USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 80 HIS HD1 : A 80 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 99 LYS NZ :NH3+ -134:sc= 0.595 (180deg=0) USER MOD Set 1.2: A 100 ASN : amide:sc= 0.537 K(o=1.1,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0622 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.69) USER MOD Single : A 15 SER OG : rot 180:sc= -0.933 USER MOD Single : A 22 GLN : amide:sc= -4.11! C(o=-4.1!,f=-7.9!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.19) USER MOD Single : A 31 HIS : no HE2:sc= -5.1 K(o=-5.1,f=-4.3!) USER MOD Single : A 32 TYR OH : rot 150:sc= -0.0839 USER MOD Single : A 35 MET CE :methyl -144:sc= -0.0201 (180deg=-0.462) USER MOD Single : A 42 THR OG1 : rot -124:sc= -1.59 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= 0.59 (180deg=-1.16) USER MOD Single : A 50 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -1.15 (180deg=-1.26) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -2.08 K(o=-2.1,f=-0.82!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0162 K(o=-0.016,f=-1.1) USER MOD Single : A 63 SER OG : rot -2:sc= 0.753! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 147:sc= -0.215 (180deg=-0.712) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -30:sc= -1.8! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0701 X(o=-0.07,f=-0.11) USER MOD Single : A 88 MET CE :methyl -119:sc= -1.02 (180deg=-6.76!) USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= -0.214 (180deg=-0.337) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.34) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 14:sc= 0.238 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.626 12.511 3.102 1.00 0.00 N ATOM 2 CA GLY A 1 -34.010 12.380 4.410 1.00 0.00 C ATOM 3 C GLY A 1 -33.017 11.237 4.472 1.00 0.00 C ATOM 4 O GLY A 1 -33.088 10.392 5.364 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.296 13.306 3.112 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.891 12.687 2.388 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.133 11.634 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.504 13.311 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.786 12.224 5.159 1.00 0.00 H new ATOM 8 N SER A 2 -32.090 11.208 3.520 1.00 0.00 N ATOM 9 CA SER A 2 -31.081 10.157 3.467 1.00 0.00 C ATOM 10 C SER A 2 -29.771 10.689 2.894 1.00 0.00 C ATOM 11 O SER A 2 -29.749 11.289 1.820 1.00 0.00 O ATOM 12 CB SER A 2 -31.581 8.983 2.622 1.00 0.00 C ATOM 13 OG SER A 2 -32.648 8.309 3.267 1.00 0.00 O ATOM 0 H SER A 2 -32.017 11.901 2.775 1.00 0.00 H new ATOM 0 HA SER A 2 -30.898 9.812 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.911 9.346 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.763 8.286 2.441 1.00 0.00 H new ATOM 0 HG SER A 2 -32.951 7.564 2.707 1.00 0.00 H new ATOM 19 N SER A 3 -28.680 10.463 3.619 1.00 0.00 N ATOM 20 CA SER A 3 -27.366 10.922 3.187 1.00 0.00 C ATOM 21 C SER A 3 -26.878 10.119 1.985 1.00 0.00 C ATOM 22 O SER A 3 -26.423 10.683 0.990 1.00 0.00 O ATOM 23 CB SER A 3 -26.359 10.808 4.333 1.00 0.00 C ATOM 24 OG SER A 3 -26.247 9.469 4.781 1.00 0.00 O ATOM 0 H SER A 3 -28.681 9.964 4.509 1.00 0.00 H new ATOM 0 HA SER A 3 -27.453 11.968 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.384 11.167 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.670 11.447 5.160 1.00 0.00 H new ATOM 0 HG SER A 3 -25.596 9.422 5.512 1.00 0.00 H new ATOM 30 N GLY A 4 -26.978 8.797 2.084 1.00 0.00 N ATOM 31 CA GLY A 4 -26.543 7.936 1.000 1.00 0.00 C ATOM 32 C GLY A 4 -25.121 8.227 0.563 1.00 0.00 C ATOM 33 O GLY A 4 -24.857 8.424 -0.623 1.00 0.00 O ATOM 0 H GLY A 4 -27.353 8.307 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.617 6.895 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.214 8.060 0.150 1.00 0.00 H new ATOM 37 N SER A 5 -24.203 8.256 1.523 1.00 0.00 N ATOM 38 CA SER A 5 -22.801 8.531 1.232 1.00 0.00 C ATOM 39 C SER A 5 -21.921 7.351 1.634 1.00 0.00 C ATOM 40 O SER A 5 -20.837 7.531 2.188 1.00 0.00 O ATOM 41 CB SER A 5 -22.344 9.794 1.964 1.00 0.00 C ATOM 42 OG SER A 5 -22.633 9.714 3.349 1.00 0.00 O ATOM 0 H SER A 5 -24.405 8.092 2.509 1.00 0.00 H new ATOM 0 HA SER A 5 -22.703 8.686 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.273 9.934 1.820 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.839 10.665 1.536 1.00 0.00 H new ATOM 0 HG SER A 5 -22.330 10.533 3.794 1.00 0.00 H new ATOM 48 N SER A 6 -22.397 6.143 1.349 1.00 0.00 N ATOM 49 CA SER A 6 -21.657 4.931 1.684 1.00 0.00 C ATOM 50 C SER A 6 -20.959 4.364 0.452 1.00 0.00 C ATOM 51 O SER A 6 -21.603 4.022 -0.539 1.00 0.00 O ATOM 52 CB SER A 6 -22.597 3.882 2.280 1.00 0.00 C ATOM 53 OG SER A 6 -21.874 2.904 3.008 1.00 0.00 O ATOM 0 H SER A 6 -23.291 5.977 0.887 1.00 0.00 H new ATOM 0 HA SER A 6 -20.899 5.190 2.423 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.320 4.367 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.163 3.401 1.482 1.00 0.00 H new ATOM 0 HG SER A 6 -22.498 2.246 3.380 1.00 0.00 H new ATOM 59 N GLY A 7 -19.634 4.266 0.522 1.00 0.00 N ATOM 60 CA GLY A 7 -18.869 3.740 -0.593 1.00 0.00 C ATOM 61 C GLY A 7 -17.379 3.724 -0.318 1.00 0.00 C ATOM 62 O GLY A 7 -16.880 4.519 0.478 1.00 0.00 O ATOM 0 H GLY A 7 -19.078 4.542 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.205 2.727 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.065 4.342 -1.480 1.00 0.00 H new ATOM 66 N ALA A 8 -16.667 2.815 -0.976 1.00 0.00 N ATOM 67 CA ALA A 8 -15.225 2.699 -0.798 1.00 0.00 C ATOM 68 C ALA A 8 -14.886 2.112 0.568 1.00 0.00 C ATOM 69 O ALA A 8 -13.815 2.369 1.116 1.00 0.00 O ATOM 70 CB ALA A 8 -14.561 4.057 -0.971 1.00 0.00 C ATOM 0 H ALA A 8 -17.065 2.148 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.843 2.020 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.484 3.955 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.766 4.438 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -14.956 4.752 -0.230 1.00 0.00 H new ATOM 76 N ASN A 9 -15.806 1.324 1.113 1.00 0.00 N ATOM 77 CA ASN A 9 -15.605 0.702 2.417 1.00 0.00 C ATOM 78 C ASN A 9 -14.349 -0.165 2.418 1.00 0.00 C ATOM 79 O ASN A 9 -13.754 -0.416 1.370 1.00 0.00 O ATOM 80 CB ASN A 9 -16.823 -0.145 2.795 1.00 0.00 C ATOM 81 CG ASN A 9 -17.931 0.682 3.418 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.213 1.796 2.976 1.00 0.00 O ATOM 83 ND2 ASN A 9 -18.565 0.139 4.451 1.00 0.00 N ATOM 0 H ASN A 9 -16.698 1.101 0.672 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.479 1.495 3.154 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.204 -0.646 1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.518 -0.924 3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.319 0.648 4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.298 -0.787 4.784 1.00 0.00 H new ATOM 90 N CYS A 10 -13.952 -0.620 3.602 1.00 0.00 N ATOM 91 CA CYS A 10 -12.768 -1.458 3.741 1.00 0.00 C ATOM 92 C CYS A 10 -12.862 -2.686 2.840 1.00 0.00 C ATOM 93 O CYS A 10 -13.862 -3.403 2.852 1.00 0.00 O ATOM 94 CB CYS A 10 -12.594 -1.893 5.198 1.00 0.00 C ATOM 95 SG CYS A 10 -10.875 -2.287 5.656 1.00 0.00 S ATOM 0 H CYS A 10 -14.434 -0.422 4.479 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.901 -0.872 3.437 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.959 -1.099 5.849 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.217 -2.768 5.382 1.00 0.00 H new ATOM 100 N ALA A 11 -11.812 -2.922 2.059 1.00 0.00 N ATOM 101 CA ALA A 11 -11.775 -4.063 1.153 1.00 0.00 C ATOM 102 C ALA A 11 -11.293 -5.319 1.872 1.00 0.00 C ATOM 103 O ALA A 11 -11.084 -6.361 1.251 1.00 0.00 O ATOM 104 CB ALA A 11 -10.882 -3.760 -0.041 1.00 0.00 C ATOM 0 H ALA A 11 -10.976 -2.338 2.036 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.789 -4.246 0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.864 -4.621 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.271 -2.894 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.871 -3.548 0.306 1.00 0.00 H new ATOM 110 N VAL A 12 -11.117 -5.213 3.186 1.00 0.00 N ATOM 111 CA VAL A 12 -10.660 -6.340 3.989 1.00 0.00 C ATOM 112 C VAL A 12 -11.761 -6.832 4.922 1.00 0.00 C ATOM 113 O VAL A 12 -12.033 -8.031 5.001 1.00 0.00 O ATOM 114 CB VAL A 12 -9.422 -5.967 4.827 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.028 -7.117 5.740 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.265 -5.574 3.920 1.00 0.00 C ATOM 0 H VAL A 12 -11.284 -4.358 3.716 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.393 -7.136 3.294 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.672 -5.110 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.152 -6.834 6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.854 -7.346 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.795 -7.996 5.139 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.398 -5.313 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.013 -6.411 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.554 -4.716 3.313 1.00 0.00 H new ATOM 126 N CYS A 13 -12.392 -5.900 5.627 1.00 0.00 N ATOM 127 CA CYS A 13 -13.465 -6.238 6.555 1.00 0.00 C ATOM 128 C CYS A 13 -14.827 -5.894 5.960 1.00 0.00 C ATOM 129 O CYS A 13 -15.838 -6.510 6.300 1.00 0.00 O ATOM 130 CB CYS A 13 -13.273 -5.497 7.880 1.00 0.00 C ATOM 131 SG CYS A 13 -13.530 -3.697 7.769 1.00 0.00 S ATOM 0 H CYS A 13 -12.179 -4.904 5.574 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.429 -7.312 6.738 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.964 -5.907 8.617 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.265 -5.687 8.248 1.00 0.00 H new ATOM 136 N ASP A 14 -14.846 -4.908 5.070 1.00 0.00 N ATOM 137 CA ASP A 14 -16.084 -4.483 4.426 1.00 0.00 C ATOM 138 C ASP A 14 -16.958 -3.694 5.396 1.00 0.00 C ATOM 139 O ASP A 14 -18.158 -3.945 5.511 1.00 0.00 O ATOM 140 CB ASP A 14 -16.852 -5.696 3.899 1.00 0.00 C ATOM 141 CG ASP A 14 -17.928 -5.311 2.902 1.00 0.00 C ATOM 142 OD1 ASP A 14 -17.643 -4.482 2.013 1.00 0.00 O ATOM 143 OD2 ASP A 14 -19.055 -5.838 3.012 1.00 0.00 O ATOM 0 H ASP A 14 -14.019 -4.388 4.778 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.825 -3.835 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.154 -6.387 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.308 -6.225 4.736 1.00 0.00 H new ATOM 148 N SER A 15 -16.348 -2.741 6.093 1.00 0.00 N ATOM 149 CA SER A 15 -17.070 -1.918 7.057 1.00 0.00 C ATOM 150 C SER A 15 -16.595 -0.469 6.998 1.00 0.00 C ATOM 151 O SER A 15 -15.423 -0.183 6.752 1.00 0.00 O ATOM 152 CB SER A 15 -16.883 -2.471 8.471 1.00 0.00 C ATOM 153 OG SER A 15 -17.406 -1.579 9.441 1.00 0.00 O ATOM 0 H SER A 15 -15.356 -2.519 6.009 1.00 0.00 H new ATOM 0 HA SER A 15 -18.129 -1.945 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.380 -3.437 8.556 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.823 -2.640 8.662 1.00 0.00 H new ATOM 0 HG SER A 15 -17.276 -1.956 10.336 1.00 0.00 H new ATOM 159 N PRO A 16 -17.526 0.467 7.230 1.00 0.00 N ATOM 160 CA PRO A 16 -17.228 1.902 7.209 1.00 0.00 C ATOM 161 C PRO A 16 -16.363 2.331 8.389 1.00 0.00 C ATOM 162 O PRO A 16 -15.435 3.125 8.235 1.00 0.00 O ATOM 163 CB PRO A 16 -18.611 2.553 7.296 1.00 0.00 C ATOM 164 CG PRO A 16 -19.467 1.537 7.970 1.00 0.00 C ATOM 165 CD PRO A 16 -18.943 0.198 7.530 1.00 0.00 C ATOM 0 HA PRO A 16 -16.662 2.188 6.322 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.576 3.482 7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -18.995 2.800 6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.415 1.640 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.513 1.659 7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.052 -0.553 8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.475 -0.174 6.655 1.00 0.00 H new ATOM 173 N GLY A 17 -16.672 1.800 9.568 1.00 0.00 N ATOM 174 CA GLY A 17 -15.912 2.140 10.757 1.00 0.00 C ATOM 175 C GLY A 17 -15.412 3.571 10.736 1.00 0.00 C ATOM 176 O GLY A 17 -16.180 4.501 10.492 1.00 0.00 O ATOM 0 H GLY A 17 -17.435 1.141 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.535 1.989 11.638 