USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 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 61 GLN : amide:sc= -4.01! C(o=-12!,f=-15!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -7.69! C(o=-12!,f=-12!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -107:sc= -2! (180deg=-3.21!) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.935 K(o=-1.1,f=-6.2) USER MOD Set 3.1: A 14 CYS SG : rot 22:sc= -8.68! USER MOD Set 3.2: A 35 TYR OH : rot -149:sc= -0.171 USER MOD Set 4.1: A 18 LYS NZ :NH3+ -123:sc= -6.02! (180deg=-8.81!) USER MOD Set 4.2: A 33 TYR OH : rot 130:sc= 0.96 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.044 (180deg=-0.371) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.0889! (180deg=-0.057!) USER MOD Single : A 2 GLN : amide:sc= 0.379 K(o=0.38,f=-6.2!) USER MOD Single : A 3 THR OG1 : rot -160:sc= 1.17 USER MOD Single : A 9 SER OG : rot -2:sc= 1.98 USER MOD Single : A 11 CYS SG : rot -140:sc= -0.382 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= -2.78 (180deg=-8.13!) USER MOD Single : A 25 SER OG : rot 12:sc= 1.07 USER MOD Single : A 26 ASN : amide:sc= 0.624 K(o=0.62,f=-0.0096) USER MOD Single : A 32 GLN : amide:sc=-0.000998 X(o=-0.001,f=-0.25) USER MOD Single : A 34 GLN : amide:sc= -0.513! C(o=-0.51!,f=-4.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.476 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= -2.28 (180deg=-3.77!) USER MOD Single : A 54 LYS NZ :NH3+ -123:sc= 2.12 (180deg=0.612) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.969 USER MOD Single : A 66 GLN : amide:sc=-0.000906 K(o=-0.00091,f=-0.65) USER MOD Single : A 67 GLN : amide:sc= 0.883 K(o=0.88,f=-6.2!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0575 USER MOD Single : A 80 LYS NZ :NH3+ -137:sc= 1.3 (180deg=-0.443) USER MOD Single : A 82 ASN : amide:sc= 0.179 X(o=0.18,f=-0.095) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.242 -4.275 7.954 1.00 2.12 N ATOM 2 CA MET A 1 -6.058 -3.643 8.613 1.00 1.38 C ATOM 3 C MET A 1 -5.733 -2.340 7.882 1.00 1.26 C ATOM 4 O MET A 1 -6.474 -1.919 7.015 1.00 1.29 O ATOM 5 CB MET A 1 -4.801 -4.536 8.546 1.00 1.45 C ATOM 6 CG MET A 1 -5.008 -5.855 9.302 1.00 2.20 C ATOM 7 SD MET A 1 -3.523 -6.852 9.600 1.00 2.98 S ATOM 8 CE MET A 1 -2.911 -6.923 7.896 1.00 2.70 C ATOM 0 H1 MET A 1 -7.560 -5.089 8.518 1.00 2.12 H new ATOM 0 H2 MET A 1 -8.012 -3.580 7.884 1.00 2.12 H new ATOM 0 H3 MET A 1 -6.978 -4.597 7.001 1.00 2.12 H new ATOM 0 HA MET A 1 -6.314 -3.481 9.660 1.00 1.38 H new ATOM 0 HB2 MET A 1 -4.558 -4.747 7.505 1.00 1.45 H new ATOM 0 HB3 MET A 1 -3.951 -4.002 8.970 1.00 1.45 H new ATOM 0 HG2 MET A 1 -5.467 -5.629 10.264 1.00 2.20 H new ATOM 0 HG3 MET A 1 -5.721 -6.461 8.743 1.00 2.20 H new ATOM 0 HE1 MET A 1 -2.131 -7.681 7.821 1.00 2.70 H new ATOM 0 HE2 MET A 1 -3.731 -7.179 7.225 1.00 2.70 H new ATOM 0 HE3 MET A 1 -2.502 -5.952 7.616 1.00 2.70 H new ATOM 18 N GLN A 2 -4.611 -1.758 8.229 1.00 1.21 N ATOM 19 CA GLN A 2 -4.175 -0.496 7.594 1.00 1.16 C ATOM 20 C GLN A 2 -2.987 -0.784 6.669 1.00 1.18 C ATOM 21 O GLN A 2 -2.256 -1.738 6.885 1.00 1.74 O ATOM 22 CB GLN A 2 -3.765 0.465 8.716 1.00 1.25 C ATOM 23 CG GLN A 2 -4.626 1.725 8.657 1.00 1.70 C ATOM 24 CD GLN A 2 -4.039 2.687 7.627 1.00 2.80 C ATOM 25 OE1 GLN A 2 -3.951 2.379 6.453 1.00 4.06 O ATOM 26 NE2 GLN A 2 -3.603 3.842 8.024 1.00 3.82 N ATOM 0 H GLN A 2 -3.974 -2.119 8.939 1.00 1.21 H new ATOM 0 HA GLN A 2 -4.973 -0.053 6.998 1.00 1.16 H new ATOM 0 HB2 GLN A 2 -3.881 -0.021 9.685 1.00 1.25 H new ATOM 0 HB3 GLN A 2 -2.712 0.728 8.616 1.00 1.25 H new ATOM 0 HG2 GLN A 2 -5.651 1.467 8.389 1.00 1.70 H new ATOM 0 HG3 GLN A 2 -4.663 2.201 9.637 1.00 1.70 H new ATOM 0 HE21 GLN A 2 -3.675 4.104 9.007 1.00 3.82 H new ATOM 0 HE22 GLN A 2 -3.188 4.489 7.353 1.00 3.82 H new ATOM 35 N THR A 3 -2.795 0.052 5.681 1.00 0.98 N ATOM 36 CA THR A 3 -1.675 -0.159 4.724 1.00 1.03 C ATOM 37 C THR A 3 -1.117 1.220 4.333 1.00 0.98 C ATOM 38 O THR A 3 -1.877 2.150 4.145 1.00 1.17 O ATOM 39 CB THR A 3 -2.249 -0.909 3.513 1.00 1.11 C ATOM 40 OG1 THR A 3 -3.164 -1.860 4.063 1.00 1.24 O ATOM 41 CG2 THR A 3 -1.196 -1.779 2.826 1.00 1.51 C ATOM 0 H THR A 3 -3.370 0.874 5.498 1.00 0.98 H new ATOM 0 HA THR A 3 -0.861 -0.745 5.150 1.00 1.03 H new ATOM 0 HB THR A 3 -2.659 -0.184 2.810 1.00 1.11 H new ATOM 0 HG1 THR A 3 -3.325 -2.574 3.411 1.00 1.24 H new ATOM 0 HG21 THR A 3 -1.646 -2.291 1.975 1.00 1.51 H new ATOM 0 HG22 THR A 3 -0.375 -1.151 2.479 1.00 1.51 H new ATOM 0 HG23 THR A 3 -0.815 -2.516 3.533 1.00 1.51 H new ATOM 49 N VAL A 4 0.177 1.330 4.146 1.00 0.75 N ATOM 50 CA VAL A 4 0.754 2.678 3.807 1.00 0.72 C ATOM 51 C VAL A 4 1.640 2.641 2.546 1.00 0.60 C ATOM 52 O VAL A 4 2.566 1.847 2.459 1.00 0.57 O ATOM 53 CB VAL A 4 1.598 3.147 5.009 1.00 0.79 C ATOM 54 CG1 VAL A 4 1.933 4.638 4.852 1.00 0.96 C ATOM 55 CG2 VAL A 4 0.832 2.934 6.327 1.00 1.22 C ATOM 0 H VAL A 4 0.849 0.565 4.211 1.00 0.75 H new ATOM 0 HA VAL A 4 -0.068 3.363 3.599 1.00 0.72 H new ATOM 0 HB VAL A 4 2.516 2.561 5.037 1.00 0.79 H new ATOM 0 HG11 VAL A 4 2.530 4.968 5.702 1.00 0.96 H new ATOM 0 HG12 VAL A 4 2.498 4.789 3.932 1.00 0.96 H new ATOM 0 HG13 VAL A 4 1.010 5.216 4.810 1.00 0.96 H new ATOM 