USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 757 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 22 THR OG1 : rot -140:sc= -0.227 USER MOD Set 1.2: A 55 GLN : amide:sc= -1.29 K(o=-1.5,f=-4.6!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0746 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -73:sc= 1.24 USER MOD Single : A 20 CYS SG : rot -133:sc= 0.164 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0897 X(o=-0.09,f=0) USER MOD Single : A 29 THR OG1 : rot -32:sc= 0.526 USER MOD Single : A 30 GLN : amide:sc= -9.02! C(o=-9!,f=-7.3!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 35 SER OG : rot 150:sc= -2.53! USER MOD Single : A 36 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.7!) USER MOD Single : A 42 MET CE :methyl 159:sc= -0.0429 (180deg=-0.599) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -2.39! USER MOD Single : A 71 ASN : amide:sc= -0.405 X(o=-0.41,f=-0.85) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-0.46) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 89 SER OG : rot -37:sc= 1.12 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 23:sc= 0.139 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.103 -0.426 0.550 1.00 24.40 N ATOM 2 CA PRO A 1 1.762 -0.345 -0.757 1.00 71.01 C ATOM 3 C PRO A 1 1.683 -1.658 -1.529 1.00 13.22 C ATOM 4 O PRO A 1 1.223 -2.672 -1.003 1.00 32.31 O ATOM 5 CB PRO A 1 3.215 -0.020 -0.403 1.00 1.14 C ATOM 6 CG PRO A 1 3.396 -0.551 0.977 1.00 22.14 C ATOM 7 CD PRO A 1 2.068 -0.387 1.662 1.00 13.52 C ATOM 0 H2 PRO A 1 0.560 -1.288 0.603 1.00 24.40 H new ATOM 0 H3 PRO A 1 0.445 0.347 0.646 1.00 24.40 H new ATOM 0 HA PRO A 1 1.291 0.394 -1.405 1.00 71.01 H new ATOM 0 HB2 PRO A 1 3.907 -0.489 -1.102 1.00 1.14 H new ATOM 0 HB3 PRO A 1 3.402 1.053 -0.442 1.00 1.14 H new ATOM 0 HG2 PRO A 1 3.697 -1.598 0.956 1.00 22.14 H new ATOM 0 HG3 PRO A 1 4.178 -0.005 1.506 1.00 22.14 H new ATOM 0 HD2 PRO A 1 1.885 -1.186 2.381 1.00 13.52 H new ATOM 0 HD3 PRO A 1 2.012 0.554 2.210 1.00 13.52 H new ATOM 15 N LEU A 2 2.134 -1.632 -2.778 1.00 31.40 N ATOM 16 CA LEU A 2 2.115 -2.822 -3.623 1.00 13.42 C ATOM 17 C LEU A 2 3.019 -2.641 -4.838 1.00 22.24 C ATOM 18 O LEU A 2 3.264 -1.519 -5.282 1.00 64.23 O ATOM 19 CB LEU A 2 0.686 -3.126 -4.077 1.00 40.50 C ATOM 20 CG LEU A 2 -0.088 -1.956 -4.687 1.00 4.14 C ATOM 21 CD1 LEU A 2 0.110 -1.913 -6.194 1.00 33.20 C ATOM 22 CD2 LEU A 2 -1.567 -2.058 -4.343 1.00 44.12 C ATOM 0 H LEU A 2 2.517 -0.801 -3.228 1.00 31.40 H new ATOM 0 HA LEU A 2 2.490 -3.661 -3.036 1.00 13.42 H new ATOM 0 HB2 LEU A 2 0.723 -3.933 -4.809 1.00 40.50 H new ATOM 0 HB3 LEU A 2 0.125 -3.499 -3.220 1.00 40.50 H new ATOM 0 HG LEU A 2 0.299 -1.029 -4.264 1.00 4.14 H new ATOM 0 HD11 LEU A 2 -0.448 -1.074 -6.610 1.00 33.20 H new ATOM 0 HD12 LEU A 2 1.170 -1.791 -6.418 1.00 33.20 H new ATOM 0 HD13 LEU A 2 -0.250 -2.843 -6.635 1.00 33.20 H new ATOM 0 HD21 LEU A 2 -2.102 -1.218 -4.785 1.00 44.12 H new ATOM 0 HD22 LEU A 2 -1.969 -2.992 -4.737 1.00 44.12 H new ATOM 0 HD23 LEU A 2 -1.691 -2.038 -3.260 1.00 44.12 H new ATOM 34 N THR A 3 3.512 -3.754 -5.373 1.00 1.03 N ATOM 35 CA THR A 3 4.388 -3.719 -6.537 1.00 23.43 C ATOM 36 C THR A 3 3.908 -4.683 -7.616 1.00 32.25 C ATOM 37 O THR A 3 3.052 -5.532 -7.366 1.00 22.51 O ATOM 38 CB THR A 3 5.839 -4.072 -6.158 1.00 62.14 C ATOM 39 OG1 THR A 3 6.720 -3.749 -7.240 1.00 70.12 O ATOM 40 CG2 THR A 3 5.966 -5.549 -5.818 1.00 71.55 C ATOM 0 H THR A 3 3.319 -4.691 -5.018 1.00 1.03 H new ATOM 0 HA THR A 3 4.358 -2.701 -6.925 1.00 23.43 H new ATOM 0 HB THR A 3 6.114 -3.489 -5.279 1.00 62.14 H new ATOM 0 HG1 THR A 3 7.641 -3.975 -6.991 1.00 70.12 H new ATOM 0 HG21 THR A 3 6.999 -5.774 -5.554 1.00 71.55 H new ATOM 0 HG22 THR A 3 5.316 -5.786 -4.975 1.00 71.55 H new ATOM 0 HG23 THR A 3 5.674 -6.147 -6.681 1.00 71.55 H new ATOM 48 N ARG A 4 4.464 -4.547 -8.815 1.00 12.42 N ATOM 49 CA ARG A 4 4.091 -5.406 -9.932 1.00 40.22 C ATOM 50 C ARG A 4 4.732 -6.784 -9.796 1.00 11.23 C ATOM 51 O ARG A 4 5.708 -6.972 -9.070 1.00 23.41 O ATOM 52 CB ARG A 4 4.510 -4.766 -11.257 1.00 54.21 C ATOM 53 CG ARG A 4 3.377 -4.046 -11.970 1.00 40.53 C ATOM 54 CD ARG A 4 3.673 -3.871 -13.452 1.00 2.15 C ATOM 55 NE ARG A 4 2.733 -4.612 -14.289 1.00 4.43 N ATOM 56 CZ ARG A 4 1.466 -4.254 -14.465 1.00 44.42 C ATOM 57 NH1 ARG A 4 0.991 -3.171 -13.866 1.00 55.44 N ATOM 58 NH2 ARG A 4 0.673 -4.979 -15.242 1.00 73.35 N ATOM 0 H ARG A 4 5.175 -3.850 -9.038 1.00 12.42 H new ATOM 0 HA ARG A 4 3.008 -5.525 -9.920 1.00 40.22 H new ATOM 0 HB2 ARG A 4 5.318 -4.059 -11.070 1.00 54.21 H new ATOM 0 HB3 ARG A 4 4.909 -5.539 -11.914 1.00 54.21 H new ATOM 0 HG2 ARG A 4 2.452 -4.609 -11.847 1.00 40.53 H new ATOM 0 HG3 ARG A 4 3.219 -3.070 -11.512 1.00 40.53 H new ATOM 0 HD2 ARG A 4 3.630 -2.812 -13.708 1.00 2.15 H new ATOM 0 HD3 ARG A 4 4.688 -4.208 -13.661 1.00 2.15 H new ATOM 0 HE ARG A 4 3.068 -5.450 -14.764 1.00 4.43 H new ATOM 0 HH11 ARG A 4 1.599 -2.611 -13.269 1.00 55.44 H new ATOM 0 HH12 ARG A 4 0.018 -2.898 -14.003 1.00 55.44 H new ATOM 0 HH21 ARG A 4 1.036 -5.812 -15.705 1.00 73.35 H new ATOM 0 HH22 ARG A 4 -0.300 -4.703 -15.377 1.00 73.35 H new ATOM 72 N PRO A 5 4.170 -7.771 -10.509 1.00 64.13 N ATOM 73 CA PRO A 5 4.671 -9.149 -10.485 1.00 15.23 C ATOM 74 C PRO A 5 6.023 -9.287 -11.175 1.00 3.14 C ATOM 75 O PRO A 5 6.105 -9.740 -12.316 1.00 63.24 O ATOM 76 CB PRO A 5 3.598 -9.929 -11.249 1.00 62.12 C ATOM 77 CG PRO A 5 2.962 -8.922 -12.144 1.00 4.11 C ATOM 78 CD PRO A 5 3.004 -7.618 -11.396 1.00 24.24 C ATOM 0 HA PRO A 5 4.834 -9.506 -9.468 1.00 15.23 H new ATOM 0 HB2 PRO A 5 4.036 -10.747 -11.821 1.00 62.12 H new ATOM 0 HB3 PRO A 5 2.869 -10.370 -10.569 1.00 62.12 H new ATOM 0 HG2 PRO A 5 3.498 -8.847 -13.090 1.00 4.11 H new ATOM 0 HG3 PRO A 5 1.936 -9.203 -12.381 1.00 4.11 H new ATOM 0 HD2 PRO A 5 3.121 -6.771 -12.072 1.00 24.24 H new ATOM 0 HD3 PRO A 5 2.088 -7.450 -10.830 1.00 24.24 H new ATOM 86 N TYR A 6 7.082 -8.894 -10.475 1.00 32.02 N ATOM 87 CA TYR A 6 8.431 -8.972 -11.021 1.00 63.32 C ATOM 88 C TYR A 6 9.338 -9.800 -10.116 1.00 63.42 C ATOM 89 O TYR A 6 9.298 -9.672 -8.892 1.00 4.02 O ATOM 90 CB TYR A 6 9.014 -7.569 -11.200 1.00 30.41 C ATOM 91 CG TYR A 6 9.601 -7.328 -12.572 1.00 52.33 C ATOM 92 CD1 TYR A 6 10.957 -7.072 -12.734 1.00 51.40 C ATOM 93 CD2 TYR A 6 8.799 -7.354 -13.707 1.00 24.41 C ATOM 94 CE1 TYR A 6 11.498 -6.850 -13.986 1.00 14.52 C ATOM 95 CE2 TYR A 6 9.332 -7.135 -14.963 1.00 14.14 C ATOM 96 CZ TYR A 6 10.681 -6.883 -15.097 1.00 0.31 C ATOM 97 OH TYR A 6 11.215 -6.662 -16.346 1.00 33.10 O ATOM 0 H TYR A 6 7.032 -8.518 -9.528 1.00 32.02 H new ATOM 0 HA TYR A 6 8.374 -9.461 -11.993 1.00 63.32 H new ATOM 0 HB2 TYR A 6 8.232 -6.833 -11.014 1.00 30.41 H new ATOM 0 HB3 TYR A 6 9.788 -7.408 -10.449 1.00 30.41 H new ATOM 0 HD1 TYR A 6 11.599 -7.046 -11.866 1.00 51.40 H new ATOM 0 HD2 TYR A 6 7.742 -7.549 -13.606 1.00 24.41 H new ATOM 0 HE1 TYR A 6 12.554 -6.652 -14.094 1.00 14.52 H new ATOM 0 HE2 TYR A 6 8.695 -7.161 -15.835 1.00 14.14 H new ATOM 0 HH TYR A 6 10.506 -6.721 -17.020 1.00 33.10 H new ATOM 107 N LEU A 7 10.156 -10.650 -10.727 1.00 62.25 N ATOM 108 CA LEU A 7 11.075 -11.500 -9.979 1.00 23.34 C ATOM 109 C LEU A 7 12.525 -11.128 -10.274 1.00 13.21 C ATOM 110 O LEU A 7 12.957 -11.137 -11.426 1.00 35.52 O ATOM 111 CB LEU A 7 10.835 -12.971 -10.322 1.00 32.52 C ATOM 112 CG LEU A 7 10.665 -13.295 -11.807 1.00 21.35 C ATOM 113 CD1 LEU A 7 11.457 -14.540 -12.175 1.00 72.32 C ATOM 114 CD2 LEU A 7 9.193 -13.476 -12.148 1.00 23.50 C ATOM 0 H LEU A 7 10.201 -10.769 -11.739 1.00 62.25 H new ATOM 0 HA LEU A 7 10.889 -11.346 -8.916 1.00 23.34 H new ATOM 0 HB2 LEU A 7 11.671 -13.554 -9.937 1.00 32.52 H new ATOM 0 HB3 LEU A 7 9.943 -13.306 -9.793 1.00 32.52 H new ATOM 0 HG LEU A 7 11.052 -12.458 -12.389 1.00 21.35 H new ATOM 0 HD11 LEU A 7 11.324 -14.755 -13.235 1.00 72.32 H new ATOM 0 HD12 LEU A 7 12.514 -14.373 -11.968 1.00 72.32 H new ATOM 0 HD13 LEU A 7 11.101 -15.385 -11.586 1.00 72.32 H new ATOM 0 HD21 LEU A 7 9.091 -13.706 -13.209 1.00 23.50 H new ATOM 0 HD22 LEU A 7 8.781 -14.294 -11.558 1.00 23.50 H new ATOM 0 HD23 LEU A 7 8.652 -12.557 -11.922 1.00 23.50 H new ATOM 126 N GLY A 8 13.272 -10.802 -9.224 1.00 4.41 N ATOM 127 CA GLY A 8 14.666 -10.433 -9.391 1.00 50.34 C ATOM 128 C GLY A 8 15.597 -11.290 -8.557 1.00 70.13 C ATOM 129 O GLY A 8 16.587 -10.798 -8.016 1.00 22.34 O ATOM 0 H GLY A 8 12.937 -10.787 -8.261 1.00 4.41 H new ATOM 0 HA2 GLY A 8 14.939 -10.523 -10.442 1.00 50.34 H new ATOM 0 HA3 GLY A 8 14.797 -9.386 -9.116 1.00 50.34 H new ATOM 133 N PHE A 9 15.279 -12.576 -8.452 1.00 31.13 N ATOM 134 CA PHE A 9 16.093 -13.504 -7.675 1.00 40.30 C ATOM 135 C PHE A 9 15.748 -14.950 -8.019 1.00 42.34 C ATOM 136 O PHE A 9 14.801 -15.214 -8.760 1.00 41.44 O ATOM 137 CB PHE A 9 15.891 -13.262 -6.178 1.00 21.13 C ATOM 138 CG PHE A 9 14.462 -13.400 -5.736 1.00 2.24 C ATOM 139 CD1 PHE A 9 14.025 -14.557 -5.112 1.00 14.25 C ATOM 140 CD2 PHE A 9 13.557 -12.372 -5.945 1.00 35.23 C ATOM 141 CE1 PHE A 9 12.711 -14.687 -4.703 1.00 55.41 C ATOM 142 CE2 PHE A 9 12.241 -12.496 -5.538 1.00 64.11 C ATOM 143 CZ PHE A 9 11.818 -13.655 -4.918 1.00 34.13 C ATOM 0 H PHE A 9 14.464 -12.999 -8.895 1.00 31.13 H new ATOM 0 HA PHE A 9 17.139 -13.329 -7.927 1.00 40.30 H new ATOM 0 HB2 PHE A 9 16.506 -13.967 -5.618 1.00 21.13 H new ATOM 0 HB3 PHE A 9 16.245 -12.262 -5.929 1.00 21.13 H new ATOM 0 HD1 PHE A 9 14.719 -15.367 -4.943 1.00 14.25 H new ATOM 0 HD2 PHE A 9 13.883 -11.464 -6.431 1.00 35.23 H new ATOM 0 HE1 PHE A 9 12.383 -15.594 -4.216 1.00 55.41 H new ATOM 0 HE2 PHE A 9 11.545 -11.687 -5.705 1.00 64.11 H new ATOM 0 HZ PHE A 9 10.790 -13.755 -4.601 1.00 34.13 H new ATOM 153 N ARG A 10 16.524 -15.882 -7.476 1.00 61.15 N ATOM 154 CA ARG A 10 16.303 -17.301 -7.727 1.00 72.21 C ATOM 155 C ARG A 10 16.051 -18.051 -6.422 1.00 41.12 C ATOM 156 O ARG A 10 16.702 -17.792 -5.410 1.00 21.32 O ATOM 157 CB ARG A 10 17.506 -17.907 -8.452 1.00 3.33 C ATOM 158 CG ARG A 10 17.445 -17.758 -9.963 1.00 61.52 C ATOM 159 CD ARG A 10 17.315 -19.109 -10.651 1.00 5.35 C ATOM 160 NE ARG A 10 17.633 -19.031 -12.074 1.00 13.00 N ATOM 161 CZ ARG A 10 17.366 -20.002 -12.941 1.00 14.45 C ATOM 162 NH1 ARG A 10 16.779 -21.118 -12.531 1.00 1.13 N ATOM 163 NH2 ARG A 10 17.685 -19.857 -14.220 1.00 53.43 N ATOM 0 H ARG A 10 17.311 -15.680 -6.860 1.00 61.15 H new ATOM 0 HA ARG A 10 15.420 -17.399 -8.359 1.00 72.21 H new ATOM 0 HB2 ARG A 10 18.417 -17.434 -8.085 1.00 3.33 H new ATOM 0 HB3 ARG A 10 17.574 -18.966 -8.202 1.00 3.33 H new ATOM 0 HG2 ARG A 10 16.598 -17.128 -10.234 1.00 61.52 H new ATOM 0 HG3 ARG A 10 18.344 -17.253 -10.317 1.00 61.52 H new ATOM 0 HD2 ARG A 10 17.980 -19.826 -10.170 1.00 5.35 H new ATOM 0 HD3 ARG A 10 16.299 -19.483 -10.527 1.00 5.35 H new ATOM 0 HE ARG A 10 18.085 -18.185 -12.421 1.00 13.00 H new ATOM 0 HH11 ARG A 10 16.531 -21.233 -11.548 1.00 1.13 H new ATOM 0 HH12 ARG A 10 16.575 -21.862 -13.198 1.00 1.13 H new ATOM 0 HH21 ARG A 10 18.136 -18.999 -14.539 1.00 53.43 H new ATOM 0 HH22 ARG A 10 17.480 -20.603 -14.885 1.00 53.43 H new ATOM 177 N VAL A 11 15.102 -18.981 -6.453 1.00 52.15 N ATOM 178 CA VAL A 11 14.764 -19.769 -5.274 1.00 42.21 C ATOM 179 C VAL A 11 14.620 -21.246 -5.623 1.00 11.13 C ATOM 180 O VAL A 11 13.862 -21.611 -6.521 1.00 11.03 O ATOM 181 CB VAL A 11 13.457 -19.276 -4.625 1.00 42.21 C ATOM 182 CG1 VAL A 11 13.632 -17.869 -4.074 1.00 50.33 C ATOM 183 CG2 VAL A 11 12.313 -19.327 -5.627 1.00 3.15 C ATOM 0 H VAL A 11 14.553 -19.207 -7.283 1.00 52.15 H new ATOM 0 HA VAL A 11 15.582 -19.644 -4.565 1.00 42.21 H new ATOM 0 HB VAL A 11 13.212 -19.938 -3.794 1.00 42.21 H new ATOM 0 HG11 VAL A 11 12.698 -17.538 -3.619 1.00 50.33 H new ATOM 0 HG12 VAL A 11 14.422 -17.868 -3.323 1.00 50.33 H new ATOM 0 HG13 VAL A 11 13.901 -17.192 -4.884 1.00 50.33 H new ATOM 0 HG21 VAL A 11 11.397 -18.975 -5.152 1.00 3.15 H new ATOM 0 HG22 VAL A 11 12.547 -18.690 -6.480 1.00 3.15 H new ATOM 0 HG23 VAL A 11 12.174 -20.353 -5.968 1.00 3.15 H new ATOM 193 N ALA A 12 15.352 -22.092 -4.906 1.00 5.34 N ATOM 194 CA ALA A 12 15.304 -23.530 -5.137 1.00 44.02 C ATOM 195 C ALA A 12 14.760 -24.265 -3.917 1.00 0.31 C ATOM 196 O ALA A 12 15.311 -24.162 -2.821 1.00 24.21 O ATOM 197 CB ALA A 12 16.687 -24.053 -5.497 1.00 60.13 C ATOM 0 H ALA A 12 15.986 -21.806 -4.160 1.00 5.34 H new ATOM 0 HA ALA A 12 14.628 -23.716 -5.972 1.00 44.02 H new ATOM 0 HB1 ALA A 12 16.636 -25.128 -5.667 1.00 60.13 H new ATOM 0 HB2 ALA A 12 17.039 -23.559 -6.403 1.00 60.13 H new ATOM 0 HB3 ALA A 12 17.378 -23.847 -4.680 1.00 60.13 H new ATOM 203 N VAL A 13 13.674 -25.005 -4.114 1.00 30.55 N ATOM 204 CA VAL A 13 13.055 -25.758 -3.029 1.00 0.12 C ATOM 205 C VAL A 13 13.802 -27.061 -2.768 1.00 31.11 C ATOM 206 O VAL A 13 14.032 -27.851 -3.683 1.00 34.04 O ATOM 207 CB VAL A 13 11.580 -26.077 -3.337 1.00 62.24 C ATOM 208 CG1 VAL A 13 11.459 -26.815 -4.662 1.00 23.32 C ATOM 209 CG2 VAL A 13 10.963 -26.888 -2.208 1.00 3.25 C ATOM 0 H VAL A 13 13.204 -25.099 -5.015 1.00 30.55 H new ATOM 0 HA VAL A 13 13.105 -25.130 -2.140 1.00 0.12 H new ATOM 0 HB VAL A 13 11.033 -25.138 -3.420 1.00 62.24 H new ATOM 0 HG11 VAL A 13 10.410 -27.032 -4.863 1.00 23.32 H new ATOM 0 HG12 VAL A 13 11.861 -26.194 -5.462 1.00 23.32 H new ATOM 0 HG13 VAL A 13 12.019 -27.749 -4.611 1.00 23.32 H new ATOM 0 HG21 VAL A 13 9.921 -27.104 -2.443 1.00 3.25 H new ATOM 0 HG22 VAL A 13 11.510 -27.823 -2.091 1.00 3.25 H new ATOM 0 HG23 VAL A 13 11.015 -26.318 -1.280 1.00 3.25 H new ATOM 219 N GLY A 14 14.179 -27.280 -1.512 1.00 12.34 N ATOM 220 CA GLY A 14 14.896 -28.489 -1.152 1.00 72.10 C ATOM 221 C GLY A 14 14.518 -28.999 0.224 1.00 22.54 C ATOM 222 O GLY A 14 13.387 -28.813 0.674 1.00 25.02 O ATOM 0 H GLY A 14 14.000 -26.641 -0.737 1.00 12.34 H new ATOM 0 HA2 GLY A 14 14.691 -29.263 -1.892 1.00 72.10 H new ATOM 0 HA3 GLY A 14 15.968 -28.295 -1.182 1.00 72.10 H new ATOM 226 N ARG A 15 15.466 -29.647 0.894 1.00 1.34 N ATOM 227 CA ARG A 15 15.226 -30.188 2.227 1.00 71.25 C ATOM 228 C ARG A 15 16.369 -29.832 3.172 1.00 20.14 C ATOM 229 O ARG A 15 17.541 -30.010 2.841 1.00 61.45 O ATOM 230 CB ARG A 15 15.059 -31.707 2.160 1.00 21.52 C ATOM 231 CG ARG A 15 13.956 -32.158 1.216 1.00 23.55 C ATOM 232 CD ARG A 15 12.652 -32.401 1.959 1.00 11.05 C ATOM 233 NE ARG A 15 11.564 -32.760 1.053 1.00 4.03 N ATOM 234 CZ ARG A 15 11.483 -33.930 0.430 1.00 31.33 C ATOM 235 NH1 ARG A 15 12.420 -34.850 0.615 1.00 31.00 N ATOM 236 NH2 ARG A 15 10.462 -34.183 -0.379 1.00 43.12 N ATOM 0 H ARG A 15 16.407 -29.810 0.536 1.00 1.34 H new ATOM 0 HA ARG A 15 14.308 -29.745 2.613 1.00 71.25 H new ATOM 0 HB2 ARG A 15 16.001 -32.154 1.844 1.00 21.52 H new ATOM 0 HB3 ARG A 15 14.847 -32.085 3.160 1.00 21.52 H new ATOM 0 HG2 ARG A 15 13.802 -31.401 0.447 1.00 23.55 H new ATOM 0 HG3 ARG A 15 14.262 -33.072 0.707 1.00 23.55 H new ATOM 0 HD2 ARG A 15 12.794 -33.198 2.689 1.00 11.05 H new ATOM 0 HD3 ARG A 15 12.379 -31.504 2.515 1.00 11.05 H new ATOM 0 HE ARG A 15 10.826 -32.075 0.890 1.00 4.03 H new ATOM 0 HH11 ARG A 15 13.206 -34.660 1.237 1.00 31.00 H new ATOM 0 HH12 ARG A 15 12.355 -35.748 0.135 1.00 31.00 H new ATOM 0 HH21 ARG A 15 9.739 -33.479 -0.523 1.00 43.12 H new ATOM 0 HH22 ARG A 15 10.401 -35.082 -0.857 1.00 43.12 H new ATOM 250 N ASP A 16 16.020 -29.328 4.351 1.00 54.34 N ATOM 251 CA ASP A 16 17.016 -28.947 5.345 1.00 11.21 C ATOM 252 C ASP A 16 17.178 -30.039 6.398 1.00 52.30 C ATOM 253 O ASP A 16 16.583 -31.111 6.291 1.00 64.33 O ATOM 254 CB ASP A 16 16.621 -27.630 6.015 1.00 43.40 C ATOM 255 CG ASP A 16 15.226 -27.676 6.606 1.00 52.24 C ATOM 256 OD1 ASP A 16 14.260 -27.852 5.834 1.00 71.04 O ATOM 257 OD2 ASP A 16 15.100 -27.537 7.840 1.00 54.30 O ATOM 0 H ASP A 16 15.054 -29.174 4.641 1.00 54.34 H new ATOM 0 HA ASP A 16 17.970 -28.814 4.835 1.00 11.21 H new ATOM 0 HB2 ASP A 16 17.338 -27.397 6.802 1.00 43.40 H new ATOM 0 HB3 ASP A 16 16.676 -26.823 5.284 1.00 43.40 H new ATOM 262 N SER A 17 17.987 -29.758 7.414 1.00 21.34 N ATOM 263 CA SER A 17 18.231 -30.718 8.484 1.00 23.44 C ATOM 264 C SER A 17 16.988 -30.895 9.351 1.00 53.45 C ATOM 265 O SER A 17 16.788 -31.944 9.963 1.00 52.50 O ATOM 266 CB SER A 17 19.408 -30.262 9.349 1.00 62.31 C ATOM 267 OG SER A 17 20.211 -31.363 9.740 1.00 52.14 O ATOM 0 H SER A 17 18.485 -28.874 7.519 1.00 21.34 H new ATOM 0 HA SER A 17 18.474 -31.678 8.028 1.00 23.44 H new ATOM 0 HB2 SER A 17 20.014 -29.545 8.795 1.00 62.31 H new ATOM 0 HB3 SER A 17 19.035 -29.748 10.235 1.00 62.31 H new ATOM 0 HG SER A 17 20.957 -31.045 10.290 1.00 52.14 H new ATOM 273 N SER A 18 16.155 -29.860 9.396 1.00 13.12 N ATOM 274 CA SER A 18 14.932 -29.897 10.190 1.00 71.41 C ATOM 275 C SER A 18 13.832 -30.659 9.457 1.00 54.43 C ATOM 276 O SER A 18 13.079 -31.420 10.062 1.00 33.22 O ATOM 277 CB SER A 18 14.461 -28.477 10.507 1.00 52.21 C ATOM 278 OG SER A 18 13.364 -28.109 9.688 1.00 3.51 O ATOM 0 H SER A 18 16.305 -28.986 8.892 1.00 13.12 H new ATOM 0 HA SER A 18 15.150 -30.416 11.124 1.00 71.41 H new ATOM 0 HB2 SER A 18 14.174 -28.412 11.556 1.00 52.21 H new ATOM 0 HB3 SER A 18 15.282 -27.776 10.357 1.00 52.21 H new ATOM 0 HG SER A 18 13.678 -27.946 8.774 1.00 3.51 H new ATOM 284 N GLY A 19 13.745 -30.446 8.147 1.00 41.00 N ATOM 285 CA GLY A 19 12.734 -31.118 7.352 1.00 65.25 C ATOM 286 C GLY A 19 11.438 -30.336 7.280 1.00 30.10 C ATOM 287 O GLY A 19 10.354 -30.905 7.411 1.00 33.54 O ATOM 0 H GLY A 19 14.357 -29.820 7.623 1.00 41.00 H new ATOM 0 HA2 GLY A 19 13.116 -31.276 6.343 1.00 65.25 H new ATOM 0 HA3 GLY A 19 12.537 -32.102 7.777 1.00 65.25 H new ATOM 291 N CYS A 20 11.548 -29.029 7.073 1.00 4.30 N ATOM 292 CA CYS A 20 10.375 -28.166 6.987 1.00 61.41 C ATOM 293 C CYS A 20 10.225 -27.592 5.582 1.00 13.42 C ATOM 294 O CYS A 20 9.392 -26.716 5.343 1.00 21.20 O ATOM 295 CB CYS A 20 10.474 -27.032 8.008 1.00 43.25 C ATOM 296 SG CYS A 20 9.664 -27.385 9.585 1.00 4.11 S ATOM 0 H CYS A 20 12.438 -28.543 6.961 1.00 4.30 H new ATOM 0 HA CYS A 20 9.494 -28.768 7.210 1.00 61.41 H new ATOM 0 HB2 CYS A 20 11.526 -26.815 8.193 1.00 43.25 H new ATOM 0 HB3 CYS A 20 10.033 -26.132 7.579 1.00 43.25 H new ATOM 0 HG CYS A 20 8.931 -26.369 9.934 1.00 4.11 H new ATOM 302 N THR A 21 11.037 -28.088 4.655 1.00 65.42 N ATOM 303 CA THR A 21 10.997 -27.623 3.274 1.00 3.24 C ATOM 304 C THR A 21 11.280 -26.127 3.190 1.00 22.22 C ATOM 305 O THR A 21 10.395 -25.303 3.420 1.00 13.20 O ATOM 306 CB THR A 21 9.632 -27.913 2.623 1.00 12.22 C ATOM 307 OG1 THR A 21 9.256 -29.275 2.858 1.00 45.40 O ATOM 308 CG2 THR A 21 9.678 -27.645 1.126 1.00 23.14 C ATOM 0 H THR A 21 11.732 -28.813 4.835 1.00 65.42 H new ATOM 0 HA THR A 21 11.771 -28.168 2.734 1.00 3.24 H new ATOM 0 HB THR A 21 8.892 -27.250 3.072 1.00 12.22 H new ATOM 0 HG1 THR A 21 8.386 -29.451 2.442 1.00 45.40 H new ATOM 0 HG21 THR A 21 8.703 -27.857 0.688 1.00 23.14 H new ATOM 0 HG22 THR A 21 9.935 -26.600 0.951 1.00 23.14 H new ATOM 0 HG23 THR A 21 10.430 -28.286 0.665 1.00 23.14 H new ATOM 316 N THR A 22 12.521 -25.782 2.858 1.00 15.15 N ATOM 317 CA THR A 22 12.920 -24.385 2.744 1.00 23.12 C ATOM 318 C THR A 22 13.463 -24.081 1.353 1.00 51.54 C ATOM 319 O THR A 22 13.629 -24.981 0.529 1.00 74.22 O ATOM 320 CB THR A 22 13.989 -24.019 3.791 1.00 25.41 C ATOM 321 OG1 THR A 22 15.284 -24.421 3.330 1.00 22.41 O ATOM 322 CG2 THR A 22 13.691 -24.686 5.125 1.00 30.53 C ATOM 0 H THR A 22 13.266 -26.451 2.664 1.00 15.15 H new ATOM 0 HA THR A 22 12.027 -23.785 2.922 1.00 23.12 H new ATOM 0 HB THR A 22 13.973 -22.938 3.932 1.00 25.41 H new ATOM 0 HG1 THR A 22 15.798 -24.790 4.079 1.00 22.41 H new ATOM 0 HG21 THR A 22 14.459 -24.413 5.848 1.00 30.53 H new ATOM 0 HG22 THR A 22 12.718 -24.356 5.488 1.00 30.53 H new ATOM 0 HG23 THR A 22 13.682 -25.768 4.997 1.00 30.53 H new ATOM 330 N LEU A 23 13.739 -22.807 1.096 1.00 12.32 N ATOM 331 CA LEU A 23 14.264 -22.383 -0.197 1.00 63.01 C ATOM 332 C LEU A 23 15.482 -21.481 -0.021 1.00 55.32 C ATOM 333 O LEU A 23 15.416 -20.459 0.663 1.00 71.41 O ATOM 334 CB LEU A 23 13.183 -21.651 -0.994 1.00 3.31 C ATOM 335 CG LEU A 23 12.215 -22.534 -1.781 1.00 61.42 C ATOM 336 CD1 LEU A 23 11.384 -23.389 -0.837 1.00 11.32 C ATOM 337 CD2 LEU A 23 11.315 -21.684 -2.665 1.00 42.45 C ATOM 0 H LEU A 23 13.608 -22.050 1.766 1.00 12.32 H new ATOM 0 HA LEU A 23 14.571 -23.273 -0.746 1.00 63.01 H new ATOM 0 HB2 LEU A 23 12.604 -21.037 -0.304 1.00 3.31 H new ATOM 0 HB3 LEU A 23 13.672 -20.971 -1.692 1.00 3.31 H new ATOM 0 HG LEU A 23 12.798 -23.197 -2.421 1.00 61.42 H new ATOM 0 HD11 LEU A 23 10.701 -24.011 -1.415 1.00 11.32 H new ATOM 0 HD12 LEU A 23 12.043 -24.026 -0.247 1.00 11.32 H new ATOM 0 HD13 LEU A 23 10.811 -22.744 -0.171 1.00 11.32 H new ATOM 0 HD21 LEU A 23 10.633 -22.330 -3.218 1.00 42.45 H new ATOM 0 HD22 LEU A 23 10.741 -20.996 -2.045 1.00 42.45 H new ATOM 0 HD23 LEU A 23 11.926 -21.116 -3.367 1.00 42.45 H new ATOM 349 N SER A 24 16.591 -21.864 -0.645 1.00 11.11 N ATOM 350 CA SER A 24 17.824 -21.090 -0.556 1.00 71.41 C ATOM 351 C SER A 24 17.888 -20.041 -1.662 1.00 71.41 C ATOM 352 O SER A 24 17.442 -20.280 -2.785 1.00 3.20 O ATOM 353 CB SER A 24 19.039 -22.016 -0.644 1.00 51.14 C ATOM 354 OG SER A 24 20.189 -21.402 -0.089 1.00 41.24 O ATOM 0 H SER A 24 16.661 -22.705 -1.218 1.00 11.11 H new ATOM 0 HA SER A 24 17.835 -20.578 0.406 1.00 71.41 H new ATOM 0 HB2 SER A 24 18.830 -22.947 -0.117 1.00 51.14 H new ATOM 0 HB3 SER A 24 19.228 -22.275 -1.686 1.00 51.14 H new ATOM 0 HG SER A 24 20.951 -22.014 -0.156 1.00 41.24 H new ATOM 360 N ILE A 25 18.445 -18.880 -1.336 1.00 22.22 N ATOM 361 CA ILE A 25 18.569 -17.795 -2.301 1.00 11.12 C ATOM 362 C ILE A 25 19.948 -17.792 -2.952 1.00 31.53 C ATOM 363 O ILE A 25 20.966 -17.910 -2.270 1.00 61.05 O ATOM 364 CB ILE A 25 18.322 -16.425 -1.642 1.00 2.20 C ATOM 365 CG1 ILE A 25 18.191 -15.337 -2.710 1.00 73.20 C ATOM 366 CG2 ILE A 25 19.448 -16.092 -0.675 1.00 4.21 C ATOM 367 CD1 ILE A 25 16.911 -15.429 -3.512 1.00 23.22 C ATOM 0 H ILE A 25 18.818 -18.666 -0.411 1.00 22.22 H new ATOM 0 HA ILE A 25 17.810 -17.964 -3.065 1.00 11.12 H new ATOM 0 HB ILE A 25 17.389 -16.471 -1.081 1.00 2.20 H new ATOM 0 HG12 ILE A 25 18.240 -14.360 -2.230 1.00 73.20 H new ATOM 0 HG13 ILE A 25 19.041 -15.401 -3.389 1.00 73.20 H new ATOM 0 HG21 ILE A 25 19.259 -15.121 -0.217 1.00 4.21 H new ATOM 0 HG22 ILE A 25 19.499 -16.855 0.101 1.00 4.21 H new ATOM 0 HG23 ILE A 25 20.394 -16.061 -1.215 1.00 4.21 H new ATOM 0 HD11 ILE A 25 16.886 -14.627 -4.250 1.00 23.22 H new ATOM 0 HD12 ILE A 25 16.869 -16.392 -4.021 1.00 23.22 H new ATOM 0 HD13 ILE A 25 16.055 -15.334 -2.844 1.00 23.22 H new ATOM 379 N GLN A 26 19.972 -17.656 -4.274 1.00 21.15 N ATOM 380 CA GLN A 26 21.227 -17.637 -5.016 1.00 72.12 C ATOM 381 C GLN A 26 21.549 -16.229 -5.504 1.00 41.44 C ATOM 382 O GLN A 26 22.689 -15.931 -5.859 1.00 41.20 O ATOM 383 CB GLN A 26 21.155 -18.598 -6.204 1.00 42.45 C ATOM 384 CG GLN A 26 20.989 -20.054 -5.801 1.00 2.34 C ATOM 385 CD GLN A 26 19.809 -20.718 -6.482 1.00 41.44 C ATOM 386 OE1 GLN A 26 19.977 -21.634 -7.287 1.00 25.40 O ATOM 387 NE2 GLN A 26 18.605 -20.257 -6.163 1.00 61.44 N ATOM 0 H GLN A 26 19.138 -17.557 -4.853 1.00 21.15 H new ATOM 0 HA GLN A 26 22.023 -17.959 -4.345 1.00 72.12 H new ATOM 0 HB2 GLN A 26 20.321 -18.310 -6.844 1.00 42.45 H new ATOM 0 HB3 GLN A 26 22.063 -18.496 -6.799 1.00 42.45 H new ATOM 0 HG2 GLN A 26 21.900 -20.601 -6.046 1.00 2.34 H new ATOM 0 HG3 GLN A 26 20.861 -20.115 -4.720 1.00 2.34 H new ATOM 0 HE21 GLN A 26 18.512 -19.496 -5.490 1.00 61.44 H new ATOM 0 HE22 GLN A 26 17.773 -20.664 -6.591 1.00 61.44 H new ATOM 396 N GLU A 27 20.537 -15.367 -5.520 1.00 50.21 N ATOM 397 CA GLU A 27 20.714 -13.990 -5.966 1.00 53.14 C ATOM 398 C GLU A 27 20.307 -13.007 -4.872 1.00 54.15 C ATOM 399 O GLU A 27 20.078 -13.395 -3.727 1.00 33.31 O ATOM 400 CB GLU A 27 19.893 -13.731 -7.231 1.00 73.03 C ATOM 401 CG GLU A 27 20.073 -14.794 -8.302 1.00 34.21 C ATOM 402 CD GLU A 27 20.222 -14.204 -9.691 1.00 22.13 C ATOM 403 OE1 GLU A 27 19.479 -14.631 -10.599 1.00 51.01 O ATOM 404 OE2 GLU A 27 21.082 -13.316 -9.869 1.00 60.54 O ATOM 0 H GLU A 27 19.587 -15.598 -5.229 1.00 50.21 H new ATOM 0 HA GLU A 27 21.770 -13.840 -6.190 1.00 53.14 H new ATOM 0 HB2 GLU A 27 18.838 -13.672 -6.963 1.00 73.03 H new ATOM 0 HB3 GLU A 27 20.172 -12.761 -7.643 1.00 73.03 H new ATOM 0 HG2 GLU A 27 20.953 -15.393 -8.070 1.00 34.21 H new ATOM 0 HG3 GLU A 27 19.216 -15.468 -8.288 1.00 34.21 H new ATOM 411 N VAL A 28 20.219 -11.731 -5.234 1.00 51.15 N ATOM 412 CA VAL A 28 19.839 -10.691 -4.285 1.00 62.33 C ATOM 413 C VAL A 28 18.522 -10.036 -4.686 1.00 20.35 C ATOM 414 O VAL A 28 18.340 -9.633 -5.835 1.00 13.33 O ATOM 415 CB VAL A 28 20.927 -9.606 -4.176 1.00 61.41 C ATOM 416 CG1 VAL A 28 20.647 -8.685 -2.999 1.00 34.34 C ATOM 417 CG2 VAL A 28 22.303 -10.243 -4.050 1.00 31.02 C ATOM 0 H VAL A 28 20.406 -11.393 -6.178 1.00 51.15 H new ATOM 0 HA VAL A 28 19.721 -11.175 -3.316 1.00 62.33 H new ATOM 0 HB VAL A 28 20.911 -9.007 -5.086 1.00 61.41 H new ATOM 0 HG11 VAL A 28 21.426 -7.925 -2.938 1.00 34.34 H new ATOM 0 HG12 VAL A 28 19.679 -8.202 -3.137 1.00 34.34 H new ATOM 0 HG13 VAL A 28 20.634 -9.266 -2.077 1.00 34.34 H new ATOM 0 HG21 VAL A 28 23.060 -9.462 -3.974 1.00 31.02 H new ATOM 0 HG22 VAL A 28 22.335 -10.867 -3.157 1.00 31.02 H new ATOM 0 HG23 VAL A 28 22.502 -10.857 -4.929 1.00 31.02 H new ATOM 427 N THR A 29 17.604 -9.933 -3.729 1.00 42.42 N ATOM 428 CA THR A 29 16.303 -9.327 -3.981 1.00 72.03 C ATOM 429 C THR A 29 16.078 -8.114 -3.086 1.00 31.23 C ATOM 430 O THR A 29 15.133 -7.351 -3.285 1.00 61.33 O ATOM 431 CB THR A 29 15.161 -10.336 -3.756 1.00 53.14 C ATOM 432 OG1 THR A 29 13.899 -9.715 -4.026 1.00 33.21 O ATOM 433 CG2 THR A 29 15.178 -10.863 -2.330 1.00 32.34 C ATOM 0 H THR A 29 17.738 -10.262 -2.773 1.00 42.42 H new ATOM 0 HA THR A 29 16.299 -9.010 -5.024 1.00 72.03 H new ATOM 0 HB THR A 29 15.306 -11.174 -4.438 1.00 53.14 H new ATOM 0 HG1 THR A 29 13.945 -8.765 -3.791 1.00 33.21 H new ATOM 0 HG21 THR A 29 14.363 -11.574 -2.195 1.00 32.34 H new ATOM 0 HG22 THR A 29 16.129 -11.360 -2.137 1.00 32.34 H new ATOM 0 HG23 THR A 29 15.055 -10.033 -1.634 1.00 32.34 H new ATOM 441 N GLN A 30 16.952 -7.942 -2.100 1.00 22.45 N ATOM 442 CA GLN A 30 16.848 -6.821 -1.173 1.00 52.04 C ATOM 443 C GLN A 30 17.503 -5.572 -1.754 1.00 61.43 C ATOM 444 O GLN A 30 17.568 -4.530 -1.101 1.00 71.40 O ATOM 445 CB GLN A 30 17.497 -7.176 0.166 1.00 54.14 C ATOM 446 CG GLN A 30 16.936 -8.440 0.797 1.00 11.23 C ATOM 447 CD GLN A 30 15.941 -8.148 1.903 1.00 11.31 C ATOM 448 OE1 GLN A 30 15.259 -7.123 1.885 1.00 13.34 O ATOM 449 NE2 GLN A 30 15.853 -9.050 2.874 1.00 54.52 N ATOM 0 H GLN A 30 17.740 -8.565 -1.922 1.00 22.45 H new ATOM 0 HA GLN A 30 15.790 -6.613 -1.011 1.00 52.04 H new ATOM 0 HB2 GLN A 30 18.570 -7.298 0.019 1.00 54.14 H new ATOM 0 HB3 GLN A 30 17.363 -6.344 0.857 1.00 54.14 H new ATOM 0 HG2 GLN A 30 16.452 -9.042 0.028 1.00 11.23 H new ATOM 0 HG3 GLN A 30 17.756 -9.036 1.199 1.00 11.23 H new ATOM 0 HE21 GLN A 30 16.438 -9.885 2.849 1.00 54.52 H new ATOM 0 HE22 GLN A 30 15.201 -8.907 3.645 1.00 54.52 H new ATOM 458 N THR A 31 17.989 -5.684 -2.987 1.00 1.22 N ATOM 459 CA THR A 31 18.641 -4.565 -3.655 1.00 50.14 C ATOM 460 C THR A 31 17.805 -4.061 -4.826 1.00 72.22 C ATOM 461 O THR A 31 18.306 -3.354 -5.701 1.00 12.14 O ATOM 462 CB THR A 31 20.040 -4.955 -4.169 1.00 11.13 C ATOM 463 OG1 THR A 31 20.049 -6.329 -4.571 1.00 74.11 O ATOM 464 CG2 THR A 31 21.093 -4.729 -3.094 1.00 71.23 C ATOM 0 H THR A 31 17.943 -6.538 -3.542 1.00 1.22 H new ATOM 0 HA THR A 31 18.742 -3.771 -2.915 1.00 50.14 H new ATOM 0 HB THR A 31 20.277 -4.325 -5.026 1.00 11.13 H new ATOM 0 HG1 THR A 31 20.941 -6.568 -4.898 1.00 74.11 H new ATOM 0 HG21 THR A 31 22.073 -5.011 -3.479 1.00 71.23 H new ATOM 0 HG22 THR A 31 21.104 -3.676 -2.811 1.00 71.23 H new ATOM 0 HG23 THR A 31 20.858 -5.337 -2.221 1.00 71.23 H new ATOM 472 N TYR A 32 16.528 -4.429 -4.837 1.00 25.11 N ATOM 473 CA TYR A 32 15.623 -4.016 -5.902 1.00 53.50 C ATOM 474 C TYR A 32 14.434 -3.245 -5.337 1.00 55.52 C ATOM 475 O TYR A 32 13.972 -3.516 -4.228 1.00 52.42 O ATOM 476 CB TYR A 32 15.130 -5.235 -6.683 1.00 52.10 C ATOM 477 CG TYR A 32 16.155 -5.794 -7.643 1.00 42.03 C ATOM 478 CD1 TYR A 32 16.882 -6.935 -7.327 1.00 70.30 C ATOM 479 CD2 TYR A 32 16.398 -5.181 -8.866 1.00 40.20 C ATOM 480 CE1 TYR A 32 17.820 -7.449 -8.201 1.00 24.52 C ATOM 481 CE2 TYR A 32 17.333 -5.689 -9.747 1.00 4.34 C ATOM 482 CZ TYR A 32 18.042 -6.823 -9.409 1.00 41.04 C ATOM 483 OH TYR A 32 18.976 -7.331 -10.283 1.00 73.33 O ATOM 0 H TYR A 32 16.097 -5.013 -4.120 1.00 25.11 H new ATOM 0 HA TYR A 32 16.172 -3.359 -6.577 1.00 53.50 H new ATOM 0 HB2 TYR A 32 14.841 -6.015 -5.978 1.00 52.10 H new ATOM 0 HB3 TYR A 32 14.234 -4.961 -7.240 1.00 52.10 H new ATOM 0 HD1 TYR A 32 16.711 -7.429 -6.382 1.00 70.30 H new ATOM 0 HD2 TYR A 32 15.846 -4.292 -9.133 1.00 40.20 H new ATOM 0 HE1 TYR A 32 18.377 -8.337 -7.939 1.00 24.52 H new ATOM 0 HE2 TYR A 32 17.508 -5.201 -10.695 1.00 4.34 H new ATOM 0 HH TYR A 32 19.009 -6.773 -11.088 1.00 73.33 H new ATOM 493 N THR A 33 13.941 -2.281 -6.109 1.00 53.13 N ATOM 494 CA THR A 33 12.806 -1.469 -5.688 1.00 20.11 C ATOM 495 C THR A 33 12.006 -0.978 -6.889 1.00 14.45 C ATOM 496 O THR A 33 12.533 -0.865 -7.994 1.00 72.04 O ATOM 497 CB THR A 33 13.262 -0.255 -4.857 1.00 53.31 C ATOM 498 OG1 THR A 33 14.221 -0.664 -3.876 1.00 62.33 O ATOM 499 CG2 THR A 33 12.077 0.406 -4.170 1.00 15.05 C ATOM 0 H THR A 33 14.310 -2.044 -7.030 1.00 53.13 H new ATOM 0 HA THR A 33 12.173 -2.106 -5.070 1.00 20.11 H new ATOM 0 HB THR A 33 13.720 0.468 -5.532 1.00 53.31 H new ATOM 0 HG1 THR A 33 14.507 0.114 -3.353 1.00 62.33 H new ATOM 0 HG21 THR A 33 12.424 1.261 -3.589 1.00 15.05 H new ATOM 0 HG22 THR A 33 11.363 0.743 -4.921 1.00 15.05 H new ATOM 0 HG23 THR A 33 11.594 -0.312 -3.507 1.00 15.05 H new ATOM 507 N GLY A 34 10.728 -0.685 -6.663 1.00 62.20 N ATOM 508 CA GLY A 34 9.876 -0.208 -7.736 1.00 73.33 C ATOM 509 C GLY A 34 8.653 0.525 -7.223 1.00 12.52 C ATOM 510 O GLY A 34 8.198 1.492 -7.835 1.00 31.22 O ATOM 0 H GLY A 34 10.269 -0.770 -5.756 1.00 62.20 H new ATOM 0 HA2 GLY A 34 10.449 0.456 -8.383 1.00 73.33 H new ATOM 0 HA3 GLY A 34 9.559 -1.053 -8.347 1.00 73.33 H new ATOM 514 N SER A 35 8.118 0.065 -6.096 1.00 52.15 N ATOM 515 CA SER A 35 6.936 0.681 -5.504 1.00 24.03 C ATOM 516 C SER A 35 7.311 1.503 -4.275 1.00 3.34 C ATOM 517 O SER A 35 8.287 1.204 -3.588 1.00 61.20 O ATOM 518 CB SER A 35 5.914 -0.391 -5.122 1.00 12.12 C ATOM 519 OG SER A 35 6.519 -1.428 -4.369 1.00 12.32 O ATOM 0 H SER A 35 8.484 -0.732 -5.575 1.00 52.15 H new ATOM 0 HA SER A 35 6.493 1.347 -6.245 1.00 24.03 H new ATOM 0 HB2 SER A 35 5.108 0.060 -4.543 1.00 12.12 H new ATOM 0 HB3 SER A 35 5.464 -0.807 -6.024 1.00 12.12 H new ATOM 0 HG SER A 35 5.860 -1.813 -3.754 1.00 12.32 H new ATOM 525 N ASN A 36 6.528 2.542 -4.004 1.00 13.21 N ATOM 526 CA ASN A 36 6.777 3.409 -2.858 1.00 53.31 C ATOM 527 C ASN A 36 8.219 3.906 -2.855 1.00 42.22 C ATOM 528 O ASN A 36 8.812 4.117 -1.798 1.00 41.11 O ATOM 529 CB ASN A 36 6.479 2.665 -1.555 1.00 2.13 C ATOM 530 CG ASN A 36 5.591 3.466 -0.622 1.00 23.53 C ATOM 531 OD1 ASN A 36 4.629 2.941 -0.061 1.00 54.32 O ATOM 532 ND2 ASN A 36 5.912 4.743 -0.451 1.00 73.12 N ATOM 0 H ASN A 36 5.716 2.804 -4.562 1.00 13.21 H new ATOM 0 HA ASN A 36 6.115 4.271 -2.936 1.00 53.31 H new ATOM 0 HB2 ASN A 36 5.997 1.715 -1.784 1.00 2.13 H new ATOM 0 HB3 ASN A 36 7.417 2.433 -1.050 1.00 2.13 H new ATOM 0 HD21 ASN A 36 5.352 5.331 0.166 1.00 73.12 H new ATOM 0 HD22 ASN A 36 6.718 5.136 -0.937 1.00 73.12 H new ATOM 539 N GLY A 37 8.778 4.092 -4.047 1.00 70.24 N ATOM 540 CA GLY A 37 10.146 4.563 -4.160 1.00 71.13 C ATOM 541 C GLY A 37 10.646 4.554 -5.591 1.00 62.31 C ATOM 542 O GLY A 37 10.873 5.608 -6.184 1.00 22.34 O ATOM 0 H GLY A 37 8.308 3.925 -4.937 1.00 70.24 H new ATOM 0 HA2 GLY A 37 10.212 5.575 -3.762 1.00 71.13 H new ATOM 0 HA3 GLY A 37 10.795 3.936 -3.548 1.00 71.13 H new ATOM 546 N GLY A 38 10.820 3.359 -6.148 1.00 63.11 N ATOM 547 CA GLY A 38 11.298 3.239 -7.513 1.00 54.33 C ATOM 548 C GLY A 38 12.776 3.550 -7.640 1.00 12.20 C ATOM 549 O GLY A 38 13.153 4.630 -8.095 1.00 21.41 O ATOM 0 H GLY A 38 10.638 2.472 -5.678 1.00 63.11 H new ATOM 0 HA2 GLY A 38 11.111 2.227 -7.872 1.00 54.33 H new ATOM 0 HA3 GLY A 38 10.731 3.915 -8.154 1.00 54.33 H new ATOM 553 N ALA A 39 13.615 2.603 -7.235 1.00 60.40 N