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.063 1.463 10.848 1.00 0.00 H new ATOM 180 N ASP A 18 -14.121 3.748 10.994 1.00 0.00 N ATOM 181 CA ASP A 18 -13.518 5.076 11.004 1.00 0.00 C ATOM 182 C ASP A 18 -12.870 5.389 9.659 1.00 0.00 C ATOM 183 O ASP A 18 -12.118 4.579 9.116 1.00 0.00 O ATOM 184 CB ASP A 18 -12.479 5.180 12.121 1.00 0.00 C ATOM 185 CG ASP A 18 -13.109 5.434 13.476 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.730 4.501 14.027 1.00 0.00 O ATOM 187 OD2 ASP A 18 -12.980 6.567 13.986 1.00 0.00 O ATOM 0 H ASP A 18 -13.472 2.989 11.199 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.308 5.805 11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.899 4.258 12.160 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.782 5.986 11.891 1.00 0.00 H new ATOM 192 N LEU A 19 -13.168 6.569 9.125 1.00 0.00 N ATOM 193 CA LEU A 19 -12.615 6.989 7.842 1.00 0.00 C ATOM 194 C LEU A 19 -11.207 7.550 8.013 1.00 0.00 C ATOM 195 O LEU A 19 -10.276 7.143 7.317 1.00 0.00 O ATOM 196 CB LEU A 19 -13.519 8.040 7.195 1.00 0.00 C ATOM 197 CG LEU A 19 -14.675 7.502 6.351 1.00 0.00 C ATOM 198 CD1 LEU A 19 -14.147 6.708 5.167 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.602 6.645 7.201 1.00 0.00 C ATOM 0 H LEU A 19 -13.789 7.251 9.560 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.562 6.114 7.194 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.933 8.669 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.903 8.682 6.565 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.245 8.348 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.984 6.333 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.525 7.352 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.552 5.869 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.419 6.271 6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.044 5.804 7.613 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.008 7.245 8.015 1.00 0.00 H new ATOM 211 N LEU A 20 -11.057 8.484 8.946 1.00 0.00 N ATOM 212 CA LEU A 20 -9.761 9.100 9.211 1.00 0.00 C ATOM 213 C LEU A 20 -8.747 8.057 9.672 1.00 0.00 C ATOM 214 O LEU A 20 -7.596 8.060 9.235 1.00 0.00 O ATOM 215 CB LEU A 20 -9.901 10.194 10.270 1.00 0.00 C ATOM 216 CG LEU A 20 -10.217 11.596 9.748 1.00 0.00 C ATOM 217 CD1 LEU A 20 -9.072 12.119 8.895 1.00 0.00 C ATOM 218 CD2 LEU A 20 -11.516 11.590 8.955 1.00 0.00 C ATOM 0 H LEU A 20 -11.816 8.831 9.532 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.401 9.545 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.688 9.901 10.965 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.973 10.241 10.840 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.339 12.262 10.602 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.315 13.118 8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.162 12.162 9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.917 11.453 8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.725 12.596 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.422 10.910 8.108 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.333 11.259 9.597 1.00 0.00 H new ATOM 230 N ASP A 21 -9.183 7.166 10.555 1.00 0.00 N ATOM 231 CA ASP A 21 -8.315 6.115 11.073 1.00 0.00 C ATOM 232 C ASP A 21 -7.712 5.298 9.934 1.00 0.00 C ATOM 233 O ASP A 21 -6.504 5.066 9.897 1.00 0.00 O ATOM 234 CB ASP A 21 -9.095 5.198 12.017 1.00 0.00 C ATOM 235 CG ASP A 21 -9.444 5.878 13.326 1.00 0.00 C ATOM 236 OD1 ASP A 21 -10.169 6.894 13.293 1.00 0.00 O ATOM 237 OD2 ASP A 21 -8.990 5.394 14.385 1.00 0.00 O ATOM 0 H ASP A 21 -10.133 7.150 10.927 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.504 6.588 11.627 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.011 4.870 11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.505 4.304 12.221 1.00 0.00 H new ATOM 242 N GLN A 22 -8.562 4.864 9.009 1.00 0.00 N ATOM 243 CA GLN A 22 -8.112 4.072 7.871 1.00 0.00 C ATOM 244 C GLN A 22 -7.572 4.969 6.762 1.00 0.00 C ATOM 245 O GLN A 22 -8.028 6.099 6.586 1.00 0.00 O ATOM 246 CB GLN A 22 -9.259 3.213 7.335 1.00 0.00 C ATOM 247 CG GLN A 22 -10.387 4.022 6.715 1.00 0.00 C ATOM 248 CD GLN A 22 -11.571 3.163 6.317 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.434 2.220 5.538 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.743 3.485 6.852 1.00 0.00 N ATOM 0 H GLN A 22 -9.565 5.047 9.025 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.307 3.420 8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.866 2.522 6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.661 2.609 8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.716 4.782 7.424 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.012 4.547 5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.811 4.275 7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.575 2.942 6.621 1.00 0.00 H new ATOM 259 N PHE A 23 -6.598 4.459 6.015 1.00 0.00 N ATOM 260 CA PHE A 23 -5.996 5.215 4.924 1.00 0.00 C ATOM 261 C PHE A 23 -6.887 5.187 3.686 1.00 0.00 C ATOM 262 O PHE A 23 -7.804 4.371 3.585 1.00 0.00 O ATOM 263 CB PHE A 23 -4.615 4.648 4.585 1.00 0.00 C ATOM 264 CG PHE A 23 -3.734 4.457 5.786 1.00 0.00 C ATOM 265 CD1 PHE A 23 -3.881 3.345 6.599 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.758 5.389 6.101 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.072 3.167 7.706 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.946 5.216 7.206 1.00 0.00 C ATOM 269 CZ PHE A 23 -2.103 4.103 8.009 1.00 0.00 C ATOM 0 H PHE A 23 -6.209 3.525 6.146 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.888 6.250 5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.738 3.690 4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.118 5.318 3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.636 2.609 6.365 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.630 6.260 5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.198 2.297 8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.190 5.950 7.441 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.469 3.965 8.872 1.00 0.00 H new ATOM 279 N PHE A 24 -6.612 6.086 2.746 1.00 0.00 N ATOM 280 CA PHE A 24 -7.389 6.167 1.515 1.00 0.00 C ATOM 281 C PHE A 24 -6.473 6.218 0.296 1.00 0.00 C ATOM 282 O PHE A 24 -5.704 7.165 0.122 1.00 0.00 O ATOM 283 CB PHE A 24 -8.295 7.399 1.539 1.00 0.00 C ATOM 284 CG PHE A 24 -8.580 7.961 0.175 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.636 7.479 -0.581 1.00 0.00 C ATOM 286 CD2 PHE A 24 -7.790 8.970 -0.351 1.00 0.00 C ATOM 287 CE1 PHE A 24 -9.901 7.993 -1.836 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.050 9.489 -1.606 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.106 8.999 -2.349 1.00 0.00 C ATOM 0 H PHE A 24 -5.857 6.768 2.814 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.007 5.272 1.445 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.238 7.137 2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.829 8.171 2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.260 6.692 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.962 9.355 0.225 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.728 7.609 -2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.428 10.277 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.310 9.402 -3.330 1.00 0.00 H new ATOM 299 N CYS A 25 -6.560 5.194 -0.546 1.00 0.00 N ATOM 300 CA CYS A 25 -5.739 5.120 -1.749 1.00 0.00 C ATOM 301 C CYS A 25 -6.115 6.225 -2.732 1.00 0.00 C ATOM 302 O CYS A 25 -7.225 6.756 -2.694 1.00 0.00 O ATOM 303 CB CYS A 25 -5.898 3.753 -2.417 1.00 0.00 C ATOM 304 SG CYS A 25 -4.636 3.392 -3.680 1.00 0.00 S ATOM 0 H CYS A 25 -7.191 4.403 -0.417 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.698 5.255 -1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.861 2.979 -1.650 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.884 3.698 -2.878 1.00 0.00 H new ATOM 309 N THR A 26 -5.180 6.568 -3.614 1.00 0.00 N ATOM 310 CA THR A 26 -5.412 7.610 -4.607 1.00 0.00 C ATOM 311 C THR A 26 -5.679 7.009 -5.982 1.00 0.00 C ATOM 312 O THR A 26 -6.465 7.545 -6.764 1.00 0.00 O ATOM 313 CB THR A 26 -4.212 8.571 -4.703 1.00 0.00 C ATOM 314 OG1 THR A 26 -3.040 7.853 -5.107 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.958 9.255 -3.368 1.00 0.00 C ATOM 0 H THR A 26 -4.256 6.139 -3.660 1.00 0.00 H new ATOM 0 HA THR A 26 -6.290 8.168 -4.281 1.00 0.00 H new ATOM 0 HB THR A 26 -4.445 9.334 -5.446 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.282 8.471 -5.167 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.106 9.929 -3.461 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.841 9.824 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.745 8.503 -2.608 1.00 0.00 H new ATOM 323 N THR A 27 -5.020 5.892 -6.273 1.00 0.00 N ATOM 324 CA THR A 27 -5.186 5.218 -7.554 1.00 0.00 C ATOM 325 C THR A 27 -6.580 4.615 -7.682 1.00 0.00 C ATOM 326 O THR A 27 -7.373 5.032 -8.527 1.00 0.00 O ATOM 327 CB THR A 27 -4.138 4.105 -7.744 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.820 4.663 -7.719 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.359 3.371 -9.058 1.00 0.00 C ATOM 0 H THR A 27 -4.366 5.435 -5.638 1.00 0.00 H new ATOM 0 HA THR A 27 -5.047 5.973 -8.328 1.00 0.00 H new ATOM 0 HB THR A 27 -4.246 3.393 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.160 3.949 -7.839 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.607 2.590 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.352 2.922 -9.061 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.277 4.075 -9.886 1.00 0.00 H new ATOM 337 N CYS A 28 -6.874 3.632 -6.838 1.00 0.00 N ATOM 338 CA CYS A 28 -8.173 2.971 -6.856 1.00 0.00 C ATOM 339 C CYS A 28 -9.198 3.764 -6.049 1.00 0.00 C ATOM 340 O CYS A 28 -10.344 3.923 -6.466 1.00 0.00 O ATOM 341 CB CYS A 28 -8.055 1.552 -6.297 1.00 0.00 C ATOM 342 SG CYS A 28 -7.657 1.484 -4.520 1.00 0.00 S ATOM 0 H CYS A 28 -6.229 3.275 -6.132 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.512 2.919 -7.891 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.994 1.026 -6.469 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.284 1.017 -6.852 1.00 0.00 H new ATOM 347 N GLY A 29 -8.775 4.259 -4.890 1.00 0.00 N ATOM 348 CA GLY A 29 -9.667 5.029 -4.042 1.00 0.00 C ATOM 349 C GLY A 29 -10.350 4.175 -2.993 1.00 0.00 C ATOM 350 O GLY A 29 -11.516 4.396 -2.667 1.00 0.00 O ATOM 0 H GLY A 29 -7.831 4.141 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.102 5.821 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.423 5.513 -4.660 1.00 0.00 H new ATOM 354 N GLN A 30 -9.623 3.197 -2.463 1.00 0.00 N ATOM 355 CA GLN A 30 -10.167 2.306 -1.445 1.00 0.00 C ATOM 356 C GLN A 30 -9.670 2.696 -0.057 1.00 0.00 C ATOM 357 O GLN A 30 -8.772 3.528 0.081 1.00 0.00 O ATOM 358 CB GLN A 30 -9.785 0.857 -1.749 1.00 0.00 C ATOM 359 CG GLN A 30 -10.465 0.294 -2.986 1.00 0.00 C ATOM 360 CD GLN A 30 -11.977 0.303 -2.875 1.00 0.00 C ATOM 361 OE1 GLN A 30 -12.669 0.874 -3.718 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.498 -0.332 -1.832 1.00 0.00 N ATOM 0 H GLN A 30 -8.656 3.001 -2.722 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.253 2.399 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.705 0.795 -1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -10.039 0.235 -0.890 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.165 0.876 -3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.123 -0.728 -3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.887 -0.792 -1.157 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.510 -0.360 -1.705 1.00 0.00 H new ATOM 371 N HIS A 31 -10.259 2.090 0.969 1.00 0.00 N ATOM 372 CA HIS A 31 -9.875 2.374 2.347 1.00 0.00 C ATOM 373 C HIS A 31 -9.511 1.089 3.086 1.00 0.00 C ATOM 374 O HIS A 31 -10.024 0.015 2.771 1.00 0.00 O ATOM 375 CB HIS A 31 -11.010 3.092 3.078 1.00 0.00 C ATOM 376 CG HIS A 31 -11.657 4.171 2.265 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.991 4.501 2.378 1.00 0.00 N ATOM 378 CD2 HIS A 31 -11.146 4.997 1.322 1.00 0.00 C ATOM 379 CE1 HIS A 31 -13.273 5.482 1.540 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.170 5.802 0.888 1.00 0.00 N ATOM 0 H HIS A 31 -11.004 1.400 0.872 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.999 3.022 2.327 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.766 2.361 3.365 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.621 3.526 3.999 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -13.657 4.057 3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.123 5.019 0.976 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.241 5.944 1.410 1.00 0.00 H new ATOM 389 N TYR A 32 -8.625 1.208 4.068 1.00 0.00 N ATOM 390 CA TYR A 32 -8.191 0.055 4.849 1.00 0.00 C ATOM 391 C TYR A 32 -7.774 0.476 6.255 1.00 0.00 C ATOM 392 O TYR A 32 -6.874 1.298 6.428 1.00 0.00 O ATOM 393 CB TYR A 32 -7.029 -0.652 4.150 1.00 0.00 C ATOM 394 CG TYR A 32 -7.361 -1.128 2.754 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.274 -0.268 1.666 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.760 -2.439 2.523 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.577 -0.699 0.389 1.00 0.00 C ATOM 398 CE2 TYR A 32 -8.064 -2.879 1.249 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.971 -2.005 0.186 1.00 0.00 C ATOM 400 OH TYR A 32 -8.273 -2.439 -1.085 1.00 0.00 O ATOM 0 H TYR A 32 -8.193 2.090 4.342 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.031 -0.635 4.930 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.178 0.028 4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.720 -1.506 4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.964 0.755 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.834 -3.126 3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.506 -0.017 -0.446 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.373 -3.901 1.086 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.066 -3.394 -1.163 1.00 0.00 H new ATOM 410 N HIS A 33 -8.436 -0.094 7.257 1.00 0.00 N ATOM 411 CA HIS A 33 -8.134 0.219 8.649 1.00 0.00 C ATOM 412 C HIS A 33 -6.707 -0.188 9.000 1.00 0.00 C ATOM 413 O HIS A 33 -6.148 -1.107 8.403 1.00 0.00 O ATOM 414 CB HIS A 33 -9.122 -0.487 9.578 1.00 0.00 C ATOM 415 CG HIS A 33 -10.554 -0.146 9.300 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.486 -1.081 8.902 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.212 1.034 9.366 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.655 -0.490 8.733 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.517 0.794 9.009 1.00 0.00 N ATOM 0 H HIS A 33 -9.185 -0.775 7.131 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.228 1.297 8.782 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.989 -1.565 9.485 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.888 -0.225 10.610 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.790 1.988 9.647 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.569 -0.975 8.422 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.258 1.493 8.964 1.00 0.00 H new ATOM 427 N GLY A 34 -6.122 0.503 9.974 1.00 0.00 N ATOM 428 CA GLY A 34 -4.764 0.199 10.387 1.00 0.00 C ATOM 429 C GLY A 34 -4.628 -1.205 10.941 1.00 0.00 C ATOM 430 O GLY A 34 -3.567 -1.821 10.836 1.00 0.00 O ATOM 0 H GLY A 34 -6.564 1.268 10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.093 0.317 9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.448 0.917 11.144 1.00 0.00 H new ATOM 434 N MET A 35 -5.703 -1.713 11.535 1.00 0.00 N ATOM 435 CA MET A 35 -5.698 -3.053 12.108 1.00 0.00 C ATOM 436 C MET A 35 -5.962 -4.105 11.035 1.00 0.00 C ATOM 437 O MET A 35 -5.343 -5.169 11.029 1.00 0.00 O ATOM 438 CB MET A 35 -6.749 -3.162 13.215 1.00 0.00 C ATOM 439 CG MET A 35 -6.367 -2.428 14.490 1.00 0.00 C ATOM 440 SD MET A 35 -5.053 -3.258 15.403 1.00 0.00 S ATOM 441 CE MET A 35 -3.651 -2.220 14.997 1.00 0.00 C ATOM 0 H MET A 35 -6.589 -1.216 11.632 1.00 0.00 H new ATOM 0 HA MET A 35 -4.711 -3.234 12.534 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.695 -2.765 12.847 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.913 -4.214 13.447 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.047 -1.416 14.240 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.246 -2.336 15.129 1.00 0.00 H new ATOM 0 HE1 MET A 35 -2.758 -2.837 14.898 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.841 -1.703 14.056 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.499 -1.487 15.789 1.00 0.00 H new ATOM 451 N CYS A 36 -6.884 -3.800 10.128 1.00 0.00 N ATOM 452 CA CYS A 36 -7.231 -4.718 9.051 1.00 0.00 C ATOM 453 C CYS A 36 -5.998 -5.082 8.228 1.00 0.00 C ATOM 454 O CYS A 36 -5.829 -6.231 7.817 1.00 0.00 O ATOM 455 CB CYS A 36 -8.296 -4.096 8.145 1.00 0.00 C ATOM 456 SG CYS A 36 -10.007 -4.445 8.661 1.00 0.00 S ATOM 0 H CYS A 36 -7.405 -2.923 10.118 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.630 -5.628 9.498 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.149 -3.016 8.118 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.152 -4.463 7.129 1.00 0.00 H new ATOM 461 N LEU A 37 -5.139 -4.097 7.993 1.00 0.00 N ATOM 462 CA LEU A 37 -3.920 -4.312 7.220 1.00 0.00 C ATOM 463 C LEU A 37 -2.704 -4.402 8.136 1.00 0.00 C ATOM 464 O LEU A 37 -1.575 -4.563 7.671 1.00 0.00 O ATOM 465 CB LEU A 37 -3.728 -3.181 6.208 1.00 0.00 C ATOM 466 CG LEU A 37 -4.356 -3.399 4.831 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.337 -2.110 4.025 1.00 0.00 C ATOM 468 CD2 LEU A 37 -3.631 -4.509 4.083 1.00 0.00 C ATOM 0 H LEU A 37 -5.263 -3.141 8.326 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.020 -5.256 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.141 -2.266 6.633 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.659 -3.016 6.076 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.394 -3.700 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.788 -2.285 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.902 -1.342 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.307 -1.777 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.092 -4.650 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.583 -4.237 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.698 -5.436 4.653 1.00 0.00 H new ATOM 480 N ASP A 38 -2.942 -4.301 9.439 1.00 0.00 N ATOM 481 CA ASP A 38 -1.866 -4.374 10.421 1.00 0.00 C ATOM 482 C ASP A 38 -0.805 -3.313 10.145 1.00 0.00 C ATOM 483 O ASP A 38 0.392 -3.570 10.276 1.00 0.00 O ATOM 484 CB ASP A 38 -1.229 -5.765 10.408 1.00 0.00 C ATOM 485 CG ASP A 38 -2.148 -6.828 10.977 1.00 0.00 C ATOM 486 OD1 ASP A 38 -3.382 -6.666 10.867 1.00 0.00 O ATOM 487 OD2 ASP A 38 -1.634 -7.821 11.533 1.00 0.00 O ATOM 0 H ASP A 38 -3.870 -4.168 9.840 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.293 -4.187 11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.962 -6.030 9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.304 -5.743 10.983 1.00 0.00 H new ATOM 492 N ILE A 39 -1.253 -2.122 9.763 1.00 0.00 N ATOM 493 CA ILE A 39 -0.342 -1.022 9.469 1.00 0.00 C ATOM 494 C ILE A 39 -0.258 -0.050 10.641 1.00 0.00 C ATOM 495 O ILE A 39 -1.234 0.155 11.362 1.00 0.00 O ATOM 496 CB ILE A 39 -0.778 -0.252 8.208 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.777 -1.181 6.992 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.139 0.939 7.972 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.512 -0.613 5.798 1.00 0.00 C ATOM 0 H ILE A 39 -2.241 -1.894 9.650 1.00 0.00 H new ATOM 0 HA ILE A 39 0.640 -1.463 9.294 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.792 0.119 8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.254 -1.393 6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.232 -2.131 7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.181 1.473 7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.094 1.609 8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.163 0.589 7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.471 -1.324 4.973 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.552 -0.427 6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.043 0.323 5.494 1.00 0.00 H new ATOM 511 N ALA A 40 0.915 0.547 10.824 1.00 0.00 N ATOM 512 CA ALA A 40 1.126 1.501 11.906 1.00 0.00 C ATOM 513 C ALA A 40 0.869 2.929 11.436 1.00 0.00 C ATOM 514 O ALA A 40 1.644 3.486 10.658 1.00 0.00 O ATOM 515 CB ALA A 40 2.538 1.370 12.457 1.00 0.00 C ATOM 0 H ALA A 40 1.734 0.387 10.237 1.00 0.00 H new ATOM 0 HA ALA A 40 0.416 1.275 12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.682 2.088 13.264 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.687 0.360 12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.258 1.568 11.663 1.00 0.00 H new ATOM 521 N VAL A 41 -0.224 3.517 11.912 1.00 0.00 N ATOM 522 CA VAL A 41 -0.582 4.881 11.541 1.00 0.00 C ATOM 523 C VAL A 41 0.553 5.851 11.851 1.00 0.00 C ATOM 524 O VAL A 41 0.977 5.981 13.000 1.00 0.00 O ATOM 525 CB VAL A 41 -1.855 5.346 12.274 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.212 6.769 11.873 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.009 4.397 11.990 1.00 0.00 C ATOM 0 H VAL A 41 -0.877 3.070 12.556 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.770 4.878 10.467 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.661 5.335 13.347 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.114 7.080 12.401 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.391 7.437 12.133 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.388 6.811 10.798 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.900 4.740 12.515 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.206 4.374 10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.749 3.395 12.333 1.00 0.00 H new ATOM 537 N THR A 42 1.041 6.531 10.819 1.00 0.00 N ATOM 538 CA THR A 42 2.128 7.489 10.980 1.00 0.00 C ATOM 539 C THR A 42 1.801 8.811 10.294 1.00 0.00 C ATOM 540 O THR A 42 1.007 8.871 9.355 1.00 0.00 O ATOM 541 CB THR A 42 3.449 6.941 10.409 1.00 0.00 C ATOM 542 OG1 THR A 42 3.218 6.335 9.132 1.00 0.00 O ATOM 543 CG2 THR A 42 4.066 5.922 11.355 1.00 0.00 C ATOM 0 H THR A 42 0.701 6.436 9.862 1.00 0.00 H new ATOM 0 HA THR A 42 2.246 7.657 12.051 1.00 0.00 H new ATOM 0 HB THR A 42 4.142 7.774 10.295 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.538 5.409 9.147 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.998 5.549 10.930 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.269 6.394 12.316 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.374 5.092 11.497 1.00 0.00 H new ATOM 551 N PRO A 43 2.426 9.897 10.773 1.00 0.00 N ATOM 552 CA PRO A 43 2.218 11.238 10.220 1.00 0.00 C ATOM 553 C PRO A 43 2.815 11.389 8.825 1.00 0.00 C ATOM 554 O PRO A 43 2.650 12.423 8.176 1.00 0.00 O ATOM 555 CB PRO A 43 2.944 12.148 11.213 1.00 0.00 C ATOM 556 CG PRO A 43 3.980 11.278 11.837 1.00 0.00 C ATOM 557 CD PRO A 43 3.384 9.899 11.891 1.00 0.00 C ATOM 0 HA PRO A 43 1.160 11.470 10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.396 13.003 10.709 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.258 12.545 11.961 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.899 11.283 11.251 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.237 11.632 12.836 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.145 9.128 11.770 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.889 9.712 12.844 1.00 0.00 H new ATOM 565 N LEU A 44 3.508 10.352 8.368 1.00 0.00 N ATOM 566 CA LEU A 44 4.129 10.369 7.048 1.00 0.00 C ATOM 567 C LEU A 44 3.345 9.506 6.066 1.00 0.00 C ATOM 568 O LEU A 44 3.115 9.900 4.922 1.00 0.00 O ATOM 569 CB LEU A 44 5.574 9.875 7.137 1.00 0.00 C ATOM 570 CG LEU A 44 6.389 9.948 5.845 1.00 0.00 C ATOM 571 CD1 LEU A 44 6.818 11.380 5.565 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.602 9.032 5.927 1.00 0.00 C ATOM 0 H LEU A 44 3.654 9.489 8.892 1.00 0.00 H new ATOM 0 HA LEU A 44 4.124 11.397 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.089 10.457 7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.563 8.840 7.478 1.00 0.00 H new ATOM 0 HG LEU A 44 5.760 9.611 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.397 