USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1037 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 120 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 130 THR OG1 : rot 132:sc= 0.0863 USER MOD Set 2.1: A 111 ASN : amide:sc= -0.449 X(o=-0.22,f=-0.67) USER MOD Set 2.2: A 113 THR OG1 : rot 180:sc= 0.0776 USER MOD Set 2.3: A 139 LYS NZ :NH3+ -140:sc= 0.154 (180deg=-0.153) USER MOD Set 2.4: A 141 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 74 ASN : amide:sc= -1.69 K(o=-0.28,f=-14!) USER MOD Set 3.2: A 75 SER OG : rot -44:sc= 1.41 USER MOD Single : A 4 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.13) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= -2.52! (180deg=-2.96!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 18 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.72) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0623 USER MOD Single : A 31 GLN : amide:sc= -1.25! K(o=-1.3!,f=-0.013) USER MOD Single : A 36 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.97 K(o=2,f=-12!) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -3.18! (180deg=-3.8) USER MOD Single : A 46 THR OG1 : rot -62:sc= 0.542 USER MOD Single : A 48 ASN : amide:sc= -2.54! C(o=-2.5!,f=-7.2!) USER MOD Single : A 51 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.61) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= -0.0356 (180deg=-0.343) USER MOD Single : A 58 SER OG : rot 31:sc= 0.895 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc=-0.00584 K(o=-0.0058,f=-1.4) USER MOD Single : A 64 LYS NZ :NH3+ -149:sc= 0.481 (180deg=0.00643) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.26 K(o=-0.26,f=-7.6!) USER MOD Single : A 72 MET CE :methyl -157:sc= -0.229 (180deg=-0.874) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 85:sc= 0.597 USER MOD Single : A 81 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.69) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= -3.77! (180deg=-3.91!) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 91 SER OG : rot 43:sc= 0.0444 USER MOD Single : A 95 THR OG1 : rot 46:sc= 0.0161 USER MOD Single : A 99 TYR OH : rot 52:sc= -1.3! USER MOD Single : A 103 GLN : amide:sc= -0.0672 K(o=-0.067,f=-2.5!) USER MOD Single : A 104 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.92) USER MOD Single : A 105 THR OG1 : rot -6:sc= 0.734 USER MOD Single : A 106 ASN : amide:sc= -1.09! C(o=-1.1!,f=-10!) USER MOD Single : A 107 THR OG1 : rot 152:sc= 1.26 USER MOD Single : A 112 TYR OH : rot 150:sc= -0.615 USER MOD Single : A 115 THR OG1 : rot 138:sc= 1.29 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -168:sc= 1.09 (180deg=1.05) USER MOD Single : A 125 ASN : amide:sc= -0.023 X(o=-0.023,f=-0.055) USER MOD Single : A 126 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0404) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 SER OG : rot 154:sc= 0.125 USER MOD Single : A 134 THR OG1 : rot -130:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.0938 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.196 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 3 -16.048 0.845 -7.021 1.00 1.08 N ATOM 32 CA CYS A 3 -15.170 1.862 -6.477 1.00 0.96 C ATOM 33 C CYS A 3 -14.022 2.159 -7.423 1.00 0.83 C ATOM 34 O CYS A 3 -13.075 1.382 -7.537 1.00 0.96 O ATOM 35 CB CYS A 3 -14.629 1.435 -5.117 1.00 1.25 C ATOM 36 SG CYS A 3 -15.837 1.558 -3.762 1.00 1.43 S ATOM 0 HA CYS A 3 -15.756 2.773 -6.353 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -14.279 0.405 -5.185 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -13.763 2.050 -4.874 1.00 1.25 H new ATOM 41 N GLN A 4 -14.117 3.283 -8.107 1.00 0.67 N ATOM 42 CA GLN A 4 -13.035 3.739 -8.954 1.00 0.59 C ATOM 43 C GLN A 4 -12.046 4.522 -8.110 1.00 0.54 C ATOM 44 O GLN A 4 -12.357 5.606 -7.619 1.00 0.53 O ATOM 45 CB GLN A 4 -13.577 4.606 -10.090 1.00 0.59 C ATOM 46 CG GLN A 4 -14.421 3.843 -11.100 1.00 1.45 C ATOM 47 CD GLN A 4 -13.624 2.793 -11.849 1.00 1.65 C ATOM 48 OE1 GLN A 4 -13.025 3.078 -12.886 1.00 2.29 O ATOM 49 NE2 GLN A 4 -13.613 1.574 -11.332 1.00 1.92 N ATOM 0 H GLN A 4 -14.932 3.896 -8.092 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.532 2.880 -9.399 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -14.176 5.411 -9.665 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -12.740 5.072 -10.609 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -15.253 3.363 -10.584 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -14.851 4.546 -11.814 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -14.123 1.381 -10.470 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -13.094 0.828 -11.796 1.00 1.92 H new ATOM 58 N VAL A 5 -10.868 3.955 -7.919 1.00 0.56 N ATOM 59 CA VAL A 5 -9.872 4.561 -7.061 1.00 0.57 C ATOM 60 C VAL A 5 -8.698 5.096 -7.873 1.00 0.57 C ATOM 61 O VAL A 5 -8.122 4.397 -8.711 1.00 0.66 O ATOM 62 CB VAL A 5 -9.374 3.572 -5.980 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.814 2.310 -6.608 1.00 1.00 C ATOM 64 CG2 VAL A 5 -8.337 4.227 -5.086 1.00 1.51 C ATOM 0 H VAL A 5 -10.580 3.075 -8.348 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.351 5.399 -6.555 1.00 0.57 H new ATOM 0 HB VAL A 5 -10.230 3.292 -5.366 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -8.472 1.634 -5.824 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -9.591 1.821 -7.196 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -7.976 2.567 -7.256 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -8.002 3.513 -4.334 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -7.486 4.546 -5.688 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -8.777 5.094 -4.593 1.00 1.51 H new ATOM 74 N ARG A 6 -8.381 6.355 -7.639 1.00 0.57 N ATOM 75 CA ARG A 6 -7.253 6.997 -8.283 1.00 0.64 C ATOM 76 C ARG A 6 -5.990 6.764 -7.471 1.00 0.58 C ATOM 77 O ARG A 6 -5.832 7.322 -6.386 1.00 0.65 O ATOM 78 CB ARG A 6 -7.515 8.498 -8.431 1.00 0.80 C ATOM 79 CG ARG A 6 -8.705 8.826 -9.320 1.00 1.47 C ATOM 80 CD ARG A 6 -8.465 8.385 -10.753 1.00 1.67 C ATOM 81 NE ARG A 6 -7.306 9.053 -11.340 1.00 1.92 N ATOM 82 CZ ARG A 6 -6.566 8.541 -12.320 1.00 2.75 C ATOM 83 NH1 ARG A 6 -6.841 7.340 -12.813 1.00 3.23 N ATOM 84 NH2 ARG A 6 -5.549 9.234 -12.806 1.00 3.57 N ATOM 0 H ARG A 6 -8.897 6.959 -6.999 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.120 6.565 -9.275 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -7.681 8.928 -7.443 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -6.624 8.975 -8.841 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -9.597 8.335 -8.931 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -8.895 9.899 -9.295 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -8.315 7.306 -10.781 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -9.350 8.599 -11.352 1.00 1.67 H new ATOM 0 HE ARG A 6 -7.048 9.970 -10.975 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -7.624 6.803 -12.441 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -6.269 6.954 -13.564 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -5.335 10.157 -12.429 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -4.979 8.845 -13.557 1.00 3.57 H new ATOM 98 N VAL A 7 -5.114 5.912 -7.982 1.00 0.58 N ATOM 99 CA VAL A 7 -3.842 5.639 -7.332 1.00 0.57 C ATOM 100 C VAL A 7 -2.705 6.212 -8.170 1.00 0.68 C ATOM 101 O VAL A 7 -2.549 5.864 -9.342 1.00 0.85 O ATOM 102 CB VAL A 7 -3.618 4.123 -7.116 1.00 0.64 C ATOM 103 CG1 VAL A 7 -2.325 3.871 -6.351 1.00 1.20 C ATOM 104 CG2 VAL A 7 -4.802 3.501 -6.390 1.00 1.26 C ATOM 0 H VAL A 7 -5.262 5.396 -8.849 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.860 6.115 -6.351 1.00 0.57 H new ATOM 0 HB VAL A 7 -3.532 3.651 -8.095 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -2.188 2.799 -6.211 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -1.484 4.273 -6.916 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -2.376 4.360 -5.378 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -4.623 2.435 -6.249 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -4.926 3.980 -5.419 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -5.706 3.642 -6.982 1.00 1.26 H new ATOM 114 N GLY A 8 -1.931 7.104 -7.571 1.00 0.77 N ATOM 115 CA GLY A 8 -0.865 7.764 -8.296 1.00 0.96 C ATOM 116 C GLY A 8 0.437 6.992 -8.253 1.00 0.75 C ATOM 117 O GLY A 8 0.843 6.503 -7.197 1.00 0.86 O ATOM 0 H GLY A 8 -2.022 7.383 -6.594 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.168 7.900 -9.334 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -0.707 8.758 -7.877 1.00 0.96 H new ATOM 121 N ASP A 9 1.078 6.866 -9.409 1.00 0.57 N ATOM 122 CA ASP A 9 2.395 6.246 -9.500 1.00 0.45 C ATOM 123 C ASP A 9 3.435 7.185 -8.908 1.00 0.50 C ATOM 124 O ASP A 9 3.622 8.297 -9.401 1.00 0.73 O ATOM 125 CB ASP A 9 2.757 5.943 -10.959 1.00 0.56 C ATOM 126 CG ASP A 9 1.779 5.003 -11.634 1.00 1.37 C ATOM 127 OD1 ASP A 9 0.783 5.490 -12.214 1.00 1.77 O ATOM 128 OD2 ASP A 9 2.002 3.775 -11.595 1.00 2.18 O ATOM 0 H ASP A 9 0.704 7.187 -10.302 1.00 0.57 H new ATOM 0 HA ASP A 9 2.376 5.308 -8.945 1.00 0.45 H new ATOM 0 HB2 ASP A 9 2.797 6.878 -11.518 1.00 0.56 H new ATOM 0 HB3 ASP A 9 3.755 5.506 -10.996 1.00 0.56 H new ATOM 133 N LEU A 10 4.101 6.754 -7.849 1.00 0.52 N ATOM 134 CA LEU A 10 5.038 7.623 -7.151 1.00 0.65 C ATOM 135 C LEU A 10 6.460 7.081 -7.210 1.00 0.49 C ATOM 136 O LEU A 10 6.823 6.198 -6.435 1.00 0.57 O ATOM 137 CB LEU A 10 4.633 7.790 -5.681 1.00 0.95 C ATOM 138 CG LEU A 10 3.217 8.313 -5.431 1.00 0.76 C ATOM 139 CD1 LEU A 10 2.983 8.498 -3.941 1.00 1.05 C ATOM 140 CD2 LEU A 10 2.984 9.622 -6.175 1.00 1.41 C ATOM 0 H LEU A 10 4.013 5.817 -7.456 1.00 0.52 H new ATOM 0 HA LEU A 10 5.008 8.589 -7.655 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.736 6.825 -5.185 1.00 0.95 H new ATOM 0 HB3 LEU A 10 5.340 8.470 -5.205 1.00 0.95 H new ATOM 0 HG LEU A 10 2.506 7.578 -5.809 1.00 0.76 H new ATOM 0 HD11 LEU A 10 1.972 8.871 -3.775 1.00 1.05 H new ATOM 0 HD12 LEU A 10 3.106 7.542 -3.432 1.00 1.05 H new ATOM 0 HD13 LEU A 10 3.703 9.214 -3.546 1.00 1.05 H new ATOM 0 HD21 LEU A 10 1.971 9.975 -5.982 1.00 1.41 H new ATOM 0 HD22 LEU A 10 3.700 10.369 -5.831 1.00 1.41 H new ATOM 0 HD23 LEU A 10 3.115 9.461 -7.245 1.00 1.41 H new ATOM 152 N THR A 11 7.266 7.595 -8.126 1.00 0.49 N ATOM 153 CA THR A 11 8.680 7.273 -8.127 1.00 0.47 C ATOM 154 C THR A 11 9.460 8.442 -7.527 1.00 0.53 C ATOM 155 O THR A 11 9.508 9.536 -8.089 1.00 0.66 O ATOM 156 CB THR A 11 9.205 6.916 -9.544 1.00 0.63 C ATOM 157 OG1 THR A 11 10.606 6.604 -9.495 1.00 1.03 O ATOM 158 CG2 THR A 11 8.965 8.039 -10.546 1.00 0.99 C ATOM 0 H THR A 11 6.968 8.228 -8.868 1.00 0.49 H new ATOM 0 HA THR A 11 8.829 6.382 -7.516 1.00 0.47 H new ATOM 0 HB THR A 11 8.646 6.043 -9.881 1.00 0.63 H new ATOM 0 HG1 THR A 11 10.923 6.379 -10.395 1.00 1.03 H new ATOM 0 HG21 THR A 11 9.349 7.744 -11.522 1.00 0.99 H new ATOM 0 HG22 THR A 11 7.896 8.237 -10.621 1.00 0.99 H new ATOM 0 HG23 THR A 11 9.479 8.941 -10.212 1.00 0.99 H new ATOM 166 N VAL A 12 10.056 8.200 -6.367 1.00 0.52 N ATOM 167 CA VAL A 12 10.736 9.244 -5.598 1.00 0.63 C ATOM 168 C VAL A 12 11.842 8.606 -4.758 1.00 0.48 C ATOM 169 O VAL A 12 11.700 7.461 -4.320 1.00 0.57 O ATOM 170 CB VAL A 12 9.757 10.000 -4.653 1.00 0.82 C ATOM 171 CG1 VAL A 12 10.479 11.069 -3.846 1.00 1.45 C ATOM 172 CG2 VAL A 12 8.603 10.628 -5.418 1.00 1.45 C ATOM 0 H VAL A 12 10.084 7.279 -5.930 1.00 0.52 H new ATOM 0 HA VAL A 12 11.149 9.965 -6.304 1.00 0.63 H new ATOM 0 HB VAL A 12 9.350 9.256 -3.968 1.00 0.82 H new ATOM 0 HG11 VAL A 12 9.767 11.578 -3.197 1.00 1.45 H new ATOM 0 HG12 VAL A 12 11.256 10.604 -3.239 1.00 1.45 H new ATOM 0 HG13 VAL A 12 10.933 11.792 -4.524 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.944 11.146 -4.721 1.00 1.45 H new ATOM 0 HG22 VAL A 12 8.993 11.340 -6.145 1.00 1.45 H new ATOM 0 HG23 VAL A 12 8.044 9.849 -5.937 1.00 1.45 H new ATOM 182 N ALA A 13 12.919 9.345 -4.520 1.00 0.44 N ATOM 183 CA ALA A 13 14.076 8.812 -3.810 1.00 0.43 C ATOM 184 C ALA A 13 13.978 9.019 -2.295 1.00 0.45 C ATOM 185 O ALA A 13 13.859 10.151 -1.819 1.00 0.57 O ATOM 186 CB ALA A 13 15.350 9.446 -4.348 1.00 0.59 C ATOM 0 H ALA A 13 13.015 10.318 -4.809 1.00 0.44 H new ATOM 0 HA ALA A 13 14.099 7.736 -3.984 1.00 0.43 H new ATOM 0 HB1 ALA A 13 16.210 9.044 -3.813 1.00 0.59 H new ATOM 0 HB2 ALA A 13 15.446 9.223 -5.411 1.00 0.59 H new ATOM 0 HB3 ALA A 13 15.307 10.526 -4.206 1.00 0.59 H new ATOM 192 N LYS A 14 14.019 7.914 -1.545 1.00 0.43 N ATOM 193 CA LYS A 14 14.094 7.969 -0.083 1.00 0.50 C ATOM 194 C LYS A 14 14.976 6.846 0.444 1.00 0.41 C ATOM 195 O LYS A 14 15.444 5.993 -0.315 1.00 0.41 O ATOM 196 CB LYS A 14 12.728 7.835 0.606 1.00 0.67 C ATOM 197 CG LYS A 14 11.589 8.561 -0.068 1.00 1.47 C ATOM 198 CD LYS A 14 10.860 7.658 -1.039 1.00 2.23 C ATOM 199 CE LYS A 14 9.738 8.402 -1.714 1.00 2.52 C ATOM 200 NZ LYS A 14 9.087 7.582 -2.773 1.00 3.42 N ATOM 0 H LYS A 14 14.001 6.969 -1.928 1.00 0.43 H new ATOM 0 HA LYS A 14 14.505 8.952 0.148 1.00 0.50 H new ATOM 0 HB2 LYS A 14 12.475 6.777 0.670 1.00 0.67 H new ATOM 0 HB3 LYS A 14 12.818 8.204 1.628 1.00 0.67 H new ATOM 0 HG2 LYS A 14 10.892 8.927 0.685 1.00 1.47 H new ATOM 0 HG3 LYS A 14 11.973 9.433 -0.597 1.00 1.47 H new ATOM 0 HD2 LYS A 14 11.557 7.282 -1.788 1.00 2.23 H new ATOM 0 HD3 LYS A 14 10.463 6.792 -0.510 1.00 2.23 H new ATOM 0 HE2 LYS A 14 8.995 8.691 -0.971 1.00 2.52 H new ATOM 0 HE3 LYS A 14 10.125 9.322 -2.153 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 8.278 8.103 -3.167 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 9.773 7.384 -3.529 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 8.755 6.686 -2.363 1.00 3.42 H new ATOM 214 N THR A 15 15.182 6.849 1.751 1.00 0.46 N ATOM 215 CA THR A 15 15.839 5.756 2.440 1.00 0.44 C ATOM 216 C THR A 15 14.837 5.019 3.324 1.00 0.44 C ATOM 217 O THR A 15 13.886 5.617 3.821 1.00 0.50 O ATOM 218 CB THR A 15 17.002 6.271 3.300 1.00 0.49 C ATOM 219 OG1 THR A 15 16.861 7.682 3.505 1.00 0.63 O ATOM 220 CG2 THR A 15 18.338 5.968 2.648 1.00 0.52 C ATOM 0 H THR A 15 14.897 7.613 2.364 1.00 0.46 H new ATOM 0 HA THR A 15 16.237 5.072 1.691 1.00 0.44 H new ATOM 0 HB THR A 15 16.974 5.760 4.262 1.00 0.49 H new ATOM 0 HG1 THR A 15 17.603 8.008 4.055 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.144 6.344 3.278 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.446 4.890 2.524 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.385 6.452 1.672 1.00 0.52 H new ATOM 228 N ARG A 16 15.050 3.723 3.526 1.00 0.40 N ATOM 229 CA ARG A 16 14.135 2.932 4.343 1.00 0.43 C ATOM 230 C ARG A 16 14.543 3.039 5.801 1.00 0.46 C ATOM 231 O ARG A 16 13.886 2.497 6.688 1.00 0.55 O ATOM 232 CB ARG A 16 14.094 1.458 3.916 1.00 0.50 C ATOM 233 CG ARG A 16 13.875 1.240 2.423 1.00 0.57 C ATOM 234 CD ARG A 16 15.194 1.183 1.664 1.00 0.68 C ATOM 235 NE ARG A 16 15.015 1.375 0.228 1.00 1.22 N ATOM 236 CZ ARG A 16 15.389 2.479 -0.419 1.00 2.43 C ATOM 237 NH1 ARG A 16 16.068 3.417 0.225 1.00 3.01 N ATOM 238 NH2 ARG A 16 15.129 2.629 -1.716 1.00 3.14 N ATOM 0 H ARG A 16 15.838 3.202 3.141 1.00 0.40 H new ATOM 0 HA ARG A 16 13.132 3.334 4.201 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.031 0.982 4.207 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.297 0.956 4.465 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.325 0.312 2.267 1.00 0.57 H new ATOM 0 HG3 ARG A 16 13.260 2.046 2.024 1.00 0.57 H new ATOM 0 HD2 ARG A 16 15.866 1.949 2.050 1.00 0.68 H new ATOM 0 HD3 ARG A 16 15.672 0.220 1.843 1.00 0.68 H new ATOM 0 HE ARG A 16 14.581 0.624 -0.309 1.00 1.22 H new ATOM 0 HH11 ARG A 16 16.302 3.292 1.210 1.00 3.01 H new ATOM 0 HH12 ARG A 16 16.357 4.264 -0.264 1.00 3.01 H new ATOM 0 HH21 ARG A 16 14.638 1.894 -2.226 1.00 3.14 H new ATOM 0 HH22 ARG A 16 15.420 3.478 -2.200 1.00 3.14 H new ATOM 252 N GLY A 17 15.658 3.721 6.026 1.00 0.47 N ATOM 253 CA GLY A 17 16.090 4.037 7.370 1.00 0.58 C ATOM 254 C GLY A 17 15.484 5.340 7.827 1.00 0.61 C ATOM 255 O GLY A 17 15.284 5.564 9.020 1.00 0.75 O ATOM 0 H GLY A 17 16.276 4.064 5.291 1.00 0.47 H new ATOM 0 HA2 GLY A 17 15.799 3.236 8.050 