ATOM 554 CA ALA A 39 15.060 2.781 -7.306 1.00 30.32 C ATOM 555 C ALA A 39 15.791 1.537 -6.812 1.00 2.23 C ATOM 556 O ALA A 39 16.056 1.394 -5.618 1.00 14.22 O ATOM 557 CB ALA A 39 15.482 3.999 -6.498 1.00 52.21 C ATOM 0 H ALA A 39 13.319 1.704 -6.854 1.00 60.40 H new ATOM 0 HA ALA A 39 15.331 2.939 -8.350 1.00 30.32 H new ATOM 0 HB1 ALA A 39 16.564 4.120 -6.560 1.00 52.21 H new ATOM 0 HB2 ALA A 39 14.994 4.888 -6.898 1.00 52.21 H new ATOM 0 HB3 ALA A 39 15.191 3.863 -5.456 1.00 52.21 H new ATOM 563 N ASP A 40 16.115 0.640 -7.737 1.00 13.23 N ATOM 564 CA ASP A 40 16.816 -0.592 -7.395 1.00 1.22 C ATOM 565 C ASP A 40 18.311 -0.338 -7.228 1.00 10.42 C ATOM 566 O ASP A 40 18.983 0.112 -8.157 1.00 71.43 O ATOM 567 CB ASP A 40 16.584 -1.652 -8.472 1.00 53.04 C ATOM 568 CG ASP A 40 17.065 -1.204 -9.839 1.00 31.15 C ATOM 569 OD1 ASP A 40 16.258 -0.616 -10.589 1.00 11.22 O ATOM 570 OD2 ASP A 40 18.249 -1.441 -10.157 1.00 74.02 O ATOM 0 H ASP A 40 15.903 0.743 -8.729 1.00 13.23 H new ATOM 0 HA ASP A 40 16.419 -0.955 -6.447 1.00 1.22 H new ATOM 0 HB2 ASP A 40 17.100 -2.570 -8.191 1.00 53.04 H new ATOM 0 HB3 ASP A 40 15.521 -1.887 -8.523 1.00 53.04 H new ATOM 575 N LEU A 41 18.826 -0.627 -6.038 1.00 14.33 N ATOM 576 CA LEU A 41 20.242 -0.429 -5.748 1.00 15.42 C ATOM 577 C LEU A 41 20.646 -1.170 -4.478 1.00 23.22 C ATOM 578 O LEU A 41 19.910 -2.024 -3.985 1.00 11.14 O ATOM 579 CB LEU A 41 20.549 1.063 -5.601 1.00 74.31 C ATOM 580 CG LEU A 41 21.858 1.543 -6.228 1.00 55.44 C ATOM 581 CD1 LEU A 41 21.671 1.812 -7.714 1.00 33.33 C ATOM 582 CD2 LEU A 41 22.363 2.791 -5.519 1.00 15.24 C ATOM 0 H LEU A 41 18.284 -0.999 -5.258 1.00 14.33 H new ATOM 0 HA LEU A 41 20.818 -0.832 -6.581 1.00 15.42 H new ATOM 0 HB2 LEU A 41 19.729 1.628 -6.044 1.00 74.31 H new ATOM 0 HB3 LEU A 41 20.567 1.307 -4.539 1.00 74.31 H new ATOM 0 HG LEU A 41 22.604 0.756 -6.112 1.00 55.44 H new ATOM 0 HD11 LEU A 41 22.613 2.153 -8.143 1.00 33.33 H new ATOM 0 HD12 LEU A 41 21.355 0.896 -8.213 1.00 33.33 H new ATOM 0 HD13 LEU A 41 20.910 2.581 -7.852 1.00 33.33 H new ATOM 0 HD21 LEU A 41 23.296 3.118 -5.979 1.00 15.24 H new ATOM 0 HD22 LEU A 41 21.619 3.583 -5.603 1.00 15.24 H new ATOM 0 HD23 LEU A 41 22.537 2.566 -4.467 1.00 15.24 H new ATOM 594 N MET A 42 21.821 -0.836 -3.953 1.00 35.34 N ATOM 595 CA MET A 42 22.321 -1.468 -2.738 1.00 23.54 C ATOM 596 C MET A 42 22.368 -0.470 -1.585 1.00 63.31 C ATOM 597 O MET A 42 23.015 0.572 -1.680 1.00 22.22 O ATOM 598 CB MET A 42 23.714 -2.053 -2.978 1.00 63.33 C ATOM 599 CG MET A 42 24.305 -2.740 -1.757 1.00 55.23 C ATOM 600 SD MET A 42 25.529 -3.992 -2.188 1.00 53.51 S ATOM 601 CE MET A 42 27.017 -3.256 -1.515 1.00 14.21 C ATOM 0 H MET A 42 22.444 -0.132 -4.350 1.00 35.34 H new ATOM 0 HA MET A 42 21.637 -2.274 -2.470 1.00 23.54 H new ATOM 0 HB2 MET A 42 23.662 -2.770 -3.798 1.00 63.33 H new ATOM 0 HB3 MET A 42 24.385 -1.254 -3.295 1.00 63.33 H new ATOM 0 HG2 MET A 42 24.767 -1.992 -1.113 1.00 55.23 H new ATOM 0 HG3 MET A 42 23.503 -3.204 -1.183 1.00 55.23 H new ATOM 0 HE1 MET A 42 27.768 -4.031 -1.360 1.00 14.21 H new ATOM 0 HE2 MET A 42 27.402 -2.511 -2.212 1.00 14.21 H new ATOM 0 HE3 MET A 42 26.788 -2.778 -0.563 1.00 14.21 H new ATOM 611 N GLY A 43 21.678 -0.796 -0.497 1.00 33.54 N ATOM 612 CA GLY A 43 21.654 0.082 0.658 1.00 40.41 C ATOM 613 C GLY A 43 21.125 -0.606 1.900 1.00 30.52 C ATOM 614 O GLY A 43 21.857 -0.852 2.859 1.00 30.22 O ATOM 0 H GLY A 43 21.135 -1.653 -0.395 1.00 33.54 H new ATOM 0 HA2 GLY A 43 22.662 0.450 0.852 1.00 40.41 H new ATOM 0 HA3 GLY A 43 21.035 0.951 0.437 1.00 40.41 H new ATOM 618 N PRO A 44 19.823 -0.928 1.894 1.00 71.40 N ATOM 619 CA PRO A 44 19.167 -1.596 3.022 1.00 22.41 C ATOM 620 C PRO A 44 19.624 -3.042 3.185 1.00 4.12 C ATOM 621 O PRO A 44 19.688 -3.561 4.299 1.00 14.12 O ATOM 622 CB PRO A 44 17.683 -1.544 2.652 1.00 51.54 C ATOM 623 CG PRO A 44 17.667 -1.452 1.165 1.00 73.22 C ATOM 624 CD PRO A 44 18.891 -0.666 0.785 1.00 53.42 C ATOM 0 HA PRO A 44 19.401 -1.115 3.972 1.00 22.41 H new ATOM 0 HB2 PRO A 44 17.157 -2.433 2.999 1.00 51.54 H new ATOM 0 HB3 PRO A 44 17.191 -0.684 3.107 1.00 51.54 H new ATOM 0 HG2 PRO A 44 17.684 -2.444 0.713 1.00 73.22 H new ATOM 0 HG3 PRO A 44 16.761 -0.957 0.814 1.00 73.22 H new ATOM 0 HD2 PRO A 44 19.300 -0.996 -0.170 1.00 53.42 H new ATOM 0 HD3 PRO A 44 18.671 0.397 0.687 1.00 53.42 H new ATOM 632 N ALA A 45 19.943 -3.687 2.068 1.00 54.35 N ATOM 633 CA ALA A 45 20.396 -5.072 2.087 1.00 5.34 C ATOM 634 C ALA A 45 21.771 -5.190 2.738 1.00 54.10 C ATOM 635 O ALA A 45 21.992 -6.047 3.594 1.00 14.42 O ATOM 636 CB ALA A 45 20.429 -5.637 0.675 1.00 13.11 C ATOM 0 H ALA A 45 19.896 -3.272 1.138 1.00 54.35 H new ATOM 0 HA ALA A 45 19.689 -5.651 2.681 1.00 5.34 H new ATOM 0 HB1 ALA A 45 20.769 -6.672 0.705 1.00 13.11 H new ATOM 0 HB2 ALA A 45 19.429 -5.596 0.243 1.00 13.11 H new ATOM 0 HB3 ALA A 45 21.112 -5.048 0.063 1.00 13.11 H new ATOM 642 N PHE A 46 22.691 -4.325 2.326 1.00 5.10 N ATOM 643 CA PHE A 46 24.045 -4.334 2.868 1.00 43.31 C ATOM 644 C PHE A 46 24.052 -3.869 4.321 1.00 4.22 C ATOM 645 O PHE A 46 24.940 -4.227 5.094 1.00 23.23 O ATOM 646 CB PHE A 46 24.959 -3.437 2.029 1.00 32.34 C ATOM 647 CG PHE A 46 26.410 -3.815 2.113 1.00 61.35 C ATOM 648 CD1 PHE A 46 27.333 -2.951 2.679 1.00 23.40 C ATOM 649 CD2 PHE A 46 26.851 -5.034 1.624 1.00 61.44 C ATOM 650 CE1 PHE A 46 28.670 -3.296 2.757 1.00 35.35 C ATOM 651 CE2 PHE A 46 28.186 -5.385 1.700 1.00 52.14 C ATOM 652 CZ PHE A 46 29.096 -4.514 2.266 1.00 23.31 C ATOM 0 H PHE A 46 22.524 -3.609 1.619 1.00 5.10 H new ATOM 0 HA PHE A 46 24.418 -5.358 2.831 1.00 43.31 H new ATOM 0 HB2 PHE A 46 24.640 -3.480 0.988 1.00 32.34 H new ATOM 0 HB3 PHE A 46 24.841 -2.404 2.356 1.00 32.34 H new ATOM 0 HD1 PHE A 46 27.005 -1.997 3.064 1.00 23.40 H new ATOM 0 HD2 PHE A 46 26.144 -5.718 1.178 1.00 61.44 H new ATOM 0 HE1 PHE A 46 29.380 -2.614 3.201 1.00 35.35 H new ATOM 0 HE2 PHE A 46 28.517 -6.339 1.317 1.00 52.14 H new ATOM 0 HZ PHE A 46 30.140 -4.785 2.324 1.00 23.31 H new ATOM 662 N ALA A 47 23.056 -3.068 4.685 1.00 42.21 N ATOM 663 CA ALA A 47 22.946 -2.555 6.045 1.00 41.43 C ATOM 664 C ALA A 47 22.588 -3.667 7.024 1.00 24.21 C ATOM 665 O ALA A 47 23.065 -3.686 8.158 1.00 4.54 O ATOM 666 CB ALA A 47 21.911 -1.441 6.106 1.00 33.44 C ATOM 0 H ALA A 47 22.314 -2.760 4.057 1.00 42.21 H new ATOM 0 HA ALA A 47 23.916 -2.151 6.335 1.00 41.43 H new ATOM 0 HB1 ALA A 47 21.839 -1.067 7.127 1.00 33.44 H new ATOM 0 HB2 ALA A 47 22.210 -0.630 5.443 1.00 33.44 H new ATOM 0 HB3 ALA A 47 20.941 -1.828 5.792 1.00 33.44 H new ATOM 672 N ALA A 48 21.745 -4.593 6.579 1.00 65.14 N ATOM 673 CA ALA A 48 21.325 -5.710 7.416 1.00 41.22 C ATOM 674 C ALA A 48 22.216 -6.927 7.195 1.00 62.30 C ATOM 675 O ALA A 48 22.312 -7.803 8.054 1.00 10.31 O ATOM 676 CB ALA A 48 19.871 -6.060 7.137 1.00 31.13 C ATOM 0 H ALA A 48 21.339 -4.592 5.643 1.00 65.14 H new ATOM 0 HA ALA A 48 21.421 -5.407 8.459 1.00 41.22 H new ATOM 0 HB1 ALA A 48 19.570 -6.896 7.769 1.00 31.13 H new ATOM 0 HB2 ALA A 48 19.241 -5.197 7.353 1.00 31.13 H new ATOM 0 HB3 ALA A 48 19.758 -6.338 6.089 1.00 31.13 H new ATOM 682 N GLY A 49 22.867 -6.977 6.036 1.00 12.33 N ATOM 683 CA GLY A 49 23.741 -8.092 5.723 1.00 31.14 C ATOM 684 C GLY A 49 23.064 -9.133 4.854 1.00 30.23 C ATOM 685 O GLY A 49 23.549 -10.258 4.728 1.00 22.32 O ATOM 0 H GLY A 49 22.804 -6.265 5.309 1.00 12.33 H new ATOM 0 HA2 GLY A 49 24.630 -7.721 5.214 1.00 31.14 H new ATOM 0 HA3 GLY A 49 24.076 -8.559 6.650 1.00 31.14 H new ATOM 689 N LEU A 50 21.939 -8.760 4.254 1.00 2.22 N ATOM 690 CA LEU A 50 21.193 -9.670 3.393 1.00 34.41 C ATOM 691 C LEU A 50 21.951 -9.940 2.098 1.00 44.24 C ATOM 692 O LEU A 50 22.107 -9.050 1.261 1.00 10.23 O ATOM 693 CB LEU A 50 19.813 -9.090 3.078 1.00 11.11 C ATOM 694 CG LEU A 50 19.005 -8.590 4.277 1.00 63.44 C ATOM 695 CD1 LEU A 50 18.181 -7.371 3.894 1.00 1.11 C ATOM 696 CD2 LEU A 50 18.108 -9.696 4.813 1.00 31.01 C ATOM 0 H LEU A 50 21.524 -7.833 4.348 1.00 2.22 H new ATOM 0 HA LEU A 50 21.071 -10.614 3.924 1.00 34.41 H new ATOM 0 HB2 LEU A 50 19.940 -8.262 2.380 1.00 11.11 H new ATOM 0 HB3 LEU A 50 19.229 -9.854 2.564 1.00 11.11 H new ATOM 0 HG LEU A 50 19.700 -8.300 5.065 1.00 63.44 H new ATOM 0 HD11 LEU A 50 17.613 -7.029 4.759 1.00 1.11 H new ATOM 0 HD12 LEU A 50 18.845 -6.574 3.558 1.00 1.11 H new ATOM 0 HD13 LEU A 50 17.494 -7.634 3.090 1.00 1.11 H new ATOM 0 HD21 LEU A 50 17.540 -9.323 5.666 1.00 31.01 H new ATOM 0 HD22 LEU A 50 17.420 -10.017 4.031 1.00 31.01 H new ATOM 0 HD23 LEU A 50 18.721 -10.541 5.127 1.00 31.01 H new ATOM 708 N ARG A 51 22.420 -11.173 1.938 1.00 72.23 N ATOM 709 CA ARG A 51 23.161 -11.560 0.744 1.00 63.05 C ATOM 710 C ARG A 51 22.813 -12.986 0.325 1.00 2.45 C ATOM 711 O ARG A 51 22.029 -13.664 0.988 1.00 34.35 O ATOM 712 CB ARG A 51 24.666 -11.443 0.992 1.00 43.04 C ATOM 713 CG ARG A 51 25.232 -10.071 0.665 1.00 5.21 C ATOM 714 CD ARG A 51 26.049 -10.096 -0.617 1.00 44.13 C ATOM 715 NE ARG A 51 27.350 -10.733 -0.426 1.00 14.44 N ATOM 716 CZ ARG A 51 28.148 -11.089 -1.426 1.00 1.24 C ATOM 717 NH1 ARG A 51 27.781 -10.871 -2.681 1.00 22.20 N ATOM 718 NH2 ARG A 51 29.317 -11.663 -1.171 1.00 33.52 N ATOM 0 H ARG A 51 22.300 -11.921 2.621 1.00 72.23 H new ATOM 0 HA ARG A 51 22.878 -10.884 -0.063 1.00 63.05 H new ATOM 0 HB2 ARG A 51 24.872 -11.672 2.038 1.00 43.04 H new ATOM 0 HB3 ARG A 51 25.184 -12.192 0.393 1.00 43.04 H new ATOM 0 HG2 ARG A 51 24.417 -9.355 0.564 1.00 5.21 H new ATOM 0 HG3 ARG A 51 25.857 -9.728 1.489 1.00 5.21 H new ATOM 0 HD2 ARG A 51 25.495 -10.629 -1.390 1.00 44.13 H new ATOM 0 HD3 ARG A 51 26.194 -9.076 -0.974 1.00 44.13 H new ATOM 0 HE ARG A 51 27.662 -10.914 0.528 1.00 14.44 H new ATOM 0 HH11 ARG A 51 26.884 -10.429 -2.880 1.00 22.20 H new ATOM 0 HH12 ARG A 51 28.396 -11.145 -3.447 1.00 22.20 H new ATOM 0 HH21 ARG A 51 29.603 -11.831 -0.206 1.00 33.52 H new ATOM 0 HH22 ARG A 51 29.929 -11.936 -1.940 1.00 33.52 H new ATOM 732 N VAL A 52 23.402 -13.433 -0.779 1.00 72.41 N ATOM 733 CA VAL A 52 23.155 -14.778 -1.286 1.00 33.13 C ATOM 734 C VAL A 52 23.661 -15.835 -0.310 1.00 42.52 C ATOM 735 O VAL A 52 24.820 -15.808 0.103 1.00 34.24 O ATOM 736 CB VAL A 52 23.827 -14.995 -2.654 1.00 40.54 C ATOM 737 CG1 VAL A 52 23.217 -14.074 -3.701 1.00 33.52 C ATOM 738 CG2 VAL A 52 25.329 -14.775 -2.551 1.00 32.25 C ATOM 0 H VAL A 52 24.054 -12.884 -1.340 1.00 72.41 H new ATOM 0 HA VAL A 52 22.076 -14.879 -1.400 1.00 33.13 H new ATOM 0 HB VAL A 52 23.654 -16.025 -2.964 1.00 40.54 H new ATOM 0 HG11 VAL A 52 23.705 -14.242 -4.661 1.00 33.52 H new ATOM 0 HG12 VAL A 52 22.151 -14.284 -3.794 1.00 33.52 H new ATOM 0 HG13 VAL A 52 23.358 -13.036 -3.399 1.00 33.52 H new ATOM 0 HG21 VAL A 52 25.788 -14.933 -3.527 1.00 32.25 H new ATOM 0 HG22 VAL A 52 25.525 -13.756 -2.218 1.00 32.25 H