0 HG21 VAL A 4 1.445 3.271 7.163 1.00 1.22 H new ATOM 0 HG22 VAL A 4 -0.096 3.505 6.305 1.00 1.22 H new ATOM 0 HG23 VAL A 4 0.604 1.875 6.448 1.00 1.22 H new ATOM 65 N ILE A 5 1.341 3.506 1.600 1.00 0.63 N ATOM 66 CA ILE A 5 2.158 3.562 0.347 1.00 0.64 C ATOM 67 C ILE A 5 2.966 4.863 0.373 1.00 0.64 C ATOM 68 O ILE A 5 2.402 5.930 0.571 1.00 0.74 O ATOM 69 CB ILE A 5 1.257 3.596 -0.922 1.00 0.80 C ATOM 70 CG1 ILE A 5 0.549 2.271 -1.207 1.00 0.89 C ATOM 71 CG2 ILE A 5 2.115 3.873 -2.170 1.00 0.86 C ATOM 72 CD1 ILE A 5 -0.430 1.903 -0.088 1.00 1.27 C ATOM 0 H ILE A 5 0.569 4.172 1.644 1.00 0.63 H new ATOM 0 HA ILE A 5 2.792 2.676 0.306 1.00 0.64 H new ATOM 0 HB ILE A 5 0.519 4.373 -0.723 1.00 0.80 H new ATOM 0 HG12 ILE A 5 0.012 2.341 -2.153 1.00 0.89 H new ATOM 0 HG13 ILE A 5 1.289 1.479 -1.319 1.00 0.89 H new ATOM 0 HG21 ILE A 5 1.476 3.895 -3.053 1.00 0.86 H new ATOM 0 HG22 ILE A 5 2.616 4.835 -2.061 1.00 0.86 H new ATOM 0 HG23 ILE A 5 2.861 3.086 -2.281 1.00 0.86 H new ATOM 0 HD11 ILE A 5 -0.914 0.956 -0.325 1.00 1.27 H new ATOM 0 HD12 ILE A 5 0.112 1.808 0.853 1.00 1.27 H new ATOM 0 HD13 ILE A 5 -1.185 2.683 0.006 1.00 1.27 H new ATOM 84 N PHE A 6 4.248 4.766 0.135 1.00 0.65 N ATOM 85 CA PHE A 6 5.096 5.993 0.113 1.00 0.82 C ATOM 86 C PHE A 6 5.505 6.163 -1.342 1.00 1.13 C ATOM 87 O PHE A 6 6.217 5.315 -1.867 1.00 1.37 O ATOM 88 CB PHE A 6 6.355 5.814 0.974 1.00 0.94 C ATOM 89 CG PHE A 6 5.980 5.628 2.451 1.00 0.85 C ATOM 90 CD1 PHE A 6 5.461 4.428 2.896 1.00 1.39 C ATOM 91 CD2 PHE A 6 6.176 6.652 3.365 1.00 0.92 C ATOM 92 CE1 PHE A 6 5.147 4.247 4.227 1.00 1.66 C ATOM 93 CE2 PHE A 6 5.859 6.469 4.696 1.00 1.16 C ATOM 94 CZ PHE A 6 5.347 5.269 5.129 1.00 1.43 C ATOM 0 H PHE A 6 4.743 3.892 -0.045 1.00 0.65 H new ATOM 0 HA PHE A 6 4.555 6.853 0.509 1.00 0.82 H new ATOM 0 HB2 PHE A 6 6.920 4.950 0.625 1.00 0.94 H new ATOM 0 HB3 PHE A 6 7.003 6.684 0.865 1.00 0.94 H new ATOM 0 HD1 PHE A 6 5.299 3.623 2.195 1.00 1.39 H new ATOM 0 HD2 PHE A 6 6.579 7.598 3.034 1.00 0.92 H new ATOM 0 HE1 PHE A 6 4.744 3.303 4.562 1.00 1.66 H new ATOM 0 HE2 PHE A 6 6.014 7.273 5.401 1.00 1.16 H new ATOM 0 HZ PHE A 6 5.103 5.128 6.172 1.00 1.43 H new ATOM 104 N GLY A 7 5.002 7.192 -1.978 1.00 1.23 N ATOM 105 CA GLY A 7 5.344 7.408 -3.412 1.00 1.58 C ATOM 106 C GLY A 7 5.833 8.824 -3.696 1.00 1.06 C ATOM 107 O GLY A 7 6.527 9.421 -2.892 1.00 1.19 O ATOM 0 H GLY A 7 4.375 7.885 -1.568 1.00 1.23 H new ATOM 0 HA2 GLY A 7 6.115 6.696 -3.708 1.00 1.58 H new ATOM 0 HA3 GLY A 7 4.467 7.202 -4.025 1.00 1.58 H new ATOM 111 N ARG A 8 5.453 9.307 -4.858 1.00 1.75 N ATOM 112 CA ARG A 8 5.862 10.682 -5.320 1.00 1.64 C ATOM 113 C ARG A 8 4.627 11.456 -5.830 1.00 2.58 C ATOM 114 O ARG A 8 3.508 10.991 -5.672 1.00 3.74 O ATOM 115 CB ARG A 8 6.887 10.517 -6.460 1.00 1.88 C ATOM 116 CG ARG A 8 8.201 11.239 -6.116 1.00 1.56 C ATOM 117 CD ARG A 8 9.278 10.828 -7.139 1.00 2.30 C ATOM 118 NE ARG A 8 10.561 11.538 -6.832 1.00 3.07 N ATOM 119 CZ ARG A 8 11.578 10.851 -6.420 1.00 4.63 C ATOM 120 NH1 ARG A 8 11.685 10.650 -5.144 1.00 5.72 N ATOM 121 NH2 ARG A 8 12.415 10.384 -7.305 1.00 5.73 N ATOM 0 H ARG A 8 4.866 8.799 -5.520 1.00 1.75 H new ATOM 0 HA ARG A 8 6.302 11.242 -4.495 1.00 1.64 H new ATOM 0 HB2 ARG A 8 7.082 9.458 -6.631 1.00 1.88 H new ATOM 0 HB3 ARG A 8 6.477 10.919 -7.386 1.00 1.88 H new ATOM 0 HG2 ARG A 8 8.054 12.319 -6.136 1.00 1.56 H new ATOM 0 HG3 ARG A 8 8.521 10.980 -5.107 1.00 1.56 H new ATOM 0 HD2 ARG A 8 9.431 9.749 -7.107 1.00 2.30 H new ATOM 0 HD3 ARG A 8 8.948 11.073 -8.148 1.00 2.30 H new ATOM 0 HE ARG A 8 10.632 12.549 -6.946 1.00 3.07 H new ATOM 0 HH11 ARG A 8 10.983 11.028 -4.508 1.00 5.72 H new ATOM 0 HH12 ARG A 8 12.471 10.114 -4.776 1.00 5.72 H new ATOM 0 HH21 ARG A 8 12.261 10.563 -8.297 1.00 5.73 H new ATOM 0 HH22 ARG A 8 13.224 9.840 -7.005 1.00 5.73 H new ATOM 135 N SER A 9 4.855 12.567 -6.502 1.00 2.85 N ATOM 136 CA SER A 9 3.705 13.382 -7.023 1.00 3.89 C ATOM 137 C SER A 9 3.246 12.887 -8.402 1.00 3.40 C ATOM 138 O SER A 9 3.356 13.596 -9.386 1.00 4.04 O ATOM 139 CB SER A 9 4.139 14.851 -7.159 1.00 5.07 C ATOM 140 OG SER A 9 4.605 15.231 -5.870 1.00 5.65 O ATOM 0 H SER A 9 5.781 12.941 -6.710 1.00 2.85 H new ATOM 0 HA SER A 9 2.880 13.282 -6.318 1.00 3.89 H new ATOM 0 HB2 SER A 9 4.923 14.961 -7.908 1.00 5.07 H new ATOM 0 HB3 SER A 9 3.306 15.479 -7.476 1.00 5.07 H new ATOM 0 HG SER A 9 4.488 14.484 -5.247 1.00 5.65 H new ATOM 146 N GLY A 10 2.753 11.680 -8.452 1.00 3.03 N ATOM 147 CA GLY A 10 2.273 11.134 -9.759 1.00 3.28 C ATOM 148 C GLY A 10 3.336 10.225 -10.359 1.00 2.57 C ATOM 149 O GLY A 10 3.751 10.403 -11.492 1.00 2.60 O ATOM 0 H GLY A 10 2.661 11.051 -7.654 1.00 3.03 H new ATOM 0 HA2 GLY A 10 1.346 10.579 -9.613 1.00 3.28 H new ATOM 0 HA3 GLY A 10 2.050 11.951 -10.445 1.00 3.28 H new ATOM 153 N CYS A 11 3.750 9.272 -9.577 1.00 2.71 N ATOM 154 CA CYS A 11 4.786 8.317 -10.043 1.00 2.86 C ATOM 155 C CYS A 11 4.095 6.975 -10.301 1.00 2.39 C ATOM 156 O CYS A 11 3.819 6.252 -9.366 1.00 2.45 O ATOM 157 CB CYS A 11 5.841 8.166 -8.944 1.00 3.96 C ATOM 158 SG CYS A 11 7.313 7.184 -9.325 1.00 4.63 S ATOM 0 H CYS A 11 3.412 9.113 -8.628 1.00 2.71 H new ATOM 0 HA CYS A 11 5.272 8.667 -10.954 