USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 983 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 85 MET CE :methyl -143:sc= -1.61 (180deg=-1.84!) USER MOD Set 1.2: A 112 MET CE :methyl -111:sc= -1.74 (180deg=-3.31!) USER MOD Set 2.1: A 74 THR OG1 : rot 145:sc= 1.23 USER MOD Set 2.2: A 109 HIS : no HE2:sc= -0.0408 K(o=1.2,f=-0.85) USER MOD Set 3.1: A 54 ASN : amide:sc= 1.24 K(o=-4.1,f=-12!) USER MOD Set 3.2: A 58 ASN : amide:sc= -5.31! C(o=-4.1!,f=-9.1!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc=-0.00705 X(o=-0.0071,f=-0.03) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 0:sc= 0.628 USER MOD Single : A 21 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= -3.78! USER MOD Single : A 29 ASN : amide:sc= 0.31 K(o=0.31,f=-5!) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00375 USER MOD Single : A 43 GLN : amide:sc= -0.405 K(o=-0.41,f=-1.9!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 113:sc= 0.0706 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.152 F(o=-1.6!,f=-0.15) USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= -2.62! (180deg=-4.33!) USER MOD Single : A 90 GLN : amide:sc= 1.04 K(o=1,f=-0.18) USER MOD Single : A 95 SER OG : rot 86:sc= 0.816 USER MOD Single : A 100 SER OG : rot 16:sc= 0.376 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.0163 F(o=-1.1,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 50 N ILE A 4 -15.097 -4.622 4.022 1.00 43.44 N ATOM 51 CA ILE A 4 -13.990 -3.714 4.364 1.00 1.21 C ATOM 52 C ILE A 4 -14.475 -2.455 5.087 1.00 0.53 C ATOM 53 O ILE A 4 -15.627 -2.374 5.518 1.00 43.25 O ATOM 54 CB ILE A 4 -13.097 -3.328 3.145 1.00 12.13 C ATOM 55 CG1 ILE A 4 -13.819 -2.393 2.163 1.00 44.00 C ATOM 56 CG2 ILE A 4 -12.616 -4.583 2.424 1.00 4.33 C ATOM 57 CD1 ILE A 4 -12.945 -1.912 1.025 1.00 60.52 C ATOM 0 HA ILE A 4 -13.363 -4.286 5.048 1.00 1.21 H new ATOM 0 HB ILE A 4 -12.238 -2.783 3.535 1.00 12.13 H new ATOM 0 HG12 ILE A 4 -14.684 -2.912 1.750 1.00 44.00 H new ATOM 0 HG13 ILE A 4 -14.197 -1.529 2.709 1.00 44.00 H new ATOM 0 HG21 ILE A 4 -11.994 -4.299 1.575 1.00 4.33 H new ATOM 0 HG22 ILE A 4 -12.034 -5.197 3.111 1.00 4.33 H new ATOM 0 HG23 ILE A 4 -13.476 -5.151 2.069 1.00 4.33 H new ATOM 0 HD11 ILE A 4 -13.524 -1.257 0.374 1.00 60.52 H new ATOM 0 HD12 ILE A 4 -12.093 -1.364 1.427 1.00 60.52 H new ATOM 0 HD13 ILE A 4 -12.588 -2.769 0.453 1.00 60.52 H new ATOM 69 N ASP A 5 -13.572 -1.501 5.274 1.00 61.41 N ATOM 70 CA ASP A 5 -13.921 -0.240 5.912 1.00 44.31 C ATOM 71 C ASP A 5 -14.782 0.586 4.970 1.00 53.10 C ATOM 72 O ASP A 5 -15.978 0.749 5.202 1.00 71.33 O ATOM 73 CB ASP A 5 -12.660 0.531 6.304 1.00 43.41 C ATOM 74 CG ASP A 5 -12.956 1.738 7.172 1.00 5.31 C ATOM 75 OD1 ASP A 5 -13.424 1.551 8.315 1.00 42.12 O ATOM 76 OD2 ASP A 5 -12.690 2.873 6.727 1.00 21.05 O ATOM 0 H ASP A 5 -12.594 -1.577 4.993 1.00 61.41 H new ATOM 0 HA ASP A 5 -14.486 -0.446 6.821 1.00 44.31 H new ATOM 0 HB2 ASP A 5 -11.982 -0.136 6.836 1.00 43.41 H new ATOM 0 HB3 ASP A 5 -12.143 0.856 5.401 1.00 43.41 H new ATOM 81 N ASP A 6 -14.157 1.079 3.904 1.00 51.22 N ATOM 82 CA ASP A 6 -14.845 1.766 2.813 1.00 73.03 C ATOM 83 C ASP A 6 -13.794 2.312 1.853 1.00 12.01 C ATOM 84 O ASP A 6 -12.598 2.095 2.060 1.00 41.54 O ATOM 85 CB ASP A 6 -15.739 2.906 3.327 1.00 44.41 C ATOM 86 CG ASP A 6 -16.754 3.360 2.292 1.00 64.35 C ATOM 87 OD1 ASP A 6 -17.811 2.704 2.161 1.00 65.24 O ATOM 88 OD2 ASP A 6 -16.499 4.365 1.598 1.00 11.43 O ATOM 0 H ASP A 6 -13.148 1.012 3.771 1.00 51.22 H new ATOM 0 HA ASP A 6 -15.497 1.056 2.304 1.00 73.03 H new ATOM 0 HB2 ASP A 6 -16.262 2.577 4.225 1.00 44.41 H new ATOM 0 HB3 ASP A 6 -15.115 3.752 3.614 1.00 44.41 H new ATOM 93 N TYR A 7 -14.224 3.017 0.819 1.00 74.12 N ATOM 94 CA TYR A 7 -13.304 3.597 -0.143 1.00 35.03 C ATOM 95 C TYR A 7 -13.692 5.045 -0.450 1.00 2.50 C ATOM 96 O TYR A 7 -14.338 5.334 -1.451 1.00 20.23 O ATOM 97 CB TYR A 7 -13.227 2.742 -1.425 1.00 13.43 C ATOM 98 CG TYR A 7 -14.558 2.471 -2.107 1.00 62.04 C ATOM 99 CD1 TYR A 7 -15.469 1.561 -1.581 1.00 73.45 C ATOM 100 CD2 TYR A 7 -14.891 3.114 -3.293 1.00 5.05 C ATOM 101 CE1 TYR A 7 -16.671 1.308 -2.213 1.00 55.11 C ATOM 102 CE2 TYR A 7 -16.092 2.870 -3.928 1.00 23.41 C ATOM 103 CZ TYR A 7 -16.978 1.964 -3.386 1.00 31.34 C ATOM 104 OH TYR A 7 -18.171 1.711 -4.021 1.00 65.01 O ATOM 0 H TYR A 7 -15.208 3.201 0.625 1.00 74.12 H new ATOM 0 HA TYR A 7 -12.307 3.606 0.297 1.00 35.03 H new ATOM 0 HB2 TYR A 7 -12.569 3.241 -2.136 1.00 13.43 H new ATOM 0 HB3 TYR A 7 -12.763 1.787 -1.178 1.00 13.43 H new ATOM 0 HD1 TYR A 7 -15.233 1.044 -0.663 1.00 73.45 H new ATOM 0 HD2 TYR A 7 -14.197 3.818 -3.726 1.00 5.05 H new ATOM 0 HE1 TYR A 7 -17.367 0.599 -1.790 1.00 55.11 H new ATOM 0 HE2 TYR A 7 -16.336 3.386 -4.845 1.00 23.41 H new ATOM 0 HH TYR A 7 -18.232 2.257 -4.833 1.00 65.01 H new ATOM 114 N PRO A 8 -13.317 5.978 0.439 1.00 41.35 N ATOM 115 CA PRO A 8 -13.635 7.398 0.260 1.00 22.20 C ATOM 116 C PRO A 8 -12.897 8.009 -0.928 1.00 44.35 C ATOM 117 O PRO A 8 -13.412 8.912 -1.584 1.00 11.44 O ATOM 118 CB PRO A 8 -13.178 8.053 1.569 1.00 72.44 C ATOM 119 CG PRO A 8 -12.162 7.123 2.138 1.00 63.10 C ATOM 120 CD PRO A 8 -12.575 5.724 1.687 1.00 12.12 C ATOM 0 HA PRO A 8 -14.694 7.548 0.051 1.00 22.20 H new ATOM 0 HB2 PRO A 8 -12.751 9.039 1.388 1.00 72.44 H new ATOM 0 HB3 PRO A 8 -14.015 8.189 2.254 1.00 72.44 H new ATOM 0 HG2 PRO A 8 -11.163 7.370 1.779 1.00 63.10 H new ATOM 0 HG3 PRO A 8 -12.136 7.191 3.226 1.00 63.10 H new ATOM 0 HD2 PRO A 8 -11.709 5.084 1.518 1.00 12.12 H new ATOM 0 HD3 PRO A 8 -13.197 5.228 2.432 1.00 12.12 H new ATOM 128 N GLN A 9 -11.693 7.494 -1.191 1.00 35.05 N ATOM 129 CA GLN A 9 -10.835 7.975 -2.276 1.00 32.11 C ATOM 130 C GLN A 9 -10.453 9.440 -2.058 1.00 2.40 C ATOM 131 O GLN A 9 -11.197 10.349 -2.431 1.00 73.21 O ATOM 132 CB GLN A 9 -11.526 7.794 -3.635 1.00 33.22 C ATOM 133 CG GLN A 9 -10.604 7.959 -4.836 1.00 75.00 C ATOM 134 CD GLN A 9 -9.633 6.800 -4.990 1.00 22.51 C ATOM 135 OE1 GLN A 9 -9.938 5.806 -5.644 1.00 51.33 O ATOM 136 NE2 GLN A 9 -8.448 6.931 -4.413 1.00 50.21 N ATOM 0 H GLN A 9 -11.285 6.728 -0.655 1.00 35.05 H new ATOM 0 HA GLN A 9 -9.921 7.381 -2.274 1.00 32.11 H new ATOM 0 HB2 GLN A 9 -11.976 6.802 -3.671 1.00 33.22 H new ATOM 0 HB3 GLN A 9 -12.339 8.516 -3.715 1.00 33.22 H new ATOM 0 HG2 GLN A 9 -11.205 8.048 -5.741 1.00 75.00 H new ATOM 0 HG3 GLN A 9 -10.043 8.888 -4.734 1.00 75.00 H new ATOM 0 HE21 GLN A 9 -8.232 7.772 -3.878 1.00 50.21 H new ATOM 0 HE22 GLN A 9 -7.752 6.191 -4.504 1.00 50.21 H new ATOM 145 N ALA A 10 -9.296 9.662 -1.436 1.00 72.33 N ATOM 146 CA ALA A 10 -8.819 11.016 -1.162 1.00 63.45 C ATOM 147 C ALA A 10 -8.669 11.783 -2.464 1.00 23.23 C ATOM 148 O ALA A 10 -9.503 12.615 -2.812 1.00 43.40 O ATOM 149 CB ALA A 10 -7.503 10.976 -0.399 1.00 35.12 C ATOM 0 H ALA A 10 -8.672 8.922 -1.113 1.00 72.33 H new ATOM 0 HA ALA A 10 -9.550 11.530 -0.538 1.00 63.45 H new ATOM 0 HB1 ALA A 10 -7.164 11.994 -0.204 1.00 35.12 H new ATOM 0 HB2 ALA A 10 -7.647 10.454 0.547 1.00 35.12 H new ATOM 0 HB3 ALA A 10 -6.754 10.451 -0.992 1.00 35.12 H new ATOM 155 N LYS A 11 -7.600 11.496 -3.178 1.00 44.21 N ATOM 156 CA LYS A 11 -7.476 11.906 -4.561 1.00 24.33 C ATOM 157 C LYS A 11 -7.508 10.637 -5.394 1.00 3.34 C ATOM 158 O LYS A 11 -7.363 9.547 -4.839 1.00 24.04 O ATOM 159 CB LYS A 11 -6.165 12.668 -4.795 1.00 21.45 C ATOM 160 CG LYS A 11 -5.893 13.789 -3.793 1.00 42.22 C ATOM 161 CD LYS A 11 -6.545 15.113 -4.181 1.00 22.54 C ATOM 162 CE LYS A 11 -8.061 15.057 -4.098 1.00 13.11 C ATOM 163 NZ LYS A 11 -8.680 16.380 -4.366 1.00 41.44 N ATOM 0 H LYS A 11 -6.799 10.976 -2.820 1.00 44.21 H new ATOM 0 HA LYS A 11 -8.287 12.581 -4.836 1.00 24.33 H new ATOM 0 HB2 LYS A 11 -5.337 11.960 -4.761 1.00 21.45 H new ATOM 0 HB3 LYS A 11 -6.181 13.092 -5.799 1.00 21.45 H new ATOM 0 HG2 LYS A 11 -6.257 13.486 -2.811 1.00 42.22 H new ATOM 0 HG3 LYS A 11 -4.816 13.934 -3.703 1.00 42.22 H new ATOM 0 HD2 LYS A 11 -6.177 15.902 -3.526 1.00 22.54 H new ATOM 0 HD3 LYS A 11 -6.249 15.377 -5.196 1.00 22.54 H new ATOM 0 HE2 LYS A 11 -8.437 14.328 -4.816 1.00 13.11 H new ATOM 0 HE3 LYS A 11 -8.358 14.711 -3.108 1.00 13.11 H new ATOM 0 HZ1 LYS A 11 -9.715 16.299 -4.300 1.00 41.44 H new ATOM 0 HZ2 LYS A 11 -8.341 17.070 -3.666 1.00 41.44 H new ATOM 0 HZ3 LYS A 11 -8.418 16.699 -5.321 1.00 41.44 H new ATOM 177 N ARG A 12 -7.729 10.744 -6.691 1.00 13.35 N ATOM 178 CA ARG A 12 -7.699 9.554 -7.535 1.00 10.31 C ATOM 179 C ARG A 12 -6.735 9.709 -8.706 1.00 24.22 C ATOM 180 O ARG A 12 -6.513 8.762 -9.458 1.00 54.21 O ATOM 181 CB ARG A 12 -9.096 9.198 -8.036 1.00 72.31 C ATOM 182 CG ARG A 12 -9.755 10.273 -8.873 1.00 22.43 C ATOM 183 CD ARG A 12 -11.111 9.799 -9.364 1.00 75.22 C ATOM 184 NE ARG A 12 -11.830 10.819 -10.126 1.00 72.21 N ATOM 185 CZ ARG A 12 -12.792 10.536 -11.005 1.00 30.33 C ATOM 186 NH1 ARG A 12 -13.096 9.270 -11.274 1.00 33.44 N ATOM 187 NH2 ARG A 12 -13.450 11.515 -11.609 1.00 34.44 N ATOM 0 H ARG A 12 -7.927 11.618 -7.178 1.00 13.35 H new ATOM 0 HA ARG A 12 -7.335 8.735 -6.915 1.00 10.31 H new ATOM 0 HB2 ARG A 12 -9.035 8.283 -8.625 1.00 72.31 H new ATOM 0 HB3 ARG A 12 -9.732 8.982 -7.178 1.00 72.31 H new ATOM 0 HG2 ARG A 12 -9.871 11.182 -8.284 1.00 22.43 H new ATOM 0 HG3 ARG A 12 -9.120 10.523 -9.723 1.00 22.43 H new ATOM 0 HD2 ARG A 12 -10.977 8.915 -9.987 1.00 75.22 H new ATOM 0 HD3 ARG A 12 -11.716 9.498 -8.509 1.00 75.22 H new ATOM 0 HE ARG A 12 -11.583 11.797 -9.978 1.00 72.21 H new ATOM 0 HH11 ARG A 12 -12.593 8.515 -10.808 1.00 33.44 H new ATOM 0 HH12 ARG A 12 -13.832 9.054 -11.946 1.00 33.44 H new ATOM 0 HH21 ARG A 12 -13.221 12.487 -11.402 1.00 34.44 H new ATOM 0 HH22 ARG A 12 -14.185 11.296 -12.281 1.00 34.44 H new ATOM 201 N VAL A 13 -6.165 10.895 -8.854 1.00 35.32 N ATOM 202 CA VAL A 13 -5.156 11.139 -9.882 1.00 52.35 C ATOM 203 C VAL A 13 -4.013 11.994 -9.320 1.00 10.12 C ATOM 204 O VAL A 13 -2.859 11.569 -9.346 1.00 54.34 O ATOM 205 CB VAL A 13 -5.742 11.797 -11.161 1.00 14.11 C ATOM 206 CG1 VAL A 13 -4.637 12.134 -12.151 1.00 62.32 C ATOM 207 CG2 VAL A 13 -6.770 10.888 -11.816 1.00 41.21 C ATOM 0 H VAL A 13 -6.382 11.707 -8.276 1.00 35.32 H new ATOM 0 HA VAL A 13 -4.769 10.164 -10.177 1.00 52.35 H new ATOM 0 HB VAL A 13 -6.236 12.722 -10.863 1.00 14.11 H new ATOM 0 HG11 VAL A 13 -5.072 12.594 -13.039 1.00 62.32 H new ATOM 0 HG12 VAL A 13 -3.935 12.828 -11.690 1.00 62.32 H new ATOM 0 HG13 VAL A 13 -4.112 11.222 -12.435 1.00 62.32 H new ATOM 0 HG21 VAL A 13 -7.166 11.371 -12.709 1.00 41.21 H new ATOM 0 HG22 VAL A 13 -6.298 9.945 -12.092 1.00 41.21 H new ATOM 0 HG23 VAL A 13 -7.584 10.696 -11.117 1.00 41.21 H new ATOM 217 N PRO A 14 -4.301 13.203 -8.785 1.00 61.24 N ATOM 218 CA PRO A 14 -3.262 14.052 -8.201 1.00 32.13 C ATOM 219 C PRO A 14 -2.959 13.687 -6.748 1.00 22.55 C ATOM 220 O PRO A 14 -3.195 14.477 -5.834 1.00 50.42 O ATOM 221 CB PRO A 14 -3.869 15.451 -8.287 1.00 3.00 C ATOM 222 CG PRO A 14 -5.334 15.236 -8.132 1.00 63.33 C ATOM 223 CD PRO A 14 -5.630 13.853 -8.718 1.00 33.33 C ATOM 0 HA PRO A 14 -2.309 13.950 -8.720 1.00 32.13 H new ATOM 0 HB2 PRO A 14 -3.479 16.101 -7.504 1.00 3.00 H new ATOM 0 HB3 PRO A 14 -3.637 15.926 -9.240 1.00 3.00 H new ATOM 0 HG2 PRO A 14 -5.625 15.284 -7.083 1.00 63.33 H new ATOM 0 HG3 PRO A 14 -5.898 16.009 -8.655 1.00 63.33 H new ATOM 0 HD2 PRO A 14 -6.318 13.291 -8.087 1.00 33.33 H new ATOM 0 HD3 PRO A 14 -6.089 13.927 -9.704 1.00 33.33 H new ATOM 231 N GLY A 15 -2.463 12.479 -6.540 1.00 40.50 N ATOM 232 CA GLY A 15 -2.069 12.059 -5.207 1.00 44.35 C ATOM 233 C GLY A 15 -3.080 11.121 -4.589 1.00 23.42 C ATOM 234 O GLY A 15 -3.675 11.421 -3.554 1.00 71.50 O ATOM 0 H GLY A 15 -2.325 11.779 -7.269 1.00 40.50 H new ATOM 0 HA2 GLY A 15 -1.098 11.566 -5.254 1.00 44.35 H new ATOM 0 HA3 GLY A 15 -1.951 12.936 -4.570 1.00 44.35 H new ATOM 238 N LEU A 16 -3.269 9.974 -5.218 1.00 14.54 N ATOM 239 CA LEU A 16 -4.280 9.028 -4.777 1.00 1.55 C ATOM 240 C LEU A 16 -3.669 8.038 -3.810 1.00 12.50 C ATOM 241 O LEU A 16 -2.471 8.079 -3.543 1.00 13.25 O ATOM 242 CB LEU A 16 -4.901 8.278 -5.961 1.00 63.42 C ATOM 243 CG LEU A 16 -3.934 7.432 -6.786 1.00 32.33 C ATOM 244 CD1 LEU A 16 -4.558 6.091 -7.128 1.00 1.21 C ATOM 245 CD2 LEU A 16 -3.531 8.166 -8.055 1.00 63.54 C ATOM 0 H LEU A 16 -2.736 9.675 -6.035 1.00 14.54 H new ATOM 0 HA LEU A 16 -5.071 9.589 -4.280 1.00 1.55 H new ATOM 0 HB2 LEU A 16 -5.691 7.630 -5.583 1.00 63.42 H new ATOM 0 HB3 LEU A 16 -5.374 9.005 -6.621 1.00 63.42 H new ATOM 0 HG LEU A 16 -3.039 7.256 -6.189 1.00 32.33 H new ATOM 0 HD11 LEU A 16 -3.854 5.502 -7.716 1.00 1.21 H new ATOM 0 HD12 LEU A 16 -4.799 5.557 -6.209 1.00 1.21 H new ATOM 0 HD13 LEU A 16 -5.469 6.250 -7.705 1.00 1.21 H new ATOM 0 HD21 LEU A 16 -2.842 7.547 -8.630 1.00 63.54 H new ATOM 0 HD22 LEU A 16 -4.418 8.373 -8.653 1.00 63.54 H new ATOM 0 HD23 LEU A 16 -3.044 9.105 -7.793 1.00 63.54 H new ATOM 257 N VAL A 17 -4.482 7.140 -3.293 1.00 34.14 N ATOM 258 CA VAL A 17 -3.996 6.189 -2.323 1.00 25.43 C ATOM 259 C VAL A 17 -4.866 4.941 -2.274 1.00 12.15 C ATOM 260 O VAL A 17 -6.090 5.013 -2.399 1.00 12.41 O ATOM 261 CB VAL A 17 -3.908 6.825 -0.922 1.00 54.43 C ATOM 262 CG1 VAL A 17 -5.272 7.298 -0.440 1.00 50.35 C ATOM 263 CG2 VAL A 17 -3.284 5.851 0.058 1.00 42.52 C ATOM 0 H VAL A 17 -5.471 7.051 -3.527 1.00 34.14 H new ATOM 0 HA VAL A 17 -2.996 5.893 -2.639 1.00 25.43 H new ATOM 0 HB VAL A 17 -3.268 7.705 -0.986 1.00 54.43 H new ATOM 0 HG11 VAL A 17 -5.174 7.741 0.551 1.00 50.35 H new ATOM 0 HG12 VAL A 17 -5.665 8.042 -1.133 1.00 50.35 H new ATOM 0 HG13 VAL A 17 -5.955 6.450 -0.392 1.00 50.35 H new ATOM 0 HG21 VAL A 17 -3.228 6.313 1.044 1.00 42.52 H new ATOM 0 HG22 VAL A 17 -3.894 4.950 0.114 1.00 42.52 H new ATOM 0 HG23 VAL A 17 -2.281 5.589 -0.278 1.00 42.52 H new ATOM 273 N VAL A 18 -4.211 3.801 -2.124 1.00 15.34 N ATOM 274 CA VAL A 18 -4.895 2.538 -1.931 1.00 64.23 C ATOM 275 C VAL A 18 -4.664 