new ATOM 0 HG23 VAL A 52 25.751 -15.479 -1.834 1.00 32.25 H new ATOM 748 N GLY A 53 22.784 -16.765 0.054 1.00 62.42 N ATOM 749 CA GLY A 53 23.161 -17.819 0.978 1.00 42.20 C ATOM 750 C GLY A 53 22.183 -17.960 2.127 1.00 55.31 C ATOM 751 O GLY A 53 22.174 -18.975 2.823 1.00 73.43 O ATOM 0 H GLY A 53 21.819 -16.808 -0.274 1.00 62.42 H new ATOM 0 HA2 GLY A 53 23.223 -18.765 0.440 1.00 42.20 H new ATOM 0 HA3 GLY A 53 24.155 -17.612 1.374 1.00 42.20 H new ATOM 755 N ASP A 54 21.357 -16.938 2.328 1.00 64.23 N ATOM 756 CA ASP A 54 20.370 -16.952 3.401 1.00 24.01 C ATOM 757 C ASP A 54 18.994 -17.338 2.869 1.00 71.03 C ATOM 758 O ASP A 54 18.457 -16.681 1.978 1.00 53.23 O ATOM 759 CB ASP A 54 20.303 -15.583 4.079 1.00 42.52 C ATOM 760 CG ASP A 54 21.605 -15.210 4.761 1.00 52.52 C ATOM 761 OD1 ASP A 54 22.332 -14.349 4.222 1.00 63.24 O ATOM 762 OD2 ASP A 54 21.896 -15.777 5.834 1.00 35.22 O ATOM 0 H ASP A 54 21.352 -16.090 1.762 1.00 64.23 H new ATOM 0 HA ASP A 54 20.678 -17.697 4.134 1.00 24.01 H new ATOM 0 HB2 ASP A 54 20.055 -14.825 3.336 1.00 42.52 H new ATOM 0 HB3 ASP A 54 19.498 -15.584 4.814 1.00 42.52 H new ATOM 767 N GLN A 55 18.430 -18.408 3.420 1.00 4.13 N ATOM 768 CA GLN A 55 17.117 -18.882 2.999 1.00 44.10 C ATOM 769 C GLN A 55 16.023 -17.913 3.435 1.00 22.23 C ATOM 770 O GLN A 55 16.049 -17.392 4.551 1.00 24.21 O ATOM 771 CB GLN A 55 16.844 -20.272 3.576 1.00 3.11 C ATOM 772 CG GLN A 55 17.684 -21.369 2.942 1.00 31.55 C ATOM 773 CD GLN A 55 17.772 -22.611 3.808 1.00 15.35 C ATOM 774 OE1 GLN A 55 17.630 -22.541 5.030 1.00 44.13 O ATOM 775 NE2 GLN A 55 18.005 -23.756 3.179 1.00 25.43 N ATOM 0 H GLN A 55 18.862 -18.963 4.159 1.00 4.13 H new ATOM 0 HA GLN A 55 17.112 -18.941 1.911 1.00 44.10 H new ATOM 0 HB2 GLN A 55 17.034 -20.255 4.649 1.00 3.11 H new ATOM 0 HB3 GLN A 55 15.789 -20.511 3.443 1.00 3.11 H new ATOM 0 HG2 GLN A 55 17.258 -21.635 1.975 1.00 31.55 H new ATOM 0 HG3 GLN A 55 18.688 -20.990 2.754 1.00 31.55 H new ATOM 0 HE21 GLN A 55 18.116 -23.767 2.165 1.00 25.43 H new ATOM 0 HE22 GLN A 55 18.073 -24.625 3.709 1.00 25.43 H new ATOM 784 N LEU A 56 15.063 -17.676 2.549 1.00 14.30 N ATOM 785 CA LEU A 56 13.958 -16.769 2.842 1.00 3.33 C ATOM 786 C LEU A 56 12.623 -17.504 2.795 1.00 54.21 C ATOM 787 O LEU A 56 12.248 -18.068 1.766 1.00 4.44 O ATOM 788 CB LEU A 56 13.949 -15.606 1.848 1.00 63.30 C ATOM 789 CG LEU A 56 14.811 -14.399 2.219 1.00 64.12 C ATOM 790 CD1 LEU A 56 14.344 -13.793 3.533 1.00 53.54 C ATOM 791 CD2 LEU A 56 16.278 -14.797 2.305 1.00 34.31 C ATOM 0 H LEU A 56 15.027 -18.099 1.622 1.00 14.30 H new ATOM 0 HA LEU A 56 14.100 -16.377 3.849 1.00 3.33 H new ATOM 0 HB2 LEU A 56 14.280 -15.980 0.879 1.00 63.30 H new ATOM 0 HB3 LEU A 56 12.920 -15.268 1.724 1.00 63.30 H new ATOM 0 HG LEU A 56 14.704 -13.647 1.437 1.00 64.12 H new ATOM 0 HD11 LEU A 56 14.969 -12.935 3.781 1.00 53.54 H new ATOM 0 HD12 LEU A 56 13.307 -13.471 3.437 1.00 53.54 H new ATOM 0 HD13 LEU A 56 14.420 -14.538 4.325 1.00 53.54 H new ATOM 0 HD21 LEU A 56 16.877 -13.925 2.570 1.00 34.31 H new ATOM 0 HD22 LEU A 56 16.402 -15.567 3.066 1.00 34.31 H new ATOM 0 HD23 LEU A 56 16.607 -15.184 1.340 1.00 34.31 H new ATOM 803 N VAL A 57 11.906 -17.492 3.915 1.00 43.24 N ATOM 804 CA VAL A 57 10.610 -18.154 4.000 1.00 23.41 C ATOM 805 C VAL A 57 9.506 -17.160 4.340 1.00 50.33 C ATOM 806 O VAL A 57 8.388 -17.261 3.833 1.00 3.25 O ATOM 807 CB VAL A 57 10.621 -19.274 5.058 1.00 11.21 C ATOM 808 CG1 VAL A 57 10.990 -18.715 6.424 1.00 44.34 C ATOM 809 CG2 VAL A 57 9.271 -19.973 5.107 1.00 71.24 C ATOM 0 H VAL A 57 12.201 -17.031 4.776 1.00 43.24 H new ATOM 0 HA VAL A 57 10.413 -18.590 3.021 1.00 23.41 H new ATOM 0 HB VAL A 57 11.376 -20.008 4.776 1.00 11.21 H new ATOM 0 HG11 VAL A 57 10.993 -19.521 7.158 1.00 44.34 H new ATOM 0 HG12 VAL A 57 11.981 -18.264 6.377 1.00 44.34 H new ATOM 0 HG13 VAL A 57 10.261 -17.959 6.717 1.00 44.34 H new ATOM 0 HG21 VAL A 57 9.296 -20.761 5.859 1.00 71.24 H new ATOM 0 HG22 VAL A 57 8.496 -19.251 5.364 1.00 71.24 H new ATOM 0 HG23 VAL A 57 9.051 -20.409 4.132 1.00 71.24 H new ATOM 819 N ARG A 58 9.827 -16.198 5.200 1.00 72.54 N ATOM 820 CA ARG A 58 8.862 -15.185 5.608 1.00 75.03 C ATOM 821 C ARG A 58 7.560 -15.830 6.074 1.00 31.50 C ATOM 822 O ARG A 58 6.483 -15.251 5.935 1.00 13.35 O ATOM 823 CB ARG A 58 8.581 -14.223 4.452 1.00 53.11 C ATOM 824 CG ARG A 58 8.733 -12.758 4.828 1.00 64.20 C ATOM 825 CD ARG A 58 9.184 -11.922 3.640 1.00 34.12 C ATOM 826 NE ARG A 58 10.414 -11.187 3.923 1.00 74.31 N ATOM 827 CZ ARG A 58 10.486 -10.180 4.786 1.00 60.01 C ATOM 828 NH1 ARG A 58 9.405 -9.790 5.447 1.00 20.22 N ATOM 829 NH2 ARG A 58 11.642 -9.561 4.989 1.00 11.31 N ATOM 0 H ARG A 58 10.748 -16.100 5.627 1.00 72.54 H new ATOM 0 HA ARG A 58 9.290 -14.627 6.441 1.00 75.03 H new ATOM 0 HB2 ARG A 58 9.258 -14.450 3.629 1.00 53.11 H new ATOM 0 HB3 ARG A 58 7.568 -14.393 4.087 1.00 53.11 H new ATOM 0 HG2 ARG A 58 7.783 -12.377 5.203 1.00 64.20 H new ATOM 0 HG3 ARG A 58 9.457 -12.662 5.638 1.00 64.20 H new ATOM 0 HD2 ARG A 58 9.340 -12.571 2.778 1.00 34.12 H new ATOM 0 HD3 ARG A 58 8.395 -11.219 3.371 1.00 34.12 H new ATOM 0 HE ARG A 58 11.264 -11.462 3.431 1.00 74.31 H new ATOM 0 HH11 ARG A 58 8.515 -10.264 5.293 1.00 20.22 H new ATOM 0 HH12 ARG A 58 9.464 -9.016 6.109 1.00 20.22 H new ATOM 0 HH21 ARG A 58 12.476 -9.858 4.482 1.00 11.31 H new ATOM 0 HH22 ARG A 58 11.697 -8.788 5.652 1.00 11.31 H new ATOM 843 N PHE A 59 7.667 -17.034 6.627 1.00 63.22 N ATOM 844 CA PHE A 59 6.499 -17.760 7.112 1.00 1.52 C ATOM 845 C PHE A 59 6.820 -18.505 8.404 1.00 21.32 C ATOM 846 O PHE A 59 7.926 -19.015 8.581 1.00 42.13 O ATOM 847 CB PHE A 59 6.006 -18.745 6.050 1.00 4.23 C ATOM 848 CG PHE A 59 5.376 -18.078 4.861 1.00 72.50 C ATOM 849 CD1 PHE A 59 5.749 -18.431 3.574 1.00 32.11 C ATOM 850 CD2 PHE A 59 4.410 -17.099 5.030 1.00 24.01 C ATOM 851 CE1 PHE A 59 5.170 -17.820 2.477 1.00 22.24 C ATOM 852 CE2 PHE A 59 3.828 -16.485 3.937 1.00 21.14 C ATOM 853 CZ PHE A 59 4.209 -16.845 2.660 1.00 63.24 C ATOM 0 H PHE A 59 8.551 -17.528 6.750 1.00 63.22 H new ATOM 0 HA PHE A 59 5.711 -17.035 7.317 1.00 1.52 H new ATOM 0 HB2 PHE A 59 6.845 -19.354 5.713 1.00 4.23 H new ATOM 0 HB3 PHE A 59 5.282 -19.423 6.502 1.00 4.23 H new ATOM 0 HD1 PHE A 59 6.501 -19.192 3.426 1.00 32.11 H new ATOM 0 HD2 PHE A 59 4.109 -16.813 6.027 1.00 24.01 H new ATOM 0 HE1 PHE A 59 5.469 -18.105 1.479 1.00 22.24 H new ATOM 0 HE2 PHE A 59 3.076 -15.724 4.082 1.00 21.14 H new ATOM 0 HZ PHE A 59 3.756 -16.365 1.805 1.00 63.24 H new ATOM 863 N ALA A 60 5.844 -18.564 9.305 1.00 63.05 N ATOM 864 CA ALA A 60 6.021 -19.248 10.579 1.00 24.04 C ATOM 865 C ALA A 60 6.010 -20.762 10.396 1.00 0.15 C ATOM 866 O ALA A 60 4.965 -21.358 10.140 1.00 31.13 O ATOM 867 CB ALA A 60 4.938 -18.825 11.560 1.00 0.24 C ATOM 0 H ALA A 60 4.923 -18.146 9.175 1.00 63.05 H new ATOM 0 HA ALA A 60 6.993 -18.965 10.983 1.00 24.04 H new ATOM 0 HB1 ALA A 60 5.083 -19.344 12.508 1.00 0.24 H new ATOM 0 HB2 ALA A 60 4.995 -17.749 11.723 1.00 0.24 H new ATOM 0 HB3 ALA A 60 3.959 -19.079 11.153 1.00 0.24 H new ATOM 873 N GLY A 61 7.181 -21.378 10.529 1.00 34.42 N ATOM 874 CA GLY A 61 7.283 -22.818 10.374 1.00 12.32 C ATOM 875 C GLY A 61 8.359 -23.219 9.386 1.00 62.55 C ATOM 876 O GLY A 61 8.530 -24.402 9.089 1.00 35.32 O ATOM 0 H GLY A 61 8.060 -20.906 10.741 1.00 34.42 H new ATOM 0 HA2 GLY A 61 7.496 -23.270 11.342 1.00 12.32 H new ATOM 0 HA3 GLY A 61 6.323 -23.214 10.042 1.00 12.32 H new ATOM 880 N TYR A 62 9.087 -22.234 8.872 1.00 14.55 N ATOM 881 CA TYR A 62 10.150 -22.490 7.908 1.00 55.11 C ATOM 882 C TYR A 62 9.598 -23.163 6.655 1.00 35.10 C ATOM 883 O TYR A 62 10.232 -24.047 6.079 1.00 63.40 O ATOM 884 CB TYR A 62 11.235 -23.366 8.535 1.00 64.02 C ATOM 885 CG TYR A 62 11.437 -23.116 10.012 1.00 1.13 C ATOM 886 CD1 TYR A 62 11.649 -21.831 10.497 1.00 44.15 C ATOM 887 CD2 TYR A 62 11.416 -24.164 10.924 1.00 64.22 C ATOM 888 CE1 TYR A 62 11.835 -21.598 11.845 1.00 10.55 C ATOM 889 CE2 TYR A 62 11.600 -23.940 12.275 1.00 75.05 C ATOM 890 CZ TYR A 62 11.809 -22.655 12.730 1.00 34.14 C ATOM 891 OH TYR A 62 11.993 -22.428 14.075 1.00 11.21 O ATOM 0 H TYR A 62 8.960 -21.250 9.107 1.00 14.55 H new ATOM 0 HA TYR A 62 10.586 -21.533 7.622 1.00 55.11 H new ATOM 0 HB2 TYR A 62 10.976 -24.414 8.385 1.00 64.02 H new ATOM 0 HB3 TYR A 62 12.176 -23.193 8.014 1.00 64.02 H new ATOM 0 HD1 TYR A 62 11.669 -21.000 9.807 1.00 44.15 H new ATOM 0 HD2 TYR A 62 11.253 -25.171 10.571 1.00 64.22 H new ATOM 0 HE1 TYR A 62 12.000 -20.593 12.204 1.00 10.55 H new ATOM 0 HE2 TYR A 62 11.580 -24.766 12.970 1.00 75.05 H new ATOM 0 HH TYR A 62 11.945 -23.278 14.560 1.00 11.21 H new ATOM 901 N THR A 63 8.409 -22.738 6.237 1.00 4.50 N ATOM 902 CA THR A 63 7.770 -23.298 5.053 1.00 12.14 C ATOM 903 C THR A 63 7.361 -22.200 4.078 1.00 61.33 C ATOM 904 O THR A 63 6.675 -21.248 4.450 1.00 24.13 O ATOM 905 CB THR A 63 6.526 -24.127 5.426 1.00 3.11 C ATOM 906 OG1 THR A 63 5.839 -24.540 4.240 1.00 50.44 O ATOM 907 CG2 THR A 63 5.585 -23.323 6.310 1.00 53.22 C ATOM 0 H THR A 63 7.870 -22.008 6.702 1.00 4.50 H new ATOM 0 HA THR A 63 8.502 -23.949 4.576 1.00 12.14 H new ATOM 0 HB THR A 63 6.855 -25.007 5.979 1.00 3.11 H new ATOM 0 HG1 THR A 63 5.051 -25.068 4.486 1.00 50.44 H new ATOM 0 HG21 THR A 63 4.714 -23.929 6.560 1.00 53.22 H new ATOM 0 HG22 THR A 63 6.102 -23.036 7.225 1.00 53.22 H new ATOM 0 HG23 THR A 63 5.263 -22.427 5.779 1.00 53.22 H new ATOM 915 N VAL A 64 7.786 -22.340 2.826 1.00 52.53 N ATOM 916 CA VAL A 64 7.462 -21.360 1.795 1.00 21.13 C ATOM 917 C VAL A 64 7.056 -22.044 0.495 1.00 61.51 C ATOM 918 O VAL A 64 7.441 -23.184 0.233 1.00 65.42 O ATOM 919 CB VAL A 64 8.652 -20.422 1.519 1.00 0.01 C ATOM 920 CG1 VAL A 64 9.772 -21.173 0.814 1.00 13.44 C ATOM 921 CG2 VAL A 64 8.204 -19.222 0.698 1.00 4.02 C ATOM 0 H VAL A 64 8.355 -23.122 2.501 1.00 52.53 H new ATOM 0 HA VAL A 64 6.624 -20.772 2.169 1.00 21.13 H new ATOM 0 HB VAL A 64 9.035 -20.059 2.473 1.00 0.01 H new ATOM 0 HG11 VAL A 64 10.604 -20.494 0.627 1.00 13.44 H new ATOM 0 HG12 VAL A 64 10.110 -21.997 1.443 1.00 13.44 H new ATOM 0 HG13 VAL A 64 9.405 -21.567 -0.134 1.00 13.44 H new ATOM 0 HG21 VAL A 64 9.057 -18.569 0.512 1.00 4.02 H new ATOM 0 HG22 VAL A 64 7.795 -19.564 -0.253 1.00 4.02 H new ATOM 0 HG23 VAL A 64 7.439 -18.672 1.246 1.00 4.02 H new ATOM 931 N THR A 65 6.275 -21.341 -0.319 1.00 12.11 N ATOM 932 CA THR A 65 5.815 -21.880 -1.593 1.00 23.15 C ATOM 933 C THR A 65 6.879 -21.721 -2.673 1.00 11.21 C ATOM 934 O THR A 65 7.534 -22.688 -3.058 1.00 24.31 O ATOM 935 CB THR A 65 4.519 -21.192 -2.059 1.00 52.41 C ATOM 936 OG1 THR A 65 4.282 -20.014 -1.280 1.00 41.52 O ATOM 937 CG2 THR A 65 3.331 -22.134 -1.936 1.00 61.10 C ATOM 0 H THR A 65 5.947 -20.396 -0.118 1.00 12.11 H new ATOM 0 HA THR A 65 5.617 -22.940 -1.435 1.00 23.15 H new ATOM 0 HB THR A 65 4.637 -20.917 -3.107 1.00 52.41 H new ATOM 0 HG1 THR A 65 3.457 -19.581 -1.584 1.00 41.52 H new ATOM 0 HG21 THR A 65 2.427 -21.625 -2.271 1.00 61.10 H new ATOM 0 HG22 THR A 65 3.501 -23.016 -2.553 1.00 61.10 H new ATOM 0 HG23 THR A 65 3.213 -22.436 -0.895 1.00 61.10 H new ATOM 945 N GLU A 66 7.045 -20.494 -3.157 1.00 51.02 N ATOM 946 CA GLU A 66 8.030 -20.210 -4.194 1.00 0.40 C ATOM 947 C GLU A 66 8.363 -18.721 -4.234 1.00 41.13 C ATOM 948 O GLU A 66 7.992 -17.965 -3.335 1.00 71.41 O ATOM 949 CB GLU A 66 7.512 -20.665 -5.560 1.00 13.42 C ATOM 950 CG GLU A 66 6.340 -19.843 -6.071 1.00 32.24 C ATOM 951 CD GLU A 66 5.203 -20.705 -6.583 1.00 73.34 C ATOM 952 OE1 GLU A 66 4.115 -20.679 -5.969 1.00 45.12 O ATOM 953 OE2 GLU A 66 5.400 -21.406 -7.598 1.00 35.11 O ATOM 0 H GLU A 66 6.511 -19.682 -2.848 1.00 51.02 H new ATOM 0 HA GLU A 66 8.939 -20.762 -3.957 1.00 0.40 H new ATOM 0 HB2 GLU A 66 8.325 -20.612 -6.284 1.00 13.42 H new ATOM 0 HB3 GLU A 66 7.211 -21.711 -5.495 1.00 13.42 H new ATOM 0 HG2 GLU A 66 5.973 -19.203 -5.269 1.00 32.24 H new ATOM 0 HG3 GLU A 66 6.683 -19.187 -6.871 1.00 32.24 H new ATOM 960 N LEU A 67 9.066 -18.306 -5.283 1.00 32.33 N ATOM 961 CA LEU A 67 9.450 -16.908 -5.441 1.00 64.14 C ATOM 962 C LEU A 67 8.234 -15.994 -5.337 1.00 1.41 C ATOM 963 O LEU A 67 8.312 -14.904 -4.771 1.00 55.40 O ATOM 964 CB LEU A 67 10.145 -16.700 -6.788 1.00 42.51 C ATOM 965 CG LEU A 67 9.304 -16.996 -8.030 1.00 64.53 C ATOM 966 CD1 LEU A 67 8.604 -15.736 -8.514 1.00 74.52 C ATOM 967 CD2 LEU A 67 10.172 -17.584 -9.134 1.00 3.51 C ATOM 0 H LEU A 67 9.381 -18.918 -6.036 1.00 32.33 H new ATOM 0 HA LEU A 67 10.142 -16.653 -4.638 1.00 64.14 H new ATOM 0 HB2 LEU A 67 10.486 -15.666 -6.843 1.00 42.51 H new ATOM 0 HB3 LEU A 67 11.034 -17.330 -6.817 1.00 42.51 H new ATOM 0 HG LEU A 67 8.543 -17.730 -7.764 1.00 64.53 H new ATOM 0 HD11 LEU A 67 8.010 -15.967 -9.399 1.00 74.52 H new ATOM 0 HD12 LEU A 67 7.951 -15.357 -7.727 1.00 74.52 H new ATOM 0 HD13 LEU A 67 9.348 -14.979 -8.763 1.00 74.52 H new ATOM 0 HD21 LEU A 67 9.557 -17.789 -10.010 1.00 3.51 H new ATOM 0 HD22 LEU A 67 10.955 -16.874 -9.398 1.00 3.51 H new ATOM 0 HD23 LEU A 67 10.626 -18.511 -8.785 1.00 3.51 H new ATOM 979 N ALA A 68 7.111 -16.446 -5.885 1.00 30.33 N ATOM 980 CA ALA A 68 5.877 -15.671 -5.849 1.00 42.12 C ATOM 981 C ALA A 68 5.472 -15.349 -4.415 1.00 21.12 C ATOM 982 O ALA A 68 4.929 -14.280 -4.138 1.00 73.14 O ATOM 983 CB ALA A 68 4.761 -16.423 -6.559 1.00 11.30 C ATOM 0 H ALA A 68 7.030 -17.345 -6.359 1.00 30.33 H new ATOM 0 HA ALA A 68 6.053 -14.729 -6.368 1.00 42.12 H new ATOM 0 HB1 ALA A 68 3.845 -15.833 -6.525 1.00 11.30 H new ATOM 0 HB2 ALA A 68 5.042 -16.596 -7.598 1.00 11.30 H new ATOM 0 HB3 ALA A 68 4.595 -17.380 -6.064 1.00 11.30 H new ATOM 989 N ALA A 69 5.740 -16.281 -3.506 1.00 34.10 N ATOM 990 CA ALA A 69 5.404 -16.096 -2.100 1.00 12.52 C ATOM 991 C ALA A 69 6.259 -15.000 -1.471 1.00 74.32 C ATOM 992 O ALA A 69 5.805 -14.277 -0.585 1.00 14.54 O ATOM 993 CB ALA A 69 5.574 -17.402 -1.340 1.00 24.45 C ATOM 0 H ALA A 69 6.189 -17.172 -3.719 1.00 34.10 H new ATOM 0 HA ALA A 69 4.361 -15.787 -2.039 1.00 12.52 H new ATOM 0 HB1 ALA A 69 5.320 -17.248 -0.291 1.00 24.45 H new ATOM 0 HB2 ALA A 69 4.916 -18.159 -1.766 1.00 24.45 H new ATOM 0 HB3 ALA A 69 6.609 -17.736 -1.417 1.00 24.45 H new ATOM 999 N PHE A 70 7.498 -14.884 -1.935 1.00 64.22 N ATOM 1000 CA PHE A 70 8.418 -13.878 -1.417 1.00 14.21 C ATOM 1001 C PHE A 70 8.172 -12.525 -2.079 1.00 5.12 C ATOM 1002 O PHE A 70 8.418 -11.477 -1.483 1.00 61.10 O ATOM 1003 CB PHE A 70 9.866 -14.314 -1.644 1.00 64.32 C ATOM 1004 CG PHE A 70 10.877 -13.346 -1.099 1.00 52.45 C ATOM 1005 CD1 PHE A 70 11.454 -13.552 0.143 1.00 10.31 C ATOM 1006 CD2 PHE A 70 11.249 -12.229 -1.830 1.00 41.30 C ATOM 1007 CE1 PHE A 70 12.384 -12.662 0.647 1.00 24.42 C ATOM 1008 CE2 PHE A 70 12.179 -11.336 -1.331 1.00 62.34 C ATOM 1009 CZ PHE A 70 12.747 -11.553 -0.091 1.00 13.32 C ATOM 0 H PHE A 70 7.889 -15.474 -2.669 1.00 64.22 H new ATOM 0 HA PHE A 70 8.241 -13.777 -0.346 1.00 14.21 H new ATOM 0 HB2 PHE A 70 10.021 -15.288 -1.180 1.00 64.32 H new ATOM 0 HB3 PHE A 70 10.035 -14.440 -2.713 1.00 64.32 H new ATOM 0 HD1 PHE A 70 11.174 -14.418 0.725 1.00 10.31 H new ATOM 0 HD2 PHE A 70 10.808 -12.054 -2.800 1.00 41.30 H new ATOM 0 HE1 PHE A 70 12.826 -12.834 1.617 1.00 24.42 H new ATOM 0 HE2 PHE A 70 12.461 -10.469 -1.910 1.00 62.34 H new ATOM 0 HZ PHE A 70 13.474 -10.857 0.301 1.00 13.32 H new ATOM 1019 N ASN A 71 7.687 -12.557 -3.316 1.00 31.44 N ATOM 1020 CA ASN A 71 7.409 -11.334 -4.060 1.00 22.40 C ATOM 1021 C ASN A 71 6.141 -10.661 -3.546 1.00 15.21 C ATOM 1022 O ASN A 71 6.037 -9.434 -3.531 1.00 44.41 O ATOM 1023 CB ASN A 71 7.268 -11.642 -5.552 1.00 41.22 C ATOM 1024 CG ASN A 71 7.521 -10.424 -6.420 1.00 13.12 C ATOM 1025 OD1 ASN A 71 8.595 -9.824 -6.369 1.00 74.14 O ATOM 1026 ND2 ASN A 71 6.529 -10.053 -7.221 1.00 42.24 N ATOM 0 H ASN A 71 7.478 -13.416 -3.824 1.00 31.44 H new ATOM 0 HA ASN A 71 8.246 -10.651 -3.914 1.00 22.40 H new ATOM 0 HB2 ASN A 71 7.968 -12.431 -5.825 1.00 41.22 H new ATOM 0 HB3 ASN A 71 6.266 -12.023 -5.748 1.00 41.22 H new ATOM 0 HD21 ASN A 71 6.640 -9.240 -7.827 1.00 42.24 H new ATOM 0 HD22 ASN A 71 5.656 -10.581 -7.230 1.00 42.24 H new ATOM 1033 N THR A 72 5.176 -11.472 -3.124 1.00 34.13 N ATOM 1034 CA THR A 72 3.914 -10.956 -2.609 1.00 55.22 C ATOM 1035 C THR A 72 4.091 -10.353 -1.220 1.00 63.04 C ATOM 1036 O THR A 72 3.498 -9.323 -0.899 1.00 20.41 O ATOM 1037 CB THR A 72 2.840 -12.059 -2.544 1.00 42.32 C ATOM 1038 OG1 THR A 72 1.624 -11.528 -2.006 1.00 41.40 O ATOM 1039 CG2 THR A 72 3.313 -13.224 -1.688 1.00 70.24 C ATOM 0 H THR A 72 5.245 -12.490 -3.129 1.00 34.13 H new ATOM 0 HA THR A 72 3.586 -10.179 -3.300 1.00 55.22 H new ATOM 0 HB THR A 72 2.661 -12.421 -3.556 1.00 42.32 H new ATOM 0 HG1 THR A 72 0.946 -12.235 -1.970 1.00 41.40 H new ATOM 0 HG21 THR A 72 2.539 -13.990 -1.657 1.00 70.24 H new ATOM 0 HG22 THR A 72 4.223 -13.645 -2.117 1.00 70.24 H new ATOM 0 HG23 THR A 72 3.517 -12.873 -0.676 1.00 70.24 H new ATOM 1047 N VAL A 73 4.913 -11.001 -0.400 1.00 13.50 N ATOM 1048 CA VAL A 73 5.170 -10.527 0.955 1.00 42.13 C ATOM 1049 C VAL A 73 6.015 -9.258 0.942 1.00 52.21 C ATOM 1050 O VAL A 73 5.758 -8.321 1.698 1.00 43.42 O ATOM 1051 CB VAL A 73 5.887 -11.599 1.797 1.00 13.34 C ATOM 1052 CG1 VAL A 73 4.984 -12.805 2.006 1.00 22.15 C ATOM 1053 CG2 VAL A 73 7.194 -12.009 1.137 1.00 43.20 C ATOM 0 H VAL A 73 5.412 -11.855 -0.650 1.00 13.50 H new ATOM 0 HA VAL A 73 4.201 -10.310 1.404 1.00 42.13 H new ATOM 0 HB VAL A 73 6.118 -11.174 2.774 1.00 13.34 H new ATOM 0 HG11 VAL A 73 5.507 -13.552 2.603 1.00 22.15 H new ATOM 0 HG12 VAL A 73 4.077 -12.495 2.526 1.00 22.15 H new ATOM 0 HG13 VAL A 73 4.719 -13.233 1.039 1.00 22.15 H new ATOM 0 HG21 VAL A 73 7.687 -12.767 1.746 1.00 43.20 H new ATOM 0 HG22 VAL A 73 6.990 -12.416 0.147 1.00 43.20 H new ATOM 0 HG23 VAL A 73 7.844 -11.139 1.045 1.00 43.20 H new ATOM 1063 N VAL A 74 7.024 -9.234 0.077 1.00 2.12 N ATOM 1064 CA VAL A 74 7.907 -8.079 -0.036 1.00 53.10 C ATOM 1065 C VAL A 74 7.168 -6.877 -0.615 1.00 30.43 C ATOM 1066 O VAL A 74 7.414 -5.737 -0.223 1.00 31.01 O ATOM 1067 CB VAL A 74 9.129 -8.391 -0.920 1.00 52.21 C ATOM 1068 CG1 VAL A 74 8.697 -8.658 -2.354 1.00 14.21 C ATOM 1069 CG2 VAL A 74 10.134 -7.250 -0.861 1.00 74.21 C ATOM 0 H VAL A 74 7.250 -10.001 -0.556 1.00 2.12 H new ATOM 0 HA VAL A 74 8.248 -7.841 0.972 1.00 53.10 H new ATOM 0 HB VAL A 74 9.612 -9.291 -0.538 1.00 52.21 H new ATOM 0 HG11 VAL A 74 9.574 -8.876 -2.963 1.00 14.21 H new ATOM 0 HG12 VAL A 74 8.018 -9.510 -2.377 1.00 14.21 H new ATOM 0 HG13 VAL A 74 8.189 -7.779 -2.751 1.00 14.21 H new ATOM 0 HG21 VAL A 74 10.991 -7.487 -1.491 1.00 74.21 H new ATOM 0 HG22 VAL A 74 9.665 -6.333 -1.217 1.00 74.21 H new ATOM 0 HG23 VAL A 74 10.467 -7.112 0.168 1.00 74.21 H new ATOM 1079 N ALA A 75 6.261 -7.141 -1.549 1.00 71.44 N ATOM 1080 CA ALA A 75 5.484 -6.082 -2.181 1.00 32.13 C ATOM 1081 C ALA A 75 4.721 -5.267 -1.142 1.00 2.02 C ATOM 1082 O ALA A 75 4.618 -4.045 -1.251 1.00 71.15 O ATOM 1083 CB ALA A 75 4.522 -6.670 -3.203 1.00 22.34 C ATOM 0 H ALA A 75 6.046 -8.080 -1.885 1.00 71.44 H new ATOM 0 HA ALA A 75 6.176 -5.414 -2.693 1.00 32.13 H new ATOM 0 HB1 ALA A 75 3.949 -5.867 -3.667 1.00 22.34 H new ATOM 0 HB2 ALA A 75 5.086 -7.203 -3.969 1.00 22.34 H new ATOM 0 HB3 ALA A 75 3.842 -7.362 -2.706 1.00 22.34 H new ATOM 1089 N ARG A 76 4.188 -5.951 -0.135 1.00 3.14 N ATOM 1090 CA ARG A 76 3.433 -5.290 0.923 1.00 43.10 C ATOM 1091 C ARG A 76 4.371 -4.622 1.924 1.00 1.32 C ATOM 1092 O ARG A 76 4.021 -3.617 2.544 1.00 53.21 O ATOM 1093 CB ARG A 76 2.535 -6.297 1.643 1.00 13.22 C ATOM 1094 CG ARG A 76 1.171 -6.470 0.994 1.00 44.12 C ATOM 1095 CD ARG A 76 1.297 -6.840 -0.476 1.00 3.22 C ATOM 1096 NE ARG A 76 -0.007 -6.998 -1.114 1.00 23.50 N ATOM 1097 CZ ARG A 76 -0.165 -7.370 -2.379 1.00 73.24 C ATOM 1098 NH1 ARG A 76 0.893 -7.621 -3.138 1.00 10.42 N ATOM 1099 NH2 ARG A 76 -1.385 -7.493 -2.888 1.00 44.43 N ATOM 0 H ARG A 76 4.265 -6.963 -0.029 1.00 3.14 H new ATOM 0 HA ARG A 76 2.811 -4.521 0.465 1.00 43.10 H new ATOM 0 HB2 ARG A 76 3.039 -7.263 1.674 1.00 13.22 H new ATOM 0 HB3 ARG A 76 2.399 -5.976 2.676 1.00 13.22 H new ATOM 0 HG2 ARG A 76 0.613 -7.245 1.519 1.00 44.12 H new ATOM 0 HG3 ARG A 76 0.601 -5.546 1.090 1.00 44.12 H new ATOM 0 HD2 ARG A 76 1.864 -6.069 -0.997 1.00 3.22 H new ATOM 0 HD3 ARG A 76 1.861 -7.768 -0.569 1.00 3.22 H new ATOM 0 HE ARG A 76 -0.842 -6.813 -0.558 1.00 23.50 H new ATOM 0 HH11 ARG A 76 1.832 -7.529 -2.751 1.00 10.42 H new ATOM 0 HH12 ARG A 76 0.768 -7.907 -4.109 1.00 10.42 H new ATOM 0 HH21 ARG A 76 -2.202 -7.302 -2.307 1.00 44.43 H new ATOM 0 HH22 ARG A 76 -1.506 -7.779 -3.860 1.00 44.43 H new ATOM 1113 N HIS A 77 5.564 -5.187 2.078 1.00 44.21 N ATOM 1114 CA HIS A 77 6.553 -4.646 3.004 1.00 50.10 C ATOM 1115 C HIS A 77 7.240 -3.419 2.410 1.00 35.54 C ATOM 1116 O HIS A 77 7.706 -2.543 3.138 1.00 24.44 O ATOM 1117 CB HIS A 77 7.595 -5.710 3.350 1.00 35.33 C ATOM 1118 CG HIS A 77 7.101 -6.738 4.321 1.00 34.03 C ATOM 1119 ND1 HIS A 77 6.519 -6.414 5.529 1.00 74.33 N ATOM 1120 CD2 HIS A 77 7.103 -8.090 4.257 1.00 71.10 C ATOM 1121 CE1 HIS A 77 6.186 -7.523 6.166 1.00 52.32 C ATOM 1122 NE2 HIS A 77 6.529 -8.554 5.415 1.00 3.12 N ATOM 0 H HIS A 77 5.870 -6.019 1.574 1.00 44.21 H new ATOM 0 HA HIS A 77 6.035 -4.346 3.915 1.00 50.10 H new ATOM 0 HB2 HIS A 77 7.911 -6.209 2.434 1.00 35.33 H new ATOM 0 HB3 HIS A 77 8.476 -5.222 3.767 1.00 35.33 H new ATOM 0 HD2 HIS A 77 7.485 -8.692 3.446 1.00 71.10 H new ATOM 0 HE1 HIS A 77 5.714 -7.577 7.136 1.00 52.32 H new ATOM 0 HE2 HIS A 77 6.390 -9.535 5.656 1.00 3.12 H new ATOM 1130 N VAL A 78 7.298 -3.364 1.084 