330 OD2 ASP A 24 29.721 -9.870 -3.120 1.00 0.00 O ATOM 0 H ASP A 24 30.790 -8.186 -7.097 1.00 0.00 H new ATOM 0 HA ASP A 24 28.369 -7.796 -5.442 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.343 -7.758 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.072 -7.524 -3.632 1.00 0.00 H new ATOM 335 N GLY A 25 30.372 -5.176 -5.759 1.00 0.00 N ATOM 336 CA GLY A 25 30.403 -3.689 -5.706 1.00 0.00 C ATOM 337 C GLY A 25 31.173 -3.158 -4.475 1.00 0.00 C ATOM 338 O GLY A 25 32.300 -3.581 -4.205 1.00 0.00 O ATOM 0 H GLY A 25 31.299 -5.597 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 25 30.867 -3.306 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 25 29.382 -3.308 -5.685 1.00 0.00 H new ATOM 342 N VAL A 26 30.554 -2.238 -3.723 1.00 0.00 N ATOM 343 CA VAL A 26 30.992 -1.897 -2.325 1.00 0.00 C ATOM 344 C VAL A 26 30.286 -2.853 -1.299 1.00 0.00 C ATOM 345 O VAL A 26 30.968 -3.499 -0.499 1.00 0.00 O ATOM 346 CB VAL A 26 30.799 -0.376 -1.977 1.00 0.00 C ATOM 347 CG1 VAL A 26 31.328 0.006 -0.573 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.448 0.603 -2.983 1.00 0.00 C ATOM 0 H VAL A 26 29.745 -1.705 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 26 32.067 -2.061 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 26 29.715 -0.269 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 26 31.163 1.069 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.799 -0.572 0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.395 -0.210 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.264 1.629 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.522 0.423 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.016 0.448 -3.972 1.00 0.00 H new ATOM 358 N GLY A 27 28.941 -2.952 -1.327 1.00 0.00 N ATOM 359 CA GLY A 27 28.224 -4.085 -0.696 1.00 0.00 C ATOM 360 C GLY A 27 28.123 -5.379 -1.553 1.00 0.00 C ATOM 361 O GLY A 27 28.616 -5.410 -2.685 1.00 0.00 O ATOM 0 H GLY A 27 28.331 -2.268 -1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.723 -4.330 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 27 27.215 -3.758 -0.444 1.00 0.00 H new ATOM 365 N PRO A 28 27.469 -6.474 -1.079 1.00 0.00 N ATOM 366 CA PRO A 28 27.192 -7.665 -1.926 1.00 0.00 C ATOM 367 C PRO A 28 26.159 -7.462 -3.081 1.00 0.00 C ATOM 368 O PRO A 28 25.401 -6.490 -3.128 1.00 0.00 O ATOM 369 CB PRO A 28 26.707 -8.675 -0.862 1.00 0.00 C ATOM 370 CG PRO A 28 26.094 -7.823 0.246 1.00 0.00 C ATOM 371 CD PRO A 28 27.036 -6.631 0.323 1.00 0.00 C ATOM 0 HA PRO A 28 28.066 -7.972 -2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 28 25.974 -9.366 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 28 27.533 -9.277 -0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 28 25.076 -7.518 0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 28 26.048 -8.363 1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.532 -5.739 0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 28 27.878 -6.822 0.989 1.00 0.00 H new ATOM 379 N HIS A 29 26.070 -8.446 -3.986 1.00 0.00 N ATOM 380 CA HIS A 29 24.888 -8.598 -4.881 1.00 0.00 C ATOM 381 C HIS A 29 23.621 -9.048 -4.081 1.00 0.00 C ATOM 382 O HIS A 29 23.637 -10.052 -3.362 1.00 0.00 O ATOM 383 CB HIS A 29 25.210 -9.520 -6.091 1.00 0.00 C ATOM 384 CG HIS A 29 25.913 -10.854 -5.827 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.267 -11.030 -6.048 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.318 -12.054 -5.407 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.360 -12.373 -5.803 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.255 -13.071 -5.394 1.00 0.00 N ATOM 0 H HIS A 29 26.793 -9.152 -4.126 1.00 0.00 H new ATOM 0 HA HIS A 29 24.649 -7.621 -5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.272 -9.735 -6.602 1.00 0.00 H new ATOM 0 HB3 HIS A 29 25.828 -8.951 -6.786 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.279 -12.167 -5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.304 -12.882 -5.932 1.00 0.00 H new ATOM 0 HE2 HIS A 29 26.153 -14.056 -5.150 1.00 0.00 H new ATOM 396 N LEU A 30 22.526 -8.279 -4.202 1.00 0.00 N ATOM 397 CA LEU A 30 21.260 -8.542 -3.449 1.00 0.00 C ATOM 398 C LEU A 30 20.210 -9.434 -4.208 1.00 0.00 C ATOM 399 O LEU A 30 19.007 -9.357 -3.936 1.00 0.00 O ATOM 400 CB LEU A 30 20.676 -7.154 -3.037 1.00 0.00 C ATOM 401 CG LEU A 30 21.488 -6.265 -2.057 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.700 -4.983 -1.749 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.854 -6.949 -0.729 1.00 0.00 C ATOM 0 H LEU A 30 22.479 -7.464 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 30 21.497 -9.146 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.515 -6.579 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.696 -7.327 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 30 22.427 -6.050 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.272 -4.361 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.523 -4.434 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.745 -5.244 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.420 -6.256 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.943 -7.244 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.459 -7.833 -0.930 1.00 0.00 H new ATOM 415 N ASN A 31 20.674 -10.296 -5.132 1.00 0.00 N ATOM 416 CA ASN A 31 19.812 -11.128 -6.018 1.00 0.00 C ATOM 417 C ASN A 31 18.985 -12.217 -5.256 1.00 0.00 C ATOM 418 O ASN A 31 19.474 -13.296 -4.911 1.00 0.00 O ATOM 419 CB ASN A 31 20.644 -11.647 -7.226 1.00 0.00 C ATOM 420 CG ASN A 31 21.928 -12.466 -7.009 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.149 -13.144 -6.013 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.837 -12.423 -7.954 1.00 0.00 N ATOM 0 H ASN A 31 21.671 -10.442 -5.293 1.00 0.00 H new ATOM 0 HA ASN A 31 19.025 -10.495 -6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.976 -12.255 -7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.917 -10.777 -7.823 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.706 -12.947 -7.850 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.675 -11.865 -8.792 1.00 0.00 H new ATOM 429 N GLY A 32 17.727 -11.872 -4.935 1.00 0.00 N ATOM 430 CA GLY A 32 16.896 -12.661 -3.989 1.00 0.00 C ATOM 431 C GLY A 32 17.235 -12.547 -2.486 1.00 0.00 C ATOM 432 O GLY A 32 17.194 -13.559 -1.790 1.00 0.00 O ATOM 0 H GLY A 32 17.255 -11.051 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.856 -12.364 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.967 -13.711 -4.272 1.00 0.00 H new ATOM 436 N VAL A 33 17.518 -11.335 -1.973 1.00 0.00 N ATOM 437 CA VAL A 33 17.783 -11.111 -0.511 1.00 0.00 C ATOM 438 C VAL A 33 16.556 -11.260 0.468 1.00 0.00 C ATOM 439 O VAL A 33 16.756 -11.568 1.647 1.00 0.00 O ATOM 440 CB VAL A 33 18.633 -9.810 -0.296 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.864 -8.492 -0.518 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.310 -9.755 1.093 1.00 0.00 C ATOM 0 H VAL A 33 17.573 -10.487 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 33 18.384 -11.964 -0.198 1.00 0.00 H new ATOM 0 HB VAL A 33 19.393 -9.887 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.532 -7.648 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.490 -8.457 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.026 -8.438 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.883 -8.832 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.547 -9.785 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.977 -10.609 1.207 1.00 0.00 H new ATOM 452 N VAL A 34 15.309 -11.070 -0.002 1.00 0.00 N ATOM 453 CA VAL A 34 14.072 -11.241 0.821 1.00 0.00 C ATOM 454 C VAL A 34 13.827 -12.770 1.089 1.00 0.00 C ATOM 455 O VAL A 34 13.483 -13.530 0.179 1.00 0.00 O ATOM 456 CB VAL A 34 12.848 -10.525 0.144 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.578 -10.580 1.024 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.077 -9.034 -0.208 1.00 0.00 C ATOM 0 H VAL A 34 15.118 -10.793 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 34 14.201 -10.759 1.790 1.00 0.00 H new ATOM 0 HB VAL A 34 12.722 -11.089 -0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.760 -10.072 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.304 -11.620 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.774 -10.087 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.178 -8.627 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.302 -8.476 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 34 13.913 -8.948 -0.903 1.00 0.00 H new ATOM 468 N GLY A 35 14.059 -13.212 2.336 1.00 0.00 N ATOM 469 CA GLY A 35 14.219 -14.658 2.665 1.00 0.00 C ATOM 470 C GLY A 35 15.622 -15.300 2.478 1.00 0.00 C ATOM 471 O GLY A 35 15.694 -16.499 2.207 1.00 0.00 O ATOM 0 H GLY A 35 14.142 -12.594 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.924 -14.798 3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.511 -15.219 2.055 1.00 0.00 H new ATOM 475 N ARG A 36 16.718 -14.540 2.652 1.00 0.00 N ATOM 476 CA ARG A 36 18.111 -15.031 2.430 1.00 0.00 C ATOM 477 C ARG A 36 19.037 -14.648 3.628 1.00 0.00 C ATOM 478 O ARG A 36 18.828 -13.615 4.275 1.00 0.00 O ATOM 479 CB ARG A 36 18.634 -14.383 1.120 1.00 0.00 C ATOM 480 CG ARG A 36 