USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot -90:sc= -6.67! USER MOD Set 1.2: A 34 THR OG1 : rot -15:sc= -0.718 USER MOD Single : A 2 SER OG : rot 180:sc= -1.23! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.48! K(o=-2.5!,f=0) USER MOD Single : A 22 GLN : amide:sc= -4.58! K(o=-4.6!,f=-1.3) USER MOD Single : A 24 SER OG : rot 77:sc= -2.11! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -6.65! C(o=-6.7!,f=-3.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.0438 K(o=0.044,f=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc=-0.00609 (180deg=-0.163) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 0.0941 (180deg=0.0522) USER MOD Single : A 74 SER OG : rot -164:sc= -3.02! USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 9.795 7.244 6.571 1.00 0.00 N ATOM 41 CA SER A 2 10.506 7.396 7.870 1.00 0.00 C ATOM 42 C SER A 2 11.845 6.645 7.808 1.00 0.00 C ATOM 43 O SER A 2 12.122 5.957 6.846 1.00 0.00 O ATOM 44 CB SER A 2 9.626 6.843 8.999 1.00 0.00 C ATOM 45 OG SER A 2 10.082 5.551 9.371 1.00 0.00 O ATOM 0 HA SER A 2 10.705 8.450 8.066 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.658 7.512 9.859 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.587 6.793 8.672 1.00 0.00 H new ATOM 0 HG SER A 2 9.519 5.201 10.093 1.00 0.00 H new ATOM 51 N PRO A 3 12.647 6.816 8.831 1.00 0.00 N ATOM 52 CA PRO A 3 13.979 6.181 8.907 1.00 0.00 C ATOM 53 C PRO A 3 13.878 4.660 8.743 1.00 0.00 C ATOM 54 O PRO A 3 14.851 3.997 8.446 1.00 0.00 O ATOM 55 CB PRO A 3 14.507 6.544 10.301 1.00 0.00 C ATOM 56 CG PRO A 3 13.491 7.519 10.949 1.00 0.00 C ATOM 57 CD PRO A 3 12.294 7.650 9.995 1.00 0.00 C ATOM 0 HA PRO A 3 14.640 6.526 8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.621 5.649 10.912 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.490 7.008 10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.167 7.144 11.920 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.951 8.492 11.121 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.374 7.304 10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.132 8.688 9.704 1.00 0.00 H new ATOM 65 N GLU A 4 12.715 4.104 8.932 1.00 0.00 N ATOM 66 CA GLU A 4 12.567 2.630 8.783 1.00 0.00 C ATOM 67 C GLU A 4 11.092 2.284 8.594 1.00 0.00 C ATOM 68 O GLU A 4 10.576 1.361 9.193 1.00 0.00 O ATOM 69 CB GLU A 4 13.100 1.929 10.035 1.00 0.00 C ATOM 70 CG GLU A 4 12.690 2.718 11.278 1.00 0.00 C ATOM 71 CD GLU A 4 13.199 1.999 12.530 1.00 0.00 C ATOM 72 OE1 GLU A 4 14.006 1.095 12.382 1.00 0.00 O ATOM 73 OE2 GLU A 4 12.772 2.361 13.613 1.00 0.00 O ATOM 0 H GLU A 4 11.862 4.605 9.183 1.00 0.00 H new ATOM 0 HA GLU A 4 13.134 2.296 7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.707 0.914 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.186 1.849 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.100 3.727 11.233 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.605 2.816 11.318 1.00 0.00 H new ATOM 80 N GLU A 5 10.408 3.012 7.756 1.00 0.00 N ATOM 81 CA GLU A 5 8.971 2.720 7.520 1.00 0.00 C ATOM 82 C GLU A 5 8.772 2.363 6.052 1.00 0.00 C ATOM 83 O GLU A 5 7.769 1.797 5.669 1.00 0.00 O ATOM 84 CB GLU A 5 8.136 3.937 7.864 1.00 0.00 C ATOM 85 CG GLU A 5 7.436 3.713 9.207 1.00 0.00 C ATOM 86 CD GLU A 5 6.345 2.653 9.046 1.00 0.00 C ATOM 87 OE1 GLU A 5 6.520 1.771 8.222 1.00 0.00 O ATOM 88 OE2 GLU A 5 5.354 2.739 9.753 1.00 0.00 O ATOM 0 H GLU A 5 10.785 3.797 7.225 1.00 0.00 H new ATOM 0 HA GLU A 5 8.659 1.886 8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.769 4.823 7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.398 4.117 7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.160 3.394 9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.000 4.647 9.562 1.00 0.00 H new ATOM 95 N LEU A 6 9.722 2.694 5.224 1.00 0.00 N ATOM 96 CA LEU A 6 9.590 2.382 3.791 1.00 0.00 C ATOM 97 C LEU A 6 9.756 0.887 3.623 1.00 0.00 C ATOM 98 O LEU A 6 8.913 0.207 3.073 1.00 0.00 O ATOM 99 CB LEU A 6 10.684 3.090 2.990 1.00 0.00 C ATOM 100 CG LEU A 6 10.050 3.757 1.791 1.00 0.00 C ATOM 101 CD1 LEU A 6 11.078 4.645 1.085 1.00 0.00 C ATOM 102 CD2 LEU A 6 9.538 2.695 0.822 1.00 0.00 C ATOM 0 H LEU A 6 10.585 3.169 5.488 1.00 0.00 H new ATOM 0 HA LEU A 6 8.617 2.715 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.189 3.830 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.441 2.374 2.668 1.00 0.00 H new ATOM 0 HG LEU A 6 9.215 4.373 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.614 5.123 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.433 5.410 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.919 4.036 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.082 3.180 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.370 2.073 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.796 2.073 1.323 1.00 0.00 H new ATOM 114 N LYS A 7 10.840 0.367 4.105 1.00 0.00 N ATOM 115 CA LYS A 7 11.065 -1.091 3.988 1.00 0.00 C ATOM 116 C LYS A 7 10.332 -1.802 5.124 1.00 0.00 C ATOM 117 O LYS A 7 10.273 -3.014 5.179 1.00 0.00 O ATOM 118 CB LYS A 7 12.556 -1.383 4.055 1.00 0.00 C ATOM 119 CG LYS A 7 12.900 -2.453 3.013 1.00 0.00 C ATOM 120 CD LYS A 7 14.412 -2.714 3.010 1.00 0.00 C ATOM 121 CE LYS A 7 14.943 -2.710 4.444 1.00 0.00 C ATOM 122 NZ LYS A 7 16.106 -3.637 4.551 1.00 0.00 N ATOM 0 H LYS A 7 11.580 0.888 4.575 1.00 0.00 H new ATOM 0 HA LYS A 7 10.681 -1.452 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.127 -0.474 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.828 -1.727 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.364 -3.375 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.577 -2.127 2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.623 -3.673 2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.921 -1.950 2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.242 -1.701 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.157 -3.016 5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.465 -3.632 5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.807 -4.600 4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.858 -3.326 3.904 1.00 0.00 H new ATOM 136 N GLY A 8 9.772 -1.052 6.034 1.00 0.00 N ATOM 137 CA GLY A 8 9.041 -1.677 7.168 1.00 0.00 C ATOM 138 C GLY A 8 7.618 -2.013 6.725 1.00 0.00 C ATOM 139 O GLY A 8 7.113 -3.086 6.994 1.00 0.00 O ATOM 0 H GLY A 8 9.790 -0.032 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.556 -2.581 7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.018 -0.998 8.020 1.00 0.00 H new ATOM 143 N ILE A 9 6.966 -1.109 6.044 1.00 0.00 N ATOM 144 CA ILE A 9 5.581 -1.388 5.586 1.00 0.00 C ATOM 145 C ILE A 9 5.612 -2.508 4.552 1.00 0.00 C ATOM 146 O ILE A 9 4.910 -3.486 4.661 1.00 0.00 O ATOM 147 CB ILE A 9 4.993 -0.121 4.981 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.479 -0.246 4.910 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.545 0.120 3.589 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.884 0.272 6.216 1.00 0.00 C ATOM 0 H ILE A 9 7.334 -0.193 5.787 1.00 0.00 H new ATOM 0 HA ILE A 9 4.961 -1.701 6.426 1.00 0.00 H new ATOM 0 HB ILE A 9 5.267 0.723 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.092 0.325 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.193 -1.286 4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.110 1.031 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.629 0.227 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.294 -0.724 2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.798 0.188 6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.265 -0.318 7.049 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.163 1.317 6.354 1.00 0.00 H new ATOM 162 N PHE A 10 6.445 -2.393 3.566 1.00 0.00 N ATOM 163 CA PHE A 10 6.536 -3.480 2.557 1.00 0.00 C ATOM 164 C PHE A 10 6.682 -4.862 3.209 1.00 0.00 C ATOM 165 O PHE A 10 5.740 -5.617 3.310 1.00 0.00 O ATOM 166 CB PHE A 10 7.711 -3.224 1.603 1.00 0.00 C ATOM 167 CG PHE A 10 7.263 -3.050 0.174 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.945 -2.728 -0.179 1.00 0.00 C ATOM 169 CD2 PHE A 10 8.195 -3.356 -0.816 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.574 -2.726 -1.536 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.834 -3.323 -2.154 1.00 0.00 C ATOM 172 CZ PHE A 10 6.530 -3.023 -2.522 1.00 0.00 C ATOM 0 H PHE A 10 7.066 -1.598 3.412 1.00 0.00 H new ATOM 0 HA PHE A 10 5.603 -3.478 1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.248 -2.332 1.924 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.412 -4.057 1.662 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.221 -2.484 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.205 -3.620 -0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.557 -2.497 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.572 -3.532 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.250 -3.018 -3.565 1.00 0.00 H new ATOM 182 N GLU A 11 7.850 -5.203 3.645 1.00 0.00 N ATOM 183 CA GLU A 11 8.065 -6.542 4.283 1.00 0.00 C ATOM 184 C GLU A 11 6.934 -6.855 5.267 1.00 0.00 C ATOM 185 O GLU A 11 6.714 -7.988 5.647 1.00 0.00 O ATOM 186 CB GLU A 11 9.400 -6.537 5.029 1.00 0.00 C ATOM 187 CG GLU A 11 9.398 -5.425 6.080 1.00 0.00 C ATOM 188 CD GLU A 11 9.148 -6.030 7.463 1.00 0.00 C ATOM 189 OE1 GLU A 11 8.760 -7.186 7.521 1.00 0.00 O ATOM 190 OE2 GLU A 11 9.348 -5.328 8.439 1.00 0.00 O ATOM 0 H GLU A 11 8.681 -4.614 3.592 1.00 0.00 H new ATOM 0 HA GLU A 11 8.075 -7.306 3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.564 -7.503 5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.220 -6.386 4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.352 -4.898 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.626 -4.692 5.847 1.00 0.00 H new ATOM 197 N LYS A 12 6.225 -5.852 5.679 1.00 0.00 N ATOM 198 CA LYS A 12 5.099 -6.049 6.640 1.00 0.00 C ATOM 199 C LYS A 12 3.830 -6.448 5.883 1.00 0.00 C ATOM 200 O LYS A 12 3.485 -7.609 5.787 1.00 0.00 O ATOM 201 CB LYS A 12 4.852 -4.748 7.408 1.00 0.00 C ATOM 202 CG LYS A 12 3.640 -4.917 8.327 1.00 0.00 C ATOM 203 CD LYS A 12 3.802 -4.016 9.554 1.00 0.00 C ATOM 204 CE LYS A 12 4.305 -4.849 10.734 1.00 0.00 C ATOM 205 NZ LYS A 12 5.683 -4.412 11.098 1.00 0.00 N ATOM 0 H LYS A 12 6.375 -4.885 5.390 1.00 0.00 H new ATOM 0 HA LYS A 12 5.359 -6.843 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.733 -4.488 7.995 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.680 -3.929 6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.726 -4.660 7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.547 -5.958 8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.504 -3.211 9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.849 -3.549 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.637 -4.731 11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.304 -5.907 10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.026 -4.978 11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.316 -4.546 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.669 -3.407 11.364 1.00 0.00 H new ATOM 219 N TYR A 13 3.136 -5.479 5.351 1.00 0.00 N ATOM 220 CA TYR A 13 1.884 -5.762 4.600 1.00 0.00 C ATOM 221 C TYR A 13 2.238 -6.261 3.201 1.00 0.00 C ATOM 222 O TYR A 13 1.568 -7.115 2.655 1.00 0.00 O ATOM 223 CB TYR A 13 1.053 -4.483 4.476 1.00 0.00 C ATOM 224 CG TYR A 13 0.929 -3.815 5.825 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.956 -2.988 6.291 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.212 -4.020 6.608 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.842 -2.365 7.536 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.326 -3.394 7.855 1.00 0.00 C ATOM 229 CZ TYR A 13 0.704 -2.566 8.319 1.00 0.00 C ATOM 230 OH TYR A 13 0.598 -1.948 9.548 1.00 0.00 O ATOM 0 H TYR A 13 3.388 -4.492 5.407 1.00 0.00 H new ATOM 0 HA TYR A 13 1.309 -6.519 5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.522 -3.802 3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.063 -4.719 4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.838 -2.831 5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.004 -4.661 6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.636 -1.726 7.894 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.208 -3.549 8.459 1.00 0.00 H new ATOM 0 HH TYR A 13 0.976 -2.529 10.240 1.00 0.00 H new ATOM 240 N ALA A 14 3.289 -5.751 2.609 1.00 0.00 N ATOM 241 CA ALA A 14 3.649 -6.242 1.253 1.00 0.00 C ATOM 242 C ALA A 14 4.012 -7.716 1.373 1.00 0.00 C ATOM 243 O ALA A 14 3.981 -8.450 0.412 1.00 0.00 O ATOM 244 CB ALA A 14 4.855 -5.466 0.702 1.00 0.00 C ATOM 0 H ALA A 14 3.899 -5.032 2.999 1.00 0.00 H new ATOM 0 HA ALA A 14 2.809 -6.100 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.105 -5.839 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.608 -4.406 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.709 -5.602 1.366 1.00 0.00 H new ATOM 250 N ASP A 15 4.363 -8.143 2.562 1.00 0.00 N ATOM 251 CA ASP A 15 4.757 -9.565 2.783 1.00 0.00 C ATOM 252 C ASP A 15 3.510 -10.445 2.868 1.00 0.00 C ATOM 253 O ASP A 15 3.563 -11.636 2.639 1.00 0.00 O ATOM 254 CB ASP A 15 5.547 -9.673 4.093 1.00 0.00 C ATOM 255 CG ASP A 15 5.717 -11.145 4.470 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.420 -11.841 3.756 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.143 -11.551 5.467 1.00 0.00 O ATOM 0 H ASP A 15 4.393 -7.558 3.397 1.00 0.00 H new ATOM 0 HA ASP A 15 5.375 -9.901 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.523 -9.201 3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.025 -9.141 4.889 1.00 0.00 H new ATOM 262 N LYS A 16 2.391 -9.869 3.200 1.00 0.00 N ATOM 263 CA LYS A 16 1.142 -10.668 3.308 1.00 0.00 C ATOM 264 C LYS A 16 0.879 -11.405 1.993 1.00 0.00 C ATOM 265 O LYS A 16 0.135 -12.364 1.950 1.00 0.00 O ATOM 266 CB LYS A 16 -0.016 -9.720 3.604 1.00 0.00 C ATOM 267 CG LYS A 16 -0.897 -10.313 4.704 1.00 0.00 C ATOM 268 CD LYS A 16 -0.203 -10.142 6.056 1.00 0.00 C ATOM 269 CE LYS A 16 -0.768 -8.913 6.770 1.00 0.00 C ATOM 270 NZ LYS A 16 0.004 -8.666 8.021 1.00 0.00 N ATOM 0 H LYS A 16 2.287 -8.875 3.402 1.00 0.00 H new ATOM 0 HA LYS A 16 1.240 -11.402 4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.367 -8.748 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.605 -9.556 2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.867 -9.817 4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.081 -11.369 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.352 -11.031 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.872 -10.030 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.711 -8.042 6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.821 -9.068 7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.380 -7.830 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.072 -9.494 8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.003 -8.501 7.785 1.00 0.00 H new ATOM 284 N GLU A 17 1.476 -10.965 0.919 1.00 0.00 N ATOM 285 CA GLU A 17 1.247 -11.645 -0.386 1.00 0.00 C ATOM 286 C GLU A 17 2.584 -12.039 -1.017 1.00 0.00 C ATOM 287 O GLU A 17 3.362 -11.199 -1.424 1.00 0.00 O ATOM 288 CB GLU A 17 0.497 -10.703 -1.320 1.00 0.00 C ATOM 289 CG GLU A 17 -0.981 -11.091 -1.344 1.00 0.00 C ATOM 290 CD GLU A 17 -1.681 -10.387 -2.508 1.00 0.00 C ATOM 291 OE1 GLU A 17 -1.120 -10.375 -3.591 1.00 0.00 O ATOM 292 OE2 GLU A 17 -2.765 -9.870 -2.295 1.00 0.00 O ATOM 0 H GLU A 17 2.110 -10.167 0.889 1.00 0.00 H new ATOM 0 HA GLU A 17 0.656 -12.546 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.609 -9.672 -0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.916 -10.758 -2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.081 -12.171 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.455 -10.815 -0.402 1.00 0.00 H new ATOM 299 N GLY A 18 2.852 -13.313 -1.105 1.00 0.00 N ATOM 300 CA GLY A 18 4.134 -13.768 -1.714 1.00 0.00 C ATOM 301 C GLY A 18 5.312 -13.180 -0.935 1.00 0.00 C ATOM 302 O GLY A 18 5.623 -13.611 0.157 1.00 0.00 O ATOM 0 H GLY A 18 2.237 -14.060 -0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.186 -14.857 -1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.183 -13.456 -2.757 1.00 0.00 H new ATOM 306 N ASP A 19 5.968 -12.200 -1.490 1.00 0.00 N ATOM 307 CA ASP A 19 7.128 -11.587 -0.784 1.00 0.00 C ATOM 308 C ASP A 19 6.668 -10.330 -0.058 1.00 0.00 C ATOM 309 O ASP A 19 5.505 -10.005 -0.054 1.00 0.00 O ATOM 310 CB ASP A 19 8.193 -11.179 -1.801 1.00 0.00 C ATOM 311 CG ASP A 19 9.578 -11.551 -1.266 1.00 0.00 C ATOM 312 OD1 ASP A 19 9.637 -12.260 -0.274 1.00 0.00 O ATOM 313 OD2 ASP A 19 10.554 -11.122 -1.858 1.00 0.00 O ATOM 0 H ASP A 19 5.752 -11.797 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 19 7.536 -12.311 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.013 -11.679 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.140 -10.107 -1.989 1.00 0.00 H new ATOM 318 N GLY A 20 7.591 -9.602 0.501 1.00 0.00 N ATOM 319 CA GLY A 20 7.257 -8.324 1.191 1.00 0.00 C ATOM 320 C GLY A 20 7.788 -7.205 0.311 1.00 0.00 C ATOM 321 O GLY A 20 7.970 -6.083 0.740 1.00 0.00 O ATOM 0 H GLY A 20 8.582 -9.842 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.180 -8.229 1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.712 -8.288 2.181 1.00 0.00 H new ATOM 325 N ASN A 21 8.055 -7.519 -0.932 1.00 0.00 N ATOM 326 CA ASN A 21 8.589 -6.508 -1.859 1.00 0.00 C ATOM 327 C ASN A 21 7.481 -6.077 -2.830 1.00 0.00 C ATOM 328 O ASN A 21 7.674 -5.242 -3.688 1.00 0.00 O ATOM 329 CB ASN A 21 9.772 -7.110 -2.623 1.00 0.00 C ATOM 330 CG ASN A 21 11.039 -7.016 -1.774 1.00 0.00 C ATOM 331 OD1 ASN A 21 12.134 -6.975 -2.300 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.941 -6.978 -0.476 1.00 0.00 N ATOM 0 H ASN A 21 7.920 -8.446 -1.336 1.00 0.00 H new ATOM 0 HA ASN A 21 8.931 -5.632 -1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.565 -8.151 -2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.915 -6.581 -3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.782 -6.914 0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.023 -7.012 -0.033 1.00 0.00 H new ATOM 339 N GLN A 22 6.313 -6.641 -2.690 1.00 0.00 N ATOM 340 CA GLN A 22 5.168 -6.239 -3.575 1.00 0.00 C ATOM 341 C GLN A 22 3.889 -6.227 -2.733 1.00 0.00 C ATOM 342 O GLN A 22 3.755 -6.967 -1.779 1.00 0.00 O ATOM 343 CB GLN A 22 4.988 -7.183 -4.771 1.00 0.00 C ATOM 344 CG GLN A 22 6.321 -7.821 -5.174 1.00 0.00 C ATOM 345 CD GLN A 22 6.286 -9.314 -4.851 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.934 -10.120 -5.689 1.00 0.00 O ATOM 347 NE2 GLN A 22 6.636 -9.721 -3.663 1.00 0.00 N ATOM 0 H GLN A 22 6.096 -7.363 -2.003 1.00 0.00 H new ATOM 0 HA GLN A 22 5.383 -5.251 -3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.270 -7.963 -4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.575 -6.631 -5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.501 -7.672 -6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.142 -7.341 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.932 -9.045 -2.959 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.614 -10.716 -3.438 1.00 0.00 H new ATOM 356 N LEU A 23 2.972 -5.353 -3.049 1.00 0.00 N ATOM 357 CA LEU A 23 1.729 -5.241 -2.239 1.00 0.00 C ATOM 358 C LEU A 23 0.469 -5.579 -3.046 1.00 0.00 C ATOM 359 O LEU A 23 0.527 -5.991 -4.183 1.00 0.00 O ATOM 360 CB LEU A 23 1.631 -3.797 -1.761 1.00 0.00 C ATOM 361 CG LEU A 23 2.108 -3.726 -0.320 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.338 -2.267 0.074 1.00 0.00 C ATOM 363 CD2 LEU A 23 1.054 -4.346 0.599 1.00 0.00 C ATOM 0 H LEU A 23 3.032 -4.709 -3.838 1.00 0.00 H new ATOM 0 HA LEU A 23 1.784 -5.951 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.238 -3.148 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.603 -3.443 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 23 3.043 -4.277 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.680 -2.219 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.093 -1.829 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.405 -1.712 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.397 -4.295 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.117 -3.798 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.896 -5.388 0.320 1.00 0.00 H new ATOM 375 N SER A 24 -0.676 -5.389 -2.435 1.00 0.00 N ATOM 376 CA SER A 24 -1.958 -5.650 -3.080 1.00 0.00 C ATOM 377 C SER A 24 -2.987 -4.747 -2.390 1.00 0.00 C ATOM 378 O SER A 24 -2.644 -3.947 -1.542 1.00 0.00 O ATOM 379 CB SER A 24 -2.320 -7.118 -2.889 1.00 0.00 C ATOM 380 OG SER A 24 -1.146 -7.847 -2.551 1.00 0.00 O ATOM 0 H SER A 24 -0.754 -5.049 -1.476 1.00 0.00 H new ATOM 0 HA SER A 24 -1.927 -5.445 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.067 -7.222 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.761 -7.518 -3.802 1.00 0.00 H new ATOM 0 HG SER A 24 -0.922 -7.688 -1.610 1.00 0.00 H new ATOM 386 N LYS A 25 -4.230 -4.852 -2.736 1.00 0.00 N ATOM 387 CA LYS A 25 -5.256 -3.984 -2.093 1.00 0.00 C ATOM 388 C LYS A 25 -5.599 -4.518 -0.700 1.00 0.00 C ATOM 389 O LYS A 25 -6.049 -3.785 0.158 1.00 0.00 O ATOM 390 CB LYS A 25 -6.516 -3.962 -2.956 1.00 0.00 C ATOM 391 CG LYS A 25 -7.093 -2.545 -2.975 1.00 0.00 C ATOM 392 CD LYS A 25 -7.723 -2.266 -4.341 1.00 0.00 C ATOM 393 CE LYS A 25 -8.835 -3.282 -4.609 1.00 0.00 C ATOM 394 NZ LYS A 25 -10.131 -2.565 -4.783 1.00 0.00 N ATOM 0 H LYS A 25 -4.587 -5.501 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.859 -2.973 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.281 -4.285 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.253 -4.662 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.840 -2.435 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.307 -1.818 -2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.127 -1.254 -4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.965 -2.327 -5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.605 -3.862 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.905 -3.987 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.888 -3.255 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.351 -2.030 -3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.060 -1.909 -5.587 1.00 0.00 H new ATOM 408 N GLU A 26 -5.398 -5.785 -0.467 1.00 0.00 N ATOM 409 CA GLU A 26 -5.722 -6.353 0.871 1.00 0.00 C ATOM 410 C GLU A 26 -4.594 -6.039 1.858 1.00 0.00 C ATOM 411 O GLU A 26 -4.685 -6.349 3.030 1.00 0.00 O ATOM 412 CB GLU A 26 -5.877 -7.871 0.749 1.00 0.00 C ATOM 413 CG GLU A 26 -7.268 -8.284 1.232 1.00 0.00 C ATOM 414 CD GLU A 26 -7.333 -8.170 2.755 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.462 -8.721 3.408 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.252 -7.532 3.242 1.00 0.00 O ATOM 0 H GLU A 26 -5.024 -6.450 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.650 -5.912 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.734 -8.179 -0.287 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.111 -8.374 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.027 -7.648 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.483 -9.307 0.924 1.00 0.00 H new ATOM 423 N GLU A 27 -3.526 -5.441 1.400 1.00 0.00 N ATOM 424 CA GLU A 27 -2.399 -5.135 2.330 1.00 0.00 C ATOM 425 C GLU A 27 -2.139 -3.627 2.388 1.00 0.00 C ATOM 426 O GLU A 27 -1.353 -3.162 3.191 1.00 0.00 O ATOM 427 CB GLU A 27 -1.138 -5.852 1.849 1.00 0.00 C ATOM 428 CG GLU A 27 -1.334 -7.364 1.967 1.00 0.00 C ATOM 429 CD GLU A 27 -1.890 -7.912 0.652 1.00 0.00 C ATOM 430 OE1 GLU A 27 -1.950 -7.156 -0.303 1.00 0.00 O ATOM 431 OE2 GLU A 27 -2.247 -9.079 0.623 1.00 0.00 O ATOM 0 H GLU A 27 -3.385 -5.153 0.432 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.665 -5.480 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.926 -5.582 0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.280 -5.538 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.385 -7.847 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.018 -7.590 2.785 1.00 0.00 H new ATOM 438 N LEU A 28 -2.801 -2.854 1.575 1.00 0.00 N ATOM 439 CA LEU A 28 -2.601 -1.392 1.621 1.00 0.00 C ATOM 440 C LEU A 28 -3.634 -0.863 2.615 1.00 0.00 C ATOM 441 O LEU A 28 -3.368 -0.007 3.433 1.00 0.00 O ATOM 442 CB LEU A 28 -2.801 -0.848 0.204 1.00 0.00 C ATOM 443 CG LEU A 28 -3.573 0.464 0.228 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.732 1.545 0.912 1.00 0.00 C ATOM 445 CD2 LEU A 28 -3.890 0.893 -1.206 1.00 0.00 C ATOM 0 H LEU A 28 -3.473 -3.179 0.880 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.606 -1.087 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.832 -0.695 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.339 -1.580 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.502 0.328 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.288 2.483 0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.508 1.239 1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.801 1.684 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.443 1.832 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.961 1.028 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.493 0.125 -1.691 1.00 0.00 H new ATOM 457 N LYS A 29 -4.796 -1.439 2.570 1.00 0.00 N ATOM 458 CA LYS A 29 -5.865 -1.114 3.493 1.00 0.00 C ATOM 459 C LYS A 29 -5.362 -1.329 4.926 1.00 0.00 C ATOM 460 O LYS A 29 -5.529 -0.491 5.789 1.00 0.00 O ATOM 461 CB LYS A 29 -6.958 -2.099 3.196 1.00 0.00 C ATOM 462 CG LYS A 29 -8.042 -1.849 4.194 1.00 0.00 C ATOM 463 CD LYS A 29 -9.367 -2.340 3.641 1.00 0.00 C ATOM 464 CE LYS A 29 -10.424 -2.361 4.770 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.663 -3.027 4.278 1.00 0.00 N ATOM 0 H LYS A 29 -5.042 -2.157 1.888 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.206 -0.083 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.330 -1.970 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.589 -3.122 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.815 -2.361 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.103 -0.785 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.698 -1.690 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.249 -3.339 3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.034 -2.891 5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.648 -1.344 5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.374 -3.041 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.038 -2.503 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.443 -4.002 3.992 1.00 0.00 H new ATOM 479 N LEU A 30 -4.735 -2.458 5.177 1.00 0.00 N ATOM 480 CA LEU A 30 -4.206 -2.742 6.545 1.00 0.00 C ATOM 481 C LEU A 30 -3.279 -1.603 6.959 1.00 0.00 C ATOM 482 O LEU A 30 -3.093 -1.323 8.125 1.00 0.00 O ATOM 483 CB LEU A 30 -3.425 -4.059 6.524 1.00 0.00 C ATOM 484 CG LEU A 30 -4.330 -5.208 6.982 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.700 -5.089 6.308 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.689 -6.545 6.596 1.00 0.00 C ATOM 0 H LEU A 30 -4.569 -3.193 4.490 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.029 -2.825 7.255 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.053 -4.256 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.555 -3.987 7.177 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.455 -5.159 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.340 -5.908 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.158 -4.139 6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.578 -5.136 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.331 -7.364 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.564 -6.590 5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.715 -6.634 7.078 1.00 0.00 H new ATOM 498 N LEU A 31 -2.717 -0.935 5.997 1.00 0.00 N ATOM 499 CA LEU A 31 -1.821 0.213 6.287 1.00 0.00 C ATOM 500 C LEU A 31 -2.646 1.255 7.014 1.00 0.00 C ATOM 501 O LEU A 31 -2.412 1.577 8.153 1.00 0.00 O ATOM 502 CB LEU A 31 -1.333 0.806 4.970 1.00 0.00 C ATOM 503 CG LEU A 31 0.134 1.215 5.093 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.627 1.764 3.753 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.274 2.294 6.171 1.00 0.00 C ATOM 0 H LEU A 31 -2.842 -1.139 5.006 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.966 -0.101 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.450 0.077 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.940 1.672 4.705 1.00 0.00 H new ATOM 0 HG LEU A 31 0.731 0.346 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.674 2.055 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.528 0.995 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.031 2.633 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.320 2.586 6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.324 3.163 5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.075 1.902 7.126 1.00 0.00 H new ATOM 517 N LEU A 32 -3.640 1.760 6.357 1.00 0.00 N ATOM 518 CA LEU A 32 -4.522 2.752 6.997 1.00 0.00 C ATOM 519 C LEU A 32 -4.931 2.226 8.357 1.00 0.00 C ATOM 520 O LEU A 32 -4.669 2.785 9.387 1.00 0.00 O ATOM 521 CB LEU A 32 -5.781 2.884 6.177 1.00 0.00 C ATOM 522 CG LEU A 32 -5.443 3.344 4.777 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.289 2.134 3.859 1.00 0.00 C ATOM 524 CD2 LEU A 32 -6.586 4.204 4.296 1.00 0.00 C ATOM 0 H LEU A 32 -3.880 1.524 5.394 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.004 3.707 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.301 1.927 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.458 3.596 6.649 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.508 3.904 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.045 2.471 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.489 1.494 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.223 1.572 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.377 4.555 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.506 3.619 4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.702 5.060 4.961 1.00 0.00 H new ATOM 536 N GLN A 33 -5.614 1.146 8.336 1.00 0.00 N ATOM 537 CA GLN A 33 -6.114 0.552 9.614 1.00 0.00 C ATOM 538 C GLN A 33 -5.021 0.498 10.683 1.00 0.00 C ATOM 539 O GLN A 33 -5.305 0.602 11.860 1.00 0.00 O ATOM 540 CB GLN A 33 -6.651 -0.856 9.352 1.00 0.00 C ATOM 541 CG GLN A 33 -7.953 -0.766 8.557 1.00 0.00 C ATOM 542 CD GLN A 33 -8.866 -1.932 8.942 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.439 -1.941 10.014 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.028 -2.922 8.108 1.00 0.00 N ATOM 0 H GLN A 33 -5.860 0.629 7.492 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.913 1.192 9.989 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.915 -1.440 8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.824 -1.372 10.296 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.451 0.182 8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.742 -0.793 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.547 -2.915 7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.635 -3.703 8.356 1.00 0.00 H new ATOM 553 N THR A 34 -3.786 0.341 10.315 1.00 0.00 N ATOM 554 CA THR A 34 -2.726 0.291 11.354 1.00 0.00 C ATOM 555 C THR A 34 -2.408 1.712 11.807 1.00 0.00 C ATOM 556 O THR A 34 -2.514 2.047 12.969 1.00 0.00 O ATOM 557 CB THR A 34 -1.474 -0.364 10.772 1.00 0.00 C ATOM 558 OG1 THR A 34 -1.168 0.217 9.514 1.00 0.00 O ATOM 559 CG2 THR A 34 -1.725 -1.857 10.596 1.00 0.00 C ATOM 0 H THR A 34 -3.465 0.246 9.351 1.00 0.00 H new ATOM 0 HA THR A 34 -3.068 -0.294 12.208 1.00 0.00 H new ATOM 0 HB THR A 34 -0.635 -0.209 11.450 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.943 0.722 9.190 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.835 -2.329 10.181 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.955 -2.304 11.563 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.565 -2.007 9.918 1.00 0.00 H new ATOM 567 N GLU A 35 -2.018 2.548 10.892 1.00 0.00 N ATOM 568 CA GLU A 35 -1.688 3.953 11.253 1.00 0.00 C ATOM 569 C GLU A 35 -2.921 4.852 11.080 1.00 0.00 C ATOM 570 O GLU A 35 -3.253 5.618 11.961 1.00 0.00 O ATOM 571 CB GLU A 35 -0.559 4.457 10.355 1.00 0.00 C ATOM 572 CG GLU A 35 0.675 3.572 10.544 1.00 