11.413 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.935 12.011 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.430 11.744 6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.170 9.097 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.233 9.338 6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.272 8.004 6.080 1.00 0.00 H new ATOM 584 N LYS A 45 2.933 8.327 6.520 1.00 0.00 N ATOM 585 CA LYS A 45 2.170 7.408 5.683 1.00 0.00 C ATOM 586 C LYS A 45 0.888 8.066 5.181 1.00 0.00 C ATOM 587 O LYS A 45 0.582 8.021 3.990 1.00 0.00 O ATOM 588 CB LYS A 45 1.832 6.136 6.464 1.00 0.00 C ATOM 589 CG LYS A 45 2.977 5.141 6.531 1.00 0.00 C ATOM 590 CD LYS A 45 2.567 3.866 7.249 1.00 0.00 C ATOM 591 CE LYS A 45 3.770 3.146 7.837 1.00 0.00 C ATOM 592 NZ LYS A 45 4.324 2.132 6.897 1.00 0.00 N ATOM 0 H LYS A 45 3.115 7.985 7.464 1.00 0.00 H new ATOM 0 HA LYS A 45 2.784 7.145 4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.539 6.409 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.970 5.655 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.310 4.900 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.824 5.594 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.861 4.106 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.051 3.205 6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.544 3.873 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.482 2.659 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.505 1.245 7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.640 1.957 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.214 2.485 6.491 1.00 0.00 H new ATOM 606 N ARG A 46 0.144 8.676 6.098 1.00 0.00 N ATOM 607 CA ARG A 46 -1.104 9.343 5.748 1.00 0.00 C ATOM 608 C ARG A 46 -0.966 10.097 4.428 1.00 0.00 C ATOM 609 O ARG A 46 -1.724 9.864 3.487 1.00 0.00 O ATOM 610 CB ARG A 46 -1.520 10.309 6.859 1.00 0.00 C ATOM 611 CG ARG A 46 -1.754 9.631 8.199 1.00 0.00 C ATOM 612 CD ARG A 46 -1.786 10.641 9.336 1.00 0.00 C ATOM 613 NE ARG A 46 -1.317 10.064 10.593 1.00 0.00 N ATOM 614 CZ ARG A 46 -0.886 10.790 11.618 1.00 0.00 C ATOM 615 NH1 ARG A 46 -0.865 12.113 11.536 1.00 0.00 N ATOM 616 NH2 ARG A 46 -0.475 10.193 12.729 1.00 0.00 N ATOM 0 H ARG A 46 0.384 8.722 7.088 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.874 8.581 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.748 11.069 6.976 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.432 10.825 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.696 9.083 8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.965 8.901 8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.165 11.499 9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.803 11.011 9.464 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.321 9.049 10.689 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.181 12.576 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.533 12.668 12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.490 9.175 12.797 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.144 10.752 13.516 1.00 0.00 H new ATOM 630 N ALA A 47 0.005 11.002 4.369 1.00 0.00 N ATOM 631 CA ALA A 47 0.243 11.789 3.165 1.00 0.00 C ATOM 632 C ALA A 47 0.929 10.953 2.089 1.00 0.00 C ATOM 633 O ALA A 47 2.046 10.474 2.279 1.00 0.00 O ATOM 634 CB ALA A 47 1.079 13.017 3.495 1.00 0.00 C ATOM 0 H ALA A 47 0.640 11.209 5.140 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.722 12.113 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.249 13.596 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.551 13.632 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.037 12.704 3.911 1.00 0.00 H new ATOM 640 N GLY A 48 0.251 10.782 0.958 1.00 0.00 N ATOM 641 CA GLY A 48 0.810 10.003 -0.131 1.00 0.00 C ATOM 642 C GLY A 48 0.737 8.511 0.126 1.00 0.00 C ATOM 643 O GLY A 48 1.656 7.768 -0.221 1.00 0.00 O ATOM 0 H GLY A 48 -0.675 11.169 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.276 10.236 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.850 10.292 -0.284 1.00 0.00 H new ATOM 647 N TRP A 49 -0.358 8.071 0.736 1.00 0.00 N ATOM 648 CA TRP A 49 -0.546 6.657 1.041 1.00 0.00 C ATOM 649 C TRP A 49 -1.047 5.898 -0.183 1.00 0.00 C ATOM 650 O TRP A 49 -1.851 6.415 -0.957 1.00 0.00 O ATOM 651 CB TRP A 49 -1.533 6.491 2.198 1.00 0.00 C ATOM 652 CG TRP A 49 -1.521 5.116 2.796 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.579 4.596 3.636 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.496 4.087 2.597 1.00 0.00 C ATOM 655 NE1 TRP A 49 -0.909 3.305 3.972 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.082 2.970 3.348 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.680 4.001 1.860 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -2.809 1.783 3.380 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.401 2.823 1.892 1.00 0.00 C ATOM 660 CH2 TRP A 49 -3.965 1.727 2.649 1.00 0.00 C ATOM 0 H TRP A 49 -1.128 8.672 1.029 1.00 0.00 H new ATOM 0 HA TRP A 49 0.419 6.242 1.333 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.298 7.219 2.974 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.539 6.717 1.844 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.297 5.122 3.985 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.369 2.695 4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.025 4.841 1.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.473 0.937 3.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.316 2.745 1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.552 0.821 2.656 1.00 0.00 H new ATOM 671 N GLN A 50 -0.567 4.670 -0.350 1.00 0.00 N ATOM 672 CA GLN A 50 -0.967 3.842 -1.481 1.00 0.00 C ATOM 673 C GLN A 50 -1.256 2.413 -1.034 1.00 0.00 C ATOM 674 O GLN A 50 -0.414 1.762 -0.415 1.00 0.00 O ATOM 675 CB GLN A 50 0.125 3.842 -2.552 1.00 0.00 C ATOM 676 CG GLN A 50 -0.023 4.960 -3.572 1.00 0.00 C ATOM 677 CD GLN A 50 0.595 4.614 -4.912 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.601 5.199 -5.315 1.00 0.00 O ATOM 679 NE2 GLN A 50 -0.006 3.658 -5.611 1.00 0.00 N ATOM 0 H GLN A 50 0.099 4.227 0.283 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.880 4.264 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.097 3.930 -2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.113 2.884 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.081 5.182 -3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.444 5.865 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.838 3.200 -5.238 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.364 3.382 -6.521 1.00 0.00 H new ATOM 688 N CYS A 51 -2.453 1.929 -1.351 1.00 0.00 N ATOM 689 CA CYS A 51 -2.854 0.578 -0.982 1.00 0.00 C ATOM 690 C CYS A 51 -1.925 -0.457 -1.610 1.00 0.00 C ATOM 691 O CYS A 51 -1.289 -0.215 -2.636 1.00 0.00 O ATOM 692 CB CYS A 51 -4.297 0.315 -1.418 1.00 0.00 C ATOM 693 SG CYS A 51 -4.465 -0.208 -3.155 1.00 0.00 S ATOM 0 H CYS A 51 -3.162 2.454 -1.863 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.787 0.490 0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.725 -0.454 -0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.883 1.221 -1.264 1.00 0.00 H new ATOM 698 N PRO A 52 -1.843 -1.639 -0.980 1.00 0.00 N ATOM 699 CA PRO A 52 -0.995 -2.734 -1.460 1.00 0.00 C ATOM 700 C PRO A 52 -1.519 -3.349 -2.753 1.00 0.00 C ATOM 701 O PRO A 52 -0.909 -4.262 -3.308 1.00 0.00 O ATOM 702 CB PRO A 52 -1.056 -3.754 -0.320 1.00 0.00 C ATOM 703 CG PRO A 52 -2.348 -3.478 0.367 1.00 0.00 C ATOM 704 CD PRO A 52 -2.573 -1.996 0.248 1.00 0.00 C ATOM 0 HA PRO A 52 0.014 -2.396 -1.695 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.020 -4.775 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.213 -3.637 0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.163 -4.035 -0.096 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.307 -3.784 1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.633 -1.755 0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.187 -1.460 1.115 1.00 0.00 H new ATOM 712 N GLU A 53 -2.652 -2.841 -3.228 1.00 0.00 N ATOM 713 CA GLU A 53 -3.257 -3.342 -4.457 1.00 0.00 C ATOM 714 C GLU A 53 -2.871 -2.470 -5.648 1.00 0.00 C ATOM 715 O GLU A 53 -2.883 -2.922 -6.793 1.00 0.00 O ATOM 716 CB GLU A 53 -4.780 -3.391 -4.319 1.00 0.00 C ATOM 717 CG GLU A 53 -5.255 -4.103 -3.063 1.00 0.00 C ATOM 718 CD GLU A 53 -5.477 -5.587 -3.282 1.00 0.00 C ATOM 719 OE1 GLU A 53 -4.612 -6.228 -3.916 1.00 0.00 O ATOM 720 OE2 GLU A 53 -6.514 -6.107 -2.821 1.00 0.00 O ATOM 0 H GLU A 53 -3.169 -2.084 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.883 -4.351 -4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.169 -2.373 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.199 -3.892 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.520 -3.963 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.184 -3.647 -2.721 1.00 0.00 H new ATOM 727 N CYS A 54 -2.529 -1.216 -5.370 1.00 0.00 N ATOM 728 CA CYS A 54 -2.140 -0.279 -6.417 1.00 0.00 C ATOM 729 C CYS A 54 -0.642 0.004 -6.364 1.00 0.00 C ATOM 730 O CYS A 54 0.004 0.183 -7.397 1.00 0.00 O ATOM 731 CB CYS A 54 -2.922 1.029 -6.275 1.00 0.00 C ATOM 732 SG CYS A 54 -4.705 0.869 -6.613 1.00 0.00 S ATOM 0 H CYS A 54 -2.513 -0.825 -4.428 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.373 -0.732 -7.381 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.788 1.412 -5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.499 1.769 -6.955 1.00 0.00 H new ATOM 737 N LYS A 55 -0.094 0.042 -5.154 1.00 0.00 N ATOM 738 CA LYS A 55 1.328 0.301 -4.965 1.00 0.00 C ATOM 739 C LYS A 55 2.168 -0.566 -5.898 1.00 0.00 C ATOM 740 O LYS A 55 1.954 -1.774 -5.998 1.00 0.00 O ATOM 741 CB LYS A 55 1.726 0.039 -3.511 1.00 0.00 C ATOM 742 CG LYS A 55 3.219 -0.166 -3.317 1.00 0.00 C ATOM 743 CD LYS A 55 3.523 -0.813 -1.976 1.00 0.00 C ATOM 744 CE LYS A 55 3.180 0.112 -0.819 1.00 0.00 C ATOM 745 NZ LYS A 55 3.876 -0.285 0.435 1.00 0.00 N ATOM 0 H LYS A 55 -0.614 -0.104 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 55 1.516 1.348 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.400 0.878 -2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.197 -0.843 -3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.609 -0.791 -4.120 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.731 0.794 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.957 -1.740 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.579 -1.078 -1.930 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.454 1.135 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.103 0.103 -0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.826 0.494 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.417 -1.129 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.872 -0.499 0.226 1.00 0.00 H new ATOM 759 N VAL A 56 3.124 0.058 -6.578 1.00 0.00 N ATOM 760 CA VAL A 56 3.997 -0.657 -7.501 1.00 0.00 C ATOM 761 C VAL A 56 5.461 -0.318 -7.246 1.00 0.00 C ATOM 762 O VAL A 56 5.776 0.558 -6.439 1.00 0.00 O ATOM 763 CB VAL A 56 3.653 -0.331 -8.966 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.184 -0.608 -9.245 1.00 0.00 C ATOM 765 CG2 VAL A 56 4.002 1.115 -9.286 1.00 0.00 C ATOM 0 H VAL A 56 3.314 1.058 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 56 3.838 -1.721 -7.327 1.00 0.00 H new ATOM 0 HB VAL A 56 4.248 -0.976 -9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.960 -0.372 -10.285 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.970 -1.660 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.567 0.009 -8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.752 1.328 -10.325 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.435 1.779 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.069 1.275 -9.129 1.00 0.00 H new ATOM 775 N CYS A 57 6.354 -1.016 -7.939 1.00 0.00 N ATOM 776 CA CYS A 57 7.787 -0.790 -7.789 1.00 0.00 C ATOM 777 C CYS A 57 8.209 0.500 -8.486 1.00 0.00 C ATOM 778 O CYS A 57 8.166 0.598 -9.712 1.00 0.00 O ATOM 779 CB CYS A 57 8.573 -1.972 -8.360 1.00 0.00 C ATOM 780 