1.00 2.86 H new ATOM 0 HB2 CYS A 11 6.169 9.164 -8.654 1.00 3.96 H new ATOM 0 HB3 CYS A 11 5.358 7.723 -8.073 1.00 3.96 H new ATOM 0 HG CYS A 11 7.634 6.464 -8.291 1.00 4.63 H new ATOM 164 N PRO A 12 3.766 6.705 -11.552 1.00 2.24 N ATOM 165 CA PRO A 12 2.735 5.694 -11.927 1.00 1.85 C ATOM 166 C PRO A 12 2.847 4.378 -11.143 1.00 1.69 C ATOM 167 O PRO A 12 1.877 3.663 -10.985 1.00 2.14 O ATOM 168 CB PRO A 12 2.946 5.464 -13.433 1.00 2.45 C ATOM 169 CG PRO A 12 4.219 6.246 -13.830 1.00 3.15 C ATOM 170 CD PRO A 12 4.460 7.286 -12.727 1.00 2.83 C ATOM 0 HA PRO A 12 1.736 6.058 -11.686 1.00 1.85 H new ATOM 0 HB2 PRO A 12 3.061 4.402 -13.649 1.00 2.45 H new ATOM 0 HB3 PRO A 12 2.084 5.813 -14.002 1.00 2.45 H new ATOM 0 HG2 PRO A 12 5.073 5.575 -13.922 1.00 3.15 H new ATOM 0 HG3 PRO A 12 4.089 6.731 -14.797 1.00 3.15 H new ATOM 0 HD2 PRO A 12 5.523 7.430 -12.535 1.00 2.83 H new ATOM 0 HD3 PRO A 12 4.050 8.260 -12.996 1.00 2.83 H new ATOM 178 N TYR A 13 3.998 4.129 -10.595 1.00 1.68 N ATOM 179 CA TYR A 13 4.215 2.857 -9.839 1.00 1.66 C ATOM 180 C TYR A 13 3.467 2.847 -8.499 1.00 1.32 C ATOM 181 O TYR A 13 3.048 1.799 -8.048 1.00 1.64 O ATOM 182 CB TYR A 13 5.717 2.705 -9.583 1.00 2.10 C ATOM 183 CG TYR A 13 6.478 2.961 -10.891 1.00 1.91 C ATOM 184 CD1 TYR A 13 6.327 2.123 -11.979 1.00 2.69 C ATOM 185 CD2 TYR A 13 7.283 4.075 -11.016 1.00 2.75 C ATOM 186 CE1 TYR A 13 6.966 2.402 -13.170 1.00 3.60 C ATOM 187 CE2 TYR A 13 7.918 4.352 -12.206 1.00 3.63 C ATOM 188 CZ TYR A 13 7.762 3.521 -13.291 1.00 3.88 C ATOM 189 OH TYR A 13 8.387 3.815 -14.482 1.00 5.19 O ATOM 0 H TYR A 13 4.806 4.751 -10.635 1.00 1.68 H new ATOM 0 HA TYR A 13 3.828 2.029 -10.433 1.00 1.66 H new ATOM 0 HB2 TYR A 13 6.041 3.408 -8.816 1.00 2.10 H new ATOM 0 HB3 TYR A 13 5.936 1.704 -9.211 1.00 2.10 H new ATOM 0 HD1 TYR A 13 5.705 1.244 -11.897 1.00 2.69 H new ATOM 0 HD2 TYR A 13 7.416 4.736 -10.172 1.00 2.75 H new ATOM 0 HE1 TYR A 13 6.842 1.739 -14.013 1.00 3.60 H new ATOM 0 HE2 TYR A 13 8.543 5.229 -12.288 1.00 3.63 H new ATOM 0 HH TYR A 13 8.906 4.641 -14.384 1.00 5.19 H new ATOM 199 N CYS A 14 3.288 3.987 -7.883 1.00 0.96 N ATOM 200 CA CYS A 14 2.550 3.966 -6.582 1.00 0.84 C ATOM 201 C CYS A 14 1.068 3.989 -6.917 1.00 0.69 C ATOM 202 O CYS A 14 0.261 3.487 -6.173 1.00 0.75 O ATOM 203 CB CYS A 14 2.884 5.184 -5.728 1.00 0.95 C ATOM 204 SG CYS A 14 4.556 5.847 -5.867 1.00 1.94 S ATOM 0 H CYS A 14 3.606 4.900 -8.207 1.00 0.96 H new ATOM 0 HA CYS A 14 2.832 3.079 -6.014 1.00 0.84 H new ATOM 0 HB2 CYS A 14 2.182 5.979 -5.982 1.00 0.95 H new ATOM 0 HB3 CYS A 14 2.708 4.925 -4.684 1.00 0.95 H new ATOM 0 HG CYS A 14 5.078 5.475 -6.998 1.00 1.94 H new ATOM 210 N VAL A 15 0.749 4.617 -8.025 1.00 0.72 N ATOM 211 CA VAL A 15 -0.678 4.673 -8.468 1.00 0.80 C ATOM 212 C VAL A 15 -1.274 3.257 -8.445 1.00 0.74 C ATOM 213 O VAL A 15 -2.344 3.035 -7.912 1.00 0.89 O ATOM 214 CB VAL A 15 -0.754 5.235 -9.901 1.00 1.00 C ATOM 215 CG1 VAL A 15 -2.225 5.377 -10.322 1.00 1.24 C ATOM 216 CG2 VAL A 15 -0.086 6.617 -9.948 1.00 1.10 C ATOM 0 H VAL A 15 1.413 5.090 -8.638 1.00 0.72 H new ATOM 0 HA VAL A 15 -1.241 5.320 -7.795 1.00 0.80 H new ATOM 0 HB VAL A 15 -0.241 4.554 -10.580 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -2.277 5.775 -11.336 1.00 1.24 H new ATOM 0 HG12 VAL A 15 -2.708 4.401 -10.290 1.00 1.24 H new ATOM 0 HG13 VAL A 15 -2.735 6.057 -9.639 1.00 1.24 H new ATOM 0 HG21 VAL A 15 -0.140 7.013 -10.962 1.00 1.10 H new ATOM 0 HG22 VAL A 15 -0.601 7.293 -9.266 1.00 1.10 H new ATOM 0 HG23 VAL A 15 0.958 6.527 -9.649 1.00 1.10 H new ATOM 226 N ARG A 16 -0.565 2.333 -9.050 1.00 0.68 N ATOM 227 CA ARG A 16 -1.066 0.924 -9.077 1.00 0.65 C ATOM 228 C ARG A 16 -1.262 0.384 -7.661 1.00 0.57 C ATOM 229 O ARG A 16 -2.317 -0.136 -7.350 1.00 0.57 O ATOM 230 CB ARG A 16 -0.086 0.026 -9.852 1.00 0.77 C ATOM 231 CG ARG A 16 0.002 0.441 -11.336 1.00 1.28 C ATOM 232 CD ARG A 16 -1.284 0.085 -12.108 1.00 1.47 C ATOM 233 NE ARG A 16 -2.402 0.976 -11.664 1.00 2.00 N ATOM 234 CZ ARG A 16 -3.538 0.465 -11.249 1.00 2.02 C ATOM 235 NH1 ARG A 16 -3.526 -0.621 -10.538 1.00 2.74 N ATOM 236 NH2 ARG A 16 -4.641 1.068 -11.549 1.00 2.86 N ATOM 0 H ARG A 16 0.326 2.491 -9.520 1.00 0.68 H new ATOM 0 HA ARG A 16 -2.032 0.918 -9.582 1.00 0.65 H new ATOM 0 HB2 ARG A 16 0.903 0.085 -9.397 1.00 0.77 H new ATOM 0 HB3 ARG A 16 -0.408 -1.013 -9.781 1.00 0.77 H new ATOM 0 HG2 ARG A 16 0.181 1.514 -11.403 1.00 1.28 H new ATOM 0 HG3 ARG A 16 0.854 -0.054 -11.802 1.00 1.28 H new ATOM 0 HD2 ARG A 16 -1.120 0.198 -13.180 1.00 1.47 H new ATOM 0 HD3 ARG A 16 -1.547 -0.958 -11.934 1.00 1.47 H new ATOM 0 HE ARG A 16 -2.280 1.989 -11.684 1.00 2.00 H new ATOM 0 HH11 ARG A 16 -2.640 -1.069 -10.307 1.00 2.74 H new ATOM 0 HH12 ARG A 16 -4.403 -1.026 -10.211 1.00 2.74 H new ATOM 0 HH21 ARG A 16 -4.620 1.926 -12.100 1.00 2.86 H new ATOM 0 HH22 ARG A 16 -5.533 0.686 -11.235 1.00 2.86 H new ATOM 250 N ALA A 17 -0.249 0.483 -6.838 1.00 0.58 N ATOM 251 CA ALA A 17 -0.422 -0.015 -5.440 1.00 0.55 C ATOM 252 C ALA A 17 -1.670 0.652 -4.859 1.00 0.53 C ATOM 253 O ALA A 17 -2.519 -0.012 -4.307 1.00 0.55 O ATOM 254 CB ALA A 17 0.804 0.339 -4.594 1.00 0.63 C ATOM 0 H ALA A 17 0.665 0.875 -7.064 1.00 