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.177 4.104 7.403 1.00 0.58 H new ATOM 259 N GLN A 18 15.200 6.208 6.858 1.00 0.58 N ATOM 260 CA GLN A 18 14.448 7.423 7.117 1.00 0.70 C ATOM 261 C GLN A 18 13.031 7.044 7.520 1.00 0.64 C ATOM 262 O GLN A 18 12.394 7.710 8.336 1.00 0.72 O ATOM 263 CB GLN A 18 14.427 8.316 5.874 1.00 0.86 C ATOM 264 CG GLN A 18 13.701 9.631 6.094 1.00 1.02 C ATOM 265 CD GLN A 18 14.345 10.473 7.179 1.00 1.49 C ATOM 266 OE1 GLN A 18 15.561 10.425 7.377 1.00 2.00 O ATOM 267 NE2 GLN A 18 13.538 11.235 7.901 1.00 2.17 N ATOM 0 H GLN A 18 15.482 6.087 5.885 1.00 0.58 H new ATOM 0 HA GLN A 18 14.923 7.982 7.923 1.00 0.70 H new ATOM 0 HB2 GLN A 18 15.452 8.522 5.565 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.949 7.777 5.056 1.00 0.86 H new ATOM 0 HG2 GLN A 18 13.686 10.195 5.161 1.00 1.02 H new ATOM 0 HG3 GLN A 18 12.664 9.430 6.362 1.00 1.02 H new ATOM 0 HE21 GLN A 18 12.537 11.247 7.705 1.00 2.17 H new ATOM 0 HE22 GLN A 18 13.917 11.810 8.653 1.00 2.17 H new ATOM 276 N LEU A 19 12.552 5.961 6.923 1.00 0.60 N ATOM 277 CA LEU A 19 11.315 5.337 7.344 1.00 0.62 C ATOM 278 C LEU A 19 11.501 4.771 8.748 1.00 0.78 C ATOM 279 O LEU A 19 12.033 3.679 8.924 1.00 1.61 O ATOM 280 CB LEU A 19 10.924 4.217 6.375 1.00 0.62 C ATOM 281 CG LEU A 19 10.621 4.647 4.940 1.00 0.52 C ATOM 282 CD1 LEU A 19 10.431 3.425 4.053 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.379 5.520 4.900 1.00 0.89 C ATOM 0 H LEU A 19 13.010 5.496 6.139 1.00 0.60 H new ATOM 0 HA LEU A 19 10.517 6.080 7.347 1.00 0.62 H new ATOM 0 HB2 LEU A 19 11.732 3.486 6.351 1.00 0.62 H new ATOM 0 HB3 LEU A 19 10.046 3.709 6.774 1.00 0.62 H new ATOM 0 HG LEU A 19 11.466 5.225 4.566 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.216 3.745 3.034 1.00 0.92 H new ATOM 0 HD12 LEU A 19 11.341 2.825 4.060 1.00 0.92 H new ATOM 0 HD13 LEU A 19 9.600 2.828 4.429 1.00 0.92 H new ATOM 0 HD21 LEU A 19 9.177 5.818 3.871 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.528 4.961 5.290 1.00 0.89 H new ATOM 0 HD23 LEU A 19 9.539 6.409 5.510 1.00 0.89 H new ATOM 295 N THR A 20 11.092 5.528 9.745 1.00 0.68 N ATOM 296 CA THR A 20 11.274 5.131 11.126 1.00 0.69 C ATOM 297 C THR A 20 9.953 4.618 11.693 1.00 0.66 C ATOM 298 O THR A 20 9.340 5.225 12.572 1.00 0.73 O ATOM 299 CB THR A 20 11.844 6.301 11.963 1.00 0.80 C ATOM 300 OG1 THR A 20 11.956 5.938 13.346 1.00 1.51 O ATOM 301 CG2 THR A 20 10.990 7.553 11.818 1.00 1.65 C ATOM 0 H THR A 20 10.628 6.428 9.623 1.00 0.68 H new ATOM 0 HA THR A 20 12.001 4.320 11.174 1.00 0.69 H new ATOM 0 HB THR A 20 12.840 6.520 11.579 1.00 0.80 H new ATOM 0 HG1 THR A 20 12.320 6.693 13.854 1.00 1.51 H new ATOM 0 HG21 THR A 20 11.417 8.356 12.418 1.00 1.65 H new ATOM 0 HG22 THR A 20 10.964 7.856 10.771 1.00 1.65 H new ATOM 0 HG23 THR A 20 9.977 7.344 12.160 1.00 1.65 H new ATOM 309 N ASP A 21 9.516 3.490 11.140 1.00 0.61 N ATOM 310 CA ASP A 21 8.221 2.896 11.457 1.00 0.61 C ATOM 311 C ASP A 21 7.085 3.801 10.993 1.00 0.58 C ATOM 312 O ASP A 21 6.543 3.619 9.906 1.00 0.73 O ATOM 313 CB ASP A 21 8.078 2.577 12.951 1.00 0.69 C ATOM 314 CG ASP A 21 6.704 2.029 13.288 1.00 1.18 C ATOM 315 OD1 ASP A 21 6.326 0.984 12.723 1.00 1.38 O ATOM 316 OD2 ASP A 21 6.004 2.643 14.117 1.00 1.83 O ATOM 0 H ASP A 21 10.054 2.959 10.455 1.00 0.61 H new ATOM 0 HA ASP A 21 8.163 1.951 10.918 1.00 0.61 H new ATOM 0 HB2 ASP A 21 8.838 1.852 13.241 1.00 0.69 H new ATOM 0 HB3 ASP A 21 8.261 3.480 13.533 1.00 0.69 H new ATOM 321 N ALA A 22 6.761 4.802 11.791 1.00 0.65 N ATOM 322 CA ALA A 22 5.671 5.702 11.469 1.00 0.68 C ATOM 323 C ALA A 22 6.192 6.947 10.762 1.00 0.62 C ATOM 324 O ALA A 22 6.318 8.015 11.362 1.00 0.72 O ATOM 325 CB ALA A 22 4.891 6.075 12.720 1.00 0.82 C ATOM 0 H ALA A 22 7.238 5.012 12.668 1.00 0.65 H new ATOM 0 HA ALA A 22 4.992 5.186 10.790 1.00 0.68 H new ATOM 0 HB1 ALA A 22 4.078 6.751 12.454 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.480 5.174 13.174 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.555 6.568 13.430 1.00 0.82 H new ATOM 331 N ALA A 23 6.526 6.795 9.492 1.00 0.59 N ATOM 332 CA ALA A 23 6.997 7.907 8.681 1.00 0.59 C ATOM 333 C ALA A 23 6.462 7.788 7.261 1.00 0.64 C ATOM 334 O ALA A 23 6.979 7.015 6.460 1.00 0.79 O ATOM 335 CB ALA A 23 8.520 7.964 8.678 1.00 0.71 C ATOM 0 H ALA A 23 6.479 5.905 8.996 1.00 0.59 H new ATOM 0 HA ALA A 23 6.624 8.834 9.116 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.852 8.803 8.066 1.00 0.71 H new ATOM 0 HB2 ALA A 23 8.881 8.094 9.698 1.00 0.71 H new ATOM 0 HB3 ALA A 23 8.918 7.036 8.268 1.00 0.71 H new ATOM 341 N PRO A 24 5.391 8.526 6.946 1.00 0.62 N ATOM 342 CA PRO A 24 4.780 8.507 5.617 1.00 0.72 C ATOM 343 C PRO A 24 5.588 9.294 4.593 1.00 0.78 C ATOM 344 O PRO A 24 5.526 10.524 4.545 1.00 1.12 O ATOM 345 CB PRO A 24 3.421 9.168 5.844 1.00 0.79 C ATOM 346 CG PRO A 24 3.640 10.089 6.997 1.00 0.75 C ATOM 347 CD PRO A 24 4.677 9.428 7.868 1.00 0.63 C ATOM 0 HA PRO A 24 4.718 7.497 5.213 1.00 0.72 H new ATOM 0 HB2 PRO A 24 3.092 9.712 4.959 1.00 0.79 H new ATOM 0 HB3 PRO A 24 2.652 8.428 6.068 1.00 0.79 H new ATOM 0 HG2 PRO A 24 3.983 11.066 6.656 1.00 0.75 H new ATOM 0 HG3 PRO A 24 2.714 10.251 7.548 1.00 0.75 H new ATOM 0 HD2 PRO A 24 5.351 10.160 8.313 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.217 8.878 8.689 1.00 0.63 H new ATOM 355 N ILE A 25 6.362 8.591 3.784 1.00 0.58 N ATOM 356 CA ILE A 25 7.148 9.246 2.746 1.00 0.64 C ATOM 357 C ILE A 25 6.660 8.814 1.367 1.00 0.59 C ATOM 358 O ILE A 25 7.303 9.052 0.343 1.00 0.95 O ATOM 359 CB ILE A 25 8.655 8.961 2.907 1.00 0.92 C ATOM 360 CG1 ILE A 25 9.029 9.005 4.389 1.00 1.73 C ATOM 361 CG2 ILE A 25 9.473 9.990 2.132 1.00 1.37 C ATOM 362 CD1 ILE A 25 10.510 8.835 4.660 1.00 2.58 C ATOM 0 H ILE A 25 6.465 7.577 3.822 1.00 0.58 H new ATOM 0 HA ILE A 25 7.010 10.322 2.849 1.00 0.64 H new ATOM 0 HB ILE A 25 8.874 7.970 2.509 1.00 0.92 H new ATOM 0 HG12 ILE A 25 8.701 9.957 4.807 1.00 1.73 H new ATOM 0 HG13 ILE A 25 8.483 8.221 4.914 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.535 9.777 2.254 1.00 1.37 H new ATOM 0 HG22 ILE A 25 9.212 9.941 1.075 1.00 1.37 H new ATOM 0 HG23 ILE A 25 9.257 10.988 2.513 1.00 1.37 H new ATOM 0 HD11 ILE A 25 10.691 8.878 5.734 1.00 2.58 H new ATOM 0 HD12 ILE A 25 10.842 7.871 4.275 1.00 2.58 H new ATOM 0 HD13 ILE A 25 11.064 9.633 4.166 1.00 2.58 H new ATOM 374 N GLY A 26 5.504 8.171 1.355 1.00 0.62 N ATOM 375 CA GLY A 26 4.835 7.878 0.107 1.00 0.74 C ATOM 376 C GLY A 26 3.350 8.188 0.176 1.00 0.56 C ATOM 377 O GLY A 26 2.531 7.285 0.035 1.00 0.65 O ATOM 0 H GLY A 26 5.016 7.846 2.190 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.291 8.459 -0.695 1.00 0.74 H new ATOM 0 HA3 GLY A 26 4.975 6.826 -0.142 1.00 0.74 H new ATOM 381 N PRO A 27 2.966 9.454 0.436 1.00 0.48 N ATOM 382 CA PRO A 27 1.557 9.858 0.464 1.00 0.44 C ATOM 383 C PRO A 27 0.879 9.735 -0.900 1.00 0.48 C ATOM 384 O PRO A 27 1.094 10.552 -1.799 1.00 0.61 O ATOM 385 CB PRO A 27 1.600 11.322 0.912 1.00 0.51 C ATOM 386 CG PRO A 27 2.977 11.783 0.576 1.00 0.66 C ATOM 387 CD PRO A 27 3.860 10.583 0.754 1.00 0.67 C ATOM 0 HA PRO A 27 0.974 9.217 1.126 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.847 11.916 0.395 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.401 11.415 1.980 1.00 0.51 H new ATOM 0 HG2 PRO A 27 3.026 12.157 -0.446 1.00 0.66 H new ATOM 0 HG3 PRO A 27 3.288 12.598 1.229 1.00 0.66 H new ATOM 0 HD2 PRO A 27 4.721 10.615 0.086 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.247 10.516 1.771 1.00 0.67 H new ATOM 395 N VAL A 28 0.069 8.701 -1.045 1.00 0.45 N ATOM 396 CA VAL A 28 -0.673 8.474 -2.271 1.00 0.54 C ATOM 397 C VAL A 28 -2.019 9.182 -2.200 1.00 0.57 C ATOM 398 O VAL A 28 -2.799 8.958 -1.271 1.00 0.58 O ATOM 399 CB VAL A 28 -0.903 6.967 -2.526 1.00 0.65 C ATOM 400 CG1 VAL A 28 -1.610 6.742 -3.855 1.00 1.18 C ATOM 401 CG2 VAL A 28 0.414 6.205 -2.486 1.00 1.07 C ATOM 0 H VAL A 28 -0.092 8.000 -0.322 1.00 0.45 H new ATOM 0 HA VAL A 28 -0.082 8.875 -3.095 1.00 0.54 H new ATOM 0 HB VAL A 28 -1.544 6.586 -1.731 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -1.760 5.674 -4.011 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -2.576 7.246 -3.843 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -1.001 7.145 -4.664 1.00 1.18 H new ATOM 0 HG21 VAL A 28 0.228 5.147 -2.668 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.082 6.593 -3.255 1.00 1.07 H new ATOM 0 HG23 VAL A 28 0.876 6.329 -1.507 1.00 1.07 H new ATOM 411 N THR A 29 -2.279 10.045 -3.171 1.00 0.61 N ATOM 412 CA THR A 29 -3.536 10.764 -3.234 1.00 0.67 C ATOM 413 C THR A 29 -4.637 9.874 -3.799 1.00 0.65 C ATOM 414 O THR A 29 -4.856 9.818 -5.012 1.00 0.75 O ATOM 415 CB THR A 29 -3.390 12.037 -4.081 1.00 0.79 C ATOM 416 OG1 THR A 29 -2.517 11.776 -5.193 1.00 1.64 O ATOM 417 CG2 THR A 29 -2.833 13.180 -3.244 1.00 1.37 C ATOM 0 H THR A 29 -1.631 10.263 -3.928 1.00 0.61 H new ATOM 0 HA THR A 29 -3.813 11.054 -2.220 1.00 0.67 H new ATOM 0 HB THR A 29 -4.374 12.328 -4.448 1.00 0.79 H new ATOM 0 HG1 THR A 29 -2.425 12.588 -5.734 1.00 1.64 H new ATOM 0 HG21 THR A 29 -2.738 14.072 -3.863 1.00 1.37 H new ATOM 0 HG22 THR A 29 -3.508 13.386 -2.414 1.00 1.37 H new ATOM 0 HG23 THR A 29 -1.853 12.902 -2.855 1.00 1.37 H new ATOM 425 N VAL A 30 -5.309 9.161 -2.911 1.00 0.62 N ATOM 426 CA VAL A 30 -6.336 8.212 -3.301 1.00 0.61 C ATOM 427 C VAL A 30 -7.701 8.861 -3.334 1.00 0.62 C ATOM 428 O VAL A 30 -8.197 9.340 -2.326 1.00 0.87 O ATOM 429 CB VAL A 30 -6.369 7.000 -2.347 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.666 6.214 -2.483 1.00 0.76 C ATOM 431 CG2 VAL A 30 -5.180 6.098 -2.626 1.00 1.01 C ATOM 0 H VAL A 30 -5.159 9.224 -1.904 1.00 0.62 H new ATOM 0 HA VAL A 30 -6.085 7.867 -4.304 1.00 0.61 H new ATOM 0 HB VAL A 30 -6.315 7.373 -1.324 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.653 5.368 -1.796 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -8.510 6.861 -2.246 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -7.765 5.849 -3.505 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -5.206 5.243 -1.951 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -5.223 5.748 -3.657 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -4.256 6.655 -2.471 1.00 1.01 H new ATOM 441 N GLN A 31 -8.294 8.868 -4.504 1.00 0.49 N ATOM 442 CA GLN A 31 -9.650 9.350 -4.673 1.00 0.52 C ATOM 443 C GLN A 31 -10.550 8.185 -5.049 1.00 0.49 C ATOM 444 O GLN A 31 -10.285 7.481 -6.021 1.00 0.54 O ATOM 445 CB GLN A 31 -9.693 10.435 -5.748 1.00 0.62 C ATOM 446 CG GLN A 31 -11.070 11.041 -5.956 1.00 1.15 C ATOM 447 CD GLN A 31 -11.063 12.156 -6.982 1.00 1.59 C ATOM 448 OE1 GLN A 31 -12.053 12.386 -7.672 1.00 2.48 O ATOM 449 NE2 GLN A 31 -9.944 12.860 -7.086 1.00 1.86 N ATOM 0 H GLN A 31 -7.855 8.542 -5.365 1.00 0.49 H new ATOM 0 HA GLN A 31 -10.003 9.786 -3.739 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -8.995 11.228 -5.478 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -9.347 10.012 -6.691 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -11.762 10.262 -6.275 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -11.441 11.427 -5.007 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -9.144 12.637 -6.494 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -9.883 13.625 -7.758 1.00 1.86 H new ATOM 458 N ALA A 32 -11.595 7.973 -4.267 1.00 0.53 N ATOM 459 CA ALA A 32 -12.485 6.841 -4.474 1.00 0.54 C ATOM 460 C ALA A 32 -13.886 7.309 -4.852 1.00 0.56 C ATOM 461 O ALA A 32 -14.556 7.989 -4.073 1.00 0.70 O ATOM 462 CB ALA A 32 -12.532 5.972 -3.225 1.00 0.61 C ATOM 0 H ALA A 32 -11.849 8.571 -3.481 1.00 0.53 H new ATOM 0 HA ALA A 32 -12.094 6.247 -5.300 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.202 5.129 -3.394 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -11.531 5.602 -3.001 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -12.897 6.562 -2.384 1.00 0.61 H new ATOM 468 N LEU A 33 -14.311 6.953 -6.055 1.00 0.54 N ATOM 469 CA LEU A 33 -15.638 7.306 -6.537 1.00 0.64 C ATOM 470 C LEU A 33 -16.682 6.352 -5.972 1.00 0.75 C ATOM 471 O LEU A 33 -16.612 5.144 -6.197 1.00 0.84 O ATOM 472 CB LEU A 33 -15.696 7.274 -8.071 1.00 0.74 C ATOM 473 CG LEU A 33 -15.027 8.452 -8.796 1.00 1.28 C ATOM 474 CD1 LEU A 33 -13.519 8.469 -8.575 1.00 1.90 C ATOM 475 CD2 LEU A 33 -15.340 8.399 -10.282 1.00 1.94 C ATOM 0 H LEU A 33 -13.752 6.417 -6.719 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.853 8.320 -6.199 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -15.229 6.350 -8.413 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -16.742 7.234 -8.374 1.00 0.74 H new ATOM 0 HG LEU A 33 -15.432 9.372 -8.376 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -13.083 9.317 -9.104 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -13.308 8.559 -7.509 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -13.085 7.543 -8.954 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -14.861 9.239 -10.785 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -14.966 7.464 -10.700 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -16.419 8.456 -10.429 1.00 1.94 H new ATOM 487 N GLY A 34 -17.640 6.901 -5.237 1.00 0.85 N ATOM 488 CA GLY A 34 -18.712 6.094 -4.694 1.00 1.06 C ATOM 489 C GLY A 34 -18.342 5.464 -3.370 1.00 0.98 C ATOM 490 O GLY A 34 -17.957 6.163 -2.432 1.00 1.81 O ATOM 0 H GLY A 34 -17.693 7.893 -5.007 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.600 6.713 -4.564 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.971 5.311 -5.407 1.00 1.06 H new ATOM 494 N CYS A 35 -18.466 4.141 -3.300 1.00 0.96 N ATOM 495 CA CYS A 35 -18.135 3.379 -2.096 1.00 0.86 C ATOM 496 C CYS A 35 -19.050 3.757 -0.934 1.00 0.96 C ATOM 497 O CYS A 35 -18.695 3.537 0.218 1.00 1.88 O ATOM 498 CB CYS A 35 -16.679 3.618 -1.679 1.00 0.84 C ATOM 499 SG CYS A 35 -15.457 3.403 -3.009 1.00 1.18 S ATOM 0 H CYS A 35 -18.798 3.566 -4.075 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.276 2.325 -2.336 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -16.591 4.630 -1.284 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -16.433 2.936 -0.865 1.00 0.84 H new ATOM 504 N ASN A 36 -20.239 4.271 -1.251 1.00 0.79 N ATOM 505 CA ASN A 36 -21.151 4.842 -0.251 1.00 0.72 C ATOM 506 C ASN A 36 -21.355 3.903 0.932 1.00 0.69 C ATOM 507 O ASN A 36 -21.368 4.335 2.086 1.00 0.80 O ATOM 508 CB ASN A 36 -22.509 5.168 -0.881 1.00 0.76 C ATOM 509 CG ASN A 36 -22.427 6.253 -1.940 1.00 1.29 C ATOM 510 OD1 ASN A 36 -22.556 7.442 -1.643 1.00 1.75 O ATOM 511 ND2 ASN A 36 -22.215 5.853 -3.185 1.00 2.14 N ATOM 0 H ASN A 36 -20.599 4.305 -2.205 1.00 0.79 H new ATOM 0 HA ASN A 36 -20.689 5.759 0.115 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.923 4.264 -1.327 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -23.200 5.483 -0.099 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -22.153 6.539 -3.938 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -22.113 4.859 -3.391 1.00 2.14 H new ATOM 518 N ALA A 37 -21.515 2.623 0.642 1.00 0.65 N ATOM 519 CA ALA A 37 -21.672 1.626 1.686 1.00 0.74 C ATOM 520 C ALA A 37 -20.548 0.599 1.623 1.00 0.70 C ATOM 521 O ALA A 37 -20.696 -0.525 2.101 1.00 0.94 O ATOM 522 CB ALA A 37 -23.025 0.941 1.557 1.00 0.93 C ATOM 0 H ALA A 37 -21.540 2.250 -0.307 1.00 0.65 H new ATOM 0 HA ALA A 37 -21.623 2.127 2.653 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -23.132 0.195 2.345 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.819 1.683 1.649 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -23.095 0.454 0.584 1.00 0.93 H new ATOM 528 N ARG A 38 -19.410 0.996 1.066 1.00 0.59 N ATOM 529 CA ARG A 38 -18.328 0.059 0.815 1.00 0.61 C ATOM 530 C ARG A 38 -17.045 0.477 1.524 1.00 0.50 C ATOM 531 O ARG A 38 -16.753 1.669 1.662 1.00 0.50 O ATOM 532 CB ARG A 38 -18.060 -0.019 -0.689 1.00 0.71 C ATOM 533 CG ARG A 38 -17.377 -1.302 -1.145 1.00 0.98 C ATOM 534 CD ARG A 38 -18.261 -2.529 -0.939 1.00 2.02 C ATOM 535 NE ARG A 38 -18.320 -2.954 0.462 1.00 2.78 N ATOM 536 CZ ARG A 38 -19.433 -3.362 1.079 1.00 3.70 C ATOM 537 NH1 ARG A 38 -20.582 -3.420 0.420 1.00 4.05 N ATOM 538 