0.00 C ATOM 573 CD GLU A 35 1.938 4.434 10.484 1.00 0.00 C ATOM 574 OE1 GLU A 35 1.868 5.583 10.890 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.954 3.931 10.033 1.00 0.00 O ATOM 0 H GLU A 35 -1.912 2.319 9.904 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.372 3.985 12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.875 4.441 9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.319 5.492 10.600 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.621 3.054 11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.708 2.806 9.769 1.00 0.00 H new ATOM 582 N PHE A 36 -3.593 4.797 9.952 1.00 0.00 N ATOM 583 CA PHE A 36 -4.777 5.696 9.770 1.00 0.00 C ATOM 584 C PHE A 36 -5.916 4.986 9.010 1.00 0.00 C ATOM 585 O PHE A 36 -6.113 5.249 7.845 1.00 0.00 O ATOM 586 CB PHE A 36 -4.363 6.916 8.935 1.00 0.00 C ATOM 587 CG PHE A 36 -2.858 7.033 8.880 1.00 0.00 C ATOM 588 CD1 PHE A 36 -2.148 6.330 7.897 1.00 0.00 C ATOM 589 CD2 PHE A 36 -2.174 7.836 9.797 1.00 0.00 C ATOM 590 CE1 PHE A 36 -0.757 6.432 7.831 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.780 7.938 9.731 1.00 0.00 C ATOM 592 CZ PHE A 36 -0.071 7.235 8.748 1.00 0.00 C ATOM 0 H PHE A 36 -3.379 4.183 9.166 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.126 5.984 10.762 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.764 6.826 7.925 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.789 7.822 9.367 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.677 5.709 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.721 8.377 10.555 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.211 5.891 7.072 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.250 8.559 10.438 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.005 7.313 8.698 1.00 0.00 H new ATOM 602 N PRO A 37 -6.654 4.136 9.686 1.00 0.00 N ATOM 603 CA PRO A 37 -7.801 3.431 9.073 1.00 0.00 C ATOM 604 C PRO A 37 -8.776 4.415 8.421 1.00 0.00 C ATOM 605 O PRO A 37 -9.436 4.094 7.453 1.00 0.00 O ATOM 606 CB PRO A 37 -8.495 2.728 10.248 1.00 0.00 C ATOM 607 CG PRO A 37 -7.564 2.853 11.479 1.00 0.00 C ATOM 608 CD PRO A 37 -6.410 3.794 11.096 1.00 0.00 C ATOM 0 HA PRO A 37 -7.476 2.745 8.291 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.463 3.186 10.451 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.681 1.680 10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.112 3.248 12.335 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.180 1.875 11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.402 4.685 11.723 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.444 3.306 11.223 1.00 0.00 H new ATOM 616 N SER A 38 -8.902 5.598 8.959 1.00 0.00 N ATOM 617 CA SER A 38 -9.870 6.575 8.381 1.00 0.00 C ATOM 618 C SER A 38 -9.286 7.275 7.154 1.00 0.00 C ATOM 619 O SER A 38 -9.815 8.268 6.692 1.00 0.00 O ATOM 620 CB SER A 38 -10.242 7.616 9.438 1.00 0.00 C ATOM 621 OG SER A 38 -9.070 8.301 9.858 1.00 0.00 O ATOM 0 H SER A 38 -8.379 5.929 9.770 1.00 0.00 H new ATOM 0 HA SER A 38 -10.760 6.028 8.069 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.963 8.324 9.029 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.718 7.131 10.290 1.00 0.00 H new ATOM 0 HG SER A 38 -9.307 8.970 10.534 1.00 0.00 H new ATOM 627 N LEU A 39 -8.224 6.766 6.601 1.00 0.00 N ATOM 628 CA LEU A 39 -7.656 7.409 5.386 1.00 0.00 C ATOM 629 C LEU A 39 -8.473 6.956 4.173 1.00 0.00 C ATOM 630 O LEU A 39 -8.188 7.313 3.047 1.00 0.00 O ATOM 631 CB LEU A 39 -6.192 7.001 5.216 1.00 0.00 C ATOM 632 CG LEU A 39 -5.297 8.215 5.484 1.00 0.00 C ATOM 633 CD1 LEU A 39 -3.839 7.767 5.596 1.00 0.00 C ATOM 634 CD2 LEU A 39 -5.435 9.212 4.333 1.00 0.00 C ATOM 0 H LEU A 39 -7.727 5.939 6.934 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.702 8.494 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.945 6.193 5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.022 6.624 4.208 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.602 8.688 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.206 8.633 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.739 7.057 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.532 7.291 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.799 10.077 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.132 8.736 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.473 9.536 4.254 1.00 0.00 H new ATOM 646 N LEU A 40 -9.497 6.172 4.403 1.00 0.00 N ATOM 647 CA LEU A 40 -10.349 5.692 3.282 1.00 0.00 C ATOM 648 C LEU A 40 -11.819 5.965 3.600 1.00 0.00 C ATOM 649 O LEU A 40 -12.627 5.063 3.690 1.00 0.00 O ATOM 650 CB LEU A 40 -10.134 4.201 3.068 1.00 0.00 C ATOM 651 CG LEU A 40 -9.897 3.505 4.408 1.00 0.00 C ATOM 652 CD1 LEU A 40 -11.091 3.760 5.332 1.00 0.00 C ATOM 653 CD2 LEU A 40 -9.760 2.012 4.156 1.00 0.00 C ATOM 0 H LEU A 40 -9.778 5.844 5.327 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.074 6.223 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.004 3.768 2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.280 4.040 2.410 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.992 3.891 4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.924 3.264 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.203 4.832 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.997 3.365 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.590 1.497 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.674 1.635 3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.918 1.832 3.488 1.00 0.00 H new ATOM 767 N GLU A 48 -8.553 3.496 -4.841 1.00 0.00 N ATOM 768 CA GLU A 48 -8.489 3.997 -6.232 1.00 0.00 C ATOM 769 C GLU A 48 -7.109 4.585 -6.451 1.00 0.00 C ATOM 770 O GLU A 48 -6.612 4.688 -7.555 1.00 0.00 O ATOM 771 CB GLU A 48 -9.519 5.096 -6.380 1.00 0.00 C ATOM 772 CG GLU A 48 -9.225 6.210 -5.374 1.00 0.00 C ATOM 773 CD GLU A 48 -9.961 7.484 -5.790 1.00 0.00 C ATOM 774 OE1 GLU A 48 -9.805 7.891 -6.929 1.00 0.00 O ATOM 775 OE2 GLU A 48 -10.668 8.033 -4.962 1.00 0.00 O ATOM 0 HA GLU A 48 -8.681 3.199 -6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.499 5.493 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.519 4.696 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.540 5.905 -4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.152 6.397 -5.326 1.00 0.00 H new ATOM 782 N LEU A 49 -6.495 4.952 -5.375 1.00 0.00 N ATOM 783 CA LEU A 49 -5.127 5.530 -5.429 1.00 0.00 C ATOM 784 C LEU A 49 -4.151 4.399 -5.719 1.00 0.00 C ATOM 785 O LEU A 49 -3.024 4.601 -6.126 1.00 0.00 O ATOM 786 CB LEU A 49 -4.810 6.138 -4.066 1.00 0.00 C ATOM 787 CG LEU A 49 -3.905 7.362 -4.233 1.00 0.00 C ATOM 788 CD1 LEU A 49 -4.136 8.333 -3.073 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.440 6.918 -4.233 1.00 0.00 C ATOM 0 H LEU A 49 -6.888 4.876 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.052 6.296 -6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.734 6.425 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.320 5.397 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.139 7.857 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.491 9.204 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.178 8.652 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.903 7.836 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.796 7.789 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.210 6.423 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.270 6.226 -5.057 1.00 0.00 H new ATOM 801 N PHE A 50 -4.602 3.204 -5.501 1.00 0.00 N ATOM 802 CA PHE A 50 -3.759 2.009 -5.735 1.00 0.00 C ATOM 803 C PHE A 50 -3.755 1.677 -7.227 1.00 0.00 C ATOM 804 O PHE A 50 -2.722 1.437 -7.819 1.00 0.00 O ATOM 805 CB PHE A 50 -4.360 0.849 -4.945 1.00 0.00 C ATOM 806 CG PHE A 50 -3.498 -0.381 -5.100 1.00 0.00 C ATOM 807 CD1 PHE A 50 -2.208 -0.407 -4.557 1.00 0.00 C ATOM 808 CD2 PHE A 50 -3.990 -1.494 -5.790 1.00 0.00 C ATOM 809 CE1 PHE A 50 -1.411 -1.550 -4.703 1.00 0.00 C ATOM 810 CE2 PHE A 50 -3.192 -2.636 -5.936 1.00 0.00 C ATOM 811 CZ PHE A 50 -1.903 -2.664 -5.393 