0.58 H new ATOM 0 HA ALA A 17 -0.531 -1.100 -5.436 1.00 0.55 H new ATOM 0 HB1 ALA A 17 0.664 -0.030 -3.578 1.00 0.63 H new ATOM 0 HB2 ALA A 17 1.691 -0.122 -5.028 1.00 0.63 H new ATOM 0 HB3 ALA A 17 0.931 1.421 -4.573 1.00 0.63 H new ATOM 260 N LYS A 18 -1.712 1.962 -4.980 1.00 0.54 N ATOM 261 CA LYS A 18 -2.883 2.745 -4.488 1.00 0.58 C ATOM 262 C LYS A 18 -4.174 2.105 -5.009 1.00 0.55 C ATOM 263 O LYS A 18 -5.029 1.751 -4.242 1.00 0.60 O ATOM 264 CB LYS A 18 -2.770 4.191 -5.014 1.00 0.64 C ATOM 265 CG LYS A 18 -3.409 5.203 -4.036 1.00 1.28 C ATOM 266 CD LYS A 18 -4.897 4.899 -3.759 1.00 2.21 C ATOM 267 CE LYS A 18 -5.739 4.955 -5.041 1.00 1.53 C ATOM 268 NZ LYS A 18 -7.177 4.789 -4.694 1.00 1.69 N ATOM 0 H LYS A 18 -0.973 2.523 -5.404 1.00 0.54 H new ATOM 0 HA LYS A 18 -2.900 2.751 -3.398 1.00 0.58 H new ATOM 0 HB2 LYS A 18 -1.720 4.443 -5.165 1.00 0.64 H new ATOM 0 HB3 LYS A 18 -3.259 4.265 -5.986 1.00 0.64 H new ATOM 0 HG2 LYS A 18 -2.858 5.192 -3.096 1.00 1.28 H new ATOM 0 HG3 LYS A 18 -3.317 6.208 -4.447 1.00 1.28 H new ATOM 0 HD2 LYS A 18 -4.988 3.911 -3.307 1.00 2.21 H new ATOM 0 HD3 LYS A 18 -5.286 5.617 -3.037 1.00 2.21 H new ATOM 0 HE2 LYS A 18 -5.584 5.906 -5.550 1.00 1.53 H new ATOM 0 HE3 LYS A 18 -5.426 4.170 -5.729 1.00 1.53 H new ATOM 0 HZ1 LYS A 18 -7.568 3.977 -5.213 1.00 1.69 H new ATOM 0 HZ2 LYS A 18 -7.271 4.623 -3.672 1.00 1.69 H new ATOM 0 HZ3 LYS A 18 -7.699 5.650 -4.954 1.00 1.69 H new ATOM 282 N ASP A 19 -4.306 2.009 -6.309 1.00 0.56 N ATOM 283 CA ASP A 19 -5.543 1.386 -6.896 1.00 0.58 C ATOM 284 C ASP A 19 -5.815 0.016 -6.271 1.00 0.56 C ATOM 285 O ASP A 19 -6.919 -0.257 -5.854 1.00 0.57 O ATOM 286 CB ASP A 19 -5.377 1.229 -8.413 1.00 0.65 C ATOM 287 CG ASP A 19 -6.500 0.348 -8.989 1.00 1.67 C ATOM 288 OD1 ASP A 19 -7.623 0.510 -8.533 1.00 2.63 O ATOM 289 OD2 ASP A 19 -6.164 -0.426 -9.866 1.00 2.49 O ATOM 0 H ASP A 19 -3.618 2.332 -6.989 1.00 0.56 H new ATOM 0 HA ASP A 19 -6.388 2.041 -6.683 1.00 0.58 H new ATOM 0 HB2 ASP A 19 -5.394 2.209 -8.890 1.00 0.65 H new ATOM 0 HB3 ASP A 19 -4.407 0.784 -8.635 1.00 0.65 H new ATOM 294 N LEU A 20 -4.815 -0.826 -6.283 1.00 0.56 N ATOM 295 CA LEU A 20 -4.969 -2.184 -5.684 1.00 0.54 C ATOM 296 C LEU A 20 -5.496 -2.044 -4.262 1.00 0.56 C ATOM 297 O LEU A 20 -6.596 -2.471 -3.962 1.00 0.66 O ATOM 298 CB LEU A 20 -3.596 -2.885 -5.686 1.00 0.56 C ATOM 299 CG LEU A 20 -3.597 -4.177 -4.833 1.00 0.63 C ATOM 300 CD1 LEU A 20 -4.743 -5.106 -5.270 1.00 0.86 C ATOM 301 CD2 LEU A 20 -2.253 -4.899 -5.036 1.00 0.59 C ATOM 0 H LEU A 20 -3.897 -0.631 -6.683 1.00 0.56 H new ATOM 0 HA LEU A 20 -5.675 -2.780 -6.262 1.00 0.54 H new ATOM 0 HB2 LEU A 20 -3.316 -3.129 -6.711 1.00 0.56 H new ATOM 0 HB3 LEU A 20 -2.840 -2.200 -5.303 1.00 0.56 H new ATOM 0 HG LEU A 20 -3.737 -3.918 -3.783 1.00 0.63 H new ATOM 0 HD11 LEU A 20 -4.731 -6.010 -4.661 1.00 0.86 H new ATOM 0 HD12 LEU A 20 -5.696 -4.594 -5.140 1.00 0.86 H new ATOM 0 HD13 LEU A 20 -4.615 -5.373 -6.319 1.00 0.86 H new ATOM 0 HD21 LEU A 20 -2.237 -5.812 -4.441 1.00 0.59 H new ATOM 0 HD22 LEU A 20 -2.130 -5.150 -6.090 1.00 0.59 H new ATOM 0 HD23 LEU A 20 -1.438 -4.247 -4.721 1.00 0.59 H new ATOM 313 N ALA A 21 -4.708 -1.430 -3.425 1.00 0.54 N ATOM 314 CA ALA A 21 -5.129 -1.238 -2.008 1.00 0.60 C ATOM 315 C ALA A 21 -6.553 -0.699 -1.981 1.00 0.60 C ATOM 316 O ALA A 21 -7.392 -1.207 -1.274 1.00 0.63 O ATOM 317 CB ALA A 21 -4.183 -0.248 -1.327 1.00 0.66 C ATOM 0 H ALA A 21 -3.790 -1.052 -3.660 1.00 0.54 H new ATOM 0 HA ALA A 21 -5.092 -2.189 -1.477 1.00 0.60 H new ATOM 0 HB1 ALA A 21 -4.489 -0.106 -0.291 1.00 0.66 H new ATOM 0 HB2 ALA A 21 -3.166 -0.639 -1.355 1.00 0.66 H new ATOM 0 HB3 ALA A 21 -4.219 0.708 -1.850 1.00 0.66 H new ATOM 323 N GLU A 22 -6.776 0.317 -2.769 1.00 0.59 N ATOM 324 CA GLU A 22 -8.128 0.937 -2.865 1.00 0.61 C ATOM 325 C GLU A 22 -9.166 -0.115 -3.230 1.00 0.59 C ATOM 326 O GLU A 22 -10.265 -0.120 -2.723 1.00 0.67 O ATOM 327 CB GLU A 22 -8.114 2.001 -3.960 1.00 0.66 C ATOM 328 CG GLU A 22 -9.486 2.685 -4.038 1.00 0.68 C ATOM 329 CD GLU A 22 -9.624 3.421 -5.370 1.00 1.07 C ATOM 330 OE1 GLU A 22 -9.716 2.729 -6.367 1.00 2.63 O ATOM 331 OE2 GLU A 22 -9.565 4.632 -5.320 1.00 1.45 O ATOM 0 H GLU A 22 -6.067 0.751 -3.360 1.00 0.59 H new ATOM 0 HA GLU A 22 -8.381 1.380 -1.902 1.00 0.61 H new ATOM 0 HB2 GLU A 22 -7.340 2.740 -3.752 1.00 0.66 H new ATOM 0 HB3 GLU A 22 -7.870 1.545 -4.920 1.00 0.66 H new ATOM 0 HG2 GLU A 22 -10.278 1.943 -3.939 1.00 0.68 H new ATOM 0 HG3 GLU A 22 -9.600 3.386 -3.211 1.00 0.68 H new ATOM 338 N LYS A 23 -8.805 -0.961 -4.139 1.00 0.62 N ATOM 339 CA LYS A 23 -9.758 -2.011 -4.562 1.00 0.67 C ATOM 340 C LYS A 23 -10.027 -2.911 -3.382 1.00 0.64 C ATOM 341 O LYS A 23 -11.159 -3.074 -3.009 1.00 0.71 O ATOM 342 CB LYS A 23 -9.157 -2.773 -5.745 1.00 0.81 C ATOM 343 CG LYS A 23 -10.274 -3.173 -6.720 1.00 1.35 C ATOM 344 CD LYS A 23 -11.062 -1.944 -7.243 1.00 2.72 C ATOM 345 CE LYS A 23 -10.122 -0.828 -7.742 1.00 4.48 C ATOM 346 NZ LYS A 23 -9.602 0.009 -6.619 1.00 5.94 N ATOM 0 H LYS A 23 -7.898 -0.973 -4.606 1.00 0.62 H new ATOM 0 HA LYS A 23 -10.707 -1.585 -4.888 1.00 0.67 H new ATOM 0 HB2 LYS A 23 -8.421 -2.152 -6.255 1.00 0.81 H new ATOM 0 HB3 LYS A 23 -8.634 -3.661 -5.391 1.00 0.81 H new ATOM 0 HG2 LYS A 23 -9.842 -3.712 -7.564 1.00 1.35 H new ATOM 0 HG3 LYS A 23 -10.961 -3.858 -6.222 1.00 1.35 H new ATOM 0 HD2 LYS A 23 -11.721 -2.254 -8.054 1.00 2.72 H new ATOM 0 HD3 LYS A 23 -11.697 -1.555 -6.447 1.00 2.72 H new ATOM 0 HE2 LYS A 23 -9.285 -1.273 -8.280 1.00 4.48 H new ATOM 0 HE3 LYS A 23 -10.656 -0.194 -8.450 1.00 4.48 H new ATOM 0 HZ1 LYS A 23 -9.570 1.006 -6.915 1.00 5.94 H new ATOM 0 HZ2 LYS A 23 -10.229 -0.088 -5.795 1.00 5.94 H new ATOM 0 HZ3 LYS A 23 -8.645 -0.307 -6.365 1.00 5.94 H new ATOM 360 N LEU A 24 -8.996 -3.448 -2.799 1.00 0.63 N ATOM 361 CA LEU A 24 -9.237 -4.309 -1.611 1.00 0.66 C ATOM 362 C LEU A 24 -10.165 -3.492 -0.707 1.00 0.66 C ATOM 363 O LEU A 24 -11.154 -3.980 -0.215 1.00 0.80 O ATOM 364 CB LEU A 24 -7.909 -4.607 -0.903 1.00 0.70 C ATOM 365 CG LEU A 24 -6.862 -5.120 -1.904 1.00 0.79 C ATOM 366 CD1 LEU A 24 -5.539 -5.300 -1.163 1.00 0.91 C ATOM 367 CD2 LEU A 24 -7.292 -6.476 -2.483 1.00 1.04 C ATOM 0 H LEU A 24 -8.023 -3.334 -3.082 1.00 0.63 H new ATOM 0 HA LEU A 24 -9.678 -5.270 -1.875 1.00 0.66 H new ATOM 0 HB2 LEU A 24 -7.541 -3.704 -0.415 1.00 0.70 H new ATOM 0 HB3 LEU A 24 -8.067 -5.350 -0.121 1.00 0.70 H new ATOM 0 HG LEU A 24 -6.760 -4.404 -2.720 1.00 0.79 H new ATOM 0 HD11 LEU A 24 -4.780 -5.664 -1.856 1.00 0.91 H new ATOM 0 HD12 LEU A 24 -5.222 -4.344 -0.747 1.00 0.91 H new ATOM 0 HD13 LEU A 24 -5.669 -6.021 -0.356 1.00 0.91 H new ATOM 0 HD21 LEU A 24 -6.539 -6.825 -3.190 1.00 1.04 H new ATOM 0 HD22 LEU A 24 -7.394 -7.201 -1.675 1.00 1.04 H new ATOM 0 HD23 LEU A 24 -8.248 -6.366 -2.995 1.00 1.04 H new ATOM 379 N SER A 25 -9.800 -2.251 -0.520 1.00 0.62 N ATOM 380 CA SER A 25 -10.629 -1.322 0.308 1.00 0.69 C ATOM 381 C SER A 25 -12.111 -1.412 -0.088 1.00 0.79 C ATOM 382 O SER A 25 -12.965 -1.524 0.761 1.00 1.01 O ATOM 383 CB SER A 25 -10.122 0.117 0.073 1.00 0.77 C ATOM 384 OG SER A 25 -9.579 0.579 1.305 1.00 1.10 O ATOM 0 H SER A 25 -8.954 -1.836 -0.909 1.00 0.62 H new ATOM 0 HA SER A 25 -10.540 -1.597 1.359 1.00 0.69 H new ATOM 0 HB2 SER A 25 -9.365 0.135 -0.712 1.00 0.77 H new ATOM 0 HB3 SER A 25 -10.936 0.763 -0.255 1.00 0.77 H new ATOM 0 HG SER A 25 -9.491 -0.174 1.926 1.00 1.10 H new ATOM 390 N ASN A 26 -12.377 -1.359 -1.364 1.00 0.74 N ATOM 391 CA ASN A 26 -13.798 -1.421 -1.827 1.00 0.84 C ATOM 392 C ASN A 26 -14.384 -2.839 -1.713 1.00 0.82 C ATOM 393 O ASN A 26 -15.532 -2.995 -1.357 1.00 1.43 O ATOM 394 CB ASN A 26 -13.852 -0.954 -3.289 1.00 1.04 C ATOM 395 CG ASN A 26 -15.296 -1.013 -3.797 1.00 1.23 C ATOM 396 OD1 ASN A 26 -16.047 -0.064 -3.688 1.00 1.49 O ATOM 397 ND2 ASN A 26 -15.732 -2.108 -4.341 1.00 2.13 N ATOM 0 H ASN A 26 -11.680 -1.276 -2.104 1.00 0.74 H new ATOM 0 HA ASN A 26 -14.398 -0.773 -1.188 1.00 0.84 H new ATOM 0 HB2 ASN A 26 -13.469 0.063 -3.370 1.00 1.04 H new ATOM 0 HB3 ASN A 26 -13.213 -1.585 -3.906 1.00 1.04 H new ATOM 0 HD21 ASN A 26 -16.695 -2.165 -4.671 1.00 2.13 H new ATOM 0 HD22 ASN A 26 -15.111 -2.911 -4.438 1.00 2.13 H new ATOM 404 N GLU A 27 -13.577 -3.835 -1.945 1.00 1.17 N ATOM 405 CA GLU A 27 -14.084 -5.241 -1.883 1.00 1.19 C ATOM 406 C GLU A 27 -14.356 -5.672 -0.438 1.00 1.24 C ATOM 407 O GLU A 27 -15.258 -6.447 -0.186 1.00 1.40 O ATOM 408 CB GLU A 27 -13.035 -6.205 -2.478 1.00 1.30 C ATOM 409 CG GLU A 27 -12.544 -5.762 -3.874 1.00 1.69 C ATOM 410 CD GLU A 27 -13.609 -4.968 -4.639 1.00 3.08 C ATOM 411 OE1 GLU A 27 -14.526 -5.602 -5.106 1.00 4.24 O ATOM 412 OE2 GLU A 27 -13.445 -3.760 -4.709 1.00 4.10 O ATOM 0 H GLU A 27 -12.588 -3.741 -2.175 1.00 1.17 H new ATOM 0 HA GLU A 27 -15.012 -5.279 -2.453 1.00 1.19 H new ATOM 0 HB2 GLU A 27 -12.183 -6.271 -1.801 1.00 1.30 H new ATOM 0 HB3 GLU A 27 -13.464 -7.204 -2.548 1.00 1.30 H new ATOM 0 HG2 GLU A 27 -11.647 -5.152 -3.765 1.00 1.69 H new ATOM 0 HG3 GLU A 27 -12.263 -6.641 -4.454 1.00 1.69 H new ATOM 419 N ARG A 28 -13.534 -5.228 0.466 1.00 1.22 N ATOM 420 CA ARG A 28 -13.732 -5.606 1.891 1.00 1.35 C ATOM 421 C ARG A 28 -13.544 -4.396 2.830 1.00 1.22 C ATOM 422 O ARG A 28 -12.441 -3.926 3.055 1.00 1.69 O ATOM 423 CB ARG A 28 -12.759 -6.751 2.200 1.00 1.59 C ATOM 424 CG ARG A 28 -11.342 -6.422 1.699 1.00 1.93 C ATOM 425 CD ARG A 28 -10.450 -7.652 1.895 1.00 1.48 C ATOM 426 NE ARG A 28 -10.435 -7.985 3.353 1.00 2.23 N ATOM 427 CZ ARG A 28 -10.858 -9.134 3.771 1.00 2.49 C ATOM 428 NH1 ARG A 28 -10.488 -10.213 3.149 1.00 2.80 N ATOM 429 NH2 ARG A 28 -11.643 -9.132 4.799 1.00 3.65 N ATOM 0 H ARG A 28 -12.735 -4.621 0.282 1.00 1.22 H new ATOM 0 HA ARG A 28 -14.755 -5.942 2.061 1.00 1.35 H new ATOM 0 HB2 ARG A 28 -12.735 -6.933 3.274 1.00 1.59 H new ATOM 0 HB3 ARG A 28 -13.111 -7.669 1.729 1.00 1.59 H new ATOM 0 HG2 ARG A 28 -11.370 -6.140 0.646 1.00 1.93 H new ATOM 0 HG3 ARG A 28 -10.937 -5.571 2.246 1.00 1.93 H new ATOM 0 HD2 ARG A 28 -10.829 -8.494 1.316 1.00 1.48 H new ATOM 0 HD3 ARG A 28 -9.439 -7.450 1.540 1.00 1.48 H new ATOM 0 HE ARG A 28 -10.088 -7.300 4.024 1.00 2.23 H new ATOM 0 HH11 ARG A 28 -9.870 -10.149 2.340 1.00 2.80 H new ATOM 0 HH12 ARG A 28 -10.815 -11.124 3.470 1.00 2.80 H new ATOM 0 HH21 ARG A 28 -11.901 -8.250 5.242 1.00 3.65 H new ATOM 0 HH22 ARG A 28 -12.004 -10.012 5.167 1.00 3.65 H new ATOM 