19.705 -15.192 0.349 1.00 0.00 C ATOM 481 CD ARG A 36 20.627 -14.333 -0.550 1.00 0.00 C ATOM 482 NE ARG A 36 21.652 -13.581 0.241 1.00 0.00 N ATOM 483 CZ ARG A 36 22.754 -14.108 0.779 1.00 0.00 C ATOM 484 NH1 ARG A 36 23.120 -15.349 0.596 1.00 0.00 N ATOM 485 NH2 ARG A 36 23.512 -13.359 1.526 1.00 0.00 N ATOM 0 H ARG A 36 16.674 -13.566 2.951 1.00 0.00 H new ATOM 0 HA ARG A 36 18.114 -16.118 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 36 17.786 -14.214 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.049 -13.404 1.362 1.00 0.00 H new ATOM 0 HG2 ARG A 36 20.320 -15.735 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 36 19.205 -15.937 -0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.129 -14.977 -1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.021 -13.628 -1.119 1.00 0.00 H new ATOM 0 HE ARG A 36 21.495 -12.583 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 36 22.553 -15.968 0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.973 -15.699 1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 36 23.260 -12.385 1.693 1.00 0.00 H new ATOM 0 HH22 ARG A 36 24.358 -13.746 1.945 1.00 0.00 H new ATOM 499 N THR A 37 20.081 -15.452 3.926 1.00 0.00 N ATOM 500 CA THR A 37 20.841 -15.308 5.204 1.00 0.00 C ATOM 501 C THR A 37 21.571 -13.944 5.452 1.00 0.00 C ATOM 502 O THR A 37 22.032 -13.260 4.529 1.00 0.00 O ATOM 503 CB THR A 37 21.706 -16.568 5.526 1.00 0.00 C ATOM 504 OG1 THR A 37 21.739 -16.758 6.940 1.00 0.00 O ATOM 505 CG2 THR A 37 23.165 -16.490 5.051 1.00 0.00 C ATOM 0 H THR A 37 20.418 -16.197 3.316 1.00 0.00 H new ATOM 0 HA THR A 37 20.056 -15.258 5.958 1.00 0.00 H new ATOM 0 HB THR A 37 21.232 -17.388 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.823 -16.810 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.685 -17.410 5.320 1.00 0.00 H new ATOM 0 HG22 THR A 37 23.189 -16.362 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.658 -15.642 5.527 1.00 0.00 H new ATOM 513 N VAL A 38 21.707 -13.603 6.743 1.00 0.00 N ATOM 514 CA VAL A 38 22.471 -12.412 7.193 1.00 0.00 C ATOM 515 C VAL A 38 23.975 -12.825 7.351 1.00 0.00 C ATOM 516 O VAL A 38 24.327 -13.552 8.283 1.00 0.00 O ATOM 517 CB VAL A 38 21.850 -11.806 8.503 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.496 -10.450 8.877 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.314 -11.625 8.507 1.00 0.00 C ATOM 0 H VAL A 38 21.295 -14.138 7.507 1.00 0.00 H new ATOM 0 HA VAL A 38 22.413 -11.614 6.452 1.00 0.00 H new ATOM 0 HB VAL A 38 22.077 -12.571 9.245 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.037 -10.067 9.788 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.565 -10.589 9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.342 -9.738 8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.000 -11.200 9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.025 -10.954 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.833 -12.593 8.365 1.00 0.00 H new ATOM 529 N ALA A 39 24.833 -12.385 6.407 1.00 0.00 N ATOM 530 CA ALA A 39 26.242 -12.857 6.255 1.00 0.00 C ATOM 531 C ALA A 39 26.367 -14.253 5.564 1.00 0.00 C ATOM 532 O ALA A 39 26.232 -15.297 6.208 1.00 0.00 O ATOM 533 CB ALA A 39 27.123 -12.759 7.516 1.00 0.00 C ATOM 0 H ALA A 39 24.571 -11.682 5.715 1.00 0.00 H new ATOM 0 HA ALA A 39 26.661 -12.120 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 39 28.123 -13.128 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.184 -11.719 7.837 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.686 -13.360 8.313 1.00 0.00 H new ATOM 539 N GLY A 40 26.654 -14.264 4.251 1.00 0.00 N ATOM 540 CA GLY A 40 26.960 -15.520 3.518 1.00 0.00 C ATOM 541 C GLY A 40 26.717 -15.406 2.007 1.00 0.00 C ATOM 542 O GLY A 40 25.645 -15.794 1.537 1.00 0.00 O ATOM 0 H GLY A 40 26.682 -13.425 3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 40 28.001 -15.793 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.347 -16.327 3.919 1.00 0.00 H new ATOM 546 N VAL A 41 27.684 -14.866 1.248 1.00 0.00 N ATOM 547 CA VAL A 41 27.606 -14.781 -0.243 1.00 0.00 C ATOM 548 C VAL A 41 29.044 -14.649 -0.844 1.00 0.00 C ATOM 549 O VAL A 41 29.873 -13.882 -0.339 1.00 0.00 O ATOM 550 CB VAL A 41 26.600 -13.667 -0.743 1.00 0.00 C ATOM 551 CG1 VAL A 41 27.204 -12.301 -1.149 1.00 0.00 C ATOM 552 CG2 VAL A 41 25.717 -14.158 -1.908 1.00 0.00 C ATOM 0 H VAL A 41 28.543 -14.474 1.635 1.00 0.00 H new ATOM 0 HA VAL A 41 27.180 -15.711 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 41 26.017 -13.487 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 41 26.406 -11.632 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 41 27.722 -11.864 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.910 -12.444 -1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 41 25.043 -13.358 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 41 26.349 -14.444 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.133 -15.019 -1.584 1.00 0.00 H new ATOM 562 N ASP A 42 29.306 -15.318 -1.986 1.00 0.00 N ATOM 563 CA ASP A 42 30.526 -15.073 -2.818 1.00 0.00 C ATOM 564 C ASP A 42 31.886 -15.348 -2.079 1.00 0.00 C ATOM 565 O ASP A 42 31.957 -16.163 -1.155 1.00 0.00 O ATOM 566 CB ASP A 42 30.306 -13.717 -3.575 1.00 0.00 C ATOM 567 CG ASP A 42 31.045 -13.571 -4.901 1.00 0.00 C ATOM 568 OD1 ASP A 42 30.609 -13.975 -5.972 1.00 0.00 O ATOM 569 OD2 ASP A 42 32.245 -12.944 -4.758 1.00 0.00 O ATOM 0 H ASP A 42 28.691 -16.039 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 42 30.655 -15.826 -3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 42 29.239 -13.595 -3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 42 30.611 -12.902 -2.919 1.00 0.00 H new ATOM 574 N GLY A 43 32.953 -14.640 -2.461 1.00 0.00 N ATOM 575 CA GLY A 43 34.058 -14.329 -1.514 1.00 0.00 C ATOM 576 C GLY A 43 33.940 -12.959 -0.803 1.00 0.00 C ATOM 577 O GLY A 43 34.955 -12.278 -0.645 1.00 0.00 O ATOM 0 H GLY A 43 33.086 -14.271 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.100 -15.112 -0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.002 -14.360 -2.057 1.00 0.00 H new ATOM 581 N PHE A 44 32.731 -12.559 -0.358 1.00 0.00 N ATOM 582 CA PHE A 44 32.529 -11.257 0.336 1.00 0.00 C ATOM 583 C PHE A 44 32.791 -11.382 1.874 1.00 0.00 C ATOM 584 O PHE A 44 32.107 -12.130 2.582 1.00 0.00 O ATOM 585 CB PHE A 44 31.112 -10.704 -0.002 1.00 0.00 C ATOM 586 CG PHE A 44 30.902 -9.224 0.387 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.207 -8.198 -0.514 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.496 -8.893 1.683 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.120 -6.865 -0.117 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.420 -7.563 2.085 1.00 0.00 C ATOM 591 CZ PHE A 44 30.735 -6.550 1.186 1.00 0.00 C ATOM 0 H PHE A 44 31.880 -13.111 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 44 33.260 -10.534 -0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.936 -10.816 -1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.365 -11.312 0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.511 -8.440 -1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.239 -9.677 2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.351 -6.076 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.117 -7.318 3.092 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.681 -5.517 1.497 1.00 0.00 H new ATOM 601 N ASN A 45 33.746 -10.589 2.394 1.00 0.00 N ATOM 602 CA ASN A 45 33.983 -10.462 3.857 1.00 0.00 C ATOM 603 C ASN A 45 32.897 -9.554 4.527 1.00 0.00 C ATOM 604 O ASN A 45 32.858 -8.341 4.302 1.00 0.00 O ATOM 605 CB ASN A 45 35.430 -9.928 4.046 1.00 0.00 C ATOM 606 CG ASN A 45 35.906 -9.838 5.502 1.00 0.00 C ATOM 607 OD1 ASN A 45 35.755 -8.821 6.171 1.00 0.00 O ATOM 608 ND2 ASN A 45 36.483 -10.883 6.044 1.00 0.00 N ATOM 0 H ASN A 45 34.373 -10.021 1.825 1.00 0.00 H new ATOM 0 HA ASN A 45 33.893 -11.427 4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 45 36.114 -10.574 3.496 1.00 0.00 H new ATOM 0 HB3 ASN A 45 35.497 -8.937 3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.801 -10.845 7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.614 -11.734 5.497 1.00 0.00 H new ATOM 615 N TYR A 46 32.038 -10.153 5.363 1.00 0.00 N ATOM 616 CA TYR A 46 31.013 -9.404 6.143 1.00 0.00 C ATOM 617 C TYR A 46 31.525 -9.008 7.572 1.00 0.00 C ATOM 618 O TYR A 46 32.472 -9.590 8.115 1.00 0.00 O ATOM 619 CB TYR A 46 29.722 -10.270 6.227 1.00 0.00 C ATOM 620 CG TYR A 46 28.894 -10.398 4.937 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.862 -9.491 4.675 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.105 -11.467 4.061 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.015 -9.686 3.588 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.281 -11.635 2.950 1.00 0.00 C ATOM 625 CZ TYR A 46 27.213 -10.769 2.736 1.00 0.00 C ATOM 626 OH TYR A 46 26.335 -11.026 1.717 1.00 0.00 O ATOM 0 H TYR A 46 32.024 -11.160 5.525 1.00 0.00 H new ATOM 0 HA TYR A 46 30.798 -8.467 5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.004 -11.272 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.081 -9.852 7.003 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.722 -8.635 5.319 1.00 0.00 H new