2.051 -0.506 1.00 53.55 C ATOM 276 O VAL A 18 -3.528 1.992 -0.033 1.00 43.34 O ATOM 277 CB VAL A 18 -4.418 1.466 -2.935 1.00 42.34 C ATOM 278 CG1 VAL A 18 -5.167 0.156 -2.733 1.00 13.03 C ATOM 279 CG2 VAL A 18 -4.584 1.960 -4.366 1.00 45.43 C ATOM 0 H VAL A 18 -3.194 3.728 -2.133 1.00 15.34 H new ATOM 0 HA VAL A 18 -5.959 2.700 -2.104 1.00 64.23 H new ATOM 0 HB VAL A 18 -3.359 1.282 -2.753 1.00 42.34 H new ATOM 0 HG11 VAL A 18 -4.811 -0.581 -3.453 1.00 13.03 H new ATOM 0 HG12 VAL A 18 -4.992 -0.211 -1.722 1.00 13.03 H new ATOM 0 HG13 VAL A 18 -6.234 0.321 -2.880 1.00 13.03 H new ATOM 0 HG21 VAL A 18 -4.242 1.191 -5.058 1.00 45.43 H new ATOM 0 HG22 VAL A 18 -5.635 2.178 -4.556 1.00 45.43 H new ATOM 0 HG23 VAL A 18 -3.994 2.865 -4.509 1.00 45.43 H new ATOM 289 N TYR A 19 -5.745 1.728 0.175 1.00 71.32 N ATOM 290 CA TYR A 19 -5.679 1.343 1.574 1.00 32.05 C ATOM 291 C TYR A 19 -5.667 -0.169 1.719 1.00 45.53 C ATOM 292 O TYR A 19 -6.163 -0.889 0.850 1.00 64.32 O ATOM 293 CB TYR A 19 -6.871 1.925 2.348 1.00 22.04 C ATOM 294 CG TYR A 19 -7.809 2.755 1.495 1.00 4.10 C ATOM 295 CD1 TYR A 19 -8.771 2.151 0.693 1.00 50.01 C ATOM 296 CD2 TYR A 19 -7.724 4.140 1.488 1.00 3.41 C ATOM 297 CE1 TYR A 19 -9.622 2.906 -0.089 1.00 31.31 C ATOM 298 CE2 TYR A 19 -8.572 4.901 0.709 1.00 62.42 C ATOM 299 CZ TYR A 19 -9.515 4.280 -0.078 1.00 1.43 C ATOM 300 OH TYR A 19 -10.361 5.036 -0.854 1.00 20.23 O ATOM 0 H TYR A 19 -6.686 1.724 -0.219 1.00 71.32 H new ATOM 0 HA TYR A 19 -4.753 1.743 1.988 1.00 32.05 H new ATOM 0 HB2 TYR A 19 -7.433 1.107 2.799 1.00 22.04 H new ATOM 0 HB3 TYR A 19 -6.496 2.542 3.164 1.00 22.04 H new ATOM 0 HD1 TYR A 19 -8.854 1.074 0.682 1.00 50.01 H new ATOM 0 HD2 TYR A 19 -6.983 4.630 2.102 1.00 3.41 H new ATOM 0 HE1 TYR A 19 -10.366 2.423 -0.705 1.00 31.31 H new ATOM 0 HE2 TYR A 19 -8.496 5.978 0.717 1.00 62.42 H new ATOM 0 HH TYR A 19 -10.970 4.446 -1.345 1.00 20.23 H new ATOM 310 N ARG A 20 -5.076 -0.645 2.807 1.00 13.35 N ATOM 311 CA ARG A 20 -5.155 -2.055 3.163 1.00 31.24 C ATOM 312 C ARG A 20 -6.624 -2.417 3.365 1.00 41.51 C ATOM 313 O ARG A 20 -7.306 -1.785 4.170 1.00 62.21 O ATOM 314 CB ARG A 20 -4.376 -2.335 4.460 1.00 60.12 C ATOM 315 CG ARG A 20 -2.995 -1.693 4.525 1.00 54.34 C ATOM 316 CD ARG A 20 -1.950 -2.453 3.721 1.00 13.24 C ATOM 317 NE ARG A 20 -1.642 -3.760 4.303 1.00 41.51 N ATOM 318 CZ ARG A 20 -0.730 -3.969 5.262 1.00 65.22 C ATOM 319 NH1 ARG A 20 -0.057 -2.953 5.796 1.00 31.11 N ATOM 320 NH2 ARG A 20 -0.498 -5.206 5.684 1.00 22.40 N ATOM 0 H ARG A 20 -4.536 -0.075 3.458 1.00 13.35 H new ATOM 0 HA ARG A 20 -4.716 -2.654 2.365 1.00 31.24 H new ATOM 0 HB2 ARG A 20 -4.966 -1.982 5.306 1.00 60.12 H new ATOM 0 HB3 ARG A 20 -4.266 -3.413 4.576 1.00 60.12 H new ATOM 0 HG2 ARG A 20 -3.058 -0.670 4.154 1.00 54.34 H new ATOM 0 HG3 ARG A 20 -2.675 -1.636 5.565 1.00 54.34 H new ATOM 0 HD2 ARG A 20 -2.308 -2.588 2.700 1.00 13.24 H new ATOM 0 HD3 ARG A 20 -1.037 -1.860 3.663 1.00 13.24 H new ATOM 0 HE ARG A 20 -2.158 -4.568 3.954 1.00 41.51 H new ATOM 0 HH11 ARG A 20 -0.233 -2.001 5.476 1.00 31.11 H new ATOM 0 HH12 ARG A 20 0.635 -3.127 6.525 1.00 31.11 H new ATOM 0 HH21 ARG A 20 -1.012 -5.988 5.279 1.00 22.40 H new ATOM 0 HH22 ARG A 20 0.195 -5.374 6.414 1.00 22.40 H new ATOM 334 N TYR A 21 -7.113 -3.401 2.617 1.00 34.25 N ATOM 335 CA TYR A 21 -8.518 -3.797 2.697 1.00 12.43 C ATOM 336 C TYR A 21 -8.888 -4.165 4.126 1.00 4.34 C ATOM 337 O TYR A 21 -8.415 -5.162 4.664 1.00 43.22 O ATOM 338 CB TYR A 21 -8.801 -4.962 1.746 1.00 14.33 C ATOM 339 CG TYR A 21 -8.612 -4.602 0.288 1.00 51.20 C ATOM 340 CD1 TYR A 21 -9.644 -4.023 -0.441 1.00 23.52 C ATOM 341 CD2 TYR A 21 -7.405 -4.835 -0.357 1.00 13.05 C ATOM 342 CE1 TYR A 21 -9.477 -3.689 -1.770 1.00 63.53 C ATOM 343 CE2 TYR A 21 -7.231 -4.503 -1.687 1.00 54.22 C ATOM 344 CZ TYR A 21 -8.269 -3.931 -2.387 1.00 42.51 C ATOM 345 OH TYR A 21 -8.102 -3.602 -3.713 1.00 45.52 O ATOM 0 H TYR A 21 -6.560 -3.939 1.950 1.00 34.25 H new ATOM 0 HA TYR A 21 -9.134 -2.951 2.393 1.00 12.43 H new ATOM 0 HB2 TYR A 21 -8.143 -5.794 1.996 1.00 14.33 H new ATOM 0 HB3 TYR A 21 -9.824 -5.307 1.899 1.00 14.33 H new ATOM 0 HD1 TYR A 21 -10.592 -3.831 0.040 1.00 23.52 H new ATOM 0 HD2 TYR A 21 -6.589 -5.283 0.190 1.00 13.05 H new ATOM 0 HE1 TYR A 21 -10.289 -3.240 -2.323 1.00 63.53 H new ATOM 0 HE2 TYR A 21 -6.286 -4.691 -2.175 1.00 54.22 H new ATOM 0 HH TYR A 21 -8.668 -2.833 -3.933 1.00 45.52 H new ATOM 355 N ASP A 22 -9.728 -3.338 4.736 1.00 54.44 N ATOM 356 CA ASP A 22 -10.025 -3.453 6.161 1.00 12.44 C ATOM 357 C ASP A 22 -11.087 -4.517 6.423 1.00 24.42 C ATOM 358 O ASP A 22 -12.208 -4.211 6.821 1.00 51.32 O ATOM 359 CB ASP A 22 -10.476 -2.104 6.718 1.00 75.25 C ATOM 360 CG ASP A 22 -10.243 -1.985 8.210 1.00 40.10 C ATOM 361 OD1 ASP A 22 -9.098 -1.681 8.602 1.00 0.02 O ATOM 362 OD2 ASP A 22 -11.196 -2.184 8.995 1.00 3.31 O ATOM 0 H ASP A 22 -10.218 -2.577 4.265 1.00 54.44 H new ATOM 0 HA ASP A 22 -9.112 -3.760 6.671 1.00 12.44 H new ATOM 0 HB2 ASP A 22 -9.940 -1.305 6.205 1.00 75.25 H new ATOM 0 HB3 ASP A 22 -11.536 -1.963 6.507 1.00 75.25 H new ATOM 367 N ALA A 23 -10.703 -5.760 6.174 1.00 52.31 N ATOM 368 CA ALA A 23 -11.538 -6.934 6.399 1.00 1.20 C ATOM 369 C ALA A 23 -10.782 -8.161 5.920 1.00 50.34 C ATOM 370 O ALA A 23 -10.161 -8.120 4.861 1.00 72.33 O ATOM 371 CB ALA A 23 -12.872 -6.838 5.684 1.00 72.10 C ATOM 0 H ALA A 23 -9.781 -5.987 5.801 1.00 52.31 H new ATOM 0 HA ALA A 23 -11.754 -7.003 7.465 1.00 1.20 H new ATOM 0 HB1 ALA A 23 -13.457 -7.736 5.883 1.00 72.10 H new ATOM 0 HB2 ALA A 23 -13.415 -5.964 6.043 1.00 72.10 H new ATOM 0 HB3 ALA A 23 -12.704 -6.745 4.611 1.00 72.10 H new ATOM 377 N PRO A 24 -10.789 -9.245 6.709 1.00 32.42 N ATOM 378 CA PRO A 24 -10.007 -10.457 6.413 1.00 11.21 C ATOM 379 C PRO A 24 -10.260 -11.024 5.021 1.00 24.42 C ATOM 380 O PRO A 24 -11.250 -11.725 4.788 1.00 22.30 O ATOM 381 CB PRO A 24 -10.454 -11.451 7.488 1.00 2.23 C ATOM 382 CG PRO A 24 -10.878 -10.587 8.619 1.00 75.14 C ATOM 383 CD PRO A 24 -11.544 -9.381 7.967 1.00 60.51 C ATOM 0 HA PRO A 24 -8.938 -10.243 6.424 1.00 11.21 H new ATOM 0 HB2 PRO A 24 -11.273 -12.079 7.136 1.00 2.23 H new ATOM 0 HB3 PRO A 24 -9.642 -12.118 7.777 1.00 2.23 H new ATOM 0 HG2 PRO A 24 -11.570 -11.111 9.278 1.00 75.14 H new ATOM 0 HG3 PRO A 24 -10.025 -10.286 9.227 1.00 75.14 H new ATOM 0 HD2 PRO A 24 -12.606 -9.551 7.787 1.00 60.51 H new ATOM 0 HD3 PRO A 24 -11.464 -8.488 8.587 1.00 60.51 H new ATOM 391 N LEU A 25 -9.376 -10.690 4.091 1.00 24.23 N ATOM 392 CA LEU A 25 -9.408 -11.291 2.771 1.00 64.43 C ATOM 393 C LEU A 25 -8.190 -12.179 2.582 1.00 34.30 C ATOM 394 O LEU A 25 -8.103 -12.941 1.617 1.00 12.41 O ATOM 395 CB LEU A 25 -9.555 -10.237 1.635 1.00 33.14 C ATOM 396 CG LEU A 25 -8.360 -9.308 1.289 1.00 4.14 C ATOM 397 CD1 LEU A 25 -7.771 -8.632 2.515 1.00 21.51 C ATOM 398 CD2 LEU A 25 -7.280 -10.044 0.506 1.00 23.22 C ATOM 0 H LEU A 25 -8.631 -10.007 4.229 1.00 24.23 H new ATOM 0 HA LEU A 25 -10.301 -11.912 2.703 1.00 64.43 H new ATOM 0 HB2 LEU A 25 -9.824 -10.774 0.725 1.00 33.14 H new ATOM 0 HB3 LEU A 25 -10.401 -9.599 1.890 1.00 33.14 H new ATOM 0 HG LEU A 25 -8.764 -8.522 0.651 1.00 4.14 H new ATOM 0 HD11 LEU A 25 -6.939 -7.995 2.215 1.00 21.51 H new ATOM 0 HD12 LEU A 25 -8.536 -8.026 2.999 1.00 21.51 H new ATOM 0 HD13 LEU A 25 -7.414 -9.390 3.212 1.00 21.51 H new ATOM 0 HD21 LEU A 25 -6.462 -9.359 0.283 1.00 23.22 H new ATOM 0 HD22 LEU A 25 -6.905 -10.878 1.099 1.00 23.22 H new ATOM 0 HD23 LEU A 25 -7.700 -10.422 -0.426 1.00 23.22 H new ATOM 410 N CYS A 26 -7.260 -12.077 3.531 1.00 62.53 N ATOM 411 CA CYS A 26 -6.093 -12.946 3.572 1.00 71.54 C ATOM 412 C CYS A 26 -5.219 -12.749 2.334 1.00 52.50 C ATOM 413 O CYS A 26 -4.624 -11.685 2.161 1.00 51.43 O ATOM 414 CB CYS A 26 -6.533 -14.413 3.714 1.00 32.20 C ATOM 415 SG CYS A 26 -5.179 -15.600 3.897 1.00 14.21 S ATOM 0 H CYS A 26 -7.297 -11.393 4.287 1.00 62.53 H new ATOM 0 HA CYS A 26 -5.492 -12.680 4.441 1.00 71.54 H new ATOM 0 HB2 CYS A 26 -7.191 -14.498 4.579 1.00 32.20 H new ATOM 0 HB3 CYS A 26 -7.121 -14.687 2.838 1.00 32.20 H new ATOM 0 HG CYS A 26 -5.666 -16.800 4.010 1.00 14.21 H new ATOM 421 N PHE A 27 -5.165 -13.770 1.477 1.00 3.51 N ATOM 422 CA PHE A 27 -4.337 -13.738 0.278 1.00 75.53 C ATOM 423 C PHE A 27 -4.746 -14.859 -0.691 1.00 50.33 C ATOM 424 O PHE A 27 -4.135 -15.040 -1.741 1.00 11.13 O ATOM 425 CB PHE A 27 -2.856 -13.848 0.684 1.00 31.14 C ATOM 426 CG PHE A 27 -1.880 -14.047 -0.447 1.00 40.20 C ATOM 427 CD1 PHE A 27 -1.604 -13.023 -1.337 1.00 14.43 C ATOM 428 CD2 PHE A 27 -1.239 -15.265 -0.612 1.00 33.11 C ATOM 429 CE1 PHE A 27 -0.707 -13.212 -2.371 1.00 64.15 C ATOM 430 CE2 PHE A 27 -0.342 -15.458 -1.644 1.00 21.30 C ATOM 431 CZ PHE A 27 -0.076 -14.430 -2.527 1.00 61.21 C ATOM 0 H PHE A 27 -5.692 -14.635 1.596 1.00 3.51 H new ATOM 0 HA PHE A 27 -4.484 -12.793 -0.246 1.00 75.53 H new ATOM 0 HB2 PHE A 27 -2.578 -12.943 1.224 1.00 31.14 H new ATOM 0 HB3 PHE A 27 -2.750 -14.679 1.381 1.00 31.14 H new ATOM 0 HD1 PHE A 27 -2.094 -12.068 -1.222 1.00 14.43 H new ATOM 0 HD2 PHE A 27 -1.444 -16.073 0.075 1.00 33.11 H new ATOM 0 HE1 PHE A 27 -0.499 -12.405 -3.058 1.00 64.15 H new ATOM 0 HE2 PHE A 27 0.151 -16.412 -1.760 1.00 21.30 H new ATOM 0 HZ PHE A 27 0.623 -14.578 -3.337 1.00 61.21 H new ATOM 441 N ALA A 28 -5.837 -15.552 -0.357 1.00 22.13 N ATOM 442 CA ALA A 28 -6.286 -16.733 -1.104 1.00 34.30 C ATOM 443 C ALA A 28 -6.294 -16.496 -2.614 1.00 1.53 C ATOM 444 O ALA A 28 -5.657 -17.227 -3.373 1.00 70.13 O ATOM 445 CB ALA A 28 -7.674 -17.142 -0.637 1.00 3.21 C ATOM 0 H ALA A 28 -6.433 -15.313 0.435 1.00 22.13 H new ATOM 0 HA ALA A 28 -5.575 -17.535 -0.905 1.00 34.30 H new ATOM 0 HB1 ALA A 28 -8.002 -18.019 -1.195 1.00 3.21 H new ATOM 0 HB2 ALA A 28 -7.645 -17.379 0.427 1.00 3.21 H new ATOM 0 HB3 ALA A 28 -8.372 -16.322 -0.807 1.00 3.21 H new ATOM 451 N ASN A 29 -7.014 -15.472 -3.037 1.00 40.11 N ATOM 452 CA ASN A 29 -7.083 -15.107 -4.448 1.00 32.43 C ATOM 453 C ASN A 29 -6.453 -13.740 -4.660 1.00 72.30 C ATOM 454 O ASN A 29 -6.569 -13.143 -5.732 1.00 73.14 O ATOM 455 CB ASN A 29 -8.541 -15.085 -4.926 1.00 1.22 C ATOM 456 CG ASN A 29 -9.384 -14.041 -4.209 1.00 25.32 C ATOM 457 OD1 ASN A 29 -9.137 -13.707 -3.048 1.00 71.33 O ATOM 458 ND2 ASN A 29 -10.389 -13.521 -4.892 1.00 22.43 N ATOM 0 H ASN A 29 -7.564 -14.873 -2.422 1.00 40.11 H new ATOM 0 HA ASN A 29 -6.535 -15.851 -5.027 1.00 32.43 H new ATOM 0 HB2 ASN A 29 -8.564 -14.889 -5.998 1.00 1.22 H new ATOM 0 HB3 ASN A 29 -8.983 -16.069 -4.773 1.00 1.22 H new ATOM 0 HD21 ASN A 29 -10.990 -12.819 -4.460 1.00 22.43 H new ATOM 0 HD22 ASN A 29 -10.563 -13.821 -5.851 1.00 22.43 H new ATOM 465 N ALA A 30 -5.739 -13.277 -3.642 1.00 2.43 N ATOM 466 CA ALA A 30 -5.254 -11.905 -3.606 1.00 73.24 C ATOM 467 C ALA A 30 -4.072 -11.673 -4.537 1.00 64.42 C ATOM 468 O ALA A 30 -3.590 -10.553 -4.641 1.00 25.21 O ATOM 469 CB ALA A 30 -4.891 -11.501 -2.187 1.00 34.40 C ATOM 0 H ALA A 30 -5.483 -13.835 -2.827 1.00 2.43 H new ATOM 0 HA ALA A 30 -6.071 -11.277 -3.962 1.00 73.24 H new ATOM 0 HB1 ALA A 30 -4.531 -10.472 -2.182 1.00 34.40 H new ATOM 0 HB2 ALA A 30 -5.772 -11.580 -1.550 1.00 34.40 H new ATOM 0 HB3 ALA A 30 -4.110 -12.161 -1.809 1.00 34.40 H new ATOM 475 N GLU A 31 -3.597 -12.714 -5.204 1.00 3.13 N ATOM 476 CA GLU A 31 -2.545 -12.541 -6.198 1.00 23.04 C ATOM 477 C GLU A 31 -3.090 -11.735 -7.375 1.00 4.23 C ATOM 478 O GLU A 31 -2.780 -10.546 -7.537 1.00 53.22 O ATOM 479 CB GLU A 31 -2.030 -13.896 -6.694 1.00 3.11 C ATOM 480 CG GLU A 31 -0.849 -13.782 -7.649 1.00 30.33 C ATOM 481 CD GLU A 31 -0.588 -15.059 -8.421 1.00 61.51 C ATOM 482 OE1 GLU A 31 -0.163 -16.059 -7.806 1.00 3.54 O ATOM 483 OE2 GLU A 31 -0.795 -15.065 -9.653 1.00 55.21 O ATOM 0 H GLU A 31 -3.916 -13.675 -5.079 1.00 3.13 H new ATOM 0 HA GLU A 31 -1.714 -12.009 -5.736 1.00 23.04 H new ATOM 0 HB2 GLU A 31 -1.737 -14.501 -5.836 1.00 3.11 H new ATOM 0 HB3 GLU A 31 -2.842 -14.424 -7.194 1.00 3.11 H new ATOM 0 HG2 GLU A 31 -1.034 -12.970 -8.352 1.00 30.33 H new ATOM 0 HG3 GLU A 31 0.044 -13.516 -7.084 1.00 30.33 H new ATOM 490 N ASP A 32 -3.938 -12.389 -8.166 1.00 12.33 N ATOM 491 CA ASP A 32 -4.585 -11.753 -9.302 1.00 32.12 C ATOM 492 C ASP A 32 -5.408 -10.567 -8.840 1.00 2.32 C ATOM 493 O ASP A 32 -5.318 -9.485 -9.408 1.00 23.31 O ATOM 494 CB ASP A 32 -5.483 -12.751 -10.036 1.00 34.23 C ATOM 495 CG ASP A 32 -6.258 -12.103 -11.168 1.00 44.34 C ATOM 496 OD1 ASP A 32 -5.645 -11.798 -12.209 1.00 1.02 O ATOM 497 OD2 ASP A 32 -7.486 -11.900 -11.020 1.00 32.44 O ATOM 0 H ASP A 32 -4.192 -13.368 -8.036 1.00 12.33 H new ATOM 0 HA ASP A 32 -3.811 -11.406 -9.987 1.00 32.12 H new ATOM 0 HB2 ASP A 32 -4.872 -13.562 -10.434 1.00 34.23 H new ATOM 0 HB3 ASP A 32 -6.182 -13.196 -9.328 1.00 34.23 H new ATOM 502 N PHE A 33 -6.180 -10.784 -7.783 1.00 33.32 N ATOM 503 CA PHE A 33 -7.051 -9.755 -7.231 1.00 43.33 C ATOM 504 C PHE A 33 -6.296 -8.456 -6.952 1.00 3.52 C ATOM 505 O PHE A 33 -6.677 -7.395 -7.450 1.00 4.24 O ATOM 506 CB PHE A 33 -7.719 -10.274 -5.951 1.00 71.12 C ATOM 507 CG PHE A 33 -8.253 -9.186 -5.066 1.00 13.13 C ATOM 508 CD1 PHE A 33 -9.284 -8.369 -5.504 1.00 10.13 C ATOM 509 CD2 PHE A 33 -7.704 -8.956 -3.808 1.00 31.12 C ATOM 510 CE1 PHE A 33 -9.763 -7.350 -4.709 1.00 40.53 C ATOM 511 CE2 PHE A 33 -8.180 -7.931 -3.012 1.00 32.21 C ATOM 512 CZ PHE A 33 -9.210 -7.129 -3.466 1.00 43.01 C ATOM 0 H PHE A 33 -6.220 -11.674 -7.286 1.00 33.32 H new ATOM 0 HA PHE A 33 -7.816 -9.528 -7.974 1.00 43.33 H new ATOM 0 HB2 PHE A 33 -8.536 -10.943 -6.223 1.00 71.12 H new ATOM 0 HB3 PHE A 33 -6.997 -10.866 -5.389 1.00 71.12 H new ATOM 0 HD1 PHE A 33 -9.717 -8.533 -6.480 1.00 10.13 H new ATOM 0 HD2 PHE A 33 -6.900 -9.583 -3.451 1.00 31.12 H new ATOM 0 HE1 PHE A 33 -10.571 -6.725 -5.060 1.00 40.53 H new ATOM 0 HE2 PHE A 33 -7.748 -7.757 -2.038 1.00 32.21 H new ATOM 0 HZ PHE A 33 -9.582 -6.327 -2.845 1.00 43.01 H new ATOM 522 