USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 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 35 SER OG : rot -124:sc= 1.23 USER MOD Set 1.2: A 36 ASN : amide:sc= -3.51! K(o=-2.3!,f=-0.88) USER MOD Set 2.1: A 24 SER OG : rot -56:sc= 1.22 USER MOD Set 2.2: A 55 GLN : amide:sc= -0.109 K(o=1.1,f=-7.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0176 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 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -131:sc= 0.568 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 26 GLN : amide:sc= -2.91 X(o=-2.9,f=-3.3!) USER MOD Single : A 29 THR OG1 : rot 140:sc= -0.09 USER MOD Single : A 30 GLN : amide:sc= -1.91! K(o=-1.9!,f=-2.7) USER MOD Single : A 31 THR OG1 : rot 160:sc= -0.589 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 119:sc= 0.931 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 63 THR OG1 : rot 60:sc=-0.00463 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.057) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 77 HIS : no HE2:sc= -2.35! C(o=-2.3!,f=-4.9!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.166 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -51:sc= 1.33 USER MOD Single : A 95 MET CE :methyl -129:sc= 0 (180deg=-0.0435) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.719 1.179 -0.202 1.00 32.24 N ATOM 2 CA PRO A 1 2.441 1.089 -1.474 1.00 74.23 C ATOM 3 C PRO A 1 2.083 -0.171 -2.256 1.00 23.04 C ATOM 4 O PRO A 1 1.287 -0.992 -1.799 1.00 31.32 O ATOM 5 CB PRO A 1 3.910 1.054 -1.047 1.00 1.20 C ATOM 6 CG PRO A 1 3.889 0.505 0.338 1.00 61.24 C ATOM 7 CD PRO A 1 2.608 0.991 0.957 1.00 42.51 C ATOM 0 H2 PRO A 1 0.982 0.474 -0.181 1.00 32.24 H new ATOM 0 H3 PRO A 1 1.264 2.089 -0.135 1.00 32.24 H new ATOM 0 HA PRO A 1 2.197 1.916 -2.141 1.00 74.23 H new ATOM 0 HB2 PRO A 1 4.501 0.425 -1.713 1.00 1.20 H new ATOM 0 HB3 PRO A 1 4.353 2.050 -1.072 1.00 1.20 H new ATOM 0 HG2 PRO A 1 3.928 -0.584 0.327 1.00 61.24 H new ATOM 0 HG3 PRO A 1 4.753 0.849 0.907 1.00 61.24 H new ATOM 0 HD2 PRO A 1 2.202 0.265 1.662 1.00 42.51 H new ATOM 0 HD3 PRO A 1 2.755 1.921 1.506 1.00 42.51 H new ATOM 15 N LEU A 2 2.677 -0.318 -3.435 1.00 33.31 N ATOM 16 CA LEU A 2 2.421 -1.480 -4.280 1.00 43.52 C ATOM 17 C LEU A 2 3.664 -1.854 -5.081 1.00 23.21 C ATOM 18 O LEU A 2 4.566 -1.036 -5.269 1.00 33.33 O ATOM 19 CB LEU A 2 1.255 -1.198 -5.229 1.00 42.53 C ATOM 20 CG LEU A 2 0.026 -2.093 -5.067 1.00 43.21 C ATOM 21 CD1 LEU A 2 0.424 -3.560 -5.119 1.00 50.22 C ATOM 22 CD2 LEU A 2 -0.694 -1.779 -3.764 1.00 24.44 C ATOM 0 H LEU A 2 3.339 0.352 -3.828 1.00 33.31 H new ATOM 0 HA LEU A 2 2.161 -2.319 -3.634 1.00 43.52 H new ATOM 0 HB2 LEU A 2 0.945 -0.162 -5.094 1.00 42.53 H new ATOM 0 HB3 LEU A 2 1.616 -1.292 -6.253 1.00 42.53 H new ATOM 0 HG LEU A 2 -0.657 -1.894 -5.893 1.00 43.21 H new ATOM 0 HD11 LEU A 2 -0.463 -4.182 -5.002 1.00 50.22 H new ATOM 0 HD12 LEU A 2 0.894 -3.776 -6.078 1.00 50.22 H new ATOM 0 HD13 LEU A 2 1.127 -3.775 -4.314 1.00 50.22 H new ATOM 0 HD21 LEU A 2 -1.566 -2.425 -3.665 1.00 24.44 H new ATOM 0 HD22 LEU A 2 -0.019 -1.950 -2.925 1.00 24.44 H new ATOM 0 HD23 LEU A 2 -1.013 -0.737 -3.767 1.00 24.44 H new ATOM 34 N THR A 3 3.706 -3.096 -5.553 1.00 73.24 N ATOM 35 CA THR A 3 4.837 -3.579 -6.335 1.00 30.41 C ATOM 36 C THR A 3 4.370 -4.243 -7.626 1.00 3.43 C ATOM 37 O THR A 3 3.186 -4.532 -7.793 1.00 35.45 O ATOM 38 CB THR A 3 5.686 -4.584 -5.533 1.00 11.32 C ATOM 39 OG1 THR A 3 6.960 -4.761 -6.163 1.00 34.44 O ATOM 40 CG2 THR A 3 4.977 -5.925 -5.423 1.00 61.23 C ATOM 0 H THR A 3 2.969 -3.786 -5.407 1.00 73.24 H new ATOM 0 HA THR A 3 5.448 -2.709 -6.577 1.00 30.41 H new ATOM 0 HB THR A 3 5.830 -4.185 -4.529 1.00 11.32 H new ATOM 0 HG1 THR A 3 7.494 -5.400 -5.646 1.00 34.44 H new ATOM 0 HG21 THR A 3 5.596 -6.618 -4.853 1.00 61.23 H new ATOM 0 HG22 THR A 3 4.021 -5.791 -4.917 1.00 61.23 H new ATOM 0 HG23 THR A 3 4.805 -6.329 -6.421 1.00 61.23 H new ATOM 48 N ARG A 4 5.309 -4.481 -8.536 1.00 31.01 N ATOM 49 CA ARG A 4 4.993 -5.110 -9.813 1.00 31.25 C ATOM 50 C ARG A 4 5.572 -6.520 -9.882 1.00 31.22 C ATOM 51 O ARG A 4 6.486 -6.880 -9.140 1.00 2.43 O ATOM 52 CB ARG A 4 5.535 -4.267 -10.969 1.00 33.44 C ATOM 53 CG ARG A 4 4.456 -3.523 -11.737 1.00 54.44 C ATOM 54 CD ARG A 4 4.276 -2.106 -11.215 1.00 4.14 C ATOM 55 NE ARG A 4 3.019 -1.945 -10.489 1.00 23.22 N ATOM 56 CZ ARG A 4 1.828 -1.936 -11.076 1.00 32.31 C ATOM 57 NH1 ARG A 4 1.732 -2.079 -12.391 1.00 13.54 N ATOM 58 NH2 ARG A 4 0.729 -1.785 -10.347 1.00 70.34 N ATOM 0 H ARG A 4 6.294 -4.248 -8.413 1.00 31.01 H new ATOM 0 HA ARG A 4 3.908 -5.176 -9.899 1.00 31.25 H new ATOM 0 HB2 ARG A 4 6.253 -3.546 -10.577 1.00 33.44 H new ATOM 0 HB3 ARG A 4 6.078 -4.915 -11.657 1.00 33.44 H new ATOM 0 HG2 ARG A 4 4.717 -3.492 -12.795 1.00 54.44 H new ATOM 0 HG3 ARG A 4 3.513 -4.064 -11.657 1.00 54.44 H new ATOM 0 HD2 ARG A 4 5.109 -1.853 -10.558 1.00 4.14 H new ATOM 0 HD3 ARG A 4 4.304 -1.406 -12.050 1.00 4.14 H new ATOM 0 HE ARG A 4 3.058 -1.833 -9.476 1.00 23.22 H new ATOM 0 HH11 ARG A 4 2.574 -2.196 -12.954 1.00 13.54 H new ATOM 0 HH12 ARG A 4 0.816 -2.072 -12.839 1.00 13.54 H new ATOM 0 HH21 ARG A 4 0.799 -1.676 -9.335 1.00 70.34 H new ATOM 0 HH22 ARG A 4 -0.186 -1.778 -10.799 1.00 70.34 H new ATOM 72 N PRO A 5 5.028 -7.339 -10.794 1.00 33.51 N ATOM 73 CA PRO A 5 5.474 -8.723 -10.982 1.00 5.11 C ATOM 74 C PRO A 5 6.867 -8.804 -11.597 1.00 5.31 C ATOM 75 O PRO A 5 7.016 -9.093 -12.784 1.00 45.24 O ATOM 76 CB PRO A 5 4.432 -9.305 -11.940 1.00 63.11 C ATOM 77 CG PRO A 5 3.899 -8.128 -12.681 1.00 3.41 C ATOM 78 CD PRO A 5 3.935 -6.978 -11.712 1.00 73.11 C ATOM 0 HA PRO A 5 5.549 -9.259 -10.036 1.00 5.11 H new ATOM 0 HB2 PRO A 5 4.880 -10.030 -12.619 1.00 63.11 H new ATOM 0 HB3 PRO A 5 3.641 -9.823 -11.397 1.00 63.11 H new ATOM 0 HG2 PRO A 5 4.504 -7.915 -13.562 1.00 3.41 H new ATOM 0 HG3 PRO A 5 2.883 -8.313 -13.029 1.00 3.41 H new ATOM 0 HD2 PRO A 5 4.131 -6.032 -12.218 1.00 73.11 H new ATOM 0 HD3 PRO A 5 2.988 -6.867 -11.185 1.00 73.11 H new ATOM 86 N TYR A 6 7.885 -8.547 -10.782 1.00 75.10 N ATOM 87 CA TYR A 6 9.266 -8.589 -11.247 1.00 11.00 C ATOM 88 C TYR A 6 10.095 -9.555 -10.406 1.00 11.55 C ATOM 89 O TYR A 6 10.014 -9.553 -9.176 1.00 51.14 O ATOM 90 CB TYR A 6 9.885 -7.191 -11.198 1.00 61.20 C ATOM 91 CG TYR A 6 9.589 -6.355 -12.422 1.00 45.34 C ATOM 92 CD1 TYR A 6 10.053 -6.735 -13.676 1.00 10.00 C ATOM 93 CD2 TYR A 6 8.848 -5.184 -12.326 1.00 13.02 C ATOM 94 CE1 TYR A 6 9.786 -5.974 -14.797 1.00 50.44 C ATOM 95 CE2 TYR A 6 8.575 -4.417 -13.442 1.00 34.21 C ATOM 96 CZ TYR A 6 9.046 -4.816 -14.675 1.00 40.03 C ATOM 97 OH TYR A 6 8.777 -4.054 -15.789 1.00 64.24 O ATOM 0 H TYR A 6 7.779 -8.307 -9.796 1.00 75.10 H new ATOM 0 HA TYR A 6 9.265 -8.943 -12.278 1.00 11.00 H new ATOM 0 HB2 TYR A 6 9.516 -6.670 -10.315 1.00 61.20 H new ATOM 0 HB3 TYR A 6 10.965 -7.285 -11.085 1.00 61.20 H new ATOM 0 HD1 TYR A 6 10.632 -7.641 -13.775 1.00 10.00 H new ATOM 0 HD2 TYR A 6 8.479 -4.868 -11.362 1.00 13.02 H new ATOM 0 HE1 TYR A 6 10.154 -6.284 -15.764 1.00 50.44 H new ATOM 0 HE2 TYR A 6 7.996 -3.510 -13.349 1.00 34.21 H new ATOM 0 HH TYR A 6 8.244 -3.273 -15.530 1.00 64.24 H new ATOM 107 N LEU A 7 10.893 -10.378 -11.076 1.00 73.12 N ATOM 108 CA LEU A 7 11.739 -11.350 -10.392 1.00 13.21 C ATOM 109 C LEU A 7 13.215 -11.027 -10.598 1.00 42.01 C ATOM 110 O LEU A 7 13.691 -10.946 -11.730 1.00 2.45 O ATOM 111 CB LEU A 7 11.438 -12.762 -10.897 1.00 64.10 C ATOM 112 CG LEU A 7 11.524 -12.966 -12.410 1.00 24.30 C ATOM 113 CD1 LEU A 7 12.492 -14.091 -12.743 1.00 23.24 C ATOM 114 CD2 LEU A 7 10.147 -13.257 -12.988 1.00 41.01 C ATOM 0 H LEU A 7 10.972 -10.392 -12.093 1.00 73.12 H new ATOM 0 HA LEU A 7 11.521 -11.298 -9.325 1.00 13.21 H new ATOM 0 HB2 LEU A 7 12.131 -13.453 -10.417 1.00 64.10 H new ATOM 0 HB3 LEU A 7 10.435 -13.037 -10.570 1.00 64.10 H new ATOM 0 HG LEU A 7 11.898 -12.047 -12.860 1.00 24.30 H new ATOM 0 HD11 LEU A 7 12.540 -14.222 -13.824 1.00 23.24 H new ATOM 0 HD12 LEU A 7 13.483 -13.843 -12.363 1.00 23.24 H new ATOM 0 HD13 LEU A 7 12.148 -15.016 -12.281 1.00 23.24 H new ATOM 0 HD21 LEU A 7 10.227 -13.399 -14.066 1.00 41.01 H new ATOM 0 HD22 LEU A 7 9.744 -14.161 -12.532 1.00 41.01 H new ATOM 0 HD23 LEU A 7 9.481 -12.419 -12.781 1.00 41.01 H new ATOM 126 N GLY A 8 13.936 -10.846 -9.495 1.00 51.04 N ATOM 127 CA GLY A 8 15.351 -10.536 -9.577 1.00 23.42 C ATOM 128 C GLY A 8 16.202 -11.497 -8.770 1.00 63.35 C ATOM 129 O GLY A 8 17.301 -11.151 -8.336 1.00 41.33 O ATOM 0 H GLY A 8 13.565 -10.909 -8.547 1.00 51.04 H new ATOM 0 HA2 GLY A 8 15.666 -10.564 -10.620 1.00 23.42 H new ATOM 0 HA3 GLY A 8 15.519 -9.520 -9.221 1.00 23.42 H new ATOM 133 N PHE A 9 15.694 -12.708 -8.568 1.00 31.24 N ATOM 134 CA PHE A 9 16.414 -13.722 -7.805 1.00 53.33 C ATOM 135 C PHE A 9 15.908 -15.120 -8.147 1.00 31.34 C ATOM 136 O PHE A 9 14.855 -15.277 -8.764 1.00 73.44 O ATOM 137 CB PHE A 9 16.262 -13.465 -6.305 1.00 4.44 C ATOM 138 CG PHE A 9 14.869 -13.695 -5.794 1.00 54.15 C ATOM 139 CD1 PHE A 9 14.592 -14.759 -4.951 1.00 42.03 C ATOM 140 CD2 PHE A 9 13.835 -12.847 -6.159 1.00 34.43 C ATOM 141 CE1 PHE A 9 13.311 -14.974 -4.480 1.00 12.42 C ATOM 142 CE2 PHE A 9 12.551 -13.057 -5.690 1.00 4.20 C ATOM 143 CZ PHE A 9 12.289 -14.122 -4.851 1.00 11.24 C ATOM 0 H PHE A 9 14.787 -13.012 -8.922 1.00 31.24 H new ATOM 0 HA PHE A 9 17.469 -13.661 -8.072 1.00 53.33 H new ATOM 0 HB2 PHE A 9 16.951 -14.113 -5.762 1.00 4.44 H new ATOM 0 HB3 PHE A 9 16.554 -12.437 -6.089 1.00 4.44 H new ATOM 0 HD1 PHE A 9 15.387 -15.429 -4.658 1.00 42.03 H new ATOM 0 HD2 PHE A 9 14.034 -12.014 -6.816 1.00 34.43 H new ATOM 0 HE1 PHE A 9 13.109 -15.807 -3.823 1.00 12.42 H new ATOM 0 HE2 PHE A 9 11.754 -12.388 -5.980 1.00 4.20 H new ATOM 0 HZ PHE A 9 11.287 -14.289 -4.485 1.00 11.24 H new ATOM 153 N ARG A 10 16.667 -16.133 -7.740 1.00 53.13 N ATOM 154 CA ARG A 10 16.297 -17.518 -8.004 1.00 62.32 C ATOM 155 C ARG A 10 15.983 -18.254 -6.705 1.00 20.11 C ATOM 156 O ARG A 10 16.503 -17.910 -5.643 1.00 74.31 O ATOM 157 CB ARG A 10 17.424 -18.236 -8.749 1.00 41.15 C ATOM 158 CG ARG A 10 17.579 -17.791 -10.195 1.00 13.35 C ATOM 159 CD ARG A 10 18.016 -18.941 -11.088 1.00 4.30 C ATOM 160 NE ARG A 10 18.636 -18.469 -12.324 1.00 13.24 N ATOM 161 CZ ARG A 10 19.122 -19.278 -13.257 1.00 63.55 C ATOM 162 NH1 ARG A 10 19.061 -20.593 -13.097 1.00 65.21 N ATOM 163 NH2 ARG A 10 19.671 -18.773 -14.355 1.00 71.30 N ATOM 0 H ARG A 10 17.541 -16.020 -7.227 1.00 53.13 H new ATOM 0 HA ARG A 10 15.402 -17.516 -8.626 1.00 62.32 H new ATOM 0 HB2 ARG A 10 18.363 -18.065 -8.222 1.00 41.15 H new ATOM 0 HB3 ARG A 10 17.237 -19.310 -8.726 1.00 41.15 H new ATOM 0 HG2 ARG A 10 16.633 -17.388 -10.556 1.00 13.35 H new ATOM 0 HG3 ARG A 10 18.311 -16.986 -10.252 1.00 13.35 H new ATOM 0 HD2 ARG A 10 18.721 -19.572 -10.547 1.00 