443 N ASP A 29 -14.629 -4.006 3.458 1.00 1.72 N ATOM 444 CA ASP A 29 -14.630 -2.821 4.385 1.00 1.72 C ATOM 445 C ASP A 29 -13.712 -2.967 5.611 1.00 1.50 C ATOM 446 O ASP A 29 -13.792 -2.171 6.531 1.00 1.66 O ATOM 447 CB ASP A 29 -16.059 -2.642 4.899 1.00 2.35 C ATOM 448 CG ASP A 29 -16.982 -2.225 3.763 1.00 3.72 C ATOM 449 OD1 ASP A 29 -17.062 -1.027 3.551 1.00 4.70 O ATOM 450 OD2 ASP A 29 -17.573 -3.123 3.185 1.00 4.40 O ATOM 0 H ASP A 29 -15.534 -4.467 3.367 1.00 1.72 H new ATOM 0 HA ASP A 29 -14.256 -1.972 3.812 1.00 1.72 H new ATOM 0 HB2 ASP A 29 -16.413 -3.574 5.341 1.00 2.35 H new ATOM 0 HB3 ASP A 29 -16.078 -1.889 5.687 1.00 2.35 H new ATOM 455 N ASP A 30 -12.859 -3.952 5.609 1.00 1.48 N ATOM 456 CA ASP A 30 -11.932 -4.139 6.768 1.00 1.49 C ATOM 457 C ASP A 30 -10.499 -3.840 6.316 1.00 1.19 C ATOM 458 O ASP A 30 -9.556 -3.905 7.104 1.00 1.42 O ATOM 459 CB ASP A 30 -12.028 -5.587 7.264 1.00 1.93 C ATOM 460 CG ASP A 30 -11.364 -6.537 6.270 1.00 2.61 C ATOM 461 OD1 ASP A 30 -11.559 -6.325 5.093 1.00 3.64 O ATOM 462 OD2 ASP A 30 -10.733 -7.463 6.733 1.00 2.89 O ATOM 0 H ASP A 30 -12.761 -4.636 4.859 1.00 1.48 H new ATOM 0 HA ASP A 30 -12.206 -3.462 7.577 1.00 1.49 H new ATOM 0 HB2 ASP A 30 -11.548 -5.677 8.238 1.00 1.93 H new ATOM 0 HB3 ASP A 30 -13.074 -5.863 7.398 1.00 1.93 H new ATOM 467 N PHE A 31 -10.355 -3.531 5.053 1.00 0.92 N ATOM 468 CA PHE A 31 -9.000 -3.215 4.522 1.00 0.76 C ATOM 469 C PHE A 31 -8.892 -1.725 4.192 1.00 0.70 C ATOM 470 O PHE A 31 -9.581 -1.224 3.324 1.00 0.83 O ATOM 471 CB PHE A 31 -8.740 -4.024 3.252 1.00 0.66 C ATOM 472 CG PHE A 31 -7.348 -3.648 2.742 1.00 0.57 C ATOM 473 CD1 PHE A 31 -6.220 -4.154 3.356 1.00 0.84 C ATOM 474 CD2 PHE A 31 -7.203 -2.721 1.731 1.00 0.86 C ATOM 475 CE1 PHE A 31 -4.962 -3.730 2.969 1.00 1.15 C ATOM 476 CE2 PHE A 31 -5.953 -2.301 1.342 1.00 0.94 C ATOM 477 CZ PHE A 31 -4.832 -2.801 1.958 1.00 1.04 C ATOM 0 H PHE A 31 -11.113 -3.485 4.372 1.00 0.92 H new ATOM 0 HA PHE A 31 -8.263 -3.471 5.283 1.00 0.76 H new ATOM 0 HB2 PHE A 31 -8.796 -5.092 3.460 1.00 0.66 H new ATOM 0 HB3 PHE A 31 -9.496 -3.806 2.498 1.00 0.66 H new ATOM 0 HD1 PHE A 31 -6.321 -4.886 4.144 1.00 0.84 H new ATOM 0 HD2 PHE A 31 -8.079 -2.322 1.241 1.00 0.86 H new ATOM 0 HE1 PHE A 31 -4.083 -4.125 3.457 1.00 1.15 H new ATOM 0 HE2 PHE A 31 -5.852 -1.575 0.549 1.00 0.94 H new ATOM 0 HZ PHE A 31 -3.851 -2.468 1.652 1.00 1.04 H new ATOM 487 N GLN A 32 -8.017 -1.045 4.880 1.00 0.76 N ATOM 488 CA GLN A 32 -7.832 0.415 4.637 1.00 0.80 C ATOM 489 C GLN A 32 -6.368 0.680 4.247 1.00 0.88 C ATOM 490 O GLN A 32 -5.514 -0.195 4.371 1.00 1.08 O ATOM 491 CB GLN A 32 -8.191 1.169 5.931 1.00 0.91 C ATOM 492 CG GLN A 32 -9.630 0.814 6.369 1.00 1.30 C ATOM 493 CD GLN A 32 -9.881 1.323 7.797 1.00 2.24 C ATOM 494 OE1 GLN A 32 -9.103 1.069 8.692 1.00 3.13 O ATOM 495 NE2 GLN A 32 -10.951 2.017 8.060 1.00 3.07 N ATOM 0 H GLN A 32 -7.418 -1.440 5.605 1.00 0.76 H new ATOM 0 HA GLN A 32 -8.475 0.758 3.826 1.00 0.80 H new ATOM 0 HB2 GLN A 32 -7.487 0.908 6.721 1.00 0.91 H new ATOM 0 HB3 GLN A 32 -8.106 2.244 5.771 1.00 0.91 H new ATOM 0 HG2 GLN A 32 -10.349 1.261 5.682 1.00 1.30 H new ATOM 0 HG3 GLN A 32 -9.777 -0.265 6.327 1.00 1.30 H new ATOM 0 HE21 GLN A 32 -11.612 2.237 7.315 1.00 3.07 H new ATOM 0 HE22 GLN A 32 -11.128 2.341 9.011 1.00 3.07 H new ATOM 504 N TYR A 33 -6.110 1.867 3.766 1.00 1.01 N ATOM 505 CA TYR A 33 -4.720 2.223 3.359 1.00 1.09 C ATOM 506 C TYR A 33 -4.567 3.753 3.270 1.00 0.91 C ATOM 507 O TYR A 33 -5.553 4.471 3.324 1.00 0.93 O ATOM 508 CB TYR A 33 -4.433 1.599 1.986 1.00 1.28 C ATOM 509 CG TYR A 33 -5.227 2.347 0.913 1.00 1.29 C ATOM 510 CD1 TYR A 33 -6.568 2.087 0.694 1.00 1.47 C ATOM 511 CD2 TYR A 33 -4.622 3.365 0.209 1.00 1.23 C ATOM 512 CE1 TYR A 33 -7.287 2.838 -0.211 1.00 1.57 C ATOM 513 CE2 TYR A 33 -5.337 4.114 -0.693 1.00 1.35 C ATOM 514 CZ TYR A 33 -6.675 3.857 -0.917 1.00 1.51 C ATOM 515 OH TYR A 33 -7.381 4.579 -1.863 1.00 1.70 O ATOM 0 H TYR A 33 -6.802 2.605 3.637 1.00 1.01 H new ATOM 0 HA TYR A 33 -4.016 1.843 4.100 1.00 1.09 H new ATOM 0 HB2 TYR A 33 -3.366 1.650 1.767 1.00 1.28 H new ATOM 0 HB3 TYR A 33 -4.708 0.544 1.989 1.00 1.28 H new ATOM 0 HD1 TYR A 33 -7.055 1.290 1.236 1.00 1.47 H new ATOM 0 HD2 TYR A 33 -3.575 3.576 0.368 1.00 1.23 H new ATOM 0 HE1 TYR A 33 -8.335 2.629 -0.370 1.00 1.57 H new ATOM 0 HE2 TYR A 33 -4.848 4.912 -1.232 1.00 1.35 H new ATOM 0 HH TYR A 33 -7.260 5.538 -1.700 1.00 1.70 H new ATOM 525 N GLN A 34 -3.341 4.215 3.145 1.00 0.79 N ATOM 526 CA GLN A 34 -3.079 5.692 3.016 1.00 0.68 C ATOM 527 C GLN A 34 -1.908 5.926 2.043 1.00 0.59 C ATOM 528 O GLN A 34 -1.028 5.086 1.935 1.00 0.60 O ATOM 529 CB GLN A 34 -2.707 6.269 4.395 1.00 0.79 C ATOM 530 CG GLN A 34 -3.431 7.607 4.642 1.00 1.74 C ATOM 531 CD GLN A 34 -3.064 8.614 3.546 1.00 3.61 C ATOM 532 OE1 GLN A 34 -3.756 8.751 2.558 1.00 4.93 O ATOM 533 NE2 GLN A 34 -1.970 9.302 3.652 1.00 4.76 N ATOM 0 H GLN A 34 -2.506 3.630 3.127 1.00 0.79 H new ATOM 0 HA GLN A 34 -3.975 6.184 2.638 1.00 0.68 H new ATOM 0 HB2 GLN A 34 -2.973 5.557 5.176 1.00 0.79 H new ATOM 0 HB3 GLN A 34 -1.629 6.418 4.453 1.00 0.79 H new ATOM 0 HG2 GLN A 34 -4.509 7.449 4.655 1.00 1.74 H new ATOM 0 HG3 