N ARG A 34 -5.216 -8.543 -6.181 1.00 2.21 N ATOM 523 CA ARG A 34 -4.484 -7.351 -5.770 1.00 53.44 C ATOM 524 C ARG A 34 -3.934 -6.613 -6.975 1.00 0.03 C ATOM 525 O ARG A 34 -4.203 -5.428 -7.164 1.00 15.04 O ATOM 526 CB ARG A 34 -3.325 -7.706 -4.842 1.00 53.25 C ATOM 527 CG ARG A 34 -2.677 -6.492 -4.201 1.00 53.03 C ATOM 528 CD ARG A 34 -3.345 -6.149 -2.873 1.00 13.41 C ATOM 529 NE ARG A 34 -3.242 -7.254 -1.909 1.00 33.55 N ATOM 530 CZ ARG A 34 -3.591 -7.171 -0.617 1.00 41.12 C ATOM 531 NH1 ARG A 34 -4.092 -6.047 -0.124 1.00 75.42 N ATOM 532 NH2 ARG A 34 -3.444 -8.217 0.190 1.00 3.33 N ATOM 0 H ARG A 34 -4.831 -9.420 -5.831 1.00 2.21 H new ATOM 0 HA ARG A 34 -5.188 -6.711 -5.238 1.00 53.44 H new ATOM 0 HB2 ARG A 34 -3.686 -8.373 -4.059 1.00 53.25 H new ATOM 0 HB3 ARG A 34 -2.572 -8.256 -5.406 1.00 53.25 H new ATOM 0 HG2 ARG A 34 -1.617 -6.685 -4.039 1.00 53.03 H new ATOM 0 HG3 ARG A 34 -2.746 -5.640 -4.877 1.00 53.03 H new ATOM 0 HD2 ARG A 34 -2.882 -5.256 -2.453 1.00 13.41 H new ATOM 0 HD3 ARG A 34 -4.395 -5.913 -3.045 1.00 13.41 H new ATOM 0 HE ARG A 34 -2.880 -8.146 -2.246 1.00 33.55 H new ATOM 0 HH11 ARG A 34 -4.215 -5.235 -0.729 1.00 75.42 H new ATOM 0 HH12 ARG A 34 -4.354 -5.994 0.860 1.00 75.42 H new ATOM 0 HH21 ARG A 34 -3.063 -9.091 -0.172 1.00 3.33 H new ATOM 0 HH22 ARG A 34 -3.712 -8.145 1.172 1.00 3.33 H new ATOM 546 N ARG A 35 -3.171 -7.323 -7.796 1.00 44.53 N ATOM 547 CA ARG A 35 -2.507 -6.687 -8.918 1.00 25.42 C ATOM 548 C ARG A 35 -3.527 -6.142 -9.910 1.00 70.33 C ATOM 549 O ARG A 35 -3.322 -5.081 -10.481 1.00 63.25 O ATOM 550 CB ARG A 35 -1.517 -7.654 -9.593 1.00 63.11 C ATOM 551 CG ARG A 35 -2.143 -8.907 -10.195 1.00 50.24 C ATOM 552 CD ARG A 35 -2.570 -8.691 -11.637 1.00 23.43 C ATOM 553 NE ARG A 35 -3.222 -9.873 -12.194 1.00 75.14 N ATOM 554 CZ ARG A 35 -2.763 -10.555 -13.240 1.00 4.13 C ATOM 555 NH1 ARG A 35 -1.649 -10.174 -13.859 1.00 63.11 N ATOM 556 NH2 ARG A 35 -3.422 -11.621 -13.666 1.00 42.22 N ATOM 0 H ARG A 35 -3.000 -8.325 -7.706 1.00 44.53 H new ATOM 0 HA ARG A 35 -1.930 -5.842 -8.541 1.00 25.42 H new ATOM 0 HB2 ARG A 35 -0.989 -7.117 -10.381 1.00 63.11 H new ATOM 0 HB3 ARG A 35 -0.771 -7.957 -8.858 1.00 63.11 H new ATOM 0 HG2 ARG A 35 -1.428 -9.729 -10.147 1.00 50.24 H new ATOM 0 HG3 ARG A 35 -3.008 -9.202 -9.601 1.00 50.24 H new ATOM 0 HD2 ARG A 35 -3.251 -7.841 -11.691 1.00 23.43 H new ATOM 0 HD3 ARG A 35 -1.698 -8.439 -12.240 1.00 23.43 H new ATOM 0 HE ARG A 35 -4.083 -10.196 -11.753 1.00 75.14 H new ATOM 0 HH11 ARG A 35 -1.139 -9.353 -13.532 1.00 63.11 H new ATOM 0 HH12 ARG A 35 -1.304 -10.703 -14.660 1.00 63.11 H new ATOM 0 HH21 ARG A 35 -4.276 -11.915 -13.193 1.00 42.22 H new ATOM 0 HH22 ARG A 35 -3.075 -12.148 -14.467 1.00 42.22 H new ATOM 570 N ARG A 36 -4.645 -6.844 -10.068 1.00 3.34 N ATOM 571 CA ARG A 36 -5.647 -6.475 -11.061 1.00 63.34 C ATOM 572 C ARG A 36 -6.428 -5.242 -10.621 1.00 50.10 C ATOM 573 O ARG A 36 -6.477 -4.242 -11.340 1.00 72.34 O ATOM 574 CB ARG A 36 -6.603 -7.646 -11.304 1.00 31.34 C ATOM 575 CG ARG A 36 -7.314 -7.603 -12.648 1.00 55.04 C ATOM 576 CD ARG A 36 -6.322 -7.688 -13.798 1.00 41.43 C ATOM 577 NE ARG A 36 -6.984 -7.835 -15.091 1.00 13.15 N ATOM 578 CZ ARG A 36 -6.636 -7.163 -16.190 1.00 55.45 C ATOM 579 NH1 ARG A 36 -5.635 -6.291 -16.157 1.00 12.10 N ATOM 580 NH2 ARG A 36 -7.277 -7.379 -17.330 1.00 20.01 N ATOM 0 H ARG A 36 -4.880 -7.672 -9.520 1.00 3.34 H new ATOM 0 HA ARG A 36 -5.131 -6.235 -11.991 1.00 63.34 H new ATOM 0 HB2 ARG A 36 -6.043 -8.578 -11.232 1.00 31.34 H new ATOM 0 HB3 ARG A 36 -7.350 -7.661 -10.511 1.00 31.34 H new ATOM 0 HG2 ARG A 36 -8.023 -8.428 -12.714 1.00 55.04 H new ATOM 0 HG3 ARG A 36 -7.890 -6.681 -12.728 1.00 55.04 H new ATOM 0 HD2 ARG A 36 -5.704 -6.790 -13.809 1.00 41.43 H new ATOM 0 HD3 ARG A 36 -5.653 -8.534 -13.636 1.00 41.43 H new ATOM 0 HE ARG A 36 -7.761 -8.492 -15.158 1.00 13.15 H new ATOM 0 HH11 ARG A 36 -5.126 -6.131 -15.287 1.00 12.10 H new ATOM 0 HH12 ARG A 36 -5.375 -5.781 -17.001 1.00 12.10 H new ATOM 0 HH21 ARG A 36 -8.036 -8.059 -17.367 1.00 20.01 H new ATOM 0 HH22 ARG A 36 -7.011 -6.865 -18.170 1.00 20.01 H new ATOM 594 N ALA A 37 -7.023 -5.306 -9.430 1.00 20.15 N ATOM 595 CA ALA A 37 -7.864 -4.219 -8.939 1.00 21.35 C ATOM 596 C ALA A 37 -7.079 -2.917 -8.824 1.00 33.15 C ATOM 597 O ALA A 37 -7.527 -1.864 -9.281 1.00 2.12 O ATOM 598 CB ALA A 37 -8.469 -4.587 -7.596 1.00 54.42 C ATOM 0 H ALA A 37 -6.938 -6.096 -8.791 1.00 20.15 H new ATOM 0 HA ALA A 37 -8.666 -4.065 -9.661 1.00 21.35 H new ATOM 0 HB1 ALA A 37 -9.094 -3.767 -7.242 1.00 54.42 H new ATOM 0 HB2 ALA A 37 -9.076 -5.486 -7.705 1.00 54.42 H new ATOM 0 HB3 ALA A 37 -7.672 -4.773 -6.876 1.00 54.42 H new ATOM 604 N LEU A 38 -5.897 -2.995 -8.237 1.00 45.34 N ATOM 605 CA LEU A 38 -5.080 -1.808 -8.018 1.00 34.30 C ATOM 606 C LEU A 38 -4.559 -1.241 -9.337 1.00 4.11 C ATOM 607 O LEU A 38 -4.629 -0.034 -9.581 1.00 33.20 O ATOM 608 CB LEU A 38 -3.910 -2.115 -7.073 1.00 12.34 C ATOM 609 CG LEU A 38 -4.245 -2.122 -5.572 1.00 54.31 C ATOM 610 CD1 LEU A 38 -5.285 -3.180 -5.241 1.00 24.11 C ATOM 611 CD2 LEU A 38 -2.986 -2.350 -4.754 1.00 0.01 C ATOM 0 H LEU A 38 -5.480 -3.864 -7.903 1.00 45.34 H new ATOM 0 HA LEU A 38 -5.715 -1.055 -7.552 1.00 34.30 H new ATOM 0 HB2 LEU A 38 -3.499 -3.089 -7.339 1.00 12.34 H new ATOM 0 HB3 LEU A 38 -3.125 -1.380 -7.247 1.00 12.34 H new ATOM 0 HG LEU A 38 -4.664 -1.149 -5.318 1.00 54.31 H new ATOM 0 HD11 LEU A 38 -5.499 -3.158 -4.172 1.00 24.11 H new ATOM 0 HD12 LEU A 38 -6.200 -2.978 -5.798 1.00 24.11 H new ATOM 0 HD13 LEU A 38 -4.903 -4.164 -5.515 1.00 24.11 H new ATOM 0 HD21 LEU A 38 -3.237 -2.353 -3.693 1.00 0.01 H new ATOM 0 HD22 LEU A 38 -2.545 -3.309 -5.025 1.00 0.01 H new ATOM 0 HD23 LEU A 38 -2.271 -1.552 -4.956 1.00 0.01 H new ATOM 623 N THR A 39 -4.063 -2.105 -10.208 1.00 31.53 N ATOM 624 CA THR A 39 -3.466 -1.643 -11.449 1.00 15.00 C ATOM 625 C THR A 39 -4.509 -0.976 -12.342 1.00 4.30 C ATOM 626 O THR A 39 -4.180 -0.096 -13.137 1.00 51.43 O ATOM 627 CB THR A 39 -2.759 -2.787 -12.213 1.00 34.31 C ATOM 628 OG1 THR A 39 -1.784 -2.244 -13.115 1.00 30.12 O ATOM 629 CG2 THR A 39 -3.751 -3.638 -12.993 1.00 4.43 C ATOM 0 H THR A 39 -4.062 -3.117 -10.081 1.00 31.53 H new ATOM 0 HA THR A 39 -2.709 -0.906 -11.182 1.00 15.00 H new ATOM 0 HB THR A 39 -2.270 -3.424 -11.476 1.00 34.31 H new ATOM 0 HG1 THR A 39 -1.339 -2.974 -13.594 1.00 30.12 H new ATOM 0 HG21 THR A 39 -3.217 -4.431 -13.517 1.00 4.43 H new ATOM 0 HG22 THR A 39 -4.472 -4.079 -12.305 1.00 4.43 H new ATOM 0 HG23 THR A 39 -4.275 -3.014 -13.717 1.00 4.43 H new ATOM 637 N VAL A 40 -5.774 -1.364 -12.184 1.00 0.42 N ATOM 638 CA VAL A 40 -6.825 -0.821 -13.022 1.00 65.22 C ATOM 639 C VAL A 40 -7.447 0.438 -12.406 1.00 53.54 C ATOM 640 O VAL A 40 -8.066 1.237 -13.105 1.00 52.13 O ATOM 641 CB VAL A 40 -7.910 -1.877 -13.324 1.00 75.24 C ATOM 642 CG1 VAL A 40 -8.818 -2.107 -12.123 1.00 5.50 C ATOM 643 CG2 VAL A 40 -8.710 -1.487 -14.563 1.00 13.34 C ATOM 0 H VAL A 40 -6.086 -2.044 -11.491 1.00 0.42 H new ATOM 0 HA VAL A 40 -6.363 -0.535 -13.967 1.00 65.22 H new ATOM 0 HB VAL A 40 -7.409 -2.823 -13.530 1.00 75.24 H new ATOM 0 HG11 VAL A 40 -9.569 -2.856 -12.373 1.00 5.50 H new ATOM 0 HG12 VAL A 40 -8.223 -2.457 -11.279 1.00 5.50 H new ATOM 0 HG13 VAL A 40 -9.312 -1.173 -11.856 1.00 5.50 H new ATOM 0 HG21 VAL A 40 -9.469 -2.244 -14.759 1.00 13.34 H new ATOM 0 HG22 VAL A 40 -9.192 -0.524 -14.396 1.00 13.34 H new ATOM 0 HG23 VAL A 40 -8.041 -1.414 -15.420 1.00 13.34 H new ATOM 653 N VAL A 41 -7.282 0.617 -11.095 1.00 0.03 N ATOM 654 CA VAL A 41 -7.595 1.907 -10.483 1.00 71.34 C ATOM 655 C VAL A 41 -6.383 2.815 -10.635 1.00 23.32 C ATOM 656 O VAL A 41 -6.370 3.952 -10.158 1.00 60.31 O ATOM 657 CB VAL A 41 -8.009 1.803 -8.992 1.00 3.33 C ATOM 658 CG1 VAL A 41 -9.219 0.895 -8.835 1.00 10.53 C ATOM 659 CG2 VAL A 41 -6.858 1.323 -8.121 1.00 23.21 C ATOM 0 H VAL A 41 -6.942 -0.096 -10.450 1.00 0.03 H new ATOM 0 HA VAL A 41 -8.462 2.319 -10.999 1.00 71.34 H new ATOM 0 HB VAL A 41 -8.279 2.804 -8.654 1.00 3.33 H new ATOM 0 HG11 VAL A 41 -9.494 0.835 -7.782 1.00 10.53 H new ATOM 0 HG12 VAL A 41 -10.054 1.300 -9.406 1.00 10.53 H new ATOM 0 HG13 VAL A 41 -8.977 -0.101 -9.204 1.00 10.53 H new ATOM 0 HG21 VAL A 41 -7.187 1.263 -7.084 1.00 23.21 H new ATOM 0 HG22 VAL A 41 -6.534 0.338 -8.456 1.00 23.21 H new ATOM 0 HG23 VAL A 41 -6.027 2.024 -8.198 1.00 23.21 H new ATOM 669 N ASP A 42 -5.363 2.247 -11.286 1.00 62.12 N ATOM 670 CA ASP A 42 -4.186 2.965 -11.781 1.00 45.14 C ATOM 671 C ASP A 42 -3.058 2.971 -10.768 1.00 51.54 C ATOM 672 O ASP A 42 -2.708 4.007 -10.206 1.00 20.35 O ATOM 673 CB ASP A 42 -4.506 4.391 -12.260 1.00 53.42 C ATOM 674 CG ASP A 42 -5.245 4.410 -13.585 1.00 12.42 C ATOM 675 OD1 ASP A 42 -4.653 4.002 -14.605 1.00 13.43 O ATOM 676 OD2 ASP A 42 -6.419 4.842 -13.620 1.00 1.12 O ATOM 0 H ASP A 42 -5.333 1.248 -11.488 1.00 62.12 H new ATOM 0 HA ASP A 42 -3.849 2.409 -12.656 1.00 45.14 H new ATOM 0 HB2 ASP A 42 -5.108 4.897 -11.505 1.00 53.42 H new ATOM 0 HB3 ASP A 42 -3.578 4.954 -12.358 1.00 53.42 H new ATOM 681 N GLN A 43 -2.500 1.790 -10.528 1.00 65.12 N ATOM 682 CA GLN A 43 -1.301 1.671 -9.715 1.00 63.31 C ATOM 683 C GLN A 43 -0.084 1.576 -10.628 1.00 51.42 C ATOM 684 O GLN A 43 1.038 1.869 -10.220 1.00 30.11 O ATOM 685 CB GLN A 43 -1.376 0.453 -8.782 1.00 21.35 C ATOM 686 CG GLN A 43 -0.931 -0.860 -9.409 1.00 31.42 C ATOM 687 CD GLN A 43 -0.741 -1.954 -8.373 1.00 71.24 C ATOM 688 OE1 GLN A 43 -0.445 -1.681 -7.210 1.00 64.33 O ATOM 689 NE2 GLN A 43 -0.869 -3.203 -8.791 1.00 54.11 N ATOM 0 H GLN A 43 -2.859 0.905 -10.885 1.00 65.12 H new ATOM 0 HA GLN A 43 -1.215 2.556 -9.085 1.00 63.31 H new ATOM 0 HB2 GLN A 43 -0.760 0.647 -7.904 1.00 21.35 H new ATOM 0 HB3 GLN A 43 -2.403 0.343 -8.433 1.00 21.35 H new ATOM 0 HG2 GLN A 43 -1.672 -1.180 -10.142 1.00 31.42 H new ATOM 0 HG3 GLN A 43 0.004 -0.705 -9.947 1.00 31.42 H new ATOM 0 HE21 GLN A 43 -1.116 -3.393 -9.762 1.00 54.11 H new ATOM 0 HE22 GLN A 43 -0.721 -3.976 -8.142 1.00 54.11 H new ATOM 698 N ASP A 44 -0.323 1.175 -11.879 1.00 31.33 N ATOM 699 CA ASP A 44 0.736 1.117 -12.883 1.00 62.30 C ATOM 700 C ASP A 44 0.253 1.658 -14.236 1.00 12.24 C ATOM 701 O ASP A 44 0.111 0.915 -15.205 1.00 54.12 O ATOM 702 CB ASP A 44 1.259 -0.318 -13.040 1.00 15.24 C ATOM 703 CG ASP A 44 2.338 -0.440 -14.106 1.00 71.31 C ATOM 704 OD1 ASP A 44 3.221 0.441 -14.179 1.00 33.20 O ATOM 705 OD2 ASP A 44 2.307 -1.425 -14.875 1.00 55.44 O ATOM 0 H ASP A 44 -1.241 0.886 -12.218 1.00 31.33 H new ATOM 0 HA ASP A 44 1.553 1.751 -12.537 1.00 62.30 H new ATOM 0 HB2 ASP A 44 1.658 -0.661 -12.085 1.00 15.24 H new ATOM 0 HB3 ASP A 44 0.428 -0.977 -13.293 1.00 15.24 H new ATOM 710 N PRO A 45 -0.070 2.961 -14.307 1.00 31.25 N ATOM 711 CA PRO A 45 -0.338 3.639 -15.572 1.00 63.23 C ATOM 712 C PRO A 45 0.922 4.291 -16.135 1.00 23.12 C ATOM 713 O PRO A 45 0.856 5.290 -16.854 1.00 21.32 O ATOM 714 CB PRO A 45 -1.355 4.701 -15.166 1.00 33.13 C ATOM 715 CG PRO A 45 -0.945 5.099 -13.789 1.00 24.50 C ATOM 716 CD PRO A 45 -0.274 3.867 -13.163 1.00 1.11 C ATOM 0 HA PRO A 45 -0.688 2.965 -16.353 1.00 63.23 H new ATOM 0 HB2 PRO A 45 -1.336 5.551 -15.848 1.00 33.13 H new ATOM 0 HB3 PRO A 45 -2.370 4.305 -15.179 1.00 33.13 H new ATOM 0 HG2 PRO A 45 -0.257 5.944 -13.818 1.00 24.50 H new ATOM 0 HG3 PRO A 45 -1.808 5.411 -13.202 1.00 24.50 H new ATOM 0 HD2 PRO A 45 0.670 4.126 -12.684 1.00 1.11 H new ATOM 0 HD3 PRO A 45 -0.905 3.412 -12.399 1.00 1.11 H new ATOM 724 N GLY A 46 2.073 3.732 -15.782 1.00 23.42 N ATOM 725 CA GLY A 46 3.340 4.265 -16.243 1.00 11.44 C ATOM 726 C GLY A 46 3.875 5.339 -15.321 1.00 73.32 C ATOM 727 O GLY A 46 5.012 5.261 -14.851 1.00 21.43 O ATOM 0 H GLY A 46 2.151 2.912 -15.180 1.00 23.42 H new ATOM 0 HA2 GLY A 46 4.067 3.457 -16.318 1.00 11.44 H new ATOM 0 HA3 GLY A 46 3.217 4.676 -17.245 1.00 11.44 H new ATOM 731 N GLN A 47 3.052 6.342 -15.053 1.00 53.12 N ATOM 732 CA GLN A 47 3.443 7.436 -14.179 1.00 62.03 C ATOM 733 C GLN A 47 2.212 8.073 -13.552 1.00 13.33 C ATOM 734 O GLN A 47 1.272 8.437 -14.255 1.00 20.41 O ATOM 735 CB GLN A 47 4.234 8.484 -14.963 1.00 34.24 C ATOM 736 CG GLN A 47 4.881 9.541 -14.086 1.00 44.22 C ATOM 737 CD GLN A 47 5.689 10.538 -14.887 1.00 54.41 C ATOM 738 OE1 GLN A 47 5.179 11.579 -15.301 1.00 4.10 O ATOM 739 NE2 GLN A 47 6.950 10.217 -15.128 1.00 34.23 N ATOM 0 H GLN A 47 2.107 6.420 -15.430 1.00 53.12 H new ATOM 0 HA GLN A 47 4.077 7.039 -13.386 1.00 62.03 H new ATOM 0 HB2 GLN A 47 5.008 7.983 -15.544 1.00 34.24 H new ATOM 0 HB3 GLN A 47 3.568 8.972 -15.674 1.00 34.24 H new ATOM 0 HG2 GLN A 47 4.108 10.069 -13.527 1.00 44.22 H new ATOM 0 HG3 GLN A 47 5.528 9.056 -13.355 1.00 44.22 H new ATOM 0 HE21 GLN A 47 7.332 9.344 -14.765 1.00 34.23 H new ATOM 0 HE22 GLN A 47 7.540 10.843 -15.676 1.00 34.23 H new ATOM 748 N VAL A 48 2.221 8.193 -12.234 1.00 53.11 N ATOM 749 CA VAL A 48 1.107 8.774 -11.500 1.00 55.21 C ATOM 750 C VAL A 48 1.549 9.087 -10.071 1.00 12.42 C ATOM 751 O VAL A 48 2.476 8.458 -9.562 1.00 15.43 O ATOM 752 CB VAL A 48 -0.109 7.811 -11.484 1.00 4.02 C ATOM 753 CG1 VAL A 48 0.215 6.537 -10.717 1.00 33.30 C ATOM 754 CG2 VAL A 48 -1.342 8.492 -10.912 1.00 20.34 C ATOM 0 H VAL A 48 2.997 7.892 -11.644 1.00 53.11 H new ATOM 0 HA VAL A 48 0.801 9.694 -11.998 1.00 55.21 H new ATOM 0 HB VAL A 48 -0.329 7.536 -12.516 1.00 4.02 H new ATOM 0 HG11 VAL A 48 -0.654 5.879 -10.721 1.00 33.30 H new ATOM 0 HG12 VAL A 48 1.056 6.031 -11.191 1.00 33.30 H new ATOM 0 HG13 VAL A 48 0.476 6.788 -9.689 1.00 33.30 H new ATOM 0 HG21 VAL A 48 -2.178 7.792 -10.914 1.00 20.34 H new ATOM 0 HG22 VAL A 48 -1.139 8.813 -9.890 1.00 20.34 H new ATOM 0 HG23 VAL A 48 -1.594 9.360 -11.521 1.00 20.34 H new ATOM 764 N GLU A 49 0.921 10.077 -9.447 1.00 34.55 N ATOM 765 CA GLU A 49 1.216 10.418 -8.061 1.00 31.23 C ATOM 766 C GLU A 49 0.257 9.678 -7.140 1.00 5.03 C ATOM 767 O GLU A 49 -0.951 9.935 -7.157 1.00 