ATOM 0 HD2 TYR A 46 29.909 -12.164 4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.204 -8.997 3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.471 -12.439 2.254 1.00 0.00 H new ATOM 0 HH TYR A 46 25.564 -10.426 1.791 1.00 0.00 H new ATOM 636 N SER A 47 30.858 -8.026 8.210 1.00 0.00 N ATOM 637 CA SER A 47 31.206 -7.587 9.591 1.00 0.00 C ATOM 638 C SER A 47 30.884 -8.632 10.713 1.00 0.00 C ATOM 639 O SER A 47 29.981 -9.467 10.575 1.00 0.00 O ATOM 640 CB SER A 47 30.497 -6.231 9.838 1.00 0.00 C ATOM 641 OG SER A 47 29.097 -6.390 10.073 1.00 0.00 O ATOM 0 H SER A 47 30.075 -7.518 7.798 1.00 0.00 H new ATOM 0 HA SER A 47 32.289 -7.482 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.954 -5.735 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 47 30.648 -5.582 8.976 1.00 0.00 H new ATOM 0 HG SER A 47 28.598 -6.120 9.274 1.00 0.00 H new ATOM 647 N ASP A 48 31.581 -8.528 11.860 1.00 0.00 N ATOM 648 CA ASP A 48 31.294 -9.355 13.072 1.00 0.00 C ATOM 649 C ASP A 48 29.816 -9.306 13.621 1.00 0.00 C ATOM 650 O ASP A 48 29.287 -10.401 13.834 1.00 0.00 O ATOM 651 CB ASP A 48 32.330 -9.047 14.186 1.00 0.00 C ATOM 652 CG ASP A 48 33.770 -9.455 13.870 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.212 -10.586 14.040 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.504 -8.422 13.372 1.00 0.00 O ATOM 0 H ASP A 48 32.356 -7.876 11.984 1.00 0.00 H new ATOM 0 HA ASP A 48 31.396 -10.387 12.736 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.310 -7.977 14.392 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.018 -9.554 15.099 1.00 0.00 H new ATOM 659 N PRO A 49 29.087 -8.163 13.829 1.00 0.00 N ATOM 660 CA PRO A 49 27.634 -8.188 14.175 1.00 0.00 C ATOM 661 C PRO A 49 26.647 -8.712 13.075 1.00 0.00 C ATOM 662 O PRO A 49 25.600 -9.262 13.418 1.00 0.00 O ATOM 663 CB PRO A 49 27.385 -6.732 14.610 1.00 0.00 C ATOM 664 CG PRO A 49 28.386 -5.902 13.809 1.00 0.00 C ATOM 665 CD PRO A 49 29.607 -6.796 13.631 1.00 0.00 C ATOM 0 HA PRO A 49 27.420 -8.930 14.944 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.360 -6.427 14.398 1.00 0.00 H new ATOM 0 HB3 PRO A 49 27.539 -6.609 15.682 1.00 0.00 H new ATOM 0 HG2 PRO A 49 27.970 -5.609 12.845 1.00 0.00 H new ATOM 0 HG3 PRO A 49 28.645 -4.984 14.336 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.047 -6.677 12.641 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.385 -6.557 14.356 1.00 0.00 H new ATOM 673 N MET A 50 26.978 -8.586 11.773 1.00 0.00 N ATOM 674 CA MET A 50 26.269 -9.315 10.678 1.00 0.00 C ATOM 675 C MET A 50 26.426 -10.877 10.756 1.00 0.00 C ATOM 676 O MET A 50 25.423 -11.596 10.728 1.00 0.00 O ATOM 677 CB MET A 50 26.753 -8.717 9.327 1.00 0.00 C ATOM 678 CG MET A 50 25.910 -9.102 8.095 1.00 0.00 C ATOM 679 SD MET A 50 24.472 -8.028 7.909 1.00 0.00 S ATOM 680 CE MET A 50 25.205 -6.677 6.976 1.00 0.00 C ATOM 0 H MET A 50 27.734 -7.986 11.444 1.00 0.00 H new ATOM 0 HA MET A 50 25.194 -9.168 10.783 1.00 0.00 H new ATOM 0 HB2 MET A 50 26.765 -7.630 9.413 1.00 0.00 H new ATOM 0 HB3 MET A 50 27.782 -9.034 9.156 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.527 -9.042 7.199 1.00 0.00 H new ATOM 0 HG3 MET A 50 25.582 -10.137 8.188 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.427 -6.155 6.419 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.688 -5.981 7.662 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.945 -7.074 6.281 1.00 0.00 H new ATOM 690 N LYS A 51 27.667 -11.384 10.899 1.00 0.00 N ATOM 691 CA LYS A 51 27.951 -12.819 11.201 1.00 0.00 C ATOM 692 C LYS A 51 27.357 -13.358 12.549 1.00 0.00 C ATOM 693 O LYS A 51 26.789 -14.453 12.557 1.00 0.00 O ATOM 694 CB LYS A 51 29.494 -13.016 11.122 1.00 0.00 C ATOM 695 CG LYS A 51 30.088 -13.006 9.691 1.00 0.00 C ATOM 696 CD LYS A 51 31.608 -12.761 9.662 1.00 0.00 C ATOM 697 CE LYS A 51 32.209 -13.003 8.265 1.00 0.00 C ATOM 698 NZ LYS A 51 33.540 -12.377 8.164 1.00 0.00 N ATOM 0 H LYS A 51 28.509 -10.816 10.810 1.00 0.00 H new ATOM 0 HA LYS A 51 27.433 -13.422 10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 51 29.975 -12.229 11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.748 -13.964 11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 51 29.872 -13.959 9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.591 -12.233 9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 51 31.815 -11.737 9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.094 -13.418 10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.288 -14.074 8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.548 -12.593 7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.018 -12.714 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.435 -11.343 8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.108 -12.632 8.997 1.00 0.00 H new ATOM 711 N ALA A 52 27.442 -12.600 13.661 1.00 0.00 N ATOM 712 CA ALA A 52 26.705 -12.915 14.919 1.00 0.00 C ATOM 713 C ALA A 52 25.138 -12.858 14.886 1.00 0.00 C ATOM 714 O ALA A 52 24.502 -13.571 15.667 1.00 0.00 O ATOM 715 CB ALA A 52 27.282 -11.996 16.011 1.00 0.00 C ATOM 0 H ALA A 52 28.015 -11.759 13.721 1.00 0.00 H new ATOM 0 HA ALA A 52 26.868 -13.975 15.114 1.00 0.00 H new ATOM 0 HB1 ALA A 52 26.773 -12.189 16.955 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.348 -12.193 16.126 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.134 -10.954 15.726 1.00 0.00 H new ATOM 721 N HIS A 53 24.512 -12.067 13.990 1.00 0.00 N ATOM 722 CA HIS A 53 23.057 -12.175 13.678 1.00 0.00 C ATOM 723 C HIS A 53 22.701 -13.532 12.974 1.00 0.00 C ATOM 724 O HIS A 53 22.021 -14.360 13.588 1.00 0.00 O ATOM 725 CB HIS A 53 22.629 -10.876 12.922 1.00 0.00 C ATOM 726 CG HIS A 53 21.133 -10.636 12.642 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.169 -11.625 12.493 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.578 -9.379 12.328 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.109 -10.869 12.081 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.248 -9.512 11.961 1.00 0.00 N ATOM 0 H HIS A 53 24.990 -11.338 13.461 1.00 0.00 H new ATOM 0 HA HIS A 53 22.460 -12.224 14.588 1.00 0.00 H new ATOM 0 HB2 HIS A 53 22.998 -10.025 13.494 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.149 -10.865 11.964 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.114 -8.442 12.368 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.165 -11.340 11.851 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.569 -8.804 11.682 1.00 0.00 H new ATOM 738 N GLY A 54 23.128 -13.768 11.714 1.00 0.00 N ATOM 739 CA GLY A 54 22.721 -14.985 10.956 1.00 0.00 C ATOM 740 C GLY A 54 21.215 -15.090 10.597 1.00 0.00 C ATOM 741 O GLY A 54 20.480 -14.100 10.561 1.00 0.00 O ATOM 0 H GLY A 54 23.748 -13.143 11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.298 -15.023 10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.997 -15.862 11.541 1.00 0.00 H new ATOM 745 N GLY A 55 20.737 -16.311 10.321 1.00 0.00 N ATOM 746 CA GLY A 55 19.283 -16.550 10.103 1.00 0.00 C ATOM 747 C GLY A 55 18.806 -16.151 8.696 1.00 0.00 C ATOM 748 O GLY A 55 19.280 -16.752 7.727 1.00 0.00 O ATOM 0 H GLY A 55 21.318 -17.146 10.242 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.067 -17.606 10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.714 -15.989 10.845 1.00 0.00 H new ATOM 752 N ASP A 56 17.898 -15.160 8.580 1.00 0.00 N ATOM 753 CA ASP A 56 17.399 -14.671 7.263 1.00 0.00 C ATOM 754 C ASP A 56 16.886 -13.196 7.291 1.00 0.00 C ATOM 755 O ASP A 56 16.308 -12.716 8.272 1.00 0.00 O ATOM 756 CB ASP A 56 16.275 -15.589 6.694 1.00 0.00 C ATOM 757 CG ASP A 56 16.724 -16.925 6.106 1.00 0.00 C ATOM 758 OD1 ASP A 56 17.419 -17.031 5.101 1.00 0.00 O ATOM 759 OD2 ASP A 56 16.270 -17.988 6.825 1.00 0.00 O ATOM 0 H ASP A 56 17.490 -14.677 9.381 1.00 0.00 H new ATOM 0 HA ASP A 56 18.270 -14.704 6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.561 -15.790 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.742 -15.037 5.920 1.00 0.00 H new ATOM 764 N TRP A 57 17.022 -12.512 6.138 1.00 0.00 N ATOM 765 CA TRP A 57 16.428 -11.171 5.905 1.00 0.00 C ATOM 766 C TRP A 57 14.932 -11.242 5.462 1.00 0.00 C ATOM 767 O TRP A 57 14.608 -11.254 4.272 1.00 0.00 O ATOM 768 CB TRP A 57 17.317 -10.395 4.883 1.00 0.00 C ATOM 769 CG TRP A 57 18.531 -9.658 5.462 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.872 -9.850 5.062 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.582 -8.775 6.535 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.760 -9.115 5.873 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.944 -8.503 6.806 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.568 -8.279 7.403 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.308 -7.837 7.997 1.00 0.00 C ATOM 776 CZ3 TRP A 57 17.953 -7.597 8.555 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.303 -7.396 8.856 1.00 0.00 C ATOM 0 H TRP A 57 17.546 -12.869 5.339 1.00 0.00 H new ATOM 0 HA TRP A 57 16.414 -10.626 6.849 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.671 -11.101 4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.690 -9.668 4.366 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.178 -10.480 4.240 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.775 -9.050 5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.523 -8.428 7.