GLN A 34 -3.155 8.004 5.619 1.00 1.74 H new ATOM 0 HE21 GLN A 34 -1.379 9.197 4.477 1.00 4.76 H new ATOM 0 HE22 GLN A 34 -1.700 9.949 2.911 1.00 4.76 H new ATOM 542 N TYR A 35 -1.887 7.058 1.383 1.00 0.59 N ATOM 543 CA TYR A 35 -0.763 7.333 0.439 1.00 0.58 C ATOM 544 C TYR A 35 -0.002 8.571 0.908 1.00 0.56 C ATOM 545 O TYR A 35 -0.608 9.548 1.321 1.00 0.71 O ATOM 546 CB TYR A 35 -1.328 7.564 -0.972 1.00 0.68 C ATOM 547 CG TYR A 35 -0.193 7.868 -1.968 1.00 0.72 C ATOM 548 CD1 TYR A 35 0.939 7.082 -1.997 1.00 1.22 C ATOM 549 CD2 TYR A 35 -0.299 8.910 -2.874 1.00 1.23 C ATOM 550 CE1 TYR A 35 1.941 7.320 -2.907 1.00 1.24 C ATOM 551 CE2 TYR A 35 0.712 9.147 -3.791 1.00 1.39 C ATOM 552 CZ TYR A 35 1.839 8.347 -3.810 1.00 0.99 C ATOM 553 OH TYR A 35 2.847 8.546 -4.735 1.00 1.22 O ATOM 0 H TYR A 35 -2.590 7.794 1.456 1.00 0.59 H new ATOM 0 HA TYR A 35 -0.082 6.482 0.415 1.00 0.58 H new ATOM 0 HB2 TYR A 35 -1.878 6.681 -1.298 1.00 0.68 H new ATOM 0 HB3 TYR A 35 -2.036 8.393 -0.955 1.00 0.68 H new ATOM 0 HD1 TYR A 35 1.040 6.268 -1.295 1.00 1.22 H new ATOM 0 HD2 TYR A 35 -1.175 9.542 -2.866 1.00 1.23 H new ATOM 0 HE1 TYR A 35 2.819 6.691 -2.911 1.00 1.24 H new ATOM 0 HE2 TYR A 35 0.619 9.961 -4.495 1.00 1.39 H new ATOM 0 HH TYR A 35 2.910 9.500 -4.950 1.00 1.22 H new ATOM 563 N VAL A 36 1.299 8.478 0.878 1.00 0.51 N ATOM 564 CA VAL A 36 2.150 9.632 1.295 1.00 0.62 C ATOM 565 C VAL A 36 3.158 9.915 0.182 1.00 0.68 C ATOM 566 O VAL A 36 3.441 9.051 -0.628 1.00 0.83 O ATOM 567 CB VAL A 36 2.937 9.291 2.582 1.00 0.78 C ATOM 568 CG1 VAL A 36 3.275 10.579 3.347 1.00 1.36 C ATOM 569 CG2 VAL A 36 2.129 8.365 3.499 1.00 1.24 C ATOM 0 H VAL A 36 1.813 7.649 0.581 1.00 0.51 H new ATOM 0 HA VAL A 36 1.511 10.495 1.482 1.00 0.62 H new ATOM 0 HB VAL A 36 3.853 8.780 2.286 1.00 0.78 H new ATOM 0 HG11 VAL A 36 3.829 10.330 4.252 1.00 1.36 H new ATOM 0 HG12 VAL A 36 3.883 11.228 2.716 1.00 1.36 H new ATOM 0 HG13 VAL A 36 2.353 11.095 3.616 1.00 1.36 H new ATOM 0 HG21 VAL A 36 2.709 8.144 4.395 1.00 1.24 H new ATOM 0 HG22 VAL A 36 1.197 8.855 3.782 1.00 1.24 H new ATOM 0 HG23 VAL A 36 1.905 7.437 2.973 1.00 1.24 H new ATOM 579 N ASP A 37 3.686 11.103 0.174 1.00 0.69 N ATOM 580 CA ASP A 37 4.698 11.453 -0.861 1.00 0.81 C ATOM 581 C ASP A 37 6.003 11.661 -0.107 1.00 0.83 C ATOM 582 O ASP A 37 6.038 12.383 0.872 1.00 0.88 O ATOM 583 CB ASP A 37 4.299 12.745 -1.602 1.00 0.84 C ATOM 584 CG ASP A 37 5.262 13.032 -2.766 1.00 1.28 C ATOM 585 OD1 ASP A 37 6.447 12.852 -2.566 1.00 1.94 O ATOM 586 OD2 ASP A 37 4.758 13.481 -3.778 1.00 2.53 O ATOM 0 H ASP A 37 3.463 11.846 0.836 1.00 0.69 H new ATOM 0 HA ASP A 37 4.783 10.669 -1.614 1.00 0.81 H new ATOM 0 HB2 ASP A 37 3.282 12.651 -1.982 1.00 0.84 H new ATOM 0 HB3 ASP A 37 4.304 13.584 -0.906 1.00 0.84 H new ATOM 591 N ILE A 38 7.040 11.013 -0.558 1.00 0.92 N ATOM 592 CA ILE A 38 8.364 11.146 0.115 1.00 1.02 C ATOM 593 C ILE A 38 8.671 12.603 0.471 1.00 0.89 C ATOM 594 O ILE A 38 9.364 12.867 1.427 1.00 1.03 O ATOM 595 CB ILE A 38 9.456 10.566 -0.799 1.00 1.24 C ATOM 596 CG1 ILE A 38 9.378 11.158 -2.218 1.00 1.34 C ATOM 597 CG2 ILE A 38 9.271 9.050 -0.876 1.00 1.36 C ATOM 598 CD1 ILE A 38 10.331 12.349 -2.334 1.00 2.14 C ATOM 0 H ILE A 38 7.028 10.393 -1.368 1.00 0.92 H new ATOM 0 HA ILE A 38 8.338 10.588 1.051 1.00 1.02 H new ATOM 0 HB ILE A 38 10.430 10.820 -0.382 1.00 1.24 H new ATOM 0 HG12 ILE A 38 9.639 10.398 -2.954 1.00 1.34 H new ATOM 0 HG13 ILE A 38 8.358 11.474 -2.435 1.00 1.34 H new ATOM 0 HG21 ILE A 38 10.038 8.622 -1.521 1.00 1.36 H new ATOM 0 HG22 ILE A 38 9.357 8.622 0.123 1.00 1.36 H new ATOM 0 HG23 ILE A 38 8.286 8.824 -1.285 1.00 1.36 H new ATOM 0 HD11 ILE A 38 10.273 12.765 -3.340 1.00 2.14 H new ATOM 0 HD12 ILE A 38 10.049 13.112 -1.609 1.00 2.14 H new ATOM 0 HD13 ILE A 38 11.351 12.019 -2.136 1.00 2.14 H new ATOM 610 N ARG A 39 8.108 13.516 -0.275 1.00 0.82 N ATOM 611 CA ARG A 39 8.353 14.966 -0.012 1.00 0.88 C ATOM 612 C ARG A 39 7.608 15.402 1.254 1.00 1.03 C ATOM 613 O ARG A 39 8.215 15.884 2.187 1.00 1.70 O ATOM 614 CB ARG A 39 7.838 15.747 -1.234 1.00 1.38 C ATOM 615 CG ARG A 39 7.931 17.265 -1.004 1.00 1.92 C ATOM 616 CD ARG A 39 7.444 17.998 -2.267 1.00 2.65 C ATOM 617 NE ARG A 39 5.952 17.881 -2.385 1.00 4.12 N ATOM 618 CZ ARG A 39 5.442 17.082 -3.277 1.00 5.57 C ATOM 619 NH1 ARG A 39 5.531 17.402 -4.530 1.00 6.78 N ATOM 620 NH2 ARG A 39 4.887 15.985 -2.872 1.00 6.36 N ATOM 0 H ARG A 39 7.486 13.320 -1.059 1.00 0.82 H new ATOM 0 HA ARG A 39 9.415 15.159 0.143 1.00 0.88 H new ATOM 0 HB2 ARG A 39 8.419 15.474 -2.115 1.00 1.38 H new ATOM 0 HB3 ARG A 39 6.803 15.470 -1.436 1.00 1.38 H new ATOM 0 HG2 ARG A 39 7.325 17.553 -0.145 1.00 1.92 H new ATOM 0 HG3 ARG A 39 8.959 17.549 -0.778 1.00 1.92 H new ATOM 0 HD2 ARG A 39 7.732 19.048 -2.222 1.00 2.65 H new ATOM 0 HD3 ARG A 39 7.921 17.574 -3.150 1.00 2.65 H new ATOM 0 HE ARG A 39 5.343 18.423 -1.772 1.00 4.12 H new ATOM 0 HH11 ARG A 39 5.995 18.268 -4.803 1.00 6.78 H new ATOM 0 HH12 ARG A 39 5.137 16.788 -5.243 1.00 6.78 H new ATOM 0 HH21 ARG A 39 4.858 15.766 -1.876 1.00 6.36 H new ATOM 0 HH22 ARG A 39 4.479 15.340 -3.549 1.00 6.36 H new ATOM 634 N ALA A 40 6.305 15.240 1.219 1.00 1.01 N ATOM 635 