1.00 0.00 C ATOM 0 H PHE A 50 -5.542 3.000 -5.162 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.733 2.191 -5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.439 1.118 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.370 0.642 -5.298 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.828 0.453 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.985 -1.473 -6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.416 -1.572 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.572 -3.495 -6.468 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.288 -3.545 -5.506 1.00 0.00 H new ATOM 821 N GLU A 51 -4.907 1.667 -7.839 1.00 0.00 N ATOM 822 CA GLU A 51 -4.979 1.356 -9.291 1.00 0.00 C ATOM 823 C GLU A 51 -4.621 2.606 -10.099 1.00 0.00 C ATOM 824 O GLU A 51 -4.296 2.530 -11.267 1.00 0.00 O ATOM 825 CB GLU A 51 -6.400 0.912 -9.640 1.00 0.00 C ATOM 826 CG GLU A 51 -6.343 -0.370 -10.473 1.00 0.00 C ATOM 827 CD GLU A 51 -7.180 -0.194 -11.741 1.00 0.00 C ATOM 828 OE1 GLU A 51 -8.139 0.560 -11.694 1.00 0.00 O ATOM 829 OE2 GLU A 51 -6.847 -0.814 -12.737 1.00 0.00 O ATOM 0 H GLU A 51 -5.803 1.862 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.277 0.558 -9.531 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.973 0.741 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.912 1.697 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.310 -0.600 -10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.719 -1.211 -9.891 1.00 0.00 H new ATOM 836 N GLU A 52 -4.682 3.756 -9.484 1.00 0.00 N ATOM 837 CA GLU A 52 -4.349 5.012 -10.214 1.00 0.00 C ATOM 838 C GLU A 52 -2.832 5.120 -10.378 1.00 0.00 C ATOM 839 O GLU A 52 -2.340 5.634 -11.363 1.00 0.00 O ATOM 840 CB GLU A 52 -4.866 6.213 -9.421 1.00 0.00 C ATOM 841 CG GLU A 52 -6.208 6.665 -9.999 1.00 0.00 C ATOM 842 CD GLU A 52 -5.997 7.903 -10.872 1.00 0.00 C ATOM 843 OE1 GLU A 52 -4.943 8.003 -11.480 1.00 0.00 O ATOM 844 OE2 GLU A 52 -6.893 8.729 -10.920 1.00 0.00 O ATOM 0 H GLU A 52 -4.948 3.880 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.819 4.998 -11.198 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.981 5.946 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.145 7.029 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.651 5.862 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.906 6.890 -9.193 1.00 0.00 H new ATOM 851 N LEU A 53 -2.086 4.637 -9.422 1.00 0.00 N ATOM 852 CA LEU A 53 -0.601 4.711 -9.530 1.00 0.00 C ATOM 853 C LEU A 53 -0.177 4.241 -10.925 1.00 0.00 C ATOM 854 O LEU A 53 -0.127 5.012 -11.862 1.00 0.00 O ATOM 855 CB LEU A 53 0.033 3.808 -8.469 1.00 0.00 C ATOM 856 CG LEU A 53 0.300 4.615 -7.197 1.00 0.00 C ATOM 857 CD1 LEU A 53 0.314 3.675 -5.989 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.656 5.312 -7.315 1.00 0.00 C ATOM 0 H LEU A 53 -2.439 4.196 -8.573 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.270 5.738 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.629 2.971 -8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.965 3.387 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.484 5.361 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.504 4.250 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.651 3.175 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.099 2.930 -6.117 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.849 5.888 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.439 4.565 -7.444 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.648 5.981 -8.176 1.00 0.00 H new ATOM 870 N ASP A 54 0.124 2.979 -11.067 1.00 0.00 N ATOM 871 CA ASP A 54 0.539 2.452 -12.395 1.00 0.00 C ATOM 872 C ASP A 54 -0.360 1.272 -12.767 1.00 0.00 C ATOM 873 O ASP A 54 -1.101 0.766 -11.947 1.00 0.00 O ATOM 874 CB ASP A 54 1.991 1.982 -12.317 1.00 0.00 C ATOM 875 CG ASP A 54 2.727 2.377 -13.598 1.00 0.00 C ATOM 876 OD1 ASP A 54 2.120 3.032 -14.430 1.00 0.00 O ATOM 877 OD2 ASP A 54 3.887 2.016 -13.727 1.00 0.00 O ATOM 0 H ASP A 54 0.100 2.289 -10.316 1.00 0.00 H new ATOM 0 HA ASP A 54 0.449 3.233 -13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.482 2.427 -11.451 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.027 0.901 -12.183 1.00 0.00 H new ATOM 882 N LYS A 55 -0.301 0.823 -13.992 1.00 0.00 N ATOM 883 CA LYS A 55 -1.153 -0.329 -14.401 1.00 0.00 C ATOM 884 C LYS A 55 -1.095 -1.404 -13.313 1.00 0.00 C ATOM 885 O LYS A 55 -0.136 -1.491 -12.571 1.00 0.00 O ATOM 886 CB LYS A 55 -0.626 -0.903 -15.715 1.00 0.00 C ATOM 887 CG LYS A 55 0.872 -1.177 -15.580 1.00 0.00 C ATOM 888 CD LYS A 55 1.656 -0.193 -16.455 1.00 0.00 C ATOM 889 CE LYS A 55 1.233 -0.354 -17.936 1.00 0.00 C ATOM 890 NZ LYS A 55 2.191 0.389 -18.804 1.00 0.00 N ATOM 0 H LYS A 55 0.298 1.203 -14.724 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.183 0.000 -14.536 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.155 -1.823 -15.962 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.808 -0.203 -16.530 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.178 -1.077 -14.539 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.093 -2.201 -15.880 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.471 0.829 -16.124 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.726 -0.373 -16.351 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.219 -1.409 -18.210 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.222 0.027 -18.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.911 0.284 -19.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.183 1.397 -18.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.149 0.006 -18.672 1.00 0.00 H new ATOM 904 N ASN A 56 -2.103 -2.225 -13.208 1.00 0.00 N ATOM 905 CA ASN A 56 -2.103 -3.270 -12.188 1.00 0.00 C ATOM 906 C ASN A 56 -2.969 -4.397 -12.718 1.00 0.00 C ATOM 907 O ASN A 56 -2.483 -5.423 -13.149 1.00 0.00 O ATOM 908 CB ASN A 56 -2.718 -2.717 -10.899 1.00 0.00 C ATOM 909 CG ASN A 56 -1.808 -3.021 -9.709 1.00 0.00 C ATOM 910 OD1 ASN A 56 -0.631 -2.719 -9.739 1.00 0.00 O ATOM 911 ND2 ASN A 56 -2.307 -3.603 -8.650 1.00 0.00 N ATOM 0 H ASN A 56 -2.932 -2.203 -13.802 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.092 -3.617 -11.974 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.864 -1.641 -10.989 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.701 -3.159 -10.737 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.709 -3.804 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.295 -3.856 -8.625 1.00 0.00 H new ATOM 918 N GLY A 57 -4.265 -4.218 -12.668 1.00 0.00 N ATOM 919 CA GLY A 57 -5.188 -5.284 -13.142 1.00 0.00 C ATOM 920 C GLY A 57 -4.780 -6.612 -12.516 1.00 0.00 C ATOM 921 O GLY A 57 -5.257 -7.664 -12.888 1.00 0.00 O ATOM 0 H GLY A 57 -4.721 -3.376 -12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.215 -5.040 -12.870 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.154 -5.355 -14.229 1.00 0.00 H new ATOM 925 N ASP A 58 -3.905 -6.560 -11.555 1.00 0.00 N ATOM 926 CA ASP A 58 -3.458 -7.806 -10.879 1.00 0.00 C ATOM 927 C ASP A 58 -3.625 -7.627 -9.375 1.00 0.00 C ATOM 928 O ASP A 58 -3.233 -8.467 -8.589 1.00 0.00 O ATOM 929 CB ASP A 58 -1.987 -8.066 -11.202 1.00 0.00 C ATOM 930 CG ASP A 58 -1.819 -9.496 -11.719 1.00 0.00 C ATOM 931 OD1 ASP A 58 -2.593 -10.346 -11.312 1.00 0.00 O ATOM 932 OD2 ASP A 58 -0.919 -9.715 -12.512 1.00 0.00 O ATOM 0 H ASP A 58 -3.477 -5.702 -11.206 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.052 -8.652 -11.224 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.638 -7.355 -11.950 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.377 -7.917 -10.311 1.00 0.00 H new ATOM 937 N GLY A 59 -4.205 -6.532 -8.968 1.00 0.00 N ATOM 938 CA GLY A 59 -4.395 -6.295 -7.515 1.00 0.00 C ATOM 939 C GLY A 59 -3.036 -6.297 -6.813 1.00 0.00 C ATOM 940 O GLY A 59 -2.956 -6.379 -5.605 1.00 0.00 O ATOM 0 H GLY A 59 -4.554 -5.794 -9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.897 -5.341 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.036 -7.068 -7.091 1.00 0.00 H new ATOM 944 N GLU A 60 -1.962 -6.202 -7.557 1.00 0.00 N ATOM 945 CA GLU A 60 -0.615 -6.192 -6.918 1.00 0.00 C ATOM 946 C GLU A 60 0.190 -5.012 -7.442 1.00 0.00 C ATOM 947 O GLU A 60 0.050 -4.599 -8.575 1.00 0.00 O ATOM 948 CB GLU A 60 0.131 -7.488 -7.229 1.00 0.00 C ATOM 949 CG GLU A 60 1.596 -7.359 -6.800 1.00 0.00 C ATOM 950 CD GLU A 60 2.406 -8.508 -7.402 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.483 -9.548 -6.769 1.00 0.00 O ATOM 952 OE2 GLU A 60 2.934 -8.329 -8.488 1.00 0.00 O ATOM 0 H GLU A 60 -1.962 -6.131 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.741 -6.104 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.338 -8.322 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.073 -7.705 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.000 -6.402 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.671 -7.378 -5.713 1.00 0.00 H new ATOM 959 N VAL A 61 1.042 -4.476 -6.624 1.00 0.00 N ATOM 960 CA VAL A 61 1.869 -3.324 -7.063 1.00 0.00 C ATOM 961 C VAL A 61 3.342 -3.672 -6.845 1.00 0.00 C ATOM 962 O VAL A 61 3.728 -4.822 -6.914 1.00 0.00 O ATOM 963 CB VAL A 61 1.462 -2.082 -6.254 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.196 -2.051 -4.910 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.794 -0.817 -7.051 1.00 0.00 C ATOM 0 H VAL A 61 1.203 -4.786 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 61 1.714 -3.110 -8.120 1.00 0.00 H new ATOM 0 HB VAL A 61 0.389 -2.125 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.895 -1.165 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.944 -2.944 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.272 -2.023 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.504 0.062 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.865 -0.783 -7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.249 -0.828 -7.995 1.00 0.00 H new ATOM 975 N SER A 62 4.174 -2.705 -6.588 1.00 0.00 N ATOM 976 CA SER A 62 5.608 -3.019 -6.375 1.00 0.00 C ATOM 977 C SER A 62 6.277 -1.861 -5.616 1.00 0.00 C ATOM 978 O SER A 62 5.700 -0.806 -5.439 1.00 0.00 O ATOM 979 CB SER A 62 6.274 -3.230 -7.740 1.00 0.00 C ATOM 980 OG SER A 62 6.105 -2.058 -8.534 1.00 0.00 O ATOM 0 H SER A 62 3.925 -1.719 -6.517 1.00 0.00 H new ATOM 0 HA SER A 62 5.715 -3.927 -5.782 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.335 -3.445 -7.610 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.833 -4.091 -8.243 1.00 0.00 H new ATOM 0 HG SER A 62 6.531 -2.190 -9.407 1.00 0.00 H new ATOM 986 N PHE A 63 7.485 -2.055 -5.168 1.00 0.00 N ATOM 987 CA PHE A 63 8.211 -0.982 -4.419 1.00 0.00 C ATOM 988 C PHE A 63 8.435 0.216 -5.352 1.00 0.00 C ATOM 989 O PHE A 63 8.832 1.283 -4.925 1.00 0.00 O ATOM 990 CB PHE A 63 9.571 -1.551 -3.978 1.00 0.00 C ATOM 991 CG PHE A 63 10.072 -0.998 -2.642 1.00 0.00 C ATOM 992 CD1 PHE A 63 9.223 -0.837 -1.526 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.432 -0.684 -2.520 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.745 -0.366 -0.312 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.946 -0.209 -1.307 1.00 0.00 C ATOM 996 CZ PHE A 63 11.104 -0.052 -0.204 1.00 0.00 C ATOM 0 H PHE A 63 8.010 -2.921 -5.288 1.00 0.00 H new ATOM 0 HA PHE A 63 7.636 -0.659 -3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.493 -2.636 -3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.311 -1.336 -4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.173 -1.076 -1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 63 12.089 -0.809 -3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.095 -0.245 0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.995 0.036 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.502 0.312 0.732 1.00 0.00 H new ATOM 1006 N GLU A 64 8.192 0.042 -6.628 1.00 0.00 N ATOM 1007 CA GLU A 64 8.398 1.162 -7.596 1.00 0.00 C ATOM 1008 C GLU A 64 7.216 2.135 -7.538 1.00 0.00 C ATOM 1009 O GLU A 64 7.389 3.337 -7.568 1.00 0.00 O ATOM 1010 CB GLU A 64 8.519 0.595 -9.011 1.00 0.00 C ATOM 1011 CG GLU A 64 9.229 1.614 -9.906 1.00 0.00 C ATOM 1012 CD GLU A 64 10.576 1.990 -9.284 1.00 0.00 C ATOM 1013 OE1 GLU A 64 11.516 1.229 -9.448 1.00 0.00 O ATOM 1014 OE2 GLU A 64 10.645 3.032 -8.654 1.00 0.00 O ATOM 0 H GLU A 64 7.859 -0.829 -7.041 1.00 0.00 H new ATOM 0 HA GLU A 64 9.311 1.696 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.077 -0.341 -8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.530 0.370 -9.411 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.380 1.196 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.610 2.503 -10.024 1.00 0.00 H new ATOM 1021 N GLU A 65 6.016 1.629 -7.441 1.00 0.00 N ATOM 1022 CA GLU A 65 4.827 2.536 -7.363 1.00 0.00 C ATOM 1023 C GLU A 65 4.388 2.627 -5.903 1.00 0.00 C ATOM 1024 O GLU A 65 3.330 3.126 -5.580 1.00 0.00 O ATOM 1025 CB GLU A 65 3.666 1.986 -8.208 1.00 0.00 C ATOM 1026 CG GLU A 65 4.174 0.917 -9.180 1.00 0.00 C ATOM 1027 CD GLU A 65 2.997 0.354 -9.979 1.00 0.00 C ATOM 1028 OE1 GLU A 65 1.871 0.694 -9.656 1.00 0.00 O ATOM 1029 OE2 GLU A 65 3.242 -0.409 -10.899 1.00 0.00 O ATOM 0 H GLU A 65 5.805 0.632 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 65 5.097 3.519 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.903 1.561 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.195 2.797 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.914 1.346 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.670 0.117 -8.631 1.00 0.00 H new ATOM 1036 N PHE A 66 5.210 2.127 -5.029 1.00 0.00 N ATOM 1037 CA PHE A 66 4.900 2.137 -3.577 1.00 0.00 C ATOM 1038 C PHE A 66 5.715 3.235 -2.892 1.00 0.00 C ATOM 1039 O PHE A 66 5.745 3.337 -1.688 1.00 0.00 O ATOM 1040 CB PHE A 66 5.334 0.783 -3.028 1.00 0.00 C ATOM 1041 CG PHE A 66 4.893 0.612 -1.599 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.531 0.576 -1.278 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.852 0.490 -0.592 1.00 0.00 C ATOM 1044 CE1 PHE A 66 3.130 0.424 0.051 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.456 0.338 0.730 1.00 0.00 C ATOM 1046 CZ PHE A 66 4.092 0.305 1.058 1.00 0.00 C ATOM 0 H PHE A 66 6.106 1.701 -5.267 1.00 0.00 H new ATOM 0 HA PHE A 66 3.840 2.320 -3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.911 -0.014 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.418 0.692 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.790 0.666 -2.058 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.903 0.514 -0.841 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.079 0.398 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.200 0.245 1.508 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.786 0.188 2.087 1.00 0.00 H new ATOM 1056 N GLN A 67 6.389 4.043 -3.657 1.00 0.00 N ATOM 1057 CA GLN A 67 7.230 5.125 -3.061 1.00 0.00 C ATOM 1058 C GLN A 67 6.385 6.344 -2.744 1.00 0.00 C ATOM 1059 O GLN A 67 6.346 6.835 -1.634 1.00 0.00 O ATOM 1060 CB GLN A 67 8.327 5.530 -4.048 1.00 0.00 C ATOM 1061 CG GLN A 67 9.239 4.334 -4.303 1.00 0.00 C ATOM 1062 CD GLN A 67 10.007 3.993 -3.014 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.329 4.877 -2.244 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.323 2.750 -2.734 1.00 0.00 N ATOM 0 H GLN A 67 6.396 4.004 -4.676 1.00 0.00 H new ATOM 0 HA GLN A 67 7.674 4.745 -2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.883 5.870 -4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.904 6.363 -3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.650 3.476 -4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.939 4.561 -5.107 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.058 2.000 -3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.833 2.534 -1.878 1.00 0.00 H new ATOM 1073 N VAL A 68 5.746 6.855 -3.737 1.00 0.00 N ATOM 1074 CA VAL A 68 4.925 8.084 -3.547 1.00 0.00 C ATOM 1075 C VAL A 68 3.919 7.908 -2.410 1.00 0.00 C ATOM 1076 O VAL A 68 3.450 8.872 -1.837 1.00 0.00 O ATOM 1077 CB VAL A 68 4.190 8.412 -4.843 1.00 0.00 C ATOM 1078 CG1 VAL A 68 3.842 9.898 -4.860 1.00 0.00 C ATOM 1079 CG2 VAL A 68 5.093 8.088 -6.037 1.00 0.00 C ATOM 0 H