42.20 O ATOM 768 CB GLU A 49 1.095 11.930 -7.838 1.00 42.13 C ATOM 769 CG GLU A 49 1.511 12.377 -6.443 1.00 12.53 C ATOM 770 CD GLU A 49 1.315 13.865 -6.222 1.00 24.14 C ATOM 771 OE1 GLU A 49 1.926 14.664 -6.965 1.00 24.54 O ATOM 772 OE2 GLU A 49 0.549 14.240 -5.310 1.00 14.43 O ATOM 0 H GLU A 49 0.203 10.658 -9.880 1.00 34.55 H new ATOM 0 HA GLU A 49 2.240 10.119 -7.836 1.00 31.23 H new ATOM 0 HB2 GLU A 49 1.710 12.448 -8.574 1.00 42.13 H new ATOM 0 HB3 GLU A 49 0.063 12.233 -8.015 1.00 42.13 H new ATOM 0 HG2 GLU A 49 0.934 11.825 -5.702 1.00 12.53 H new ATOM 0 HG3 GLU A 49 2.559 12.125 -6.283 1.00 12.53 H new ATOM 779 N TRP A 50 0.776 8.751 -6.348 1.00 74.24 N ATOM 780 CA TRP A 50 -0.072 7.971 -5.465 1.00 50.22 C ATOM 781 C TRP A 50 0.739 7.324 -4.360 1.00 11.13 C ATOM 782 O TRP A 50 1.952 7.521 -4.261 1.00 25.32 O ATOM 783 CB TRP A 50 -0.841 6.899 -6.253 1.00 54.54 C ATOM 784 CG TRP A 50 -0.016 5.735 -6.716 1.00 61.32 C ATOM 785 CD1 TRP A 50 0.991 5.750 -7.634 1.00 61.41 C ATOM 786 CD2 TRP A 50 -0.154 4.375 -6.294 1.00 34.25 C ATOM 787 NE1 TRP A 50 1.494 4.483 -7.801 1.00 51.51 N ATOM 788 CE2 TRP A 50 0.811 3.622 -6.986 1.00 72.14 C ATOM 789 CE3 TRP A 50 -0.993 3.721 -5.388 1.00 60.23 C ATOM 790 CZ2 TRP A 50 0.955 2.251 -6.806 1.00 23.34 C ATOM 791 CZ3 TRP A 50 -0.849 2.361 -5.209 1.00 63.45 C ATOM 792 CH2 TRP A 50 0.121 1.638 -5.914 1.00 54.34 C ATOM 0 H TRP A 50 1.769 8.524 -6.300 1.00 74.24 H new ATOM 0 HA TRP A 50 -0.790 8.653 -5.010 1.00 50.22 H new ATOM 0 HB2 TRP A 50 -1.652 6.524 -5.629 1.00 54.54 H new ATOM 0 HB3 TRP A 50 -1.299 7.369 -7.123 1.00 54.54 H new ATOM 0 HD1 TRP A 50 1.342 6.629 -8.154 1.00 61.41 H new ATOM 0 HE1 TRP A 50 2.254 4.226 -8.431 1.00 51.51 H new ATOM 0 HE3 TRP A 50 -1.742 4.271 -4.837 1.00 60.23 H new ATOM 0 HZ2 TRP A 50 1.700 1.690 -7.352 1.00 23.34 H new ATOM 0 HZ3 TRP A 50 -1.495 1.845 -4.514 1.00 63.45 H new ATOM 0 HH2 TRP A 50 0.212 0.574 -5.749 1.00 54.34 H new ATOM 803 N PHE A 51 0.060 6.570 -3.517 1.00 62.12 N ATOM 804 CA PHE A 51 0.713 5.823 -2.468 1.00 32.33 C ATOM 805 C PHE A 51 -0.251 4.819 -1.868 1.00 31.03 C ATOM 806 O PHE A 51 -1.423 4.783 -2.241 1.00 73.35 O ATOM 807 CB PHE A 51 1.257 6.771 -1.387 1.00 11.25 C ATOM 808 CG PHE A 51 0.216 7.531 -0.606 1.00 2.24 C ATOM 809 CD1 PHE A 51 -0.403 8.646 -1.146 1.00 64.32 C ATOM 810 CD2 PHE A 51 -0.120 7.141 0.681 1.00 62.43 C ATOM 811 CE1 PHE A 51 -1.341 9.355 -0.420 1.00 11.24 C ATOM 812 CE2 PHE A 51 -1.053 7.847 1.413 1.00 53.21 C ATOM 813 CZ PHE A 51 -1.667 8.956 0.862 1.00 51.45 C ATOM 0 H PHE A 51 -0.954 6.461 -3.542 1.00 62.12 H new ATOM 0 HA PHE A 51 1.557 5.281 -2.896 1.00 32.33 H new ATOM 0 HB2 PHE A 51 1.858 6.190 -0.688 1.00 11.25 H new ATOM 0 HB3 PHE A 51 1.926 7.489 -1.861 1.00 11.25 H new ATOM 0 HD1 PHE A 51 -0.150 8.965 -2.146 1.00 64.32 H new ATOM 0 HD2 PHE A 51 0.354 6.274 1.116 1.00 62.43 H new ATOM 0 HE1 PHE A 51 -1.819 10.221 -0.854 1.00 11.24 H new ATOM 0 HE2 PHE A 51 -1.303 7.533 2.416 1.00 53.21 H new ATOM 0 HZ PHE A 51 -2.399 9.509 1.432 1.00 51.45 H new ATOM 823 N VAL A 52 0.239 3.984 -0.972 1.00 62.41 N ATOM 824 CA VAL A 52 -0.636 3.090 -0.227 1.00 45.54 C ATOM 825 C VAL A 52 -0.504 3.355 1.257 1.00 13.41 C ATOM 826 O VAL A 52 0.559 3.767 1.730 1.00 3.43 O ATOM 827 CB VAL A 52 -0.360 1.593 -0.506 1.00 24.03 C ATOM 828 CG1 VAL A 52 -0.542 1.272 -1.981 1.00 74.10 C ATOM 829 CG2 VAL A 52 1.026 1.191 -0.025 1.00 21.24 C ATOM 0 H VAL A 52 1.229 3.903 -0.741 1.00 62.41 H new ATOM 0 HA VAL A 52 -1.651 3.299 -0.565 1.00 45.54 H new ATOM 0 HB VAL A 52 -1.088 1.009 0.057 1.00 24.03 H new ATOM 0 HG11 VAL A 52 -0.342 0.214 -2.150 1.00 74.10 H new ATOM 0 HG12 VAL A 52 -1.565 1.500 -2.280 1.00 74.10 H new ATOM 0 HG13 VAL A 52 0.151 1.871 -2.572 1.00 74.10 H new ATOM 0 HG21 VAL A 52 1.191 0.134 -0.234 1.00 21.24 H new ATOM 0 HG22 VAL A 52 1.778 1.786 -0.544 1.00 21.24 H new ATOM 0 HG23 VAL A 52 1.103 1.365 1.048 1.00 21.24 H new ATOM 839 N LEU A 53 -1.579 3.136 1.985 1.00 1.23 N ATOM 840 CA LEU A 53 -1.561 3.350 3.414 1.00 74.53 C ATOM 841 C LEU A 53 -2.386 2.290 4.116 1.00 30.31 C ATOM 842 O LEU A 53 -3.222 1.620 3.503 1.00 5.45 O ATOM 843 CB LEU A 53 -2.071 4.757 3.769 1.00 23.42 C ATOM 844 CG LEU A 53 -3.575 4.897 4.060 1.00 14.53 C ATOM 845 CD1 LEU A 53 -3.895 6.324 4.464 1.00 40.32 C ATOM 846 CD2 LEU A 53 -4.420 4.497 2.863 1.00 53.20 C ATOM 0 H LEU A 53 -2.471 2.812 1.612 1.00 1.23 H new ATOM 0 HA LEU A 53 -0.529 3.272 3.757 1.00 74.53 H new ATOM 0 HB2 LEU A 53 -1.522 5.107 4.643 1.00 23.42 H new ATOM 0 HB3 LEU A 53 -1.820 5.427 2.946 1.00 23.42 H new ATOM 0 HG LEU A 53 -3.818 4.221 4.880 1.00 14.53 H new ATOM 0 HD11 LEU A 53 -4.962 6.414 4.668 1.00 40.32 H new ATOM 0 HD12 LEU A 53 -3.331 6.584 5.360 1.00 40.32 H new ATOM 0 HD13 LEU A 53 -3.622 7.001 3.655 1.00 40.32 H new ATOM 0 HD21 LEU A 53 -5.476 4.610 3.109 1.00 53.20 H new ATOM 0 HD22 LEU A 53 -4.175 5.136 2.015 1.00 53.20 H new ATOM 0 HD23 LEU A 53 -4.217 3.458 2.605 1.00 53.20 H new ATOM 858 N ASN A 54 -2.126 2.114 5.391 1.00 31.22 N ATOM 859 CA ASN A 54 -2.938 1.226 6.205 1.00 13.13 C ATOM 860 C ASN A 54 -4.263 1.886 6.548 1.00 41.51 C ATOM 861 O ASN A 54 -4.318 3.089 6.790 1.00 2.53 O ATOM 862 CB ASN A 54 -2.198 0.828 7.477 1.00 44.13 C ATOM 863 CG ASN A 54 -1.097 -0.178 7.215 1.00 55.30 C ATOM 864 OD1 ASN A 54 -0.539 -0.233 6.118 1.00 3.02 O ATOM 865 ND2 ASN A 54 -0.786 -0.987 8.211 1.00 61.51 N ATOM 0 H ASN A 54 -1.362 2.570 5.890 1.00 31.22 H new ATOM 0 HA ASN A 54 -3.137 0.322 5.629 1.00 13.13 H new ATOM 0 HB2 ASN A 54 -1.771 1.718 7.939 1.00 44.13 H new ATOM 0 HB3 ASN A 54 -2.907 0.408 8.190 1.00 44.13 H new ATOM 0 HD21 ASN A 54 -0.059 -1.691 8.088 1.00 61.51 H new ATOM 0 HD22 ASN A 54 -1.273 -0.908 9.104 1.00 61.51 H new ATOM 872 N ALA A 55 -5.328 1.094 6.551 1.00 21.12 N ATOM 873 CA ALA A 55 -6.653 1.595 6.881 1.00 22.33 C ATOM 874 C ALA A 55 -6.782 1.826 8.385 1.00 20.11 C ATOM 875 O ALA A 55 -5.780 1.916 9.095 1.00 52.12 O ATOM 876 CB ALA A 55 -7.713 0.619 6.397 1.00 14.32 C ATOM 0 H ALA A 55 -5.298 0.099 6.328 1.00 21.12 H new ATOM 0 HA ALA A 55 -6.801 2.551 6.378 1.00 22.33 H new ATOM 0 HB1 ALA A 55 -8.702 1.002 6.648 1.00 14.32 H new ATOM 0 HB2 ALA A 55 -7.633 0.502 5.316 1.00 14.32 H new ATOM 0 HB3 ALA A 55 -7.565 -0.347 6.879 1.00 14.32 H new ATOM 882 N GLU A 56 -8.010 1.917 8.870 1.00 13.24 N ATOM 883 CA GLU A 56 -8.243 2.179 10.280 1.00 61.44 C ATOM 884 C GLU A 56 -7.799 0.996 11.142 1.00 12.32 C ATOM 885 O GLU A 56 -7.084 1.172 12.130 1.00 11.42 O ATOM 886 CB GLU A 56 -9.720 2.497 10.521 1.00 4.00 C ATOM 887 CG GLU A 56 -9.967 3.283 11.795 1.00 32.12 C ATOM 888 CD GLU A 56 -9.224 4.604 11.809 1.00 70.15 C ATOM 889 OE1 GLU A 56 -9.720 5.580 11.205 1.00 73.40 O ATOM 890 OE2 GLU A 56 -8.139 4.677 12.423 1.00 43.03 O ATOM 0 H GLU A 56 -8.857 1.814 8.311 1.00 13.24 H new ATOM 0 HA GLU A 56 -7.646 3.044 10.569 1.00 61.44 H new ATOM 0 HB2 GLU A 56 -10.105 3.063 9.673 1.00 4.00 H new ATOM 0 HB3 GLU A 56 -10.283 1.564 10.563 1.00 4.00 H new ATOM 0 HG2 GLU A 56 -11.036 3.469 11.903 1.00 32.12 H new ATOM 0 HG3 GLU A 56 -9.658 2.686 12.653 1.00 32.12 H new ATOM 897 N SER A 57 -8.194 -0.211 10.758 1.00 22.51 N ATOM 898 CA SER A 57 -7.858 -1.399 11.531 1.00 21.13 C ATOM 899 C SER A 57 -6.649 -2.110 10.923 1.00 74.13 C ATOM 900 O SER A 57 -5.608 -2.215 11.568 1.00 53.43 O ATOM 901 CB SER A 57 -9.059 -2.342 11.594 1.00 61.11 C ATOM 902 OG SER A 57 -10.242 -1.632 11.926 1.00 12.31 O ATOM 0 H SER A 57 -8.745 -0.393 9.919 1.00 22.51 H new ATOM 0 HA SER A 57 -7.600 -1.094 12.545 1.00 21.13 H new ATOM 0 HB2 SER A 57 -9.186 -2.840 10.633 1.00 61.11 H new ATOM 0 HB3 SER A 57 -8.877 -3.121 12.335 1.00 61.11 H new ATOM 0 HG SER A 57 -10.850 -1.633 11.158 1.00 12.31 H new ATOM 908 N ASN A 58 -6.808 -2.574 9.673 1.00 52.01 N ATOM 909 CA ASN A 58 -5.749 -3.246 8.888 1.00 74.31 C ATOM 910 C ASN A 58 -4.973 -4.305 9.685 1.00 74.23 C ATOM 911 O ASN A 58 -3.781 -4.506 9.466 1.00 34.44 O ATOM 912 CB ASN A 58 -4.768 -2.225 8.280 1.00 61.11 C ATOM 913 CG ASN A 58 -3.952 -1.458 9.311 1.00 72.52 C ATOM 914 OD1 ASN A 58 -2.885 -1.893 9.731 1.00 12.33 O ATOM 915 ND2 ASN A 58 -4.431 -0.295 9.707 1.00 74.12 N ATOM 0 H ASN A 58 -7.690 -2.493 9.167 1.00 52.01 H new ATOM 0 HA ASN A 58 -6.271 -3.769 8.086 1.00 74.31 H new ATOM 0 HB2 ASN A 58 -4.087 -2.747 7.608 1.00 61.11 H new ATOM 0 HB3 ASN A 58 -5.330 -1.514 7.674 1.00 61.11 H new ATOM 0 HD21 ASN A 58 -3.911 0.268 10.380 1.00 74.12 H new ATOM 0 HD22 ASN A 58 -5.321 0.041 9.340 1.00 74.12 H new ATOM 922 N VAL A 59 -5.658 -5.022 10.562 1.00 61.33 N ATOM 923 CA VAL A 59 -4.987 -5.984 11.436 1.00 54.04 C ATOM 924 C VAL A 59 -5.038 -7.402 10.873 1.00 4.45 C ATOM 925 O VAL A 59 -4.130 -7.847 10.175 1.00 23.44 O ATOM 926 CB VAL A 59 -5.637 -6.024 12.822 1.00 44.12 C ATOM 927 CG1 VAL A 59 -4.778 -6.806 13.808 1.00 52.44 C ATOM 928 CG2 VAL A 59 -5.923 -4.629 13.342 1.00 53.42 C ATOM 0 H VAL A 59 -6.668 -4.961 10.691 1.00 61.33 H new ATOM 0 HA VAL A 59 -3.952 -5.648 11.505 1.00 54.04 H new ATOM 0 HB VAL A 59 -6.591 -6.541 12.720 1.00 44.12 H new ATOM 0 HG11 VAL A 59 -5.264 -6.818 14.784 1.00 52.44 H new ATOM 0 HG12 VAL A 59 -4.654 -7.829 13.451 1.00 52.44 H new ATOM 0 HG13 VAL A 59 -3.801 -6.331 13.895 1.00 52.44 H new ATOM 0 HG21 VAL A 59 -6.384 -4.695 14.327 1.00 53.42 H new ATOM 0 HG22 VAL A 59 -4.990 -4.069 13.415 1.00 53.42 H new ATOM 0 HG23 VAL A 59 -6.601 -4.118 12.658 1.00 53.42 H new ATOM 938 N GLU A 60 -6.144 -8.086 11.152 1.00 2.12 N ATOM 939 CA GLU A 60 -6.293 -9.507 10.849 1.00 12.21 C ATOM 940 C GLU A 60 -6.946 -9.656 9.500 1.00 61.32 C ATOM 941 O GLU A 60 -7.466 -10.712 9.137 1.00 33.22 O ATOM 942 CB GLU A 60 -7.162 -10.166 11.915 1.00 32.55 C ATOM 943 CG GLU A 60 -6.661 -9.921 13.326 1.00 74.33 C ATOM 944 CD GLU A 60 -7.560 -10.518 14.381 1.00 11.25 C ATOM 945 OE1 GLU A 60 -8.712 -10.058 14.518 1.00 73.53 O ATOM 946 OE2 GLU A 60 -7.110 -11.434 15.100 1.00 61.02 O ATOM 0 H GLU A 60 -6.963 -7.671 11.595 1.00 2.12 H new ATOM 0 HA GLU A 60 -5.314 -9.987 10.837 1.00 12.21 H new ATOM 0 HB2 GLU A 60 -8.181 -9.790 11.827 1.00 32.55 H new ATOM 0 HB3 GLU A 60 -7.201 -11.240 11.731 1.00 32.55 H new ATOM 0 HG2 GLU A 60 -5.660 -10.341 13.429 1.00 74.33 H new ATOM 0 HG3 GLU A 60 -6.575 -8.847 13.494 1.00 74.33 H new ATOM 953 N VAL A 61 -6.892 -8.578 8.762 1.00 63.33 N ATOM 954 CA VAL A 61 -7.644 -8.439 7.551 1.00 64.23 C ATOM 955 C VAL A 61 -6.796 -8.790 6.335 1.00 15.00 C ATOM 956 O VAL A 61 -7.263 -9.435 5.396 1.00 72.31 O ATOM 957 CB VAL A 61 -8.176 -6.992 7.445 1.00 20.13 C ATOM 958 CG1 VAL A 61 -9.004 -6.651 8.677 1.00 62.02 C ATOM 959 CG2 VAL A 61 -7.042 -5.987 7.296 1.00 4.20 C ATOM 0 H VAL A 61 -6.318 -7.766 8.990 1.00 63.33 H new ATOM 0 HA VAL A 61 -8.484 -9.133 7.575 1.00 64.23 H new ATOM 0 HB VAL A 61 -8.800 -6.932 6.553 1.00 20.13 H new ATOM 0 HG11 VAL A 61 -9.375 -5.629 8.595 1.00 62.02 H new ATOM 0 HG12 VAL A 61 -9.847 -7.339 8.751 1.00 62.02 H new ATOM 0 HG13 VAL A 61 -8.383 -6.741 9.569 1.00 62.02 H new ATOM 0 HG21 VAL A 61 -7.455 -4.981 7.224 1.00 4.20 H new ATOM 0 HG22 VAL A 61 -6.385 -6.049 8.163 1.00 4.20 H new ATOM 0 HG23 VAL A 61 -6.474 -6.211 6.393 1.00 4.20 H new ATOM 969 N ASP A 62 -5.531 -8.430 6.406 1.00 62.04 N ATOM 970 CA ASP A 62 -4.677 -8.423 5.239 1.00 0.41 C ATOM 971 C ASP A 62 -3.452 -9.296 5.477 1.00 74.14 C ATOM 972 O ASP A 62 -2.553 -8.922 6.233 1.00 52.40 O ATOM 973 CB ASP A 62 -4.282 -6.972 4.968 1.00 54.11 C ATOM 974 CG ASP A 62 -3.656 -6.760 3.601 1.00 42.24 C ATOM 975 OD1 ASP A 62 -4.196 -7.280 2.598 1.00 13.21 O ATOM 976 OD2 ASP A 62 -2.637 -6.050 3.520 1.00 55.04 O ATOM 0 H ASP A 62 -5.070 -8.137 7.267 1.00 62.04 H new ATOM 0 HA ASP A 62 -5.197 -8.832 4.373 1.00 0.41 H new ATOM 0 HB2 ASP A 62 -5.166 -6.341 5.056 1.00 54.11 H new ATOM 0 HB3 ASP A 62 -3.580 -6.646 5.735 1.00 54.11 H new ATOM 981 N LEU A 63 -3.419 -10.469 4.849 1.00 63.43 N ATOM 982 CA LEU A 63 -2.400 -11.461 5.177 1.00 12.03 C ATOM 983 C LEU A 63 -1.461 -11.669 3.996 1.00 60.03 C ATOM 984 O LEU A 63 -1.879 -11.588 2.845 1.00 13.33 O ATOM 985 CB LEU A 63 -3.039 -12.801 5.574 1.00 3.41 C ATOM 986 CG LEU A 63 -4.294 -12.717 6.459 1.00 1.20 C ATOM 987 CD1 LEU A 63 -4.704 -14.101 6.931 1.00 55.20 C ATOM 988 CD2 LEU A 63 -4.085 -11.797 7.652 1.00 65.40 C ATOM 0 H LEU A 63 -4.075 -10.753 4.121 1.00 63.43 H new ATOM 0 HA LEU A 63 -1.830 -11.084 6.027 1.00 12.03 H new ATOM 0 HB2 LEU A 63 -3.297 -13.341 4.663 1.00 3.41 H new ATOM 0 HB3 LEU A 63 -2.290 -13.397 6.096 1.00 3.41 H new ATOM 0 HG LEU A 63 -5.094 -12.294 5.851 1.00 1.20 H new ATOM 0 HD11 LEU A 63 -5.594 -14.024 7.556 1.00 55.20 H new ATOM 0 HD12 LEU A 63 -4.921 -14.730 6.068 1.00 55.20 H new ATOM 0 HD13 LEU A 63 -3.892 -14.544 7.508 1.00 55.20 H new ATOM 0 HD21 LEU A 63 -4.995 -11.766 8.251 1.00 65.40 H new ATOM 0 HD22 LEU A 63 -3.262 -12.172 8.261 1.00 65.40 H new ATOM 0 HD23 LEU A 63 -3.848 -10.793 7.300 1.00 65.40 H new ATOM 1000 N THR A 64 -0.185 -11.926 4.293 1.00 71.45 N ATOM 1001 CA THR A 64 0.830 -12.128 3.257 1.00 41.34 C ATOM 1002 C THR A 64 0.936 -10.869 2.386 1.00 73.34 C ATOM 1003 O THR A 64 1.315 -10.915 1.207 1.00 70.12 O ATOM 1004 CB THR A 64 0.495 -13.367 2.393 1.00 52.13 C ATOM 1005 OG1 THR A 64 0.048 -14.436 3.241 1.00 62.22 O ATOM 1006 CG2 THR A 64 1.714 -13.841 1.606 1.00 51.10 C ATOM 0 H THR A 64 0.171 -11.999 5.246 1.00 71.45 H new ATOM 0 HA THR A 64 1.792 -12.308 3.736 1.00 41.34 H new ATOM 0 HB THR A 64 -0.287 -13.084 1.689 1.00 52.13 H new ATOM 0 HG1 THR A 64 -0.166 -15.220 2.694 1.00 62.22 H new ATOM 0 HG21 THR A 64 1.445 -14.713 1.009 1.00 51.10 H new ATOM 0 HG22 THR A 64 2.055 -13.042 0.948 1.00 51.10 H new ATOM 0 HG23 THR A 64 2.513 -14.107 2.298 1.00 51.10 H new ATOM 1014 N ALA A 65 0.630 -9.738 3.015 1.00 12.15 N ATOM 1015 CA ALA A 65 0.576 -8.456 2.337 1.00 75.32 C ATOM 1016 C ALA A 65 1.915 -8.093 1.727 1.00 5.55 C ATOM 1017 O ALA A 65 1.981 -7.693 0.566 1.00 34.32 O ATOM 1018 CB ALA