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.348 -7.672 8.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.197 -7.218 9.226 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.572 -6.890 9.771 1.00 0.00 H new ATOM 788 N THR A 58 14.014 -11.251 6.443 1.00 0.00 N ATOM 789 CA THR A 58 12.540 -11.288 6.189 1.00 0.00 C ATOM 790 C THR A 58 11.956 -9.899 5.703 1.00 0.00 C ATOM 791 O THR A 58 12.541 -8.862 6.048 1.00 0.00 O ATOM 792 CB THR A 58 11.852 -11.932 7.452 1.00 0.00 C ATOM 793 OG1 THR A 58 10.937 -12.934 7.030 1.00 0.00 O ATOM 794 CG2 THR A 58 11.077 -11.033 8.427 1.00 0.00 C ATOM 0 H THR A 58 14.257 -11.233 7.433 1.00 0.00 H new ATOM 0 HA THR A 58 12.309 -11.923 5.334 1.00 0.00 H new ATOM 0 HB THR A 58 12.717 -12.283 8.015 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.509 -13.337 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.670 -11.640 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.749 -10.280 8.840 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.262 -10.540 7.898 1.00 0.00 H new ATOM 802 N PRO A 59 10.793 -9.785 4.981 1.00 0.00 N ATOM 803 CA PRO A 59 10.197 -8.458 4.590 1.00 0.00 C ATOM 804 C PRO A 59 9.641 -7.483 5.701 1.00 0.00 C ATOM 805 O PRO A 59 8.974 -6.491 5.394 1.00 0.00 O ATOM 806 CB PRO A 59 9.111 -8.912 3.590 1.00 0.00 C ATOM 807 CG PRO A 59 8.691 -10.310 4.037 1.00 0.00 C ATOM 808 CD PRO A 59 9.986 -10.943 4.540 1.00 0.00 C ATOM 0 HA PRO A 59 10.979 -7.797 4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.262 -8.228 3.597 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.499 -8.927 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.936 -10.268 4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.262 -10.880 3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.801 -11.637 5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.489 -11.505 3.753 1.00 0.00 H new ATOM 816 N GLU A 60 9.977 -7.748 6.969 1.00 0.00 N ATOM 817 CA GLU A 60 9.772 -6.840 8.132 1.00 0.00 C ATOM 818 C GLU A 60 11.128 -6.537 8.867 1.00 0.00 C ATOM 819 O GLU A 60 11.390 -5.370 9.173 1.00 0.00 O ATOM 820 CB GLU A 60 8.684 -7.457 9.052 1.00 0.00 C ATOM 821 CG GLU A 60 8.190 -6.519 10.182 1.00 0.00 C ATOM 822 CD GLU A 60 7.146 -7.156 11.096 1.00 0.00 C ATOM 823 OE1 GLU A 60 5.891 -7.106 10.558 1.00 0.00 O ATOM 824 OE2 GLU A 60 7.415 -7.652 12.186 1.00 0.00 O ATOM 0 H GLU A 60 10.416 -8.629 7.236 1.00 0.00 H new ATOM 0 HA GLU A 60 9.414 -5.866 7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.831 -7.748 8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.080 -8.368 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.044 -6.207 10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.768 -5.618 9.736 1.00 0.00 H new ATOM 831 N ALA A 61 12.017 -7.536 9.099 1.00 0.00 N ATOM 832 CA ALA A 61 13.443 -7.289 9.459 1.00 0.00 C ATOM 833 C ALA A 61 14.248 -6.371 8.479 1.00 0.00 C ATOM 834 O ALA A 61 14.909 -5.442 8.946 1.00 0.00 O ATOM 835 CB ALA A 61 14.109 -8.666 9.647 1.00 0.00 C ATOM 0 H ALA A 61 11.773 -8.525 9.044 1.00 0.00 H new ATOM 0 HA ALA A 61 13.455 -6.705 10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.157 -8.530 9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.601 -9.210 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.040 -9.233 8.719 1.00 0.00 H new ATOM 841 N LEU A 62 14.125 -6.552 7.145 1.00 0.00 N ATOM 842 CA LEU A 62 14.541 -5.519 6.147 1.00 0.00 C ATOM 843 C LEU A 62 13.836 -4.128 6.252 1.00 0.00 C ATOM 844 O LEU A 62 14.488 -3.132 5.955 1.00 0.00 O ATOM 845 CB LEU A 62 14.364 -6.047 4.700 1.00 0.00 C ATOM 846 CG LEU A 62 15.284 -7.207 4.250 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.759 -7.839 2.953 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.727 -6.717 4.029 1.00 0.00 C ATOM 0 H LEU A 62 13.742 -7.400 6.727 1.00 0.00 H new ATOM 0 HA LEU A 62 15.588 -5.343 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.330 -6.372 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.515 -5.212 4.016 1.00 0.00 H new ATOM 0 HG LEU A 62 15.283 -7.954 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.419 -8.653 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.755 -8.228 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.731 -7.085 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.351 -7.553 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.736 -5.947 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.117 -6.304 4.959 1.00 0.00 H new ATOM 860 N GLN A 63 12.556 -4.013 6.654 1.00 0.00 N ATOM 861 CA GLN A 63 11.929 -2.681 6.928 1.00 0.00 C ATOM 862 C GLN A 63 12.523 -1.910 8.150 1.00 0.00 C ATOM 863 O GLN A 63 12.809 -0.715 8.021 1.00 0.00 O ATOM 864 CB GLN A 63 10.380 -2.769 7.003 1.00 0.00 C ATOM 865 CG GLN A 63 9.693 -3.102 5.654 1.00 0.00 C ATOM 866 CD GLN A 63 8.194 -2.805 5.580 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.715 -1.747 5.977 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.421 -3.699 5.016 1.00 0.00 N ATOM 0 H GLN A 63 11.933 -4.808 6.798 1.00 0.00 H new ATOM 0 HA GLN A 63 12.194 -2.075 6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.106 -3.530 7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.991 -1.819 7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.195 -2.543 4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.846 -4.160 5.441 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.816 -4.579 4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.424 -3.515 4.908 1.00 0.00 H new ATOM 877 N GLU A 64 12.756 -2.568 9.300 1.00 0.00 N ATOM 878 CA GLU A 64 13.543 -1.973 10.420 1.00 0.00 C ATOM 879 C GLU A 64 15.055 -1.727 10.082 1.00 0.00 C ATOM 880 O GLU A 64 15.565 -0.641 10.361 1.00 0.00 O ATOM 881 CB GLU A 64 13.366 -2.848 11.695 1.00 0.00 C ATOM 882 CG GLU A 64 11.939 -2.950 12.295 1.00 0.00 C ATOM 883 CD GLU A 64 11.383 -1.646 12.867 1.00 0.00 C ATOM 884 OE1 GLU A 64 11.600 -1.253 14.008 1.00 0.00 O ATOM 885 OE2 GLU A 64 10.618 -0.966 11.968 1.00 0.00 O ATOM 0 H GLU A 64 12.415 -3.511 9.488 1.00 0.00 H new ATOM 0 HA GLU A 64 13.143 -0.976 10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.707 -3.857 11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.029 -2.458 12.467 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.260 -3.308 11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.946 -3.701 13.085 1.00 0.00 H new ATOM 892 N PHE A 65 15.750 -2.691 9.443 1.00 0.00 N ATOM 893 CA PHE A 65 17.135 -2.508 8.924 1.00 0.00 C ATOM 894 C PHE A 65 17.285 -1.425 7.816 1.00 0.00 C ATOM 895 O PHE A 65 18.140 -0.558 7.969 1.00 0.00 O ATOM 896 CB PHE A 65 17.631 -3.904 8.479 1.00 0.00 C ATOM 897 CG PHE A 65 19.069 -4.030 7.955 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.163 -3.831 8.805 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.285 -4.536 6.669 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.441 -4.199 8.398 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.562 -4.929 6.280 1.00 0.00 C ATOM 902 CZ PHE A 65 21.629 -4.803 7.160 1.00 0.00 C ATOM 0 H PHE A 65 15.372 -3.622 9.269 1.00 0.00 H new ATOM 0 HA PHE A 65 17.761 -2.105 9.720 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.525 -4.581 9.327 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.960 -4.263 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.014 -3.390 9.780 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.460 -4.622 5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.287 -4.016 9.044 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.724 -5.333 5.292 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.605 -5.174 6.883 1.00 0.00 H new ATOM 912 N LEU A 66 16.471 -1.398 6.744 1.00 0.00 N ATOM 913 CA LEU A 66 16.469 -0.238 5.805 1.00 0.00 C ATOM 914 C LEU A 66 16.020 1.135 6.404 1.00 0.00 C ATOM 915 O LEU A 66 16.503 2.152 5.913 1.00 0.00 O ATOM 916 CB LEU A 66 15.720 -0.584 4.491 1.00 0.00 C ATOM 917 CG LEU A 66 16.284 -1.759 3.641 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.429 -1.964 2.380 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.763 -1.568 3.260 1.00 0.00 C ATOM 0 H LEU A 66 15.817 -2.143 6.502 1.00 0.00 H new ATOM 0 HA LEU A 66 17.522 -0.070 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.685 -0.815 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.704 0.309 3.866 1.00 0.00 H new ATOM 0 HG LEU A 66 16.233 -2.651 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.835 -2.789 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.404 -2.195 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.441 -1.054 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.099 -2.419 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.873 -0.654 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.365 -1.495 4.165 1.00 0.00 H new ATOM 931 N THR A 67 15.188 1.198 7.463 1.00 0.00 N ATOM 932 CA THR A 67 14.977 2.455 8.257 1.00 0.00 C ATOM 933 C THR A 67 16.210 2.921 9.112 1.00 0.00 C ATOM 934 O THR A 67 16.483 4.119 9.174 1.00 0.00 O ATOM 935 CB THR A 67 13.718 2.364 9.182 1.00 0.00 C ATOM 936 OG1 THR A 67 12.619 1.726 8.551 1.00 0.00 O ATOM 937 CG2 THR A 67 