VAL A 68 5.750 6.479 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 68 5.592 8.905 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 68 3.277 7.820 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.316 10.138 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.203 10.132 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.757 10.487 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.569 8.322 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.005 8.682 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.349 7.029 -6.023 1.00 0.00 H new ATOM 1089 N LEU A 69 3.585 6.703 -2.071 1.00 0.00 N ATOM 1090 CA LEU A 69 2.611 6.493 -0.963 1.00 0.00 C ATOM 1091 C LEU A 69 3.361 6.041 0.272 1.00 0.00 C ATOM 1092 O LEU A 69 2.999 6.358 1.383 1.00 0.00 O ATOM 1093 CB LEU A 69 1.669 5.349 -1.330 1.00 0.00 C ATOM 1094 CG LEU A 69 0.270 5.480 -0.678 1.00 0.00 C ATOM 1095 CD1 LEU A 69 0.098 4.359 0.348 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.085 6.831 0.030 1.00 0.00 C ATOM 0 H LEU A 69 3.940 5.853 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 69 2.066 7.421 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.556 5.313 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.118 4.404 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.476 5.411 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.884 4.440 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.184 3.393 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.871 4.443 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.910 6.877 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.835 6.937 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.199 7.639 -0.693 1.00 0.00 H new ATOM 1108 N VAL A 70 4.395 5.273 0.088 1.00 0.00 N ATOM 1109 CA VAL A 70 5.135 4.791 1.271 1.00 0.00 C ATOM 1110 C VAL A 70 5.826 5.987 1.912 1.00 0.00 C ATOM 1111 O VAL A 70 6.241 5.946 3.050 1.00 0.00 O ATOM 1112 CB VAL A 70 6.154 3.729 0.893 1.00 0.00 C ATOM 1113 CG1 VAL A 70 7.279 4.361 0.077 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.718 3.131 2.178 1.00 0.00 C ATOM 0 H VAL A 70 4.752 4.965 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 70 4.440 4.330 1.973 1.00 0.00 H new ATOM 0 HB VAL A 70 5.683 2.951 0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.007 3.596 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.866 4.804 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.767 5.135 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.453 2.365 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.195 3.915 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.910 2.685 2.757 1.00 0.00 H new ATOM 1124 N LYS A 71 5.897 7.079 1.193 1.00 0.00 N ATOM 1125 CA LYS A 71 6.495 8.310 1.761 1.00 0.00 C ATOM 1126 C LYS A 71 5.339 9.119 2.346 1.00 0.00 C ATOM 1127 O LYS A 71 5.403 10.325 2.483 1.00 0.00 O ATOM 1128 CB LYS A 71 7.205 9.110 0.656 1.00 0.00 C ATOM 1129 CG LYS A 71 6.191 9.949 -0.135 1.00 0.00 C ATOM 1130 CD LYS A 71 6.663 10.095 -1.582 1.00 0.00 C ATOM 1131 CE LYS A 71 7.779 11.143 -1.656 1.00 0.00 C ATOM 1132 NZ LYS A 71 7.187 12.507 -1.557 1.00 0.00 N ATOM 0 H LYS A 71 5.563 7.164 0.233 1.00 0.00 H new ATOM 0 HA LYS A 71 7.237 8.077 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.959 9.761 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.726 8.429 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.211 9.473 -0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.081 10.932 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.025 9.137 -1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.829 10.391 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.494 10.986 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.328 11.040 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.871 13.209 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.322 12.552 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.954 12.713 -0.565 1.00 0.00 H new ATOM 1146 N LYS A 72 4.278 8.436 2.688 1.00 0.00 N ATOM 1147 CA LYS A 72 3.093 9.101 3.261 1.00 0.00 C ATOM 1148 C LYS A 72 2.899 8.575 4.684 1.00 0.00 C ATOM 1149 O LYS A 72 1.886 8.810 5.312 1.00 0.00 O ATOM 1150 CB LYS A 72 1.854 8.756 2.430 1.00 0.00 C ATOM 1151 CG LYS A 72 1.998 9.332 1.018 1.00 0.00 C ATOM 1152 CD LYS A 72 2.339 10.821 1.107 1.00 0.00 C ATOM 1153 CE LYS A 72 1.457 11.609 0.136 1.00 0.00 C ATOM 1154 NZ LYS A 72 2.180 11.803 -1.154 1.00 0.00 N ATOM 0 H LYS A 72 4.191 7.425 2.588 1.00 0.00 H new ATOM 0 HA LYS A 72 3.233 10.182 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.728 7.674 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.961 9.159 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.780 8.801 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.072 9.193 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.186 11.179 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.391 10.978 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.522 11.076 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.197 12.576 0.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.510 12.121 -1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.924 12.520 -1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.611 10.904 -1.449 1.00 0.00 H new ATOM 1168 N ILE A 73 3.857 7.832 5.188 1.00 0.00 N ATOM 1169 CA ILE A 73 3.711 7.257 6.557 1.00 0.00 C ATOM 1170 C ILE A 73 4.452 8.058 7.575 1.00 0.00 C ATOM 1171 O ILE A 73 4.009 8.245 8.691 1.00 0.00 O ATOM 1172 CB ILE A 73 4.409 5.913 6.648 1.00 0.00 C ATOM 1173 CG1 ILE A 73 4.380 5.198 5.322 1.00 0.00 C ATOM 1174 CG2 ILE A 73 3.776 5.086 7.745 1.00 0.00 C ATOM 1175 CD1 ILE A 73 2.938 4.940 4.882 1.00 0.00 C ATOM 0 H ILE A 73 4.728 7.602 4.710 1.00 0.00 H new ATOM 0 HA ILE A 73 2.636 7.220 6.736 1.00 0.00 H new ATOM 0 HB ILE A 73 5.458 6.071 6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.894 5.795 4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.917 4.253 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.279 4.121 7.809 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.872 5.609 8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.721 4.931 7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.937 4.423 3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.435 4.323 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.412 5.890 4.783 1.00 0.00 H new ATOM 1187 N SER A 74 5.653 8.381 7.234 1.00 0.00 N ATOM 1188 CA SER A 74 6.538 9.011 8.208 1.00 0.00 C ATOM 1189 C SER A 74 5.768 9.952 9.145 1.00 0.00 C ATOM 1190 O SER A 74 5.547 9.647 10.300 1.00 0.00 O ATOM 1191 CB SER A 74 7.654 9.776 7.503 1.00 0.00 C ATOM 1192 OG SER A 74 8.884 9.526 8.170 1.00 0.00 O ATOM 0 H SER A 74 6.058 8.231 6.310 1.00 0.00 H new ATOM 0 HA SER A 74 6.976 8.217 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.722 9.465 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.436 10.844 7.504 1.00 0.00 H new ATOM 0 HG SER A 74 9.547 10.193 7.895 1.00 0.00 H new ATOM 1198 N GLN A 75 5.358 11.090 8.657 1.00 0.00 N ATOM 1199 CA GLN A 75 4.605 12.043 9.520 1.00 0.00 C ATOM 1200 C GLN A 75 3.168 12.164 9.007 1.00 0.00 C ATOM 1201 O GLN A 75 2.375 12.812 9.669 1.00 0.00 O ATOM 1202 CB GLN A 75 5.276 13.423 9.491 1.00 0.00 C ATOM 1203 CG GLN A 75 6.139 13.562 8.232 1.00 0.00 C ATOM 1204 CD GLN A 75 6.536 15.027 8.039 1.00 0.00 C ATOM 1205 OE1 GLN A 75 6.723 15.749 8.999 1.00 0.00 O ATOM 1206 NE2 GLN A 75 6.672 15.497 6.830 1.00 0.00 N ATOM 1207 OXT GLN A 75 2.886 11.605 7.960 1.00 0.00 O ATOM 0 H GLN A 75 5.512 11.401 7.698 1.00 0.00 H new ATOM 0 HA GLN A 75 4.601 11.671 10.545 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.517 14.205 9.510 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.892 13.555 10.380 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.031 12.942 8.320 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.589 13.206 7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.515 14.889 6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.936 16.472 6.689 1.00 0.00 H new