A 65 0.138 -7.377 3.308 1.00 4.11 C ATOM 0 H ALA A 65 0.413 -9.689 4.010 1.00 12.15 H new ATOM 0 HA ALA A 65 -0.150 -8.534 1.527 1.00 75.32 H new ATOM 0 HB1 ALA A 65 0.100 -6.417 2.792 1.00 4.11 H new ATOM 0 HB2 ALA A 65 -0.850 -7.619 3.699 1.00 4.11 H new ATOM 0 HB3 ALA A 65 0.849 -7.318 4.132 1.00 4.11 H new ATOM 1024 N LEU A 66 2.976 -8.237 2.513 1.00 71.32 N ATOM 1025 CA LEU A 66 4.319 -7.905 2.059 1.00 50.21 C ATOM 1026 C LEU A 66 4.632 -8.533 0.709 1.00 33.50 C ATOM 1027 O LEU A 66 5.067 -7.841 -0.208 1.00 32.02 O ATOM 1028 CB LEU A 66 5.400 -8.252 3.112 1.00 10.33 C ATOM 1029 CG LEU A 66 5.555 -9.707 3.645 1.00 13.31 C ATOM 1030 CD1 LEU A 66 4.231 -10.334 4.061 1.00 2.21 C ATOM 1031 CD2 LEU A 66 6.290 -10.605 2.661 1.00 32.23 C ATOM 0 H LEU A 66 2.930 -8.583 3.471 1.00 71.32 H new ATOM 0 HA LEU A 66 4.342 -6.823 1.928 1.00 50.21 H new ATOM 0 HB2 LEU A 66 6.362 -7.961 2.691 1.00 10.33 H new ATOM 0 HB3 LEU A 66 5.223 -7.611 3.976 1.00 10.33 H new ATOM 0 HG LEU A 66 6.165 -9.622 4.544 1.00 13.31 H new ATOM 0 HD11 LEU A 66 4.406 -11.347 4.423 1.00 2.21 H new ATOM 0 HD12 LEU A 66 3.780 -9.738 4.854 1.00 2.21 H new ATOM 0 HD13 LEU A 66 3.558 -10.366 3.204 1.00 2.21 H new ATOM 0 HD21 LEU A 66 6.373 -11.609 3.077 1.00 32.23 H new ATOM 0 HD22 LEU A 66 5.737 -10.646 1.723 1.00 32.23 H new ATOM 0 HD23 LEU A 66 7.287 -10.204 2.477 1.00 32.23 H new ATOM 1043 N ASP A 67 4.358 -9.819 0.566 1.00 45.52 N ATOM 1044 CA ASP A 67 4.623 -10.501 -0.685 1.00 70.22 C ATOM 1045 C ASP A 67 3.801 -9.858 -1.784 1.00 41.11 C ATOM 1046 O ASP A 67 4.336 -9.150 -2.645 1.00 14.10 O ATOM 1047 CB ASP A 67 4.283 -11.991 -0.577 1.00 21.23 C ATOM 1048 CG ASP A 67 4.702 -12.779 -1.806 1.00 3.12 C ATOM 1049 OD1 ASP A 67 3.960 -12.781 -2.807 1.00 72.32 O ATOM 1050 OD2 ASP A 67 5.777 -13.412 -1.768 1.00 60.34 O ATOM 0 H ASP A 67 3.955 -10.406 1.296 1.00 45.52 H new ATOM 0 HA ASP A 67 5.684 -10.414 -0.919 1.00 70.22 H new ATOM 0 HB2 ASP A 67 4.774 -12.409 0.302 1.00 21.23 H new ATOM 0 HB3 ASP A 67 3.209 -12.104 -0.426 1.00 21.23 H new ATOM 1055 N ALA A 68 2.489 -10.042 -1.688 1.00 15.04 N ATOM 1056 CA ALA A 68 1.573 -9.595 -2.722 1.00 10.20 C ATOM 1057 C ALA A 68 1.717 -8.106 -3.014 1.00 12.44 C ATOM 1058 O ALA A 68 2.138 -7.715 -4.104 1.00 33.25 O ATOM 1059 CB ALA A 68 0.142 -9.907 -2.321 1.00 0.25 C ATOM 0 H ALA A 68 2.037 -10.501 -0.897 1.00 15.04 H new ATOM 0 HA ALA A 68 1.825 -10.134 -3.635 1.00 10.20 H new ATOM 0 HB1 ALA A 68 -0.537 -9.568 -3.103 1.00 0.25 H new ATOM 0 HB2 ALA A 68 0.029 -10.982 -2.183 1.00 0.25 H new ATOM 0 HB3 ALA A 68 -0.094 -9.395 -1.388 1.00 0.25 H new ATOM 1065 N LEU A 69 1.402 -7.273 -2.037 1.00 33.04 N ATOM 1066 CA LEU A 69 1.251 -5.862 -2.311 1.00 72.44 C ATOM 1067 C LEU A 69 2.566 -5.098 -2.241 1.00 3.52 C ATOM 1068 O LEU A 69 2.749 -4.161 -3.015 1.00 52.03 O ATOM 1069 CB LEU A 69 0.176 -5.222 -1.416 1.00 31.11 C ATOM 1070 CG LEU A 69 0.409 -5.238 0.102 1.00 4.51 C ATOM 1071 CD1 LEU A 69 1.414 -4.173 0.526 1.00 44.03 C ATOM 1072 CD2 LEU A 69 -0.908 -5.033 0.829 1.00 65.34 C ATOM 0 H LEU A 69 1.249 -7.546 -1.066 1.00 33.04 H new ATOM 0 HA LEU A 69 0.911 -5.788 -3.344 1.00 72.44 H new ATOM 0 HB2 LEU A 69 0.056 -4.184 -1.726 1.00 31.11 H new ATOM 0 HB3 LEU A 69 -0.770 -5.726 -1.615 1.00 31.11 H new ATOM 0 HG LEU A 69 0.824 -6.210 0.369 1.00 4.51 H new ATOM 0 HD11 LEU A 69 1.554 -4.214 1.606 1.00 44.03 H new ATOM 0 HD12 LEU A 69 2.367 -4.354 0.030 1.00 44.03 H new ATOM 0 HD13 LEU A 69 1.040 -3.188 0.246 1.00 44.03 H new ATOM 0 HD21 LEU A 69 -0.735 -5.045 1.905 1.00 65.34 H new ATOM 0 HD22 LEU A 69 -1.337 -4.073 0.541 1.00 65.34 H new ATOM 0 HD23 LEU A 69 -1.599 -5.833 0.563 1.00 65.34 H new ATOM 1084 N ASP A 70 3.495 -5.471 -1.355 1.00 55.31 N ATOM 1085 CA ASP A 70 4.721 -4.689 -1.266 1.00 43.20 C ATOM 1086 C ASP A 70 5.512 -4.925 -2.513 1.00 44.11 C ATOM 1087 O ASP A 70 5.886 -3.990 -3.188 1.00 34.11 O ATOM 1088 CB ASP A 70 5.598 -5.020 -0.067 1.00 13.25 C ATOM 1089 CG ASP A 70 6.583 -3.896 0.235 1.00 40.31 C ATOM 1090 OD1 ASP A 70 7.697 -3.891 -0.337 1.00 44.31 O ATOM 1091 OD2 ASP A 70 6.235 -2.982 1.019 1.00 60.32 O ATOM 0 H ASP A 70 3.426 -6.268 -0.722 1.00 55.31 H new ATOM 0 HA ASP A 70 4.420 -3.648 -1.144 1.00 43.20 H new ATOM 0 HB2 ASP A 70 4.970 -5.198 0.806 1.00 13.25 H new ATOM 0 HB3 ASP A 70 6.146 -5.943 -0.260 1.00 13.25 H new ATOM 1096 N GLN A 71 5.709 -6.188 -2.855 1.00 71.22 N ATOM 1097 CA GLN A 71 6.453 -6.524 -4.047 1.00 11.31 C ATOM 1098 C GLN A 71 5.803 -5.895 -5.276 1.00 34.40 C ATOM 1099 O GLN A 71 6.492 -5.328 -6.121 1.00 1.13 O ATOM 1100 CB GLN A 71 6.517 -8.031 -4.180 1.00 52.21 C ATOM 1101 CG GLN A 71 6.846 -8.530 -5.570 1.00 61.12 C ATOM 1102 CD GLN A 71 6.596 -10.013 -5.707 1.00 14.13 C ATOM 1103 OE1 GLN A 71 5.617 -10.513 -4.964 1.00 2.00 O flip ATOM 1104 NE2 GLN A 71 7.265 -10.703 -6.479 1.00 4.04 N flip ATOM 0 H GLN A 71 5.365 -6.989 -2.325 1.00 71.22 H new ATOM 0 HA GLN A 71 7.466 -6.129 -3.970 1.00 11.31 H new ATOM 0 HB2 GLN A 71 7.266 -8.412 -3.485 1.00 52.21 H new ATOM 0 HB3 GLN A 71 5.558 -8.450 -3.876 1.00 52.21 H new ATOM 0 HG2 GLN A 71 6.244 -7.991 -6.302 1.00 61.12 H new ATOM 0 HG3 GLN A 71 7.890 -8.315 -5.796 1.00 61.12 H new ATOM 0 HE21 GLN A 71 8.009 -10.276 -7.031 1.00 4.04 H new ATOM 0 HE22 GLN A 71 7.075 -11.701 -6.566 1.00 4.04 H new ATOM 1113 N LEU A 72 4.472 -5.965 -5.354 1.00 43.15 N ATOM 1114 CA LEU A 72 3.748 -5.371 -6.471 1.00 53.12 C ATOM 1115 C LEU A 72 4.020 -3.877 -6.579 1.00 13.51 C ATOM 1116 O LEU A 72 4.652 -3.423 -7.530 1.00 21.12 O ATOM 1117 CB LEU A 72 2.243 -5.619 -6.343 1.00 21.44 C ATOM 1118 CG LEU A 72 1.632 -6.511 -7.431 1.00 12.31 C ATOM 1119 CD1 LEU A 72 1.801 -5.872 -8.800 1.00 33.51 C ATOM 1120 CD2 LEU A 72 2.265 -7.894 -7.406 1.00 63.43 C ATOM 0 H LEU A 72 3.881 -6.424 -4.661 1.00 43.15 H new ATOM 0 HA LEU A 72 4.108 -5.852 -7.381 1.00 53.12 H new ATOM 0 HB2 LEU A 72 2.047 -6.073 -5.372 1.00 21.44 H new ATOM 0 HB3 LEU A 72 1.730 -4.657 -6.354 1.00 21.44 H new ATOM 0 HG LEU A 72 0.566 -6.618 -7.230 1.00 12.31 H new ATOM 0 HD11 LEU A 72 1.362 -6.518 -9.560 1.00 33.51 H new ATOM 0 HD12 LEU A 72 1.301 -4.904 -8.814 1.00 33.51 H new ATOM 0 HD13 LEU A 72 2.862 -5.735 -9.009 1.00 33.51 H new ATOM 0 HD21 LEU A 72 1.819 -8.512 -8.185 1.00 63.43 H new ATOM 0 HD22 LEU A 72 3.337 -7.807 -7.582 1.00 63.43 H new ATOM 0 HD23 LEU A 72 2.093 -8.355 -6.433 1.00 63.43 H new ATOM 1132 N ARG A 73 3.580 -3.104 -5.595 1.00 71.02 N ATOM 1133 CA ARG A 73 3.681 -1.657 -5.703 1.00 13.13 C ATOM 1134 C ARG A 73 5.010 -1.124 -5.182 1.00 44.35 C ATOM 1135 O ARG A 73 5.160 0.067 -5.013 1.00 61.25 O ATOM 1136 CB ARG A 73 2.492 -0.942 -5.043 1.00 30.02 C ATOM 1137 CG ARG A 73 2.163 -1.377 -3.625 1.00 0.50 C ATOM 1138 CD ARG A 73 2.670 -0.388 -2.585 1.00 75.45 C ATOM 1139 NE ARG A 73 4.083 -0.568 -2.281 1.00 74.23 N ATOM 1140 CZ ARG A 73 4.532 -1.096 -1.142 1.00 31.41 C ATOM 1141 NH1 ARG A 73 3.681 -1.480 -0.195 1.00 3.14 N ATOM 1142 NH2 ARG A 73 5.827 -1.246 -0.942 1.00 31.23 N ATOM 0 H ARG A 73 3.159 -3.446 -4.731 1.00 71.02 H new ATOM 0 HA ARG A 73 3.645 -1.431 -6.769 1.00 13.13 H new ATOM 0 HB2 ARG A 73 2.694 0.129 -5.037 1.00 30.02 H new ATOM 0 HB3 ARG A 73 1.610 -1.096 -5.664 1.00 30.02 H new ATOM 0 HG2 ARG A 73 1.083 -1.487 -3.522 1.00 0.50 H new ATOM 0 HG3 ARG A 73 2.603 -2.356 -3.437 1.00 0.50 H new ATOM 0 HD2 ARG A 73 2.506 0.628 -2.945 1.00 75.45 H new ATOM 0 HD3 ARG A 73 2.088 -0.499 -1.670 1.00 75.45 H new ATOM 0 HE ARG A 73 4.767 -0.274 -2.978 1.00 74.23 H new ATOM 0 HH11 ARG A 73 2.677 -1.372 -0.337 1.00 3.14 H new ATOM 0 HH12 ARG A 73 4.032 -1.883 0.674 1.00 3.14 H new ATOM 0 HH21 ARG A 73 6.491 -0.957 -1.661 1.00 31.23 H new ATOM 0 HH22 ARG A 73 6.165 -1.651 -0.069 1.00 31.23 H new ATOM 1156 N THR A 74 5.961 -2.007 -4.916 1.00 72.15 N ATOM 1157 CA THR A 74 7.357 -1.607 -4.720 1.00 1.42 C ATOM 1158 C THR A 74 8.062 -1.671 -6.060 1.00 62.42 C ATOM 1159 O THR A 74 8.770 -0.745 -6.460 1.00 22.23 O ATOM 1160 CB THR A 74 8.089 -2.520 -3.700 1.00 41.00 C ATOM 1161 OG1 THR A 74 7.913 -2.024 -2.369 1.00 54.12 O ATOM 1162 CG2 THR A 74 9.574 -2.656 -4.007 1.00 50.10 C ATOM 0 H THR A 74 5.796 -3.010 -4.830 1.00 72.15 H new ATOM 0 HA THR A 74 7.375 -0.595 -4.316 1.00 1.42 H new ATOM 0 HB THR A 74 7.643 -3.511 -3.783 1.00 41.00 H new ATOM 0 HG1 THR A 74 7.849 -2.777 -1.745 1.00 54.12 H new ATOM 0 HG21 THR A 74 10.041 -3.304 -3.265 1.00 50.10 H new ATOM 0 HG22 THR A 74 9.702 -3.089 -4.999 1.00 50.10 H new ATOM 0 HG23 THR A 74 10.043 -1.673 -3.977 1.00 50.10 H new ATOM 1170 N GLU A 75 7.819 -2.770 -6.759 1.00 15.44 N ATOM 1171 CA GLU A 75 8.338 -2.976 -8.095 1.00 2.25 C ATOM 1172 C GLU A 75 7.757 -1.922 -9.035 1.00 64.13 C ATOM 1173 O GLU A 75 8.360 -1.546 -10.041 1.00 63.05 O ATOM 1174 CB GLU A 75 7.965 -4.390 -8.544 1.00 54.21 C ATOM 1175 CG GLU A 75 8.582 -4.808 -9.869 1.00 3.24 C ATOM 1176 CD GLU A 75 10.093 -4.835 -9.823 1.00 34.41 C ATOM 1177 OE1 GLU A 75 10.716 -3.772 -10.018 1.00 65.04 O ATOM 1178 OE2 GLU A 75 10.669 -5.915 -9.599 1.00 75.23 O ATOM 0 H GLU A 75 7.254 -3.544 -6.411 1.00 15.44 H new ATOM 0 HA GLU A 75 9.423 -2.875 -8.110 1.00 2.25 H new ATOM 0 HB2 GLU A 75 8.274 -5.097 -7.774 1.00 54.21 H new ATOM 0 HB3 GLU A 75 6.880 -4.459 -8.624 1.00 54.21 H new ATOM 0 HG2 GLU A 75 8.213 -5.797 -10.142 1.00 3.24 H new ATOM 0 HG3 GLU A 75 8.258 -4.120 -10.650 1.00 3.24 H new ATOM 1185 N LEU A 76 6.575 -1.438 -8.683 1.00 14.03 N ATOM 1186 CA LEU A 76 5.916 -0.380 -9.435 1.00 14.15 C ATOM 1187 C LEU A 76 6.273 1.002 -8.878 1.00 74.54 C ATOM 1188 O LEU A 76 6.395 1.965 -9.633 1.00 34.21 O ATOM 1189 CB LEU A 76 4.396 -0.587 -9.412 1.00 41.23 C ATOM 1190 CG LEU A 76 3.827 -1.540 -10.477 1.00 62.33 C ATOM 1191 CD1 LEU A 76 4.628 -2.831 -10.574 1.00 60.20 C ATOM 1192 CD2 LEU A 76 2.377 -1.857 -10.163 1.00 14.14 C ATOM 0 H LEU A 76 6.048 -1.765 -7.873 1.00 14.03 H new ATOM 0 HA LEU A 76 6.267 -0.426 -10.466 1.00 14.15 H new ATOM 0 HB2 LEU A 76 4.116 -0.965 -8.429 1.00 41.23 H new ATOM 0 HB3 LEU A 76 3.916 0.384 -9.529 1.00 41.23 H new ATOM 0 HG LEU A 76 3.896 -1.035 -11.441 1.00 62.33 H new ATOM 0 HD11 LEU A 76 4.191 -3.474 -11.338 1.00 60.20 H new ATOM 0 HD12 LEU A 76 5.659 -2.600 -10.841 1.00 60.20 H new ATOM 0 HD13 LEU A 76 4.608 -3.345 -9.613 1.00 60.20 H new ATOM 0 HD21 LEU A 76 1.980 -2.532 -10.921 1.00 14.14 H new ATOM 0 HD22 LEU A 76 2.312 -2.332 -9.184 1.00 14.14 H new ATOM 0 HD23 LEU A 76 1.796 -0.935 -10.158 1.00 14.14 H new ATOM 1204 N LEU A 77 6.445 1.096 -7.560 1.00 73.31 N ATOM 1205 CA LEU A 77 6.780 2.369 -6.915 1.00 73.32 C ATOM 1206 C LEU A 77 8.108 2.914 -7.421 1.00 11.12 C ATOM 1207 O LEU A 77 8.249 4.117 -7.650 1.00 13.44 O ATOM 1208 CB LEU A 77 6.836 2.185 -5.397 1.00 52.13 C ATOM 1209 CG LEU A 77 6.747 3.451 -4.559 1.00 55.44 C ATOM 1210 CD1 LEU A 77 6.217 3.113 -3.179 1.00 4.14 C ATOM 1211 CD2 LEU A 77 8.102 4.118 -4.446 1.00 64.44 C ATOM 0 H LEU A 77 6.359 0.309 -6.917 1.00 73.31 H new ATOM 0 HA LEU A 77 6.002 3.090 -7.166 1.00 73.32 H new ATOM 0 HB2 LEU A 77 6.022 1.523 -5.103 1.00 52.13 H new ATOM 0 HB3 LEU A 77 7.767 1.676 -5.149 1.00 52.13 H new ATOM 0 HG LEU A 77 6.065 4.146 -5.049 1.00 55.44 H new ATOM 0 HD11 LEU A 77 6.154 4.022 -2.581 1.00 4.14 H new ATOM 0 HD12 LEU A 77 5.226 2.668 -3.269 1.00 4.14 H new ATOM 0 HD13 LEU A 77 6.889 2.405 -2.694 1.00 4.14 H new ATOM 0 HD21 LEU A 77 8.014 5.021 -3.842 1.00 64.44 H new ATOM 0 HD22 LEU A 77 8.806 3.433 -3.974 1.00 64.44 H new ATOM 0 HD23 LEU A 77 8.463 4.380 -5.441 1.00 64.44 H new ATOM 1223 N ARG A 78 9.063 2.018 -7.629 1.00 21.53 N ATOM 1224 CA ARG A 78 10.415 2.387 -8.049 1.00 51.41 C ATOM 1225 C ARG A 78 10.447 2.918 -9.490 1.00 74.22 C ATOM 1226 O ARG A 78 11.498 2.916 -10.136 1.00 13.34 O ATOM 1227 CB ARG A 78 11.330 1.161 -7.925 1.00 5.30 C ATOM 1228 CG ARG A 78 10.887 -0.007 -8.798 1.00 64.40 C ATOM 1229 CD ARG A 78 11.718 -1.259 -8.564 1.00 22.14 C ATOM 1230 NE ARG A 78 13.117 -1.092 -8.964 1.00 4.24 N ATOM 1231 CZ ARG A 78 13.821 -2.005 -9.639 1.00 23.51 C ATOM 1232 NH1 ARG A 78 13.254 -3.140 -10.035 1.00 62.24 N ATOM 1233 NH2 ARG A 78 15.091 -1.776 -9.939 1.00 54.30 N ATOM 0 H ARG A 78 8.926 1.014 -7.512 1.00 21.53 H new ATOM 0 HA ARG A 78 10.765 3.190 -7.400 1.00 51.41 H new ATOM 0 HB2 ARG A 78 12.347 1.445 -8.197 1.00 5.30 H new ATOM 0 HB3 ARG A 78 11.357 0.839 -6.884 1.00 5.30 H new ATOM 0 HG2 ARG A 78 9.839 -0.228 -8.598 1.00 64.40 H new ATOM 0 HG3 ARG A 78 10.957 0.281 -9.847 1.00 64.40 H new ATOM 0 HD2 ARG A 78 11.676 -1.526 -7.508 1.00 22.14 H new ATOM 0 HD3 ARG A 78 11.282 -2.089 -9.120 1.00 22.14 H new ATOM 0 HE ARG A 78 13.584 -0.222 -8.711 1.00 4.24 H new ATOM 0 HH11 ARG A 78 12.272 -3.320 -9.824 1.00 62.24 H new ATOM 0 HH12 ARG A 78 13.800 -3.831 -10.550 1.00 62.24 H new ATOM 0 HH21 ARG A 78 15.533 -0.902 -9.655 1.00 54.30 H new ATOM 0 HH22 ARG A 78 15.627 -2.474 -10.454 1.00 54.30 H new ATOM 1247 N ARG A 79 9.301 3.377 -9.992 1.00 12.02 N ATOM 1248 CA ARG A 79 9.200 3.848 -11.366 1.00 23.25 C ATOM 1249 C ARG A 79 8.735 5.303 -11.438 1.00 3.14 C ATOM 1250 O ARG A 79 8.933 5.966 -12.458 1.00 63.01 O ATOM 1251 CB ARG A 79 8.231 2.969 -12.166 1.00 43.21 C ATOM 1252 CG ARG A 79 8.572 1.487 -12.150 1.00 64.35 C ATOM 1253 CD ARG A 79 10.018 1.237 -12.547 1.00 40.53 C ATOM 1254 NE ARG A 79 10.338 1.813 -13.852 1.00 63.14 N ATOM 1255 CZ ARG A 79 11.472 2.466 -14.115 1.00 74.33 C ATOM 1256 NH1 ARG A 79 12.360 2.666 -13.147 1.00 64.22 N ATOM 1257 NH2 ARG A 79 11.708 2.932 -15.334 1.00 13.31 N ATOM 0 H ARG A 79 8.430 3.431 -9.464 1.00 12.02 H new ATOM 0 HA ARG A 79 10.199 3.785 -11.798 1.00 23.25 H new ATOM 0 HB2 ARG A 79 7.225 3.103 -11.768 1.00 43.21 H new ATOM 0 HB3 ARG A 79 8.214 3.315 -13.200 1.00 43.21 H new ATOM 0 HG2 ARG A 79 8.394 1.084 -11.153 1.00 64.35 H new ATOM 0 HG3 ARG A 79 7.910 0.954 -12.833 1.00 64.35 H new ATOM 0 HD2 ARG A 79 10.679 1.662 -11.792 1.00 40.53 H new ATOM 0 HD3 ARG A 79 10.207 0.164 -12.569 1.00 40.53 H new