1.00 60.15 N ATOM 1131 CA VAL A 78 7.927 -2.245 0.392 1.00 22.30 C ATOM 1132 C VAL A 78 7.399 -0.912 0.910 1.00 71.24 C ATOM 1133 O VAL A 78 6.286 -0.504 0.579 1.00 14.42 O ATOM 1134 CB VAL A 78 7.693 -2.322 -1.128 1.00 64.25 C ATOM 1135 CG1 VAL A 78 8.137 -1.033 -1.803 1.00 25.20 C ATOM 1136 CG2 VAL A 78 8.421 -3.521 -1.719 1.00 12.40 C ATOM 0 H VAL A 78 6.917 -4.081 0.467 1.00 60.15 H new ATOM 0 HA VAL A 78 8.997 -2.311 0.591 1.00 22.30 H new ATOM 0 HB VAL A 78 6.625 -2.449 -1.308 1.00 64.25 H new ATOM 0 HG11 VAL A 78 7.964 -1.106 -2.877 1.00 25.20 H new ATOM 0 HG12 VAL A 78 7.567 -0.196 -1.400 1.00 25.20 H new ATOM 0 HG13 VAL A 78 9.199 -0.872 -1.617 1.00 25.20 H new ATOM 0 HG21 VAL A 78 8.245 -3.560 -2.794 1.00 12.40 H new ATOM 0 HG22 VAL A 78 9.490 -3.427 -1.530 1.00 12.40 H new ATOM 0 HG23 VAL A 78 8.050 -4.436 -1.257 1.00 12.40 H new ATOM 1146 N ARG A 79 8.205 -0.238 1.723 1.00 44.13 N ATOM 1147 CA ARG A 79 7.819 1.050 2.287 1.00 30.40 C ATOM 1148 C ARG A 79 9.050 1.879 2.642 1.00 34.12 C ATOM 1149 O ARG A 79 10.138 1.352 2.874 1.00 31.11 O ATOM 1150 CB ARG A 79 6.952 0.846 3.531 1.00 71.23 C ATOM 1151 CG ARG A 79 5.501 1.256 3.336 1.00 44.32 C ATOM 1152 CD ARG A 79 5.027 2.173 4.452 1.00 1.15 C ATOM 1153 NE ARG A 79 3.713 1.786 4.957 1.00 35.03 N ATOM 1154 CZ ARG A 79 3.102 2.401 5.964 1.00 32.42 C ATOM 1155 NH1 ARG A 79 3.684 3.426 6.570 1.00 11.13 N ATOM 1156 NH2 ARG A 79 1.906 1.990 6.366 1.00 32.24 N ATOM 0 H ARG A 79 9.130 -0.562 2.006 1.00 44.13 H new ATOM 0 HA ARG A 79 7.243 1.590 1.535 1.00 30.40 H new ATOM 0 HB2 ARG A 79 6.988 -0.204 3.821 1.00 71.23 H new ATOM 0 HB3 ARG A 79 7.375 1.419 4.356 1.00 71.23 H new ATOM 0 HG2 ARG A 79 5.390 1.761 2.377 1.00 44.32 H new ATOM 0 HG3 ARG A 79 4.872 0.367 3.302 1.00 44.32 H new ATOM 0 HD2 ARG A 79 5.749 2.154 5.268 1.00 1.15 H new ATOM 0 HD3 ARG A 79 4.987 3.199 4.086 1.00 1.15 H new ATOM 0 HE ARG A 79 3.238 1.000 4.512 1.00 35.03 H new ATOM 0 HH11 ARG A 79 4.603 3.745 6.264 1.00 11.13 H new ATOM 0 HH12 ARG A 79 3.213 3.896 7.343 1.00 11.13 H new ATOM 0 HH21 ARG A 79 1.455 1.201 5.902 1.00 32.24 H new ATOM 0 HH22 ARG A 79 1.438 2.463 7.139 1.00 32.24 H new ATOM 1170 N PRO A 80 8.875 3.208 2.686 1.00 44.24 N ATOM 1171 CA PRO A 80 9.960 4.138 3.012 1.00 43.53 C ATOM 1172 C PRO A 80 10.382 4.047 4.474 1.00 1.52 C ATOM 1173 O PRO A 80 9.619 4.401 5.373 1.00 3.12 O ATOM 1174 CB PRO A 80 9.352 5.511 2.715 1.00 15.31 C ATOM 1175 CG PRO A 80 7.882 5.315 2.865 1.00 25.44 C ATOM 1176 CD PRO A 80 7.606 3.905 2.420 1.00 13.24 C ATOM 0 HA PRO A 80 10.864 3.925 2.442 1.00 43.53 H new ATOM 0 HB2 PRO A 80 9.723 6.267 3.407 1.00 15.31 H new ATOM 0 HB3 PRO A 80 9.606 5.847 1.710 1.00 15.31 H new ATOM 0 HG2 PRO A 80 7.571 5.466 3.899 1.00 25.44 H new ATOM 0 HG3 PRO A 80 7.329 6.031 2.258 1.00 25.44 H new ATOM 0 HD2 PRO A 80 6.780 3.462 2.977 1.00 13.24 H new ATOM 0 HD3 PRO A 80 7.338 3.862 1.364 1.00 13.24 H new ATOM 1184 N SER A 81 11.602 3.572 4.705 1.00 34.32 N ATOM 1185 CA SER A 81 12.123 3.431 6.060 1.00 44.35 C ATOM 1186 C SER A 81 11.246 2.495 6.885 1.00 2.34 C ATOM 1187 O SER A 81 10.996 2.741 8.065 1.00 24.11 O ATOM 1188 CB SER A 81 12.211 4.799 6.739 1.00 11.04 C ATOM 1189 OG SER A 81 12.573 5.807 5.812 1.00 52.41 O ATOM 0 H SER A 81 12.248 3.278 3.972 1.00 34.32 H new ATOM 0 HA SER A 81 13.122 3.000 5.996 1.00 44.35 H new ATOM 0 HB2 SER A 81 11.251 5.046 7.192 1.00 11.04 H new ATOM 0 HB3 SER A 81 12.944 4.762 7.545 1.00 11.04 H new ATOM 0 HG SER A 81 12.621 6.672 6.271 1.00 52.41 H new ATOM 1195 N ALA A 82 10.781 1.421 6.256 1.00 44.22 N ATOM 1196 CA ALA A 82 9.934 0.447 6.932 1.00 72.35 C ATOM 1197 C ALA A 82 10.731 -0.789 7.333 1.00 22.44 C ATOM 1198 O ALA A 82 11.159 -1.568 6.481 1.00 3.33 O ATOM 1199 CB ALA A 82 8.765 0.056 6.040 1.00 75.02 C ATOM 0 H ALA A 82 10.977 1.204 5.279 1.00 44.22 H new ATOM 0 HA ALA A 82 9.546 0.908 7.841 1.00 72.35 H new ATOM 0 HB1 ALA A 82 8.140 -0.672 6.557 1.00 75.02 H new ATOM 0 HB2 ALA A 82 8.173 0.941 5.807 1.00 75.02 H new ATOM 0 HB3 ALA A 82 9.143 -0.382 5.116 1.00 75.02 H new ATOM 1205 N SER A 83 10.928 -0.963 8.636 1.00 32.34 N ATOM 1206 CA SER A 83 11.678 -2.103 9.151 1.00 42.11 C ATOM 1207 C SER A 83 10.747 -3.271 9.460 1.00 22.33 C ATOM 1208 O SER A 83 9.637 -3.080 9.957 1.00 1.45 O ATOM 1209 CB SER A 83 12.452 -1.705 10.410 1.00 75.15 C ATOM 1210 OG SER A 83 11.713 -0.783 11.192 1.00 33.20 O ATOM 0 H SER A 83 10.579 -0.329 9.355 1.00 32.34 H new ATOM 0 HA SER A 83 12.385 -2.418 8.383 1.00 42.11 H new ATOM 0 HB2 SER A 83 12.673 -2.594 11.001 1.00 75.15 H new ATOM 0 HB3 SER A 83 13.408 -1.264 10.129 1.00 75.15 H new ATOM 0 HG SER A 83 12.228 -0.546 11.991 1.00 33.20 H new ATOM 1216 N ILE A 84 11.208 -4.482 9.163 1.00 51.55 N ATOM 1217 CA ILE A 84 10.418 -5.681 9.410 1.00 72.35 C ATOM 1218 C ILE A 84 11.315 -6.884 9.679 1.00 30.45 C ATOM 1219 O ILE A 84 12.266 -7.157 8.947 1.00 23.53 O ATOM 1220 CB ILE A 84 9.493 -6.001 8.220 1.00 22.21 C ATOM 1221 CG1 ILE A 84 8.560 -7.162 8.570 1.00 54.14 C ATOM 1222 CG2 ILE A 84 10.316 -6.330 6.983 1.00 12.12 C ATOM 1223 CD1 ILE A 84 7.273 -6.724 9.233 1.00 55.44 C ATOM 0 H ILE A 84 12.124 -4.658 8.751 1.00 51.55 H new ATOM 0 HA ILE A 84 9.808 -5.481 10.291 1.00 72.35 H new ATOM 0 HB ILE A 84 8.885 -5.123 8.005 1.00 22.21 H new ATOM 0 HG12 ILE A 84 8.321 -7.713 7.660 1.00 54.14 H new ATOM 0 HG13 ILE A 84 9.084 -7.852 9.232 1.00 54.14 H new ATOM 0 HG21 ILE A 84 9.649 -6.554 6.151 1.00 12.12 H new ATOM 0 HG22 ILE A 84 10.943 -5.476 6.726 1.00 12.12 H new ATOM 0 HG23 ILE A 84 10.947 -7.196 7.185 1.00 12.12 H new ATOM 0 HD11 ILE A 84 6.661 -7.599 9.453 1.00 55.44 H new ATOM 0 HD12 ILE A 84 7.502 -6.199 10.160 1.00 55.44 H new ATOM 0 HD13 ILE A 84 6.728 -6.058 8.564 1.00 55.44 H new ATOM 1235 N PRO A 85 11.006 -7.623 10.755 1.00 32.52 N ATOM 1236 CA PRO A 85 11.770 -8.812 11.146 1.00 45.43 C ATOM 1237 C PRO A 85 11.579 -9.970 10.173 1.00 74.11 C ATOM 1238 O PRO A 85 10.510 -10.579 10.120 1.00 52.33 O ATOM 1239 CB PRO A 85 11.197 -9.167 12.520 1.00 40.31 C ATOM 1240 CG PRO A 85 9.818 -8.602 12.512 1.00 23.33 C ATOM 1241 CD PRO A 85 9.885 -7.357 11.673 1.00 44.52 C ATOM 0 HA PRO A 85 12.843 -8.622 11.153 1.00 45.43 H new ATOM 0 HB2 PRO A 85 11.182 -10.246 12.676 1.00 40.31 H new ATOM 0 HB3 PRO A 85 11.797 -8.737 13.322 1.00 40.31 H new ATOM 0 HG2 PRO A 85 9.107 -9.315 12.096 1.00 23.33 H new ATOM 0 HG3 PRO A 85 9.484 -8.373 13.524 1.00 23.33 H new ATOM 0 HD2 PRO A 85 8.954 -7.187 11.132 1.00 44.52 H new ATOM 0 HD3 PRO A 85 10.066 -6.471 12.282 1.00 44.52 H new ATOM 1249 N VAL A 86 12.621 -10.271 9.405 1.00 50.43 N ATOM 1250 CA VAL A 86 12.567 -11.358 8.435 1.00 44.35 C ATOM 1251 C VAL A 86 13.010 -12.675 9.061 1.00 61.34 C ATOM 1252 O VAL A 86 13.848 -12.696 9.962 1.00 64.31 O ATOM 1253 CB VAL A 86 13.453 -11.061 7.210 1.00 51.23 C ATOM 1254 CG1 VAL A 86 14.925 -11.102 7.592 1.00 74.42 C ATOM 1255 CG2 VAL A 86 13.157 -12.045 6.088 1.00 52.32 C ATOM 0 H VAL A 86 13.513 -9.777 9.436 1.00 50.43 H new ATOM 0 HA VAL A 86 11.529 -11.443 8.112 1.00 44.35 H new ATOM 0 HB VAL A 86 13.224 -10.057 6.852 1.00 51.23 H new ATOM 0 HG11 VAL A 86 15.535 -10.890 6.714 1.00 74.42 H new ATOM 0 HG12 VAL A 86 15.123 -10.354 8.360 1.00 74.42 H new ATOM 0 HG13 VAL A 86 15.174 -12.091 7.976 1.00 74.42 H new ATOM 0 HG21 VAL A 86 13.792 -11.821 5.231 1.00 52.32 H new ATOM 0 HG22 VAL A 86 13.357 -13.060 6.432 1.00 52.32 H new ATOM 0 HG23 VAL A 86 12.110 -11.960 5.797 1.00 52.32 H new ATOM 1265 N VAL A 87 12.441 -13.775 8.576 1.00 4.13 N ATOM 1266 CA VAL A 87 12.778 -15.098 9.087 1.00 23.31 C ATOM 1267 C VAL A 87 13.564 -15.902 8.056 1.00 15.44 C ATOM 1268 O VAL A 87 13.054 -16.220 6.982 1.00 34.30 O ATOM 1269 CB VAL A 87 11.515 -15.886 9.482 1.00 71.04 C ATOM 1270 CG1 VAL A 87 10.510 -15.891 8.340 1.00 40.33 C ATOM 1271 CG2 VAL A 87 11.878 -17.306 9.889 1.00 43.03 C ATOM 0 H VAL A 87 11.745 -13.775 7.830 1.00 4.13 H new ATOM 0 HA VAL A 87 13.395 -14.947 9.973 1.00 23.31 H new ATOM 0 HB VAL A 87 11.054 -15.394 10.338 1.00 71.04 H new ATOM 0 HG11 VAL A 87 9.624 -16.452 8.637 1.00 40.33 H new ATOM 0 HG12 VAL A 87 10.227 -14.866 8.100 1.00 40.33 H new ATOM 0 HG13 VAL A 87 10.958 -16.358 7.463 1.00 40.33 H new ATOM 0 HG21 VAL A 87 10.973 -17.848 10.165 1.00 43.03 H new ATOM 0 HG22 VAL A 87 12.363 -17.811 9.054 1.00 43.03 H new ATOM 0 HG23 VAL A 87 12.558 -17.278 10.740 1.00 43.03 H new ATOM 1281 N PHE A 88 14.808 -16.227 8.391 1.00 52.22 N ATOM 1282 CA PHE A 88 15.665 -16.993 7.494 1.00 60.30 C ATOM 1283 C PHE A 88 16.166 -18.264 8.174 1.00 34.21 C ATOM 1284 O PHE A 88 16.151 -18.372 9.400 1.00 12.13 O ATOM 1285 CB PHE A 88 16.853 -16.143 7.039 1.00 1.02 C ATOM 1286 CG PHE A 88 17.736 -15.693 8.168 1.00 34.54 C ATOM 1287 CD1 PHE A 88 18.959 -16.304 8.395 1.00 54.04 C ATOM 1288 CD2 PHE A 88 17.342 -14.661 9.004 1.00 51.41 C ATOM 1289 CE1 PHE A 88 19.773 -15.892 9.433 1.00 64.54 C ATOM 1290 CE2 PHE A 88 18.153 -14.245 10.043 1.00 15.41 C ATOM 1291 CZ PHE A 88 19.369 -14.862 10.258 1.00 22.15 C ATOM 0 H PHE A 88 15.245 -15.972 9.277 1.00 52.22 H new ATOM 0 HA PHE A 88 15.075 -17.276 6.622 1.00 60.30 H new ATOM 0 HB2 PHE A 88 17.449 -16.716 6.329 1.00 1.02 H new ATOM 0 HB3 PHE A 88 16.480 -15.267 6.508 1.00 1.02 H new ATOM 0 HD1 PHE A 88 19.280 -17.111 7.753 1.00 54.04 H new ATOM 0 HD2 PHE A 88 16.391 -14.176 8.842 1.00 51.41 H new ATOM 0 HE1 PHE A 88 20.724 -16.376 9.598 1.00 64.54 H new ATOM 0 HE2 PHE A 88 17.836 -13.438 10.686 1.00 15.41 H new ATOM 0 HZ PHE A 88 20.003 -14.539 11.070 1.00 22.15 H new ATOM 1301 N SER A 89 16.608 -19.225 7.369 1.00 54.45 N ATOM 1302 CA SER A 89 17.109 -20.490 7.891 1.00 33.32 C ATOM 1303 C SER A 89 18.474 -20.821 7.297 1.00 62.15 C ATOM 1304 O SER A 89 18.766 -20.473 6.152 1.00 2.55 O ATOM 1305 CB SER A 89 16.121 -21.618 7.588 1.00 71.52 C ATOM 1306 OG SER A 89 15.429 -22.019 8.758 1.00 41.01 O ATOM 0 H SER A 89 16.629 -19.151 6.352 1.00 54.45 H new ATOM 0 HA SER A 89 17.217 -20.391 8.971 1.00 33.32 H new ATOM 0 HB2 SER A 89 15.406 -21.287 6.835 1.00 71.52 H new ATOM 0 HB3 SER A 89 16.655 -22.470 7.168 1.00 71.52 H new ATOM 0 HG SER A 89 16.036 -21.979 9.527 1.00 41.01 H new ATOM 1312 N ARG A 90 19.307 -21.496 8.082 1.00 31.12 N ATOM 1313 CA ARG A 90 20.642 -21.873 7.635 1.00 23.51 C ATOM 1314 C ARG A 90 20.797 -23.391 7.605 1.00 73.23 C ATOM 1315 O ARG A 90 21.388 -23.983 8.508 1.00 34.30 O ATOM 1316 CB ARG A 90 21.702 -21.261 8.552 1.00 44.50 C ATOM 1317 CG ARG A 90 23.049 -21.058 7.876 1.00 15.40 C ATOM 1318 CD ARG A 90 23.498 -19.607 7.954 1.00 50.11 C ATOM 1319 NE ARG A 90 24.535 -19.302 6.972 1.00 4.13 N ATOM 1320 CZ ARG A 90 25.117 -18.113 6.864 1.00 44.25 C ATOM 1321 NH1 ARG A 90 24.766 -17.122 7.672 1.00 73.51 N ATOM 1322 NH2 ARG A 90 26.054 -17.913 5.945 1.00 52.40 N ATOM 0 H ARG A 90 19.081 -21.793 9.031 