4.30 H new ATOM 0 HD3 ARG A 10 17.153 -19.561 -11.329 1.00 4.30 H new ATOM 0 HE ARG A 10 18.699 -17.463 -12.478 1.00 13.24 H new ATOM 0 HH11 ARG A 10 18.640 -20.985 -12.255 1.00 65.21 H new ATOM 0 HH12 ARG A 10 19.435 -21.212 -13.816 1.00 65.21 H new ATOM 0 HH21 ARG A 10 19.720 -17.762 -14.482 1.00 71.30 H new ATOM 0 HH22 ARG A 10 20.044 -19.396 -15.071 1.00 71.30 H new ATOM 177 N VAL A 11 15.129 -19.268 -6.797 1.00 33.42 N ATOM 178 CA VAL A 11 14.745 -20.053 -5.629 1.00 64.35 C ATOM 179 C VAL A 11 14.772 -21.546 -5.938 1.00 71.01 C ATOM 180 O VAL A 11 14.090 -22.014 -6.849 1.00 71.02 O ATOM 181 CB VAL A 11 13.340 -19.668 -5.131 1.00 72.20 C ATOM 182 CG1 VAL A 11 13.374 -18.322 -4.423 1.00 24.41 C ATOM 183 CG2 VAL A 11 12.352 -19.646 -6.288 1.00 3.11 C ATOM 0 H VAL A 11 14.690 -19.566 -7.668 1.00 33.42 H new ATOM 0 HA VAL A 11 15.472 -19.833 -4.847 1.00 64.35 H new ATOM 0 HB VAL A 11 13.009 -20.420 -4.415 1.00 72.20 H new ATOM 0 HG11 VAL A 11 12.372 -18.067 -4.078 1.00 24.41 H new ATOM 0 HG12 VAL A 11 14.049 -18.377 -3.569 1.00 24.41 H new ATOM 0 HG13 VAL A 11 13.726 -17.556 -5.114 1.00 24.41 H new ATOM 0 HG21 VAL A 11 11.364 -19.372 -5.918 1.00 3.11 H new ATOM 0 HG22 VAL A 11 12.677 -18.916 -7.030 1.00 3.11 H new ATOM 0 HG23 VAL A 11 12.306 -20.634 -6.746 1.00 3.11 H new ATOM 193 N ALA A 12 15.564 -22.289 -5.172 1.00 70.11 N ATOM 194 CA ALA A 12 15.678 -23.730 -5.362 1.00 14.22 C ATOM 195 C ALA A 12 15.064 -24.488 -4.189 1.00 43.05 C ATOM 196 O ALA A 12 15.472 -24.311 -3.041 1.00 54.13 O ATOM 197 CB ALA A 12 17.136 -24.125 -5.543 1.00 53.24 C ATOM 0 H ALA A 12 16.136 -21.917 -4.414 1.00 70.11 H new ATOM 0 HA ALA A 12 15.126 -23.998 -6.263 1.00 14.22 H new ATOM 0 HB1 ALA A 12 17.206 -25.204 -5.684 1.00 53.24 H new ATOM 0 HB2 ALA A 12 17.545 -23.618 -6.417 1.00 53.24 H new ATOM 0 HB3 ALA A 12 17.704 -23.837 -4.658 1.00 53.24 H new ATOM 203 N VAL A 13 14.082 -25.333 -4.486 1.00 70.01 N ATOM 204 CA VAL A 13 13.412 -26.119 -3.456 1.00 45.34 C ATOM 205 C VAL A 13 14.238 -27.342 -3.075 1.00 22.21 C ATOM 206 O VAL A 13 14.566 -28.172 -3.922 1.00 43.52 O ATOM 207 CB VAL A 13 12.017 -26.579 -3.920 1.00 4.33 C ATOM 208 CG1 VAL A 13 12.116 -27.347 -5.229 1.00 53.40 C ATOM 209 CG2 VAL A 13 11.351 -27.424 -2.845 1.00 25.32 C ATOM 0 H VAL A 13 13.733 -25.491 -5.431 1.00 70.01 H new ATOM 0 HA VAL A 13 13.302 -25.473 -2.585 1.00 45.34 H new ATOM 0 HB VAL A 13 11.400 -25.697 -4.091 1.00 4.33 H new ATOM 0 HG11 VAL A 13 11.121 -27.664 -5.541 1.00 53.40 H new ATOM 0 HG12 VAL A 13 12.549 -26.705 -5.996 1.00 53.40 H new ATOM 0 HG13 VAL A 13 12.749 -28.224 -5.090 1.00 53.40 H new ATOM 0 HG21 VAL A 13 10.366 -27.741 -3.189 1.00 25.32 H new ATOM 0 HG22 VAL A 13 11.964 -28.302 -2.641 1.00 25.32 H new ATOM 0 HG23 VAL A 13 11.245 -26.836 -1.934 1.00 25.32 H new ATOM 219 N GLY A 14 14.571 -27.448 -1.792 1.00 20.31 N ATOM 220 CA GLY A 14 15.356 -28.574 -1.320 1.00 33.12 C ATOM 221 C GLY A 14 15.023 -28.954 0.109 1.00 0.04 C ATOM 222 O GLY A 14 13.932 -28.661 0.599 1.00 72.44 O ATOM 0 H GLY A 14 14.311 -26.774 -1.071 1.00 20.31 H new ATOM 0 HA2 GLY A 14 15.183 -29.431 -1.970 1.00 33.12 H new ATOM 0 HA3 GLY A 14 16.416 -28.329 -1.390 1.00 33.12 H new ATOM 226 N ARG A 15 15.965 -29.609 0.780 1.00 12.15 N ATOM 227 CA ARG A 15 15.765 -30.032 2.161 1.00 31.03 C ATOM 228 C ARG A 15 16.972 -29.669 3.021 1.00 31.13 C ATOM 229 O ARG A 15 18.118 -29.828 2.599 1.00 14.24 O ATOM 230 CB ARG A 15 15.515 -31.540 2.224 1.00 65.01 C ATOM 231 CG ARG A 15 14.541 -32.040 1.170 1.00 20.52 C ATOM 232 CD ARG A 15 13.163 -31.421 1.346 1.00 5.13 C ATOM 233 NE ARG A 15 12.128 -32.433 1.537 1.00 23.32 N ATOM 234 CZ ARG A 15 11.706 -33.244 0.573 1.00 44.21 C ATOM 235 NH1 ARG A 15 12.229 -33.161 -0.643 1.00 35.11 N ATOM 236 NH2 ARG A 15 10.760 -34.140 0.824 1.00 4.33 N ATOM 0 H ARG A 15 16.874 -29.858 0.390 1.00 12.15 H new ATOM 0 HA ARG A 15 14.892 -29.509 2.552 1.00 31.03 H new ATOM 0 HB2 ARG A 15 16.464 -32.062 2.106 1.00 65.01 H new ATOM 0 HB3 ARG A 15 15.131 -31.795 3.212 1.00 65.01 H new ATOM 0 HG2 ARG A 15 14.924 -31.802 0.177 1.00 20.52 H new ATOM 0 HG3 ARG A 15 14.464 -33.126 1.230 1.00 20.52 H new ATOM 0 HD2 ARG A 15 13.175 -30.748 2.204 1.00 5.13 H new ATOM 0 HD3 ARG A 15 12.922 -30.817 0.471 1.00 5.13 H new ATOM 0 HE ARG A 15 11.706 -32.522 2.461 1.00 23.32 H new ATOM 0 HH11 ARG A 15 12.957 -32.474 -0.839 1.00 35.11 H new ATOM 0 HH12 ARG A 15 11.904 -33.785 -1.382 1.00 35.11 H new ATOM 0 HH21 ARG A 15 10.356 -34.207 1.758 1.00 4.33 H new ATOM 0 HH22 ARG A 15 10.437 -34.762 0.083 1.00 4.33 H new ATOM 250 N ASP A 16 16.707 -29.181 4.228 1.00 34.20 N ATOM 251 CA ASP A 16 17.771 -28.796 5.148 1.00 74.10 C ATOM 252 C ASP A 16 18.027 -29.896 6.174 1.00 53.04 C ATOM 253 O ASP A 16 17.421 -30.966 6.116 1.00 52.14 O ATOM 254 CB ASP A 16 17.411 -27.491 5.860 1.00 33.32 C ATOM 255 CG ASP A 16 15.964 -27.459 6.313 1.00 41.31 C ATOM 256 OD1 ASP A 16 15.075 -27.313 5.448 1.00 14.13 O ATOM 257 OD2 ASP A 16 15.722 -27.580 7.532 1.00 55.03 O ATOM 0 H ASP A 16 15.764 -29.043 4.592 1.00 34.20 H new ATOM 0 HA ASP A 16 18.682 -28.645 4.569 1.00 74.10 H new ATOM 0 HB2 ASP A 16 18.062 -27.360 6.724 1.00 33.32 H new ATOM 0 HB3 ASP A 16 17.598 -26.652 5.190 1.00 33.32 H new ATOM 262 N SER A 17 18.929 -29.625 7.111 1.00 21.32 N ATOM 263 CA SER A 17 19.269 -30.594 8.147 1.00 43.30 C ATOM 264 C SER A 17 18.062 -30.889 9.032 1.00 23.11 C ATOM 265 O SER A 17 17.956 -31.967 9.617 1.00 44.00 O ATOM 266 CB SER A 17 20.427 -30.073 9.001 1.00 61.20 C ATOM 267 OG SER A 17 21.188 -31.143 9.534 1.00 5.23 O ATOM 0 H SER A 17 19.438 -28.743 7.175 1.00 21.32 H new ATOM 0 HA SER A 17 19.574 -31.520 7.659 1.00 43.30 H new ATOM 0 HB2 SER A 17 21.069 -29.431 8.397 1.00 61.20 H new ATOM 0 HB3 SER A 17 20.037 -29.460 9.813 1.00 61.20 H new ATOM 0 HG SER A 17 21.923 -30.784 10.074 1.00 5.23 H new ATOM 273 N SER A 18 17.154 -29.923 9.125 1.00 1.01 N ATOM 274 CA SER A 18 15.956 -30.076 9.942 1.00 74.55 C ATOM 275 C SER A 18 14.869 -30.825 9.176 1.00 53.54 C ATOM 276 O SER A 18 14.262 -31.761 9.693 1.00 71.42 O ATOM 277 CB SER A 18 15.434 -28.707 10.382 1.00 24.34 C ATOM 278 OG SER A 18 14.031 -28.616 10.209 1.00 31.03 O ATOM 0 H SER A 18 17.225 -29.026 8.645 1.00 1.01 H new ATOM 0 HA SER A 18 16.220 -30.657 10.826 1.00 74.55 H new ATOM 0 HB2 SER A 18 15.686 -28.538 11.429 1.00 24.34 H new ATOM 0 HB3 SER A 18 15.926 -27.924 9.805 1.00 24.34 H new ATOM 0 HG SER A 18 13.722 -27.732 10.499 1.00 31.03 H new ATOM 284 N GLY A 19 14.628 -30.402 7.938 1.00 64.42 N ATOM 285 CA GLY A 19 13.615 -31.042 7.119 1.00 31.35 C ATOM 286 C GLY A 19 12.256 -30.385 7.260 1.00 22.34 C ATOM 287 O GLY A 19 11.269 -31.049 7.579 1.00 13.45 O ATOM 0 H GLY A 19 15.116 -29.628 7.488 1.00 64.42 H new ATOM 0 HA2 GLY A 19 13.924 -31.011 6.074 1.00 31.35 H new ATOM 0 HA3 GLY A 19 13.538 -32.093 7.397 1.00 31.35 H new ATOM 291 N CYS A 20 12.205 -29.079 7.024 1.00 21.21 N ATOM 292 CA CYS A 20 10.957 -28.331 7.129 1.00 21.50 C ATOM 293 C CYS A 20 10.514 -27.818 5.763 1.00 44.03 C ATOM 294 O CYS A 20 9.602 -26.997 5.661 1.00 60.10 O ATOM 295 CB CYS A 20 11.120 -27.160 8.099 1.00 31.52 C ATOM 296 SG CYS A 20 10.368 -27.435 9.721 1.00 65.34 S ATOM 0 H CYS A 20 13.013 -28.516 6.759 1.00 21.21 H new ATOM 0 HA CYS A 20 10.189 -29.005 7.510 1.00 21.50 H new ATOM 0 HB2 CYS A 20 12.183 -26.958 8.233 1.00 31.52 H new ATOM 0 HB3 CYS A 20 10.680 -26.268 7.653 1.00 31.52 H new ATOM 0 HG CYS A 20 9.645 -26.404 10.045 1.00 65.34 H new ATOM 302 N THR A 21 11.168 -28.306 4.713 1.00 41.43 N ATOM 303 CA THR A 21 10.845 -27.894 3.353 1.00 75.34 C ATOM 304 C THR A 21 10.945 -26.381 3.197 1.00 33.21 C ATOM 305 O THR A 21 9.981 -25.655 3.446 1.00 65.31 O ATOM 306 CB THR A 21 9.428 -28.348 2.951 1.00 43.45 C ATOM 307 OG1 THR A 21 9.113 -29.592 3.585 1.00 5.14 O ATOM 308 CG2 THR A 21 9.317 -28.500 1.441 1.00 21.21 C ATOM 0 H THR A 21 11.924 -28.987 4.779 1.00 41.43 H new ATOM 0 HA THR A 21 11.572 -28.372 2.697 1.00 75.34 H new ATOM 0 HB THR A 21 8.720 -27.586 3.277 1.00 43.45 H new ATOM 0 HG1 THR A 21 8.210 -29.872 3.325 1.00 5.14 H new ATOM 0 HG21 THR A 21 8.308 -28.821 1.181 1.00 21.21 H new ATOM 0 HG22 THR A 21 9.528 -27.544 0.963 1.00 21.21 H new ATOM 0 HG23 THR A 21 10.035 -29.244 1.096 1.00 21.21 H new ATOM 316 N THR A 22 12.117 -25.910 2.783 1.00 11.31 N ATOM 317 CA THR A 22 12.343 -24.482 2.595 1.00 61.33 C ATOM 318 C THR A 22 13.186 -24.218 1.352 1.00 33.42 C ATOM 319 O THR A 22 13.917 -25.094 0.888 1.00 22.10 O ATOM 320 CB THR A 22 13.042 -23.858 3.817 1.00 20.12 C ATOM 321 OG1 THR A 22 13.537 -22.556 3.487 1.00 51.34 O ATOM 322 CG2 THR A 22 14.190 -24.737 4.292 1.00 53.15 C ATOM 0 H THR A 22 12.924 -26.496 2.571 1.00 11.31 H new ATOM 0 HA THR A 22 11.363 -24.021 2.471 1.00 61.33 H new ATOM 0 HB THR A 22 12.312 -23.775 4.622 1.00 20.12 H new ATOM 0 HG1 THR A 22 13.979 -22.166 4.270 1.00 51.34 H new ATOM 0 HG21 THR A 22 14.668 -24.275 5.156 1.00 53.15 H new ATOM 0 HG22 THR A 22 13.806 -25.718 4.571 1.00 53.15 H new ATOM 0 HG23 THR A 22 14.919 -24.848 3.490 1.00 53.15 H new ATOM 330 N LEU A 23 13.080 -23.007 0.818 1.00 73.05 N ATOM 331 CA LEU A 23 13.833 -22.627 -0.372 1.00 64.13 C ATOM 332 C LEU A 23 15.001 -21.715 -0.009 1.00 71.11 C ATOM 333 O LEU A 23 14.984 -21.051 1.027 1.00 31.23 O ATOM 334 CB LEU A 23 12.918 -21.927 -1.378 1.00 10.20 C ATOM 335 CG LEU A 23 11.993 -22.835 -2.189 1.00 51.20 C ATOM 336 CD1 LEU A 23 10.944 -23.469 -1.289 1.00 11.01 C ATOM 337 CD2 LEU A 23 11.331 -22.053 -3.314 1.00 74.12 C ATOM 0 H LEU A 23 12.480 -22.271 1.190 1.00 73.05 H new ATOM 0 HA LEU A 23 14.232 -23.535 -0.824 1.00 64.13 H new ATOM 0 HB2 LEU A 23 12.304 -21.205 -0.839 1.00 10.20 H new ATOM 0 HB3 LEU A 23 13.540 -21.362 -2.072 1.00 10.20 H new ATOM 0 HG LEU A 23 12.592 -23.631 -2.630 1.00 51.20 H new ATOM 0 HD11 LEU A 23 10.295 -24.112 -1.884 1.00 11.01 H new ATOM 0 HD12 LEU A 23 11.436 -24.063 -0.519 1.00 11.01 H new ATOM 0 HD13 LEU A 23 10.348 -22.687 -0.818 1.00 11.01 H new ATOM 0 HD21 LEU A 23 10.676 -22.715 -3.881 1.00 74.12 H new ATOM 0 HD22 LEU A 23 10.745 -21.236 -2.893 1.00 74.12 H new ATOM 0 HD23 LEU A 23 12.097 -21.647 -3.975 1.00 74.12 H new ATOM 349 N SER A 24 16.013 -21.686 -0.870 1.00 72.35 N ATOM 350 CA SER A 24 17.190 -20.857 -0.640 1.00 13.32 C ATOM 351 C SER A 24 17.361 -19.833 -1.758 1.00 75.22 C ATOM 352 O SER A 24 16.958 -20.070 -2.898 1.00 1.14 O ATOM 353 CB SER A 24 18.442 -21.729 -0.536 1.00 2.04 C ATOM 354 OG SER A 24 18.104 -23.074 -0.243 1.00 3.33 O ATOM 0 H SER A 24 16.041 -22.228 -1.734 1.00 72.35 H new ATOM 0 HA SER A 24 17.049 -20.323 0.300 1.00 13.32 H new ATOM 0 HB2 SER A 24 18.998 -21.686 -1.473 1.00 2.04 H new ATOM 0 HB3 SER A 24 19.098 -21.338 0.242 1.00 2.04 H new ATOM 0 HG SER A 24 17.574 -23.106 0.581 1.00 3.33 H new ATOM 360 N ILE A 25 17.960 -18.695 -1.424 1.00 31.42 