SG CYS A 57 10.380 -1.818 -8.181 1.00 0.00 S ATOM 0 H CYS A 57 6.111 -1.744 -8.611 1.00 0.00 H new ATOM 0 HA CYS A 57 8.006 -0.696 -6.725 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.246 -2.886 -7.864 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.331 -2.079 -9.417 1.00 0.00 H new ATOM 785 N GLN A 58 8.618 1.487 -7.695 1.00 0.00 N ATOM 786 CA GLN A 58 9.048 2.771 -8.236 1.00 0.00 C ATOM 787 C GLN A 58 10.402 2.645 -8.926 1.00 0.00 C ATOM 788 O GLN A 58 10.946 3.627 -9.429 1.00 0.00 O ATOM 789 CB GLN A 58 9.125 3.817 -7.122 1.00 0.00 C ATOM 790 CG GLN A 58 7.764 4.280 -6.627 1.00 0.00 C ATOM 791 CD GLN A 58 7.138 5.325 -7.530 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.582 6.473 -7.570 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.102 4.932 -8.261 1.00 0.00 N ATOM 0 H GLN A 58 8.661 1.422 -6.678 1.00 0.00 H new ATOM 0 HA GLN A 58 8.313 3.090 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.685 3.403 -6.284 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.684 4.680 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.097 3.421 -6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.867 4.689 -5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.767 3.971 -8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.641 5.591 -8.888 1.00 0.00 H new ATOM 802 N ASN A 59 10.940 1.430 -8.945 1.00 0.00 N ATOM 803 CA ASN A 59 12.232 1.176 -9.572 1.00 0.00 C ATOM 804 C ASN A 59 12.052 0.664 -10.999 1.00 0.00 C ATOM 805 O ASN A 59 12.673 1.169 -11.934 1.00 0.00 O ATOM 806 CB ASN A 59 13.030 0.161 -8.751 1.00 0.00 C ATOM 807 CG ASN A 59 12.898 0.394 -7.259 1.00 0.00 C ATOM 808 OD1 ASN A 59 12.016 -0.166 -6.607 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.778 1.224 -6.709 1.00 0.00 N ATOM 0 H ASN A 59 10.502 0.606 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 59 12.782 2.116 -9.608 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.688 -0.846 -8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.081 0.216 -9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.739 1.419 -5.709 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.492 1.666 -7.287 1.00 0.00 H new ATOM 816 N CYS A 60 11.198 -0.341 -11.157 1.00 0.00 N ATOM 817 CA CYS A 60 10.935 -0.922 -12.468 1.00 0.00 C ATOM 818 C CYS A 60 9.504 -0.635 -12.914 1.00 0.00 C ATOM 819 O CYS A 60 9.192 -0.676 -14.104 1.00 0.00 O ATOM 820 CB CYS A 60 11.178 -2.433 -12.438 1.00 0.00 C ATOM 821 SG CYS A 60 9.957 -3.363 -11.457 1.00 0.00 S ATOM 0 H CYS A 60 10.676 -0.770 -10.393 1.00 0.00 H new ATOM 0 HA CYS A 60 11.618 -0.465 -13.183 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.171 -2.812 -13.460 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.173 -2.622 -12.034 1.00 0.00 H new ATOM 826 N LYS A 61 8.638 -0.345 -11.949 1.00 0.00 N ATOM 827 CA LYS A 61 7.240 -0.049 -12.240 1.00 0.00 C ATOM 828 C LYS A 61 6.547 -1.255 -12.866 1.00 0.00 C ATOM 829 O LYS A 61 5.964 -1.156 -13.945 1.00 0.00 O ATOM 830 CB LYS A 61 7.136 1.156 -13.178 1.00 0.00 C ATOM 831 CG LYS A 61 7.183 2.493 -12.459 1.00 0.00 C ATOM 832 CD LYS A 61 8.560 2.765 -11.878 1.00 0.00 C ATOM 833 CE LYS A 61 9.497 3.359 -12.918 1.00 0.00 C ATOM 834 NZ LYS A 61 9.263 4.817 -13.108 1.00 0.00 N ATOM 0 H LYS A 61 8.880 -0.309 -10.959 1.00 0.00 H new ATOM 0 HA LYS A 61 6.742 0.187 -11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.950 1.114 -13.902 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.205 1.088 -13.741 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.916 3.290 -13.153 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.441 2.504 -11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.471 3.449 -11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.983 1.837 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.530 3.194 -12.612 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.359 2.842 -13.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.921 5.184 -13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.285 4.973 -13.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.419 5.314 -12.208 1.00 0.00 H new ATOM 848 N GLN A 62 6.614 -2.392 -12.180 1.00 0.00 N ATOM 849 CA GLN A 62 5.992 -3.616 -12.670 1.00 0.00 C ATOM 850 C GLN A 62 5.329 -4.384 -11.531 1.00 0.00 C ATOM 851 O GLN A 62 6.007 -4.944 -10.670 1.00 0.00 O ATOM 852 CB GLN A 62 7.032 -4.501 -13.359 1.00 0.00 C ATOM 853 CG GLN A 62 7.462 -3.985 -14.723 1.00 0.00 C ATOM 854 CD GLN A 62 6.598 -4.519 -15.848 1.00 0.00 C ATOM 855 OE1 GLN A 62 5.516 -5.058 -15.614 1.00 0.00 O ATOM 856 NE2 GLN A 62 7.073 -4.373 -17.080 1.00 0.00 N ATOM 0 H GLN A 62 7.092 -2.491 -11.284 1.00 0.00 H new ATOM 0 HA GLN A 62 5.224 -3.339 -13.392 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.909 -4.583 -12.718 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.625 -5.506 -13.472 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.421 -2.896 -14.724 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.500 -4.265 -14.903 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.975 -3.920 -17.229 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.536 -4.714 -17.877 1.00 0.00 H new ATOM 865 N SER A 63 4.000 -4.405 -11.533 1.00 0.00 N ATOM 866 CA SER A 63 3.246 -5.100 -10.497 1.00 0.00 C ATOM 867 C SER A 63 3.120 -6.585 -10.820 1.00 0.00 C ATOM 868 O SER A 63 2.566 -6.963 -11.852 1.00 0.00 O ATOM 869 CB SER A 63 1.855 -4.480 -10.346 1.00 0.00 C ATOM 870 OG SER A 63 0.969 -4.969 -11.338 1.00 0.00 O ATOM 0 H SER A 63 3.424 -3.949 -12.240 1.00 0.00 H new ATOM 0 HA SER A 63 3.787 -4.995 -9.557 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.458 -4.706 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.927 -3.395 -10.421 1.00 0.00 H new ATOM 0 HG SER A 63 1.451 -5.577 -11.936 1.00 0.00 H new ATOM 876 N GLY A 64 3.640 -7.425 -9.929 1.00 0.00 N ATOM 877 CA GLY A 64 3.576 -8.860 -10.137 1.00 0.00 C ATOM 878 C GLY A 64 4.325 -9.634 -9.071 1.00 0.00 C ATOM 879 O GLY A 64 3.754 -10.496 -8.405 1.00 0.00 O ATOM 0 H GLY A 64 4.104 -7.137 -9.068 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.533 -9.177 -10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.991 -9.101 -11.116 1.00 0.00 H new ATOM 883 N GLU A 65 5.608 -9.326 -8.909 1.00 0.00 N ATOM 884 CA GLU A 65 6.436 -10.001 -7.917 1.00 0.00 C ATOM 885 C GLU A 65 6.175 -9.445 -6.520 1.00 0.00 C ATOM 886 O GLU A 65 7.107 -9.105 -5.792 1.00 0.00 O ATOM 887 CB GLU A 65 7.918 -9.851 -8.269 1.00 0.00 C ATOM 888 CG GLU A 65 8.391 -10.819 -9.341 1.00 0.00 C ATOM 889 CD GLU A 65 8.324 -12.265 -8.890 1.00 0.00 C ATOM 890 OE1 GLU A 65 9.056 -12.627 -7.946 1.00 0.00 O ATOM 891 OE2 GLU A 65 7.540 -13.035 -9.484 1.00 0.00 O ATOM 0 H GLU A 65 6.096 -8.614 -9.452 1.00 0.00 H new ATOM 0 HA GLU A 65 6.174 -11.059 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.101 -8.831 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.513 -10.000 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.780 -10.692 -10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.417 -10.576 -9.618 1.00 0.00 H new ATOM 898 N ASP A 66 4.901 -9.356 -6.155 1.00 0.00 N ATOM 899 CA ASP A 66 4.516 -8.842 -4.845 1.00 0.00 C ATOM 900 C ASP A 66 5.310 -9.527 -3.737 1.00 0.00 C ATOM 901 O ASP A 66 5.846 -8.868 -2.847 1.00 0.00 O ATOM 902 CB ASP A 66 3.017 -9.044 -4.616 1.00 0.00 C ATOM 903 CG ASP A 66 2.573 -8.573 -3.245 1.00 0.00 C ATOM 904 OD1 ASP A 66 3.265 -7.714 -2.660 1.00 0.00 O ATOM 905 OD2 ASP A 66 1.534 -9.065 -2.756 1.00 0.00 O ATOM 0 H ASP A 66 4.118 -9.633 -6.747 1.00 0.00 H new ATOM 0 HA ASP A 66 4.739 -7.775 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.459 -8.504 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.774 -10.100 -4.731 1.00 0.00 H new ATOM 910 N SER A 67 5.379 -10.853 -3.799 1.00 0.00 N ATOM 911 CA SER A 67 6.104 -11.627 -2.798 1.00 0.00 C ATOM 912 C SER A 67 7.499 -11.053 -2.572 1.00 0.00 C ATOM 913 O SER A 67 7.877 -10.734 -1.444 1.00 0.00 O ATOM 914 CB SER A 67 6.206 -13.091 -3.231 1.00 0.00 C ATOM 915 OG SER A 67 4.925 -13.690 -3.311 1.00 0.00 O ATOM 0 H SER A 67 4.942 -11.413 -4.531 1.00 0.00 H new ATOM 0 HA SER A 67 5.551 -11.570 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.701 -13.153 -4.200 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.824 -13.641 -2.522 1.00 0.00 H new ATOM 0 HG SER A 67 5.018 -14.624 -3.591 1.00 0.00 H new ATOM 921 N LYS A 68 8.261 -10.924 -3.653 1.00 0.00 N ATOM 922 CA LYS A 68 9.615 -10.388 -3.575 1.00 0.00 C ATOM 923 C LYS A 68 9.597 -8.863 -3.587 1.00 0.00 C ATOM 924 O LYS A 68 10.423 -8.228 -4.242 1.00 0.00 O ATOM 925 CB LYS A 68 10.459 -10.907 -4.741 1.00 0.00 C ATOM 926 CG LYS A 68 10.573 -12.421 -4.782 1.00 0.00 C ATOM 927 CD LYS A 68 11.816 -12.866 -5.535 1.00 0.00 C ATOM 928 CE LYS A 68 11.681 -14.296 -6.037 1.00 0.00 C ATOM 929 NZ LYS A 68 11.775 -15.284 -4.927 1.00 0.00 N ATOM 0 H LYS A 68 7.964 -11.183 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 68 10.058 -10.722 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.024 -10.558 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.459 -10.477 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.603 -12.812 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.687 -12.841 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.990 -12.198 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.685 -12.789 -4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.725 -14.413 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.461 -14.499 -6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.678 -16.246 -5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.697 -15.190 -4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.015 -15.107 -4.239 1.00 0.00 H new ATOM 943 N MET A 69 8.651 -8.281 -2.857 1.00 0.00 N ATOM 944 CA MET A 69 8.528 -6.830 -2.782 1.00 0.00 C ATOM 945 C MET A 69 8.580 -6.354 -1.333 1.00 0.00 C ATOM 946 O MET A 69 7.671 -6.625 -0.547 1.00 0.00 O ATOM 947 CB MET A 69 7.222 -6.372 -3.434 1.00 0.00 C ATOM 948 CG MET A 69 7.102 -4.862 -3.561 1.00 0.00 C ATOM 949 SD MET A 69 5.457 -4.337 -4.078 1.00 0.00 S ATOM 950 CE MET A 69 5.844 -3.436 -5.576 1.00 0.00 C ATOM 0 H MET A 69 7.959 -8.792 -2.309 1.00 0.00 H new ATOM 0 HA MET A 69 9.368 -6.392 -3.321 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.144 -6.819 -4.425 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.382 -6.747 -2.849 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.342 -4.401 -2.603 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.837 -4.502 -4.281 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.029 -3.551 -6.291 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.974 -2.379 -5.342 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.764 -3.828 -6.009 1.00 0.00 H new ATOM 960 N LEU A 70 9.648 -5.645 -0.986 1.00 0.00 N ATOM 961 CA LEU A 70 9.818 -5.131 0.369 1.00 0.00 C ATOM 962 C LEU A 70 8.996 -3.864 0.578 1.00 0.00 C ATOM 963 O LEU A 70 8.965 -2.982 -0.280 1.00 0.00 O ATOM 964 CB LEU A 70 11.295 -4.846 0.645 1.00 0.00 C ATOM 965 CG LEU A 70 12.211 -6.068 0.727 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.664 -5.638 0.857 1.00 0.00 C ATOM 967 CD2 LEU A 70 11.810 -6.958 1.894 1.00 0.00 C ATOM 0 H LEU A 70 10.409 -5.413 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 70 9.464 -5.890 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.670 -4.188 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.369 -4.298 1.584 1.00 0.00 H new ATOM 0 HG LEU A 70 12.104 -6.641 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.301 -6.521 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.946 -5.042 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.788 -5.042 1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.473 -7.822 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.887 -6.395 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.782 -7.295 1.758 1.00 0.00 H new ATOM 979 N VAL A 71 8.331 -3.779 1.726 1.00 0.00 N ATOM 980 CA VAL A 71 7.511 -2.618 2.051 1.00 0.00 C ATOM 981 C VAL A 71 8.028 -1.911 3.299 1.00 0.00 C