ATOM 0 HE ARG A 79 9.656 1.710 -14.604 1.00 63.14 H new ATOM 0 HH11 ARG A 79 12.174 2.321 -12.205 1.00 64.22 H new ATOM 0 HH12 ARG A 79 13.227 3.165 -13.346 1.00 64.22 H new ATOM 0 HH21 ARG A 79 11.021 2.792 -16.075 1.00 13.31 H new ATOM 0 HH22 ARG A 79 12.576 3.430 -15.530 1.00 13.31 H new ATOM 1271 N GLY A 80 8.115 5.806 -10.372 1.00 54.34 N ATOM 1272 CA GLY A 80 7.554 7.150 -10.426 1.00 13.42 C ATOM 1273 C GLY A 80 7.324 7.768 -9.058 1.00 0.41 C ATOM 1274 O GLY A 80 7.907 7.329 -8.066 1.00 44.34 O ATOM 0 H GLY A 80 7.991 5.318 -9.485 1.00 54.34 H new ATOM 0 HA2 GLY A 80 8.225 7.792 -10.997 1.00 13.42 H new ATOM 0 HA3 GLY A 80 6.607 7.118 -10.965 1.00 13.42 H new ATOM 1278 N ILE A 81 6.465 8.788 -9.011 1.00 63.14 N ATOM 1279 CA ILE A 81 6.184 9.506 -7.773 1.00 4.41 C ATOM 1280 C ILE A 81 5.078 8.810 -6.972 1.00 63.44 C ATOM 1281 O ILE A 81 3.878 9.052 -7.146 1.00 71.14 O ATOM 1282 CB ILE A 81 5.832 10.995 -8.048 1.00 74.22 C ATOM 1283 CG1 ILE A 81 5.421 11.714 -6.761 1.00 54.12 C ATOM 1284 CG2 ILE A 81 4.748 11.120 -9.109 1.00 40.13 C ATOM 1285 CD1 ILE A 81 6.521 11.788 -5.725 1.00 60.33 C ATOM 0 H ILE A 81 5.951 9.134 -9.821 1.00 63.14 H new ATOM 0 HA ILE A 81 7.091 9.492 -7.169 1.00 4.41 H new ATOM 0 HB ILE A 81 6.731 11.479 -8.430 1.00 74.22 H new ATOM 0 HG12 ILE A 81 5.099 12.726 -7.008 1.00 54.12 H new ATOM 0 HG13 ILE A 81 4.561 11.202 -6.329 1.00 54.12 H new ATOM 0 HG21 ILE A 81 4.524 12.173 -9.278 1.00 40.13 H new ATOM 0 HG22 ILE A 81 5.095 10.669 -10.039 1.00 40.13 H new ATOM 0 HG23 ILE A 81 3.847 10.608 -8.771 1.00 40.13 H new ATOM 0 HD11 ILE A 81 6.154 12.311 -4.842 1.00 60.33 H new ATOM 0 HD12 ILE A 81 6.828 10.780 -5.448 1.00 60.33 H new ATOM 0 HD13 ILE A 81 7.374 12.327 -6.138 1.00 60.33 H new ATOM 1297 N VAL A 82 5.511 7.910 -6.118 1.00 45.13 N ATOM 1298 CA VAL A 82 4.614 7.119 -5.303 1.00 31.44 C ATOM 1299 C VAL A 82 5.338 6.683 -4.036 1.00 51.30 C ATOM 1300 O VAL A 82 6.563 6.611 -4.025 1.00 20.12 O ATOM 1301 CB VAL A 82 4.088 5.893 -6.102 1.00 1.10 C ATOM 1302 CG1 VAL A 82 5.190 5.287 -6.954 1.00 43.12 C ATOM 1303 CG2 VAL A 82 3.491 4.829 -5.187 1.00 71.41 C ATOM 0 H VAL A 82 6.499 7.705 -5.968 1.00 45.13 H new ATOM 0 HA VAL A 82 3.750 7.722 -5.023 1.00 31.44 H new ATOM 0 HB VAL A 82 3.294 6.257 -6.755 1.00 1.10 H new ATOM 0 HG11 VAL A 82 4.797 4.431 -7.503 1.00 43.12 H new ATOM 0 HG12 VAL A 82 5.557 6.033 -7.659 1.00 43.12 H new ATOM 0 HG13 VAL A 82 6.009 4.961 -6.312 1.00 43.12 H new ATOM 0 HG21 VAL A 82 3.136 3.991 -5.787 1.00 71.41 H new ATOM 0 HG22 VAL A 82 4.253 4.480 -4.490 1.00 71.41 H new ATOM 0 HG23 VAL A 82 2.657 5.255 -4.629 1.00 71.41 H new ATOM 1313 N PHE A 83 4.595 6.455 -2.961 1.00 74.21 N ATOM 1314 CA PHE A 83 5.188 5.983 -1.715 1.00 72.43 C ATOM 1315 C PHE A 83 4.270 4.986 -1.013 1.00 53.04 C ATOM 1316 O PHE A 83 3.269 4.536 -1.573 1.00 72.41 O ATOM 1317 CB PHE A 83 5.497 7.150 -0.776 1.00 63.03 C ATOM 1318 CG PHE A 83 6.627 8.030 -1.233 1.00 2.40 C ATOM 1319 CD1 PHE A 83 7.943 7.632 -1.061 1.00 34.35 C ATOM 1320 CD2 PHE A 83 6.372 9.251 -1.832 1.00 72.02 C ATOM 1321 CE1 PHE A 83 8.985 8.440 -1.478 1.00 42.22 C ATOM 1322 CE2 PHE A 83 7.409 10.064 -2.250 1.00 40.41 C ATOM 1323 CZ PHE A 83 8.717 9.657 -2.073 1.00 14.31 C ATOM 0 H PHE A 83 3.584 6.588 -2.926 1.00 74.21 H new ATOM 0 HA PHE A 83 6.122 5.481 -1.969 1.00 72.43 H new ATOM 0 HB2 PHE A 83 4.600 7.759 -0.665 1.00 63.03 H new ATOM 0 HB3 PHE A 83 5.737 6.753 0.211 1.00 63.03 H new ATOM 0 HD1 PHE A 83 8.157 6.681 -0.596 1.00 34.35 H new ATOM 0 HD2 PHE A 83 5.351 9.573 -1.975 1.00 72.02 H new ATOM 0 HE1 PHE A 83 10.007 8.120 -1.339 1.00 42.22 H new ATOM 0 HE2 PHE A 83 7.197 11.016 -2.714 1.00 40.41 H new ATOM 0 HZ PHE A 83 9.529 10.290 -2.400 1.00 14.31 H new ATOM 1333 N ALA A 84 4.628 4.631 0.209 1.00 70.15 N ATOM 1334 CA ALA A 84 3.826 3.722 1.009 1.00 55.30 C ATOM 1335 C ALA A 84 4.000 4.033 2.486 1.00 53.54 C ATOM 1336 O ALA A 84 5.116 4.291 2.941 1.00 62.15 O ATOM 1337 CB ALA A 84 4.217 2.281 0.727 1.00 53.05 C ATOM 0 H ALA A 84 5.475 4.961 0.671 1.00 70.15 H new ATOM 0 HA ALA A 84 2.778 3.856 0.742 1.00 55.30 H new ATOM 0 HB1 ALA A 84 3.607 1.613 1.335 1.00 53.05 H new ATOM 0 HB2 ALA A 84 4.056 2.060 -0.328 1.00 53.05 H new ATOM 0 HB3 ALA A 84 5.269 2.135 0.972 1.00 53.05 H new ATOM 1343 N MET A 85 2.901 4.027 3.225 1.00 44.04 N ATOM 1344 CA MET A 85 2.947 4.296 4.652 1.00 55.04 C ATOM 1345 C MET A 85 1.963 3.422 5.417 1.00 44.22 C ATOM 1346 O MET A 85 0.791 3.289 5.054 1.00 13.43 O ATOM 1347 CB MET A 85 2.660 5.766 4.947 1.00 53.53 C ATOM 1348 CG MET A 85 1.325 6.251 4.405 1.00 73.03 C ATOM 1349 SD MET A 85 0.464 7.327 5.562 1.00 54.34 S ATOM 1350 CE MET A 85 -0.065 6.121 6.776 1.00 61.43 C ATOM 0 H MET A 85 1.968 3.839 2.859 1.00 44.04 H new ATOM 0 HA MET A 85 3.957 4.058 4.986 1.00 55.04 H new ATOM 0 HB2 MET A 85 2.682 5.921 6.026 1.00 53.53 H new ATOM 0 HB3 MET A 85 3.457 6.375 4.521 1.00 53.53 H new ATOM 0 HG2 MET A 85 1.489 6.785 3.469 1.00 73.03 H new ATOM 0 HG3 MET A 85 0.695 5.391 4.175 1.00 73.03 H new ATOM 0 HE1 MET A 85 -1.055 6.388 7.147 1.00 61.43 H new ATOM 0 HE2 MET A 85 -0.104 5.134 6.315 1.00 61.43 H new ATOM 0 HE3 MET A 85 0.641 6.106 7.606 1.00 61.43 H new ATOM 1360 N ALA A 86 2.442 2.836 6.486 1.00 63.40 N ATOM 1361 CA ALA A 86 1.608 2.016 7.332 1.00 74.31 C ATOM 1362 C ALA A 86 1.571 2.572 8.748 1.00 13.53 C ATOM 1363 O ALA A 86 2.416 3.390 9.120 1.00 55.33 O ATOM 1364 CB ALA A 86 2.136 0.590 7.333 1.00 24.03 C ATOM 0 H ALA A 86 3.412 2.912 6.793 1.00 63.40 H new ATOM 0 HA ALA A 86 0.590 2.021 6.942 1.00 74.31 H new ATOM 0 HB1 ALA A 86 1.507 -0.030 7.972 1.00 24.03 H new ATOM 0 HB2 ALA A 86 2.122 0.196 6.317 1.00 24.03 H new ATOM 0 HB3 ALA A 86 3.158 0.581 7.711 1.00 24.03 H new ATOM 1370 N ARG A 87 0.564 2.172 9.516 1.00 45.13 N ATOM 1371 CA ARG A 87 0.613 2.335 10.957 1.00 41.35 C ATOM 1372 C ARG A 87 1.204 1.064 11.530 1.00 5.41 C ATOM 1373 O ARG A 87 0.520 0.055 11.700 1.00 33.40 O ATOM 1374 CB ARG A 87 -0.760 2.663 11.566 1.00 21.44 C ATOM 1375 CG ARG A 87 -1.925 1.846 11.030 1.00 33.40 C ATOM 1376 CD ARG A 87 -3.229 2.243 11.717 1.00 72.40 C ATOM 1377 NE ARG A 87 -3.397 3.698 11.777 1.00 65.53 N ATOM 1378 CZ ARG A 87 -4.566 4.318 11.960 1.00 74.33 C ATOM 1379 NH1 ARG A 87 -5.689 3.619 12.081 1.00 42.22 N ATOM 1380 NH2 ARG A 87 -4.605 5.643 12.026 1.00 71.12 N ATOM 0 H ARG A 87 -0.289 1.736 9.165 1.00 45.13 H new ATOM 0 HA ARG A 87 1.236 3.193 11.211 1.00 41.35 H new ATOM 0 HB2 ARG A 87 -0.703 2.519 12.645 1.00 21.44 H new ATOM 0 HB3 ARG A 87 -0.971 3.719 11.396 1.00 21.44 H new ATOM 0 HG2 ARG A 87 -2.015 1.996 9.954 1.00 33.40 H new ATOM 0 HG3 ARG A 87 -1.734 0.785 11.189 1.00 33.40 H new ATOM 0 HD2 ARG A 87 -4.070 1.803 11.181 1.00 72.40 H new ATOM 0 HD3 ARG A 87 -3.246 1.834 12.727 1.00 72.40 H new ATOM 0 HE ARG A 87 -2.564 4.277 11.672 1.00 65.53 H new ATOM 0 HH11 ARG A 87 -5.663 2.600 12.034 1.00 42.22 H new ATOM 0 HH12 ARG A 87 -6.577 4.101 12.221 1.00 42.22 H new ATOM 0 HH21 ARG A 87 -3.745 6.184 11.937 1.00 71.12 H new ATOM 0 HH22 ARG A 87 -5.495 6.121 12.166 1.00 71.12 H new ATOM 1394 N VAL A 88 2.500 1.130 11.776 1.00 62.25 N ATOM 1395 CA VAL A 88 3.318 -0.052 11.974 1.00 14.31 C ATOM 1396 C VAL A 88 2.932 -0.869 13.204 1.00 10.51 C ATOM 1397 O VAL A 88 2.961 -0.387 14.336 1.00 22.21 O ATOM 1398 CB VAL A 88 4.818 0.314 12.027 1.00 50.12 C ATOM 1399 CG1 VAL A 88 5.075 1.493 12.955 1.00 44.01 C ATOM 1400 CG2 VAL A 88 5.644 -0.893 12.431 1.00 31.02 C ATOM 0 H VAL A 88 3.016 2.007 11.844 1.00 62.25 H new ATOM 0 HA VAL A 88 3.128 -0.687 11.109 1.00 14.31 H new ATOM 0 HB VAL A 88 5.124 0.620 11.027 1.00 50.12 H new ATOM 0 HG11 VAL A 88 6.141 1.721 12.967 1.00 44.01 H new ATOM 0 HG12 VAL A 88 4.521 2.362 12.600 1.00 44.01 H new ATOM 0 HG13 VAL A 88 4.747 1.241 13.963 1.00 44.01 H new ATOM 0 HG21 VAL A 88 6.698 -0.618 12.464 1.00 31.02 H new ATOM 0 HG22 VAL A 88 5.328 -1.237 13.416 1.00 31.02 H new ATOM 0 HG23 VAL A 88 5.500 -1.692 11.704 1.00 31.02 H new ATOM 1410 N LYS A 89 2.551 -2.109 12.941 1.00 12.33 N ATOM 1411 CA LYS A 89 2.332 -3.103 13.983 1.00 45.35 C ATOM 1412 C LYS A 89 3.288 -4.266 13.751 1.00 55.55 C ATOM 1413 O LYS A 89 4.112 -4.619 14.598 1.00 30.54 O ATOM 1414 CB LYS A 89 0.900 -3.630 13.912 1.00 1.23 C ATOM 1415 CG LYS A 89 -0.149 -2.565 13.650 1.00 62.52 C ATOM 1416 CD LYS A 89 -1.493 -3.178 13.268 1.00 3.23 C ATOM 1417 CE LYS A 89 -1.518 -3.692 11.827 1.00 25.34 C ATOM 1418 NZ LYS A 89 -0.601 -4.839 11.593 1.00 14.40 N ATOM 0 H LYS A 89 2.384 -2.457 11.997 1.00 12.33 H new ATOM 0 HA LYS A 89 2.502 -2.648 14.959 1.00 45.35 H new ATOM 0 HB2 LYS A 89 0.841 -4.382 13.125 1.00 1.23 H new ATOM 0 HB3 LYS A 89 0.664 -4.132 14.850 1.00 1.23 H new ATOM 0 HG2 LYS A 89 -0.271 -1.947 14.540 1.00 62.52 H new ATOM 0 HG3 LYS A 89 0.192 -1.908 12.850 1.00 62.52 H new ATOM 0 HD2 LYS A 89 -1.719 -4.000 13.947 1.00 3.23 H new ATOM 0 HD3 LYS A 89 -2.278 -2.433 13.398 1.00 3.23 H new ATOM 0 HE2 LYS A 89 -2.535 -3.992 11.574 1.00 25.34 H new ATOM 0 HE3 LYS A 89 -1.249 -2.878 11.154 1.00 25.34 H new ATOM 0 HZ1 LYS A 89 -0.962 -5.418 10.808 1.00 14.40 H new ATOM 0 HZ2 LYS A 89 0.346 -4.483 11.353 1.00 14.40 H new ATOM 0 HZ3 LYS A 89 -0.545 -5.420 12.454 1.00 14.40 H new ATOM 1432 N GLN A 90 3.160 -4.832 12.561 1.00 65.52 N ATOM 1433 CA GLN A 90 3.943 -5.975 12.113 1.00 14.11 C ATOM 1434 C GLN A 90 4.572 -5.628 10.766 1.00 32.04 C ATOM 1435 O GLN A 90 5.454 -6.320 10.250 1.00 65.13 O ATOM 1436 CB GLN A 90 3.001 -7.183 11.980 1.00 3.24 C ATOM 1437 CG GLN A 90 3.529 -8.306 11.105 1.00 31.50 C ATOM 1438 CD GLN A 90 2.461 -9.317 10.745 1.00 53.13 C ATOM 1439 OE1 GLN A 90 2.253 -10.306 11.450 1.00 62.13 O ATOM 1440 NE2 GLN A 90 1.781 -9.078 9.636 1.00 51.12 N ATOM 0 H GLN A 90 2.493 -4.502 11.863 1.00 65.52 H new ATOM 0 HA GLN A 90 4.735 -6.218 12.822 1.00 14.11 H new ATOM 0 HB2 GLN A 90 2.799 -7.580 12.975 1.00 3.24 H new ATOM 0 HB3 GLN A 90 2.049 -6.841 11.574 1.00 3.24 H new ATOM 0 HG2 GLN A 90 3.946 -7.883 10.191 1.00 31.50 H new ATOM 0 HG3 GLN A 90 4.343 -8.813 11.623 1.00 31.50 H new ATOM 0 HE21 GLN A 90 1.985 -8.247 9.082 1.00 51.12 H new ATOM 0 HE22 GLN A 90 1.052 -9.725 9.335 1.00 51.12 H new ATOM 1449 N ASP A 91 4.133 -4.488 10.260 1.00 2.42 N ATOM 1450 CA ASP A 91 4.366 -4.064 8.888 1.00 71.24 C ATOM 1451 C ASP A 91 5.850 -3.982 8.535 1.00 4.22 C ATOM 1452 O ASP A 91 6.231 -4.307 7.417 1.00 3.22 O ATOM 1453 CB ASP A 91 3.679 -2.715 8.669 1.00 32.13 C ATOM 1454 CG ASP A 91 2.219 -2.745 9.102 1.00 32.33 C ATOM 1455 OD1 ASP A 91 1.964 -2.856 10.333 1.00 52.02 O ATOM 1456 OD2 ASP A 91 1.330 -2.675 8.225 1.00 52.40 O ATOM 0 H ASP A 91 3.592 -3.815 10.804 1.00 2.42 H new ATOM 0 HA ASP A 91 3.943 -4.817 8.223 1.00 71.24 H new ATOM 0 HB2 ASP A 91 4.208 -1.943 9.228 1.00 32.13 H new ATOM 0 HB3 ASP A 91 3.740 -2.443 7.615 1.00 32.13 H new ATOM 1461 N LEU A 92 6.693 -3.563 9.478 1.00 72.13 N ATOM 1462 CA LEU A 92 8.130 -3.491 9.204 1.00 70.01 C ATOM 1463 C LEU A 92 8.730 -4.880 9.034 1.00 23.22 C ATOM 1464 O LEU A 92 9.569 -5.095 8.165 1.00 33.51 O ATOM 1465 CB LEU A 92 8.906 -2.701 10.276 1.00 65.02 C ATOM 1466 CG LEU A 92 8.272 -2.585 11.669 1.00 41.12 C ATOM 1467 CD1 LEU A 92 8.119 -3.940 12.339 1.00 43.35 C ATOM 1468 CD2 LEU A 92 9.103 -1.657 12.542 1.00 41.33 C ATOM 0 H LEU A 92 6.417 -3.274 10.417 1.00 72.13 H new ATOM 0 HA LEU A 92 8.232 -2.945 8.266 1.00 70.01 H new ATOM 0 HB2 LEU A 92 9.887 -3.163 10.390 1.00 65.02 H new ATOM 0 HB3 LEU A 92 9.071 -1.693 9.897 1.00 65.02 H new ATOM 0 HG LEU A 92 7.272 -2.169 11.544 1.00 41.12 H new ATOM 0 HD11 LEU A 92 7.666 -3.811 13.322 1.00 43.35 H new ATOM 0 HD12 LEU A 92 7.482 -4.578 11.727 1.00 43.35 H new ATOM 0 HD13 LEU A 92 9.099 -4.404 12.449 1.00 43.35 H new ATOM 0 HD21 LEU A 92 8.646 -1.580 13.529 1.00 41.33 H new ATOM 0 HD22 LEU A 92 10.113 -2.056 12.639 1.00 41.33 H new ATOM 0 HD23 LEU A 92 9.146 -0.669 12.084 1.00 41.33 H new ATOM 1480 N ARG A 93 8.264 -5.825 9.834 1.00 73.41 N ATOM 1481 CA ARG A 93 8.796 -7.176 9.808 1.00 23.13 C ATOM 1482 C ARG A 93 8.529 -7.797 8.448 1.00 5.23 C ATOM 1483 O ARG A 93 9.427 -8.334 7.795 1.00 44.30 O ATOM 1484 CB ARG A 93 8.141 -8.033 10.896 1.00 2.53 C ATOM 1485 CG ARG A 93 8.184 -7.420 12.286 1.00 63.24 C ATOM 1486 CD ARG A 93 9.601 -7.335 12.830 1.00 4.23 C ATOM 1487 NE ARG A 93 10.128 -8.644 13.203 1.00 51.33 N ATOM 1488 CZ ARG A 93 11.190 -8.813 13.987 1.00 71.24 C ATOM 1489 NH1 ARG A 93 11.829 -7.758 14.478 1.00 62.10 N ATOM 1490 NH2 ARG A 93 11.606 -10.033 14.293 1.00 72.05 N ATOM 0 H ARG A 93 7.516 -5.680 10.512 1.00 73.41 H new ATOM 0 HA ARG A 93 9.869 -7.134 9.993 1.00 23.13 H new ATOM 0 HB2 ARG A 93 7.101 -8.213 10.623 1.00 2.53 H new ATOM 0 HB3 ARG A 93 8.636 -9.004 10.924 1.00 2.53 H new ATOM 0 HG2 ARG A 93 7.748 -6.422 12.255 1.00 63.24 H new ATOM 0 HG3 ARG A 93 7.571 -8.015 12.963 1.00 63.24 H new ATOM 0 HD2 ARG A 93 10.250 -6.884 12.079 1.00 4.23 H new ATOM 0 HD3 ARG A 93 9.616 -6.678 13.700 1.00 4.23 H new ATOM 0 HE ARG A 93 9.657 -9.474 12.843 1.00 51.33 H new ATOM 0 HH11 ARG A 93 11.506 -6.817 14.254 1.00 62.10 H new ATOM 0 HH12 ARG A 93 12.643 -7.889 15.079 1.00 62.10 H new ATOM 0 HH21 ARG A 93 11.112 -10.847 13.927 1.00 72.05 H new ATOM 0 HH22 ARG A 93 12.420 -10.158 14.894 1.00 72.05 H new ATOM 1504 N GLU A 94 7.284 -7.687 8.014 1.00 24.15 N ATOM 1505 CA GLU A 94 6.862 -8.305 6.775 1.00 11.24 C ATOM 1506 C GLU A 94 7.399 -7.549 5.555 1.00 52.42 C ATOM 1507 O GLU A 94 8.098 -8.132 4.728 1.00 64.42 O ATOM 1508 CB GLU A 94 5.330 -8.431 6.734 1.00 32.24 C ATOM 1509 CG GLU A 94 4.576 -7.120 6.904 1.00 23.00 C ATOM 1510 CD GLU A 94 3.073 -7.315 6.954 1.00 24.10 C ATOM 1511 OE1 GLU A 94 2.485 -7.713 5.925 1.00 73.42 O ATOM 1512 OE2 GLU A 94 2.478 -7.071 8.025 1.00 12.52 O ATOM 0 H GLU A 94 6.550 -7.175 8.504 1.00 24.15 H new ATOM 0 HA GLU A 94 7.286 -9.308 6.735 1.00 11.24 H new ATOM 0 HB2 GLU A 94 5.042 -8.879 5.783 1.00 32.24 H new ATOM 0 HB3 