N ATOM 361 CA ILE A 25 18.185 -17.636 -2.399 1.00 43.01 C ATOM 362 C ILE A 25 19.592 -17.717 -2.983 1.00 55.33 C ATOM 363 O ILE A 25 20.570 -17.867 -2.252 1.00 13.11 O ATOM 364 CB ILE A 25 17.980 -16.243 -1.775 1.00 20.12 C ATOM 365 CG1 ILE A 25 16.736 -16.237 -0.885 1.00 34.53 C ATOM 366 CG2 ILE A 25 17.864 -15.187 -2.863 1.00 40.35 C ATOM 367 CD1 ILE A 25 15.470 -16.633 -1.613 1.00 10.41 C ATOM 0 H ILE A 25 18.298 -18.483 -0.485 1.00 31.42 H new ATOM 0 HA ILE A 25 17.454 -17.779 -3.195 1.00 43.01 H new ATOM 0 HB ILE A 25 18.847 -16.007 -1.158 1.00 20.12 H new ATOM 0 HG12 ILE A 25 16.894 -16.919 -0.050 1.00 34.53 H new ATOM 0 HG13 ILE A 25 16.606 -15.241 -0.463 1.00 34.53 H new ATOM 0 HG21 ILE A 25 17.719 -14.208 -2.406 1.00 40.35 H new ATOM 0 HG22 ILE A 25 18.776 -15.178 -3.460 1.00 40.35 H new ATOM 0 HG23 ILE A 25 17.013 -15.417 -3.504 1.00 40.35 H new ATOM 0 HD11 ILE A 25 14.629 -16.607 -0.920 1.00 10.41 H new ATOM 0 HD12 ILE A 25 15.288 -15.937 -2.432 1.00 10.41 H new ATOM 0 HD13 ILE A 25 15.580 -17.641 -2.012 1.00 10.41 H new ATOM 379 N GLN A 26 19.684 -17.614 -4.305 1.00 70.12 N ATOM 380 CA GLN A 26 20.971 -17.674 -4.987 1.00 62.45 C ATOM 381 C GLN A 26 21.405 -16.289 -5.455 1.00 71.02 C ATOM 382 O GLN A 26 22.577 -16.064 -5.754 1.00 41.10 O ATOM 383 CB GLN A 26 20.896 -18.628 -6.181 1.00 35.10 C ATOM 384 CG GLN A 26 20.284 -19.978 -5.843 1.00 72.12 C ATOM 385 CD GLN A 26 19.047 -20.281 -6.666 1.00 11.42 C ATOM 386 OE1 GLN A 26 19.119 -20.425 -7.887 1.00 0.44 O ATOM 387 NE2 GLN A 26 17.902 -20.379 -6.000 1.00 22.01 N ATOM 0 H GLN A 26 18.883 -17.489 -4.924 1.00 70.12 H new ATOM 0 HA GLN A 26 21.711 -18.047 -4.279 1.00 62.45 H new ATOM 0 HB2 GLN A 26 20.310 -18.161 -6.973 1.00 35.10 H new ATOM 0 HB3 GLN A 26 21.900 -18.782 -6.576 1.00 35.10 H new ATOM 0 HG2 GLN A 26 21.025 -20.760 -6.007 1.00 72.12 H new ATOM 0 HG3 GLN A 26 20.026 -20.001 -4.784 1.00 72.12 H new ATOM 0 HE21 GLN A 26 17.888 -20.252 -4.988 1.00 22.01 H new ATOM 0 HE22 GLN A 26 17.037 -20.581 -6.501 1.00 22.01 H new ATOM 396 N GLU A 27 20.451 -15.365 -5.516 1.00 42.12 N ATOM 397 CA GLU A 27 20.736 -14.002 -5.949 1.00 52.20 C ATOM 398 C GLU A 27 20.243 -12.990 -4.919 1.00 13.31 C ATOM 399 O GLU A 27 19.873 -13.353 -3.802 1.00 74.35 O ATOM 400 CB GLU A 27 20.082 -13.726 -7.305 1.00 34.45 C ATOM 401 CG GLU A 27 20.989 -12.998 -8.282 1.00 0.05 C ATOM 402 CD GLU A 27 20.309 -11.810 -8.934 1.00 64.04 C ATOM 403 OE1 GLU A 27 19.346 -12.025 -9.700 1.00 64.41 O ATOM 404 OE2 GLU A 27 20.740 -10.666 -8.680 1.00 50.13 O ATOM 0 H GLU A 27 19.476 -15.535 -5.271 1.00 42.12 H new ATOM 0 HA GLU A 27 21.817 -13.898 -6.047 1.00 52.20 H new ATOM 0 HB2 GLU A 27 19.770 -14.672 -7.748 1.00 34.45 H new ATOM 0 HB3 GLU A 27 19.180 -13.134 -7.150 1.00 34.45 H new ATOM 0 HG2 GLU A 27 21.883 -12.658 -7.758 1.00 0.05 H new ATOM 0 HG3 GLU A 27 21.317 -13.693 -9.055 1.00 0.05 H new ATOM 411 N VAL A 28 20.241 -11.717 -5.302 1.00 41.12 N ATOM 412 CA VAL A 28 19.794 -10.651 -4.413 1.00 75.34 C ATOM 413 C VAL A 28 18.495 -10.028 -4.913 1.00 41.01 C ATOM 414 O VAL A 28 18.357 -9.719 -6.097 1.00 55.31 O ATOM 415 CB VAL A 28 20.860 -9.549 -4.277 1.00 44.33 C ATOM 416 CG1 VAL A 28 20.496 -8.588 -3.156 1.00 34.01 C ATOM 417 CG2 VAL A 28 22.232 -10.162 -4.040 1.00 43.21 C ATOM 0 H VAL A 28 20.544 -11.399 -6.222 1.00 41.12 H new ATOM 0 HA VAL A 28 19.625 -11.104 -3.436 1.00 75.34 H new ATOM 0 HB VAL A 28 20.895 -8.985 -5.209 1.00 44.33 H new ATOM 0 HG11 VAL A 28 21.262 -7.816 -3.075 1.00 34.01 H new ATOM 0 HG12 VAL A 28 19.534 -8.124 -3.373 1.00 34.01 H new ATOM 0 HG13 VAL A 28 20.431 -9.134 -2.215 1.00 34.01 H new ATOM 0 HG21 VAL A 28 22.974 -9.369 -3.946 1.00 43.21 H new ATOM 0 HG22 VAL A 28 22.214 -10.752 -3.124 1.00 43.21 H new ATOM 0 HG23 VAL A 28 22.493 -10.805 -4.880 1.00 43.21 H new ATOM 427 N THR A 29 17.544 -9.845 -4.002 1.00 51.04 N ATOM 428 CA THR A 29 16.256 -9.259 -4.350 1.00 54.00 C ATOM 429 C THR A 29 16.047 -7.928 -3.637 1.00 13.00 C ATOM 430 O THR A 29 15.265 -7.090 -4.085 1.00 71.04 O ATOM 431 CB THR A 29 15.094 -10.206 -3.996 1.00 33.13 C ATOM 432 OG1 THR A 29 13.864 -9.688 -4.514 1.00 14.42 O ATOM 433 CG2 THR A 29 14.980 -10.384 -2.489 1.00 45.21 C ATOM 0 H THR A 29 17.642 -10.094 -3.018 1.00 51.04 H new ATOM 0 HA THR A 29 16.265 -9.094 -5.427 1.00 54.00 H new ATOM 0 HB THR A 29 15.297 -11.178 -4.447 1.00 33.13 H new ATOM 0 HG1 THR A 29 13.325 -10.423 -4.873 1.00 14.42 H new ATOM 0 HG21 THR A 29 14.153 -11.057 -2.264 1.00 45.21 H new ATOM 0 HG22 THR A 29 15.907 -10.806 -2.101 1.00 45.21 H new ATOM 0 HG23 THR A 29 14.799 -9.416 -2.021 1.00 45.21 H new ATOM 441 N GLN A 30 16.751 -7.740 -2.525 1.00 72.54 N ATOM 442 CA GLN A 30 16.641 -6.510 -1.751 1.00 4.11 C ATOM 443 C GLN A 30 17.361 -5.361 -2.449 1.00 64.24 C ATOM 444 O GLN A 30 17.285 -4.211 -2.016 1.00 52.24 O ATOM 445 CB GLN A 30 17.219 -6.712 -0.349 1.00 13.12 C ATOM 446 CG GLN A 30 16.616 -7.894 0.393 1.00 53.10 C ATOM 447 CD GLN A 30 15.255 -7.580 0.983 1.00 2.25 C ATOM 448 OE1 GLN A 30 14.679 -6.524 0.719 1.00 64.13 O ATOM 449 NE2 GLN A 30 14.733 -8.497 1.789 1.00 60.41 N ATOM 0 H GLN A 30 17.403 -8.424 -2.141 1.00 72.54 H new ATOM 0 HA GLN A 30 15.584 -6.256 -1.668 1.00 4.11 H new ATOM 0 HB2 GLN A 30 18.297 -6.854 -0.426 1.00 13.12 H new ATOM 0 HB3 GLN A 30 17.058 -5.806 0.235 1.00 13.12 H new ATOM 0 HG2 GLN A 30 16.526 -8.739 -0.290 1.00 53.10 H new ATOM 0 HG3 GLN A 30 17.292 -8.200 1.191 1.00 53.10 H new ATOM 0 HE21 GLN A 30 15.245 -9.358 1.981 1.00 60.41 H new ATOM 0 HE22 GLN A 30 13.820 -8.340 2.216 1.00 60.41 H new ATOM 458 N THR A 31 18.062 -5.680 -3.533 1.00 60.14 N ATOM 459 CA THR A 31 18.797 -4.675 -4.291 1.00 61.42 C ATOM 460 C THR A 31 17.975 -4.164 -5.468 1.00 54.22 C ATOM 461 O THR A 31 18.515 -3.581 -6.409 1.00 14.44 O ATOM 462 CB THR A 31 20.133 -5.235 -4.817 1.00 54.53 C ATOM 463 OG1 THR A 31 19.974 -6.606 -5.196 1.00 61.32 O ATOM 464 CG2 THR A 31 21.222 -5.117 -3.762 1.00 33.34 C ATOM 0 H THR A 31 18.136 -6.627 -3.905 1.00 60.14 H new ATOM 0 HA THR A 31 19.000 -3.850 -3.608 1.00 61.42 H new ATOM 0 HB THR A 31 20.429 -4.650 -5.688 1.00 54.53 H new ATOM 0 HG1 THR A 31 20.695 -6.862 -5.808 1.00 61.32 H new ATOM 0 HG21 THR A 31 22.155 -5.519 -4.156 1.00 33.34 H new ATOM 0 HG22 THR A 31 21.361 -4.069 -3.498 1.00 33.34 H new ATOM 0 HG23 THR A 31 20.931 -5.679 -2.875 1.00 33.34 H new ATOM 472 N TYR A 32 16.666 -4.385 -5.410 1.00 22.00 N ATOM 473 CA TYR A 32 15.769 -3.947 -6.473 1.00 30.42 C ATOM 474 C TYR A 32 14.708 -2.994 -5.932 1.00 1.31 C ATOM 475 O TYR A 32 14.240 -3.141 -4.802 1.00 63.23 O ATOM 476 CB TYR A 32 15.098 -5.154 -7.131 1.00 51.14 C ATOM 477 CG TYR A 32 15.911 -5.763 -8.251 1.00 42.44 C ATOM 478 CD1 TYR A 32 15.926 -5.188 -9.517 1.00 21.44 C ATOM 479 CD2 TYR A 32 16.664 -6.912 -8.045 1.00 32.01 C ATOM 480 CE1 TYR A 32 16.667 -5.741 -10.543 1.00 60.23 C ATOM 481 CE2 TYR A 32 17.409 -7.471 -9.065 1.00 52.11 C ATOM 482 CZ TYR A 32 17.407 -6.882 -10.312 1.00 61.14 C ATOM 483 OH TYR A 32 18.147 -7.437 -11.332 1.00 12.53 O ATOM 0 H TYR A 32 16.203 -4.865 -4.638 1.00 22.00 H new ATOM 0 HA TYR A 32 16.361 -3.417 -7.219 1.00 30.42 H new ATOM 0 HB2 TYR A 32 14.913 -5.915 -6.372 1.00 51.14 H new ATOM 0 HB3 TYR A 32 14.127 -4.851 -7.522 1.00 51.14 H new ATOM 0 HD1 TYR A 32 15.349 -4.294 -9.701 1.00 21.44 H new ATOM 0 HD2 TYR A 32 16.667 -7.376 -7.070 1.00 32.01 H new ATOM 0 HE1 TYR A 32 16.667 -5.283 -11.521 1.00 60.23 H new ATOM 0 HE2 TYR A 32 17.990 -8.364 -8.887 1.00 52.11 H new ATOM 0 HH TYR A 32 18.610 -8.236 -11.003 1.00 12.53 H new ATOM 493 N THR A 33 14.331 -2.014 -6.748 1.00 4.23 N ATOM 494 CA THR A 33 13.327 -1.035 -6.353 1.00 54.42 C ATOM 495 C THR A 33 12.766 -0.303 -7.567 1.00 54.11 C ATOM 496 O THR A 33 13.353 -0.332 -8.648 1.00 11.23 O ATOM 497 CB THR A 33 13.905 -0.002 -5.368 1.00 1.14 C ATOM 498 OG1 THR A 33 15.244 -0.362 -5.011 1.00 23.04 O ATOM 499 CG2 THR A 33 13.048 0.089 -4.114 1.00 51.32 C ATOM 0 H THR A 33 14.706 -1.878 -7.687 1.00 4.23 H new ATOM 0 HA THR A 33 12.526 -1.586 -5.861 1.00 54.42 H new ATOM 0 HB THR A 33 13.909 0.972 -5.858 1.00 1.14 H new ATOM 0 HG1 THR A 33 15.858 0.352 -5.282 1.00 23.04 H new ATOM 0 HG21 THR A 33 13.476 0.825 -3.433 1.00 51.32 H new ATOM 0 HG22 THR A 33 12.037 0.391 -4.386 1.00 51.32 H new ATOM 0 HG23 THR A 33 13.017 -0.884 -3.623 1.00 51.32 H new ATOM 507 N GLY A 34 11.625 0.354 -7.381 1.00 55.04 N ATOM 508 CA GLY A 34 11.004 1.085 -8.471 1.00 34.15 C ATOM 509 C GLY A 34 9.621 1.593 -8.114 1.00 10.54 C ATOM 510 O GLY A 34 9.159 2.594 -8.662 1.00 64.03 O ATOM 0 H GLY A 34 11.120 0.393 -6.496 1.00 55.04 H new ATOM 0 HA2 GLY A 34 11.638 1.928 -8.747 1.00 34.15 H new ATOM 0 HA3 GLY A 34 10.936 0.438 -9.346 1.00 34.15 H new ATOM 514 N SER A 35 8.957 0.902 -7.192 1.00 44.15 N ATOM 515 CA SER A 35 7.617 1.286 -6.767 1.00 14.41 C ATOM 516 C SER A 35 7.624 1.774 -5.321 1.00 45.24 C ATOM 517 O SER A 35 8.117 1.089 -4.426 1.00 72.23 O ATOM 518 CB SER A 35 6.654 0.106 -6.914 1.00 2.24 C ATOM 519 OG SER A 35 5.333 0.553 -7.165 1.00 43.51 O ATOM 0 H SER A 35 9.326 0.073 -6.726 1.00 44.15 H new ATOM 0 HA SER A 35 7.280 2.102 -7.406 1.00 14.41 H new ATOM 0 HB2 SER A 35 6.984 -0.537 -7.729 1.00 2.24 H new ATOM 0 HB3 SER A 35 6.671 -0.496 -6.006 1.00 2.24 H new ATOM 0 HG SER A 35 4.729 0.189 -6.484 1.00 43.51 H new ATOM 525 N ASN A 36 7.075 2.964 -5.102 1.00 53.31 N ATOM 526 CA ASN A 36 7.018 3.546 -3.766 1.00 23.42 C ATOM 527 C ASN A 36 8.393 3.522 -3.104 1.00 33.23 C ATOM 528 O ASN A 36 8.512 3.267 -1.906 1.00 61.21 O ATOM 529 CB ASN A 36 6.009 2.789 -2.900 1.00 25.52 C ATOM 530 CG ASN A 36 4.593 2.900 -3.431 1.00 23.21 C ATOM 531 OD1 ASN A 36 3.789 3.684 -2.927 1.00 22.25 O ATOM 532 ND2 ASN A 36 4.282 2.113 -4.454 1.00 71.03 N ATOM 0 H ASN A 36 6.663 3.544 -5.833 1.00 53.31 H new ATOM 0 HA ASN A 36 6.698 4.584 -3.861 1.00 23.42 H new ATOM 0 HB2 ASN A 36 6.294 1.738 -2.850 1.00 25.52 H new ATOM 0 HB3 ASN A 36 6.044 3.178 -1.882 1.00 25.52 H new ATOM 0 HD21 ASN A 36 3.344 2.143 -4.854 1.00 71.03 H new ATOM 0 HD22 ASN A 36 4.981 1.478 -4.840 1.00 71.03 H new ATOM 539 N GLY A 37 9.429 3.790 -3.893 1.00 13.11 N ATOM 540 CA GLY A 37 10.781 3.795 -3.366 1.00 71.21 C ATOM 541 C GLY A 37 11.727 4.630 -4.205 1.00 41.42 C ATOM 542 O GLY A 37 12.113 5.730 -3.810 1.00 35.32 O ATOM 0 H GLY A 37 9.356 4.004 -4.888 1.00 13.11 H new ATOM 0 HA2 GLY A 37 10.769 4.180 -2.346 1.00 71.21 H new ATOM 0 HA3 GLY A 37 11.152 2.771 -3.316 1.00 71.21 H new ATOM 546 N GLY A 38 12.104 4.107 -5.368 1.00 23.22 N ATOM 547 CA GLY A 38 13.010 4.825 -6.246 1.00 32.33 C ATOM 548 C GLY A 38 13.435 3.997 -7.442 1.00 64.11 C ATOM 549 O GLY A 38 12.882 4.139 -8.532 1.00 33.51 O ATOM 0 H GLY A 38 11.798 3.199 -5.718 1.00 23.22 H new ATOM 0 HA2 GLY A 38 12.527 5.738 -6.593 1.00 32.33 H new ATOM 0 HA3 GLY A 38 13.894 5.126 -5.684 1.00 