ATOM 982 O VAL A 71 7.923 -2.433 4.409 1.00 0.00 O ATOM 983 CB VAL A 71 6.039 -3.014 2.271 1.00 0.00 C ATOM 984 CG1 VAL A 71 5.250 -1.844 2.838 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.420 -3.505 0.971 1.00 0.00 C ATOM 0 H VAL A 71 8.344 -4.501 2.447 1.00 0.00 H new ATOM 0 HA VAL A 71 7.574 -1.939 1.201 1.00 0.00 H new ATOM 0 HB VAL A 71 6.004 -3.829 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.212 -2.143 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.681 -1.543 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.290 -1.006 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.380 -3.781 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.466 -2.712 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.971 -4.374 0.611 1.00 0.00 H new ATOM 995 N CYS A 72 8.585 -0.720 3.110 1.00 0.00 N ATOM 996 CA CYS A 72 9.119 0.060 4.220 1.00 0.00 C ATOM 997 C CYS A 72 8.094 0.177 5.345 1.00 0.00 C ATOM 998 O CYS A 72 6.901 -0.046 5.138 1.00 0.00 O ATOM 999 CB CYS A 72 9.528 1.454 3.741 1.00 0.00 C ATOM 1000 SG CYS A 72 10.896 2.194 4.689 1.00 0.00 S ATOM 0 H CYS A 72 8.678 -0.273 2.198 1.00 0.00 H new ATOM 0 HA CYS A 72 9.998 -0.457 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.817 1.396 2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.662 2.114 3.797 1.00 0.00 H new ATOM 1005 N ASP A 73 8.568 0.529 6.535 1.00 0.00 N ATOM 1006 CA ASP A 73 7.694 0.677 7.693 1.00 0.00 C ATOM 1007 C ASP A 73 7.423 2.150 7.985 1.00 0.00 C ATOM 1008 O ASP A 73 6.649 2.485 8.882 1.00 0.00 O ATOM 1009 CB ASP A 73 8.317 0.007 8.919 1.00 0.00 C ATOM 1010 CG ASP A 73 8.101 -1.493 8.931 1.00 0.00 C ATOM 1011 OD1 ASP A 73 6.982 -1.929 9.275 1.00 0.00 O ATOM 1012 OD2 ASP A 73 9.050 -2.232 8.597 1.00 0.00 O ATOM 0 H ASP A 73 9.553 0.717 6.723 1.00 0.00 H new ATOM 0 HA ASP A 73 6.746 0.190 7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.386 0.217 8.940 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.889 0.440 9.823 1.00 0.00 H new ATOM 1017 N THR A 74 8.068 3.027 7.222 1.00 0.00 N ATOM 1018 CA THR A 74 7.899 4.464 7.399 1.00 0.00 C ATOM 1019 C THR A 74 7.188 5.086 6.203 1.00 0.00 C ATOM 1020 O THR A 74 6.025 5.480 6.296 1.00 0.00 O ATOM 1021 CB THR A 74 9.255 5.168 7.599 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.915 4.640 8.755 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.066 6.669 7.758 1.00 0.00 C ATOM 0 H THR A 74 8.712 2.767 6.475 1.00 0.00 H new ATOM 0 HA THR A 74 7.290 4.603 8.292 1.00 0.00 H new ATOM 0 HB THR A 74 9.868 4.986 6.716 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.777 5.091 8.874 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.036 7.145 7.898 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.589 7.072 6.865 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.437 6.867 8.626 1.00 0.00 H new ATOM 1031 N CYS A 75 7.893 5.171 5.080 1.00 0.00 N ATOM 1032 CA CYS A 75 7.329 5.745 3.864 1.00 0.00 C ATOM 1033 C CYS A 75 6.232 4.849 3.298 1.00 0.00 C ATOM 1034 O CYS A 75 5.266 5.331 2.706 1.00 0.00 O ATOM 1035 CB CYS A 75 8.425 5.953 2.817 1.00 0.00 C ATOM 1036 SG CYS A 75 9.178 4.407 2.213 1.00 0.00 S ATOM 0 H CYS A 75 8.856 4.849 4.987 1.00 0.00 H new ATOM 0 HA CYS A 75 6.890 6.710 4.117 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.005 6.496 1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.206 6.583 3.244 1.00 0.00 H new ATOM 1041 N ASP A 76 6.388 3.543 3.484 1.00 0.00 N ATOM 1042 CA ASP A 76 5.410 2.579 2.992 1.00 0.00 C ATOM 1043 C ASP A 76 5.480 2.460 1.473 1.00 0.00 C ATOM 1044 O ASP A 76 4.456 2.487 0.790 1.00 0.00 O ATOM 1045 CB ASP A 76 4.000 2.987 3.421 1.00 0.00 C ATOM 1046 CG ASP A 76 3.043 1.812 3.456 1.00 0.00 C ATOM 1047 OD1 ASP A 76 3.017 1.098 4.480 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.320 1.605 2.458 1.00 0.00 O ATOM 0 H ASP A 76 7.182 3.127 3.972 1.00 0.00 H new ATOM 0 HA ASP A 76 5.645 1.607 3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.043 3.447 4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.619 3.742 2.734 1.00 0.00 H new ATOM 1053 N LYS A 77 6.694 2.331 0.949 1.00 0.00 N ATOM 1054 CA LYS A 77 6.898 2.209 -0.489 1.00 0.00 C ATOM 1055 C LYS A 77 7.316 0.790 -0.860 1.00 0.00 C ATOM 1056 O LYS A 77 8.091 0.154 -0.147 1.00 0.00 O ATOM 1057 CB LYS A 77 7.961 3.205 -0.960 1.00 0.00 C ATOM 1058 CG LYS A 77 7.523 4.656 -0.857 1.00 0.00 C ATOM 1059 CD LYS A 77 6.603 5.044 -2.002 1.00 0.00 C ATOM 1060 CE LYS A 77 7.384 5.304 -3.281 1.00 0.00 C ATOM 1061 NZ LYS A 77 8.006 6.657 -3.285 1.00 0.00 N ATOM 0 H LYS A 77 7.552 2.308 1.500 1.00 0.00 H new ATOM 0 HA LYS A 77 5.954 2.433 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.866 3.065 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.220 2.985 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.011 4.816 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.400 5.303 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.878 4.249 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.039 5.937 -1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.160 4.547 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.719 5.208 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.529 6.796 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.263 7.381 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.660 6.741 -2.481 1.00 0.00 H new ATOM 1075 N GLY A 78 6.799 0.300 -1.983 1.00 0.00 N ATOM 1076 CA GLY A 78 7.131 -1.040 -2.430 1.00 0.00 C ATOM 1077 C GLY A 78 8.391 -1.075 -3.273 1.00 0.00 C ATOM 1078 O GLY A 78 8.557 -0.266 -4.186 1.00 0.00 O ATOM 0 H GLY A 78 6.156 0.807 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.260 -1.687 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.300 -1.443 -3.008 1.00 0.00 H new ATOM 1082 N TYR A 79 9.281 -2.011 -2.966 1.00 0.00 N ATOM 1083 CA TYR A 79 10.534 -2.145 -3.699 1.00 0.00 C ATOM 1084 C TYR A 79 10.959 -3.608 -3.789 1.00 0.00 C ATOM 1085 O TYR A 79 11.138 -4.278 -2.772 1.00 0.00 O ATOM 1086 CB TYR A 79 11.634 -1.323 -3.025 1.00 0.00 C ATOM 1087 CG TYR A 79 11.254 0.121 -2.791 1.00 0.00 C ATOM 1088 CD1 TYR A 79 10.901 0.948 -3.851 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.247 0.659 -1.510 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.553 2.268 -3.642 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.899 1.979 -1.291 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.554 2.779 -2.360 1.00 0.00 C ATOM 1093 OH TYR A 79 10.207 4.093 -2.148 1.00 0.00 O ATOM 0 H TYR A 79 9.158 -2.689 -2.214 1.00 0.00 H new ATOM 0 HA TYR A 79 10.376 -1.769 -4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.886 -1.783 -2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.532 -1.358 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.899 0.551 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.518 0.035 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.282 2.897 -4.477 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.897 2.381 -0.289 1.00 0.00 H new ATOM 0 HH TYR A 79 10.451 4.627 -2.933 1.00 0.00 H new ATOM 1103 N HIS A 80 11.120 -4.096 -5.015 1.00 0.00 N ATOM 1104 CA HIS A 80 11.525 -5.479 -5.240 1.00 0.00 C ATOM 1105 C HIS A 80 12.961 -5.706 -4.778 1.00 0.00 C ATOM 1106 O HIS A 80 13.848 -4.895 -5.048 1.00 0.00 O ATOM 1107 CB HIS A 80 11.391 -5.837 -6.721 1.00 0.00 C ATOM 1108 CG HIS A 80 9.997 -5.692 -7.248 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.716 -5.226 -8.515 1.00 0.00 N ATOM 1110 CD2 HIS A 80 8.800 -5.956 -6.672 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.407 -5.208 -8.695 1.00 0.00 C ATOM 1112 NE2 HIS A 80 7.829 -5.647 -7.592 1.00 0.00 N ATOM 0 H HIS A 80 10.976 -3.555 -5.867 1.00 0.00 H new ATOM 0 HA HIS A 80 10.868 -6.124 -4.657 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.058 -5.201 -7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.722 -6.865 -6.869 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.639 -6.338 -5.675 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.897 -4.889 -9.592 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.824 -5.741 -7.447 1.00 0.00 H new ATOM 1120 N THR A 81 13.184 -6.814 -4.078 1.00 0.00 N ATOM 1121 CA THR A 81 14.511 -7.147 -3.577 1.00 0.00 C ATOM 1122 C THR A 81 15.568 -6.976 -4.662 1.00 0.00 C ATOM 1123 O THR A 81 16.639 -6.419 -4.418 1.00 0.00 O ATOM 1124 CB THR A 81 14.565 -8.592 -3.046 1.00 0.00 C ATOM 1125 OG1 THR A 81 13.985 -9.487 -4.002 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.828 -8.710 -1.721 1.00 0.00 C ATOM 0 H THR A 81 12.462 -7.496 -3.845 1.00 0.00 H new ATOM 0 HA THR A 81 14.721 -6.459 -2.758 1.00 0.00 H new ATOM 0 HB THR A 81 15.610 -8.858 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.025 -10.404 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.880 -9.739 -1.366 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.290 -8.049 -0.987 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.785 -8.426 -1.858 1.00 0.00 H new ATOM 1134 N PHE A 82 15.261 -7.459 -5.861 1.00 0.00 N ATOM 1135 CA PHE A 82 16.186 -7.360 -6.985 1.00 0.00 C ATOM 1136 C PHE A 82 16.275 -5.923 -7.490 1.00 0.00 C ATOM 1137 O PHE A 82 17.243 -5.544 -8.151 1.00 0.00 O ATOM 1138 CB PHE A 82 15.743 -8.285 -8.120 1.00 0.00 C ATOM 1139 CG PHE A 82 14.263 -8.256 -8.375 1.00 0.00 C ATOM 1140 CD1 PHE A 82 13.411 -9.106 -7.689 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.724 -7.378 -9.302 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.049 -9.081 -7.921 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.362 -7.348 -9.537 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.524 -8.202 -8.847 1.00 0.00 C ATOM 0 H PHE A 82 14.379 -7.923 -6.080 1.00 0.00 H new ATOM 0 HA PHE A 82 17.173 -7.667 -6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.266 -8.002 -9.033 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.043 -9.306 -7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.816 -9.797 -6.964 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.375 -6.710 -9.847 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.396 -9.748 -7.378 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.953 -6.657 -10.260 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.460 -8.182 -9.032 1.00 0.00 H new ATOM 1154 N CYS A 83 15.258 -5.127 -7.176 1.00 0.00 N ATOM 1155 CA CYS A 83 15.219 -3.732 -7.598 1.00 0.00 C ATOM 1156 C CYS A 83 15.745 -2.816 -6.497 1.00 0.00 C ATOM 1157 O CYS A 83 15.381 -1.641 -6.424 1.00 0.00 O ATOM 1158 CB CYS A 83 13.791 -3.331 -7.972 1.00 0.00 C ATOM 1159 SG CYS A 83 13.132 -4.201 -9.431 1.00 0.00 S ATOM 0 H CYS A 83 14.449 -5.425 -6.630 1.00 0.00 H new ATOM 0 HA CYS A 83 15.860 -3.624 -8.473 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.137 -3.523 -7.122 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.764 -2.258 -8.159 1.00 0.00 H new ATOM 1164 N LEU A 84 16.603 -3.360 -5.641 1.00 0.00 N ATOM 1165 CA LEU A 84 17.180 -2.593 -4.543 1.00 0.00 C ATOM 1166 C LEU A 84 18.679 -2.393 -4.747 1.00 0.00 C ATOM 1167 O LEU A 84 19.358 -3.254 -5.306 1.00 0.00 O ATOM 1168 CB LEU A 84 16.925 -3.300 -3.211 1.00 0.00 C ATOM 1169 CG LEU A 84 15.479 -3.292 -2.714 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.351 -4.101 -1.432 1.00 0.00 C ATOM 1171 CD2 LEU A 84 14.997 -1.865 -2.497 1.00 0.00 C ATOM 0 H LEU A 84 16.915 -4.330 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 84 16.701 -1.614 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.251 -4.336 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.552 -2.836 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 84 14.851 -3.754 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.315 -4.084 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.655 -5.131 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.991 -3.668 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.966 -1.879 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 84 15.629 -1.377 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.051 -1.316 -3.437 1.00 0.00 H new ATOM 1183 N GLN A 85 19.187 -1.254 -4.287 1.00 0.00 