13.182 3.748 9.591 1.00 0.00 C ATOM 0 H THR A 67 14.646 0.402 7.799 1.00 0.00 H new ATOM 0 HA THR A 67 14.824 3.213 7.489 1.00 0.00 H new ATOM 0 HB THR A 67 14.074 1.797 10.042 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.646 0.765 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.309 3.625 10.232 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.956 4.292 10.132 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.901 4.308 8.699 1.00 0.00 H new ATOM 945 N ASN A 68 16.892 2.006 9.823 1.00 0.00 N ATOM 946 CA ASN A 68 18.002 2.323 10.756 1.00 0.00 C ATOM 947 C ASN A 68 18.993 1.098 10.708 1.00 0.00 C ATOM 948 O ASN A 68 18.880 0.199 11.550 1.00 0.00 O ATOM 949 CB ASN A 68 17.439 2.638 12.170 1.00 0.00 C ATOM 950 CG ASN A 68 16.932 4.067 12.383 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.697 5.021 12.437 1.00 0.00 O ATOM 952 ND2 ASN A 68 15.646 4.267 12.541 1.00 0.00 N ATOM 0 H ASN A 68 16.689 1.008 9.769 1.00 0.00 H new ATOM 0 HA ASN A 68 18.550 3.221 10.470 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.621 1.948 12.377 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.219 2.436 12.904 1.00 0.00 H new ATOM 0 HD21 ASN A 68 15.293 5.210 12.707 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.998 3.480 12.498 1.00 0.00 H new ATOM 959 N PRO A 69 19.975 1.006 9.755 1.00 0.00 N ATOM 960 CA PRO A 69 20.877 -0.180 9.605 1.00 0.00 C ATOM 961 C PRO A 69 21.713 -0.613 10.838 1.00 0.00 C ATOM 962 O PRO A 69 21.773 -1.803 11.162 1.00 0.00 O ATOM 963 CB PRO A 69 21.750 0.204 8.388 1.00 0.00 C ATOM 964 CG PRO A 69 20.898 1.177 7.575 1.00 0.00 C ATOM 965 CD PRO A 69 20.066 1.923 8.610 1.00 0.00 C ATOM 0 HA PRO A 69 20.282 -1.084 9.477 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.684 0.668 8.704 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.014 -0.675 7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.520 1.862 6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.263 0.648 6.864 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.539 2.863 8.894 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.078 2.168 8.220 1.00 0.00 H new ATOM 973 N LYS A 70 22.289 0.371 11.544 1.00 0.00 N ATOM 974 CA LYS A 70 22.926 0.136 12.872 1.00 0.00 C ATOM 975 C LYS A 70 21.981 0.007 14.124 1.00 0.00 C ATOM 976 O LYS A 70 22.469 -0.326 15.204 1.00 0.00 O ATOM 977 CB LYS A 70 24.094 1.137 13.070 1.00 0.00 C ATOM 978 CG LYS A 70 23.686 2.615 13.253 1.00 0.00 C ATOM 979 CD LYS A 70 24.848 3.568 13.602 1.00 0.00 C ATOM 980 CE LYS A 70 25.822 3.823 12.438 1.00 0.00 C ATOM 981 NZ LYS A 70 26.857 4.792 12.851 1.00 0.00 N ATOM 0 H LYS A 70 22.333 1.340 11.228 1.00 0.00 H new ATOM 0 HA LYS A 70 23.313 -0.882 12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.669 0.827 13.942 1.00 0.00 H new ATOM 0 HB3 LYS A 70 24.758 1.067 12.209 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.212 2.963 12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 70 22.936 2.675 14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.435 4.521 13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 70 25.404 3.153 14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.289 2.887 12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.278 4.205 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.511 4.959 12.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 26.405 5.688 13.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 27.385 4.411 13.662 1.00 0.00 H new ATOM 994 N ALA A 71 20.654 0.209 14.018 1.00 0.00 N ATOM 995 CA ALA A 71 19.689 -0.282 15.044 1.00 0.00 C ATOM 996 C ALA A 71 19.429 -1.826 15.016 1.00 0.00 C ATOM 997 O ALA A 71 19.354 -2.443 16.081 1.00 0.00 O ATOM 998 CB ALA A 71 18.394 0.532 14.889 1.00 0.00 C ATOM 0 H ALA A 71 20.219 0.705 13.240 1.00 0.00 H new ATOM 0 HA ALA A 71 20.130 -0.127 16.029 1.00 0.00 H new ATOM 0 HB1 ALA A 71 17.664 0.198 15.626 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.608 1.589 15.044 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.990 0.386 13.887 1.00 0.00 H new ATOM 1004 N VAL A 72 19.311 -2.451 13.825 1.00 0.00 N ATOM 1005 CA VAL A 72 19.223 -3.936 13.686 1.00 0.00 C ATOM 1006 C VAL A 72 20.646 -4.608 13.732 1.00 0.00 C ATOM 1007 O VAL A 72 20.853 -5.494 14.565 1.00 0.00 O ATOM 1008 CB VAL A 72 18.332 -4.297 12.443 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.317 -5.802 12.105 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.848 -3.867 12.573 1.00 0.00 C ATOM 0 H VAL A 72 19.274 -1.953 12.935 1.00 0.00 H new ATOM 0 HA VAL A 72 18.714 -4.370 14.546 1.00 0.00 H new ATOM 0 HB VAL A 72 18.816 -3.729 11.649 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.681 -5.974 11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.331 -6.135 11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.928 -6.362 12.955 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.306 -4.154 11.672 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.401 -4.358 13.438 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.792 -2.786 12.701 1.00 0.00 H new ATOM 1020 N VAL A 73 21.612 -4.226 12.866 1.00 0.00 N ATOM 1021 CA VAL A 73 23.011 -4.766 12.923 1.00 0.00 C ATOM 1022 C VAL A 73 23.931 -3.664 13.554 1.00 0.00 C ATOM 1023 O VAL A 73 24.548 -2.875 12.830 1.00 0.00 O ATOM 1024 CB VAL A 73 23.516 -5.229 11.510 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.957 -5.786 11.530 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.658 -6.333 10.849 1.00 0.00 C ATOM 0 H VAL A 73 21.460 -3.549 12.118 1.00 0.00 H new ATOM 0 HA VAL A 73 23.039 -5.660 13.546 1.00 0.00 H new ATOM 0 HB VAL A 73 23.449 -4.305 10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.244 -6.088 10.523 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.640 -5.015 11.887 1.00 0.00 H new ATOM 0 HG13 VAL A 73 25.004 -6.649 12.195 1.00 0.00 H new ATOM 0 HG21 VAL A 73 23.081 -6.590 9.878 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.649 -7.217 11.486 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.638 -5.971 10.717 1.00 0.00 H new ATOM 1036 N LYS A 74 24.051 -3.613 14.894 1.00 0.00 N ATOM 1037 CA LYS A 74 24.832 -2.548 15.593 1.00 0.00 C ATOM 1038 C LYS A 74 26.375 -2.672 15.349 1.00 0.00 C ATOM 1039 O LYS A 74 27.033 -3.595 15.837 1.00 0.00 O ATOM 1040 CB LYS A 74 24.430 -2.579 17.094 1.00 0.00 C ATOM 1041 CG LYS A 74 25.007 -1.457 17.994 1.00 0.00 C ATOM 1042 CD LYS A 74 24.464 -0.048 17.679 1.00 0.00 C ATOM 1043 CE LYS A 74 25.034 1.024 18.620 1.00 0.00 C ATOM 1044 NZ LYS A 74 24.475 2.344 18.274 1.00 0.00 N ATOM 0 H LYS A 74 23.621 -4.291 15.523 1.00 0.00 H new ATOM 0 HA LYS A 74 24.587 -1.569 15.180 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.342 -2.539 17.156 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.737 -3.539 17.508 1.00 0.00 H new ATOM 0 HG2 LYS A 74 24.788 -1.694 19.035 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.092 -1.447 17.891 1.00 0.00 H new ATOM 0 HD2 LYS A 74 24.708 0.210 16.649 1.00 0.00 H new ATOM 0 HD3 LYS A 74 23.377 -0.055 17.757 1.00 0.00 H new ATOM 0 HE2 LYS A 74 24.794 0.777 19.654 1.00 0.00 H new ATOM 0 HE3 LYS A 74 26.121 1.048 18.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.865 3.065 18.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 24.726 2.581 17.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 23.440 2.319 18.370 1.00 0.00 H new ATOM 1057 N GLY A 75 26.920 -1.740 14.549 1.00 0.00 N ATOM 1058 CA GLY A 75 28.287 -1.869 13.971 1.00 0.00 C ATOM 1059 C GLY A 75 28.416 -2.541 12.580 1.00 0.00 C ATOM 1060 O GLY A 75 29.413 -3.223 12.335 1.00 0.00 O ATOM 0 H GLY A 75 26.439 -0.881 14.281 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.719 -0.871 13.903 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.898 -2.434 14.675 1.00 0.00 H new ATOM 1064 N THR A 76 27.473 -2.313 11.647 1.00 0.00 N ATOM 1065 CA THR A 76 27.583 -2.763 10.238 1.00 0.00 C ATOM 1066 C THR A 76 28.629 -1.935 9.426 1.00 0.00 C ATOM 1067 O THR A 76 28.710 -0.708 9.549 1.00 0.00 O ATOM 1068 CB THR A 76 26.145 -2.728 9.619 1.00 0.00 C ATOM 1069 OG1 THR A 76 26.156 -3.362 8.346 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.459 -1.360 9.424 1.00 0.00 C ATOM 0 H THR A 76 26.608 -1.810 11.845 1.00 0.00 H new ATOM 0 HA THR A 76 27.967 -3.782 10.197 1.00 0.00 H new ATOM 0 HB THR A 76 25.558 -3.238 10.383 1.00 0.00 H new ATOM 0 HG1 THR A 76 25.255 -3.340 7.962 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.472 -1.507 8.986 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.358 -0.863 10.389 1.00 0.00 H new ATOM 0 HG23 THR A 76 26.062 -0.742 8.759 1.00 0.00 H new ATOM 1078 N LYS A 77 29.352 -2.591 8.502 1.00 0.00 N ATOM 1079 CA LYS A 77 30.062 -1.867 7.397 1.00 0.00 C ATOM 1080 C LYS A 77 29.144 -1.197 6.302 1.00 0.00 C ATOM 1081 O LYS A 77 29.672 -0.597 5.361 1.00 0.00 O ATOM 1082 CB LYS A 77 31.102 -2.821 6.743 1.00 0.00 C ATOM 1083 CG LYS A 77 32.320 -3.215 7.616 1.00 0.00 C ATOM 1084 CD LYS A 77 33.395 -4.033 6.867 1.00 0.00 C ATOM 1085 CE LYS A 77 32.953 -5.443 6.438 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.038 -6.115 5.698 1.00 0.00 N ATOM 0 H LYS A 77 29.468 -3.604 8.484 1.00 0.00 H new ATOM 0 HA LYS A 77 30.551 -1.018 