32.33 H new ATOM 553 N ALA A 39 14.423 3.131 -7.239 1.00 41.14 N ATOM 554 CA ALA A 39 14.922 2.277 -8.310 1.00 44.42 C ATOM 555 C ALA A 39 15.885 1.226 -7.770 1.00 22.51 C ATOM 556 O ALA A 39 16.340 1.314 -6.629 1.00 42.14 O ATOM 557 CB ALA A 39 15.602 3.117 -9.381 1.00 41.34 C ATOM 0 H ALA A 39 14.893 3.003 -6.343 1.00 41.14 H new ATOM 0 HA ALA A 39 14.072 1.759 -8.754 1.00 44.42 H new ATOM 0 HB1 ALA A 39 15.970 2.467 -10.175 1.00 41.34 H new ATOM 0 HB2 ALA A 39 14.886 3.826 -9.796 1.00 41.34 H new ATOM 0 HB3 ALA A 39 16.438 3.661 -8.941 1.00 41.34 H new ATOM 563 N ASP A 40 16.191 0.231 -8.595 1.00 71.44 N ATOM 564 CA ASP A 40 17.100 -0.839 -8.200 1.00 44.32 C ATOM 565 C ASP A 40 18.523 -0.311 -8.039 1.00 55.34 C ATOM 566 O ASP A 40 18.990 0.498 -8.842 1.00 4.21 O ATOM 567 CB ASP A 40 17.075 -1.966 -9.233 1.00 64.24 C ATOM 568 CG ASP A 40 17.609 -1.527 -10.583 1.00 11.12 C ATOM 569 OD1 ASP A 40 18.826 -1.681 -10.819 1.00 13.21 O ATOM 570 OD2 ASP A 40 16.809 -1.030 -11.403 1.00 44.01 O ATOM 0 H ASP A 40 15.823 0.143 -9.542 1.00 71.44 H new ATOM 0 HA ASP A 40 16.766 -1.230 -7.239 1.00 44.32 H new ATOM 0 HB2 ASP A 40 17.668 -2.804 -8.866 1.00 64.24 H new ATOM 0 HB3 ASP A 40 16.053 -2.325 -9.349 1.00 64.24 H new ATOM 575 N LEU A 41 19.205 -0.772 -6.997 1.00 61.44 N ATOM 576 CA LEU A 41 20.574 -0.346 -6.730 1.00 64.11 C ATOM 577 C LEU A 41 21.127 -1.037 -5.488 1.00 21.23 C ATOM 578 O LEU A 41 20.527 -1.979 -4.971 1.00 62.30 O ATOM 579 CB LEU A 41 20.631 1.172 -6.551 1.00 0.00 C ATOM 580 CG LEU A 41 21.772 1.891 -7.272 1.00 20.23 C ATOM 581 CD1 LEU A 41 21.265 2.558 -8.541 1.00 2.43 C ATOM 582 CD2 LEU A 41 22.423 2.914 -6.352 1.00 61.23 C ATOM 0 H LEU A 41 18.832 -1.441 -6.323 1.00 61.44 H new ATOM 0 HA LEU A 41 21.189 -0.628 -7.584 1.00 64.11 H new ATOM 0 HB2 LEU A 41 19.687 1.594 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 41 20.707 1.389 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 41 22.524 1.152 -7.550 1.00 20.23 H new ATOM 0 HD11 LEU A 41 22.091 3.065 -9.041 1.00 2.43 H new ATOM 0 HD12 LEU A 41 20.846 1.803 -9.207 1.00 2.43 H new ATOM 0 HD13 LEU A 41 20.494 3.285 -8.287 1.00 2.43 H new ATOM 0 HD21 LEU A 41 23.233 3.416 -6.881 1.00 61.23 H new ATOM 0 HD22 LEU A 41 21.681 3.650 -6.043 1.00 61.23 H new ATOM 0 HD23 LEU A 41 22.823 2.410 -5.472 1.00 61.23 H new ATOM 594 N MET A 42 22.273 -0.561 -5.012 1.00 41.25 N ATOM 595 CA MET A 42 22.905 -1.131 -3.828 1.00 72.02 C ATOM 596 C MET A 42 22.916 -0.126 -2.681 1.00 5.21 C ATOM 597 O MET A 42 23.614 0.886 -2.737 1.00 13.23 O ATOM 598 CB MET A 42 24.334 -1.573 -4.149 1.00 31.11 C ATOM 599 CG MET A 42 24.618 -3.022 -3.787 1.00 55.10 C ATOM 600 SD MET A 42 25.594 -3.183 -2.280 1.00 2.10 S ATOM 601 CE MET A 42 27.209 -3.555 -2.961 1.00 14.41 C ATOM 0 H MET A 42 22.783 0.218 -5.428 1.00 41.25 H new ATOM 0 HA MET A 42 22.325 -2.001 -3.520 1.00 72.02 H new ATOM 0 HB2 MET A 42 24.519 -1.430 -5.214 1.00 31.11 H new ATOM 0 HB3 MET A 42 25.033 -0.930 -3.615 1.00 31.11 H new ATOM 0 HG2 MET A 42 23.674 -3.553 -3.662 1.00 55.10 H new ATOM 0 HG3 MET A 42 25.147 -3.501 -4.611 1.00 55.10 H new ATOM 0 HE1 MET A 42 27.925 -3.683 -2.149 1.00 14.41 H new ATOM 0 HE2 MET A 42 27.155 -4.474 -3.545 1.00 14.41 H new ATOM 0 HE3 MET A 42 27.531 -2.735 -3.603 1.00 14.41 H new ATOM 611 N GLY A 43 22.139 -0.412 -1.641 1.00 11.01 N ATOM 612 CA GLY A 43 22.075 0.477 -0.496 1.00 13.22 C ATOM 613 C GLY A 43 21.292 -0.119 0.658 1.00 44.32 C ATOM 614 O GLY A 43 21.849 -0.469 1.698 1.00 5.03 O ATOM 0 H GLY A 43 21.553 -1.244 -1.571 1.00 11.01 H new ATOM 0 HA2 GLY A 43 23.087 0.709 -0.163 1.00 13.22 H new ATOM 0 HA3 GLY A 43 21.614 1.418 -0.796 1.00 13.22 H new ATOM 618 N PRO A 44 19.968 -0.239 0.480 1.00 24.33 N ATOM 619 CA PRO A 44 19.080 -0.796 1.505 1.00 52.32 C ATOM 620 C PRO A 44 19.289 -2.293 1.702 1.00 34.21 C ATOM 621 O PRO A 44 19.100 -2.816 2.800 1.00 60.42 O ATOM 622 CB PRO A 44 17.681 -0.520 0.949 1.00 54.52 C ATOM 623 CG PRO A 44 17.870 -0.432 -0.526 1.00 73.44 C ATOM 624 CD PRO A 44 19.237 0.158 -0.735 1.00 30.25 C ATOM 0 HA PRO A 44 19.260 -0.353 2.485 1.00 52.32 H new ATOM 0 HB2 PRO A 44 16.986 -1.317 1.212 1.00 54.52 H new ATOM 0 HB3 PRO A 44 17.271 0.406 1.351 1.00 54.52 H new ATOM 0 HG2 PRO A 44 17.795 -1.416 -0.988 1.00 73.44 H new ATOM 0 HG3 PRO A 44 17.102 0.193 -0.981 1.00 73.44 H new ATOM 0 HD2 PRO A 44 19.711 -0.234 -1.635 1.00 30.25 H new ATOM 0 HD3 PRO A 44 19.195 1.242 -0.843 1.00 30.25 H new ATOM 632 N ALA A 45 19.679 -2.978 0.632 1.00 44.51 N ATOM 633 CA ALA A 45 19.916 -4.415 0.689 1.00 43.43 C ATOM 634 C ALA A 45 21.079 -4.743 1.619 1.00 30.11 C ATOM 635 O ALA A 45 21.152 -5.839 2.175 1.00 33.13 O ATOM 636 CB ALA A 45 20.183 -4.961 -0.706 1.00 22.10 C ATOM 0 H ALA A 45 19.838 -2.561 -0.285 1.00 44.51 H new ATOM 0 HA ALA A 45 19.020 -4.891 1.089 1.00 43.43 H new ATOM 0 HB1 ALA A 45 20.358 -6.035 -0.649 1.00 22.10 H new ATOM 0 HB2 ALA A 45 19.320 -4.768 -1.344 1.00 22.10 H new ATOM 0 HB3 ALA A 45 21.062 -4.472 -1.126 1.00 22.10 H new ATOM 642 N PHE A 46 21.987 -3.787 1.784 1.00 64.15 N ATOM 643 CA PHE A 46 23.148 -3.976 2.646 1.00 43.24 C ATOM 644 C PHE A 46 22.883 -3.425 4.044 1.00 50.35 C ATOM 645 O PHE A 46 23.666 -3.642 4.967 1.00 25.41 O ATOM 646 CB PHE A 46 24.376 -3.292 2.040 1.00 21.32 C ATOM 647 CG PHE A 46 25.675 -3.937 2.432 1.00 40.12 C ATOM 648 CD1 PHE A 46 25.892 -5.285 2.199 1.00 22.45 C ATOM 649 CD2 PHE A 46 26.679 -3.194 3.033 1.00 73.24 C ATOM 650 CE1 PHE A 46 27.087 -5.882 2.558 1.00 15.42 C ATOM 651 CE2 PHE A 46 27.875 -3.785 3.393 1.00 1.21 C ATOM 652 CZ PHE A 46 28.079 -5.130 3.157 1.00 72.32 C ATOM 0 H PHE A 46 21.941 -2.874 1.332 1.00 64.15 H new ATOM 0 HA PHE A 46 23.339 -5.046 2.727 1.00 43.24 H new ATOM 0 HB2 PHE A 46 24.288 -3.301 0.954 1.00 21.32 H new ATOM 0 HB3 PHE A 46 24.390 -2.247 2.350 1.00 21.32 H new ATOM 0 HD1 PHE A 46 25.119 -5.877 1.732 1.00 22.45 H new ATOM 0 HD2 PHE A 46 26.525 -2.142 3.222 1.00 73.24 H new ATOM 0 HE1 PHE A 46 27.244 -6.934 2.370 1.00 15.42 H new ATOM 0 HE2 PHE A 46 28.650 -3.195 3.859 1.00 1.21 H new ATOM 0 HZ PHE A 46 29.013 -5.593 3.440 1.00 72.32 H new ATOM 662 N ALA A 47 21.773 -2.709 4.190 1.00 34.31 N ATOM 663 CA ALA A 47 21.402 -2.128 5.474 1.00 3.14 C ATOM 664 C ALA A 47 21.132 -3.213 6.511 1.00 72.32 C ATOM 665 O ALA A 47 21.497 -3.075 7.678 1.00 53.01 O ATOM 666 CB ALA A 47 20.183 -1.231 5.316 1.00 25.10 C ATOM 0 H ALA A 47 21.115 -2.517 3.435 1.00 34.31 H new ATOM 0 HA ALA A 47 22.239 -1.526 5.827 1.00 3.14 H new ATOM 0 HB1 ALA A 47 19.918 -0.804 6.283 1.00 25.10 H new ATOM 0 HB2 ALA A 47 20.411 -0.428 4.615 1.00 25.10 H new ATOM 0 HB3 ALA A 47 19.346 -1.818 4.936 1.00 25.10 H new ATOM 672 N ALA A 48 20.489 -4.293 6.077 1.00 44.44 N ATOM 673 CA ALA A 48 20.171 -5.402 6.967 1.00 63.01 C ATOM 674 C ALA A 48 21.164 -6.546 6.794 1.00 23.43 C ATOM 675 O ALA A 48 21.341 -7.368 7.692 1.00 22.54 O ATOM 676 CB ALA A 48 18.752 -5.890 6.716 1.00 1.32 C ATOM 0 H ALA A 48 20.178 -4.423 5.114 1.00 44.44 H new ATOM 0 HA ALA A 48 20.244 -5.044 7.994 1.00 63.01 H new ATOM 0 HB1 ALA A 48 18.528 -6.719 7.388 1.00 1.32 H new ATOM 0 HB2 ALA A 48 18.050 -5.076 6.897 1.00 1.32 H new ATOM 0 HB3 ALA A 48 18.660 -6.225 5.683 1.00 1.32 H new ATOM 682 N GLY A 49 21.810 -6.594 5.633 1.00 40.21 N ATOM 683 CA GLY A 49 22.777 -7.642 5.364 1.00 74.32 C ATOM 684 C GLY A 49 22.166 -8.819 4.628 1.00 42.51 C ATOM 685 O GLY A 49 22.752 -9.901 4.578 1.00 33.24 O ATOM 0 H GLY A 49 21.681 -5.925 4.874 1.00 40.21 H new ATOM 0 HA2 GLY A 49 23.596 -7.233 4.773 1.00 74.32 H new ATOM 0 HA3 GLY A 49 23.205 -7.988 6.305 1.00 74.32 H new ATOM 689 N LEU A 50 20.986 -8.608 4.056 1.00 71.42 N ATOM 690 CA LEU A 50 20.294 -9.661 3.320 1.00 41.12 C ATOM 691 C LEU A 50 20.931 -9.877 1.951 1.00 62.21 C ATOM 692 O LEU A 50 20.834 -9.025 1.068 1.00 13.53 O ATOM 693 CB LEU A 50 18.815 -9.308 3.156 1.00 34.35 C ATOM 694 CG LEU A 50 18.050 -9.007 4.446 1.00 41.31 C ATOM 695 CD1 LEU A 50 16.950 -7.989 4.189 1.00 52.15 C ATOM 696 CD2 LEU A 50 17.470 -10.285 5.033 1.00 10.04 C ATOM 0 H LEU A 50 20.488 -7.718 4.087 1.00 71.42 H new ATOM 0 HA LEU A 50 20.380 -10.586 3.891 1.00 41.12 H new ATOM 0 HB2 LEU A 50 18.740 -8.440 2.501 1.00 34.35 H new ATOM 0 HB3 LEU A 50 18.319 -10.135 2.647 1.00 34.35 H new ATOM 0 HG LEU A 50 18.747 -8.583 5.169 1.00 41.31 H new ATOM 0 HD11 LEU A 50 16.417 -7.787 5.118 1.00 52.15 H new ATOM 0 HD12 LEU A 50 17.390 -7.064 3.815 1.00 52.15 H new ATOM 0 HD13 LEU A 50 16.254 -8.384 3.449 1.00 52.15 H new ATOM 0 HD21 LEU A 50 16.929 -10.051 5.950 1.00 10.04 H new ATOM 0 HD22 LEU A 50 16.787 -10.738 4.314 1.00 10.04 H new ATOM 0 HD23 LEU A 50 18.278 -10.982 5.256 1.00 10.04 H new ATOM 708 N ARG A 51 21.581 -11.024 1.781 1.00 5.31 N ATOM 709 CA ARG A 51 22.234 -11.353 0.519 1.00 14.43 C ATOM 710 C ARG A 51 22.122 -12.845 0.223 1.00 63.24 C ATOM 711 O ARG A 51 21.572 -13.608 1.017 1.00 3.45 O ATOM 712 CB ARG A 51 23.706 -10.938 0.558 1.00 15.21 C ATOM 713 CG ARG A 51 24.349 -11.102 1.925 1.00 13.15 C ATOM 714 CD ARG A 51 24.311 -12.550 2.389 1.00 42.15 C ATOM 715 NE ARG A 51 25.363 -12.842 3.359 1.00 50.41 N ATOM 716 CZ ARG A 51 25.405 -13.953 4.085 1.00 22.20 C ATOM 717 NH1 ARG A 51 24.460 -14.873 3.951 1.00 72.03 N ATOM 718 NH2 ARG A 51 26.395 -14.147 4.947 1.00 10.54 N ATOM 0 H ARG A 51 21.670 -11.741 2.501 1.00 5.31 H new ATOM 0 HA ARG A 51 21.731 -10.803 -0.276 1.00 14.43 H new ATOM 0 HB2 ARG A 51 24.261 -11.531 -0.169 1.00 15.21 H new ATOM 0 HB3 ARG A 51 23.789 -9.896 0.249 1.00 15.21 H new ATOM 0 HG2 ARG A 51 25.383 -10.759 1.886 1.00 13.15 H new ATOM 0 HG3 ARG A 51 23.832 -10.473 2.649 1.00 13.15 H new ATOM 0 HD2 ARG A 51 23.339 -12.763 2.834 1.00 42.15 H new ATOM 0 HD3 ARG A 51 24.419 -13.209 1.528 1.00 42.15 H new ATOM 0 HE ARG A 51 26.106 -12.155 3.486 1.00 50.41 H new ATOM 0 HH11 ARG A 51 23.698 -14.729 3.289 1.00 72.03 H new ATOM 0 HH12 ARG A 51 24.495 -15.725 4.510 1.00 72.03 H new ATOM 0 HH21 ARG A 51 27.125 -13.442 5.052 1.00 10.54 H new ATOM 0 HH22 ARG A 51 26.426 -15.001 5.504 1.00 10.54 H new ATOM 732 N VAL A 52 22.648 -13.256 -0.927 1.00 52.44 N ATOM 733 CA VAL A 52 22.608 -14.657 -1.329 1.00 43.42 C ATOM 734 C VAL A 52 23.259 -15.548 -0.278 1.00 22.41 C ATOM 735 O VAL A 52 24.350 -15.256 0.210 1.00 63.43 O ATOM 736 CB VAL A 52 23.316 -14.873 -2.680 1.00 21.21 C ATOM 737 CG1 VAL A 52 24.670 -14.180 -2.691 1.00 11.23 C ATOM 738 CG2 VAL A 52 23.467 -16.359 -2.970 1.00 15.02 C ATOM 0 H VAL A 52 23.107 -12.638 -1.597 1.00 52.44 H new ATOM 0 HA VAL A 52 21.557 -14.928 -1.431 1.00 43.42 H new ATOM 0 HB VAL A 52 22.703 -14.432 -3.466 1.00 21.21 H new ATOM 0 HG11 VAL A 52 25.155 -14.344 -3.653 1.00 11.23 H new ATOM 0 HG12 VAL A 52 24.533 -13.111 -2.531 1.00 11.23 H new ATOM 0 HG13 VAL A 52 25.294 -14.588 -1.896 1.00 11.23 H new ATOM 0 HG21 VAL A 52 23.969 -16.494 -3.928 1.00 15.02 H new ATOM 0 HG22 VAL A 52 24.058 -16.825 -2.182 1.00 15.02 H new ATOM 0 HG23 VAL A 52 22.482 -16.824 -3.008 1.00 15.02 H new ATOM 748 N GLY A 53 22.581 -16.639 0.067 1.00 24.10 N ATOM 749 CA GLY A 53 23.109 -17.558 1.059 1.00 43.15 C ATOM 750 C GLY A 53 22.068 -17.970 2.079 1.00 34.55 C ATOM 751 O GLY A 53 21.781 -19.157 2.240 1.00 64.14 O ATOM 0 H GLY A 53 21.676 -16.903 -0.323 1.00 24.10 H new ATOM 0 HA2 GLY A 53 23.494 -18.446 0.558 1.00 43.15 H new ATOM 0 HA3 GLY A 53 23.950 -17.091 1.571 1.00 43.15 H new ATOM 755 N ASP A 54 21.500 -16.990 2.773 1.00 44.30 N ATOM 756 CA ASP A 54 20.485 -17.257 3.785 1.00 53.23 C ATOM 757 C ASP A 54 19.126 -17.506 3.138 1.00 53.20 C ATOM 758 O ASP A 54 18.788 -16.891 2.127 1.00 15.21 O ATOM 759 CB ASP A 54 20.390 -16.086 4.765 1.00 62.33 C ATOM 760 CG ASP A 54 20.283 -14.748 4.060 1.00 61.41 C ATOM 761 OD1 ASP A 54 21.336 -14.180 3.702 1.00 1.33 O ATOM 762 OD2 ASP A 54 19.146 -14.270 3.865 1.00 62.30 O ATOM 0 H ASP A 54 21.726 -16.003 2.653 1.00 44.30 H new ATOM 0 HA ASP A 54 20.778 -18.154 4.331 1.00 53.23 H new ATOM 0 HB2 ASP A 54 19.522 -16.225 5.409 1.00 62.33 H new ATOM 0 HB3 ASP A 54 21.268 -16.084 5.410 1.00 62.33 H new ATOM 767 N GLN A 55 18.353 -18.412 3.728 1.00 55.13 N ATOM 768 CA GLN A 55 17.031 -18.743 3.207 1.00 23.02 C ATOM 769 C GLN A 55 15.970 -17.813 3.785 1.00 52.31 C ATOM 770 O GLN A 55 16.033 -17.432 4.955 1.00 72.33 O ATOM 771 CB GLN A 55 16.683 -20.197 3.530 1.00 55.01 C ATOM 772 CG GLN A 55 17.682 -21.200 2.976 1.00 12.30 C ATOM 773 CD GLN A 55 17.122 -22.607 2.912 1.00 71.01 C ATOM 774 OE1 GLN A 55 16.591 -23.030 1.885 1.00 60.24 O ATOM 775 NE2 GLN A 55 17.238 -23.341 4.012 1.00 33.23 N ATOM 0 H GLN A 55 18.618 -18.930 4.566 1.00 55.13 H new ATOM 0 HA GLN A 55 17.051 -18.613 2.125 1.00 23.02 H new ATOM 0 HB2 GLN A 55 16.624 -20.316 4.612 1.00 55.01 H new ATOM 0 HB3 GLN A 55 15.695 -20.423 3.130 1.00 55.01 H new ATOM 0 HG2 GLN A 55 17.987 -20.889 1.977 1.00 12.30 H new ATOM 0 HG3 GLN A 55 18.577 -21.197 3.598 1.00 12.30 H new ATOM 0 HE21 GLN A 55 17.686 -22.950 4.841 1.00 33.23 H new ATOM 0 HE22 GLN A 55 16.880 -24.296 4.028 1.00 33.23 H new ATOM 784 N LEU A 56 14.996 -17.449 2.958 1.00 35.52 N ATOM 785 CA LEU A 56 13.919 -16.563 3.387 1.00 43.23 C ATOM 786 C LEU A 56 12.568 -17.264 3.296 1.00 14.23 C ATOM 787 O LEU A 56 12.149 -17.692 2.221 1.00 63.14 O ATOM 788 CB LEU A 56 13.907 -15.294 2.533 1.00 53.15 C ATOM 789 CG LEU A 56 15.070 -14.326 2.752 1.00 52.34 C ATOM 790 CD1 LEU A 56 15.242 -14.024 4.232 1.00 32.22 C ATOM 791 CD2 LEU A 56 16.355 -14.895 2.169 1.00 71.44 C ATOM 0 H LEU A 56 14.930 -17.754 1.987 1.00 35.52 H new ATOM 0 HA LEU A 56 14.097 -16.292 4.428 1.00 43.23 H new ATOM 0 HB2 LEU A 56 13.897 -15.587 1.483 1.00 53.15 H new ATOM 0 HB3 LEU A 56 12.976 -14.761 2.724 1.00 53.15 H new ATOM 0 HG LEU A 56 14.843 -13.393 2.236 1.00 52.34 H new ATOM 0 HD11 LEU A 56 16.074 -13.334 4.368 1.00 32.22 H new ATOM 0 HD12 LEU A 56 14.329 -13.572 4.620 1.00 32.22 H new ATOM 0 HD13 LEU A 56 15.446 -14.949 4.771 1.00 32.22 H new ATOM 0 HD21 LEU A 56 17.172 -14.192 2.334 1.00 71.44 H new ATOM 0 HD22 LEU A 56 16.587 -15.842 2.656 1.00 71.44 H new ATOM 0 HD23 LEU A 56 16.228 -15.058 1.099 1.00 71.44 H new ATOM 803 N VAL A 57 11.888 -17.376 4.433 1.00 55.41 N ATOM 804 CA VAL A 57 10.581 -18.021 4.482 1.00 62.42 C ATOM 805 C VAL A 57 9.509 -17.057 4.977 1.00 44.34 C ATOM 806 O VAL A 57 8.375 -17.076 4.500 1.00 35.20 O ATOM 807 CB VAL A 57 10.602 -19.261 5.396 1.00 71.14 C ATOM 808 CG1 VAL A 57 11.202 -20.453 4.665 1.00 34.13 C ATOM 809 CG2 VAL A 57 11.371 -18.967 6.675 1.00 41.04 C ATOM 0 H VAL A 57 12.221 -17.028 5.332 1.00 55.41 H new ATOM 0 HA VAL A 57 10.343 -18.331 3.465 1.00 62.42 H new ATOM 0 HB VAL A 57 9.576 -19.510 5.666 1.00 71.14 H new ATOM 0 HG11 VAL A 57 11.209 -21.320 5.326 1.00 34.13 H new ATOM 0 HG12 VAL A 57 10.605 -20.676 3.781 1.00 34.13 H new ATOM 0 HG13 VAL A 57 12.223 -20.219 4.364 1.00 34.13 H new ATOM 0 HG21 VAL A 57 11.376 -19.854 7.309 1.00 41.04 H new ATOM 0 HG22 VAL A 57 12.396 -18.692 6.428 1.00 41.04 H new ATOM 0 HG23 VAL A 57 10.893 -18.144 7.206 1.00 41.04 H new ATOM 819 N ARG A 58 9.878 -16.213 5.935 1.00 35.13 N ATOM 820 CA ARG A 58 8.947 -15.240 6.496 1.00 62.53 C ATOM 821 C ARG A 58 7.653 -15.918 6.937 1.00 51.43 C ATOM 822 O ARG A 58 6.583 -15.309 6.914 1.00 74.54 O ATOM 823 CB ARG A 58 8.640 -14.147 5.470 1.00 32.54 C ATOM 824 CG ARG A 58 9.873 -13.615 4.760 1.00 43.41 C ATOM 825 CD ARG A 58 9.508 -12.565 3.722 1.00 64.13 C ATOM 826 NE ARG A 58 10.294 -11.344 3.878 1.00 12.14 N ATOM 827 CZ ARG A 58 11.571 -11.241 3.527 1.00 73.22 C ATOM 828 NH1 ARG A 58 12.203 -12.281 3.001 1.00 73.41 N ATOM 829 NH2 ARG A 58 12.218 -10.096 3.701 1.00 51.15 N ATOM 0 H ARG A 58 10.814 -16.183 6.339 1.00 35.13 H new ATOM 0 HA ARG A 58 9.415 -14.787 7.370 1.00 62.53 H new ATOM 0 HB2 ARG A 58 7.946 -14.542 4.728 1.00 32.54 H new ATOM 0 HB3 ARG A 58 8.135 -13.321 5.971 1.00 32.54 H new ATOM 0 HG2 ARG A 58 10.557 -13.184 5.491 1.00 43.41 H new ATOM 0 HG3 ARG A 58 10.400 -14.438 4.277 1.00 43.41 H new ATOM 0 HD2 ARG A 58 9.666 -12.972 2.723 1.00 64.13 H new ATOM 0 HD3 ARG A 58 8.448 -12.327 3.805 1.00 64.13 H new ATOM 0 HE ARG A 58 9.837 -10.525 4.279 1.00 12.14 H new ATOM 0 HH11 ARG A 58 11.709 -13.163 2.865 1.00 73.41 H new ATOM 0 HH12 ARG A 58 13.184 -12.199 2.732 1.00 73.41 H new ATOM 0 HH21 ARG A 58 11.735 -9.293 4.105 1.00 51.15 H new ATOM 0 HH22 ARG A 58 13.199 -10.018 3.431 1.00 51.15 H new ATOM 843 N PHE A 59 7.759 -17.180 7.337 1.00 35.25 N ATOM 844 CA PHE A 59 6.597 -17.941 7.782 1.00 14.13 C ATOM 845 C PHE A 59 6.940 -18.796 8.998 1.00 33.44 C ATOM 846 O PHE A 59 8.064 -19.279 9.134 1.00 13.52 O ATOM 847 CB PHE A 59 6.078 -18.829 6.650 1.00 60.34 C ATOM 848 CG PHE A 59 5.327 -18.074 5.591 1.00 42.51 C ATOM 849 CD1 PHE A 59 5.637 -18.239 4.251 1.00 65.52 C ATOM 850 CD2 PHE A 59 4.311 -17.197 5.936 1.00 43.41 C ATOM 851 CE1 PHE A 59 4.948 -17.546 3.274 1.00 42.21 C ATOM 852 CE2 PHE A 59 3.618 -16.501 4.963 1.00 4.45 C ATOM 853 CZ PHE A 59 3.938 -16.674 3.631 1.00 20.40 C ATOM 0 H PHE A 59 8.637 -17.698 7.362 1.00 35.25 H new ATOM 0 HA PHE A 59 5.818 -17.234 8.065 1.00 14.13 H new ATOM 0 HB2 PHE A 59 6.920 -19.345 6.189 1.00 60.34 H new ATOM 0 HB3 PHE A 59 5.426 -19.595 7.070 1.00 60.34 H new ATOM 0 HD1 PHE A 59 6.427 -18.918 3.966 1.00 65.52 H new ATOM 0 HD2 PHE A 59 4.058 -17.056 6.976 1.00 43.41 H new ATOM 0 HE1 PHE A 59 5.199 -17.686 2.233 1.00 42.21 H new ATOM 0 HE2 PHE A 59 2.827 -15.822 5.245 1.00 4.45 H new ATOM 0 HZ PHE A 59 3.400 -16.129 2.870 1.00 20.40 H new ATOM 863 N ALA A 60 5.962 -18.979 9.880 1.00 24.52 N ATOM 864 CA ALA A 60 6.159 -19.777 11.084 1.00 23.31 C ATOM 865 C ALA A 60 6.251 -21.262 10.750 1.00 61.33 C ATOM 866 O ALA A 60 5.260 -21.886 10.373 1.00 31.11 O ATOM 867 CB ALA A 60 5.032 -19.526 12.074 1.00 13.11 C ATOM 0 H ALA A 60 5.026 -18.585 9.783 1.00 24.52 H new ATOM 0 HA ALA A 60 7.102 -19.475 11.539 1.00 23.31 H new ATOM 0 HB1 ALA A 60 5.192 -20.128 12.968 1.00 13.11 H new ATOM 0 HB2 ALA A 60 5.015 -18.471 12.346 1.00 13.11 H new ATOM 0 HB3 ALA A 60 4.080 -19.799 11.618 1.00 13.11 H new ATOM 873 N GLY A 61 7.449 -21.823 10.889 1.00 13.14 N ATOM 874 CA GLY A 61 7.647 -23.230 10.597 1.00 25.40 C ATOM 875 C GLY A 61 8.848 -23.473 9.705 1.00 64.24 C ATOM 876 O GLY A 61 9.147 -24.614 9.351 1.00 23.10 O ATOM 0 H GLY A 61 8.285 -21.328 11.199 1.00 13.14 H new ATOM 0 HA2 GLY A 61 7.775 -23.777 11.531 1.00 25.40 H new ATOM 0 HA3 GLY A 61 6.754 -23.627 10.115 1.00 25.40 H new ATOM 880 N TYR A 62 9.538 -22.399 9.338 1.00 12.41 N ATOM 881 CA TYR A 62 10.711 -22.500 8.478 1.00 53.23 C ATOM 882 C TYR A 62 10.345 -23.108 7.127 1.00 13.51 C ATOM 883 O TYR A 62 11.101 -23.898 6.562 1.00 22.43 O ATOM 884 CB TYR A 62 11.793 -23.344 9.153 1.00 41.32 C ATOM 885 CG TYR A 62 11.796 -23.232 10.661 1.00 51.44 C ATOM 886 CD1 TYR A 62 11.846 -21.991 11.284 1.00 11.23 C ATOM 887 CD2 TYR A 62 11.750 -24.366 11.462 1.00 55.24 C ATOM 888 CE1 TYR A 62 11.849 -21.883 12.662 1.00 63.34 C ATOM 889 CE2 TYR A 62 11.751 -24.268 12.840 1.00 40.25 C ATOM 890 CZ TYR A 62 11.801 -23.025 13.435 1.00 42.52 C ATOM 891 OH TYR A 62 11.804 -22.923 14.807 1.00 4.31 O ATOM 0 H TYR A 62 9.305 -21.448 9.623 1.00 12.41 H new ATOM 0 HA TYR A 62 11.096 -21.494 8.311 1.00 53.23 H new ATOM 0 HB2 TYR A 62 11.653 -24.389 8.875 1.00 41.32 H new ATOM 0 HB3 TYR A 62 12.768 -23.041 8.773 1.00 41.32 H new ATOM 0 HD1 TYR A 62 11.883 -21.096 10.681 1.00 11.23 H new ATOM 0 HD2 TYR A 62 11.713 -25.341 10.999 1.00 55.24 H new ATOM 0 HE1 TYR A 62 11.889 -20.911 13.131 1.00 63.34 H new ATOM 0 HE2 TYR A 62 11.713 -25.160 13.448 1.00 40.25 H new ATOM 0 HH TYR A 62 11.765 -23.819 15.202 1.00 4.31 H new ATOM 901 N THR A 63 9.178 -22.732 6.613 1.00 53.41 N ATOM 902 CA THR A 63 8.709 -23.238 5.329 1.00 22.54 C ATOM 903 C THR A 63 8.199 -22.107 4.444 1.00 3.14 C ATOM 904 O THR A 63 7.697 -21.097 4.938 1.00 24.01 O ATOM 905 CB THR A 63 7.587 -24.278 5.512 1.00 41.04 C ATOM 906 OG1 THR A 63 7.033 -24.629 4.239 1.00 65.44 O ATOM 907 CG2 THR A 63 6.490 -23.737 6.416 1.00 52.14 C ATOM 0 H THR A 63 8.540 -22.078 7.067 1.00 53.41 H new ATOM 0 HA THR A 63 9.562 -23.715 4.847 1.00 22.54 H new ATOM 0 HB THR A 63 8.016 -25.165 5.979 1.00 41.04 H new ATOM 0 HG1 THR A 63 7.737 -25.001 3.667 1.00 65.44 H new ATOM 0 HG21 THR A 63 5.709 -24.489 6.530 1.00 52.14 H new ATOM 0 HG22 THR A 63 6.909 -23.497 7.393 1.00 52.14 H new ATOM 0 HG23 THR A 63 6.065 -22.836 5.973 1.00 52.14 H new ATOM 915 N VAL A 64 8.330 -22.282 3.133 1.00 23.22 N ATOM 916 CA VAL A 64 7.881 -21.276 2.179 1.00 72.04 C ATOM 917 C VAL A 64 7.411 -21.922 0.880 1.00 44.42 C ATOM 918 O VAL A 64 7.769 -23.060 0.574 1.00 42.44 O ATOM 919 CB VAL A 64 8.998 -20.264 1.862 1.00 61.33 C ATOM 920 CG1 VAL A 64 10.047 -20.893 0.957 1.00 52.33 C ATOM 921 CG2 VAL A 64 8.416 -19.010 1.227 1.00 64.32 C ATOM 0 H VAL A 64 8.744 -23.112 2.708 1.00 23.22 H new ATOM 0 HA VAL A 64 7.046 -20.750 2.643 1.00 72.04 H new ATOM 0 HB VAL A 64 9.482 -19.979 2.796 1.00 61.33 H new ATOM 0 HG11 VAL A 64 10.828 -20.163 0.744 1.00 52.33 H new ATOM 0 HG12 VAL A 64 10.485 -21.758 1.454 1.00 52.33 H new ATOM 0 HG13 VAL A 64 9.580 -21.208 0.024 1.00 52.33 H new ATOM 0 HG21 VAL A 64 9.219 -18.306 1.010 1.00 64.32 H new ATOM 0 HG22 VAL A 64 7.905 -19.275 0.301 1.00 64.32 H new ATOM 0 HG23 VAL A 64 7.706 -18.550 1.914 1.00 64.32 H new ATOM 931 N THR A 65 6.607 -21.187 0.117 1.00 23.30 N ATOM 932 CA THR A 65 6.088 -21.688 -1.149 1.00 53.33 C ATOM 933 C THR A 65 7.119 -21.543 -2.262 1.00 50.15 C ATOM 934 O THR A 65 7.745 -22.520 -2.671 1.00 24.11 O ATOM 935 CB THR A 65 4.800 -20.949 -1.559 1.00 75.31 C ATOM 936 OG1 THR A 65 3.777 -21.168 -0.581 1.00 20.22 O ATOM 937 CG2 THR A 65 4.315 -21.422 -2.921 1.00 