N ATOM 1184 CA GLN A 85 20.605 -0.943 -4.418 1.00 0.00 C ATOM 1185 C GLN A 85 21.226 -0.651 -3.056 1.00 0.00 C ATOM 1186 O GLN A 85 21.037 0.419 -2.477 1.00 0.00 O ATOM 1187 CB GLN A 85 20.803 0.254 -5.349 1.00 0.00 C ATOM 1188 CG GLN A 85 22.234 0.766 -5.386 1.00 0.00 C ATOM 1189 CD GLN A 85 23.242 -0.336 -5.641 1.00 0.00 C ATOM 1190 OE1 GLN A 85 23.057 -1.170 -6.529 1.00 0.00 O ATOM 1191 NE2 GLN A 85 24.317 -0.348 -4.862 1.00 0.00 N ATOM 0 H GLN A 85 18.638 -0.532 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 85 21.104 -1.813 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.500 -0.027 -6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.145 1.063 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 85 22.325 1.523 -6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 85 22.466 1.253 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 85 24.430 0.362 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 85 25.029 -1.067 -4.987 1.00 0.00 H new ATOM 1200 N PRO A 86 21.985 -1.624 -2.530 1.00 0.00 N ATOM 1201 CA PRO A 86 22.216 -2.902 -3.209 1.00 0.00 C ATOM 1202 C PRO A 86 20.963 -3.770 -3.255 1.00 0.00 C ATOM 1203 O PRO A 86 19.908 -3.381 -2.752 1.00 0.00 O ATOM 1204 CB PRO A 86 23.297 -3.568 -2.353 1.00 0.00 C ATOM 1205 CG PRO A 86 23.135 -2.965 -1.001 1.00 0.00 C ATOM 1206 CD PRO A 86 22.675 -1.552 -1.231 1.00 0.00 C ATOM 0 HA PRO A 86 22.503 -2.763 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.167 -4.650 -2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.292 -3.378 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.407 -3.521 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.075 -2.985 -0.450 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.007 -1.213 -0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.514 -0.856 -1.260 1.00 0.00 H new ATOM 1214 N VAL A 87 21.085 -4.947 -3.860 1.00 0.00 N ATOM 1215 CA VAL A 87 19.962 -5.870 -3.970 1.00 0.00 C ATOM 1216 C VAL A 87 19.811 -6.704 -2.703 1.00 0.00 C ATOM 1217 O VAL A 87 20.791 -6.992 -2.017 1.00 0.00 O ATOM 1218 CB VAL A 87 20.127 -6.814 -5.176 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.298 -8.075 -4.985 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.743 -6.103 -6.465 1.00 0.00 C ATOM 0 H VAL A 87 21.951 -5.284 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 87 19.067 -5.264 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 87 21.175 -7.105 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.427 -8.730 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 87 19.626 -8.593 -4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.246 -7.807 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.866 -6.784 -7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.703 -5.781 -6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.385 -5.233 -6.606 1.00 0.00 H new ATOM 1230 N MET A 88 18.576 -7.089 -2.399 1.00 0.00 N ATOM 1231 CA MET A 88 18.296 -7.893 -1.214 1.00 0.00 C ATOM 1232 C MET A 88 18.182 -9.371 -1.574 1.00 0.00 C ATOM 1233 O MET A 88 17.080 -9.911 -1.680 1.00 0.00 O ATOM 1234 CB MET A 88 17.006 -7.418 -0.543 1.00 0.00 C ATOM 1235 CG MET A 88 17.168 -6.125 0.241 1.00 0.00 C ATOM 1236 SD MET A 88 18.136 -6.343 1.746 1.00 0.00 S ATOM 1237 CE MET A 88 16.838 -6.409 2.977 1.00 0.00 C ATOM 0 H MET A 88 17.753 -6.858 -2.956 1.00 0.00 H new ATOM 0 HA MET A 88 19.126 -7.770 -0.518 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.240 -7.277 -1.306 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.647 -8.198 0.129 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.649 -5.379 -0.391 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.183 -5.736 0.500 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.964 -5.588 3.683 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.868 -6.321 2.488 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.891 -7.358 3.511 1.00 0.00 H new ATOM 1247 N LYS A 89 19.326 -10.019 -1.761 1.00 0.00 N ATOM 1248 CA LYS A 89 19.355 -11.435 -2.108 1.00 0.00 C ATOM 1249 C LYS A 89 18.222 -12.188 -1.418 1.00 0.00 C ATOM 1250 O LYS A 89 17.615 -13.086 -2.002 1.00 0.00 O ATOM 1251 CB LYS A 89 20.702 -12.049 -1.719 1.00 0.00 C ATOM 1252 CG LYS A 89 21.889 -11.398 -2.407 1.00 0.00 C ATOM 1253 CD LYS A 89 21.901 -11.694 -3.897 1.00 0.00 C ATOM 1254 CE LYS A 89 22.839 -10.758 -4.643 1.00 0.00 C ATOM 1255 NZ LYS A 89 22.209 -9.435 -4.907 1.00 0.00 N ATOM 0 H LYS A 89 20.246 -9.586 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 89 19.221 -11.522 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.830 -11.969 -0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.691 -13.112 -1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.856 -10.320 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 89 22.814 -11.757 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.209 -12.727 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.892 -11.595 -4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 89 23.750 -10.617 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 89 23.132 -11.215 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.931 -8.768 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.469 -9.541 -5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.786 -9.071 -4.030 1.00 0.00 H new ATOM 1269 N SER A 90 17.943 -11.816 -0.173 1.00 0.00 N ATOM 1270 CA SER A 90 16.884 -12.458 0.597 1.00 0.00 C ATOM 1271 C SER A 90 15.998 -11.417 1.275 1.00 0.00 C ATOM 1272 O SER A 90 16.260 -10.217 1.198 1.00 0.00 O ATOM 1273 CB SER A 90 17.485 -13.395 1.647 1.00 0.00 C ATOM 1274 OG SER A 90 18.038 -14.551 1.042 1.00 0.00 O ATOM 0 H SER A 90 18.435 -11.074 0.324 1.00 0.00 H new ATOM 0 HA SER A 90 16.270 -13.040 -0.090 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.258 -12.870 2.208 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.715 -13.687 2.361 1.00 0.00 H new ATOM 0 HG SER A 90 18.417 -15.133 1.734 1.00 0.00 H new ATOM 1280 N VAL A 91 14.946 -11.887 1.939 1.00 0.00 N ATOM 1281 CA VAL A 91 14.021 -10.999 2.632 1.00 0.00 C ATOM 1282 C VAL A 91 14.210 -11.078 4.143 1.00 0.00 C ATOM 1283 O VAL A 91 14.307 -12.158 4.726 1.00 0.00 O ATOM 1284 CB VAL A 91 12.557 -11.336 2.291 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.606 -10.538 3.169 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.281 -11.076 0.818 1.00 0.00 C ATOM 0 H VAL A 91 14.714 -12.878 2.011 1.00 0.00 H new ATOM 0 HA VAL A 91 14.242 -9.987 2.294 1.00 0.00 H new ATOM 0 HB VAL A 91 12.391 -12.395 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.577 -10.790 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.789 -10.779 4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.770 -9.472 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.242 -11.319 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.464 -10.025 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.938 -11.697 0.210 1.00 0.00 H new ATOM 1296 N PRO A 92 14.264 -9.907 4.794 1.00 0.00 N ATOM 1297 CA PRO A 92 14.441 -9.816 6.247 1.00 0.00 C ATOM 1298 C PRO A 92 13.213 -10.297 7.012 1.00 0.00 C ATOM 1299 O PRO A 92 12.111 -10.356 6.464 1.00 0.00 O ATOM 1300 CB PRO A 92 14.668 -8.321 6.484 1.00 0.00 C ATOM 1301 CG PRO A 92 14.000 -7.650 5.334 1.00 0.00 C ATOM 1302 CD PRO A 92 14.156 -8.580 4.164 1.00 0.00 C ATOM 0 HA PRO A 92 15.258 -10.446 6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.238 -8.001 7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.731 -8.082 6.519 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.947 -7.465 5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.458 -6.683 5.127 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.302 -8.524 3.490 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.042 -8.341 3.576 1.00 0.00 H new ATOM 1310 N THR A 93 13.408 -10.640 8.281 1.00 0.00 N ATOM 1311 CA THR A 93 12.317 -11.116 9.121 1.00 0.00 C ATOM 1312 C THR A 93 11.287 -10.018 9.360 1.00 0.00 C ATOM 1313 O THR A 93 10.136 -10.132 8.941 1.00 0.00 O ATOM 1314 CB THR A 93 12.834 -11.623 10.480 1.00 0.00 C ATOM 1315 OG1 THR A 93 13.847 -12.616 10.280 1.00 0.00 O ATOM 1316 CG2 THR A 93 11.699 -12.209 11.307 1.00 0.00 C ATOM 0 H THR A 93 14.313 -10.597 8.750 1.00 0.00 H new ATOM 0 HA THR A 93 11.846 -11.942 8.588 1.00 0.00 H new ATOM 0 HB THR A 93 13.257 -10.777 11.021 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.172 -12.932 11.149 1.00 0.00 H new ATOM 0 HG21 THR A 93 12.089 -12.560 12.262 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.944 -11.443 11.483 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.250 -13.044 10.769 1.00 0.00 H new ATOM 1324 N ASN A 94 11.709 -8.954 10.034 1.00 0.00 N ATOM 1325 CA ASN A 94 10.823 -7.834 10.328 1.00 0.00 C ATOM 1326 C ASN A 94 11.623 -6.564 10.602 1.00 0.00 C ATOM 1327 O ASN A 94 12.766 -6.623 11.052 1.00 0.00 O ATOM 1328 CB ASN A 94 9.935 -8.161 11.531 1.00 0.00 C ATOM 1329 CG ASN A 94 9.090 -6.979 11.964 1.00 0.00 C ATOM 1330 OD1 ASN A 94 7.966 -6.799 11.493 1.00 0.00 O ATOM 1331 ND2 ASN A 94 9.628 -6.165 12.865 1.00 0.00 N ATOM 0 H ASN A 94 12.660 -8.844 10.387 1.00 0.00 H new ATOM 0 HA ASN A 94 10.193 -7.663 9.455 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.283 -8.998 11.281 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.560 -8.482 12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.107 -5.352 13.194 1.00 0.00 H new ATOM 0 HD22 ASN A 94 10.563 -6.353 13.228 1.00 0.00 H new ATOM 1338 N GLY A 95 11.012 -5.415 10.328 1.00 0.00 N ATOM 1339 CA GLY A 95 11.681 -4.147 10.552 1.00 0.00 C ATOM 1340 C GLY A 95 12.641 -3.793 9.433 1.00 0.00 C ATOM 1341 O GLY A 95 13.858 -3.859 9.607 1.00 0.00 O ATOM 0 H GLY A 95 10.066 -5.340 9.955 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.935 -3.358 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.226 -4.189 11.495 1.00 0.00 H new ATOM 1345 N TRP A 96 12.093 -3.417 8.283 1.00 0.00 N ATOM 1346 CA TRP A 96 12.910 -3.053 7.131 1.00 0.00 C ATOM 1347 C TRP A 96 12.790 -1.564 6.828 1.00 0.00 C ATOM 1348 O TRP A 96 11.757 -0.947 7.092 1.00 0.00 O ATOM 1349 CB TRP A 96 12.495 -3.871 5.907 1.00 0.00 C ATOM 1350 CG TRP A 96 13.366 -3.633 4.711 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.620 -4.132 4.498 1.00 0.00 C ATOM 1352 CD2 TRP A 96 13.050 -2.835 3.565 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.101 -3.693 3.288 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.157 -2.896 2.696 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.939 -2.077 3.187 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.183 -2.227 1.476 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.966 -1.413 1.976 1.00 0.00 C ATOM 1358 CH2 TRP A 96 13.082 -1.492 1.131 1.00 0.00 C ATOM 0 H TRP A 96 11.087 -3.356 8.123 1.00 0.00 H new ATOM 0 HA TRP A 96 13.950 -3.273 7.370 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.521 -4.931 6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.464 -3.630 5.650 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.154 -4.777 5.180 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.013 -3.923 2.894 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.074 -2.011 3.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.042 -2.286 0.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 11.113 -0.823 1.675 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.072 -0.962 0.190 1.00 0.00 H new ATOM 1369 N LYS A 97 13.851 -0.990 6.271 1.00 0.00 N ATOM 1370 CA LYS A 97 13.864 0.428 5.930 1.00 0.00 C ATOM 1371 C LYS A 97 14.475 0.650 4.550 1.00 0.00 C ATOM 1372 O LYS A 97 15.335 -0.114 4.110 1.00 0.00 O ATOM 1373 CB LYS A 97 14.648 1.219 6.980 1.00 0.00 C ATOM 1374 CG LYS A 97 14.150 2.641 7.167 1.00 0.00 C ATOM 1375 CD LYS A 97 15.205 3.521 7.815 1.00 0.00 C ATOM 1376 CE LYS A 97 15.183 3.394 9.331 1.00 0.00 C ATOM 1377 NZ LYS A 97 14.195 4.320 9.951 1.00 0.00 N ATOM 0 H LYS A 97 14.714 -1.485 6.046 1.00 0.00 H new ATOM 0 HA LYS A 97 12.833 0.782 5.913 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.592 0.695 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.699 1.246 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.870 3.059 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.251 2.635 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.191 3.245 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.036 4.560 7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.941 2.367 9.606 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.176 3.604 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.210 4.203 10.