NH2 ARG A 38 -19.383 -3.731 2.351 1.00 4.64 N ATOM 0 H ARG A 38 -19.215 1.956 0.782 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.633 -0.913 1.202 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -19.007 0.081 -1.219 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.441 0.830 -0.979 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -17.115 -1.217 -2.200 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.445 -1.431 -0.595 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -19.269 -2.309 -1.290 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -17.883 -3.350 -1.548 1.00 2.02 H new ATOM 0 HE ARG A 38 -17.455 -2.937 1.002 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -20.620 -3.152 -0.564 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -21.428 -3.732 0.897 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -18.497 -3.703 2.856 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -20.230 -4.043 2.825 1.00 4.64 H new ATOM 552 N GLN A 39 -16.285 -0.513 1.974 1.00 0.48 N ATOM 553 CA GLN A 39 -14.955 -0.275 2.501 1.00 0.42 C ATOM 554 C GLN A 39 -13.968 -0.187 1.343 1.00 0.42 C ATOM 555 O GLN A 39 -14.162 -0.814 0.301 1.00 0.62 O ATOM 556 CB GLN A 39 -14.526 -1.399 3.454 1.00 0.47 C ATOM 557 CG GLN A 39 -15.496 -1.667 4.599 1.00 0.64 C ATOM 558 CD GLN A 39 -16.520 -2.744 4.276 1.00 0.87 C ATOM 559 OE1 GLN A 39 -16.908 -2.933 3.122 1.00 1.75 O ATOM 560 NE2 GLN A 39 -16.965 -3.457 5.300 1.00 1.40 N ATOM 0 H GLN A 39 -16.572 -1.492 1.983 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.966 0.660 3.061 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.401 -2.317 2.879 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.551 -1.150 3.872 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -14.932 -1.964 5.483 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.017 -0.743 4.850 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -16.619 -3.269 6.241 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -17.654 -4.194 5.148 1.00 1.40 H new ATOM 569 N VAL A 40 -12.919 0.593 1.521 1.00 0.36 N ATOM 570 CA VAL A 40 -11.881 0.706 0.510 1.00 0.38 C ATOM 571 C VAL A 40 -10.627 0.022 1.017 1.00 0.35 C ATOM 572 O VAL A 40 -10.201 0.277 2.140 1.00 0.41 O ATOM 573 CB VAL A 40 -11.568 2.178 0.165 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.444 2.266 -0.862 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.817 2.881 -0.350 1.00 0.54 C ATOM 0 H VAL A 40 -12.762 1.158 2.355 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.238 0.226 -0.401 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.238 2.679 1.075 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -10.241 3.312 -1.090 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.545 1.801 -0.458 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.742 1.748 -1.773 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.579 3.918 -0.588 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -13.175 2.375 -1.247 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.592 2.854 0.416 1.00 0.54 H new ATOM 585 N ALA A 41 -10.051 -0.851 0.200 1.00 0.29 N ATOM 586 CA ALA A 41 -8.910 -1.634 0.609 1.00 0.28 C ATOM 587 C ALA A 41 -7.864 -1.665 -0.481 1.00 0.26 C ATOM 588 O ALA A 41 -8.188 -1.810 -1.656 1.00 0.35 O ATOM 589 CB ALA A 41 -9.337 -3.047 0.943 1.00 0.36 C ATOM 0 H ALA A 41 -10.364 -1.029 -0.754 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.480 -1.169 1.496 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.467 -3.627 1.250 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -10.064 -3.025 1.755 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.789 -3.508 0.065 1.00 0.36 H new ATOM 595 N LEU A 42 -6.615 -1.583 -0.086 1.00 0.27 N ATOM 596 CA LEU A 42 -5.522 -1.599 -1.034 1.00 0.31 C ATOM 597 C LEU A 42 -4.860 -2.965 -1.031 1.00 0.31 C ATOM 598 O LEU A 42 -4.907 -3.678 -0.028 1.00 0.48 O ATOM 599 CB LEU A 42 -4.514 -0.518 -0.661 1.00 0.39 C ATOM 600 CG LEU A 42 -5.145 0.827 -0.309 1.00 0.52 C ATOM 601 CD1 LEU A 42 -4.098 1.797 0.211 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.863 1.415 -1.516 1.00 0.84 C ATOM 0 H LEU A 42 -6.328 -1.504 0.890 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.902 -1.399 -2.036 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -3.924 -0.864 0.188 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.824 -0.377 -1.493 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.877 0.660 0.481 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.572 2.748 0.455 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.632 1.384 1.106 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.338 1.956 -0.554 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -6.306 2.373 -1.245 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -5.150 1.561 -2.328 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.648 0.732 -1.841 1.00 0.84 H new ATOM 614 N LYS A 43 -4.304 -3.347 -2.166 1.00 0.34 N ATOM 615 CA LYS A 43 -3.595 -4.611 -2.288 1.00 0.37 C ATOM 616 C LYS A 43 -2.306 -4.361 -3.028 1.00 0.38 C ATOM 617 O LYS A 43 -2.215 -3.427 -3.820 1.00 0.53 O ATOM 618 CB LYS A 43 -4.416 -5.670 -3.052 1.00 0.42 C ATOM 619 CG LYS A 43 -5.860 -5.806 -2.593 1.00 0.49 C ATOM 620 CD LYS A 43 -6.728 -4.722 -3.207 1.00 1.00 C ATOM 621 CE LYS A 43 -8.128 -4.773 -2.650 1.00 1.29 C ATOM 622 NZ LYS A 43 -8.115 -4.873 -1.171 1.00 1.93 N ATOM 0 H LYS A 43 -4.329 -2.796 -3.024 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.412 -4.998 -1.286 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -4.408 -5.420 -4.113 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -3.923 -6.637 -2.948 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.244 -6.787 -2.873 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.908 -5.743 -1.506 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.289 -3.744 -3.009 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -6.758 -4.845 -4.290 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.675 -3.879 -2.952 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -8.658 -5.628 -3.070 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -9.073 -4.703 -0.803 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -7.800 -5.824 -0.890 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -7.463 -4.163 -0.781 1.00 1.93 H new ATOM 636 N ALA A 44 -1.304 -5.162 -2.762 1.00 0.36 N ATOM 637 CA ALA A 44 -0.074 -5.068 -3.509 1.00 0.37 C ATOM 638 C ALA A 44 -0.162 -5.949 -4.743 1.00 0.34 C ATOM 639 O ALA A 44 -0.963 -6.884 -4.792 1.00 0.36 O ATOM 640 CB ALA A 44 1.101 -5.457 -2.638 1.00 0.41 C ATOM 0 H ALA A 44 -1.315 -5.882 -2.039 1.00 0.36 H new ATOM 0 HA ALA A 44 0.080 -4.038 -3.830 1.00 0.37 H new ATOM 0 HB1 ALA A 44 2.023 -5.381 -3.215 1.00 0.41 H new ATOM 0 HB2 ALA A 44 1.155 -4.788 -1.779 1.00 0.41 H new ATOM 0 HB3 ALA A 44 0.973 -6.482 -2.291 1.00 0.41 H new ATOM 646 N ASP A 45 0.634 -5.637 -5.743 1.00 0.36 N ATOM 647 CA ASP A 45 0.666 -6.437 -6.952 1.00 0.39 C ATOM 648 C ASP A 45 1.707 -7.538 -6.788 1.00 0.37 C ATOM 649 O ASP A 45 2.451 -7.544 -5.812 1.00 0.35 O ATOM 650 CB ASP A 45 0.968 -5.571 -8.180 1.00 0.45 C ATOM 651 CG ASP A 45 0.482 -6.203 -9.477 1.00 0.57 C ATOM 652 OD1 ASP A 45 1.111 -7.172 -9.953 1.00 0.64 O ATOM 653 OD2 ASP A 45 -0.535 -5.736 -10.029 1.00 0.71 O ATOM 0 H ASP A 45 1.267 -4.837 -5.745 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.314 -6.887 -7.112 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.497 -4.596 -8.057 1.00 0.45 H new ATOM 0 HB3 ASP A 45 2.043 -5.400 -8.244 1.00 0.45 H new ATOM 658 N THR A 46 1.754 -8.448 -7.743 1.00 0.47 N ATOM 659 CA THR A 46 2.575 -9.646 -7.673 1.00 0.55 C ATOM 660 C THR A 46 4.038 -9.374 -7.291 1.00 0.47 C ATOM 661 O THR A 46 4.707 -10.251 -6.740 1.00 0.56 O ATOM 662 CB THR A 46 2.526 -10.349 -9.032 1.00 0.76 C ATOM 663 OG1 THR A 46 2.765 -9.394 -10.080 1.00 1.40 O ATOM 664 CG2 THR A 46 1.180 -11.030 -9.247 1.00 0.99 C ATOM 0 H THR A 46 1.214 -8.376 -8.605 1.00 0.47 H new ATOM 0 HA THR A 46 2.165 -10.271 -6.880 1.00 0.55 H new ATOM 0 HB THR A 46 3.302 -11.115 -9.052 1.00 0.76 H new ATOM 0 HG1 THR A 46 2.062 -8.712 -10.067 1.00 1.40 H new ATOM 0 HG21 THR A 46 1.172 -11.522 -10.220 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.018 -11.771 -8.464 1.00 0.99 H new ATOM 0 HG23 THR A 46 0.385 -10.285 -9.211 1.00 0.99 H new ATOM 672 N ASP A 47 4.523 -8.165 -7.568 1.00 0.42 N ATOM 673 CA ASP A 47 5.917 -7.818 -7.298 1.00 0.50 C ATOM 674 C ASP A 47 6.207 -7.824 -5.802 1.00 0.43 C ATOM 675 O ASP A 47 7.264 -8.285 -5.366 1.00 0.47 O ATOM 676 CB ASP A 47 6.252 -6.431 -7.860 1.00 0.66 C ATOM 677 CG ASP A 47 5.930 -6.297 -9.331 1.00 1.42 C ATOM 678 OD1 ASP A 47 6.679 -6.848 -10.168 1.00 1.72 O ATOM 679 OD2 ASP A 47 4.923 -5.640 -9.658 1.00 2.22 O ATOM 0 H ASP A 47 3.973 -7.411 -7.978 1.00 0.42 H new ATOM 0 HA ASP A 47 6.536 -8.571 -7.787 1.00 0.50 H new ATOM 0 HB2 ASP A 47 5.699 -5.676 -7.302 1.00 0.66 H new ATOM 0 HB3 ASP A 47 7.312 -6.229 -7.706 1.00 0.66 H new ATOM 684 N ASN A 48 5.252 -7.346 -5.015 1.00 0.38 N ATOM 685 CA ASN A 48 5.458 -7.180 -3.582 1.00 0.39 C ATOM 686 C ASN A 48 4.301 -7.779 -2.782 1.00 0.37 C ATOM 687 O ASN A 48 4.120 -7.449 -1.613 1.00 0.42 O ATOM 688 CB ASN A 48 5.624 -5.689 -3.223 1.00 0.50 C ATOM 689 CG ASN A 48 4.395 -4.852 -3.531 1.00 0.65 C ATOM 690 OD1 ASN A 48 3.678 -5.097 -4.501 1.00 1.35 O ATOM 691 ND2 ASN A 48 4.147 -3.847 -2.705 1.00 1.19 N ATOM 0 H ASN A 48 4.328 -7.067 -5.344 1.00 0.38 H new ATOM 0 HA ASN A 48 6.372 -7.713 -3.319 1.00 0.39 H new ATOM 0 HB2 ASN A 48 5.856 -5.603 -2.162 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.476 -5.284 -3.770 1.00 0.50 H new ATOM 0 HD21 ASN A 48 3.339 -3.245 -2.862 1.00 1.19 H new ATOM 0 HD22 ASN A 48 4.764 -3.675 -1.911 1.00 1.19 H new ATOM 698 N PHE A 49 3.532 -8.660 -3.413 1.00 0.35 N ATOM 699 CA PHE A 49 2.418 -9.332 -2.746 1.00 0.36 C ATOM 700 C PHE A 49 2.615 -10.838 -2.826 1.00 0.38 C ATOM 701 O PHE A 49 2.374 -11.453 -3.867 1.00 0.39 O ATOM 702 CB PHE A 49 1.103 -8.929 -3.421 1.00 0.38 C ATOM 703 CG PHE A 49 -0.174 -9.321 -2.717 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.598 -8.655 -1.575 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.987 -10.314 -3.243 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.803 -8.972 -0.977 1.00 0.42 C ATOM 707 CE2 PHE A 49 -2.188 -10.643 -2.639 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.599 -9.968 -1.508 1.00 0.46 C ATOM 0 H PHE A 49 3.659 -8.927 -4.389 1.00 0.35 H new ATOM 0 HA PHE A 49 2.381 -9.037 -1.697 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.103 -7.846 -3.545 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.087 -9.364 -4.420 1.00 0.38 H new ATOM 0 HD1 PHE A 49 0.021 -7.880 -1.149 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.679 -10.838 -4.136 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -2.123 -8.440 -0.093 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.803 -11.428 -3.053 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.540 -10.218 -1.040 1.00 0.46 H new ATOM 718 N GLU A 50 3.075 -11.427 -1.736 1.00 0.44 N ATOM 719 CA GLU A 50 3.295 -12.863 -1.688 1.00 0.52 C ATOM 720 C GLU A 50 2.227 -13.538 -0.838 1.00 0.52 C ATOM 721 O GLU A 50 2.286 -13.505 0.393 1.00 0.54 O ATOM 722 CB GLU A 50 4.708 -13.192 -1.180 1.00 0.65 C ATOM 723 CG GLU A 50 5.161 -12.356 0.009 1.00 1.22 C ATOM 724 CD GLU A 50 6.542 -12.739 0.504 1.00 1.82 C ATOM 725 OE1 GLU A 50 7.543 -12.303 -0.106 1.00 2.41 O ATOM 726 OE2 GLU A 50 6.636 -13.462 1.516 1.00 2.15 O ATOM 0 H GLU A 50 3.303 -10.934 -0.873 1.00 0.44 H new ATOM 0 HA GLU A 50 3.216 -13.255 -2.702 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.745 -14.245 -0.903 1.00 0.65 H new ATOM 0 HB3 GLU A 50 5.416 -13.053 -1.997 1.00 0.65 H new ATOM 0 HG2 GLU A 50 5.160 -11.303 -0.272 1.00 1.22 H new ATOM 0 HG3 GLU A 50 4.444 -12.470 0.822 1.00 1.22 H new ATOM 733 N GLN A 51 1.221 -14.091 -1.522 1.00 0.63 N ATOM 734 CA GLN A 51 0.109 -14.816 -0.898 1.00 0.76 C ATOM 735 C GLN A 51 -0.852 -13.860 -0.193 1.00 0.72 C ATOM 736 O GLN A 51 -2.065 -13.932 -0.388 1.00 1.07 O ATOM 737 CB GLN A 51 0.618 -15.886 0.076 1.00 0.87 C ATOM 738 CG GLN A 51 -0.486 -16.750 0.666 1.00 1.71 C ATOM 739 CD GLN A 51 -1.257 -17.521 -0.389 1.00 2.56 C ATOM 740 OE1 GLN A 51 -0.714 -17.891 -1.431 1.00 2.92 O ATOM 741 NE2 GLN A 51 -2.528 -17.771 -0.130 1.00 3.43 N ATOM 0 H GLN A 51 1.155 -14.047 -2.539 1.00 0.63 H new ATOM 0 HA GLN A 51 -0.439 -15.318 -1.695 1.00 0.76 H new ATOM 0 HB2 GLN A 51 1.331 -16.527 -0.442 1.00 0.87 H new ATOM 0 HB3 GLN A 51 1.159 -15.399 0.887 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -0.051 -17.452 1.377 1.00 1.71 H new ATOM 0 HG3 GLN A 51 -1.176 -16.118 1.224 1.00 1.71 H new ATOM 0 HE21 GLN A 51 -2.943 -17.449 0.744 1.00 3.43 H new ATOM 0 HE22 GLN A 51 -3.094 -18.286 -0.804 1.00 3.43 H new ATOM 750 N GLY A 52 -0.303 -12.975 0.621 1.00 0.56 N ATOM 751 CA GLY A 52 -1.108 -12.006 1.329 1.00 0.52 C ATOM 752 C GLY A 52 -0.269 -11.141 2.238 1.00 0.48 C ATOM 753 O GLY A 52 -0.673 -10.820 3.354 1.00 0.52 O ATOM 0 H GLY A 52 0.698 -12.911 0.805 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.635 -11.377 0.612 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -1.867 -12.523 1.917 1.00 0.52 H new ATOM 757 N LYS A 53 0.915 -10.785 1.765 1.00 0.47 N ATOM 758 CA LYS A 53 1.798 -9.886 2.489 1.00 0.47 C ATOM 759 C LYS A 53 2.380 -8.885 1.504 1.00 0.42 C ATOM 760 O LYS A 53 2.793 -9.273 0.412 1.00 0.41 O ATOM 761 CB LYS A 53 2.957 -10.647 3.146 1.00 0.53 C ATOM 762 CG LYS A 53 2.567 -11.857 3.986 1.00 1.01 C ATOM 763 CD LYS A 53 1.841 -11.459 5.259 1.00 0.65 C ATOM 764 CE LYS A 53 1.738 -12.618 6.244 1.00 1.27 C ATOM 765 NZ LYS A 53 3.074 -13.038 6.751 1.00 2.12 N ATOM 0 H LYS A 53 1.289 -11.109 0.873 1.00 0.47 H new ATOM 0 HA LYS A 53 1.221 -9.390 3.270 1.00 0.47 H new ATOM 0 HB2 LYS A 53 3.640 -10.977 2.363 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.510 -9.953 3.779 1.00 0.53 H new ATOM 0 HG2 LYS A 53 1.930 -12.516 3.397 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.462 -12.424 4.242 1.00 1.01 H new ATOM 0 HD2 LYS A 53 2.365 -10.628 5.731 1.00 0.65 H new ATOM 0 HD3 LYS A 53 0.841 -11.105 5.010 1.00 0.65 H new ATOM 0 HE2 LYS A 53 1.107 -12.326 7.083 1.00 1.27 H new ATOM 0 HE3 LYS A 53 1.252 -13.464 5.759 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 2.958 -13.568 7.638 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 3.539 -13.643 6.044 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 3.659 -12.196 6.925 1.00 2.12 H new ATOM 779 N PHE A 54 2.404 -7.612 1.870 1.00 0.44 N ATOM 780 CA PHE A 54 3.035 -6.610 1.028 1.00 0.41 C ATOM 781 C PHE A 54 4.244 -5.984 1.709 1.00 0.39 C ATOM 782 O PHE A 54 4.309 -5.880 2.937 1.00 0.44 O ATOM 783 CB PHE A 54 2.044 -5.535 0.541 1.00 0.43 C ATOM 784 CG PHE A 54 1.125 -4.926 1.574 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.585 -4.530 2.820 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.220 -4.737 1.273 1.00 0.41 C ATOM 787 CE1 PHE A 54 0.725 -3.965 3.746 1.00 0.56 C ATOM 788 CE2 PHE A 54 -1.081 -4.172 2.193 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.608 -3.787 3.431 1.00 0.51 C ATOM 0 H PHE A 54 1.999 -7.252 2.734 1.00 0.44 H new ATOM 0 HA PHE A 54 3.389 -7.134 0.140 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.617 -4.730 0.082 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.427 -5.974 -0.243 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.627 -4.664 3.071 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.596 -5.036 0.306 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.096 -3.664 4.714 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -2.123 -4.032 1.944 1.00 0.44 H new ATOM 0 HZ PHE A 54 -1.280 -3.347 4.153 1.00 0.51 H new ATOM 799 N PHE A 55 5.204 -5.585 0.890 1.00 0.37 N ATOM 800 CA PHE A 55 6.482 -5.088 1.369 1.00 0.36 C ATOM 801 C PHE A 55 7.144 -4.223 0.308 1.00 0.42 C ATOM 802 O PHE A 55 6.589 -4.015 -0.773 1.00 0.55 O ATOM 803 CB PHE A 55 7.414 -6.262 1.725 1.00 0.36 C ATOM 804 CG PHE A 55 7.509 -7.310 0.649 1.00 0.39 C ATOM 805 CD1 PHE A 55 