72.13 C ATOM 0 H THR A 65 6.302 -20.243 0.354 1.00 23.30 H new ATOM 0 HA THR A 65 5.862 -22.744 -1.002 1.00 53.33 H new ATOM 0 HB THR A 65 5.022 -19.884 -1.620 1.00 75.31 H new ATOM 0 HG1 THR A 65 2.962 -20.694 -0.848 1.00 20.22 H new ATOM 0 HG21 THR A 65 3.404 -20.886 -3.189 1.00 72.13 H new ATOM 0 HG22 THR A 65 5.084 -21.228 -3.669 1.00 72.13 H new ATOM 0 HG23 THR A 65 4.109 -22.492 -2.882 1.00 72.13 H new ATOM 945 N GLU A 66 7.290 -20.317 -2.749 1.00 23.55 N ATOM 946 CA GLU A 66 8.247 -20.046 -3.815 1.00 73.33 C ATOM 947 C GLU A 66 8.336 -18.549 -4.098 1.00 63.53 C ATOM 948 O GLU A 66 7.804 -17.731 -3.347 1.00 23.10 O ATOM 949 CB GLU A 66 7.849 -20.794 -5.089 1.00 71.54 C ATOM 950 CG GLU A 66 6.604 -20.237 -5.759 1.00 60.10 C ATOM 951 CD GLU A 66 5.579 -21.310 -6.070 1.00 33.11 C ATOM 952 OE1 GLU A 66 5.985 -22.467 -6.307 1.00 61.11 O ATOM 953 OE2 GLU A 66 4.371 -20.993 -6.076 1.00 71.53 O ATOM 0 H GLU A 66 6.779 -19.497 -2.422 1.00 23.55 H new ATOM 0 HA GLU A 66 9.226 -20.395 -3.488 1.00 73.33 H new ATOM 0 HB2 GLU A 66 8.678 -20.758 -5.795 1.00 71.54 H new ATOM 0 HB3 GLU A 66 7.682 -21.844 -4.847 1.00 71.54 H new ATOM 0 HG2 GLU A 66 6.153 -19.486 -5.111 1.00 60.10 H new ATOM 0 HG3 GLU A 66 6.888 -19.732 -6.683 1.00 60.10 H new ATOM 960 N LEU A 67 9.013 -18.199 -5.186 1.00 50.33 N ATOM 961 CA LEU A 67 9.174 -16.800 -5.570 1.00 34.43 C ATOM 962 C LEU A 67 7.820 -16.104 -5.670 1.00 21.21 C ATOM 963 O LEU A 67 7.695 -14.921 -5.355 1.00 33.32 O ATOM 964 CB LEU A 67 9.912 -16.699 -6.905 1.00 42.14 C ATOM 965 CG LEU A 67 9.372 -17.571 -8.039 1.00 72.21 C ATOM 966 CD1 LEU A 67 8.330 -16.812 -8.846 1.00 61.34 C ATOM 967 CD2 LEU A 67 10.507 -18.042 -8.937 1.00 55.33 C ATOM 0 H LEU A 67 9.459 -18.864 -5.818 1.00 50.33 H new ATOM 0 HA LEU A 67 9.762 -16.302 -4.799 1.00 34.43 H new ATOM 0 HB2 LEU A 67 9.890 -15.659 -7.231 1.00 42.14 H new ATOM 0 HB3 LEU A 67 10.957 -16.959 -6.740 1.00 42.14 H new ATOM 0 HG LEU A 67 8.895 -18.448 -7.602 1.00 72.21 H new ATOM 0 HD11 LEU A 67 7.957 -17.448 -9.649 1.00 61.34 H new ATOM 0 HD12 LEU A 67 7.503 -16.526 -8.196 1.00 61.34 H new ATOM 0 HD13 LEU A 67 8.782 -15.917 -9.273 1.00 61.34 H new ATOM 0 HD21 LEU A 67 10.104 -18.661 -9.738 1.00 55.33 H new ATOM 0 HD22 LEU A 67 11.014 -17.178 -9.366 1.00 55.33 H new ATOM 0 HD23 LEU A 67 11.217 -18.625 -8.350 1.00 55.33 H new ATOM 979 N ALA A 68 6.809 -16.847 -6.109 1.00 24.33 N ATOM 980 CA ALA A 68 5.464 -16.303 -6.246 1.00 43.21 C ATOM 981 C ALA A 68 4.958 -15.749 -4.919 1.00 0.14 C ATOM 982 O ALA A 68 4.306 -14.706 -4.879 1.00 35.44 O ATOM 983 CB ALA A 68 4.515 -17.369 -6.772 1.00 54.20 C ATOM 0 H ALA A 68 6.896 -17.828 -6.376 1.00 24.33 H new ATOM 0 HA ALA A 68 5.502 -15.481 -6.961 1.00 43.21 H new ATOM 0 HB1 ALA A 68 3.514 -16.949 -6.869 1.00 54.20 H new ATOM 0 HB2 ALA A 68 4.860 -17.714 -7.747 1.00 54.20 H new ATOM 0 HB3 ALA A 68 4.490 -18.209 -6.077 1.00 54.20 H new ATOM 989 N ALA A 69 5.263 -16.454 -3.834 1.00 15.01 N ATOM 990 CA ALA A 69 4.839 -16.032 -2.505 1.00 2.44 C ATOM 991 C ALA A 69 5.574 -14.768 -2.070 1.00 25.52 C ATOM 992 O ALA A 69 5.014 -13.920 -1.375 1.00 65.11 O ATOM 993 CB ALA A 69 5.067 -17.150 -1.498 1.00 54.12 C ATOM 0 H ALA A 69 5.802 -17.320 -3.850 1.00 15.01 H new ATOM 0 HA ALA A 69 3.773 -15.806 -2.545 1.00 2.44 H new ATOM 0 HB1 ALA A 69 4.746 -16.821 -0.510 1.00 54.12 H new ATOM 0 HB2 ALA A 69 4.492 -18.028 -1.793 1.00 54.12 H new ATOM 0 HB3 ALA A 69 6.127 -17.403 -1.469 1.00 54.12 H new ATOM 999 N PHE A 70 6.832 -14.650 -2.482 1.00 42.12 N ATOM 1000 CA PHE A 70 7.645 -13.490 -2.134 1.00 30.44 C ATOM 1001 C PHE A 70 7.137 -12.237 -2.841 1.00 33.52 C ATOM 1002 O PHE A 70 7.318 -11.122 -2.356 1.00 11.43 O ATOM 1003 CB PHE A 70 9.109 -13.739 -2.501 1.00 4.41 C ATOM 1004 CG PHE A 70 10.050 -12.710 -1.942 1.00 3.12 C ATOM 1005 CD1 PHE A 70 10.897 -11.999 -2.777 1.00 61.52 C ATOM 1006 CD2 PHE A 70 10.088 -12.454 -0.581 1.00 2.24 C ATOM 1007 CE1 PHE A 70 11.764 -11.052 -2.266 1.00 51.10 C ATOM 1008 CE2 PHE A 70 10.952 -11.507 -0.064 1.00 25.22 C ATOM 1009 CZ PHE A 70 11.792 -10.806 -0.907 1.00 62.33 C ATOM 0 H PHE A 70 7.311 -15.343 -3.057 1.00 42.12 H new ATOM 0 HA PHE A 70 7.569 -13.334 -1.058 1.00 30.44 H new ATOM 0 HB2 PHE A 70 9.404 -14.724 -2.139 1.00 4.41 H new ATOM 0 HB3 PHE A 70 9.205 -13.756 -3.587 1.00 4.41 H new ATOM 0 HD1 PHE A 70 10.879 -12.187 -3.840 1.00 61.52 H new ATOM 0 HD2 PHE A 70 9.435 -13.001 0.084 1.00 2.24 H new ATOM 0 HE1 PHE A 70 12.419 -10.505 -2.928 1.00 51.10 H new ATOM 0 HE2 PHE A 70 10.970 -11.315 0.999 1.00 25.22 H new ATOM 0 HZ PHE A 70 12.469 -10.067 -0.505 1.00 62.33 H new ATOM 1019 N ASN A 71 6.500 -12.432 -3.991 1.00 50.31 N ATOM 1020 CA ASN A 71 5.966 -11.318 -4.767 1.00 1.03 C ATOM 1021 C ASN A 71 4.951 -10.524 -3.950 1.00 41.34 C ATOM 1022 O ASN A 71 4.947 -9.292 -3.971 1.00 61.33 O ATOM 1023 CB ASN A 71 5.314 -11.831 -6.052 1.00 42.24 C ATOM 1024 CG ASN A 71 6.148 -11.531 -7.283 1.00 2.10 C ATOM 1025 OD1 ASN A 71 6.439 -12.421 -8.082 1.00 35.51 O ATOM 1026 ND2 ASN A 71 6.538 -10.271 -7.441 1.00 30.32 N ATOM 0 H ASN A 71 6.341 -13.350 -4.406 1.00 50.31 H new ATOM 0 HA ASN A 71 6.794 -10.658 -5.026 1.00 1.03 H new ATOM 0 HB2 ASN A 71 5.161 -12.907 -5.974 1.00 42.24 H new ATOM 0 HB3 ASN A 71 4.330 -11.376 -6.164 1.00 42.24 H new ATOM 0 HD21 ASN A 71 7.102 -10.009 -8.250 1.00 30.32 H new ATOM 0 HD22 ASN A 71 6.274 -9.565 -6.754 1.00 30.32 H new ATOM 1033 N THR A 72 4.091 -11.237 -3.230 1.00 54.14 N ATOM 1034 CA THR A 72 3.070 -10.600 -2.407 1.00 44.24 C ATOM 1035 C THR A 72 3.688 -9.936 -1.182 1.00 40.21 C ATOM 1036 O THR A 72 3.231 -8.882 -0.738 1.00 24.31 O ATOM 1037 CB THR A 72 2.007 -11.614 -1.946 1.00 53.02 C ATOM 1038 OG1 THR A 72 2.251 -12.889 -2.551 1.00 15.21 O ATOM 1039 CG2 THR A 72 0.609 -11.134 -2.308 1.00 20.41 C ATOM 0 H THR A 72 4.081 -12.257 -3.200 1.00 54.14 H new ATOM 0 HA THR A 72 2.592 -9.841 -3.026 1.00 44.24 H new ATOM 0 HB THR A 72 2.072 -11.709 -0.862 1.00 53.02 H new ATOM 0 HG1 THR A 72 1.572 -13.529 -2.251 1.00 15.21 H new ATOM 0 HG21 THR A 72 -0.125 -11.866 -1.973 1.00 20.41 H new ATOM 0 HG22 THR A 72 0.416 -10.178 -1.822 1.00 20.41 H new ATOM 0 HG23 THR A 72 0.534 -11.014 -3.389 1.00 20.41 H new ATOM 1047 N VAL A 73 4.730 -10.558 -0.639 1.00 71.15 N ATOM 1048 CA VAL A 73 5.412 -10.026 0.534 1.00 12.02 C ATOM 1049 C VAL A 73 6.196 -8.765 0.190 1.00 41.14 C ATOM 1050 O VAL A 73 6.202 -7.797 0.950 1.00 11.03 O ATOM 1051 CB VAL A 73 6.372 -11.064 1.144 1.00 64.21 C ATOM 1052 CG1 VAL A 73 7.137 -10.463 2.313 1.00 11.53 C ATOM 1053 CG2 VAL A 73 5.608 -12.306 1.578 1.00 5.11 C ATOM 0 H VAL A 73 5.120 -11.431 -0.993 1.00 71.15 H new ATOM 0 HA VAL A 73 4.641 -9.782 1.265 1.00 12.02 H new ATOM 0 HB VAL A 73 7.094 -11.357 0.382 1.00 64.21 H new ATOM 0 HG11 VAL A 73 7.810 -11.212 2.731 1.00 11.53 H new ATOM 0 HG12 VAL A 73 7.716 -9.607 1.967 1.00 11.53 H new ATOM 0 HG13 VAL A 73 6.434 -10.139 3.080 1.00 11.53 H new ATOM 0 HG21 VAL A 73 6.302 -13.029 2.007 1.00 5.11 H new ATOM 0 HG22 VAL A 73 4.862 -12.032 2.324 1.00 5.11 H new ATOM 0 HG23 VAL A 73 5.111 -12.748 0.714 1.00 5.11 H new ATOM 1063 N VAL A 74 6.858 -8.783 -0.963 1.00 54.43 N ATOM 1064 CA VAL A 74 7.645 -7.640 -1.411 1.00 13.33 C ATOM 1065 C VAL A 74 6.783 -6.387 -1.517 1.00 11.43 C ATOM 1066 O VAL A 74 7.232 -5.284 -1.205 1.00 51.04 O ATOM 1067 CB VAL A 74 8.305 -7.912 -2.775 1.00 72.53 C ATOM 1068 CG1 VAL A 74 8.981 -6.656 -3.302 1.00 51.03 C ATOM 1069 CG2 VAL A 74 9.300 -9.057 -2.666 1.00 23.53 C ATOM 0 H VAL A 74 6.865 -9.577 -1.604 1.00 54.43 H new ATOM 0 HA VAL A 74 8.423 -7.480 -0.665 1.00 13.33 H new ATOM 0 HB VAL A 74 7.529 -8.201 -3.483 1.00 72.53 H new ATOM 0 HG11 VAL A 74 9.442 -6.868 -4.267 1.00 51.03 H new ATOM 0 HG12 VAL A 74 8.239 -5.866 -3.420 1.00 51.03 H new ATOM 0 HG13 VAL A 74 9.747 -6.332 -2.597 1.00 51.03 H new ATOM 0 HG21 VAL A 74 9.757 -9.236 -3.639 1.00 23.53 H new ATOM 0 HG22 VAL A 74 10.074 -8.799 -1.943 1.00 23.53 H new ATOM 0 HG23 VAL A 74 8.783 -9.958 -2.337 1.00 23.53 H new ATOM 1079 N ALA A 75 5.542 -6.564 -1.958 1.00 31.20 N ATOM 1080 CA ALA A 75 4.616 -5.448 -2.103 1.00 34.22 C ATOM 1081 C ALA A 75 4.357 -4.772 -0.761 1.00 2.41 C ATOM 1082 O ALA A 75 4.339 -3.544 -0.667 1.00 74.23 O ATOM 1083 CB ALA A 75 3.307 -5.924 -2.717 1.00 23.45 C ATOM 0 H ALA A 75 5.155 -7.470 -2.221 1.00 31.20 H new ATOM 0 HA ALA A 75 5.071 -4.715 -2.768 1.00 34.22 H new ATOM 0 HB1 ALA A 75 2.625 -5.080 -2.819 1.00 23.45 H new ATOM 0 HB2 ALA A 75 3.501 -6.355 -3.699 1.00 23.45 H new ATOM 0 HB3 ALA A 75 2.856 -6.679 -2.073 1.00 23.45 H new ATOM 1089 N ARG A 76 4.158 -5.580 0.275 1.00 15.43 N ATOM 1090 CA ARG A 76 3.898 -5.058 1.612 1.00 61.22 C ATOM 1091 C ARG A 76 5.194 -4.614 2.283 1.00 24.12 C ATOM 1092 O ARG A 76 5.187 -3.748 3.159 1.00 24.41 O ATOM 1093 CB ARG A 76 3.204 -6.118 2.470 1.00 52.53 C ATOM 1094 CG ARG A 76 2.117 -6.883 1.732 1.00 43.51 C ATOM 1095 CD ARG A 76 1.125 -5.940 1.069 1.00 33.30 C ATOM 1096 NE ARG A 76 0.505 -5.033 2.031 1.00 32.12 N ATOM 1097 CZ ARG A 76 -0.505 -5.379 2.821 1.00 14.45 C ATOM 1098 NH1 ARG A 76 -1.007 -6.605 2.765 1.00 43.34 N ATOM 1099 NH2 ARG A 76 -1.016 -4.497 3.671 1.00 0.35 N ATOM 0 H ARG A 76 4.172 -6.598 0.215 1.00 15.43 H new ATOM 0 HA ARG A 76 3.243 -4.192 1.516 1.00 61.22 H new ATOM 0 HB2 ARG A 76 3.950 -6.824 2.834 1.00 52.53 H new ATOM 0 HB3 ARG A 76 2.767 -5.636 3.345 1.00 52.53 H new ATOM 0 HG2 ARG A 76 2.571 -7.525 0.977 1.00 43.51 H new ATOM 0 HG3 ARG A 76 1.591 -7.534 2.430 1.00 43.51 H new ATOM 0 HD2 ARG A 76 1.635 -5.360 0.300 1.00 33.30 H new ATOM 0 HD3 ARG A 76 0.351 -6.522 0.568 1.00 33.30 H new ATOM 0 HE ARG A 76 0.867 -4.082 2.100 1.00 32.12 H new ATOM 0 HH11 ARG A 76 -0.617 -7.286 2.114 1.00 43.34 H new ATOM 0 HH12 ARG A 76 -1.783 -6.867 3.373 1.00 43.34 H new ATOM 0 HH21 ARG A 76 -0.633 -3.553 3.718 1.00 0.35 H new ATOM 0 HH22 ARG A 76 -1.792 -4.763 4.277 1.00 0.35 H new ATOM 1113 N HIS A 77 6.306 -5.213 1.867 1.00 32.01 N ATOM 1114 CA HIS A 77 7.610 -4.879 2.428 1.00 22.31 C ATOM 1115 C HIS A 77 8.133 -3.569 1.846 1.00 33.23 C ATOM 1116 O HIS A 77 8.772 -2.780 2.542 1.00 32.13 O ATOM 1117 CB HIS A 77 8.609 -6.005 2.157 1.00 35.22 C ATOM 1118 CG HIS A 77 9.543 -6.264 3.298 1.00 24.04 C ATOM 1119 ND1 HIS A 77 10.049 -5.262 4.099 1.00 1.12 N ATOM 1120 CD2 HIS A 77 10.063 -7.421 3.772 1.00 12.44 C ATOM 1121 CE1 HIS A 77 10.840 -5.791 5.015 1.00 5.44 C ATOM 1122 NE2 HIS A 77 10.866 -7.099 4.839 1.00 35.43 N ATOM 0 H HIS A 77 6.330 -5.932 1.144 1.00 32.01 H new ATOM 0 HA HIS A 77 7.494 -4.757 3.505 1.00 22.31 H new ATOM 0 HB2 HIS A 77 8.061 -6.920 1.932 1.00 35.22 H new ATOM 0 HB3 HIS A 77 9.192 -5.757 1.270 1.00 35.22 H new ATOM 0 HD1 HIS A 77 9.844 -4.268 4.000 1.00 1.12 H new ATOM 0 HD2 HIS A 77 9.880 -8.412 3.384 1.00 12.44 H new ATOM 0 HE1 HIS A 77 11.375 -5.246 5.779 1.00 