GLU A 94 5.015 -9.119 7.519 1.00 32.24 H new ATOM 0 HG2 GLU A 94 4.906 -6.631 7.821 1.00 23.00 H new ATOM 0 HG3 GLU A 94 4.825 -6.452 6.079 1.00 23.00 H new ATOM 1519 N SER A 95 7.106 -6.253 5.468 1.00 1.24 N ATOM 1520 CA SER A 95 7.431 -5.462 4.280 1.00 45.23 C ATOM 1521 C SER A 95 8.932 -5.436 3.999 1.00 64.51 C ATOM 1522 O SER A 95 9.357 -5.350 2.849 1.00 53.32 O ATOM 1523 CB SER A 95 6.911 -4.034 4.434 1.00 21.42 C ATOM 1524 OG SER A 95 5.529 -4.031 4.743 1.00 24.21 O ATOM 0 H SER A 95 6.643 -5.726 6.208 1.00 1.24 H new ATOM 0 HA SER A 95 6.942 -5.941 3.432 1.00 45.23 H new ATOM 0 HB2 SER A 95 7.465 -3.524 5.222 1.00 21.42 H new ATOM 0 HB3 SER A 95 7.083 -3.478 3.512 1.00 21.42 H new ATOM 0 HG SER A 95 5.410 -4.124 5.711 1.00 24.21 H new ATOM 1530 N LEU A 96 9.738 -5.502 5.046 1.00 53.53 N ATOM 1531 CA LEU A 96 11.181 -5.495 4.874 1.00 71.31 C ATOM 1532 C LEU A 96 11.687 -6.870 4.454 1.00 2.11 C ATOM 1533 O LEU A 96 12.455 -6.982 3.499 1.00 45.53 O ATOM 1534 CB LEU A 96 11.875 -5.032 6.153 1.00 61.22 C ATOM 1535 CG LEU A 96 12.062 -3.510 6.292 1.00 54.54 C ATOM 1536 CD1 LEU A 96 12.906 -2.971 5.147 1.00 73.30 C ATOM 1537 CD2 LEU A 96 10.723 -2.784 6.342 1.00 12.50 C ATOM 0 H LEU A 96 9.422 -5.560 6.014 1.00 53.53 H new ATOM 0 HA LEU A 96 11.422 -4.789 4.079 1.00 71.31 H new ATOM 0 HB2 LEU A 96 11.300 -5.389 7.007 1.00 61.22 H new ATOM 0 HB3 LEU A 96 12.854 -5.507 6.207 1.00 61.22 H new ATOM 0 HG LEU A 96 12.579 -3.327 7.234 1.00 54.54 H new ATOM 0 HD11 LEU A 96 13.028 -1.894 5.261 1.00 73.30 H new ATOM 0 HD12 LEU A 96 13.885 -3.451 5.159 1.00 73.30 H new ATOM 0 HD13 LEU A 96 12.411 -3.182 4.199 1.00 73.30 H new ATOM 0 HD21 LEU A 96 10.894 -1.712 6.440 1.00 12.50 H new ATOM 0 HD22 LEU A 96 10.168 -2.980 5.425 1.00 12.50 H new ATOM 0 HD23 LEU A 96 10.148 -3.140 7.197 1.00 12.50 H new ATOM 1549 N ARG A 97 11.229 -7.916 5.146 1.00 23.45 N ATOM 1550 CA ARG A 97 11.631 -9.288 4.825 1.00 62.33 C ATOM 1551 C ARG A 97 11.127 -9.715 3.449 1.00 12.21 C ATOM 1552 O ARG A 97 11.567 -10.726 2.904 1.00 54.32 O ATOM 1553 CB ARG A 97 11.113 -10.259 5.886 1.00 44.12 C ATOM 1554 CG ARG A 97 11.903 -10.220 7.181 1.00 43.23 C ATOM 1555 CD ARG A 97 13.291 -10.806 6.992 1.00 50.34 C ATOM 1556 NE ARG A 97 14.094 -10.717 8.208 1.00 55.42 N ATOM 1557 CZ ARG A 97 14.498 -11.766 8.919 1.00 42.14 C ATOM 1558 NH1 ARG A 97 14.120 -12.994 8.578 1.00 61.34 N ATOM 1559 NH2 ARG A 97 15.267 -11.577 9.980 1.00 20.32 N ATOM 0 H ARG A 97 10.581 -7.840 5.930 1.00 23.45 H new ATOM 0 HA ARG A 97 12.721 -9.313 4.812 1.00 62.33 H new ATOM 0 HB2 ARG A 97 10.069 -10.028 6.099 1.00 44.12 H new ATOM 0 HB3 ARG A 97 11.140 -11.272 5.484 1.00 44.12 H new ATOM 0 HG2 ARG A 97 11.984 -9.191 7.530 1.00 43.23 H new ATOM 0 HG3 ARG A 97 11.371 -10.778 7.952 1.00 43.23 H new ATOM 0 HD2 ARG A 97 13.205 -11.850 6.690 1.00 50.34 H new ATOM 0 HD3 ARG A 97 13.799 -10.281 6.183 1.00 50.34 H new ATOM 0 HE ARG A 97 14.363 -9.789 8.534 1.00 55.42 H new ATOM 0 HH11 ARG A 97 13.517 -13.135 7.767 1.00 61.34 H new ATOM 0 HH12 ARG A 97 14.433 -13.795 9.127 1.00 61.34 H new ATOM 0 HH21 ARG A 97 15.545 -10.633 10.247 1.00 20.32 H new ATOM 0 HH22 ARG A 97 15.581 -12.376 10.531 1.00 20.32 H new ATOM 1573 N ALA A 98 10.199 -8.944 2.902 1.00 2.55 N ATOM 1574 CA ALA A 98 9.624 -9.232 1.597 1.00 44.33 C ATOM 1575 C ALA A 98 10.649 -9.095 0.479 1.00 42.14 C ATOM 1576 O ALA A 98 10.653 -9.882 -0.468 1.00 32.01 O ATOM 1577 CB ALA A 98 8.453 -8.304 1.323 1.00 75.44 C ATOM 0 H ALA A 98 9.825 -8.106 3.347 1.00 2.55 H new ATOM 0 HA ALA A 98 9.282 -10.267 1.617 1.00 44.33 H new ATOM 0 HB1 ALA A 98 8.031 -8.530 0.343 1.00 75.44 H new ATOM 0 HB2 ALA A 98 7.690 -8.446 2.088 1.00 75.44 H new ATOM 0 HB3 ALA A 98 8.797 -7.270 1.341 1.00 75.44 H new ATOM 1583 N ALA A 99 11.529 -8.109 0.596 1.00 51.31 N ATOM 1584 CA ALA A 99 12.386 -7.747 -0.523 1.00 53.21 C ATOM 1585 C ALA A 99 13.798 -7.361 -0.089 1.00 24.24 C ATOM 1586 O ALA A 99 14.775 -7.913 -0.598 1.00 73.11 O ATOM 1587 CB ALA A 99 11.741 -6.612 -1.294 1.00 64.41 C ATOM 0 H ALA A 99 11.667 -7.554 1.441 1.00 51.31 H new ATOM 0 HA ALA A 99 12.491 -8.626 -1.159 1.00 53.21 H new ATOM 0 HB1 ALA A 99 12.378 -6.335 -2.134 1.00 64.41 H new ATOM 0 HB2 ALA A 99 10.768 -6.932 -1.666 1.00 64.41 H new ATOM 0 HB3 ALA A 99 11.613 -5.752 -0.637 1.00 64.41 H new ATOM 1593 N SER A 100 13.899 -6.397 0.828 1.00 35.02 N ATOM 1594 CA SER A 100 15.193 -5.889 1.297 1.00 3.40 C ATOM 1595 C SER A 100 15.986 -5.202 0.174 1.00 2.24 C ATOM 1596 O SER A 100 17.205 -5.066 0.261 1.00 45.35 O ATOM 1597 CB SER A 100 16.023 -7.024 1.908 1.00 1.22 C ATOM 1598 OG SER A 100 15.382 -7.565 3.049 1.00 22.43 O ATOM 0 H SER A 100 13.094 -5.948 1.265 1.00 35.02 H new ATOM 0 HA SER A 100 14.987 -5.139 2.061 1.00 3.40 H new ATOM 0 HB2 SER A 100 16.175 -7.808 1.166 1.00 1.22 H new ATOM 0 HB3 SER A 100 17.009 -6.650 2.184 1.00 1.22 H new ATOM 0 HG SER A 100 14.442 -7.289 3.058 1.00 22.43 H new ATOM 1604 N LEU A 101 15.291 -4.723 -0.856 1.00 34.02 N ATOM 1605 CA LEU A 101 15.954 -4.071 -1.987 1.00 31.23 C ATOM 1606 C LEU A 101 16.079 -2.561 -1.749 1.00 41.22 C ATOM 1607 O LEU A 101 16.072 -1.757 -2.689 1.00 15.40 O ATOM 1608 CB LEU A 101 15.205 -4.354 -3.303 1.00 62.02 C ATOM 1609 CG LEU A 101 13.950 -3.510 -3.585 1.00 51.30 C ATOM 1610 CD1 LEU A 101 13.413 -3.815 -4.974 1.00 22.44 C ATOM 1611 CD2 LEU A 101 12.872 -3.749 -2.543 1.00 43.11 C ATOM 0 H LEU A 101 14.275 -4.773 -0.932 1.00 34.02 H new ATOM 0 HA LEU A 101 16.958 -4.487 -2.073 1.00 31.23 H new ATOM 0 HB2 LEU A 101 15.903 -4.210 -4.128 1.00 62.02 H new ATOM 0 HB3 LEU A 101 14.916 -5.405 -3.309 1.00 62.02 H new ATOM 0 HG LEU A 101 14.237 -2.460 -3.534 1.00 51.30 H new ATOM 0 HD11 LEU A 101 12.525 -3.211 -5.161 1.00 22.44 H new ATOM 0 HD12 LEU A 101 14.174 -3.581 -5.718 1.00 22.44 H new ATOM 0 HD13 LEU A 101 13.154 -4.872 -5.040 1.00 22.44 H new ATOM 0 HD21 LEU A 101 12.000 -3.136 -2.774 1.00 43.11 H new ATOM 0 HD22 LEU A 101 12.588 -4.801 -2.548 1.00 43.11 H new ATOM 0 HD23 LEU A 101 13.253 -3.481 -1.557 1.00 43.11 H new ATOM 1623 N LEU A 102 16.250 -2.184 -0.488 1.00 13.44 N ATOM 1624 CA LEU A 102 16.318 -0.778 -0.103 1.00 65.32 C ATOM 1625 C LEU A 102 17.512 -0.084 -0.746 1.00 3.33 C ATOM 1626 O LEU A 102 17.541 1.136 -0.852 1.00 11.33 O ATOM 1627 CB LEU A 102 16.400 -0.633 1.416 1.00 32.44 C ATOM 1628 CG LEU A 102 15.201 -1.182 2.188 1.00 14.12 C ATOM 1629 CD1 LEU A 102 15.362 -0.905 3.674 1.00 72.52 C ATOM 1630 CD2 LEU A 102 13.905 -0.573 1.671 1.00 23.53 C ATOM 0 H LEU A 102 16.345 -2.836 0.291 1.00 13.44 H new ATOM 0 HA LEU A 102 15.405 -0.301 -0.459 1.00 65.32 H new ATOM 0 HB2 LEU A 102 17.300 -1.140 1.765 1.00 32.44 H new ATOM 0 HB3 LEU A 102 16.515 0.423 1.658 1.00 32.44 H new ATOM 0 HG LEU A 102 15.156 -2.260 2.036 1.00 14.12 H new ATOM 0 HD11 LEU A 102 14.501 -1.301 4.213 1.00 72.52 H new ATOM 0 HD12 LEU A 102 16.270 -1.386 4.037 1.00 72.52 H new ATOM 0 HD13 LEU A 102 15.430 0.170 3.838 1.00 72.52 H new ATOM 0 HD21 LEU A 102 13.063 -0.977 2.234 1.00 23.53 H new ATOM 0 HD22 LEU A 102 13.937 0.510 1.794 1.00 23.53 H new ATOM 0 HD23 LEU A 102 13.785 -0.815 0.615 1.00 23.53 H new ATOM 1642 N ASP A 103 18.484 -0.872 -1.184 1.00 24.12 N ATOM 1643 CA ASP A 103 19.675 -0.334 -1.831 1.00 11.35 C ATOM 1644 C ASP A 103 19.339 0.352 -3.149 1.00 22.23 C ATOM 1645 O ASP A 103 20.051 1.251 -3.586 1.00 34.04 O ATOM 1646 CB ASP A 103 20.697 -1.441 -2.089 1.00 24.11 C ATOM 1647 CG ASP A 103 21.285 -2.007 -0.816 1.00 42.15 C ATOM 1648 OD1 ASP A 103 20.591 -2.788 -0.136 1.00 60.24 O ATOM 1649 OD2 ASP A 103 22.446 -1.677 -0.497 1.00 43.23 O ATOM 0 H ASP A 103 18.472 -1.889 -1.103 1.00 24.12 H new ATOM 0 HA ASP A 103 20.099 0.406 -1.152 1.00 11.35 H new ATOM 0 HB2 ASP A 103 20.221 -2.244 -2.652 1.00 24.11 H new ATOM 0 HB3 ASP A 103 21.501 -1.048 -2.712 1.00 24.11 H new ATOM 1654 N LYS A 104 18.252 -0.071 -3.781 1.00 24.51 N ATOM 1655 CA LYS A 104 17.896 0.452 -5.093 1.00 75.03 C ATOM 1656 C LYS A 104 16.595 1.254 -5.057 1.00 41.41 C ATOM 1657 O LYS A 104 16.264 1.943 -6.023 1.00 33.25 O ATOM 1658 CB LYS A 104 17.802 -0.691 -6.106 1.00 24.10 C ATOM 1659 CG LYS A 104 16.827 -1.782 -5.705 1.00 12.54 C ATOM 1660 CD LYS A 104 17.345 -3.156 -6.089 1.00 64.43 C ATOM 1661 CE LYS A 104 18.645 -3.480 -5.364 1.00 33.20 C ATOM 1662 NZ LYS A 104 19.170 -4.817 -5.738 1.00 2.04 N ATOM 0 H LYS A 104 17.607 -0.769 -3.410 1.00 24.51 H new ATOM 0 HA LYS A 104 18.684 1.138 -5.403 1.00 75.03 H new ATOM 0 HB2 LYS A 104 17.502 -0.285 -7.072 1.00 24.10 H new ATOM 0 HB3 LYS A 104 18.791 -1.130 -6.238 1.00 24.10 H new ATOM 0 HG2 LYS A 104 16.657 -1.743 -4.629 1.00 12.54 H new ATOM 0 HG3 LYS A 104 15.865 -1.607 -6.186 1.00 12.54 H new ATOM 0 HD2 LYS A 104 16.595 -3.910 -5.849 1.00 64.43 H new ATOM 0 HD3 LYS A 104 17.507 -3.198 -7.166 1.00 64.43 H new ATOM 0 HE2 LYS A 104 19.390 -2.719 -5.597 1.00 33.20 H new ATOM 0 HE3 LYS A 104 18.479 -3.444 -4.287 1.00 33.20 H new ATOM 0 HZ1 LYS A 104 20.055 -4.999 -5.223 1.00 2.04 H new ATOM 0 HZ2 LYS A 104 18.470 -5.546 -5.492 1.00 2.04 H new ATOM 0 HZ3 LYS A 104 19.353 -4.844 -6.761 1.00 2.04 H new ATOM 1676 N ILE A 105 15.845 1.150 -3.963 1.00 23.32 N ATOM 1677 CA ILE A 105 14.646 1.974 -3.799 1.00 44.31 C ATOM 1678 C ILE A 105 14.876 3.097 -2.783 1.00 4.13 C ATOM 1679 O ILE A 105 14.578 4.258 -3.051 1.00 64.13 O ATOM 1680 CB ILE A 105 13.413 1.141 -3.383 1.00 41.43 C ATOM 1681 CG1 ILE A 105 13.702 0.331 -2.119 1.00 20.31 C ATOM 1682 CG2 ILE A 105 12.991 0.224 -4.524 1.00 72.12 C ATOM 1683 CD1 ILE A 105 12.495 -0.386 -1.566 1.00 32.33 C ATOM 0 H ILE A 105 16.039 0.516 -3.188 1.00 23.32 H new ATOM 0 HA ILE A 105 14.442 2.413 -4.776 1.00 44.31 H new ATOM 0 HB ILE A 105 12.594 1.825 -3.162 1.00 41.43 H new ATOM 0 HG12 ILE A 105 14.479 -0.401 -2.338 1.00 20.31 H new ATOM 0 HG13 ILE A 105 14.099 0.998 -1.354 1.00 20.31 H new ATOM 0 HG21 ILE A 105 12.121 -0.358 -4.220 1.00 72.12 H new ATOM 0 HG22 ILE A 105 12.739 0.824 -5.398 1.00 72.12 H new ATOM 0 HG23 ILE A 105 13.811 -0.450 -4.771 1.00 72.12 H new ATOM 0 HD11 ILE A 105 12.779 -0.939 -0.670 1.00 32.33 H new ATOM 0 HD12 ILE A 105 11.723 0.341 -1.314 1.00 32.33 H new ATOM 0 HD13 ILE A 105 12.110 -1.080 -2.313 1.00 32.33 H new ATOM 1695 N GLY A 106 15.442 2.756 -1.633 1.00 33.20 N ATOM 1696 CA GLY A 106 15.667 3.742 -0.593 1.00 24.41 C ATOM 1697 C GLY A 106 14.622 3.695 0.509 1.00 31.33 C ATOM 1698 O GLY A 106 14.509 2.701 1.227 1.00 15.31 O ATOM 0 H GLY A 106 15.750 1.812 -1.401 1.00 33.20 H new ATOM 0 HA2 GLY A 106 16.653 3.583 -0.157 1.00 24.41 H new ATOM 0 HA3 GLY A 106 15.672 4.737 -1.039 1.00 24.41 H new ATOM 1702 N GLU A 107 13.850 4.769 0.630 1.00 54.25 N ATOM 1703 CA GLU A 107 12.869 4.919 1.707 1.00 0.12 C ATOM 1704 C GLU A 107 11.456 4.788 1.157 1.00 44.31 C ATOM 1705 O GLU A 107 10.515 5.401 1.664 1.00 34.10 O ATOM 1706 CB GLU A 107 13.031 6.295 2.347 1.00 32.50 C ATOM 1707 CG GLU A 107 14.429 6.571 2.863 1.00 53.44 C ATOM 1708 CD GLU A 107 14.697 8.052 3.018 1.00 22.14 C ATOM 1709 OE1 GLU A 107 15.076 8.692 2.020 1.00 44.30 O ATOM 1710 OE2 GLU A 107 14.536 8.581 4.136 1.00 3.23 O ATOM 0 H GLU A 107 13.884 5.561 -0.012 1.00 54.25 H new ATOM 0 HA GLU A 107 13.036 4.138 2.449 1.00 0.12 H new ATOM 0 HB2 GLU A 107 12.767 7.059 1.615 1.00 32.50 H new ATOM 0 HB3 GLU A 107 12.325 6.387 3.172 1.00 32.50 H new ATOM 0 HG2 GLU A 107 14.564 6.076 3.825 1.00 53.44 H new ATOM 0 HG3 GLU A 107 15.159 6.141 2.178 1.00 53.44 H new ATOM 1717 N ASP A 108 11.310 3.950 0.146 1.00 54.44 N ATOM 1718 CA ASP A 108 10.098 3.917 -0.669 1.00 5.33 C ATOM 1719 C ASP A 108 8.938 3.170 -0.004 1.00 51.02 C ATOM 1720 O ASP A 108 7.938 2.871 -0.651 1.00 32.22 O ATOM 1721 CB ASP A 108 10.422 3.330 -2.045 1.00 53.55 C ATOM 1722 CG ASP A 108 11.241 4.285 -2.898 1.00 12.31 C ATOM 1723 OD1 ASP A 108 11.945 5.146 -2.332 1.00 21.54 O ATOM 1724 OD2 ASP A 108 11.170 4.198 -4.140 1.00 15.34 O ATOM 0 H ASP A 108 12.021 3.275 -0.136 1.00 54.44 H new ATOM 0 HA ASP A 108 9.754 4.945 -0.782 1.00 5.33 H new ATOM 0 HB2 ASP A 108 10.970 2.396 -1.920 1.00 53.55 H new ATOM 0 HB3 ASP A 108 9.494 3.088 -2.563 1.00 53.55 H new ATOM 1729 N HIS A 109 9.062 2.873 1.284 1.00 71.41 N ATOM 1730 CA HIS A 109 7.923 2.401 2.075 1.00 61.33 C ATOM 1731 C HIS A 109 8.236 2.447 3.566 1.00 15.41 C ATOM 1732 O HIS A 109 9.089 1.712 4.063 1.00 53.43 O ATOM 1733 CB HIS A 109 7.415 1.004 1.646 1.00 4.23 C ATOM 1734 CG HIS A 109 8.424 -0.110 1.603 1.00 71.42 C ATOM 1735 ND1 HIS A 109 9.018 -0.641 2.723 1.00 61.41 N ATOM 1736 CD2 HIS A 109 8.874 -0.848 0.561 1.00 64.03 C ATOM 1737 CE1 HIS A 109 9.782 -1.660 2.375 1.00 4.35 C ATOM 1738 NE2 HIS A 109 9.712 -1.814 1.064 1.00 75.52 N ATOM 0 H HIS A 109 9.935 2.949 1.805 1.00 71.41 H new ATOM 0 HA HIS A 109 7.103 3.091 1.873 1.00 61.33 H new ATOM 0 HB2 HIS A 109 6.617 0.711 2.328 1.00 4.23 H new ATOM 0 HB3 HIS A 109 6.970 1.096 0.655 1.00 4.23 H new ATOM 0 HD1 HIS A 109 8.889 -0.300 3.676 1.00 61.41 H new ATOM 0 HD2 HIS A 109 8.620 -0.703 -0.479 1.00 64.03 H new ATOM 0 HE1 HIS A 109 10.367 -2.267 3.050 1.00 4.35 H new ATOM 1747 N ILE A 110 7.537 3.331 4.269 1.00 23.23 N ATOM 1748 CA ILE A 110 7.767 3.564 5.694 1.00 51.11 C ATOM 1749 C ILE A 110 6.432 3.700 6.433 1.00 41.14 C ATOM 1750 O ILE A 110 5.411 3.190 5.970 1.00 35.00 O ATOM 1751 CB ILE A 110 8.651 4.820 5.967 1.00 55.14 C ATOM 1752 CG1 ILE A 110 7.914 6.132 5.648 1.00 1.41 C ATOM 1753 CG2 ILE A 110 9.963 4.745 5.193 1.00 13.11 C ATOM 1754 CD1 ILE A 110 7.510 6.306 4.203 1.00 33.23 C ATOM 0 H ILE A 110 6.796 3.907 3.870 1.00 23.23 H new ATOM 0 HA ILE A 110 8.312 2.697 6.068 1.00 51.11 H new ATOM 0 HB ILE A 110 8.873 4.822 7.034 1.00 55.14 H new ATOM 0 HG12 ILE A 110 7.019 6.188 6.268 1.00 1.41 H new ATOM 0 HG13 ILE A 110 8.553 6.968 5.934 1.00 1.41 H new ATOM 0 HG21 ILE A 110 10.560 5.633 5.402 1.00 13.11 H new ATOM 0 HG22 ILE A 110 10.515 3.856 5.499 1.00 13.11 H new ATOM 0 HG23 ILE A 110 9.753 4.692 4.125 