6.534 -8.287 0.524 1.00 0.53 C ATOM 806 CD2 PHE A 55 8.574 -7.319 -0.233 1.00 0.41 C ATOM 807 CE1 PHE A 55 6.618 -9.249 -0.459 1.00 0.59 C ATOM 808 CE2 PHE A 55 8.665 -8.283 -1.220 1.00 0.48 C ATOM 809 CZ PHE A 55 7.684 -9.249 -1.331 1.00 0.54 C ATOM 0 H PHE A 55 5.118 -5.597 -0.126 1.00 0.37 H new ATOM 0 HA PHE A 55 6.302 -4.488 2.261 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.411 -5.873 1.929 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.060 -6.729 2.644 1.00 0.36 H new ATOM 0 HD1 PHE A 55 5.697 -8.294 1.206 1.00 0.53 H new ATOM 0 HD2 PHE A 55 9.343 -6.565 -0.150 1.00 0.41 H new ATOM 0 HE1 PHE A 55 5.849 -10.002 -0.546 1.00 0.59 H new ATOM 0 HE2 PHE A 55 9.502 -8.281 -1.903 1.00 0.48 H new ATOM 0 HZ PHE A 55 7.753 -10.003 -2.101 1.00 0.54 H new ATOM 819 N LEU A 56 8.320 -3.712 0.631 1.00 0.37 N ATOM 820 CA LEU A 56 9.157 -3.036 -0.341 1.00 0.44 C ATOM 821 C LEU A 56 10.140 -4.041 -0.919 1.00 0.44 C ATOM 822 O LEU A 56 11.007 -4.541 -0.203 1.00 0.53 O ATOM 823 CB LEU A 56 9.936 -1.885 0.306 1.00 0.53 C ATOM 824 CG LEU A 56 9.112 -0.930 1.168 1.00 0.81 C ATOM 825 CD1 LEU A 56 10.015 0.080 1.858 1.00 1.53 C ATOM 826 CD2 LEU A 56 8.068 -0.215 0.329 1.00 1.27 C ATOM 0 H LEU A 56 8.718 -3.754 1.569 1.00 0.37 H new ATOM 0 HA LEU A 56 8.522 -2.622 -1.124 1.00 0.44 H new ATOM 0 HB2 LEU A 56 10.729 -2.309 0.922 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.419 -1.308 -0.483 1.00 0.53 H new ATOM 0 HG LEU A 56 8.600 -1.517 1.930 1.00 0.81 H new ATOM 0 HD11 LEU A 56 9.411 0.752 2.467 1.00 1.53 H new ATOM 0 HD12 LEU A 56 10.728 -0.444 2.494 1.00 1.53 H new ATOM 0 HD13 LEU A 56 10.555 0.658 1.108 1.00 1.53 H new ATOM 0 HD21 LEU A 56 7.492 0.460 0.962 1.00 1.27 H new ATOM 0 HD22 LEU A 56 8.562 0.357 -0.456 1.00 1.27 H new ATOM 0 HD23 LEU A 56 7.399 -0.948 -0.122 1.00 1.27 H new ATOM 838 N ILE A 57 9.989 -4.368 -2.189 1.00 0.42 N ATOM 839 CA ILE A 57 10.918 -5.275 -2.838 1.00 0.45 C ATOM 840 C ILE A 57 11.800 -4.495 -3.806 1.00 0.46 C ATOM 841 O ILE A 57 11.344 -3.562 -4.467 1.00 0.52 O ATOM 842 CB ILE A 57 10.192 -6.432 -3.573 1.00 0.53 C ATOM 843 CG1 ILE A 57 11.201 -7.453 -4.114 1.00 0.57 C ATOM 844 CG2 ILE A 57 9.318 -5.908 -4.698 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.969 -8.183 -3.032 1.00 0.57 C ATOM 0 H ILE A 57 9.239 -4.023 -2.788 1.00 0.42 H new ATOM 0 HA ILE A 57 11.536 -5.731 -2.065 1.00 0.45 H new ATOM 0 HB ILE A 57 9.548 -6.930 -2.848 1.00 0.53 H new ATOM 0 HG12 ILE A 57 10.672 -8.183 -4.727 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.908 -6.941 -4.766 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.823 -6.743 -5.193 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.567 -5.231 -4.290 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.935 -5.373 -5.419 1.00 0.62 H new ATOM 0 HD11 ILE A 57 12.663 -8.888 -3.491 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.526 -7.463 -2.433 1.00 0.57 H new ATOM 0 HD13 ILE A 57 11.271 -8.724 -2.393 1.00 0.57 H new ATOM 857 N SER A 58 13.069 -4.848 -3.852 1.00 0.52 N ATOM 858 CA SER A 58 14.019 -4.145 -4.691 1.00 0.62 C ATOM 859 C SER A 58 13.888 -4.596 -6.139 1.00 0.72 C ATOM 860 O SER A 58 13.422 -5.699 -6.411 1.00 0.77 O ATOM 861 CB SER A 58 15.442 -4.387 -4.182 1.00 0.78 C ATOM 862 OG SER A 58 16.398 -3.674 -4.948 1.00 1.44 O ATOM 0 H SER A 58 13.467 -5.620 -3.317 1.00 0.52 H new ATOM 0 HA SER A 58 13.805 -3.077 -4.646 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.512 -4.083 -3.137 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.666 -5.453 -4.220 1.00 0.78 H new ATOM 0 HG SER A 58 15.994 -2.849 -5.290 1.00 1.44 H new ATOM 868 N ASP A 59 14.310 -3.730 -7.055 1.00 0.97 N ATOM 869 CA ASP A 59 14.316 -4.028 -8.486 1.00 1.18 C ATOM 870 C ASP A 59 15.089 -5.315 -8.786 1.00 1.20 C ATOM 871 O ASP A 59 14.805 -6.009 -9.761 1.00 1.34 O ATOM 872 CB ASP A 59 14.934 -2.848 -9.245 1.00 1.57 C ATOM 873 CG ASP A 59 15.190 -3.142 -10.712 1.00 1.80 C ATOM 874 OD1 ASP A 59 14.226 -3.143 -11.507 1.00 2.17 O ATOM 875 OD2 ASP A 59 16.363 -3.353 -11.078 1.00 2.31 O ATOM 0 H ASP A 59 14.659 -2.799 -6.827 1.00 0.97 H new ATOM 0 HA ASP A 59 13.287 -4.179 -8.814 1.00 1.18 H new ATOM 0 HB2 ASP A 59 14.271 -1.987 -9.165 1.00 1.57 H new ATOM 0 HB3 ASP A 59 15.874 -2.571 -8.768 1.00 1.57 H new ATOM 880 N ASN A 60 16.056 -5.638 -7.933 1.00 1.26 N ATOM 881 CA ASN A 60 16.850 -6.849 -8.111 1.00 1.52 C ATOM 882 C ASN A 60 16.518 -7.889 -7.042 1.00 1.40 C ATOM 883 O ASN A 60 17.243 -8.867 -6.876 1.00 1.74 O ATOM 884 CB ASN A 60 18.349 -6.528 -8.087 1.00 1.82 C ATOM 885 CG ASN A 60 18.779 -5.670 -9.264 1.00 2.52 C ATOM 886 OD1 ASN A 60 19.072 -6.181 -10.344 1.00 3.09 O ATOM 887 ND2 ASN A 60 18.839 -4.363 -9.059 1.00 3.05 N ATOM 0 H ASN A 60 16.308 -5.082 -7.116 1.00 1.26 H new ATOM 0 HA ASN A 60 16.598 -7.267 -9.086 1.00 1.52 H new ATOM 0 HB2 ASN A 60 18.592 -6.013 -7.158 1.00 1.82 H new ATOM 0 HB3 ASN A 60 18.917 -7.458 -8.093 1.00 1.82 H new ATOM 0 HD21 ASN A 60 19.136 -3.742 -9.811 1.00 3.05 H new ATOM 0 HD22 ASN A 60 18.588 -3.977 -8.149 1.00 3.05 H new ATOM 894 N ASN A 61 15.411 -7.665 -6.326 1.00 1.11 N ATOM 895 CA ASN A 61 14.923 -8.589 -5.289 1.00 1.06 C ATOM 896 C ASN A 61 16.002 -8.946 -4.267 1.00 1.11 C ATOM 897 O ASN A 61 16.015 -10.053 -3.729 1.00 1.55 O ATOM 898 CB ASN A 61 14.368 -9.874 -5.922 1.00 1.29 C ATOM 899 CG ASN A 61 13.034 -9.665 -6.621 1.00 1.85 C ATOM 900 OD1 ASN A 61 12.759 -8.592 -7.158 1.00 2.62 O ATOM 901 ND2 ASN A 61 12.194 -10.688 -6.618 1.00 2.37 N ATOM 0 H ASN A 61 14.826 -6.838 -6.447 1.00 1.11 H new ATOM 0 HA ASN A 61 14.125 -8.067 -4.761 1.00 1.06 H new ATOM 0 HB2 ASN A 61 15.091 -10.260 -6.640 1.00 1.29 H new ATOM 0 HB3 ASN A 61 14.251 -10.632 -5.148 1.00 1.29 H new ATOM 0 HD21 ASN A 61 11.284 -10.602 -7.071 1.00 2.37 H new ATOM 0 HD22 ASN A 61 12.457 -11.562 -6.163 1.00 2.37 H new ATOM 908 N ARG A 62 16.890 -8.003 -3.974 1.00 0.98 N ATOM 909 CA ARG A 62 17.987 -8.261 -3.045 1.00 1.06 C ATOM 910 C ARG A 62 17.532 -8.185 -1.588 1.00 0.90 C ATOM 911 O ARG A 62 18.113 -8.830 -0.718 1.00 1.01 O ATOM 912 CB ARG A 62 19.140 -7.280 -3.272 1.00 1.27 C ATOM 913 CG ARG A 62 18.736 -5.816 -3.185 1.00 1.79 C ATOM 914 CD ARG A 62 19.903 -4.950 -2.745 1.00 2.44 C ATOM 915 NE ARG A 62 20.268 -5.207 -1.352 1.00 3.13 N ATOM 916 CZ ARG A 62 21.477 -5.604 -0.963 1.00 3.67 C ATOM 917 NH1 ARG A 62 22.428 -5.808 -1.861 1.00 3.55 N ATOM 918 NH2 ARG A 62 21.732 -5.812 0.322 1.00 4.66 N ATOM 0 H ARG A 62 16.874 -7.060 -4.362 1.00 0.98 H new ATOM 0 HA ARG A 62 18.333 -9.276 -3.243 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.919 -7.475 -2.535 1.00 1.27 H new ATOM 0 HB3 ARG A 62 19.575 -7.468 -4.254 1.00 1.27 H new ATOM 0 HG2 ARG A 62 18.374 -5.477 -4.156 1.00 1.79 H new ATOM 0 HG3 ARG A 62 17.911 -5.705 -2.481 1.00 1.79 H new ATOM 0 HD2 ARG A 62 20.762 -5.141 -3.388 1.00 2.44 H new ATOM 0 HD3 ARG A 62 19.643 -3.898 -2.866 1.00 2.44 H new ATOM 0 HE ARG A 62 19.553 -5.074 -0.636 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.234 -5.661 -2.852 1.00 3.55 H new ATOM 0 HH12 ARG A 62 23.355 -6.112 -1.562 1.00 3.55 H new ATOM 0 HH21 ARG A 62 21.000 -5.668 1.017 1.00 4.66 H new ATOM 0 HH22 ARG A 62 22.660 -6.116 0.615 1.00 4.66 H new ATOM 932 N ASP A 63 16.494 -7.402 -1.332 1.00 0.81 N ATOM 933 CA ASP A 63 16.033 -7.167 0.031 1.00 0.75 C ATOM 934 C ASP A 63 14.532 -6.917 0.026 1.00 0.61 C ATOM 935 O ASP A 63 14.013 -6.268 -0.887 1.00 0.69 O ATOM 936 CB ASP A 63 16.769 -5.956 0.630 1.00 0.92 C ATOM 937 CG ASP A 63 16.585 -5.815 2.135 1.00 1.70 C ATOM 938 OD1 ASP A 63 15.481 -5.440 2.579 1.00 2.51 O ATOM 939 OD2 ASP A 63 17.561 -6.064 2.880 1.00 2.02 O ATOM 0 H ASP A 63 15.954 -6.918 -2.049 1.00 0.81 H new ATOM 0 HA ASP A 63 16.246 -8.045 0.641 1.00 0.75 H new ATOM 0 HB2 ASP A 63 17.833 -6.042 0.409 1.00 0.92 H new ATOM 0 HB3 ASP A 63 16.414 -5.048 0.142 1.00 0.92 H new ATOM 944 N LYS A 64 13.836 -7.455 1.020 1.00 0.51 N ATOM 945 CA LYS A 64 12.404 -7.235 1.158 1.00 0.48 C ATOM 946 C LYS A 64 12.088 -6.768 2.576 1.00 0.52 C ATOM 947 O LYS A 64 12.568 -7.346 3.552 1.00 0.86 O ATOM 948 CB LYS A 64 11.609 -8.512 0.815 1.00 0.57 C ATOM 949 CG LYS A 64 11.680 -9.616 1.864 1.00 0.65 C ATOM 950 CD LYS A 64 10.415 -9.667 2.719 1.00 0.84 C ATOM 951 CE LYS A 64 9.244 -10.279 1.961 1.00 1.52 C ATOM 952 NZ LYS A 64 9.484 -11.699 1.591 1.00 2.07 N ATOM 0 H LYS A 64 14.242 -8.048 1.744 1.00 0.51 H new ATOM 0 HA LYS A 64 12.103 -6.460 0.453 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.564 -8.242 0.664 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.976 -8.907 -0.132 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.825 -10.577 1.371 1.00 0.65 H new ATOM 0 HG3 LYS A 64 12.546 -9.453 2.505 1.00 0.65 H new ATOM 0 HD2 LYS A 64 10.609 -10.249 3.620 1.00 0.84 H new ATOM 0 HD3 LYS A 64 10.153 -8.659 3.041 1.00 0.84 H new ATOM 0 HE2 LYS A 64 8.345 -10.214 2.574 1.00 1.52 H new ATOM 0 HE3 LYS A 64 9.057 -9.698 1.058 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 8.989 -11.914 0.702 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 10.504 -11.858 1.467 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 9.126 -12.319 2.345 1.00 2.07 H new ATOM 966 N LEU A 65 11.294 -5.719 2.690 1.00 0.34 N ATOM 967 CA LEU A 65 10.930 -5.191 3.996 1.00 0.34 C ATOM 968 C LEU A 65 9.469 -4.771 4.024 1.00 0.38 C ATOM 969 O LEU A 65 9.025 -3.979 3.196 1.00 0.72 O ATOM 970 CB LEU A 65 11.837 -4.021 4.387 1.00 0.52 C ATOM 971 CG LEU A 65 11.873 -2.827 3.431 1.00 1.18 C ATOM 972 CD1 LEU A 65 12.329 -1.587 4.174 1.00 1.98 C ATOM 973 CD2 LEU A 65 12.807 -3.097 2.263 1.00 1.96 C ATOM 0 H LEU A 65 10.890 -5.217 1.900 1.00 0.34 H new ATOM 0 HA LEU A 65 11.069 -5.986 4.728 1.00 0.34 H new ATOM 0 HB2 LEU A 65 11.525 -3.662 5.368 1.00 0.52 H new ATOM 0 HB3 LEU A 65 12.853 -4.400 4.495 1.00 0.52 H new ATOM 0 HG LEU A 65 10.868 -2.669 3.040 1.00 1.18 H new ATOM 0 HD11 LEU A 65 12.353 -0.740 3.488 1.00 1.98 H new ATOM 0 HD12 LEU A 65 11.636 -1.375 4.988 1.00 1.98 H new ATOM 0 HD13 LEU A 65 13.327 -1.753 4.581 1.00 1.98 H new ATOM 0 HD21 LEU A 65 12.816 -2.234 1.597 1.00 1.96 H new ATOM 0 HD22 LEU A 65 13.815 -3.277 2.637 1.00 1.96 H new ATOM 0 HD23 LEU A 65 12.461 -3.974 1.716 1.00 1.96 H new ATOM 985 N TYR A 66 8.729 -5.313 4.983 1.00 0.32 N ATOM 986 CA TYR A 66 7.287 -5.114 5.049 1.00 0.34 C ATOM 987 C TYR A 66 6.933 -3.679 5.422 1.00 0.36 C ATOM 988 O TYR A 66 7.613 -3.044 6.231 1.00 0.44 O ATOM 989 CB TYR A 66 6.658 -6.084 6.051 1.00 0.39 C ATOM 990 CG TYR A 66 6.881 -7.543 5.713 1.00 0.41 C ATOM 991 CD1 TYR A 66 8.015 -8.215 6.160 1.00 0.55 C ATOM 992 CD2 TYR A 66 5.961 -8.250 4.947 1.00 0.50 C ATOM 993 CE1 TYR A 66 8.220 -9.545 5.858 1.00 0.64 C ATOM 994 CE2 TYR A 66 6.162 -9.582 4.642 1.00 0.59 C ATOM 995 CZ TYR A 66 7.293 -10.222 5.098 1.00 0.62 C ATOM 996 OH TYR A 66 7.498 -11.547 4.797 1.00 0.75 O ATOM 0 H TYR A 66 9.106 -5.897 5.729 1.00 0.32 H new ATOM 0 HA TYR A 66 6.884 -5.313 4.056 1.00 0.34 H new ATOM 0 HB2 TYR A 66 7.067 -5.884 7.042 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.586 -5.893 6.104 1.00 0.39 H new ATOM 0 HD1 TYR A 66 8.746 -7.686 6.753 1.00 0.55 H new ATOM 0 HD2 TYR A 66 5.075 -7.750 4.585 1.00 0.50 H new ATOM 0 HE1 TYR A 66 9.103 -10.053 6.216 1.00 0.64 H new ATOM 0 HE2 TYR A 66 5.436 -10.119 4.049 1.00 0.59 H new ATOM 0 HH TYR A 66 6.752 -11.878 4.255 1.00 0.75 H new ATOM 1006 N VAL A 67 5.864 -3.182 4.819 1.00 0.35 N ATOM 1007 CA VAL A 67 5.375 -1.838 5.079 1.00 0.38 C ATOM 1008 C VAL A 67 3.876 -1.865 5.299 1.00 0.40 C ATOM 1009 O VAL A 67 3.234 -2.892 5.097 1.00 0.73 O ATOM 1010 CB VAL A 67 5.690 -0.871 3.922 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.177 -0.569 3.871 1.00 0.67 C ATOM 1012 CG2 VAL A 67 5.205 -1.435 2.593 1.00 0.60 C ATOM 0 H VAL A 67 5.311 -3.700 4.136 1.00 0.35 H new ATOM 0 HA VAL A 67 5.886 -1.480 5.973 1.00 0.38 H new ATOM 0 HB VAL A 67 5.157 0.062 4.103 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.381 0.116 3.048 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.488 -0.110 4.810 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.731 -1.495 3.719 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.439 -0.733 1.793 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.701 -2.386 2.399 1.00 0.60 H new ATOM 0 HG23 VAL A 67 4.127 -1.590 2.635 1.00 0.60 H new ATOM 1022 N ASN A 68 3.327 -0.742 5.717 1.00 0.42 N ATOM 1023 CA ASN A 68 1.892 -0.612 5.875 1.00 0.49 C ATOM 1024 C ASN A 68 1.407 0.656 5.197 1.00 0.43 C ATOM 1025 O ASN A 68 1.972 1.734 5.394 1.00 0.50 O ATOM 1026 CB ASN A 68 1.487 -0.626 7.361 1.00 0.74 C ATOM 1027 CG ASN A 68 2.251 0.379 8.212 1.00 0.99 C ATOM 1028 OD1 ASN A 68 1.854 1.539 8.344 1.00 1.81 O ATOM 1029 ND2 ASN A 68 3.340 -0.069 8.822 1.00 1.60 N ATOM 0 H ASN A 68 3.856 0.097 5.954 1.00 0.42 H new ATOM 0 HA ASN A 68 1.418 -1.470 5.399 1.00 0.49 H new ATOM 0 HB2 ASN A 68 0.420 -0.419 7.440 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.648 -1.626 7.763 1.00 0.74 H new ATOM 0 HD21 ASN A 68 3.880 0.553 9.424 1.00 1.60 H new ATOM 0 HD22 ASN A 68 3.638 -1.035 8.689 1.00 1.60 H new ATOM 1036 N ILE A 69 0.387 0.515 4.361 1.00 0.42 N ATOM 1037 CA ILE A 69 -0.199 1.660 3.685 1.00 0.41 C ATOM 1038 C ILE A 69 -1.256 2.272 4.586 1.00 0.41 C ATOM 1039 O ILE A 69 -2.440 1.959 4.486 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.844 1.272 2.339 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.091 0.101 1.701 1.00 0.48 C ATOM 1042 CG2 ILE A 69 -0.853 2.472 1.402 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.753 -0.444 0.453 1.00 0.74 C ATOM 0 H ILE A 69 -0.049 -0.379 4.136 1.00 0.42 H new ATOM 0 HA ILE A 69 0.598 2.373 3.476 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.872 0.959 2.520 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.920 0.423 1.453 1.00 0.48 H new ATOM 0 HG13 ILE A 69 0.000 -0.702 2.433 1.00 0.48 H new ATOM 0 HG21 ILE A 69 -1.310 2.190 0.454 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -1.425 3.282 1.854 1.00 0.81 H new ATOM 0 HG23 ILE A 69 0.170 2.805 1.227 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -0.162 -1.271 0.059 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.754 -0.798 0.697 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.820 0.344 -0.297 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.814 3.136 5.468 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.661 3.659 6.519 1.00 0.45 C ATOM 1057 C ARG A 70 -1.990 5.117 6.245 1.00 0.39 C ATOM 1058 O ARG A 70 -1.149 5.860 5.743 1.00 0.41 O ATOM 1059 CB ARG A 70 -0.946 3.460 7.865 1.00 0.55 C ATOM 1060 CG ARG A 70 -1.464 4.298 9.024 1.00 1.33 C ATOM 1061 CD ARG A 70 -0.833 3.856 10.342 1.00 1.39 C ATOM 1062 NE ARG A 70 0.557 3.416 10.170 1.00 2.23 N ATOM 1063 CZ ARG A 70 1.456 3.346 11.156 1.00 2.69 C ATOM 1064 NH1 ARG A 70 1.143 3.737 12.384 1.00 2.42 N ATOM 1065 NH2 ARG A 70 2.672 2.880 10.906 1.00 3.79 N ATOM 0 H ARG A 70 0.140 3.497 5.480 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.611 3.125 6.554 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -1.020 2.408 8.141 1.00 0.55 H new ATOM 0 HB3 ARG A 70 0.113 3.680 7.728 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -1.242 5.350 8.845 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -2.548 4.207 9.087 1.00 1.33 H new ATOM 0 HD2 ARG A 70 -0.866 4.681 11.054 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -1.420 3.043 10.769 1.00 1.39 H new ATOM 0 HE ARG A 70 0.857 3.145 9.234 1.00 2.23 H new ATOM 0 HH11 ARG A 70 0.209 4.095 12.583 1.00 2.42 H new ATOM 0 HH12 ARG A 70 1.836 3.680 13.130 1.00 2.42 H new ATOM 0 HH21 ARG A 70 2.918 2.577 9.964 1.00 3.79 H new ATOM 0 HH22 ARG A 70 3.361 2.825 11.656 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.240 5.529 6.504 1.00 0.40 N ATOM 1080 CA PRO A 71 -3.661 6.915 6.316 1.00 0.44 C ATOM 1081 C PRO A 71 -2.744 7.894 7.029 1.00 0.47 C ATOM 1082 O PRO A 71 -2.342 7.662 8.171 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.063 6.953 6.917 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.554 5.550 6.840 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.343 4.671 6.975 