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.587 -3.734 6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 77 31.472 -2.350 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.779 -2.309 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 77 31.969 -3.793 8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 77 33.701 -3.478 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 77 34.274 -4.122 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 77 32.684 -6.030 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 77 32.063 -5.378 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 33.650 -6.925 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 34.470 -5.444 5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 34.759 -6.450 6.368 1.00 0.00 H new ATOM 1099 N MET A 78 27.796 -1.250 6.416 1.00 0.00 N ATOM 1100 CA MET A 78 26.882 -0.536 5.489 1.00 0.00 C ATOM 1101 C MET A 78 26.779 0.967 5.901 1.00 0.00 C ATOM 1102 O MET A 78 26.046 1.323 6.831 1.00 0.00 O ATOM 1103 CB MET A 78 25.528 -1.304 5.421 1.00 0.00 C ATOM 1104 CG MET A 78 24.451 -0.599 4.568 1.00 0.00 C ATOM 1105 SD MET A 78 23.332 -1.725 3.634 1.00 0.00 S ATOM 1106 CE MET A 78 21.789 -0.811 4.056 1.00 0.00 C ATOM 0 H MET A 78 27.315 -1.781 7.142 1.00 0.00 H new ATOM 0 HA MET A 78 27.268 -0.522 4.470 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.706 -2.299 5.014 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.146 -1.437 6.433 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.846 0.029 5.222 1.00 0.00 H new ATOM 0 HG3 MET A 78 24.948 0.064 3.859 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.928 -1.346 3.655 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.696 -0.734 5.139 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.829 0.189 3.624 1.00 0.00 H new ATOM 1116 N ALA A 79 27.496 1.848 5.175 1.00 0.00 N ATOM 1117 CA ALA A 79 27.431 3.317 5.400 1.00 0.00 C ATOM 1118 C ALA A 79 26.147 3.972 4.784 1.00 0.00 C ATOM 1119 O ALA A 79 26.176 4.682 3.775 1.00 0.00 O ATOM 1120 CB ALA A 79 28.761 3.896 4.880 1.00 0.00 C ATOM 0 H ALA A 79 28.130 1.573 4.425 1.00 0.00 H new ATOM 0 HA ALA A 79 27.326 3.550 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.767 4.977 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.591 3.453 5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.867 3.668 3.819 1.00 0.00 H new ATOM 1126 N PHE A 80 25.006 3.701 5.436 1.00 0.00 N ATOM 1127 CA PHE A 80 23.664 4.138 4.988 1.00 0.00 C ATOM 1128 C PHE A 80 22.862 4.631 6.234 1.00 0.00 C ATOM 1129 O PHE A 80 22.807 3.961 7.272 1.00 0.00 O ATOM 1130 CB PHE A 80 22.996 2.953 4.235 1.00 0.00 C ATOM 1131 CG PHE A 80 21.643 3.277 3.586 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.577 4.086 2.446 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.458 2.793 4.151 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.344 4.419 1.892 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.227 3.132 3.603 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.173 3.948 2.480 1.00 0.00 C ATOM 0 H PHE A 80 24.984 3.164 6.303 1.00 0.00 H new ATOM 0 HA PHE A 80 23.706 4.976 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.679 2.603 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.858 2.129 4.935 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.486 4.454 1.994 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.500 2.152 5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.296 5.040 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.315 2.762 4.049 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.216 4.219 2.060 1.00 0.00 H new ATOM 1146 N ALA A 81 22.222 5.805 6.123 1.00 0.00 N ATOM 1147 CA ALA A 81 21.458 6.407 7.248 1.00 0.00 C ATOM 1148 C ALA A 81 20.027 5.833 7.495 1.00 0.00 C ATOM 1149 O ALA A 81 19.639 5.669 8.654 1.00 0.00 O ATOM 1150 CB ALA A 81 21.440 7.929 7.003 1.00 0.00 C ATOM 0 H ALA A 81 22.213 6.363 5.269 1.00 0.00 H new ATOM 0 HA ALA A 81 21.966 6.144 8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.889 8.420 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.462 8.306 6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.956 8.138 6.049 1.00 0.00 H new ATOM 1156 N GLY A 82 19.245 5.564 6.434 1.00 0.00 N ATOM 1157 CA GLY A 82 17.818 5.185 6.590 1.00 0.00 C ATOM 1158 C GLY A 82 16.856 5.594 5.454 1.00 0.00 C ATOM 1159 O GLY A 82 16.878 6.724 4.961 1.00 0.00 O ATOM 0 H GLY A 82 19.567 5.600 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.766 4.102 6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.451 5.622 7.519 1.00 0.00 H new ATOM 1163 N LEU A 83 15.929 4.686 5.119 1.00 0.00 N ATOM 1164 CA LEU A 83 14.748 4.989 4.268 1.00 0.00 C ATOM 1165 C LEU A 83 13.555 5.562 5.110 1.00 0.00 C ATOM 1166 O LEU A 83 13.124 4.878 6.046 1.00 0.00 O ATOM 1167 CB LEU A 83 14.299 3.724 3.484 1.00 0.00 C ATOM 1168 CG LEU A 83 15.195 3.288 2.300 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.590 2.069 1.600 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.352 4.389 1.242 1.00 0.00 C ATOM 0 H LEU A 83 15.969 3.714 5.427 1.00 0.00 H new ATOM 0 HA LEU A 83 15.048 5.757 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.235 2.893 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.293 3.898 3.103 1.00 0.00 H new ATOM 0 HG LEU A 83 16.172 3.061 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.230 1.772 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.510 1.245 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.599 2.321 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.990 4.029 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.373 4.651 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.805 5.269 1.698 1.00 0.00 H new ATOM 1182 N PRO A 84 12.975 6.766 4.827 1.00 0.00 N ATOM 1183 CA PRO A 84 12.049 7.453 5.774 1.00 0.00 C ATOM 1184 C PRO A 84 10.550 7.011 5.761 1.00 0.00 C ATOM 1185 O PRO A 84 9.971 6.857 6.842 1.00 0.00 O ATOM 1186 CB PRO A 84 12.264 8.929 5.380 1.00 0.00 C ATOM 1187 CG PRO A 84 12.566 8.904 3.877 1.00 0.00 C ATOM 1188 CD PRO A 84 13.359 7.612 3.677 1.00 0.00 C ATOM 0 HA PRO A 84 12.279 7.207 6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.378 9.527 5.594 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.089 9.370 5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.650 8.905 3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.143 9.777 3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 84 13.108 7.134 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.432 7.802 3.664 1.00 0.00 H new ATOM 1196 N LYS A 85 9.927 6.772 4.592 1.00 0.00 N ATOM 1197 CA LYS A 85 8.522 6.294 4.509 1.00 0.00 C ATOM 1198 C LYS A 85 8.437 4.735 4.546 1.00 0.00 C ATOM 1199 O LYS A 85 9.274 4.021 3.982 1.00 0.00 O ATOM 1200 CB LYS A 85 7.860 6.814 3.201 1.00 0.00 C ATOM 1201 CG LYS A 85 7.796 8.344 2.967 1.00 0.00 C ATOM 1202 CD LYS A 85 6.913 9.108 3.974 1.00 0.00 C ATOM 1203 CE LYS A 85 6.858 10.611 3.665 1.00 0.00 C ATOM 1204 NZ LYS A 85 6.019 11.302 4.663 1.00 0.00 N ATOM 0 H LYS A 85 10.372 6.901 3.683 1.00 0.00 H new ATOM 0 HA LYS A 85 7.991 6.684 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.394 6.371 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.840 6.430 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.807 8.748 3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.421 8.530 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.904 8.697 3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.300 8.959 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.865 11.029 3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.454 10.770 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.988 12.319 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.055 10.912 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.422 11.163 5.612 1.00 0.00 H new ATOM 1217 N ILE A 86 7.341 4.211 5.123 1.00 0.00 N ATOM 1218 CA ILE A 86 6.930 2.773 4.965 1.00 0.00 C ATOM 1219 C ILE A 86 6.808 2.286 3.476 1.00 0.00 C ATOM 1220 O ILE A 86 7.325 1.219 3.137 1.00 0.00 O ATOM 1221 CB ILE A 86 5.685 2.487 5.884 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.466 0.990 6.256 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.359 3.165 5.449 1.00 0.00 C ATOM 1224 CD1 ILE A 86 4.870 0.045 5.194 1.00 0.00 C ATOM 0 H ILE A 86 6.708 4.754 5.711 1.00 0.00 H new ATOM 0 HA ILE A 86 7.743 2.139 5.318 1.00 0.00 H new ATOM 0 HB ILE A 86 5.985 2.990 6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.429 0.580 6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.815 0.958 7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.568 2.901 6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.490 4.247 5.440 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.086 2.824 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.782 -0.959 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.884 0.404 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.523 0.021 4.321 1.00 0.00 H new ATOM 1236 N GLU A 87 6.247 3.126 2.581 1.00 0.00 N ATOM 1237 CA GLU A 87 6.318 2.921 1.108 1.00 0.00 C ATOM 1238 C GLU A 87 7.751 2.813 0.498 1.00 0.00 C ATOM 1239 O GLU A 87 7.925 2.021 -0.425 1.00 0.00 O