1.00 31.12 H new ATOM 0 HA ARG A 90 20.780 -21.490 6.624 1.00 23.51 H new ATOM 0 HB2 ARG A 90 21.341 -20.300 8.920 1.00 44.50 H new ATOM 0 HB3 ARG A 90 21.835 -21.906 9.421 1.00 44.50 H new ATOM 0 HG2 ARG A 90 23.795 -21.697 8.349 1.00 15.40 H new ATOM 0 HG3 ARG A 90 22.983 -21.364 6.832 1.00 15.40 H new ATOM 0 HD2 ARG A 90 22.641 -18.953 7.792 1.00 50.11 H new ATOM 0 HD3 ARG A 90 23.874 -19.397 8.955 1.00 50.11 H new ATOM 0 HE ARG A 90 24.828 -20.042 6.334 1.00 4.13 H new ATOM 0 HH11 ARG A 90 24.047 -17.271 8.380 1.00 73.51 H new ATOM 0 HH12 ARG A 90 25.215 -16.210 7.586 1.00 73.51 H new ATOM 0 HH21 ARG A 90 26.327 -18.673 5.321 1.00 52.40 H new ATOM 0 HH22 ARG A 90 26.501 -17.000 5.862 1.00 52.40 H new ATOM 1336 N ASP A 91 20.261 -24.014 6.561 1.00 64.23 N ATOM 1337 CA ASP A 91 20.340 -25.463 6.412 1.00 51.20 C ATOM 1338 C ASP A 91 19.626 -26.167 7.562 1.00 55.35 C ATOM 1339 O ASP A 91 20.094 -27.186 8.066 1.00 62.33 O ATOM 1340 CB ASP A 91 21.801 -25.912 6.351 1.00 33.24 C ATOM 1341 CG ASP A 91 22.695 -24.887 5.682 1.00 14.33 C ATOM 1342 OD1 ASP A 91 23.698 -24.478 6.304 1.00 13.20 O ATOM 1343 OD2 ASP A 91 22.392 -24.494 4.536 1.00 14.25 O ATOM 0 H ASP A 91 19.767 -23.539 5.806 1.00 64.23 H new ATOM 0 HA ASP A 91 19.845 -25.735 5.480 1.00 51.20 H new ATOM 0 HB2 ASP A 91 22.163 -26.100 7.362 1.00 33.24 H new ATOM 0 HB3 ASP A 91 21.866 -26.855 5.809 1.00 33.24 H new ATOM 1348 N GLY A 92 18.488 -25.614 7.972 1.00 40.20 N ATOM 1349 CA GLY A 92 17.728 -26.201 9.060 1.00 60.21 C ATOM 1350 C GLY A 92 17.924 -25.462 10.369 1.00 73.31 C ATOM 1351 O GLY A 92 17.554 -25.960 11.432 1.00 21.15 O ATOM 0 H GLY A 92 18.079 -24.770 7.570 1.00 40.20 H new ATOM 0 HA2 GLY A 92 16.669 -26.201 8.801 1.00 60.21 H new ATOM 0 HA3 GLY A 92 18.025 -27.242 9.186 1.00 60.21 H new ATOM 1355 N VAL A 93 18.509 -24.271 10.293 1.00 75.04 N ATOM 1356 CA VAL A 93 18.754 -23.462 11.481 1.00 74.23 C ATOM 1357 C VAL A 93 17.679 -22.394 11.650 1.00 73.50 C ATOM 1358 O VAL A 93 17.170 -21.850 10.670 1.00 15.13 O ATOM 1359 CB VAL A 93 20.134 -22.781 11.421 1.00 53.21 C ATOM 1360 CG1 VAL A 93 20.321 -21.848 12.608 1.00 31.40 C ATOM 1361 CG2 VAL A 93 21.240 -23.823 11.371 1.00 24.35 C ATOM 0 H VAL A 93 18.822 -23.845 9.421 1.00 75.04 H new ATOM 0 HA VAL A 93 18.728 -24.138 12.336 1.00 74.23 H new ATOM 0 HB VAL A 93 20.187 -22.185 10.510 1.00 53.21 H new ATOM 0 HG11 VAL A 93 21.302 -21.376 12.549 1.00 31.40 H new ATOM 0 HG12 VAL A 93 19.547 -21.080 12.593 1.00 31.40 H new ATOM 0 HG13 VAL A 93 20.248 -22.418 13.534 1.00 31.40 H new ATOM 0 HG21 VAL A 93 22.208 -23.324 11.329 1.00 24.35 H new ATOM 0 HG22 VAL A 93 21.192 -24.448 12.263 1.00 24.35 H new ATOM 0 HG23 VAL A 93 21.114 -24.445 10.485 1.00 24.35 H new ATOM 1371 N VAL A 94 17.338 -22.099 12.900 1.00 13.13 N ATOM 1372 CA VAL A 94 16.324 -21.094 13.199 1.00 31.51 C ATOM 1373 C VAL A 94 16.963 -19.786 13.651 1.00 71.13 C ATOM 1374 O VAL A 94 17.565 -19.715 14.721 1.00 23.04 O ATOM 1375 CB VAL A 94 15.354 -21.583 14.291 1.00 23.44 C ATOM 1376 CG1 VAL A 94 14.205 -20.602 14.464 1.00 42.21 C ATOM 1377 CG2 VAL A 94 14.834 -22.973 13.958 1.00 74.22 C ATOM 0 H VAL A 94 17.749 -22.541 13.722 1.00 13.13 H new ATOM 0 HA VAL A 94 15.766 -20.923 12.278 1.00 31.51 H new ATOM 0 HB VAL A 94 15.896 -21.639 15.235 1.00 23.44 H new ATOM 0 HG11 VAL A 94 13.531 -20.965 15.240 1.00 42.21 H new ATOM 0 HG12 VAL A 94 14.599 -19.627 14.752 1.00 42.21 H new ATOM 0 HG13 VAL A 94 13.661 -20.510 13.524 1.00 42.21 H new ATOM 0 HG21 VAL A 94 14.150 -23.303 14.740 1.00 74.22 H new ATOM 0 HG22 VAL A 94 14.308 -22.946 13.004 1.00 74.22 H new ATOM 0 HG23 VAL A 94 15.671 -23.668 13.891 1.00 74.22 H new ATOM 1387 N MET A 95 16.827 -18.752 12.827 1.00 74.11 N ATOM 1388 CA MET A 95 17.390 -17.444 13.143 1.00 74.52 C ATOM 1389 C MET A 95 16.469 -16.326 12.664 1.00 30.34 C ATOM 1390 O MET A 95 15.741 -16.486 11.685 1.00 55.40 O ATOM 1391 CB MET A 95 18.771 -17.292 12.503 1.00 21.24 C ATOM 1392 CG MET A 95 19.623 -16.210 13.147 1.00 54.22 C ATOM 1393 SD MET A 95 20.173 -16.654 14.805 1.00 4.53 S ATOM 1394 CE MET A 95 21.716 -17.486 14.438 1.00 30.52 C ATOM 0 H MET A 95 16.332 -18.794 11.936 1.00 74.11 H new ATOM 0 HA MET A 95 17.489 -17.370 14.226 1.00 74.52 H new ATOM 0 HB2 MET A 95 19.298 -18.244 12.566 1.00 21.24 H new ATOM 0 HB3 MET A 95 18.649 -17.065 11.444 1.00 21.24 H new ATOM 0 HG2 MET A 95 20.493 -16.017 12.519 1.00 54.22 H new ATOM 0 HG3 MET A 95 19.052 -15.283 13.194 1.00 54.22 H new ATOM 0 HE1 MET A 95 22.179 -17.821 15.366 1.00 30.52 H new ATOM 0 HE2 MET A 95 21.522 -18.347 13.798 1.00 30.52 H new ATOM 0 HE3 MET A 95 22.388 -16.797 13.926 1.00 30.52 H new ATOM 1404 N SER A 96 16.507 -15.195 13.362 1.00 72.42 N ATOM 1405 CA SER A 96 15.673 -14.052 13.010 1.00 34.22 C ATOM 1406 C SER A 96 16.442 -12.746 13.181 1.00 53.42 C ATOM 1407 O SER A 96 17.070 -12.513 14.213 1.00 13.42 O ATOM 1408 CB SER A 96 14.410 -14.030 13.874 1.00 70.51 C ATOM 1409 OG SER A 96 14.731 -13.843 15.241 1.00 14.53 O ATOM 0 H SER A 96 17.106 -15.046 14.174 1.00 72.42 H new ATOM 0 HA SER A 96 15.387 -14.151 11.963 1.00 34.22 H new ATOM 0 HB2 SER A 96 13.750 -13.229 13.539 1.00 70.51 H new ATOM 0 HB3 SER A 96 13.864 -14.965 13.750 1.00 70.51 H new ATOM 0 HG SER A 96 15.611 -13.418 15.315 1.00 14.53 H new ATOM 1415 N ALA A 97 16.387 -11.897 12.160 1.00 41.41 N ATOM 1416 CA ALA A 97 17.076 -10.613 12.196 1.00 1.44 C ATOM 1417 C ALA A 97 16.232 -9.518 11.552 1.00 31.14 C ATOM 1418 O ALA A 97 15.587 -9.739 10.527 1.00 53.11 O ATOM 1419 CB ALA A 97 18.426 -10.718 11.502 1.00 31.11 C ATOM 0 H ALA A 97 15.872 -12.075 11.298 1.00 41.41 H new ATOM 0 HA ALA A 97 17.237 -10.345 13.240 1.00 1.44 H new ATOM 0 HB1 ALA A 97 18.929 -9.752 11.537 1.00 31.11 H new ATOM 0 HB2 ALA A 97 19.038 -11.464 12.008 1.00 31.11 H new ATOM 0 HB3 ALA A 97 18.279 -11.013 10.463 1.00 31.11 H new ATOM 1425 N THR A 98 16.240 -8.336 12.161 1.00 54.02 N ATOM 1426 CA THR A 98 15.473 -7.207 11.648 1.00 62.42 C ATOM 1427 C THR A 98 16.241 -6.473 10.555 1.00 72.04 C ATOM 1428 O THR A 98 17.363 -6.015 10.772 1.00 60.00 O ATOM 1429 CB THR A 98 15.121 -6.212 12.769 1.00 15.11 C ATOM 1430 OG1 THR A 98 14.567 -6.912 13.889 1.00 5.54 O ATOM 1431 CG2 THR A 98 14.128 -5.170 12.275 1.00 21.02 C ATOM 0 H THR A 98 16.769 -8.136 13.010 1.00 54.02 H new ATOM 0 HA THR A 98 14.552 -7.613 11.231 1.00 62.42 H new ATOM 0 HB THR A 98 16.036 -5.704 13.074 1.00 15.11 H new ATOM 0 HG1 THR A 98 14.347 -6.273 14.598 1.00 5.54 H new ATOM 0 HG21 THR A 98 13.894 -4.478 13.084 1.00 21.02 H new ATOM 0 HG22 THR A 98 14.563 -4.619 11.441 1.00 21.02 H new ATOM 0 HG23 THR A 98 13.215 -5.665 11.946 1.00 21.02 H new ATOM 1439 N ILE A 99 15.629 -6.364 9.380 1.00 2.31 N ATOM 1440 CA ILE A 99 16.255 -5.683 8.254 1.00 44.22 C ATOM 1441 C ILE A 99 15.483 -4.424 7.874 1.00 2.21 C ATOM 1442 O ILE A 99 14.277 -4.471 7.634 1.00 34.24 O ATOM 1443 CB ILE A 99 16.352 -6.603 7.023 1.00 61.04 C ATOM 1444 CG1 ILE A 99 14.956 -7.041 6.575 1.00 10.30 C ATOM 1445 CG2 ILE A 99 17.219 -7.814 7.333 1.00 34.24 C ATOM 1446 CD1 ILE A 99 14.440 -6.279 5.375 1.00 54.42 C ATOM 0 H ILE A 99 14.701 -6.739 9.184 1.00 2.31 H new ATOM 0 HA ILE A 99 17.261 -5.407 8.572 1.00 44.22 H new ATOM 0 HB ILE A 99 16.817 -6.047 6.209 1.00 61.04 H new ATOM 0 HG12 ILE A 99 14.976 -8.105 6.338 1.00 10.30 H new ATOM 0 HG13 ILE A 99 14.260 -6.912 7.404 1.00 10.30 H new ATOM 0 HG21 ILE A 99 17.278 -8.454 6.453 1.00 34.24 H new ATOM 0 HG22 ILE A 99 18.220 -7.484 7.609 1.00 34.24 H new ATOM 0 HG23 ILE A 99 16.781 -8.373 8.160 1.00 34.24 H new ATOM 0 HD11 ILE A 99 13.446 -6.642 5.113 1.00 54.42 H new ATOM 0 HD12 ILE A 99 14.387 -5.217 5.614 1.00 54.42 H new ATOM 0 HD13 ILE A 99 15.114 -6.428 4.532 1.00 54.42 H new ATOM 1458 N VAL A 100 16.188 -3.298 7.819 1.00 13.15 N ATOM 1459 CA VAL A 100 15.569 -2.026 7.466 1.00 45.32 C ATOM 1460 C VAL A 100 15.595 -1.803 5.958 1.00 55.02 C ATOM 1461 O VAL A 100 16.660 -1.651 5.359 1.00 15.34 O ATOM 1462 CB VAL A 100 16.276 -0.846 8.160 1.00 62.13 C ATOM 1463 CG1 VAL A 100 15.598 0.468 7.803 1.00 35.42 C ATOM 1464 CG2 VAL A 100 16.300 -1.052 9.667 1.00 51.23 C ATOM 0 H VAL A 100 17.188 -3.241 8.014 1.00 13.15 H new ATOM 0 HA VAL A 100 14.535 -2.072 7.807 1.00 45.32 H new ATOM 0 HB VAL A 100 17.306 -0.803 7.806 1.00 62.13 H new ATOM 0 HG11 VAL A 100 16.111 1.290 8.302 1.00 35.42 H new ATOM 0 HG12 VAL A 100 15.639 0.617 6.724 1.00 35.42 H new ATOM 0 HG13 VAL A 100 14.557 0.440 8.126 1.00 35.42 H new ATOM 0 HG21 VAL A 100 16.803 -0.209 10.141 1.00 51.23 H new ATOM 0 HG22 VAL A 100 15.279 -1.122 10.041 1.00 51.23 H new ATOM 0 HG23 VAL A 100 16.836 -1.972 9.900 1.00 51.23 H new ATOM 1474 N VAL A 101 14.413 -1.785 5.348 1.00 4.41 N ATOM 1475 CA VAL A 101 14.299 -1.579 3.909 1.00 11.33 C ATOM 1476 C VAL A 101 14.133 -0.100 3.577 1.00 5.02 C ATOM 1477 O VAL A 101 13.306 0.591 4.170 1.00 41.33 O ATOM 1478 CB VAL A 101 13.109 -2.361 3.323 1.00 31.42 C ATOM 1479 CG1 VAL A 101 13.123 -2.297 1.804 1.00 43.44 C ATOM 1480 CG2 VAL A 101 13.133 -3.805 3.804 1.00 55.43 C ATOM 0 H VAL A 101 13.522 -1.911 5.828 1.00 4.41 H new ATOM 0 HA VAL A 101 15.222 -1.948 3.462 1.00 11.33 H new ATOM 0 HB VAL A 101 12.186 -1.900 3.673 1.00 31.42 H new ATOM 0 HG11 VAL A 101 12.275 -2.855 1.408 1.00 43.44 H new ATOM 0 HG12 VAL A 101 13.055 -1.258 1.483 1.00 43.44 H new ATOM 0 HG13 VAL A 101 14.050 -2.732 1.430 1.00 43.44 H new ATOM 0 HG21 VAL A 101 12.285 -4.344 3.381 1.00 55.43 H new ATOM 0 HG22 VAL A 101 14.061 -4.280 3.484 1.00 55.43 H new ATOM 0 HG23 VAL A 101 13.070 -3.827 4.892 1.00 55.43 H new ATOM 1490 N GLY A 102 14.927 0.379 2.624 1.00 1.51 N ATOM 1491 CA GLY A 102 14.853 1.774 2.229 1.00 72.22 C ATOM 1492 C GLY A 102 14.487 1.944 0.768 1.00 63.55 C ATOM 1493 O GLY A 102 15.279 1.621 -0.118 1.00 34.02 O ATOM 0 H GLY A 102 15.620 -0.174 2.119 1.00 1.51 H new ATOM 0 HA2 GLY A 102 14.115 2.285 2.847 1.00 72.22 H new ATOM 0 HA3 GLY A 102 15.814 2.253 2.418 1.00 72.22 H new ATOM 1497 N GLU A 103 13.284 2.450 0.515 1.00 62.31 N ATOM 1498 CA GLU A 103 12.815 2.659 -0.850 1.00 24.41 C ATOM 1499 C GLU A 103 13.314 3.992 -1.398 1.00 41.53 C ATOM 1500 O GLU A 103 13.483 4.155 -2.608 1.00 4.45 O ATOM 1501 CB GLU A 103 11.287 2.614 -0.900 1.00 73.42 C ATOM 1502 CG GLU A 103 10.722 1.206 -0.993 1.00 10.12 C ATOM 1503 CD GLU A 103 11.545 0.195 -0.218 1.00 41.12 C ATOM 1504 OE1 GLU A 103 11.625 0.322 1.022 1.00 65.33 O ATOM 1505 OE2 GLU A 103 12.109 -0.722 -0.851 1.00 54.22 O ATOM 0 H GLU A 103 12.617 2.723 1.237 1.00 62.31 H new ATOM 0 HA GLU A 103 13.215 1.858 -1.471 1.00 24.41 H new ATOM 0 HB2 GLU A 103 10.888 3.098 -0.009 1.00 73.42 H new ATOM 0 HB3 GLU A 103 10.943 3.192 -1.758 1.00 73.42 H new ATOM 0 HG2 GLU A 103 9.700 1.203 -0.615 1.00 10.12 H new ATOM 0 HG3 GLU A 103 10.676 0.905 -2.040 1.00 10.12 H new