1.00 0.50 C ATOM 0 HA PRO A 71 -3.632 7.211 5.267 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.041 7.307 7.948 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -5.712 7.629 6.361 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -6.273 5.346 7.633 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.063 5.368 5.894 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.191 4.352 8.006 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.434 3.767 6.372 1.00 0.50 H new ATOM 1093 N MET A 72 -2.395 8.971 6.337 1.00 0.52 N ATOM 1094 CA MET A 72 -1.514 9.986 6.896 1.00 0.65 C ATOM 1095 C MET A 72 -2.133 10.564 8.166 1.00 0.81 C ATOM 1096 O MET A 72 -1.552 10.484 9.247 1.00 1.66 O ATOM 1097 CB MET A 72 -1.248 11.090 5.859 1.00 0.75 C ATOM 1098 CG MET A 72 -0.167 12.088 6.260 1.00 0.89 C ATOM 1099 SD MET A 72 -0.720 13.307 7.476 1.00 1.54 S ATOM 1100 CE MET A 72 -1.991 14.169 6.550 1.00 1.71 C ATOM 0 H MET A 72 -2.710 9.164 5.386 1.00 0.52 H new ATOM 0 HA MET A 72 -0.558 9.530 7.154 1.00 0.65 H new ATOM 0 HB2 MET A 72 -0.962 10.624 4.916 1.00 0.75 H new ATOM 0 HB3 MET A 72 -2.176 11.632 5.678 1.00 0.75 H new ATOM 0 HG2 MET A 72 0.686 11.543 6.666 1.00 0.89 H new ATOM 0 HG3 MET A 72 0.183 12.609 5.369 1.00 0.89 H new ATOM 0 HE1 MET A 72 -2.137 15.164 6.971 1.00 1.71 H new ATOM 0 HE2 MET A 72 -1.685 14.258 5.508 1.00 1.71 H new ATOM 0 HE3 MET A 72 -2.925 13.610 6.607 1.00 1.71 H new ATOM 1110 N ASP A 73 -3.325 11.124 8.017 1.00 0.85 N ATOM 1111 CA ASP A 73 -4.095 11.651 9.140 1.00 0.91 C ATOM 1112 C ASP A 73 -5.474 12.061 8.659 1.00 0.97 C ATOM 1113 O ASP A 73 -5.627 13.095 8.006 1.00 1.54 O ATOM 1114 CB ASP A 73 -3.397 12.847 9.791 1.00 1.06 C ATOM 1115 CG ASP A 73 -4.207 13.423 10.933 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -4.380 12.723 11.953 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -4.691 14.569 10.810 1.00 1.92 O ATOM 0 H ASP A 73 -3.788 11.227 7.114 1.00 0.85 H new ATOM 0 HA ASP A 73 -4.180 10.866 9.891 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -2.418 12.539 10.160 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -3.227 13.620 9.041 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.469 11.233 8.959 1.00 0.80 N ATOM 1123 CA ASN A 74 -7.831 11.464 8.477 1.00 0.90 C ATOM 1124 C ASN A 74 -8.805 10.410 9.001 1.00 1.03 C ATOM 1125 O ASN A 74 -9.981 10.705 9.222 1.00 1.89 O ATOM 1126 CB ASN A 74 -7.867 11.513 6.938 1.00 0.90 C ATOM 1127 CG ASN A 74 -7.151 10.345 6.278 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -7.179 9.217 6.767 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -6.475 10.615 5.171 1.00 1.21 N ATOM 0 H ASN A 74 -6.361 10.396 9.533 1.00 0.80 H new ATOM 0 HA ASN A 74 -8.151 12.431 8.864 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -8.905 11.527 6.607 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -7.413 12.445 6.601 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -5.956 9.876 4.697 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -6.473 11.562 4.793 1.00 1.21 H new ATOM 1136 N SER A 75 -8.326 9.187 9.201 1.00 0.90 N ATOM 1137 CA SER A 75 -9.183 8.103 9.658 1.00 0.90 C ATOM 1138 C SER A 75 -8.357 6.929 10.173 1.00 0.84 C ATOM 1139 O SER A 75 -7.122 6.969 10.157 1.00 0.93 O ATOM 1140 CB SER A 75 -10.083 7.647 8.508 1.00 0.93 C ATOM 1141 OG SER A 75 -9.311 7.384 7.349 1.00 1.70 O ATOM 0 H SER A 75 -7.352 8.924 9.054 1.00 0.90 H new ATOM 0 HA SER A 75 -9.796 8.469 10.482 1.00 0.90 H new ATOM 0 HB2 SER A 75 -10.630 6.750 8.800 1.00 0.93 H new ATOM 0 HB3 SER A 75 -10.825 8.416 8.292 1.00 0.93 H new ATOM 0 HG SER A 75 -8.651 8.098 7.227 1.00 1.70 H new ATOM 1147 N ALA A 76 -9.048 5.894 10.633 1.00 0.82 N ATOM 1148 CA ALA A 76 -8.404 4.668 11.072 1.00 0.78 C ATOM 1149 C ALA A 76 -8.803 3.510 10.166 1.00 0.63 C ATOM 1150 O ALA A 76 -9.985 3.309 9.881 1.00 0.77 O ATOM 1151 CB ALA A 76 -8.764 4.366 12.519 1.00 0.94 C ATOM 0 H ALA A 76 -10.065 5.883 10.711 1.00 0.82 H new ATOM 0 HA ALA A 76 -7.324 4.800 11.010 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -8.273 3.444 12.831 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -8.433 5.187 13.155 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -9.844 4.250 12.609 1.00 0.94 H new ATOM 1157 N TRP A 77 -7.813 2.767 9.701 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.043 1.639 8.808 1.00 0.38 C ATOM 1159 C TRP A 77 -7.563 0.346 9.458 1.00 0.40 C ATOM 1160 O TRP A 77 -6.632 0.360 10.264 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.308 1.847 7.476 1.00 0.35 C ATOM 1162 CG TRP A 77 -7.966 2.807 6.524 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -8.663 3.946 6.829 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -7.966 2.712 5.093 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.110 4.546 5.673 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.688 3.809 4.598 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.425 1.802 4.183 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -8.887 4.018 3.236 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.622 2.013 2.831 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.347 3.112 2.371 1.00 0.42 C ATOM 0 H TRP A 77 -6.832 2.926 9.929 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.113 1.570 8.615 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.300 2.204 7.688 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -7.207 0.881 6.981 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -8.836 4.318 7.828 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.665 5.400 5.625 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -6.862 0.948 4.529 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.449 4.867 2.877 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.207 1.315 2.119 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.484 3.248 1.308 1.00 0.42 H new ATOM 1181 N THR A 78 -8.194 -0.762 9.104 1.00 0.38 N ATOM 1182 CA THR A 78 -7.791 -2.068 9.602 1.00 0.40 C ATOM 1183 C THR A 78 -6.584 -2.573 8.819 1.00 0.36 C ATOM 1184 O THR A 78 -6.673 -2.831 7.615 1.00 0.37 O ATOM 1185 CB THR A 78 -8.945 -3.086 9.494 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.069 -2.632 10.261 1.00 0.51 O ATOM 1187 CG2 THR A 78 -8.517 -4.462 9.986 1.00 0.49 C ATOM 0 H THR A 78 -8.992 -0.783 8.470 1.00 0.38 H new ATOM 0 HA THR A 78 -7.526 -1.962 10.654 1.00 0.40 H new ATOM 0 HB THR A 78 -9.223 -3.168 8.443 1.00 0.45 H new ATOM 0 HG1 THR A 78 -10.799 -3.281 10.187 1.00 0.51 H new ATOM 0 HG21 THR A 78 -9.352 -5.156 9.897 1.00 0.49 H new ATOM 0 HG22 THR A 78 -7.682 -4.820 9.384 1.00 0.49 H new ATOM 0 HG23 THR A 78 -8.210 -4.396 11.030 1.00 0.49 H new ATOM 1195 N THR A 79 -5.455 -2.695 9.498 1.00 0.41 N ATOM 1196 CA THR A 79 -4.224 -3.092 8.845 1.00 0.40 C ATOM 1197 C THR A 79 -4.060 -4.608 8.785 1.00 0.38 C ATOM 1198 O THR A 79 -3.953 -5.296 9.806 1.00 0.50 O ATOM 1199 CB THR A 79 -2.982 -2.445 9.509 1.00 0.51 C ATOM 1200 OG1 THR A 79 -1.778 -2.917 8.885 1.00 0.53 O ATOM 1201 CG2 THR A 79 -2.928 -2.728 11.006 1.00 0.59 C ATOM 0 H THR A 79 -5.368 -2.524 10.500 1.00 0.41 H new ATOM 0 HA THR A 79 -4.296 -2.724 7.822 1.00 0.40 H new ATOM 0 HB THR A 79 -3.066 -1.367 9.371 1.00 0.51 H new ATOM 0 HG1 THR A 79 -1.591 -2.380 8.087 1.00 0.53 H new ATOM 0 HG21 THR A 79 -2.043 -2.257 11.434 1.00 0.59 H new ATOM 0 HG22 THR A 79 -3.820 -2.325 11.485 1.00 0.59 H new ATOM 0 HG23 THR A 79 -2.882 -3.804 11.171 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.083 -5.116 7.568 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.677 -6.477 7.284 1.00 0.32 C ATOM 1211 C ASP A 80 -2.433 -6.396 6.415 1.00 0.36 C ATOM 1212 O ASP A 80 -2.148 -5.335 5.857 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.792 -7.242 6.566 1.00 0.34 C ATOM 1214 CG ASP A 80 -4.509 -8.724 6.453 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -4.897 -9.476 7.374 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -3.918 -9.148 5.442 1.00 1.70 O ATOM 0 H ASP A 80 -4.385 -4.593 6.746 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.469 -7.017 8.208 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.730 -7.096 7.102 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.927 -6.826 5.568 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.673 -7.469 6.310 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.442 -7.408 5.538 1.00 0.57 C ATOM 1223 C ASN A 81 -0.739 -7.593 4.055 1.00 0.59 C ATOM 1224 O ASN A 81 0.098 -7.290 3.213 1.00 0.72 O ATOM 1225 CB ASN A 81 0.571 -8.457 5.999 1.00 0.68 C ATOM 1226 CG ASN A 81 2.011 -7.973 5.876 1.00 0.81 C ATOM 1227 OD1 ASN A 81 2.884 -8.399 6.633 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.270 -7.072 4.944 1.00 0.80 N ATOM 0 H ASN A 81 -1.876 -8.373 6.737 1.00 0.44 H new ATOM 0 HA ASN A 81 -0.003 -6.424 5.701 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.368 -8.722 7.037 1.00 0.68 H new ATOM 0 HB3 ASN A 81 0.444 -9.364 5.408 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.217 -6.708 4.835 1.00 0.80 H new ATOM 0 HD22 ASN A 81 1.523 -6.741 4.333 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.921 -8.098 3.739 1.00 0.55 N ATOM 1236 CA GLY A 82 -2.299 -8.277 2.354 1.00 0.65 C ATOM 1237 C GLY A 82 -3.212 -7.178 1.861 1.00 0.48 C ATOM 1238 O GLY A 82 -3.105 -6.734 0.717 1.00 0.57 O ATOM 0 H GLY A 82 -2.626 -8.387 4.417 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -1.402 -8.305 1.736 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -2.797 -9.240 2.237 1.00 0.65 H new ATOM 1242 N VAL A 83 -4.108 -6.730 2.723 1.00 0.40 N ATOM 1243 CA VAL A 83 -5.065 -5.703 2.358 1.00 0.44 C ATOM 1244 C VAL A 83 -5.114 -4.621 3.419 1.00 0.36 C ATOM 1245 O VAL A 83 -4.768 -4.855 4.574 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.486 -6.271 2.161 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -6.529 -7.237 0.985 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.977 -6.952 3.433 1.00 0.67 C ATOM 0 H VAL A 83 -4.192 -7.063 3.683 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.727 -5.286 1.410 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.153 -5.438 1.939 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -7.542 -7.623 0.868 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -6.232 -6.716 0.075 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -5.844 -8.065 1.169 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -7.981 -7.345 3.271 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -6.304 -7.770 3.691 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -6.998 -6.229 4.248 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.551 -3.439 3.032 1.00 0.32 N ATOM 1259 CA PHE A 84 -5.646 -2.338 3.965 1.00 0.29 C ATOM 1260 C PHE A 84 -6.973 -1.643 3.743 1.00 0.29 C ATOM 1261 O PHE A 84 -7.146 -0.963 2.736 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.480 -1.367 3.759 1.00 0.33 C ATOM 1263 CG PHE A 84 -3.908 -0.822 5.034 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -4.650 0.019 5.848 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -2.620 -1.149 5.413 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.110 0.520 7.019 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.077 -0.652 6.579 1.00 0.35 C ATOM 1268 CZ PHE A 84 -2.823 0.183 7.383 1.00 0.36 C ATOM 0 H PHE A 84 -5.845 -3.218 2.080 1.00 0.32 H new ATOM 0 HA PHE A 84 -5.592 -2.705 4.990 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -3.690 -1.876 3.207 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -4.818 -0.536 3.140 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -5.658 0.285 5.566 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.031 -1.803 4.787 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.696 1.174 7.648 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.069 -0.917 6.862 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.400 0.573 8.297 1.00 0.36 H new ATOM 1278 N TYR A 85 -7.920 -1.853 4.644 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.260 -1.312 4.458 1.00 0.34 C ATOM 1280 C TYR A 85 -9.782 -0.678 5.727 1.00 0.34 C ATOM 1281 O TYR A 85 -9.513 -1.146 6.828 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.248 -2.385 3.977 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.481 -3.531 4.938 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.460 -4.410 5.271 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -11.737 -3.744 5.489 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -9.684 -5.469 6.132 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -11.971 -4.803 6.344 1.00 0.51 C ATOM 1288 CZ TYR A 85 -10.943 -5.664 6.661 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.178 -6.727 7.502 1.00 0.59 O ATOM 0 H TYR A 85 -7.790 -2.388 5.503 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.179 -0.545 3.687 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.205 -1.907 3.770 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -9.885 -2.792 3.034 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.475 -4.265 4.851 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -12.545 -3.070 5.245 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -8.877 -6.140 6.389 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -12.955 -4.956 6.762 1.00 0.51 H new ATOM 0 HH TYR A 85 -12.116 -6.718 7.786 1.00 0.59 H new ATOM 1299 N LYS A 86 -10.527 0.396 5.559 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.151 1.062 6.680 1.00 0.37 C ATOM 1301 C LYS A 86 -12.347 0.264 7.171 1.00 0.39 C ATOM 1302 O LYS A 86 -12.994 -0.438 6.395 1.00 0.42 O ATOM 1303 CB LYS A 86 -11.592 2.475 6.291 1.00 0.42 C ATOM 1304 CG LYS A 86 -12.482 2.542 5.056 1.00 0.57 C ATOM 1305 CD LYS A 86 -13.181 3.888 4.971 1.00 0.87 C ATOM 1306 CE LYS A 86 -14.164 3.967 3.811 1.00 0.61 C ATOM 1307 NZ LYS A 86 -13.500 4.330 2.540 1.00 1.39 N ATOM 0 H LYS A 86 -10.714 0.826 4.653 1.00 0.36 H new ATOM 0 HA LYS A 86 -10.418 1.133 7.484 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.125 2.920 7.132 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -10.705 3.084 6.117 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -11.882 2.381 4.160 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.223 1.743 5.092 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -13.711 4.077 5.905 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.434 4.675 4.863 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -14.665 3.006 3.696 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -14.935 4.703 4.040 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -14.220 4.538 1.819 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -12.905 5.170 2.687 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -12.907 3.538 2.219 1.00 1.39 H new ATOM 1321 N ASN A 87 -12.627 0.365 8.463 1.00 0.45 N ATOM 1322 CA ASN A 87 -13.821 -0.244 9.037 1.00 0.51 C ATOM 1323 C ASN A 87 -15.033 0.606 8.671 1.00 0.55 C ATOM 1324 O ASN A 87 -16.180 0.177 8.776 1.00 0.83 O ATOM 1325 CB ASN A 87 -13.673 -0.355 10.561 1.00 0.61 C ATOM 1326 CG ASN A 87 -14.801 -1.131 11.218 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -15.825 -0.560 11.595 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -14.616 -2.435 11.374 1.00 2.12 N ATOM 0 H ASN A 87 -12.043 0.863 9.135 1.00 0.45 H new ATOM 0 HA ASN A 87 -13.955 -1.249 8.637 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -12.725 -0.840 10.793 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -13.632 0.647 10.989 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -15.337 -3.003 11.820 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -13.753 -2.870 11.048 1.00 2.12 H new ATOM 1335 N ASP A 88 -14.743 1.823 8.229 1.00 0.51 N ATOM 1336 CA ASP A 88 -15.758 2.759 7.770 1.00 0.54 C ATOM 1337 C ASP A 88 -16.200 2.412 6.353 1.00 0.46 C ATOM 1338 O ASP A 88 -15.460 1.779 5.601 1.00 0.53 O ATOM 1339 CB ASP A 88 -15.193 4.185 7.809 1.00 0.62 C ATOM 1340 CG ASP A 88 -16.148 5.232 7.267 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -17.129 5.564 7.967 1.00 1.62 O ATOM 1342 OD2 ASP A 88 -15.911 5.741 6.147 1.00 2.10 O ATOM 0 H ASP A 88 -13.792 2.189 8.179 1.00 0.51 H new ATOM 0 HA ASP A 88 -16.625 2.694 8.428 