1.00 13.11 H new ATOM 0 HD11 ILE A 110 6.998 7.260 4.081 1.00 33.23 H new ATOM 0 HD12 ILE A 110 8.399 6.288 3.572 1.00 33.23 H new ATOM 0 HD13 ILE A 110 6.842 5.496 3.912 1.00 33.23 H new ATOM 1766 N PHE A 111 6.429 4.380 7.579 1.00 51.12 N ATOM 1767 CA PHE A 111 5.251 4.418 8.432 1.00 64.14 C ATOM 1768 C PHE A 111 4.820 5.844 8.764 1.00 72.11 C ATOM 1769 O PHE A 111 5.643 6.665 9.167 1.00 12.14 O ATOM 1770 CB PHE A 111 5.540 3.647 9.718 1.00 1.01 C ATOM 1771 CG PHE A 111 6.104 2.290 9.445 1.00 74.43 C ATOM 1772 CD1 PHE A 111 5.323 1.320 8.848 1.00 31.32 C ATOM 1773 CD2 PHE A 111 7.419 1.992 9.755 1.00 74.52 C ATOM 1774 CE1 PHE A 111 5.835 0.073 8.569 1.00 74.41 C ATOM 1775 CE2 PHE A 111 7.942 0.745 9.476 1.00 5.22 C ATOM 1776 CZ PHE A 111 7.148 -0.215 8.882 1.00 4.34 C ATOM 0 H PHE A 111 7.227 4.908 7.933 1.00 51.12 H new ATOM 0 HA PHE A 111 4.428 3.955 7.888 1.00 64.14 H new ATOM 0 HB2 PHE A 111 6.241 4.214 10.330 1.00 1.01 H new ATOM 0 HB3 PHE A 111 4.621 3.548 10.295 1.00 1.01 H new ATOM 0 HD1 PHE A 111 4.297 1.543 8.597 1.00 31.32 H new ATOM 0 HD2 PHE A 111 8.042 2.742 10.220 1.00 74.52 H new ATOM 0 HE1 PHE A 111 5.211 -0.678 8.107 1.00 74.41 H new ATOM 0 HE2 PHE A 111 8.970 0.521 9.722 1.00 5.22 H new ATOM 0 HZ PHE A 111 7.554 -1.191 8.662 1.00 4.34 H new ATOM 1786 N MET A 112 3.515 6.101 8.588 1.00 44.14 N ATOM 1787 CA MET A 112 2.861 7.364 8.985 1.00 1.42 C ATOM 1788 C MET A 112 3.647 8.617 8.570 1.00 75.12 C ATOM 1789 O MET A 112 4.489 9.103 9.327 1.00 53.24 O ATOM 1790 CB MET A 112 2.647 7.370 10.504 1.00 72.41 C ATOM 1791 CG MET A 112 1.803 8.523 11.034 1.00 34.32 C ATOM 1792 SD MET A 112 0.039 8.340 10.678 1.00 74.52 S ATOM 1793 CE MET A 112 -0.071 8.981 9.010 1.00 22.33 C ATOM 0 H MET A 112 2.874 5.432 8.161 1.00 44.14 H new ATOM 0 HA MET A 112 1.908 7.406 8.457 1.00 1.42 H new ATOM 0 HB2 MET A 112 2.174 6.431 10.792 1.00 72.41 H new ATOM 0 HB3 MET A 112 3.621 7.399 10.992 1.00 72.41 H new ATOM 0 HG2 MET A 112 1.943 8.601 12.112 1.00 34.32 H new ATOM 0 HG3 MET A 112 2.160 9.456 10.598 1.00 34.32 H new ATOM 0 HE1 MET A 112 -0.617 9.924 9.018 1.00 22.33 H new ATOM 0 HE2 MET A 112 0.932 9.146 8.617 1.00 22.33 H new ATOM 0 HE3 MET A 112 -0.595 8.264 8.378 1.00 22.33 H new ATOM 1803 N THR A 113 3.361 9.155 7.379 1.00 20.40 N ATOM 1804 CA THR A 113 4.049 10.366 6.919 1.00 62.23 C ATOM 1805 C THR A 113 3.512 10.878 5.572 1.00 21.34 C ATOM 1806 O THR A 113 3.557 12.076 5.302 1.00 72.22 O ATOM 1807 CB THR A 113 5.575 10.127 6.804 1.00 11.20 C ATOM 1808 OG1 THR A 113 6.260 11.359 6.546 1.00 41.53 O ATOM 1809 CG2 THR A 113 5.890 9.127 5.699 1.00 14.24 C ATOM 0 H THR A 113 2.672 8.780 6.727 1.00 20.40 H new ATOM 0 HA THR A 113 3.852 11.130 7.671 1.00 62.23 H new ATOM 0 HB THR A 113 5.918 9.718 7.754 1.00 11.20 H new ATOM 0 HG1 THR A 113 7.223 11.190 6.478 1.00 41.53 H new ATOM 0 HG21 THR A 113 6.968 8.978 5.640 1.00 14.24 H new ATOM 0 HG22 THR A 113 5.404 8.177 5.919 1.00 14.24 H new ATOM 0 HG23 THR A 113 5.524 9.510 4.746 1.00 14.24 H new ATOM 1817 N LEU A 114 2.978 9.976 4.745 1.00 32.04 N ATOM 1818 CA LEU A 114 2.582 10.314 3.369 1.00 75.24 C ATOM 1819 C LEU A 114 1.649 11.532 3.259 1.00 75.50 C ATOM 1820 O LEU A 114 1.876 12.378 2.397 1.00 65.33 O ATOM 1821 CB LEU A 114 1.950 9.106 2.674 1.00 13.54 C ATOM 1822 CG LEU A 114 2.820 8.435 1.608 1.00 14.11 C ATOM 1823 CD1 LEU A 114 3.031 9.360 0.415 1.00 32.53 C ATOM 1824 CD2 LEU A 114 4.155 8.007 2.200 1.00 11.21 C ATOM 0 H LEU A 114 2.808 9.004 5.002 1.00 32.04 H new ATOM 0 HA LEU A 114 3.507 10.594 2.864 1.00 75.24 H new ATOM 0 HB2 LEU A 114 1.695 8.364 3.431 1.00 13.54 H new ATOM 0 HB3 LEU A 114 1.016 9.422 2.210 1.00 13.54 H new ATOM 0 HG LEU A 114 2.299 7.545 1.255 1.00 14.11 H new ATOM 0 HD11 LEU A 114 3.652 8.860 -0.328 1.00 32.53 H new ATOM 0 HD12 LEU A 114 2.066 9.609 -0.027 1.00 32.53 H new ATOM 0 HD13 LEU A 114 3.526 10.273 0.746 1.00 32.53 H new ATOM 0 HD21 LEU A 114 4.760 7.532 1.428 1.00 11.21 H new ATOM 0 HD22 LEU A 114 4.679 8.882 2.585 1.00 11.21 H new ATOM 0 HD23 LEU A 114 3.983 7.300 3.012 1.00 11.21 H new ATOM 1836 N PRO A 115 0.583 11.647 4.093 1.00 42.44 N ATOM 1837 CA PRO A 115 -0.310 12.818 4.072 1.00 52.32 C ATOM 1838 C PRO A 115 0.458 14.142 4.098 1.00 5.34 C ATOM 1839 O PRO A 115 0.181 15.050 3.312 1.00 33.13 O ATOM 1840 CB PRO A 115 -1.171 12.668 5.341 1.00 72.13 C ATOM 1841 CG PRO A 115 -0.582 11.532 6.110 1.00 63.10 C ATOM 1842 CD PRO A 115 0.135 10.662 5.086 1.00 44.11 C ATOM 0 HA PRO A 115 -0.899 12.848 3.155 1.00 52.32 H new ATOM 0 HB2 PRO A 115 -1.159 13.585 5.930 1.00 72.13 H new ATOM 0 HB3 PRO A 115 -2.211 12.467 5.085 1.00 72.13 H new ATOM 0 HG2 PRO A 115 0.111 11.893 6.870 1.00 63.10 H new ATOM 0 HG3 PRO A 115 -1.357 10.967 6.628 1.00 63.10 H new ATOM 0 HD2 PRO A 115 0.972 10.121 5.528 1.00 44.11 H new ATOM 0 HD3 PRO A 115 -0.530 9.918 4.648 1.00 44.11 H new ATOM 1850 N THR A 116 1.435 14.236 4.989 1.00 0.04 N ATOM 1851 CA THR A 116 2.261 15.429 5.094 1.00 13.44 C ATOM 1852 C THR A 116 3.290 15.461 3.967 1.00 41.20 C ATOM 1853 O THR A 116 3.604 16.521 3.423 1.00 32.24 O ATOM 1854 CB THR A 116 2.993 15.472 6.451 1.00 65.03 C ATOM 1855 OG1 THR A 116 2.074 15.167 7.508 1.00 52.12 O ATOM 1856 CG2 THR A 116 3.611 16.839 6.699 1.00 45.03 C ATOM 0 H THR A 116 1.675 13.498 5.651 1.00 0.04 H new ATOM 0 HA THR A 116 1.607 16.297 5.016 1.00 13.44 H new ATOM 0 HB THR A 116 3.792 14.731 6.428 1.00 65.03 H new ATOM 0 HG1 THR A 116 2.544 15.194 8.368 1.00 52.12 H new ATOM 0 HG21 THR A 116 4.120 16.839 7.663 1.00 45.03 H new ATOM 0 HG22 THR A 116 4.329 17.062 5.910 1.00 45.03 H new ATOM 0 HG23 THR A 116 2.828 17.597 6.702 1.00 45.03 H new ATOM 1864 N ALA A 117 3.792 14.281 3.614 1.00 0.32 N ATOM 1865 CA ALA A 117 4.824 14.143 2.596 1.00 31.23 C ATOM 1866 C ALA A 117 4.386 14.735 1.260 1.00 44.20 C ATOM 1867 O ALA A 117 4.976 15.703 0.793 1.00 54.53 O ATOM 1868 CB ALA A 117 5.210 12.681 2.428 1.00 51.13 C ATOM 0 H ALA A 117 3.494 13.397 4.026 1.00 0.32 H new ATOM 0 HA ALA A 117 5.695 14.704 2.933 1.00 31.23 H new ATOM 0 HB1 ALA A 117 5.982 12.594 1.664 1.00 51.13 H new ATOM 0 HB2 ALA A 117 5.590 12.294 3.373 1.00 51.13 H new ATOM 0 HB3 ALA A 117 4.335 12.106 2.126 1.00 51.13 H new ATOM 1874 N VAL A 118 3.338 14.175 0.661 1.00 33.41 N ATOM 1875 CA VAL A 118 2.890 14.616 -0.662 1.00 0.02 C ATOM 1876 C VAL A 118 2.495 16.093 -0.655 1.00 74.33 C ATOM 1877 O VAL A 118 2.805 16.832 -1.597 1.00 14.30 O ATOM 1878 CB VAL A 118 1.716 13.762 -1.199 1.00 2.34 C ATOM 1879 CG1 VAL A 118 2.178 12.342 -1.482 1.00 52.25 C ATOM 1880 CG2 VAL A 118 0.542 13.756 -0.229 1.00 42.45 C ATOM 0 H VAL A 118 2.785 13.420 1.066 1.00 33.41 H new ATOM 0 HA VAL A 118 3.739 14.481 -1.332 1.00 0.02 H new ATOM 0 HB VAL A 118 1.375 14.214 -2.131 1.00 2.34 H new ATOM 0 HG11 VAL A 118 1.340 11.755 -1.859 1.00 52.25 H new ATOM 0 HG12 VAL A 118 2.973 12.360 -2.227 1.00 52.25 H new ATOM 0 HG13 VAL A 118 2.552 11.891 -0.563 1.00 52.25 H new ATOM 0 HG21 VAL A 118 -0.264 13.147 -0.638 1.00 42.45 H new ATOM 0 HG22 VAL A 118 0.862 13.341 0.727 1.00 42.45 H new ATOM 0 HG23 VAL A 118 0.187 14.776 -0.081 1.00 42.45 H new ATOM 1890 N GLN A 119 1.854 16.519 0.430 1.00 62.03 N ATOM 1891 CA GLN A 119 1.408 17.899 0.578 1.00 65.02 C ATOM 1892 C GLN A 119 2.590 18.858 0.515 1.00 22.13 C ATOM 1893 O GLN A 119 2.488 19.956 -0.034 1.00 23.20 O ATOM 1894 CB GLN A 119 0.670 18.073 1.908 1.00 75.22 C ATOM 1895 CG GLN A 119 0.099 19.468 2.110 1.00 20.41 C ATOM 1896 CD GLN A 119 -0.528 19.669 3.478 1.00 32.43 C ATOM 1897 OE1 GLN A 119 0.008 18.998 4.487 1.00 40.12 O flip ATOM 1898 NE2 GLN A 119 -1.480 20.433 3.630 1.00 44.44 N flip ATOM 0 H GLN A 119 1.631 15.921 1.226 1.00 62.03 H new ATOM 0 HA GLN A 119 0.729 18.129 -0.243 1.00 65.02 H new ATOM 0 HB2 GLN A 119 -0.141 17.346 1.962 1.00 75.22 H new ATOM 0 HB3 GLN A 119 1.354 17.848 2.726 1.00 75.22 H new ATOM 0 HG2 GLN A 119 0.893 20.202 1.971 1.00 20.41 H new ATOM 0 HG3 GLN A 119 -0.651 19.661 1.343 1.00 20.41 H new ATOM 0 HE21 GLN A 119 -1.866 20.933 2.829 1.00 44.44 H new ATOM 0 HE22 GLN A 119 -1.883 20.567 4.557 1.00 44.44 H new ATOM 1907 N ALA A 120 3.713 18.432 1.073 1.00 71.21 N ATOM 1908 CA ALA A 120 4.907 19.259 1.116 1.00 52.20 C ATOM 1909 C ALA A 120 5.758 19.080 -0.136 1.00 65.25 C ATOM 1910 O ALA A 120 6.278 20.049 -0.681 1.00 70.54 O ATOM 1911 CB ALA A 120 5.727 18.940 2.356 1.00 63.34 C ATOM 0 H ALA A 120 3.821 17.514 1.504 1.00 71.21 H new ATOM 0 HA ALA A 120 4.587 20.300 1.157 1.00 52.20 H new ATOM 0 HB1 ALA A 120 6.618 19.567 2.374 1.00 63.34 H new ATOM 0 HB2 ALA A 120 5.129 19.133 3.247 1.00 63.34 H new ATOM 0 HB3 ALA A 120 6.022 17.891 2.337 1.00 63.34 H new ATOM 1917 N PHE A 121 5.878 17.844 -0.603 1.00 33.13 N ATOM 1918 CA PHE A 121 6.798 17.526 -1.690 1.00 71.21 C ATOM 1919 C PHE A 121 6.424 18.207 -3.003 1.00 21.11 C ATOM 1920 O PHE A 121 7.294 18.743 -3.681 1.00 3.43 O ATOM 1921 CB PHE A 121 6.905 16.013 -1.893 1.00 24.53 C ATOM 1922 CG PHE A 121 7.645 15.312 -0.783 1.00 2.22 C ATOM 1923 CD1 PHE A 121 8.570 15.994 -0.008 1.00 63.31 C ATOM 1924 CD2 PHE A 121 7.413 13.972 -0.517 1.00 73.54 C ATOM 1925 CE1 PHE A 121 9.248 15.354 1.010 1.00 1.03 C ATOM 1926 CE2 PHE A 121 8.092 13.327 0.499 1.00 41.31 C ATOM 1927 CZ PHE A 121 9.009 14.020 1.265 1.00 55.31 C ATOM 0 H PHE A 121 5.351 17.046 -0.248 1.00 33.13 H new ATOM 0 HA PHE A 121 7.770 17.917 -1.390 1.00 71.21 H new ATOM 0 HB2 PHE A 121 5.903 15.593 -1.974 1.00 24.53 H new ATOM 0 HB3 PHE A 121 7.410 15.815 -2.838 1.00 24.53 H new ATOM 0 HD1 PHE A 121 8.763 17.039 -0.203 1.00 63.31 H new ATOM 0 HD2 PHE A 121 6.694 13.426 -1.110 1.00 73.54 H new ATOM 0 HE1 PHE A 121 9.965 15.898 1.607 1.00 1.03 H new ATOM 0 HE2 PHE A 121 7.906 12.281 0.694 1.00 41.31 H new ATOM 0 HZ PHE A 121 9.538 13.518 2.062 1.00 55.31 H new ATOM 1937 N ARG A 122 5.146 18.207 -3.373 1.00 13.11 N ATOM 1938 CA ARG A 122 4.764 18.822 -4.645 1.00 33.41 C ATOM 1939 C ARG A 122 4.355 20.285 -4.475 1.00 61.24 C ATOM 1940 O ARG A 122 3.626 20.832 -5.301 1.00 63.10 O ATOM 1941 CB ARG A 122 3.657 18.034 -5.360 1.00 1.41 C ATOM 1942 CG ARG A 122 2.356 17.885 -4.586 1.00 40.25 C ATOM 1943 CD ARG A 122 1.183 17.718 -5.543 1.00 55.03 C ATOM 1944 NE ARG A 122 0.138 16.847 -5.006 1.00 52.35 N ATOM 1945 CZ ARG A 122 -1.083 17.254 -4.661 1.00 75.14 C ATOM 1946 NH1 ARG A 122 -1.416 18.538 -4.732 1.00 54.52 N ATOM 1947 NH2 ARG A 122 -1.976 16.367 -4.253 1.00 70.31 N ATOM 0 H ARG A 122 4.380 17.804 -2.834 1.00 13.11 H new ATOM 0 HA ARG A 122 5.654 18.793 -5.274 1.00 33.41 H new ATOM 0 HB2 ARG A 122 3.441 18.524 -6.309 1.00 1.41 H new ATOM 0 HB3 ARG A 122 4.036 17.039 -5.594 1.00 1.41 H new ATOM 0 HG2 ARG A 122 2.417 17.022 -3.922 1.00 40.25 H new ATOM 0 HG3 ARG A 122 2.198 18.761 -3.957 1.00 40.25 H new ATOM 0 HD2 ARG A 122 0.757 18.697 -5.764 1.00 55.03 H new ATOM 0 HD3 ARG A 122 1.544 17.307 -6.486 1.00 55.03 H new ATOM 0 HE ARG A 122 0.359 15.858 -4.887 1.00 52.35 H new ATOM 0 HH11 ARG A 122 -0.734 19.225 -5.053 1.00 54.52 H new ATOM 0 HH12 ARG A 122 -2.354 18.837 -4.465 1.00 54.52 H new ATOM 0 HH21 ARG A 122 -1.728 15.379 -4.204 1.00 70.31 H new ATOM 0 HH22 ARG A 122 -2.913 16.671 -3.987 1.00 70.31 H new ATOM 1961 N ARG A 123 4.837 20.926 -3.418 1.00 70.32 N ATOM 1962 CA ARG A 123 4.599 22.352 -3.224 1.00 61.14 C ATOM 1963 C ARG A 123 5.877 23.061 -2.772 1.00 72.34 C ATOM 1964 O ARG A 123 6.090 24.229 -3.102 1.00 70.51 O ATOM 1965 CB ARG A 123 3.428 22.580 -2.245 1.00 3.34 C ATOM 1966 CG ARG A 123 3.772 23.370 -0.988 1.00 61.31 C ATOM 1967 CD ARG A 123 4.339 22.471 0.097 1.00 33.35 C ATOM 1968 NE ARG A 123 4.792 23.225 1.258 1.00 64.15 N ATOM 1969 CZ ARG A 123 4.322 23.047 2.489 1.00 44.12 C ATOM 1970 NH1 ARG A 123 3.346 22.173 2.713 1.00 1.14 N ATOM 1971 NH2 ARG A 123 4.822 23.752 3.494 1.00 15.33 N ATOM 0 H ARG A 123 5.392 20.485 -2.685 1.00 70.32 H new ATOM 0 HA ARG A 123 4.312 22.791 -4.179 1.00 61.14 H new ATOM 0 HB2 ARG A 123 2.630 23.101 -2.774 1.00 3.34 H new ATOM 0 HB3 ARG A 123 3.032 21.609 -1.947 1.00 3.34 H new ATOM 0 HG2 ARG A 123 4.496 24.148 -1.232 1.00 61.31 H new ATOM 0 HG3 ARG A 123 2.878 23.871 -0.616 1.00 61.31 H new ATOM 0 HD2 ARG A 123 3.578 21.754 0.406 1.00 33.35 H new ATOM 0 HD3 ARG A 123 5.172 21.897 -0.308 1.00 33.35 H new ATOM 0 HE ARG A 123 5.513 23.932 1.118 1.00 64.15 H new ATOM 0 HH11 ARG A 123 2.955 21.636 1.939 1.00 1.14 H new ATOM 0 HH12 ARG A 123 2.988 22.039 3.659 1.00 1.14 H new ATOM 0 HH21 ARG A 123 5.565 24.429 3.322 1.00 15.33 H new ATOM 0 HH22 ARG A 123 4.463 23.618 4.439 1.00 15.33 H new ATOM 1985 N ARG A 124 6.726 22.334 -2.033 1.00 44.33 N ATOM 1986 CA ARG A 124 8.006 22.848 -1.546 1.00 12.20 C ATOM 1987 C ARG A 124 7.806 24.076 -0.659 1.00 60.11 C ATOM 1988 O ARG A 124 8.063 25.209 -1.119 1.00 11.13 O ATOM 1989 CB ARG A 124 8.947 23.169 -2.714 1.00 0.04 C ATOM 1990 CG ARG A 124 9.246 21.973 -3.607 1.00 22.12 C ATOM 1991 CD ARG A 124 9.840 20.810 -2.824 1.00 51.05 C ATOM 1992 NE ARG A 124 10.255 19.720 -3.707 1.00 35.34 N ATOM 1993 CZ ARG A 124 11.108 18.756 -3.361 1.00 45.04 C ATOM 1994 NH1 ARG A 124 11.571 18.679 -2.120 1.00 54.54 N ATOM 1995 NH2 ARG A 124 11.484 17.852 -4.261 1.00 63.55 N ATOM 0 H ARG A 124 6.540 21.370 -1.757 1.00 44.33 H new ATOM 0 HA ARG A 124 8.468 22.068 -0.940 1.00 12.20 H new ATOM 0 HB2 ARG A 124 8.504 23.961 -3.319 1.00 0.04 H new ATOM 0 HB3 ARG A 124 9.885 23.558 -2.317 1.00 0.04 H new ATOM 0 HG2 ARG A 124 8.328 21.649 -4.097 1.00 22.12 H new ATOM 0 HG3 ARG A 124 9.939 22.272 -4.393 1.00 22.12 H new ATOM 0 HD2 ARG A 124 10.697 21.159 -2.248 1.00 51.05 H new ATOM 0 HD3 ARG A 124 9.105 20.440 -2.109 1.00 51.05 H new ATOM 0 HE ARG A 124 9.866 19.696 -4.650 1.00 35.34 H new ATOM 0 HH11 ARG A 124 11.274 19.361 -1.422 1.00 54.54 H new ATOM 0 HH12 ARG A 124 12.223 17.938 -1.864 1.00 54.54 H new ATOM 0 HH21 ARG A 124 11.120 17.898 -5.213 1.00 63.55 H new ATOM 0 HH22 ARG A 124 12.137 17.113 -4.000 1.00 63.55 H new