5.44 H new ATOM 1130 N VAL A 78 7.857 -3.344 0.565 1.00 21.44 N ATOM 1131 CA VAL A 78 8.299 -2.130 -0.110 1.00 31.11 C ATOM 1132 C VAL A 78 7.737 -0.887 0.571 1.00 61.10 C ATOM 1133 O VAL A 78 6.602 -0.486 0.315 1.00 72.05 O ATOM 1134 CB VAL A 78 7.876 -2.126 -1.591 1.00 21.10 C ATOM 1135 CG1 VAL A 78 8.025 -0.734 -2.185 1.00 42.13 C ATOM 1136 CG2 VAL A 78 8.690 -3.141 -2.380 1.00 34.35 C ATOM 0 H VAL A 78 7.329 -3.987 -0.026 1.00 21.44 H new ATOM 0 HA VAL A 78 9.387 -2.113 -0.050 1.00 31.11 H new ATOM 0 HB VAL A 78 6.826 -2.410 -1.652 1.00 21.10 H new ATOM 0 HG11 VAL A 78 7.722 -0.751 -3.232 1.00 42.13 H new ATOM 0 HG12 VAL A 78 7.395 -0.035 -1.636 1.00 42.13 H new ATOM 0 HG13 VAL A 78 9.066 -0.418 -2.114 1.00 42.13 H new ATOM 0 HG21 VAL A 78 8.378 -3.125 -3.424 1.00 34.35 H new ATOM 0 HG22 VAL A 78 9.748 -2.889 -2.314 1.00 34.35 H new ATOM 0 HG23 VAL A 78 8.527 -4.137 -1.968 1.00 34.35 H new ATOM 1146 N ARG A 79 8.540 -0.281 1.440 1.00 72.23 N ATOM 1147 CA ARG A 79 8.123 0.917 2.159 1.00 74.44 C ATOM 1148 C ARG A 79 9.332 1.746 2.582 1.00 73.42 C ATOM 1149 O ARG A 79 10.452 1.246 2.686 1.00 21.11 O ATOM 1150 CB ARG A 79 7.295 0.537 3.388 1.00 24.12 C ATOM 1151 CG ARG A 79 5.817 0.864 3.252 1.00 22.54 C ATOM 1152 CD ARG A 79 5.160 1.047 4.611 1.00 1.34 C ATOM 1153 NE ARG A 79 3.872 1.728 4.509 1.00 3.41 N ATOM 1154 CZ ARG A 79 3.175 2.144 5.561 1.00 61.03 C ATOM 1155 NH1 ARG A 79 3.640 1.949 6.787 1.00 14.12 N ATOM 1156 NH2 ARG A 79 2.011 2.756 5.386 1.00 10.45 N ATOM 0 H ARG A 79 9.483 -0.600 1.663 1.00 72.23 H new ATOM 0 HA ARG A 79 7.510 1.518 1.488 1.00 74.44 H new ATOM 0 HB2 ARG A 79 7.406 -0.531 3.574 1.00 24.12 H new ATOM 0 HB3 ARG A 79 7.695 1.056 4.259 1.00 24.12 H new ATOM 0 HG2 ARG A 79 5.697 1.773 2.663 1.00 22.54 H new ATOM 0 HG3 ARG A 79 5.315 0.064 2.708 1.00 22.54 H new ATOM 0 HD2 ARG A 79 5.019 0.073 5.080 1.00 1.34 H new ATOM 0 HD3 ARG A 79 5.823 1.620 5.260 1.00 1.34 H new ATOM 0 HE ARG A 79 3.486 1.893 3.579 1.00 3.41 H new ATOM 0 HH11 ARG A 79 4.535 1.479 6.924 1.00 14.12 H new ATOM 0 HH12 ARG A 79 3.103 2.269 7.593 1.00 14.12 H new ATOM 0 HH21 ARG A 79 1.651 2.907 4.444 1.00 10.45 H new ATOM 0 HH22 ARG A 79 1.476 3.075 6.194 1.00 10.45 H new ATOM 1170 N PRO A 80 9.102 3.043 2.831 1.00 12.33 N ATOM 1171 CA PRO A 80 10.160 3.969 3.247 1.00 73.00 C ATOM 1172 C PRO A 80 10.657 3.685 4.660 1.00 35.53 C ATOM 1173 O PRO A 80 9.991 4.017 5.641 1.00 31.50 O ATOM 1174 CB PRO A 80 9.477 5.338 3.185 1.00 25.14 C ATOM 1175 CG PRO A 80 8.028 5.047 3.366 1.00 14.13 C ATOM 1176 CD PRO A 80 7.791 3.707 2.727 1.00 22.42 C ATOM 0 HA PRO A 80 11.044 3.889 2.614 1.00 73.00 H new ATOM 0 HB2 PRO A 80 9.848 6.001 3.966 1.00 25.14 H new ATOM 0 HB3 PRO A 80 9.666 5.832 2.232 1.00 25.14 H new ATOM 0 HG2 PRO A 80 7.763 5.027 4.423 1.00 14.13 H new ATOM 0 HG3 PRO A 80 7.414 5.816 2.898 1.00 14.13 H new ATOM 0 HD2 PRO A 80 7.014 3.146 3.246 1.00 22.42 H new ATOM 0 HD3 PRO A 80 7.472 3.807 1.689 1.00 22.42 H new ATOM 1184 N SER A 81 11.830 3.068 4.757 1.00 3.32 N ATOM 1185 CA SER A 81 12.415 2.736 6.051 1.00 13.32 C ATOM 1186 C SER A 81 11.496 1.809 6.840 1.00 31.43 C ATOM 1187 O SER A 81 11.332 1.961 8.050 1.00 4.14 O ATOM 1188 CB SER A 81 12.684 4.010 6.855 1.00 64.13 C ATOM 1189 OG SER A 81 12.781 5.139 6.004 1.00 61.13 O ATOM 0 H SER A 81 12.394 2.788 3.955 1.00 3.32 H new ATOM 0 HA SER A 81 13.359 2.220 5.874 1.00 13.32 H new ATOM 0 HB2 SER A 81 11.883 4.163 7.578 1.00 64.13 H new ATOM 0 HB3 SER A 81 13.608 3.898 7.422 1.00 64.13 H new ATOM 0 HG SER A 81 12.951 5.940 6.542 1.00 61.13 H new ATOM 1195 N ALA A 82 10.898 0.846 6.145 1.00 2.51 N ATOM 1196 CA ALA A 82 9.997 -0.108 6.780 1.00 43.34 C ATOM 1197 C ALA A 82 10.773 -1.261 7.407 1.00 74.44 C ATOM 1198 O ALA A 82 11.226 -2.169 6.709 1.00 1.41 O ATOM 1199 CB ALA A 82 8.989 -0.634 5.769 1.00 61.20 C ATOM 0 H ALA A 82 11.022 0.706 5.142 1.00 2.51 H new ATOM 0 HA ALA A 82 9.460 0.409 7.576 1.00 43.34 H new ATOM 0 HB1 ALA A 82 8.322 -1.345 6.256 1.00 61.20 H new ATOM 0 HB2 ALA A 82 8.406 0.196 5.371 1.00 61.20 H new ATOM 0 HB3 ALA A 82 9.516 -1.130 4.954 1.00 61.20 H new ATOM 1205 N SER A 83 10.922 -1.220 8.727 1.00 54.12 N ATOM 1206 CA SER A 83 11.646 -2.260 9.447 1.00 25.03 C ATOM 1207 C SER A 83 10.705 -3.383 9.872 1.00 24.20 C ATOM 1208 O SER A 83 9.739 -3.156 10.601 1.00 41.34 O ATOM 1209 CB SER A 83 12.341 -1.669 10.676 1.00 62.43 C ATOM 1210 OG SER A 83 13.437 -0.854 10.299 1.00 63.00 O ATOM 0 H SER A 83 10.551 -0.477 9.319 1.00 54.12 H new ATOM 0 HA SER A 83 12.399 -2.675 8.777 1.00 25.03 H new ATOM 0 HB2 SER A 83 11.628 -1.081 11.253 1.00 62.43 H new ATOM 0 HB3 SER A 83 12.688 -2.474 11.324 1.00 62.43 H new ATOM 0 HG SER A 83 13.863 -0.487 11.102 1.00 63.00 H new ATOM 1216 N ILE A 84 10.995 -4.595 9.411 1.00 22.32 N ATOM 1217 CA ILE A 84 10.176 -5.754 9.744 1.00 62.34 C ATOM 1218 C ILE A 84 11.042 -6.982 10.005 1.00 32.23 C ATOM 1219 O ILE A 84 11.959 -7.299 9.248 1.00 41.24 O ATOM 1220 CB ILE A 84 9.174 -6.077 8.619 1.00 1.25 C ATOM 1221 CG1 ILE A 84 8.295 -4.859 8.325 1.00 22.33 C ATOM 1222 CG2 ILE A 84 8.318 -7.275 9.001 1.00 60.23 C ATOM 1223 CD1 ILE A 84 7.407 -4.461 9.483 1.00 31.52 C ATOM 0 H ILE A 84 11.790 -4.800 8.806 1.00 22.32 H new ATOM 0 HA ILE A 84 9.625 -5.501 10.650 1.00 62.34 H new ATOM 0 HB ILE A 84 9.731 -6.326 7.716 1.00 1.25 H new ATOM 0 HG12 ILE A 84 8.933 -4.016 8.061 1.00 22.33 H new ATOM 0 HG13 ILE A 84 7.672 -5.072 7.456 1.00 22.33 H new ATOM 0 HG21 ILE A 84 7.615 -7.491 8.197 1.00 60.23 H new ATOM 0 HG22 ILE A 84 8.958 -8.142 9.166 1.00 60.23 H new ATOM 0 HG23 ILE A 84 7.767 -7.052 9.914 1.00 60.23 H new ATOM 0 HD11 ILE A 84 6.813 -3.591 9.203 1.00 31.52 H new ATOM 0 HD12 ILE A 84 6.743 -5.289 9.734 1.00 31.52 H new ATOM 0 HD13 ILE A 84 8.024 -4.216 10.347 1.00 31.52 H new ATOM 1235 N PRO A 85 10.744 -7.693 11.103 1.00 1.12 N ATOM 1236 CA PRO A 85 11.482 -8.899 11.489 1.00 32.34 C ATOM 1237 C PRO A 85 11.220 -10.066 10.544 1.00 61.54 C ATOM 1238 O PRO A 85 10.082 -10.509 10.387 1.00 11.23 O ATOM 1239 CB PRO A 85 10.943 -9.213 12.887 1.00 14.43 C ATOM 1240 CG PRO A 85 9.584 -8.603 12.915 1.00 53.34 C ATOM 1241 CD PRO A 85 9.664 -7.374 12.052 1.00 51.22 C ATOM 0 HA PRO A 85 12.560 -8.744 11.458 1.00 32.34 H new ATOM 0 HB2 PRO A 85 10.898 -10.288 13.062 1.00 14.43 H new ATOM 0 HB3 PRO A 85 11.583 -8.791 13.662 1.00 14.43 H new ATOM 0 HG2 PRO A 85 8.836 -9.299 12.535 1.00 53.34 H new ATOM 0 HG3 PRO A 85 9.292 -8.346 13.933 1.00 53.34 H new ATOM 0 HD2 PRO A 85 8.722 -7.181 11.539 1.00 51.22 H new ATOM 0 HD3 PRO A 85 9.895 -6.485 12.639 1.00 51.22 H new ATOM 1249 N VAL A 86 12.281 -10.562 9.915 1.00 42.03 N ATOM 1250 CA VAL A 86 12.166 -11.679 8.985 1.00 22.41 C ATOM 1251 C VAL A 86 12.785 -12.945 9.568 1.00 51.01 C ATOM 1252 O VAL A 86 13.790 -12.888 10.277 1.00 34.12 O ATOM 1253 CB VAL A 86 12.845 -11.362 7.639 1.00 31.04 C ATOM 1254 CG1 VAL A 86 12.752 -12.555 6.700 1.00 54.42 C ATOM 1255 CG2 VAL A 86 12.223 -10.126 7.008 1.00 1.40 C ATOM 0 H VAL A 86 13.230 -10.208 10.033 1.00 42.03 H new ATOM 0 HA VAL A 86 11.101 -11.842 8.817 1.00 22.41 H new ATOM 0 HB VAL A 86 13.900 -11.157 7.823 1.00 31.04 H new ATOM 0 HG11 VAL A 86 13.237 -12.312 5.754 1.00 54.42 H new ATOM 0 HG12 VAL A 86 13.248 -13.414 7.152 1.00 54.42 H new ATOM 0 HG13 VAL A 86 11.704 -12.795 6.519 1.00 54.42 H new ATOM 0 HG21 VAL A 86 12.714 -9.916 6.058 1.00 1.40 H new ATOM 0 HG22 VAL A 86 11.161 -10.300 6.836 1.00 1.40 H new ATOM 0 HG23 VAL A 86 12.347 -9.274 7.677 1.00 1.40 H new ATOM 1265 N VAL A 87 12.178 -14.088 9.264 1.00 43.05 N ATOM 1266 CA VAL A 87 12.670 -15.369 9.756 1.00 63.24 C ATOM 1267 C VAL A 87 13.498 -16.085 8.694 1.00 41.51 C ATOM 1268 O VAL A 87 13.003 -16.395 7.610 1.00 10.12 O ATOM 1269 CB VAL A 87 11.511 -16.286 10.191 1.00 5.41 C ATOM 1270 CG1 VAL A 87 10.491 -16.424 9.072 1.00 73.41 C ATOM 1271 CG2 VAL A 87 12.040 -17.648 10.614 1.00 61.04 C ATOM 0 H VAL A 87 11.345 -14.153 8.679 1.00 43.05 H new ATOM 0 HA VAL A 87 13.299 -15.155 10.620 1.00 63.24 H new ATOM 0 HB VAL A 87 11.014 -15.833 11.049 1.00 5.41 H new ATOM 0 HG11 VAL A 87 9.680 -17.075 9.397 1.00 73.41 H new ATOM 0 HG12 VAL A 87 10.090 -15.442 8.822 1.00 73.41 H new ATOM 0 HG13 VAL A 87 10.971 -16.854 8.193 1.00 73.41 H new ATOM 0 HG21 VAL A 87 11.208 -18.283 10.918 1.00 61.04 H new ATOM 0 HG22 VAL A 87 12.563 -18.111 9.777 1.00 61.04 H new ATOM 0 HG23 VAL A 87 12.729 -17.527 11.450 1.00 61.04 H new ATOM 1281 N PHE A 88 14.762 -16.344 9.012 1.00 32.24 N ATOM 1282 CA PHE A 88 15.660 -17.023 8.085 1.00 32.25 C ATOM 1283 C PHE A 88 16.175 -18.329 8.685 1.00 54.42 C ATOM 1284 O PHE A 88 16.209 -18.493 9.904 1.00 21.22 O ATOM 1285 CB PHE A 88 16.837 -16.115 7.725 1.00 4.13 C ATOM 1286 CG PHE A 88 17.719 -15.784 8.895 1.00 23.54 C ATOM 1287 CD1 PHE A 88 18.941 -16.417 9.059 1.00 1.23 C ATOM 1288 CD2 PHE A 88 17.326 -14.842 9.832 1.00 41.23 C ATOM 1289 CE1 PHE A 88 19.755 -16.115 10.135 1.00 43.24 C ATOM 1290 CE2 PHE A 88 18.136 -14.535 10.909 1.00 61.43 C ATOM 1291 CZ PHE A 88 19.352 -15.174 11.061 1.00 14.41 C ATOM 0 H PHE A 88 15.188 -16.094 9.905 1.00 32.24 H new ATOM 0 HA PHE A 88 15.099 -17.256 7.180 1.00 32.25 H new ATOM 0 HB2 PHE A 88 17.436 -16.599 6.954 1.00 4.13 H new ATOM 0 HB3 PHE A 88 16.453 -15.189 7.296 1.00 4.13 H new ATOM 0 HD1 PHE A 88 19.261 -17.155 8.338 1.00 1.23 H new ATOM 0 HD2 PHE A 88 16.375 -14.342 9.719 1.00 41.23 H new ATOM 0 HE1 PHE A 88 20.705 -16.615 10.251 1.00 43.24 H new ATOM 0 HE2 PHE A 88 17.819 -13.797 11.631 1.00 61.43 H new ATOM 0 HZ PHE A 88 19.986 -14.937 11.903 1.00 14.41 H new ATOM 1301 N SER A 89 16.573 -19.254 7.818 1.00 22.10 N ATOM 1302 CA SER A 89 17.082 -20.547 8.260 1.00 21.04 C ATOM 1303 C SER A 89 18.370 -20.904 7.525 1.00 60.54 C ATOM 1304 O SER A 89 18.497 -20.669 6.323 1.00 3.30 O ATOM 1305 CB SER A 89 16.033 -21.637 8.033 1.00 14.25 C ATOM 1306 OG SER A 89 15.430 -22.026 9.255 1.00 35.33 O ATOM 0 H SER A 89 16.553 -19.132 6.805 1.00 22.10 H new ATOM 0 HA SER A 89 17.299 -20.479 9.326 1.00 21.04 H new ATOM 0 HB2 SER A 89 15.269 -21.273 7.346 1.00 14.25 H new ATOM 0 HB3 SER A 89 16.499 -22.502 7.562 1.00 14.25 H new ATOM 0 HG SER A 89 16.127 -22.239 9.910 1.00 35.33 H new ATOM 1312 N ARG A 90 19.323 -21.475 8.255 1.00 15.22 N ATOM 1313 CA ARG A 90 20.601 -21.864 7.674 1.00 65.14 C ATOM 1314 C ARG A 90 20.880 -23.345 7.914 1.00 74.14 C ATOM 1315 O ARG A 90 21.305 -23.739 9.000 1.00 72.13 O ATOM 1316 CB ARG A 90 21.732 -21.020 8.264 1.00 44.32 C ATOM 1317 CG ARG A 90 22.920 -20.853 7.329 1.00 34.34 C ATOM 1318 CD ARG A 90 24.139 -20.324 8.067 1.00 25.34 C ATOM 1319 NE ARG A 90 24.795 -19.243 7.337 1.00 52.31 N ATOM 1320 CZ ARG A 90 25.502 -19.428 6.228 1.00 54.14 C ATOM 1321 NH1 ARG A 90 25.643 -20.646 5.723 1.00 4.04 N ATOM 1322 NH2 ARG A 90 26.068 -18.393 5.620 1.00 71.22 N ATOM 0 H