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -14.937 4.437 8.838 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -14.268 4.216 7.233 1.00 0.62 H new ATOM 1347 N VAL A 89 -17.402 2.818 5.996 1.00 0.54 N ATOM 1348 CA VAL A 89 -17.891 2.634 4.641 1.00 0.51 C ATOM 1349 C VAL A 89 -18.260 3.987 4.034 1.00 0.51 C ATOM 1350 O VAL A 89 -18.947 4.797 4.659 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.096 1.661 4.576 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -18.687 0.271 5.036 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -20.266 2.166 5.409 1.00 0.93 C ATOM 0 H VAL A 89 -18.060 3.278 6.625 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.088 2.181 4.059 1.00 0.51 H new ATOM 0 HB VAL A 89 -19.420 1.609 3.537 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -19.546 -0.397 4.983 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -17.893 -0.107 4.391 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -18.327 0.319 6.064 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.093 1.459 5.340 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -19.957 2.263 6.450 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -20.587 3.138 5.034 1.00 0.93 H new ATOM 1363 N GLY A 90 -17.778 4.237 2.829 1.00 0.46 N ATOM 1364 CA GLY A 90 -17.999 5.519 2.192 1.00 0.46 C ATOM 1365 C GLY A 90 -16.818 5.932 1.340 1.00 0.39 C ATOM 1366 O GLY A 90 -15.779 5.256 1.341 1.00 0.43 O ATOM 0 H GLY A 90 -17.235 3.573 2.277 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -18.894 5.468 1.573 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -18.181 6.277 2.954 1.00 0.46 H new ATOM 1370 N SER A 91 -16.973 7.018 0.596 1.00 0.44 N ATOM 1371 CA SER A 91 -15.881 7.569 -0.184 1.00 0.50 C ATOM 1372 C SER A 91 -14.790 8.078 0.752 1.00 0.48 C ATOM 1373 O SER A 91 -15.048 8.880 1.647 1.00 0.77 O ATOM 1374 CB SER A 91 -16.391 8.690 -1.099 1.00 0.69 C ATOM 1375 OG SER A 91 -17.172 9.632 -0.377 1.00 1.17 O ATOM 0 H SER A 91 -17.849 7.535 0.518 1.00 0.44 H new ATOM 0 HA SER A 91 -15.459 6.788 -0.817 1.00 0.50 H new ATOM 0 HB2 SER A 91 -15.545 9.196 -1.563 1.00 0.69 H new ATOM 0 HB3 SER A 91 -16.987 8.262 -1.905 1.00 0.69 H new ATOM 0 HG SER A 91 -16.738 9.829 0.479 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.582 7.584 0.561 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.486 7.924 1.442 1.00 0.45 C ATOM 1383 C TRP A 92 -11.742 9.140 0.918 1.00 0.44 C ATOM 1384 O TRP A 92 -11.550 10.109 1.651 1.00 0.49 O ATOM 1385 CB TRP A 92 -11.559 6.736 1.596 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.601 6.959 2.695 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -10.847 6.901 4.034 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.245 7.317 2.545 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.707 7.204 4.727 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.703 7.460 3.828 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.442 7.524 1.438 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.375 7.808 4.031 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.137 7.868 1.632 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.606 8.010 2.920 1.00 0.51 C ATOM 0 H TRP A 92 -13.337 6.946 -0.196 1.00 0.50 H new ATOM 0 HA TRP A 92 -12.883 8.176 2.425 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.143 5.837 1.793 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.018 6.568 0.665 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -11.798 6.653 4.481 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.618 7.234 5.743 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -8.841 7.415 0.440 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -6.967 7.915 5.025 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.500 8.034 0.776 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.568 8.285 3.037 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.369 9.068 -0.358 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.653 10.148 -1.048 1.00 0.49 C ATOM 1407 C GLY A 93 -9.743 10.994 -0.164 1.00 0.57 C ATOM 1408 O GLY A 93 -10.125 12.084 0.263 1.00 1.25 O ATOM 0 H GLY A 93 -11.554 8.257 -0.948 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -10.053 9.712 -1.847 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -11.385 10.803 -1.520 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.537 10.510 0.082 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.600 11.237 0.914 1.00 0.50 C ATOM 1414 C GLY A 94 -6.169 10.800 0.673 1.00 0.50 C ATOM 1415 O GLY A 94 -5.827 10.367 -0.426 1.00 0.72 O ATOM 0 H GLY A 94 -8.188 9.623 -0.281 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.691 12.305 0.715 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.854 11.085 1.963 1.00 0.50 H new ATOM 1419 N THR A 95 -5.333 10.893 1.697 1.00 0.46 N ATOM 1420 CA THR A 95 -3.936 10.518 1.558 1.00 0.45 C ATOM 1421 C THR A 95 -3.518 9.442 2.560 1.00 0.40 C ATOM 1422 O THR A 95 -3.697 9.588 3.775 1.00 0.45 O ATOM 1423 CB THR A 95 -3.015 11.747 1.711 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.398 12.516 2.863 1.00 0.60 O ATOM 1425 CG2 THR A 95 -3.066 12.628 0.473 1.00 0.60 C ATOM 0 H THR A 95 -5.596 11.222 2.626 1.00 0.46 H new ATOM 0 HA THR A 95 -3.828 10.105 0.555 1.00 0.45 H new ATOM 0 HB THR A 95 -1.995 11.385 1.838 1.00 0.53 H new ATOM 0 HG1 THR A 95 -3.549 11.915 3.622 1.00 0.60 H new ATOM 0 HG21 THR A 95 -2.408 13.486 0.610 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.740 12.055 -0.395 1.00 0.60 H new ATOM 0 HG23 THR A 95 -4.087 12.976 0.316 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.983 8.349 2.032 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.326 7.338 2.846 1.00 0.39 C ATOM 1435 C ILE A 96 -0.839 7.379 2.543 1.00 0.40 C ATOM 1436 O ILE A 96 -0.430 8.028 1.584 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.849 5.897 2.606 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -2.903 5.574 1.113 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -4.211 5.691 3.251 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -4.224 5.907 0.456 1.00 1.63 C ATOM 0 H ILE A 96 -2.992 8.140 1.034 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.544 7.574 3.888 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.147 5.209 3.077 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -2.109 6.121 0.605 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -2.698 4.512 0.974 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.551 4.672 3.066 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -4.134 5.858 4.325 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.926 6.395 2.825 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -4.180 5.648 -0.602 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -5.022 5.340 0.935 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -4.424 6.973 0.560 1.00 1.63 H new ATOM 1452 N GLY A 97 -0.033 6.703 3.334 1.00 0.39 N ATOM 1453 CA GLY A 97 1.391 6.737 3.115 1.00 0.45 C ATOM 1454 C GLY A 97 2.042 5.404 3.385 1.00 0.39 C ATOM 1455 O GLY A 97 1.457 4.545 4.047 1.00 0.37 O ATOM 0 H GLY A 97 -0.337 6.132 4.123 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.591 7.035 2.086 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.838 7.494 3.759 1.00 0.45 H new ATOM 1459 N ILE A 98 3.238 5.221 2.855 1.00 0.38 N ATOM 1460 CA ILE A 98 4.017 4.032 3.131 1.00 0.36 C ATOM 1461 C ILE A 98 4.849 4.231 4.391 1.00 0.38 C ATOM 1462 O ILE A 98 5.739 5.084 4.439 1.00 0.42 O ATOM 1463 CB ILE A 98 4.938 3.653 1.937 1.00 0.41 C ATOM 1464 CG1 ILE A 98 4.132 2.971 0.829 1.00 0.50 C ATOM 1465 CG2 ILE A 98 6.076 2.742 2.385 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.185 3.891 0.086 1.00 0.83 C ATOM 0 H ILE A 98 3.691 5.886 2.228 1.00 0.38 H new ATOM 0 HA ILE A 98 3.319 3.209 3.284 1.00 0.36 H new ATOM 0 HB ILE A 98 5.368 4.576 1.547 1.00 0.41 H new ATOM 0 HG12 ILE A 98 4.824 2.528 0.113 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.558 2.154 1.265 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.703 2.494 1.528 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.676 3.253 3.138 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.664 1.827 2.810 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.655 3.326 -0.681 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.466 4.315 0.786 1.00 0.83 H new ATOM 0 HD13 ILE A 98 3.752 4.695 -0.383 1.00 0.83 H new ATOM 1478 N TYR A 99 4.512 3.468 5.416 1.00 0.42 N ATOM 1479 CA TYR A 99 5.285 3.420 6.640 1.00 0.53 C ATOM 1480 C TYR A 99 5.952 2.056 6.719 1.00 0.44 C ATOM 1481 O TYR A 99 5.273 1.036 6.590 1.00 0.50 O ATOM 1482 CB TYR A 99 4.390 3.606 7.879 1.00 0.73 C ATOM 1483 CG TYR A 99 3.425 4.774 7.841 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.314 4.762 7.014 1.00 0.74 C ATOM 1485 CD2 TYR A 99 3.610 5.874 8.663 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.425 5.815 7.001 1.00 0.82 C ATOM 1487 CE2 TYR A 99 2.719 6.926 8.662 1.00 1.11 C ATOM 1488 CZ TYR A 99 1.630 6.893 7.826 1.00 0.92 C ATOM 1489 OH TYR A 99 0.737 7.939 7.821 1.00 1.28 O ATOM 0 H TYR A 99 3.691 2.863 5.421 1.00 0.42 H new ATOM 0 HA TYR A 99 6.019 4.226 6.627 1.00 0.53 H new ATOM 0 HB2 TYR A 99 3.815 2.692 8.026 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.033 3.722 8.751 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.142 3.913 6.369 1.00 0.74 H new ATOM 0 HD2 TYR A 99 4.469 5.908 9.317 1.00 0.88 H new ATOM 0 HE1 TYR A 99 0.569 5.792 6.343 1.00 0.82 H new ATOM 0 HE2 TYR A 99 2.877 7.772 9.315 1.00 1.11 H new ATOM 0 HH TYR A 99 -0.171 7.594 7.948 1.00 1.28 H new ATOM 1499 N VAL A 100 7.263 2.019 6.902 1.00 0.44 N ATOM 1500 CA VAL A 100 7.942 0.741 7.040 1.00 0.40 C ATOM 1501 C VAL A 100 7.587 0.132 8.392 1.00 0.42 C ATOM 1502 O VAL A 100 7.540 0.832 9.401 1.00 0.56 O ATOM 1503 CB VAL A 100 9.476 0.860 6.896 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.086 1.557 8.096 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.101 -0.509 6.702 1.00 0.78 C ATOM 0 H VAL A 100 7.866 2.840 6.957 1.00 0.44 H new ATOM 0 HA VAL A 100 7.603 0.095 6.230 1.00 0.40 H new ATOM 0 HB VAL A 100 9.684 1.465 6.014 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.166 1.626 7.966 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.667 2.559 8.187 1.00 1.14 H new ATOM 0 HG13 VAL A 100 9.865 0.988 8.999 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.181 -0.405 6.602 1.00 0.78 H new ATOM 0 HG22 VAL A 100 9.875 -1.138 7.563 1.00 0.78 H new ATOM 0 HG23 VAL A 100 9.696 -0.969 5.801 1.00 0.78 H new ATOM 1515 N ASP A 101 7.313 -1.156 8.410 1.00 0.40 N ATOM 1516 CA ASP A 101 6.870 -1.811 9.633 1.00 0.50 C ATOM 1517 C ASP A 101 8.000 -1.884 10.660 1.00 0.59 C ATOM 1518 O ASP A 101 8.887 -2.735 10.565 1.00 0.77 O ATOM 1519 CB ASP A 101 6.337 -3.210 9.321 1.00 0.67 C ATOM 1520 CG ASP A 101 5.608 -3.833 10.495 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.417 -3.511 10.700 1.00 0.93 O ATOM 1522 OD2 ASP A 101 6.212 -4.659 11.208 1.00 1.02 O ATOM 0 H ASP A 101 7.387 -1.771 7.599 1.00 0.40 H new ATOM 0 HA ASP A 101 6.065 -1.217 10.064 1.00 0.50 H new ATOM 0 HB2 ASP A 101 5.662 -3.155 8.467 1.00 0.67 H new ATOM 0 HB3 ASP A 101 7.167 -3.854 9.030 1.00 0.67 H new ATOM 1527 N GLY A 102 7.982 -0.950 11.609 1.00 0.61 N ATOM 1528 CA GLY A 102 8.906 -0.984 12.730 1.00 0.81 C ATOM 1529 C GLY A 102 10.333 -0.596 12.374 1.00 0.85 C ATOM 1530 O GLY A 102 11.246 -0.912 13.132 1.00 1.53 O ATOM 0 H GLY A 102 7.335 -0.161 11.620 1.00 0.61 H new ATOM 0 HA2 GLY A 102 8.542 -0.312 13.507 1.00 0.81 H new ATOM 0 HA3 GLY A 102 8.909 -1.988 13.153 1.00 0.81 H new ATOM 1534 N GLN A 103 10.519 0.121 11.256 1.00 0.64 N ATOM 1535 CA GLN A 103 11.859 0.463 10.748 1.00 0.60 C ATOM 1536 C GLN A 103 12.728 -0.786 10.632 1.00 0.61 C ATOM 1537 O GLN A 103 13.310 -1.251 11.611 1.00 0.65 O ATOM 1538 CB GLN A 103 12.556 1.485 11.642 1.00 0.71 C ATOM 1539 CG GLN A 103 13.800 2.098 11.019 1.00 1.01 C ATOM 1540 CD GLN A 103 14.556 2.987 11.986 1.00 1.35 C ATOM 1541 OE1 GLN A 103 14.321 4.193 12.062 1.00 1.78 O ATOM 1542 NE2 GLN A 103 15.464 2.392 12.742 1.00 2.11 N ATOM 0 H GLN A 103 9.755 0.478 10.682 1.00 0.64 H new ATOM 0 HA GLN A 103 11.724 0.903 9.760 1.00 0.60 H new ATOM 0 HB2 GLN A 103 11.852 2.281 11.885 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.830 1.005 12.581 1.00 0.71 H new ATOM 0 HG2 GLN A 103 14.459 1.302 10.672 1.00 1.01 H new ATOM 0 HG3 GLN A 103 13.514 2.680 10.143 1.00 1.01 H new ATOM 0 HE21 GLN A 103 15.629 1.390 12.648 1.00 2.11 H new ATOM 0 HE22 GLN A 103 16.000 2.935 13.419 1.00 2.11 H new ATOM 1551 N GLN A 104 12.833 -1.311 9.429 1.00 0.73 N ATOM 1552 CA GLN A 104 13.491 -2.584 9.218 1.00 0.94 C ATOM 1553 C GLN A 104 14.986 -2.476 9.450 1.00 1.02 C ATOM 1554 O GLN A 104 15.512 -3.049 10.400 1.00 1.28 O ATOM 1555 CB GLN A 104 13.203 -3.086 7.806 1.00 1.12 C ATOM 1556 CG GLN A 104 11.778 -3.576 7.633 1.00 1.96 C ATOM 1557 CD GLN A 104 11.496 -4.843 8.411 1.00 1.98 C ATOM 1558 OE1 GLN A 104 12.379 -5.677 8.606 1.00 2.02 O ATOM 1559 NE2 GLN A 104 10.264 -4.990 8.871 1.00 2.62 N ATOM 0 H GLN A 104 12.471 -0.875 8.581 1.00 0.73 H new ATOM 0 HA GLN A 104 13.096 -3.299 9.940 1.00 0.94 H new ATOM 0 HB2 GLN A 104 13.395 -2.283 7.094 1.00 1.12 H new ATOM 0 HB3 GLN A 104 13.892 -3.896 7.566 1.00 1.12 H new ATOM 0 HG2 GLN A 104 11.089 -2.796 7.955 1.00 1.96 H new ATOM 0 HG3 GLN A 104 11.586 -3.754 6.575 1.00 1.96 H new ATOM 0 HE21 GLN A 104 9.562 -4.274 8.686 1.00 2.62 H new ATOM 0 HE22 GLN A 104 10.017 -5.820 9.410 1.00 2.62 H new ATOM 1568 N THR A 105 15.645 -1.682 8.618 1.00 1.14 N ATOM 1569 CA THR A 105 17.106 -1.655 8.553 1.00 1.42 C ATOM 1570 C THR A 105 17.586 -0.629 7.528 1.00 1.11 C ATOM 1571 O THR A 105 18.349 0.279 7.854 1.00 1.04 O ATOM 1572 CB THR A 105 17.701 -3.028 8.139 1.00 1.90 C ATOM 1573 OG1 THR A 105 17.420 -4.045 9.109 1.00 2.27 O ATOM 1574 CG2 THR A 105 19.201 -2.922 7.948 1.00 2.43 C ATOM 0 H THR A 105 15.188 -1.040 7.970 1.00 1.14 H new ATOM 0 HA THR A 105 17.444 -1.395 9.556 1.00 1.42 H new ATOM 0 HB THR A 105 17.229 -3.310 7.198 1.00 1.90 H new ATOM 0 HG1 THR A 105 16.981 -3.643 9.887 1.00 2.27 H new ATOM 0 HG21 THR A 105 19.600 -3.894 7.658 1.00 2.43 H new ATOM 0 HG22 THR A 105 19.418 -2.193 7.167 1.00 2.43 H new ATOM 0 HG23 THR A 105 19.665 -2.603 8.881 1.00 2.43 H new ATOM 1582 N ASN A 106 17.107 -0.795 6.290 1.00 1.04 N ATOM 1583 CA ASN A 106 17.636 -0.088 5.123 1.00 0.88 C ATOM 1584 C ASN A 106 19.003 -0.652 4.765 1.00 0.81 C ATOM 1585 O ASN A 106 20.042 -0.098 5.134 1.00 0.79 O ATOM 1586 CB ASN A 106 17.712 1.431 5.340 1.00 0.97 C ATOM 1587 CG ASN A 106 18.219 2.186 4.118 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.441 2.570 3.240 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.516 2.415 4.056 1.00 0.80 N ATOM 0 H ASN A 106 16.337 -1.427 6.071 1.00 1.04 H new ATOM 0 HA ASN A 106 16.945 -0.247 4.295 1.00 0.88 H new ATOM 0 HB2 ASN A 106 16.723 1.804 5.605 1.00 0.97 H new ATOM 0 HB3 ASN A 106 18.368 1.639 6.186 1.00 0.97 H new ATOM 0 HD21 ASN A 106 19.907 2.925 3.264 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.129 2.082 4.801 1.00 0.80 H new ATOM 1596 N THR A 107 18.991 -1.791 4.095 1.00 0.86 N ATOM 1597 CA THR A 107 20.214 -2.420 3.629 1.00 0.89 C ATOM 1598 C THR A 107 20.589 -1.839 2.278 1.00 0.80 C ATOM 1599 O THR A 107 19.761 -1.864 1.372 1.00 0.86 O ATOM 1600 CB THR A 107 20.027 -3.942 3.490 1.00 1.13 C ATOM 1601 OG1 THR A 107 19.020 -4.395 4.404 1.00 1.68 O ATOM 1602 CG2 THR A 107 21.329 -4.676 3.767 1.00 1.53 C ATOM 0 H THR A 107 18.140 -2.302 3.860 1.00 0.86 H new ATOM 0 HA THR A 107 21.004 -2.230 4.356 1.00 0.89 H new ATOM 0 HB THR A 107 19.717 -4.155 2.467 1.00 1.13 H new ATOM 0 HG1 THR A 107 18.583 -5.193 4.040 1.00 1.68 H new ATOM 0 HG21 THR A 107 21.171 -5.749 3.663 1.00 1.53 H new ATOM 0 HG22 THR A 107 22.089 -4.350 3.056 1.00 1.53 H new ATOM 0 HG23 THR A 107 21.662 -4.455 4.781 1.00 1.53 H new ATOM 1610 N PRO A 108 21.842 -1.324 2.141 1.00 0.82 N ATOM 1611 CA PRO A 108 22.334 -0.582 0.974 1.00 0.84 C ATOM 1612 C PRO A 108 21.552 -0.846 -0.315 1.00 0.76 C ATOM 1613 O PRO A 108 21.869 -1.756 -1.088 1.00 