ATOM 1240 CB GLU A 87 5.536 4.047 0.376 1.00 0.00 C ATOM 1241 CG GLU A 87 4.000 4.047 0.571 1.00 0.00 C ATOM 1242 CD GLU A 87 3.274 5.101 -0.261 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.219 6.310 0.371 1.00 0.00 O ATOM 1244 OE2 GLU A 87 2.801 4.873 -1.370 1.00 0.00 O ATOM 0 H GLU A 87 5.733 3.964 2.852 1.00 0.00 H new ATOM 0 HA GLU A 87 5.865 1.942 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.924 5.009 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.746 3.973 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.610 3.062 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.777 4.212 1.625 1.00 0.00 H new ATOM 1251 N ASP A 88 8.769 3.559 0.976 1.00 0.00 N ATOM 1252 CA ASP A 88 10.149 3.465 0.406 1.00 0.00 C ATOM 1253 C ASP A 88 10.803 2.053 0.561 1.00 0.00 C ATOM 1254 O ASP A 88 11.176 1.437 -0.440 1.00 0.00 O ATOM 1255 CB ASP A 88 11.065 4.578 0.994 1.00 0.00 C ATOM 1256 CG ASP A 88 10.802 6.030 0.606 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.825 6.229 -0.745 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.643 6.920 1.437 1.00 0.00 O ATOM 0 H ASP A 88 8.675 4.226 1.742 1.00 0.00 H new ATOM 0 HA ASP A 88 10.044 3.622 -0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 88 11.008 4.512 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 88 12.092 4.343 0.713 1.00 0.00 H new ATOM 1263 N ARG A 89 10.901 1.537 1.797 1.00 0.00 N ATOM 1264 CA ARG A 89 11.337 0.140 2.060 1.00 0.00 C ATOM 1265 C ARG A 89 10.369 -0.989 1.572 1.00 0.00 C ATOM 1266 O ARG A 89 10.857 -1.921 0.931 1.00 0.00 O ATOM 1267 CB ARG A 89 11.820 0.002 3.527 1.00 0.00 C ATOM 1268 CG ARG A 89 10.852 0.446 4.651 1.00 0.00 C ATOM 1269 CD ARG A 89 11.303 1.712 5.409 1.00 0.00 C ATOM 1270 NE ARG A 89 10.426 1.798 6.615 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.108 2.899 7.283 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.649 4.057 7.062 1.00 0.00 N ATOM 1273 NH2 ARG A 89 9.219 2.814 8.229 1.00 0.00 N ATOM 0 H ARG A 89 10.684 2.065 2.642 1.00 0.00 H new ATOM 0 HA ARG A 89 12.191 -0.044 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.075 -1.044 3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.741 0.576 3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.868 0.626 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.741 -0.371 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.353 1.644 5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.198 2.600 4.785 1.00 0.00 H new ATOM 0 HE ARG A 89 10.032 0.922 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.362 4.157 6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.361 4.867 7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.785 1.916 8.442 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.956 3.645 8.758 1.00 0.00 H new ATOM 1287 N ALA A 90 9.037 -0.925 1.792 1.00 0.00 N ATOM 1288 CA ALA A 90 8.073 -1.891 1.185 1.00 0.00 C ATOM 1289 C ALA A 90 8.033 -1.987 -0.380 1.00 0.00 C ATOM 1290 O ALA A 90 8.029 -3.099 -0.917 1.00 0.00 O ATOM 1291 CB ALA A 90 6.692 -1.604 1.798 1.00 0.00 C ATOM 0 H ALA A 90 8.598 -0.219 2.383 1.00 0.00 H new ATOM 0 HA ALA A 90 8.432 -2.889 1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.958 -2.292 1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.739 -1.738 2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.400 -0.579 1.572 1.00 0.00 H new ATOM 1297 N ASN A 91 8.078 -0.855 -1.109 1.00 0.00 N ATOM 1298 CA ASN A 91 8.284 -0.844 -2.592 1.00 0.00 C ATOM 1299 C ASN A 91 9.655 -1.440 -3.066 1.00 0.00 C ATOM 1300 O ASN A 91 9.675 -2.264 -3.984 1.00 0.00 O ATOM 1301 CB ASN A 91 8.068 0.595 -3.145 1.00 0.00 C ATOM 1302 CG ASN A 91 6.635 1.153 -3.092 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.630 0.451 -3.003 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.482 2.449 -3.215 1.00 0.00 N ATOM 0 H ASN A 91 7.975 0.075 -0.703 1.00 0.00 H new ATOM 0 HA ASN A 91 7.535 -1.517 -3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.717 1.273 -2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.401 0.613 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.545 2.852 -3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.300 3.054 -3.291 1.00 0.00 H new ATOM 1311 N LEU A 92 10.785 -1.067 -2.430 1.00 0.00 N ATOM 1312 CA LEU A 92 12.107 -1.733 -2.643 1.00 0.00 C ATOM 1313 C LEU A 92 12.145 -3.273 -2.311 1.00 0.00 C ATOM 1314 O LEU A 92 12.670 -4.059 -3.101 1.00 0.00 O ATOM 1315 CB LEU A 92 13.181 -0.907 -1.877 1.00 0.00 C ATOM 1316 CG LEU A 92 14.604 -0.857 -2.495 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.502 0.040 -1.638 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.296 -2.219 -2.621 1.00 0.00 C ATOM 0 H LEU A 92 10.818 -0.302 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 92 12.322 -1.731 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.817 0.116 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.264 -1.312 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 92 14.464 -0.471 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.501 0.075 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.085 1.047 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.559 -0.363 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.284 -2.086 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.398 -2.668 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.699 -2.873 -3.257 1.00 0.00 H new ATOM 1330 N ILE A 93 11.546 -3.723 -1.193 1.00 0.00 N ATOM 1331 CA ILE A 93 11.316 -5.174 -0.886 1.00 0.00 C ATOM 1332 C ILE A 93 10.448 -5.915 -1.970 1.00 0.00 C ATOM 1333 O ILE A 93 10.846 -6.996 -2.407 1.00 0.00 O ATOM 1334 CB ILE A 93 10.811 -5.286 0.602 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.936 -4.940 1.631 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.195 -6.655 0.984 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.437 -4.543 3.029 1.00 0.00 C ATOM 0 H ILE A 93 11.201 -3.098 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 93 12.253 -5.728 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 93 10.010 -4.549 0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.596 -5.802 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.536 -4.123 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.878 -6.633 2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.334 -6.857 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.939 -7.440 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.290 -4.322 3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.803 -3.660 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.864 -5.365 3.458 1.00 0.00 H new ATOM 1349 N ALA A 94 9.325 -5.339 -2.444 1.00 0.00 N ATOM 1350 CA ALA A 94 8.601 -5.842 -3.650 1.00 0.00 C ATOM 1351 C ALA A 94 9.419 -5.929 -4.986 1.00 0.00 C ATOM 1352 O ALA A 94 9.365 -6.957 -5.668 1.00 0.00 O ATOM 1353 CB ALA A 94 7.340 -4.977 -3.797 1.00 0.00 C ATOM 0 H ALA A 94 8.891 -4.522 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 94 8.371 -6.893 -3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.773 -5.305 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.724 -5.078 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.627 -3.933 -3.924 1.00 0.00 H new ATOM 1359 N TYR A 95 10.224 -4.899 -5.321 1.00 0.00 N ATOM 1360 CA TYR A 95 11.340 -5.012 -6.309 1.00 0.00 C ATOM 1361 C TYR A 95 12.331 -6.202 -6.058 1.00 0.00 C ATOM 1362 O TYR A 95 12.518 -7.002 -6.970 1.00 0.00 O ATOM 1363 CB TYR A 95 12.005 -3.608 -6.385 1.00 0.00 C ATOM 1364 CG TYR A 95 13.281 -3.487 -7.230 1.00 0.00 C ATOM 1365 CD1 TYR A 95 13.213 -3.259 -8.607 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.532 -3.616 -6.616 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.383 -3.132 -9.351 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.697 -3.516 -7.369 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.622 -3.251 -8.732 1.00 0.00 C ATOM 1370 OH TYR A 95 16.763 -3.080 -9.466 1.00 0.00 O ATOM 0 H TYR A 95 10.127 -3.966 -4.921 1.00 0.00 H new ATOM 0 HA TYR A 95 10.944 -5.290 -7.286 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.270 -2.906 -6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.239 -3.289 -5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.252 -3.181 -9.094 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.593 -3.794 -5.553 1.00 0.00 H new ATOM 0 HE1 TYR A 95 14.328 -2.940 -10.412 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.659 -3.644 -6.896 1.00 0.00 H new ATOM 0 HH TYR A 95 17.427 -2.598 -8.930 1.00 0.00 H new ATOM 1380 N LEU A 96 12.928 -6.349 -4.864 1.00 0.00 N ATOM 1381 CA LEU A 96 13.833 -7.497 -4.535 1.00 0.00 C ATOM 1382 C LEU A 96 13.189 -8.930 -4.504 1.00 0.00 C ATOM 1383 O LEU A 96 13.885 -9.914 -4.766 1.00 0.00 O ATOM 1384 CB LEU A 96 14.546 -7.183 -3.190 1.00 0.00 C ATOM 1385 CG LEU A 96 15.529 -5.982 -3.174 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.852 -5.583 -1.726 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.818 -6.265 -3.965 1.00 0.00 C ATOM 0 H LEU A 96 12.808 -5.689 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 96 14.530 -7.568 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.780 -7.003 -2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.095 -8.073 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 96 15.034 -5.149 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.542 -4.740 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.933 -5.299 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.310 -6.427 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.470 -5.393 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.330 -7.123 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.568 -6.479 -5.004 1.00 0.00 H new ATOM 1399 N GLU A 97 11.880 -9.056 -4.215 1.00 0.00 N ATOM 1400 CA GLU A 97 11.092 -10.295 -4.492 1.00 0.00 C ATOM 1401 C GLU A 97 10.931 -10.629 -6.017 1.00 0.00 C ATOM 1402 O GLU A 97 11.221 -11.760 -6.418 1.00 0.00 O ATOM 1403 CB GLU A 97 9.710 -10.194 -3.783 1.00 0.00 C ATOM 1404 CG GLU A 97 9.751 -10.242 -2.236 1.00 0.00 C ATOM 1405 CD GLU A 97 8.395 -10.051 -1.563 1.00 0.00 C ATOM 1406 OE1 GLU A 97 8.032 -8.740 -1.485 1.00 0.00 O ATOM 1407 OE2 GLU A 97 7.712 -10.971 -1.126 1.00 0.00 O ATOM 0 H GLU A 97 11.331 -8.311 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 97 11.661 -11.132 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.232 -9.263 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.078 -11.008 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.165 -11.201 -1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.432 -9.470 -1.879 1.00 0.00 H new ATOM 1414 N GLY A 98 10.479 -9.675 -6.857 1.00 0.00 N ATOM 1415 CA GLY A 98 10.365 -9.883 -8.329 1.00 0.00 C ATOM 1416 C GLY A 98 11.674 -9.841 -9.153 1.00 0.00 C ATOM 1417 O GLY A 98 11.989 -10.803 -9.855 1.00 0.00 O ATOM 0 H GLY A 98 10.185 -8.749 -6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.891 -10.850 -8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.691 -9.124 -8.726 1.00 0.00 H new ATOM 1421 N GLN A 99 12.407 -8.718 -9.097 1.00 0.00 N ATOM 1422 CA GLN A 99 13.724 -8.566 -9.769 1.00 0.00 C ATOM 1423 C GLN A 99 14.874 -9.089 -8.854 1.00 0.00 C ATOM 1424 O GLN A 99 15.114 -8.554 -7.765 1.00 0.00 O ATOM 1425 CB GLN A 99 13.916 -7.067 -10.137 1.00 0.00 C ATOM 1426 CG GLN A 99 14.900 -6.856 -11.322 1.00 0.00 C ATOM 1427 CD GLN A 99 14.957 -5.448 -11.922 1.00 0.00 C ATOM 1428 OE1 GLN A 99 15.981 -4.776 -11.919 1.00 0.00 O ATOM 1429 NE2 GLN A 99 13.878 -4.962 -12.491 1.00 0.00 N ATOM 0 H GLN A 99 12.111 -7.886 -8.587 1.00 0.00 H new ATOM 0 HA GLN A 99 13.753 -9.164 -10.680 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.949 -6.634 -10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.285 -6.528 -9.264 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.901 -7.124 -10.985 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.633 -7.554 -12.115 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.017 -5.509 -12.502 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.901 -4.038 -12.922 1.00 0.00 H new ATOM 1438 N GLN A 100 15.558 -10.152 -9.300 1.00 0.00 N ATOM 1439 CA GLN A 100 16.582 -10.848 -8.485 1.00 0.00 C ATOM 1440 C GLN A 100 17.923 -10.835 -9.254 1.00 0.00 C ATOM 1441 O GLN A 100 18.184 -11.728 -10.093 1.00 0.00 O ATOM 1442 CB GLN A 100 16.077 -12.268 -8.105 1.00 0.00 C ATOM 1443 CG GLN A 100 14.835 -12.297 -7.169 1.00 0.00 C ATOM 1444 CD GLN A 100 14.440 -13.680 -6.638 1.00 0.00 C ATOM 1445 OE1 GLN A 100 15.259 -14.541 -6.335 1.00 0.00 O ATOM 1446 NE2 GLN A 100 13.168 -13.931 -6.449 1.00 0.00 N ATOM 1447 OXT GLN A 100 18.741 -9.921 -8.996 1.00 0.00 O ATOM 0 H GLN A 100 15.424 -10.556 -10.227 1.00 0.00 H new ATOM 0 HA GLN A 100 16.757 -10.335 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 100 15.836 -12.808 -9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 100 16.890 -12.809 -7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.027 -11.642 -6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.986 -11.878 -7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.468 -13.230 -6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.878 -14.827 -6.058 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.827 -1.913 1.573 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.778 -4.815 3.145 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.726 -3.479 1.507 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.585 0.963 0.586 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.764 -0.694 1.410 1.00 0.00 C HETATM 1462 NA HEC A 101 22.953 -3.568 2.308 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.485 -4.639 2.866 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.662 -5.687 3.138 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.482 -5.278 2.708 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.735 -4.061 2.159 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.172 -6.096 2.764 1.00 0.00 C HETATM 1468 CAA HEC A 101 22.916 -7.091 3.746 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.030 -8.198 2.666 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.427 -9.603 3.135 1.00 0.00 C HETATM 1471 O1A HEC A 101 23.888 -10.392 2.276 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.311 -9.934 4.336 1.00 0.00 O HETATM 1473 NB HEC A 101 22.084 -1.438 1.096 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.858 -2.145 0.929 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.838 -1.432 0.308 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.303 -0.139 0.175 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.624 -0.157 0.671 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.511 -1.992 -0.233 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.579 1.026 -0.533 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.302 1.448 0.209 1.00 0.00 C HETATM 1481 NC HEC A 101 24.485 -0.185 1.314 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.899 0.862 0.831 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.731 1.876 0.498 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.958 1.378 0.667 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.734 0.130 1.152 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.435 3.282 -0.048 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.287 2.057 0.224 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.584 3.417 0.880 1.00 0.00 C HETATM 1489 ND HEC A 101 25.421 -2.704 1.989 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.675 -2.076 1.915 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.726 -2.793 2.507 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.166 -3.941 3.028 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.802 -3.858 2.723 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.195 -2.373 2.624 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.887 -5.037 3.837 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.787 -4.742 5.348 1.00 0.00 C HETATM 1497 CGD HEC A 101 28.491 -5.684 6.324 1.00 0.00 C HETATM 1498 O1D HEC A 101 29.237 -6.597 5.912 1.00 0.00 O HETATM 1499 O2D HEC A 101 28.293 -5.499 7.542 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.611 -2.223 1.628 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.264 -1.443 3.189 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.757 -3.153 3.139 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.910 3.200 -1.000 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.813 3.825 0.664 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.372 3.820 -0.196 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.717 -2.738 -1.001 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.952 -2.454 0.581 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.922 -1.182 -0.663 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.293 -7.016 2.192 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.940 -6.341 3.800 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.358 -5.509 2.339 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 28.178 -3.738 5.516 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.730 -4.721 5.612 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.785 4.119 0.641 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.647 3.294 1.961 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.531 3.803 0.503 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.615 0.603 0.261 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.557 1.770 1.218 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.826 2.270 -0.325 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.069 -8.272 2.157 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 23.759 -7.872 1.925 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.445 -6.009 3.620 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 28.934 -5.089 3.538 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.833 -7.067 4.335 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.104 -7.339 4.430 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.764 -0.301 1.228 1.00 0.00 H new HETATM 0 HHC HEC A 101 22.197 1.942 0.304 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.781 -4.012 1.404 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.081 -5.700 3.705 1.00 0.00 H new HETATM 0 H2D HEC A 101 27.607 -4.809 7.661 1.00 0.00 H new HETATM 0 H2A HEC A 101 23.153 -10.899 4.395 1.00 0.00 H new