ARG A 90 19.233 -21.678 9.251 1.00 15.22 H new ATOM 0 HA ARG A 90 20.550 -21.691 6.599 1.00 65.14 H new ATOM 0 HB2 ARG A 90 21.342 -20.035 8.522 1.00 44.32 H new ATOM 0 HB3 ARG A 90 22.072 -21.481 9.191 1.00 44.32 H new ATOM 0 HG2 ARG A 90 23.160 -21.811 6.869 1.00 34.34 H new ATOM 0 HG3 ARG A 90 22.656 -20.169 6.522 1.00 34.34 H new ATOM 0 HD2 ARG A 90 23.839 -19.966 9.052 1.00 25.34 H new ATOM 0 HD3 ARG A 90 24.848 -21.137 8.225 1.00 25.34 H new ATOM 0 HE ARG A 90 24.705 -18.293 7.699 1.00 52.31 H new ATOM 0 HH11 ARG A 90 25.208 -21.444 6.186 1.00 4.04 H new ATOM 0 HH12 ARG A 90 26.187 -20.785 4.871 1.00 4.04 H new ATOM 0 HH21 ARG A 90 25.960 -17.454 6.004 1.00 71.22 H new ATOM 0 HH22 ARG A 90 26.611 -18.536 4.768 1.00 71.22 H new ATOM 1336 N ASP A 91 20.636 -24.160 6.893 1.00 20.23 N ATOM 1337 CA ASP A 91 20.861 -25.598 6.993 1.00 55.34 C ATOM 1338 C ASP A 91 19.978 -26.212 8.075 1.00 61.03 C ATOM 1339 O ASP A 91 20.357 -27.190 8.718 1.00 71.13 O ATOM 1340 CB ASP A 91 22.332 -25.886 7.293 1.00 63.14 C ATOM 1341 CG ASP A 91 23.265 -24.905 6.611 1.00 42.25 C ATOM 1342 OD1 ASP A 91 24.039 -24.229 7.321 1.00 21.42 O ATOM 1343 OD2 ASP A 91 23.222 -24.813 5.366 1.00 2.11 O ATOM 0 H ASP A 91 20.283 -23.850 5.988 1.00 20.23 H new ATOM 0 HA ASP A 91 20.599 -26.049 6.036 1.00 55.34 H new ATOM 0 HB2 ASP A 91 22.494 -25.848 8.370 1.00 63.14 H new ATOM 0 HB3 ASP A 91 22.574 -26.898 6.969 1.00 63.14 H new ATOM 1348 N GLY A 92 18.799 -25.630 8.271 1.00 11.22 N ATOM 1349 CA GLY A 92 17.882 -26.133 9.277 1.00 13.41 C ATOM 1350 C GLY A 92 17.911 -25.311 10.551 1.00 71.33 C ATOM 1351 O GLY A 92 17.044 -25.458 11.413 1.00 43.12 O ATOM 0 H GLY A 92 18.463 -24.819 7.751 1.00 11.22 H new ATOM 0 HA2 GLY A 92 16.870 -26.135 8.873 1.00 13.41 H new ATOM 0 HA3 GLY A 92 18.135 -27.167 9.510 1.00 13.41 H new ATOM 1355 N VAL A 93 18.912 -24.445 10.671 1.00 14.34 N ATOM 1356 CA VAL A 93 19.051 -23.597 11.850 1.00 50.05 C ATOM 1357 C VAL A 93 17.907 -22.594 11.943 1.00 11.21 C ATOM 1358 O VAL A 93 17.408 -22.108 10.928 1.00 42.22 O ATOM 1359 CB VAL A 93 20.389 -22.834 11.837 1.00 53.33 C ATOM 1360 CG1 VAL A 93 20.464 -21.868 13.009 1.00 12.33 C ATOM 1361 CG2 VAL A 93 21.557 -23.807 11.862 1.00 64.33 C ATOM 0 H VAL A 93 19.638 -24.312 9.967 1.00 14.34 H new ATOM 0 HA VAL A 93 19.025 -24.255 12.719 1.00 50.05 H new ATOM 0 HB VAL A 93 20.448 -22.255 10.916 1.00 53.33 H new ATOM 0 HG11 VAL A 93 21.416 -21.338 12.983 1.00 12.33 H new ATOM 0 HG12 VAL A 93 19.647 -21.150 12.941 1.00 12.33 H new ATOM 0 HG13 VAL A 93 20.383 -22.423 13.944 1.00 12.33 H new ATOM 0 HG21 VAL A 93 22.494 -23.251 11.852 1.00 64.33 H new ATOM 0 HG22 VAL A 93 21.505 -24.415 12.765 1.00 64.33 H new ATOM 0 HG23 VAL A 93 21.510 -24.454 10.986 1.00 64.33 H new ATOM 1371 N VAL A 94 17.495 -22.287 13.169 1.00 11.12 N ATOM 1372 CA VAL A 94 16.410 -21.340 13.396 1.00 1.35 C ATOM 1373 C VAL A 94 16.921 -20.069 14.066 1.00 43.01 C ATOM 1374 O VAL A 94 17.361 -20.095 15.215 1.00 43.31 O ATOM 1375 CB VAL A 94 15.301 -21.956 14.269 1.00 14.12 C ATOM 1376 CG1 VAL A 94 15.888 -22.546 15.542 1.00 0.32 C ATOM 1377 CG2 VAL A 94 14.239 -20.916 14.594 1.00 3.40 C ATOM 0 H VAL A 94 17.896 -22.680 14.020 1.00 11.12 H new ATOM 0 HA VAL A 94 15.997 -21.092 12.418 1.00 1.35 H new ATOM 0 HB VAL A 94 14.828 -22.762 13.708 1.00 14.12 H new ATOM 0 HG11 VAL A 94 15.089 -22.976 16.146 1.00 0.32 H new ATOM 0 HG12 VAL A 94 16.607 -23.323 15.285 1.00 0.32 H new ATOM 0 HG13 VAL A 94 16.389 -21.762 16.109 1.00 0.32 H new ATOM 0 HG21 VAL A 94 13.463 -21.369 15.211 1.00 3.40 H new ATOM 0 HG22 VAL A 94 14.695 -20.087 15.135 1.00 3.40 H new ATOM 0 HG23 VAL A 94 13.797 -20.546 13.669 1.00 3.40 H new ATOM 1387 N MET A 95 16.859 -18.958 13.339 1.00 4.13 N ATOM 1388 CA MET A 95 17.315 -17.676 13.864 1.00 13.30 C ATOM 1389 C MET A 95 16.441 -16.536 13.349 1.00 32.43 C ATOM 1390 O MET A 95 15.954 -16.577 12.219 1.00 2.44 O ATOM 1391 CB MET A 95 18.774 -17.431 13.475 1.00 11.51 C ATOM 1392 CG MET A 95 19.366 -16.177 14.098 1.00 4.01 C ATOM 1393 SD MET A 95 19.516 -16.297 15.891 1.00 44.30 S ATOM 1394 CE MET A 95 20.963 -17.343 16.041 1.00 52.53 C ATOM 0 H MET A 95 16.498 -18.920 12.386 1.00 4.13 H new ATOM 0 HA MET A 95 17.237 -17.708 14.951 1.00 13.30 H new ATOM 0 HB2 MET A 95 19.371 -18.292 13.775 1.00 11.51 H new ATOM 0 HB3 MET A 95 18.845 -17.356 12.390 1.00 11.51 H new ATOM 0 HG2 MET A 95 20.350 -15.991 13.667 1.00 4.01 H new ATOM 0 HG3 MET A 95 18.740 -15.321 13.846 1.00 4.01 H new ATOM 0 HE1 MET A 95 20.743 -18.174 16.712 1.00 52.53 H new ATOM 0 HE2 MET A 95 21.235 -17.731 15.059 1.00 52.53 H new ATOM 0 HE3 MET A 95 21.792 -16.761 16.444 1.00 52.53 H new ATOM 1404 N SER A 96 16.246 -15.522 14.186 1.00 54.13 N ATOM 1405 CA SER A 96 15.427 -14.373 13.816 1.00 34.32 C ATOM 1406 C SER A 96 16.247 -13.087 13.851 1.00 31.52 C ATOM 1407 O SER A 96 16.949 -12.812 14.824 1.00 70.53 O ATOM 1408 CB SER A 96 14.227 -14.252 14.757 1.00 14.14 C ATOM 1409 OG SER A 96 14.647 -14.071 16.099 1.00 53.55 O ATOM 0 H SER A 96 16.643 -15.472 15.124 1.00 54.13 H new ATOM 0 HA SER A 96 15.068 -14.526 12.798 1.00 34.32 H new ATOM 0 HB2 SER A 96 13.604 -13.411 14.451 1.00 14.14 H new ATOM 0 HB3 SER A 96 13.611 -15.148 14.683 1.00 14.14 H new ATOM 0 HG SER A 96 13.862 -13.995 16.680 1.00 53.55 H new ATOM 1415 N ALA A 97 16.152 -12.303 12.782 1.00 23.42 N ATOM 1416 CA ALA A 97 16.883 -11.046 12.690 1.00 2.33 C ATOM 1417 C ALA A 97 16.035 -9.965 12.029 1.00 12.21 C ATOM 1418 O ALA A 97 15.317 -10.228 11.064 1.00 53.43 O ATOM 1419 CB ALA A 97 18.181 -11.245 11.922 1.00 41.55 C ATOM 0 H ALA A 97 15.576 -12.517 11.968 1.00 23.42 H new ATOM 0 HA ALA A 97 17.120 -10.717 13.702 1.00 2.33 H new ATOM 0 HB1 ALA A 97 18.717 -10.298 11.861 1.00 41.55 H new ATOM 0 HB2 ALA A 97 18.800 -11.979 12.438 1.00 41.55 H new ATOM 0 HB3 ALA A 97 17.958 -11.601 10.916 1.00 41.55 H new ATOM 1425 N THR A 98 16.121 -8.747 12.555 1.00 1.20 N ATOM 1426 CA THR A 98 15.360 -7.626 12.017 1.00 30.32 C ATOM 1427 C THR A 98 16.077 -6.993 10.830 1.00 25.54 C ATOM 1428 O THR A 98 17.228 -6.570 10.943 1.00 64.42 O ATOM 1429 CB THR A 98 15.115 -6.548 13.089 1.00 12.40 C ATOM 1430 OG1 THR A 98 14.589 -7.149 14.278 1.00 51.44 O ATOM 1431 CG2 THR A 98 14.149 -5.489 12.580 1.00 55.31 C ATOM 0 H THR A 98 16.710 -8.512 13.354 1.00 1.20 H new ATOM 0 HA THR A 98 14.401 -8.025 11.687 1.00 30.32 H new ATOM 0 HB THR A 98 16.068 -6.070 13.316 1.00 12.40 H new ATOM 0 HG1 THR A 98 14.438 -6.457 14.955 1.00 51.44 H new ATOM 0 HG21 THR A 98 13.991 -4.738 13.354 1.00 55.31 H new ATOM 0 HG22 THR A 98 14.566 -5.013 11.692 1.00 55.31 H new ATOM 0 HG23 THR A 98 13.197 -5.956 12.328 1.00 55.31 H new ATOM 1439 N ILE A 99 15.391 -6.931 9.695 1.00 71.25 N ATOM 1440 CA ILE A 99 15.963 -6.348 8.488 1.00 42.24 C ATOM 1441 C ILE A 99 15.213 -5.085 8.079 1.00 40.25 C ATOM 1442 O ILE A 99 13.993 -5.099 7.918 1.00 75.23 O ATOM 1443 CB ILE A 99 15.942 -7.346 7.315 1.00 23.32 C ATOM 1444 CG1 ILE A 99 14.505 -7.768 7.001 1.00 3.41 C ATOM 1445 CG2 ILE A 99 16.798 -8.562 7.639 1.00 14.15 C ATOM 1446 CD1 ILE A 99 13.944 -7.118 5.756 1.00 72.34 C ATOM 0 H ILE A 99 14.438 -7.277 9.585 1.00 71.25 H new ATOM 0 HA ILE A 99 16.997 -6.095 8.720 1.00 42.24 H new ATOM 0 HB ILE A 99 16.358 -6.857 6.434 1.00 23.32 H new ATOM 0 HG12 ILE A 99 14.470 -8.851 6.883 1.00 3.41 H new ATOM 0 HG13 ILE A 99 13.868 -7.519 7.850 1.00 3.41 H new ATOM 0 HG21 ILE A 99 16.773 -9.258 6.801 1.00 14.15 H new ATOM 0 HG22 ILE A 99 17.826 -8.246 7.818 1.00 14.15 H new ATOM 0 HG23 ILE A 99 16.409 -9.054 8.531 1.00 14.15 H new ATOM 0 HD11 ILE A 99 12.923 -7.463 5.594 1.00 72.34 H new ATOM 0 HD12 ILE A 99 13.946 -6.035 5.878 1.00 72.34 H new ATOM 0 HD13 ILE A 99 14.558 -7.387 4.897 1.00 72.34 H new ATOM 1458 N VAL A 100 15.952 -3.993 7.910 1.00 52.33 N ATOM 1459 CA VAL A 100 15.357 -2.721 7.516 1.00 4.10 C ATOM 1460 C VAL A 100 15.499 -2.489 6.016 1.00 74.22 C ATOM 1461 O VAL A 100 16.602 -2.290 5.509 1.00 44.24 O ATOM 1462 CB VAL A 100 16.003 -1.543 8.269 1.00 11.43 C ATOM 1463 CG1 VAL A 100 17.517 -1.584 8.129 1.00 71.11 C ATOM 1464 CG2 VAL A 100 15.448 -0.220 7.763 1.00 3.54 C ATOM 0 H VAL A 100 16.963 -3.963 8.040 1.00 52.33 H new ATOM 0 HA VAL A 100 14.299 -2.773 7.774 1.00 4.10 H new ATOM 0 HB VAL A 100 15.758 -1.633 9.327 1.00 11.43 H new ATOM 0 HG11 VAL A 100 17.955 -0.744 8.668 1.00 71.11 H new ATOM 0 HG12 VAL A 100 17.896 -2.518 8.544 1.00 71.11 H new ATOM 0 HG13 VAL A 100 17.787 -1.519 7.075 1.00 71.11 H new ATOM 0 HG21 VAL A 100 15.915 0.602 8.306 1.00 3.54 H new ATOM 0 HG22 VAL A 100 15.661 -0.119 6.699 1.00 3.54 H new ATOM 0 HG23 VAL A 100 14.370 -0.193 7.922 1.00 3.54 H new ATOM 1474 N VAL A 101 14.373 -2.516 5.310 1.00 74.42 N ATOM 1475 CA VAL A 101 14.370 -2.308 3.867 1.00 52.32 C ATOM 1476 C VAL A 101 13.892 -0.903 3.516 1.00 62.24 C ATOM 1477 O VAL A 101 12.722 -0.571 3.697 1.00 53.31 O ATOM 1478 CB VAL A 101 13.473 -3.337 3.153 1.00 42.53 C ATOM 1479 CG1 VAL A 101 13.472 -3.093 1.651 1.00 24.22 C ATOM 1480 CG2 VAL A 101 13.929 -4.752 3.471 1.00 24.34 C ATOM 0 H VAL A 101 13.451 -2.680 5.714 1.00 74.42 H new ATOM 0 HA VAL A 101 15.398 -2.435 3.526 1.00 52.32 H new ATOM 0 HB VAL A 101 12.452 -3.218 3.517 1.00 42.53 H new ATOM 0 HG11 VAL A 101 12.833 -3.829 1.163 1.00 24.22 H new ATOM 0 HG12 VAL A 101 13.094 -2.092 1.445 1.00 24.22 H new ATOM 0 HG13 VAL A 101 14.488 -3.183 1.267 1.00 24.22 H new ATOM 0 HG21 VAL A 101 13.284 -5.466 2.958 1.00 24.34 H new ATOM 0 HG22 VAL A 101 14.958 -4.887 3.136 1.00 24.34 H new ATOM 0 HG23 VAL A 101 13.873 -4.919 4.547 1.00 24.34 H new ATOM 1490 N GLY A 102 14.808 -0.081 3.011 1.00 73.51 N ATOM 1491 CA GLY A 102 14.461 1.278 2.641 1.00 11.45 C ATOM 1492 C GLY A 102 14.374 1.467 1.140 1.00 53.00 C ATOM 1493 O GLY A 102 15.389 1.441 0.445 1.00 10.43 O ATOM 0 H GLY A 102 15.784 -0.333 2.852 1.00 73.51 H new ATOM 0 HA2 GLY A 102 13.505 1.541 3.093 1.00 11.45 H new ATOM 0 HA3 GLY A 102 15.205 1.963 3.048 1.00 11.45 H new ATOM 1497 N GLU A 103 13.157 1.655 0.638 1.00 0.23 N ATOM 1498 CA GLU A 103 12.942 1.846 -0.791 1.00 40.03 C ATOM 1499 C GLU A 103 12.937 3.330 -1.147 1.00 64.15 C ATOM 1500 O GLU A 103 13.429 3.728 -2.204 1.00 65.02 O ATOM 1501 CB GLU A 103 11.622 1.203 -1.221 1.00 71.04 C ATOM 1502 CG GLU A 103 11.438 -0.213 -0.703 1.00 74.41 C ATOM 1503 CD GLU A 103 12.655 -1.085 -0.942 1.00 71.23 C ATOM 1504 OE1 GLU A 103 13.665 -0.901 -0.231 1.00 32.12 O ATOM 1505 OE2 GLU A 103 12.598 -1.951 -1.840 1.00 43.14 O ATOM 0 H GLU A 103 12.306 1.679 1.200 1.00 0.23 H new ATOM 0 HA GLU A 103 13.763 1.365 -1.323 1.00 40.03 H new ATOM 0 HB2 GLU A 103 10.795 1.820 -0.869 1.00 71.04 H new ATOM 0 HB3 GLU A 103 11.570 1.192 -2.310 1.00 71.04 H new ATOM 0 HG2 GLU A 103 11.224 -0.180 0.365 1.00 74.41 H new ATOM 0 HG3 GLU A 103 10.572 -0.664 -1.188 1.00 74.41 H new