0.91 O ATOM 1614 CB PRO A 108 23.771 -1.078 0.874 1.00 1.07 C ATOM 1615 CG PRO A 108 24.181 -1.382 2.287 1.00 1.26 C ATOM 1616 CD PRO A 108 22.922 -1.450 3.129 1.00 0.99 C ATOM 0 HA PRO A 108 22.230 0.496 1.095 1.00 0.84 H new ATOM 0 HB2 PRO A 108 23.839 -1.965 0.245 1.00 1.07 H new ATOM 0 HB3 PRO A 108 24.419 -0.322 0.430 1.00 1.07 H new ATOM 0 HG2 PRO A 108 24.723 -2.327 2.333 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.852 -0.611 2.665 1.00 1.26 H new ATOM 0 HD2 PRO A 108 22.856 -2.389 3.678 1.00 0.99 H new ATOM 0 HD3 PRO A 108 22.888 -0.647 3.866 1.00 0.99 H new ATOM 1624 N PRO A 109 20.488 -0.053 -0.521 1.00 0.61 N ATOM 1625 CA PRO A 109 19.517 -0.250 -1.590 1.00 0.56 C ATOM 1626 C PRO A 109 19.921 0.372 -2.918 1.00 0.57 C ATOM 1627 O PRO A 109 21.093 0.629 -3.186 1.00 0.76 O ATOM 1628 CB PRO A 109 18.256 0.452 -1.057 1.00 0.59 C ATOM 1629 CG PRO A 109 18.629 1.072 0.255 1.00 0.64 C ATOM 1630 CD PRO A 109 20.123 1.090 0.315 1.00 0.63 C ATOM 0 HA PRO A 109 19.398 -1.311 -1.809 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.910 1.211 -1.759 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.441 -0.261 -0.930 1.00 0.59 H new ATOM 0 HG2 PRO A 109 18.227 2.082 0.334 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.216 0.499 1.085 1.00 0.64 H new ATOM 0 HD2 PRO A 109 20.533 2.023 -0.072 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.489 0.980 1.336 1.00 0.63 H new ATOM 1638 N GLY A 110 18.910 0.614 -3.737 1.00 0.49 N ATOM 1639 CA GLY A 110 19.098 1.185 -5.047 1.00 0.58 C ATOM 1640 C GLY A 110 17.763 1.590 -5.623 1.00 0.54 C ATOM 1641 O GLY A 110 17.364 2.750 -5.526 1.00 0.76 O ATOM 0 H GLY A 110 17.936 0.417 -3.505 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.756 2.052 -4.985 1.00 0.58 H new ATOM 0 HA3 GLY A 110 19.583 0.462 -5.703 1.00 0.58 H new ATOM 1645 N ASN A 111 17.049 0.621 -6.172 1.00 0.45 N ATOM 1646 CA ASN A 111 15.704 0.856 -6.675 1.00 0.44 C ATOM 1647 C ASN A 111 14.742 -0.153 -6.057 1.00 0.42 C ATOM 1648 O ASN A 111 15.078 -1.331 -5.911 1.00 0.58 O ATOM 1649 CB ASN A 111 15.669 0.747 -8.202 1.00 0.56 C ATOM 1650 CG ASN A 111 14.396 1.320 -8.794 1.00 1.10 C ATOM 1651 OD1 ASN A 111 13.394 0.624 -8.953 1.00 2.04 O ATOM 1652 ND2 ASN A 111 14.433 2.600 -9.132 1.00 1.41 N ATOM 0 H ASN A 111 17.379 -0.338 -6.281 1.00 0.45 H new ATOM 0 HA ASN A 111 15.399 1.865 -6.397 1.00 0.44 H new ATOM 0 HB2 ASN A 111 16.529 1.270 -8.621 1.00 0.56 H new ATOM 0 HB3 ASN A 111 15.762 -0.300 -8.491 1.00 0.56 H new ATOM 0 HD21 ASN A 111 13.610 3.044 -9.541 1.00 1.41 H new ATOM 0 HD22 ASN A 111 15.284 3.142 -8.984 1.00 1.41 H new ATOM 1659 N TYR A 112 13.570 0.318 -5.660 1.00 0.35 N ATOM 1660 CA TYR A 112 12.545 -0.533 -5.068 1.00 0.37 C ATOM 1661 C TYR A 112 11.235 -0.388 -5.828 1.00 0.42 C ATOM 1662 O TYR A 112 10.873 0.707 -6.252 1.00 0.55 O ATOM 1663 CB TYR A 112 12.340 -0.175 -3.592 1.00 0.40 C ATOM 1664 CG TYR A 112 13.294 -0.879 -2.653 1.00 0.40 C ATOM 1665 CD1 TYR A 112 14.644 -0.565 -2.634 1.00 0.64 C ATOM 1666 CD2 TYR A 112 12.838 -1.858 -1.785 1.00 0.68 C ATOM 1667 CE1 TYR A 112 15.512 -1.208 -1.778 1.00 0.67 C ATOM 1668 CE2 TYR A 112 13.700 -2.505 -0.924 1.00 0.75 C ATOM 1669 CZ TYR A 112 15.036 -2.177 -0.924 1.00 0.59 C ATOM 1670 OH TYR A 112 15.902 -2.810 -0.066 1.00 0.69 O ATOM 0 H TYR A 112 13.301 1.299 -5.738 1.00 0.35 H new ATOM 0 HA TYR A 112 12.876 -1.569 -5.133 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.454 0.902 -3.470 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.317 -0.421 -3.307 1.00 0.40 H new ATOM 0 HD1 TYR A 112 15.022 0.196 -3.301 1.00 0.64 H new ATOM 0 HD2 TYR A 112 11.790 -2.119 -1.782 1.00 0.68 H new ATOM 0 HE1 TYR A 112 16.561 -0.953 -1.777 1.00 0.67 H new ATOM 0 HE2 TYR A 112 13.328 -3.265 -0.253 1.00 0.75 H new ATOM 0 HH TYR A 112 15.422 -3.076 0.746 1.00 0.69 H new ATOM 1680 N THR A 113 10.531 -1.492 -5.989 1.00 0.38 N ATOM 1681 CA THR A 113 9.294 -1.510 -6.743 1.00 0.46 C ATOM 1682 C THR A 113 8.161 -2.090 -5.908 1.00 0.51 C ATOM 1683 O THR A 113 8.173 -3.268 -5.568 1.00 0.83 O ATOM 1684 CB THR A 113 9.451 -2.345 -8.025 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.514 -1.817 -8.829 1.00 0.66 O ATOM 1686 CG2 THR A 113 8.156 -2.363 -8.828 1.00 0.74 C ATOM 0 H THR A 113 10.799 -2.397 -5.603 1.00 0.38 H new ATOM 0 HA THR A 113 9.055 -0.480 -7.009 1.00 0.46 H new ATOM 0 HB THR A 113 9.690 -3.368 -7.736 1.00 0.62 H new ATOM 0 HG1 THR A 113 10.608 -2.356 -9.642 1.00 0.66 H new ATOM 0 HG21 THR A 113 8.295 -2.960 -9.729 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.359 -2.797 -8.224 1.00 0.74 H new ATOM 0 HG23 THR A 113 7.886 -1.344 -9.106 1.00 0.74 H new ATOM 1694 N LEU A 114 7.198 -1.260 -5.569 1.00 0.34 N ATOM 1695 CA LEU A 114 6.035 -1.715 -4.835 1.00 0.38 C ATOM 1696 C LEU A 114 4.761 -1.306 -5.563 1.00 0.40 C ATOM 1697 O LEU A 114 4.205 -0.231 -5.331 1.00 0.47 O ATOM 1698 CB LEU A 114 6.044 -1.188 -3.392 1.00 0.43 C ATOM 1699 CG LEU A 114 6.416 0.286 -3.227 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.695 0.880 -2.029 1.00 0.51 C ATOM 1701 CD2 LEU A 114 7.922 0.447 -3.065 1.00 0.41 C ATOM 0 H LEU A 114 7.197 -0.264 -5.790 1.00 0.34 H new ATOM 0 HA LEU A 114 6.067 -2.803 -4.782 1.00 0.38 H new ATOM 0 HB2 LEU A 114 5.055 -1.345 -2.961 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.744 -1.788 -2.810 1.00 0.43 H new ATOM 0 HG LEU A 114 6.107 0.820 -4.126 1.00 0.41 H new ATOM 0 HD11 LEU A 114 5.969 1.930 -1.923 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.618 0.799 -2.176 1.00 0.51 H new ATOM 0 HD13 LEU A 114 5.980 0.338 -1.127 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.165 1.503 -2.949 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.254 -0.100 -2.183 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.427 0.053 -3.947 1.00 0.41 H new ATOM 1713 N THR A 115 4.335 -2.156 -6.483 1.00 0.42 N ATOM 1714 CA THR A 115 3.136 -1.912 -7.260 1.00 0.45 C ATOM 1715 C THR A 115 1.898 -2.089 -6.384 1.00 0.44 C ATOM 1716 O THR A 115 1.699 -3.146 -5.789 1.00 0.47 O ATOM 1717 CB THR A 115 3.068 -2.880 -8.457 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.380 -3.048 -9.016 1.00 0.56 O ATOM 1719 CG2 THR A 115 2.124 -2.352 -9.528 1.00 0.59 C ATOM 0 H THR A 115 4.810 -3.030 -6.710 1.00 0.42 H new ATOM 0 HA THR A 115 3.167 -0.888 -7.634 1.00 0.45 H new ATOM 0 HB THR A 115 2.690 -3.840 -8.104 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.527 -3.994 -9.227 1.00 0.56 H new ATOM 0 HG21 THR A 115 2.093 -3.052 -10.363 1.00 0.59 H new ATOM 0 HG22 THR A 115 1.124 -2.242 -9.109 1.00 0.59 H new ATOM 0 HG23 THR A 115 2.479 -1.383 -9.880 1.00 0.59 H new ATOM 1727 N LEU A 116 1.079 -1.053 -6.290 1.00 0.45 N ATOM 1728 CA LEU A 116 -0.099 -1.100 -5.442 1.00 0.47 C ATOM 1729 C LEU A 116 -1.364 -1.108 -6.285 1.00 0.48 C ATOM 1730 O LEU A 116 -1.616 -0.186 -7.063 1.00 0.63 O ATOM 1731 CB LEU A 116 -0.110 0.088 -4.478 1.00 0.54 C ATOM 1732 CG LEU A 116 1.080 0.156 -3.517 1.00 0.61 C ATOM 1733 CD1 LEU A 116 0.975 1.387 -2.632 1.00 1.27 C ATOM 1734 CD2 LEU A 116 1.162 -1.107 -2.671 1.00 1.05 C ATOM 0 H LEU A 116 1.209 -0.173 -6.789 1.00 0.45 H new ATOM 0 HA LEU A 116 -0.067 -2.021 -4.860 1.00 0.47 H new ATOM 0 HB2 LEU A 116 -0.139 1.009 -5.061 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -1.029 0.052 -3.892 1.00 0.54 H new ATOM 0 HG LEU A 116 1.994 0.230 -4.106 1.00 0.61 H new ATOM 0 HD11 LEU A 116 1.828 1.422 -1.954 1.00 1.27 H new ATOM 0 HD12 LEU A 116 0.969 2.282 -3.253 1.00 1.27 H new ATOM 0 HD13 LEU A 116 0.053 1.341 -2.053 1.00 1.27 H new ATOM 0 HD21 LEU A 116 2.014 -1.038 -1.995 1.00 1.05 H new ATOM 0 HD22 LEU A 116 0.246 -1.216 -2.090 1.00 1.05 H new ATOM 0 HD23 LEU A 116 1.284 -1.973 -3.321 1.00 1.05 H new ATOM 1746 N THR A 117 -2.152 -2.156 -6.133 1.00 0.44 N ATOM 1747 CA THR A 117 -3.383 -2.306 -6.882 1.00 0.48 C ATOM 1748 C THR A 117 -4.550 -1.724 -6.098 1.00 0.58 C ATOM 1749 O THR A 117 -4.821 -2.138 -4.965 1.00 0.70 O ATOM 1750 CB THR A 117 -3.667 -3.787 -7.192 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.497 -4.402 -7.747 1.00 0.56 O ATOM 1752 CG2 THR A 117 -4.827 -3.928 -8.170 1.00 0.57 C ATOM 0 H THR A 117 -1.957 -2.923 -5.490 1.00 0.44 H new ATOM 0 HA THR A 117 -3.268 -1.767 -7.823 1.00 0.48 H new ATOM 0 HB THR A 117 -3.937 -4.283 -6.260 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.683 -5.344 -7.941 1.00 0.56 H new ATOM 0 HG21 THR A 117 -5.006 -4.984 -8.372 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.724 -3.484 -7.738 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.582 -3.417 -9.101 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.221 -0.754 -6.694 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.369 -0.159 -6.058 1.00 0.79 C ATOM 1762 C GLY A 118 -7.591 -1.046 -6.157 1.00 0.64 C ATOM 1763 O GLY A 118 -7.622 -1.994 -6.946 1.00 0.80 O ATOM 0 H GLY A 118 -4.989 -0.369 -7.609 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -6.144 0.033 -5.009 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.581 0.805 -6.520 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.594 -0.751 -5.351 1.00 0.52 N ATOM 1768 CA GLY A 119 -9.819 -1.509 -5.387 1.00 0.50 C ATOM 1769 C GLY A 119 -10.637 -1.306 -4.142 1.00 0.44 C ATOM 1770 O GLY A 119 -10.236 -0.569 -3.241 1.00 0.53 O ATOM 0 H GLY A 119 -8.580 0.006 -4.668 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.404 -1.214 -6.258 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.588 -2.568 -5.502 1.00 0.50 H new ATOM 1774 N TYR A 120 -11.783 -1.952 -4.081 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.608 -1.871 -2.900 1.00 0.41 C ATOM 1776 C TYR A 120 -12.624 -3.204 -2.177 1.00 0.43 C ATOM 1777 O TYR A 120 -11.989 -4.173 -2.605 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.033 -1.407 -3.236 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.824 -2.331 -4.144 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -14.777 -2.193 -5.531 1.00 0.63 C ATOM 1781 CD2 TYR A 120 -15.644 -3.321 -3.613 1.00 0.61 C ATOM 1782 CE1 TYR A 120 -15.518 -3.021 -6.354 1.00 0.73 C ATOM 1783 CE2 TYR A 120 -16.387 -4.147 -4.432 1.00 0.71 C ATOM 1784 CZ TYR A 120 -16.323 -3.994 -5.801 1.00 0.78 C ATOM 1785 OH TYR A 120 -17.073 -4.812 -6.616 1.00 0.89 O ATOM 0 H TYR A 120 -12.160 -2.533 -4.830 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.174 -1.122 -2.237 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.585 -1.282 -2.304 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -13.975 -0.426 -3.707 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -14.153 -1.428 -5.969 1.00 0.63 H new ATOM 0 HD2 TYR A 120 -15.700 -3.446 -2.542 1.00 0.61 H new ATOM 0 HE1 TYR A 120 -15.466 -2.906 -7.427 1.00 0.73 H new ATOM 0 HE2 TYR A 120 -17.017 -4.911 -4.002 1.00 0.71 H new ATOM 0 HH TYR A 120 -17.583 -5.443 -6.066 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.331 -3.236 -1.072 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.415 -4.412 -0.241 1.00 0.40 C ATOM 1797 C TRP A 121 -14.843 -4.553 0.282 1.00 0.48 C ATOM 1798 O TRP A 121 -15.491 -3.548 0.583 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.400 -4.273 0.896 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.531 -5.300 1.965 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.501 -5.334 2.914 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.673 -6.420 2.223 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.320 -6.406 3.733 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -12.210 -7.086 3.335 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.513 -6.943 1.630 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.643 -8.222 3.862 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.953 -8.086 2.176 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.522 -8.709 3.277 1.00 0.51 C ATOM 0 H TRP A 121 -13.867 -2.442 -0.723 1.00 0.39 H new ATOM 0 HA TRP A 121 -13.178 -5.314 -0.805 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.395 -4.327 0.478 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.507 -3.285 1.343 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -14.301 -4.614 3.006 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -13.920 -6.659 4.518 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -10.068 -6.466 0.769 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -12.079 -8.713 4.719 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -9.057 -8.500 1.737 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -10.062 -9.601 3.676 1.00 0.51 H new ATOM 1819 N ALA A 122 -15.337 -5.784 0.390 1.00 0.57 N ATOM 1820 CA ALA A 122 -16.732 -5.999 0.750 1.00 0.73 C ATOM 1821 C ALA A 122 -16.932 -7.179 1.695 1.00 0.90 C ATOM 1822 O ALA A 122 -17.629 -8.136 1.355 1.00 1.42 O ATOM 1823 CB ALA A 122 -17.572 -6.183 -0.506 1.00 0.94 C ATOM 0 H ALA A 122 -14.799 -6.636 0.235 1.00 0.57 H new ATOM 0 HA ALA A 122 -17.059 -5.110 1.289 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -18.613 -6.343 -0.227 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -17.496 -5.291 -1.128 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -17.209 -7.046 -1.063 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.319 -7.095 2.875 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.558 -8.044 3.969 1.00 0.97 C ATOM 1831 C LYS A 123 -15.532 -7.827 5.078 1.00 0.83 C ATOM 1832 O LYS A 123 -15.390 -6.716 5.580 1.00 0.86 O ATOM 1833 CB LYS A 123 -16.513 -9.504 3.499 1.00 1.10 C ATOM 1834 CG LYS A 123 -17.208 -10.487 4.441 1.00 1.83 C ATOM 1835 CD LYS A 123 -18.724 -10.291 4.477 1.00 1.97 C ATOM 1836 CE LYS A 123 -19.147 -9.082 5.305 1.00 2.89 C ATOM 1837 NZ LYS A 123 -18.817 -9.235 6.748 1.00 3.47 N ATOM 0 H LYS A 123 -15.641 -6.367 3.103 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.563 -7.855 4.347 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -16.977 -9.572 2.515 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.472 -9.804 3.382 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -16.984 -11.506 4.127 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -16.805 -10.368 5.447 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -19.094 -10.175 3.458 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -19.191 -11.187 4.886 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -18.656 -8.190 4.916 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -20.221 -8.929 5.196 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -19.298 -8.493 7.295 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -19.133 -10.169 7.079 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -17.789 -9.150 6.880 1.00 3.47 H new ATOM 1851 N ASP A 124 -14.787 -8.873 5.424 1.00 0.82 N ATOM 1852 CA ASP A 124 -13.788 -8.785 6.485 1.00 0.81 C ATOM 1853 C ASP A 124 -12.847 -9.989 6.468 1.00 0.71 C ATOM 1854 O ASP A 124 -13.280 -11.128 6.614 1.00 0.74 O ATOM 1855 CB ASP A 124 -14.459 -8.660 7.862 1.00 1.07 C ATOM 1856 CG ASP A 124 -15.303 -9.868 8.225 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -16.426 -10.000 7.686 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -14.845 -10.695 9.047 1.00 2.08 O ATOM 0 H ASP A 124 -14.856 -9.791 4.985 1.00 0.82 H new ATOM 0 HA ASP A 124 -13.197 -7.888 6.300 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -13.691 -8.519 8.622 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -15.087 -7.769 7.874 1.00 1.07 H new ATOM 1863 N ASN A 125 -11.566 -9.699 6.231 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.452 -10.670 6.270 1.00 0.73 C ATOM 1865 C ASN A 125 -10.551 -11.823 5.258 1.00 0.73 C ATOM 1866 O ASN A 125 -9.527 -12.314 4.790 1.00 0.91 O ATOM 1867 CB ASN A 125 -10.272 -11.210 7.681 1.00 0.87 C ATOM 1868 CG ASN A 125 -9.271 -12.350 7.753 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -9.641 -13.523 7.712 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -7.995 -12.013 7.837 1.00 2.40 N ATOM 0 H ASN A 125 -11.258 -8.755 5.999 1.00 0.70 H new ATOM 0 HA ASN A 125 -9.571 -10.106 5.964 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -9.943 -10.402 8.335 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -11.235 -11.554 8.059 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -7.277 -12.737 7.870 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -7.728 -11.029 7.869 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.759 -12.244 4.910 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.962 -13.352 3.974 1.00 0.76 C ATOM 1879 C LYS A 126 -11.449 -13.003 2.574 1.00 0.76 C ATOM 1880 O LYS A 126 -11.531 -13.817 1.655 1.00 1.09 O ATOM 1881 CB LYS A 126 -13.445 -13.757 3.939 1.00 0.84 C ATOM 1882 CG LYS A 126 -14.386 -12.705 3.366 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.703 -12.985 1.904 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.739 -12.017 1.364 1.00 1.39 C ATOM 1885 NZ LYS A 126 -16.037 -12.260 -0.073 1.00 1.96 N ATOM 0 H LYS A 126 -12.623 -11.833 5.263 1.00 0.66 H new ATOM 0 HA LYS A 126 -11.382 -14.205 4.326 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -13.543 -14.670 3.351 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -13.765 -13.995 4.953 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -15.310 -12.687 3.944 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -13.932 -11.718 3.460 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -13.791 -12.911 1.312 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -15.069 -14.007 1.799 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -16.657 -12.108 1.945 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -15.381 -10.995 1.492 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -16.657 -11.506 -0.431 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -15.150 -12.265 -0.615 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -16.512 -13.179 -0.178 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.956 -11.773 2.430 1.00 0.63 N ATOM 1900 CA GLN A 127 -10.392 -11.275 1.180 1.00 0.64 C ATOM 1901 C GLN A 127 -11.477 -11.014 0.164 1.00 0.63 C ATOM 1902 O GLN A 127 -11.361 -11.372 -1.004 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.328 -12.212 0.610 1.00 0.79 C ATOM 1904 CG GLN A 127 -7.997 -12.122 1.334 1.00 1.28 C ATOM 1905 CD GLN A 127 -6.910 -12.916 0.642 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -6.190 -12.396 -0.207 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -6.787 -14.183 1.001 1.00 1.62 N ATOM 0 H GLN A 127 -10.938 -11.089 3.187 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.898 -10.331 1.409 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -9.693 -13.238 0.661 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -9.177 -11.980 -0.444 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -7.693 -11.077 1.402 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -8.116 -12.486 2.354 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -7.406 -14.574 1.711 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -6.073 -14.769 0.568 1.00 1.62 H new ATOM 1916 N GLY A 128 -12.532 -10.361 0.619 1.00 0.50 N ATOM 1917 CA GLY A 128 -13.554 -9.904 -0.287 1.00 0.50 C ATOM 1918 C GLY A 128 -13.139 -8.617 -0.955 1.00 0.45 C ATOM 1919 O GLY A 128 -13.791 -7.591 -0.799 1.00 0.77 O ATOM 0 H GLY A 128 -12.697 -10.140 1.601 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -13.744 -10.666 -1.042 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -14.487 -9.753 0.256 1.00 0.50 H new ATOM 1923 N PHE A 129 -12.025 -8.665 -1.665 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.476 -7.489 -2.303 1.00 0.63 C ATOM 1925 C PHE A 129 -11.730 -7.542 -3.805 1.00 0.58 C ATOM 1926 O PHE A 129 -11.739 -8.621 -4.400 1.00 0.63 O ATOM 1927 CB PHE A 129 -9.969 -7.401 -2.022 1.00 0.72 C ATOM 1928 CG PHE A 129 -9.140 -8.482 -2.672 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.932 -9.694 -2.035 1.00 1.02 C ATOM 1930 CD2 PHE A 129 -8.556 -8.277 -3.916 1.00 0.75 C ATOM 1931 CE1 PHE A 129 -8.166 -10.682 -2.624 1.00 1.21 C ATOM 1932 CE2 PHE A 129 -7.789 -9.263 -4.509 1.00 0.89 C ATOM 1933 CZ PHE A 129 -7.593 -10.466 -3.862 1.00 1.14 C ATOM 0 H PHE A 129 -11.482 -9.515 -1.813 1.00 0.61 H new ATOM 0 HA PHE A 129 -11.964 -6.602 -1.898 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -9.606 -6.431 -2.362 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -9.812 -7.441 -0.944 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -9.374 -9.869 -1.065 1.00 1.02 H new ATOM 0 HD2 PHE A 129 -8.703 -7.336 -4.426 1.00 0.75 H new ATOM 0 HE1 PHE A 129 -8.015 -11.623 -2.116 1.00 1.21 H new ATOM 0 HE2 PHE A 129 -7.344 -9.092 -5.478 1.00 0.89 H new ATOM 0 HZ PHE A 129 -6.993 -11.237 -4.323 1.00 1.14 H new ATOM 1943 N THR A 130 -11.936 -6.391 -4.413 1.00 0.61 N ATOM 1944 CA THR A 130 -12.114 -6.321 -5.850 1.00 0.63 C ATOM 1945 C THR A 130 -11.217 -5.238 -6.438 1.00 0.60 C ATOM 1946 O THR A 130 -11.389 -4.058 -6.134 1.00 0.67 O ATOM 1947 CB THR A 130 -13.581 -6.030 -6.218 1.00 0.73 C ATOM 1948 OG1 THR A 130 -14.455 -6.890 -5.470 1.00 1.47 O ATOM 1949 CG2 THR A 130 -13.817 -6.230 -7.708 1.00 0.90 C ATOM 0 H THR A 130 -11.984 -5.491 -3.935 1.00 0.61 H new ATOM 0 HA THR A 130 -11.839 -7.290 -6.267 1.00 0.63 H new ATOM 0 HB THR A 130 -13.795 -4.990 -5.970 1.00 0.73 H new ATOM 0 HG1 THR A 130 -15.177 -6.359 -5.075 1.00 1.47 H new ATOM 0 HG21 THR A 130 -14.860 -6.018 -7.943 1.00 0.90 H new ATOM 0 HG22 THR A 130 -13.174 -5.555 -8.272 1.00 0.90 H new ATOM 0 HG23 THR A 130 -13.586 -7.261 -7.978 1.00 0.90 H new ATOM 1957 N PRO A 131 -10.220 -5.636 -7.245 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.318 -4.695 -7.918 1.00 0.65 C ATOM 1959 C PRO A 131 -10.073 -3.784 -8.879 1.00 0.63 C ATOM 1960 O PRO A 131 -10.689 -4.247 -9.842 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.343 -5.602 -8.680 1.00 0.80 C ATOM 1962 CG PRO A 131 -8.466 -6.937 -8.032 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.888 -7.032 -7.563 1.00 0.75 C ATOM 0 HA PRO A 131 -8.819 -4.028 -7.215 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -8.598 -5.653 -9.739 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.322 -5.225 -8.616 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -8.231 -7.736 -8.735 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -7.771 -7.032 -7.197 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -10.542 -7.438 -8.335 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -9.984 -7.679 -6.691 1.00 0.75 H new ATOM 1971 N SER A 132 -10.019 -2.491 -8.612 1.00 0.55 N ATOM 1972 CA SER A 132 -10.786 -1.517 -9.369 1.00 0.57 C ATOM 1973 C SER A 132 -10.006 -0.211 -9.493 1.00 0.56 C ATOM 1974 O SER A 132 -9.144 0.085 -8.668 1.00 0.73 O ATOM 1975 CB SER A 132 -12.132 -1.265 -8.679 1.00 0.64 C ATOM 1976 OG SER A 132 -12.931 -2.436 -8.656 1.00 1.52 O ATOM 0 H SER A 132 -9.447 -2.088 -7.870 1.00 0.55 H new ATOM 0 HA SER A 132 -10.967 -1.910 -10.369 1.00 0.57 H new ATOM 0 HB2 SER A 132 -11.960 -0.920 -7.659 1.00 0.64 H new ATOM 0 HB3 SER A 132 -12.665 -0.469 -9.199 1.00 0.64 H new ATOM 0 HG SER A 132 -13.551 -2.394 -7.898 1.00 1.52 H new ATOM 1982 N GLY A 133 -10.297 0.557 -10.533 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.652 1.841 -10.706 1.00 0.57 C ATOM 1984 C GLY A 133 -8.307 1.730 -11.392 1.00 0.62 C ATOM 1985 O GLY A 133 -8.206 1.182 -12.491 1.00 1.17 O ATOM 0 H GLY A 133 -10.969 0.313 -11.260 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -10.301 2.493 -11.290 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.521 2.312 -9.732 1.00 0.57 H new ATOM 1989 N THR A 134 -7.269 2.231 -10.739 1.00 0.62 N ATOM 1990 CA THR A 134 -5.940 2.265 -11.326 1.00 0.97 C ATOM 1991 C THR A 134 -4.917 1.578 -10.423 1.00 0.68 C ATOM 1992 O THR A 134 -5.002 1.664 -9.196 1.00 0.95 O ATOM 1993 CB THR A 134 -5.502 3.721 -11.578 1.00 1.77 C ATOM 1994 OG1 THR A 134 -6.492 4.396 -12.360 1.00 2.38 O ATOM 1995 CG2 THR A 134 -4.163 3.786 -12.297 1.00 2.47 C ATOM 0 H THR A 134 -7.323 2.621 -9.798 1.00 0.62 H new ATOM 0 HA THR A 134 -5.985 1.728 -12.273 1.00 0.97 H new ATOM 0 HB THR A 134 -5.393 4.208 -10.609 1.00 1.77 H new ATOM 0 HG1 THR A 134 -6.061 4.845 -13.117 1.00 2.38 H new ATOM 0 HG21 THR A 134 -3.886 4.828 -12.458 1.00 2.47 H new ATOM 0 HG22 THR A 134 -3.400 3.297 -11.691 1.00 2.47 H new ATOM 0 HG23 THR A 134 -4.241 3.279 -13.259 1.00 2.47 H new ATOM 2003 N THR A 135 -3.970 0.883 -11.035 1.00 0.72 N ATOM 2004 CA THR A 135 -2.866 0.282 -10.311 1.00 0.70 C ATOM 2005 C THR A 135 -1.681 1.245 -10.302 1.00 0.64 C ATOM 2006 O THR A 135 -1.100 1.535 -11.348 1.00 0.88 O ATOM 2007 CB THR A 135 -2.432 -1.046 -10.962 1.00 1.08 C ATOM 2008 OG1 THR A 135 -3.583 -1.860 -11.229 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.470 -1.807 -10.061 1.00 1.27 C ATOM 0 H THR A 135 -3.947 0.722 -12.042 1.00 0.72 H new ATOM 0 HA THR A 135 -3.196 0.078 -9.292 1.00 0.70 H new ATOM 0 HB THR A 135 -1.922 -0.814 -11.897 1.00 1.08 H new ATOM 0 HG1 THR A 135 -3.300 -2.701 -11.644 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.180 -2.740 -10.544 1.00 1.27 H new ATOM 0 HG22 THR A 135 -0.583 -1.200 -9.881 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.958 -2.027 -9.111 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.342 1.749 -9.128 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.262 2.705 -9.017 1.00 0.58 C ATOM 2019 C GLY A 136 1.041 2.046 -8.618 1.00 0.45 C ATOM 2020 O GLY A 136 1.105 1.333 -7.616 1.00 0.67 O ATOM 0 H GLY A 136 -1.797 1.512 -8.246 1.00 0.52 H new ATOM 0 HA2 GLY A 136 -0.132 3.217 -9.970 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.524 3.464 -8.280 1.00 0.58 H new ATOM 2024 N THR A 137 2.077 2.275 -9.399 1.00 0.38 N ATOM 2025 CA THR A 137 3.370 1.687 -9.126 1.00 0.33 C ATOM 2026 C THR A 137 4.232 2.654 -8.324 1.00 0.33 C ATOM 2027 O THR A 137 4.806 3.596 -8.871 1.00 0.39 O ATOM 2028 CB THR A 137 4.099 1.306 -10.430 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.233 0.518 -11.261 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.367 0.517 -10.133 1.00 0.50 C ATOM 0 H THR A 137 2.047 2.866 -10.230 1.00 0.38 H new ATOM 0 HA THR A 137 3.205 0.780 -8.545 1.00 0.33 H new ATOM 0 HB THR A 137 4.372 2.225 -10.948 1.00 0.42 H new ATOM 0 HG1 THR A 137 3.701 0.280 -12.089 1.00 0.58 H new ATOM 0 HG21 THR A 137 5.863 0.260 -11.069 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.037 1.121 -9.521 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.110 -0.396 -9.596 1.00 0.50 H new ATOM 2038 N THR A 138 4.295 2.440 -7.021 1.00 0.32 N ATOM 2039 CA THR A 138 5.157 3.239 -6.177 1.00 0.36 C ATOM 2040 C THR A 138 6.588 2.724 -6.292 1.00 0.37 C ATOM 2041 O THR A 138 6.869 1.561 -6.001 1.00 0.38 O ATOM 2042 CB THR A 138 4.692 3.215 -4.707 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.298 3.540 -4.640 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.485 4.209 -3.869 1.00 0.52 C ATOM 0 H THR A 138 3.761 1.723 -6.529 1.00 0.32 H new ATOM 0 HA THR A 138 5.110 4.275 -6.514 1.00 0.36 H new ATOM 0 HB THR A 138 4.860 2.214 -4.309 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.003 3.523 -3.706 1.00 0.40 H new ATOM 0 HG21 THR A 138 5.138 4.173 -2.836 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.544 3.952 -3.905 1.00 0.52 H new ATOM 0 HG23 THR A 138 5.342 5.214 -4.265 1.00 0.52 H new ATOM 2052 N LYS A 139 7.481 3.578 -6.753 1.00 0.41 N ATOM 2053 CA LYS A 139 8.861 3.192 -6.955 1.00 0.44 C ATOM 2054 C LYS A 139 9.750 3.954 -5.987 1.00 0.44 C ATOM 2055 O LYS A 139 9.791 5.188 -5.981 1.00 0.49 O ATOM 2056 CB LYS A 139 9.274 3.430 -8.410 1.00 0.53 C ATOM 2057 CG LYS A 139 10.661 2.905 -8.752 1.00 0.59 C ATOM 2058 CD LYS A 139 10.900 2.900 -10.256 1.00 1.21 C ATOM 2059 CE LYS A 139 10.095 1.812 -10.955 1.00 1.33 C ATOM 2060 NZ LYS A 139 10.565 0.445 -10.598 1.00 2.18 N ATOM 0 H LYS A 139 7.273 4.547 -6.995 1.00 0.41 H new ATOM 0 HA LYS A 139 8.975 2.127 -6.755 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.545 2.955 -9.067 1.00 0.53 H new ATOM 0 HB3 LYS A 139 9.240 4.500 -8.617 1.00 0.53 H new ATOM 0 HG2 LYS A 139 11.415 3.523 -8.265 1.00 0.59 H new ATOM 0 HG3 LYS A 139 10.775 1.894 -8.361 1.00 0.59 H new ATOM 0 HD2 LYS A 139 10.632 3.872 -10.669 1.00 1.21 H new ATOM 0 HD3 LYS A 139 11.961 2.751 -10.455 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.043 1.913 -10.689 1.00 1.33 H new ATOM 0 HE3 LYS A 139 10.165 1.948 -12.034 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 10.552 -0.159 -11.445 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 11.534 0.498 -10.225 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 9.937 0.040 -9.875 1.00 2.18 H new ATOM 2074 N LEU A 140 10.437 3.204 -5.154 1.00 0.45 N ATOM 2075 CA LEU A 140 11.229 3.770 -4.087 1.00 0.44 C ATOM 2076 C LEU A 140 12.726 3.631 -4.386 1.00 0.39 C ATOM 2077 O LEU A 140 13.354 2.607 -4.117 1.00 0.40 O ATOM 2078 CB LEU A 140 10.816 3.102 -2.761 1.00 0.46 C ATOM 2079 CG LEU A 140 11.879 3.029 -1.666 1.00 0.53 C ATOM 2080 CD1 LEU A 140 12.273 4.417 -1.200 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.375 2.201 -0.499 1.00 0.62 C ATOM 0 H LEU A 140 10.462 2.185 -5.198 1.00 0.45 H new ATOM 0 HA LEU A 140 11.042 4.840 -4.001 1.00 0.44 H new ATOM 0 HB2 LEU A 140 9.955 3.640 -2.363 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.484 2.087 -2.981 1.00 0.46 H new ATOM 0 HG LEU A 140 12.765 2.548 -2.081 1.00 0.53 H new ATOM 0 HD11 LEU A 140 13.031 4.338 -0.421 1.00 0.63 H new ATOM 0 HD12 LEU A 140 12.675 4.983 -2.041 1.00 0.63 H new ATOM 0 HD13 LEU A 140 11.397 4.930 -0.803 1.00 0.63 H new ATOM 0 HD21 LEU A 140 12.142 2.157 0.274 1.00 0.62 H new ATOM 0 HD22 LEU A 140 10.474 2.659 -0.091 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.146 1.192 -0.841 1.00 0.62 H new ATOM 2093 N THR A 141 13.277 4.681 -4.962 1.00 0.39 N ATOM 2094 CA THR A 141 14.693 4.751 -5.287 1.00 0.38 C ATOM 2095 C THR A 141 15.445 5.368 -4.116 1.00 0.34 C ATOM 2096 O THR A 141 14.870 6.148 -3.373 1.00 0.40 O ATOM 2097 CB THR A 141 14.914 5.614 -6.549 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.960 5.254 -7.556 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.323 5.440 -7.104 1.00 0.54 C ATOM 0 H THR A 141 12.753 5.517 -5.221 1.00 0.39 H new ATOM 0 HA THR A 141 15.063 3.744 -5.480 1.00 0.38 H new ATOM 0 HB THR A 141 14.783 6.659 -6.267 1.00 0.48 H new ATOM 0 HG1 THR A 141 14.103 5.805 -8.354 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.444 6.061 -7.991 1.00 0.54 H new ATOM 0 HG22 THR A 141 17.051 5.739 -6.350 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.483 4.395 -7.368 1.00 0.54 H new ATOM 2107 N VAL A 142 16.685 4.966 -3.880 1.00 0.44 N ATOM 2108 CA VAL A 142 17.495 5.654 -2.881 1.00 0.57 C ATOM 2109 C VAL A 142 18.498 6.595 -3.552 1.00 0.77 C ATOM 2110 O VAL A 142 19.272 6.190 -4.423 1.00 1.10 O ATOM 2111 CB VAL A 142 18.227 4.673 -1.937 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.166 3.760 -2.705 1.00 1.69 C ATOM 2113 CG2 VAL A 142 18.985 5.427 -0.855 1.00 1.74 C ATOM 0 H VAL A 142 17.145 4.187 -4.352 1.00 0.44 H new ATOM 0 HA VAL A 142 16.810 6.241 -2.269 1.00 0.57 H new ATOM 0 HB VAL A 142 17.470 4.050 -1.460 1.00 0.80 H new ATOM 0 HG11 VAL A 142 19.664 3.083 -2.011 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.596 3.180 -3.431 1.00 1.69 H new ATOM 0 HG13 VAL A 142 19.912 4.360 -3.225 1.00 1.69 H new ATOM 0 HG21 VAL A 142 19.492 4.716 -0.203 1.00 1.74 H new ATOM 0 HG22 VAL A 142 19.721 6.084 -1.317 1.00 1.74 H new ATOM 0 HG23 VAL A 142 18.285 6.022 -0.268 1.00 1.74 H new ATOM 2123 N THR A 143 18.445 7.861 -3.171 1.00 0.85 N ATOM 2124 CA THR A 143 19.349 8.873 -3.696 1.00 1.18 C ATOM 2125 C THR A 143 19.439 10.035 -2.712 1.00 1.82 C ATOM 2126 O THR A 143 18.436 10.759 -2.558 1.00 2.22 O ATOM 2127 CB THR A 143 18.888 9.402 -5.075 1.00 1.54 C ATOM 2128 OG1 THR A 143 18.740 8.315 -6.002 1.00 2.04 O ATOM 2129 CG2 THR A 143 19.887 10.407 -5.633 1.00 1.94 C ATOM 2130 OXT THR A 143 20.499 10.204 -2.073 1.00 2.58 O ATOM 0 H THR A 143 17.775 8.217 -2.489 1.00 0.85 H new ATOM 0 HA THR A 143 20.327 8.409 -3.826 1.00 1.18 H new ATOM 0 HB THR A 143 17.927 9.898 -4.939 1.00 1.54 H new ATOM 0 HG1 THR A 143 18.446 8.663 -6.870 1.00 2.04 H new ATOM 0 HG21 THR A 143 19.541 10.764 -6.603 1.00 1.94 H new ATOM 0 HG22 THR A 143 19.977 11.249 -4.947 1.00 1.94 H new ATOM 0 HG23 THR A 143 20.859 9.928 -5.749 1.00 1.94 H new