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.440 5.301 9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.243 4.103 9.592 1.00 0.00 H new ATOM 1391 N CYS A 98 14.026 1.700 3.871 1.00 0.00 N ATOM 1392 CA CYS A 98 14.529 2.024 2.542 1.00 0.00 C ATOM 1393 C CYS A 98 15.628 3.079 2.618 1.00 0.00 C ATOM 1394 O CYS A 98 15.912 3.621 3.686 1.00 0.00 O ATOM 1395 CB CYS A 98 13.389 2.521 1.650 1.00 0.00 C ATOM 1396 SG CYS A 98 12.837 4.216 2.026 1.00 0.00 S ATOM 0 H CYS A 98 13.314 2.342 4.220 1.00 0.00 H new ATOM 0 HA CYS A 98 14.951 1.117 2.109 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.710 2.477 0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.541 1.843 1.750 1.00 0.00 H new ATOM 1401 N LYS A 99 16.243 3.368 1.476 1.00 0.00 N ATOM 1402 CA LYS A 99 17.310 4.359 1.411 1.00 0.00 C ATOM 1403 C LYS A 99 16.749 5.772 1.539 1.00 0.00 C ATOM 1404 O LYS A 99 17.369 6.643 2.148 1.00 0.00 O ATOM 1405 CB LYS A 99 18.081 4.223 0.095 1.00 0.00 C ATOM 1406 CG LYS A 99 18.887 5.459 -0.268 1.00 0.00 C ATOM 1407 CD LYS A 99 18.061 6.445 -1.077 1.00 0.00 C ATOM 1408 CE LYS A 99 18.169 6.171 -2.569 1.00 0.00 C ATOM 1409 NZ LYS A 99 17.162 6.942 -3.349 1.00 0.00 N ATOM 0 H LYS A 99 16.020 2.929 0.582 1.00 0.00 H new ATOM 0 HA LYS A 99 17.990 4.180 2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.754 3.368 0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.376 4.010 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.244 5.942 0.642 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.768 5.166 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.017 6.385 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.397 7.461 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.170 6.429 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 99 18.033 5.105 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.706 6.315 -4.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.442 7.325 -2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.633 7.725 -3.846 1.00 0.00 H new ATOM 1423 N ASN A 100 15.571 5.991 0.963 1.00 0.00 N ATOM 1424 CA ASN A 100 14.926 7.298 1.015 1.00 0.00 C ATOM 1425 C ASN A 100 14.515 7.645 2.442 1.00 0.00 C ATOM 1426 O ASN A 100 14.318 8.814 2.776 1.00 0.00 O ATOM 1427 CB ASN A 100 13.701 7.321 0.099 1.00 0.00 C ATOM 1428 CG ASN A 100 14.077 7.404 -1.368 1.00 0.00 C ATOM 1429 OD1 ASN A 100 14.941 8.191 -1.755 1.00 0.00 O ATOM 1430 ND2 ASN A 100 13.428 6.590 -2.192 1.00 0.00 N ATOM 0 H ASN A 100 15.044 5.280 0.455 1.00 0.00 H new ATOM 0 HA ASN A 100 15.643 8.044 0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.107 6.423 0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.072 8.173 0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.638 6.601 -3.190 1.00 0.00 H new ATOM 0 HD22 ASN A 100 12.719 5.954 -1.827 1.00 0.00 H new ATOM 1437 N CYS A 101 14.388 6.623 3.281 1.00 0.00 N ATOM 1438 CA CYS A 101 14.001 6.818 4.673 1.00 0.00 C ATOM 1439 C CYS A 101 15.230 6.902 5.573 1.00 0.00 C ATOM 1440 O CYS A 101 15.416 7.880 6.298 1.00 0.00 O ATOM 1441 CB CYS A 101 13.092 5.678 5.137 1.00 0.00 C ATOM 1442 SG CYS A 101 11.319 5.970 4.836 1.00 0.00 S ATOM 0 H CYS A 101 14.548 5.650 3.021 1.00 0.00 H new ATOM 0 HA CYS A 101 13.456 7.759 4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.389 4.761 4.629 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.246 5.516 6.204 1.00 0.00 H new ATOM 1447 N ARG A 102 16.066 5.870 5.522 1.00 0.00 N ATOM 1448 CA ARG A 102 17.276 5.826 6.332 1.00 0.00 C ATOM 1449 C ARG A 102 18.020 7.157 6.272 1.00 0.00 C ATOM 1450 O ARG A 102 18.819 7.473 7.153 1.00 0.00 O ATOM 1451 CB ARG A 102 18.192 4.696 5.859 1.00 0.00 C ATOM 1452 CG ARG A 102 18.664 4.856 4.423 1.00 0.00 C ATOM 1453 CD ARG A 102 19.955 5.656 4.346 1.00 0.00 C ATOM 1454 NE ARG A 102 21.129 4.827 4.607 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.737 4.100 3.676 1.00 0.00 C ATOM 1456 NH1 ARG A 102 21.284 4.101 2.430 1.00 0.00 N ATOM 1457 NH2 ARG A 102 22.800 3.371 3.991 1.00 0.00 N ATOM 0 H ARG A 102 15.927 5.053 4.928 1.00 0.00 H new ATOM 0 HA ARG A 102 16.984 5.639 7.365 1.00 0.00 H new ATOM 0 HB2 ARG A 102 19.061 4.646 6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.664 3.747 5.956 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.817 3.873 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 102 17.891 5.354 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.043 6.108 3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.920 6.472 5.068 1.00 0.00 H new ATOM 0 HE ARG A 102 21.502 4.805 5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.467 4.661 2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.752 3.542 1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 102 23.151 3.368 4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.266 2.813 3.275 1.00 0.00 H new ATOM 1471 N ILE A 103 17.751 7.932 5.226 1.00 0.00 N ATOM 1472 CA ILE A 103 18.394 9.228 5.051 1.00 0.00 C ATOM 1473 C ILE A 103 18.547 9.950 6.385 1.00 0.00 C ATOM 1474 O ILE A 103 17.559 10.341 7.008 1.00 0.00 O ATOM 1475 CB ILE A 103 17.600 10.125 4.083 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.508 9.467 2.704 1.00 0.00 C ATOM 1477 CG2 ILE A 103 18.248 11.497 3.979 1.00 0.00 C ATOM 1478 CD1 ILE A 103 18.802 8.829 2.251 1.00 0.00 C ATOM 0 H ILE A 103 17.092 7.685 4.488 1.00 0.00 H new ATOM 0 HA ILE A 103 19.380 9.036 4.629 1.00 0.00 H new ATOM 0 HB ILE A 103 16.590 10.251 4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.726 8.708 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 103 17.206 10.216 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 103 17.675 12.119 3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 103 18.267 11.966 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 103 19.268 11.391 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.662 8.383 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.583 9.588 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.095 8.056 2.962 1.00 0.00 H new ATOM 1490 N CYS A 104 19.791 10.126 6.818 1.00 0.00 N ATOM 1491 CA CYS A 104 20.074 10.803 8.078 1.00 0.00 C ATOM 1492 C CYS A 104 19.818 12.302 7.960 1.00 0.00 C ATOM 1493 O CYS A 104 19.633 12.825 6.861 1.00 0.00 O ATOM 1494 CB CYS A 104 21.522 10.552 8.502 1.00 0.00 C ATOM 1495 SG CYS A 104 21.808 8.921 9.226 1.00 0.00 S ATOM 0 H CYS A 104 20.620 9.809 6.315 1.00 0.00 H new ATOM 0 HA CYS A 104 19.405 10.398 8.838 1.00 0.00 H new ATOM 0 HB2 CYS A 104 22.169 10.670 7.633 1.00 0.00 H new ATOM 0 HB3 CYS A 104 21.815 11.314 9.224 1.00 0.00 H new ATOM 0 HG CYS A 104 23.062 8.804 9.550 1.00 0.00 H new ATOM 1501 N ILE A 105 19.807 12.986 9.099 1.00 0.00 N ATOM 1502 CA ILE A 105 19.572 14.425 9.123 1.00 0.00 C ATOM 1503 C ILE A 105 20.830 15.193 8.730 1.00 0.00 C ATOM 1504 O ILE A 105 21.673 15.497 9.574 1.00 0.00 O ATOM 1505 CB ILE A 105 19.109 14.897 10.514 1.00 0.00 C ATOM 1506 CG1 ILE A 105 17.818 14.182 10.915 1.00 0.00 C ATOM 1507 CG2 ILE A 105 18.911 16.405 10.522 1.00 0.00 C ATOM 1508 CD1 ILE A 105 17.491 14.305 12.387 1.00 0.00 C ATOM 0 H ILE A 105 19.958 12.568 10.017 1.00 0.00 H new ATOM 0 HA ILE A 105 18.783 14.629 8.399 1.00 0.00 H new ATOM 0 HB ILE A 105 19.881 14.648 11.242 1.00 0.00 H new ATOM 0 HG12 ILE A 105 16.991 14.588 10.332 1.00 0.00 H new ATOM 0 HG13 ILE A 105 17.902 13.126 10.657 1.00 0.00 H new ATOM 0 HG21 ILE A 105 18.584 16.724 11.512 1.00 0.00 H new ATOM 0 HG22 ILE A 105 19.852 16.897 10.275 1.00 0.00 H new ATOM 0 HG23 ILE A 105 18.155 16.677 9.785 1.00 0.00 H new ATOM 0 HD11 ILE A 105 16.563 13.774 12.599 1.00 0.00 H new ATOM 0 HD12 ILE A 105 18.299 13.873 12.977 1.00 0.00 H new ATOM 0 HD13 ILE A 105 17.375 15.357 12.647 1.00 0.00 H new ATOM 1520 N SER A 106 20.948 15.505 7.443 1.00 0.00 N ATOM 1521 CA SER A 106 22.103 16.237 6.937 1.00 0.00 C ATOM 1522 C SER A 106 21.667 17.366 6.009 1.00 0.00 C ATOM 1523 O SER A 106 20.890 17.155 5.079 1.00 0.00 O ATOM 1524 CB SER A 106 23.050 15.290 6.197 1.00 0.00 C ATOM 1525 OG SER A 106 22.498 14.885 4.956 1.00 0.00 O ATOM 0 H SER A 106 20.258 15.262 6.732 1.00 0.00 H new ATOM 0 HA SER A 106 22.627 16.672 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 106 24.007 15.785 6.029 1.00 0.00 H new ATOM 0 HB3 SER A 106 23.248 14.414 6.814 1.00 0.00 H new ATOM 0 HG SER A 106 21.734 15.458 4.735 1.00 0.00 H new ATOM 1531 N GLY A 107 22.175 18.567 6.269 1.00 0.00 N ATOM 1532 CA GLY A 107 21.827 19.713 5.449 1.00 0.00 C ATOM 1533 C GLY A 107 21.389 20.906 6.275 1.00 0.00 C ATOM 1534 O GLY A 107 21.173 20.806 7.483 1.00 0.00 O ATOM 0 H GLY A 107 22.821 18.767 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 107 22.686 19.993 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 107 21.026 19.436 4.764 1.00 0.00 H new ATOM 1538 N PRO A 108 21.253 22.068 5.619 1.00 0.00 N ATOM 1539 CA PRO A 108 20.838 23.308 6.282 1.00 0.00 C ATOM 1540 C PRO A 108 19.378 23.271 6.718 1.00 0.00 C ATOM 1541 O PRO A 108 18.488 23.690 5.977 1.00 0.00 O ATOM 1542 CB PRO A 108 21.047 24.374 5.203 1.00 0.00 C ATOM 1543 CG PRO A 108 20.943 23.634 3.914 1.00 0.00 C ATOM 1544 CD PRO A 108 21.494 22.260 4.179 1.00 0.00 C ATOM 0 HA PRO A 108 21.403 23.490 7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.294 25.159 5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 108 22.019 24.856 5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.908 23.581 3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 108 21.508 24.136 3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 108 20.987 21.502 3.582 1.00 0.00 H new ATOM 0 HD3 PRO A 108 22.555 22.199 3.937 1.00 0.00 H new ATOM 1552 N SER A 109 19.138 22.767 7.924 1.00 0.00 N ATOM 1553 CA SER A 109 17.784 22.673 8.458 1.00 0.00 C ATOM 1554 C SER A 109 17.188 24.060 8.675 1.00 0.00 C ATOM 1555 O SER A 109 17.628 24.808 9.548 1.00 0.00 O ATOM 1556 CB SER A 109 17.785 21.894 9.775 1.00 0.00 C ATOM 1557 OG SER A 109 17.845 20.498 9.542 1.00 0.00 O ATOM 0 H SER A 109 19.863 22.417 8.550 1.00 0.00 H new ATOM 0 HA SER A 109 17.169 22.142 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 109 18.636 22.201 10.382 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.886 22.133 10.343 1.00 0.00 H new ATOM 0 HG SER A 109 17.846 20.023 10.399 1.00 0.00 H new ATOM 1563 N SER A 110 16.182 24.397 7.874 1.00 0.00 N ATOM 1564 CA SER A 110 15.527 25.696 7.974 1.00 0.00 C ATOM 1565 C SER A 110 14.114 25.550 8.531 1.00 0.00 C ATOM 1566 O SER A 110 13.632 24.439 8.749 1.00 0.00 O ATOM 1567 CB SER A 110 15.479 26.375 6.604 1.00 0.00 C ATOM 1568 OG SER A 110 14.493 25.783 5.776 1.00 0.00 O ATOM 0 H SER A 110 15.803 23.788 7.149 1.00 0.00 H new ATOM 0 HA SER A 110 16.107 26.315 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.265 27.437 6.728 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.454 26.301 6.123 1.00 0.00 H new ATOM 0 HG SER A 110 14.481 26.236 4.907 1.00 0.00 H new ATOM 1574 N GLY A 111 13.453 26.681 8.758 1.00 0.00 N ATOM 1575 CA GLY A 111 12.102 26.659 9.287 1.00 0.00 C ATOM 1576 C GLY A 111 11.054 26.561 8.196 1.00 0.00 C ATOM 1577 O GLY A 111 10.656 25.452 7.846 1.00 0.00 O ATOM 0 H GLY A 111 13.830 27.613 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 111 11.995 25.813 9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 111 11.929 27.562 9.872 1.00 0.00 H new TER 1581 GLY A 111 HETATM 1582 ZN ZN A 301 -11.342 -2.832 7.874 1.00 0.00 ZN HETATM 1583 ZN ZN A 501 -5.358 1.397 -4.399 1.00 0.00 ZN HETATM 1584 ZN ZN A 701 10.858 -3.769 -9.420 1.00 0.00 ZN HETATM 1585 ZN ZN A 901 11.069 4.117 3.397 1.00 0.00 ZN