CA ALA A 40 5.436 15.609 2.384 1.00 1.42 C ATOM 636 C ALA A 40 6.144 15.328 3.715 1.00 1.58 C ATOM 637 O ALA A 40 6.138 16.152 4.614 1.00 1.95 O ATOM 638 CB ALA A 40 4.154 14.777 2.306 1.00 1.63 C ATOM 0 H ALA A 40 5.799 14.861 0.418 1.00 1.01 H new ATOM 0 HA ALA A 40 5.213 16.675 2.340 1.00 1.42 H new ATOM 0 HB1 ALA A 40 3.505 15.029 3.145 1.00 1.63 H new ATOM 0 HB2 ALA A 40 3.637 14.992 1.371 1.00 1.63 H new ATOM 0 HB3 ALA A 40 4.405 13.717 2.347 1.00 1.63 H new ATOM 644 N GLU A 41 6.710 14.150 3.791 1.00 1.49 N ATOM 645 CA GLU A 41 7.438 13.740 5.029 1.00 2.00 C ATOM 646 C GLU A 41 8.898 14.232 4.994 1.00 1.91 C ATOM 647 O GLU A 41 9.393 14.751 5.973 1.00 2.15 O ATOM 648 CB GLU A 41 7.405 12.205 5.137 1.00 2.34 C ATOM 649 CG GLU A 41 5.966 11.725 5.410 1.00 2.56 C ATOM 650 CD GLU A 41 5.925 10.189 5.423 1.00 3.48 C ATOM 651 OE1 GLU A 41 6.242 9.634 4.387 1.00 3.99 O ATOM 652 OE2 GLU A 41 5.585 9.653 6.465 1.00 4.27 O ATOM 0 H GLU A 41 6.699 13.453 3.046 1.00 1.49 H new ATOM 0 HA GLU A 41 6.952 14.188 5.896 1.00 2.00 H new ATOM 0 HB2 GLU A 41 7.777 11.760 4.214 1.00 2.34 H new ATOM 0 HB3 GLU A 41 8.065 11.875 5.939 1.00 2.34 H new ATOM 0 HG2 GLU A 41 5.617 12.116 6.366 1.00 2.56 H new ATOM 0 HG3 GLU A 41 5.293 12.110 4.644 1.00 2.56 H new ATOM 659 N GLY A 42 9.561 14.049 3.879 1.00 1.84 N ATOM 660 CA GLY A 42 10.992 14.500 3.761 1.00 1.94 C ATOM 661 C GLY A 42 11.910 13.278 3.742 1.00 2.31 C ATOM 662 O GLY A 42 12.901 13.214 4.445 1.00 2.79 O ATOM 0 H GLY A 42 9.178 13.608 3.043 1.00 1.84 H new ATOM 0 HA2 GLY A 42 11.127 15.084 2.851 1.00 1.94 H new ATOM 0 HA3 GLY A 42 11.250 15.150 4.597 1.00 1.94 H new ATOM 666 N ILE A 43 11.569 12.348 2.906 1.00 2.13 N ATOM 667 CA ILE A 43 12.343 11.084 2.798 1.00 2.55 C ATOM 668 C ILE A 43 13.047 10.981 1.427 1.00 2.84 C ATOM 669 O ILE A 43 12.547 11.480 0.424 1.00 2.68 O ATOM 670 CB ILE A 43 11.318 9.945 2.966 1.00 2.15 C ATOM 671 CG1 ILE A 43 10.442 10.181 4.217 1.00 2.09 C ATOM 672 CG2 ILE A 43 12.050 8.617 3.144 1.00 2.60 C ATOM 673 CD1 ILE A 43 9.110 9.423 4.080 1.00 1.80 C ATOM 0 H ILE A 43 10.768 12.410 2.277 1.00 2.13 H new ATOM 0 HA ILE A 43 13.126 11.036 3.555 1.00 2.55 H new ATOM 0 HB ILE A 43 10.689 9.921 2.076 1.00 2.15 H new ATOM 0 HG12 ILE A 43 10.970 9.845 5.109 1.00 2.09 H new ATOM 0 HG13 ILE A 43 10.252 11.247 4.342 1.00 2.09 H new ATOM 0 HG21 ILE A 43 11.323 7.814 3.263 1.00 2.60 H new ATOM 0 HG22 ILE A 43 12.667 8.421 2.267 1.00 2.60 H new ATOM 0 HG23 ILE A 43 12.683 8.667 4.030 1.00 2.60 H new ATOM 0 HD11 ILE A 43 8.500 9.596 4.967 1.00 1.80 H new ATOM 0 HD12 ILE A 43 8.578 9.779 3.198 1.00 1.80 H new ATOM 0 HD13 ILE A 43 9.307 8.356 3.978 1.00 1.80 H new ATOM 685 N THR A 44 14.190 10.338 1.399 1.00 3.42 N ATOM 686 CA THR A 44 14.911 10.191 0.090 1.00 3.92 C ATOM 687 C THR A 44 15.055 8.707 -0.269 1.00 3.95 C ATOM 688 O THR A 44 14.182 8.123 -0.882 1.00 4.91 O ATOM 689 CB THR A 44 16.307 10.848 0.175 1.00 4.70 C ATOM 690 OG1 THR A 44 16.886 10.409 1.402 1.00 4.65 O ATOM 691 CG2 THR A 44 16.221 12.369 0.310 1.00 5.13 C ATOM 0 H THR A 44 14.649 9.916 2.206 1.00 3.42 H new ATOM 0 HA THR A 44 14.331 10.690 -0.687 1.00 3.92 H new ATOM 0 HB THR A 44 16.864 10.585 -0.724 1.00 4.70 H new ATOM 0 HG1 THR A 44 17.779 10.800 1.501 1.00 4.65 H new ATOM 0 HG21 THR A 44 17.226 12.787 0.366 1.00 5.13 H new ATOM 0 HG22 THR A 44 15.704 12.782 -0.556 1.00 5.13 H new ATOM 0 HG23 THR A 44 15.671 12.623 1.216 1.00 5.13 H new ATOM 699 N LYS A 45 16.154 8.151 0.121 1.00 3.06 N ATOM 700 CA LYS A 45 16.418 6.719 -0.155 1.00 3.03 C ATOM 701 C LYS A 45 17.041 6.118 1.090 1.00 2.99 C ATOM 702 O LYS A 45 16.545 5.157 1.608 1.00 2.67 O ATOM 703 CB LYS A 45 17.367 6.602 -1.364 1.00 3.30 C ATOM 704 CG LYS A 45 17.946 5.176 -1.480 1.00 3.67 C ATOM 705 CD LYS A 45 19.188 5.209 -2.391 1.00 4.07 C ATOM 706 CE LYS A 45 20.250 4.225 -1.881 1.00 4.48 C ATOM 707 NZ LYS A 45 20.639 4.552 -0.478 1.00 4.32 N ATOM 0 H LYS A 45 16.896 8.633 0.628 1.00 3.06 H new ATOM 0 HA LYS A 45 15.499 6.184 -0.396 1.00 3.03 H new ATOM 0 HB2 LYS A 45 16.830 6.855 -2.278 1.00 3.30 H new ATOM 0 HB3 LYS A 45 18.180 7.321 -1.263 1.00 3.30 H new ATOM 0 HG2 LYS A 45 18.213 4.797 -0.493 1.00 3.67 H new ATOM 0 HG3 LYS A 45 17.197 4.498 -1.890 1.00 3.67 H new ATOM 0 HD2 LYS A 45 18.905 4.952 -3.412 1.00 4.07 H new ATOM 0 HD3 LYS A 45 19.600 6.218 -2.418 1.00 4.07 H new ATOM 0 HE2 LYS A 45 19.863 3.207 -1.929 1.00 4.48 H new ATOM 0 HE3 LYS A 45 21.128 4.263 -2.526 1.00 4.48 H new ATOM 0 HZ1 LYS A 45 21.590 4.973 -0.471 1.00 4.32 H new ATOM 0 HZ2 LYS A 45 19.958 5.228 -0.078 1.00 4.32 H new ATOM 0 HZ3 LYS A 45 20.641 3.683 0.093 1.00 4.32 H new ATOM 721 N GLU A 46 18.118 6.707 1.544 1.00 3.37 N ATOM 722 CA GLU A 46 18.796 6.160 2.760 1.00 3.46 C ATOM 723 C GLU A 46 17.769 5.782 3.837 1.00 3.27 C ATOM 724 O GLU A 46 17.781 4.669 4.335 1.00 3.22 O ATOM 725 CB GLU A 46 19.781 7.201 3.333 1.00 3.73 C ATOM 726 CG GLU A 46 20.481 8.001 2.212 1.00 3.94 C ATOM 727 CD GLU A 46 20.805 7.107 1.015 1.00 4.72 C ATOM 728 OE1 GLU A 46 21.562 6.179 1.208 1.00 5.52 O ATOM 729 OE2 GLU A 46 20.235 7.365 -0.025 1.00 5.24 O ATOM 0 H GLU A 46 18.553 7.532 1.132 1.00 3.37 H new ATOM 0 HA GLU A 46 19.342 5.264 2.467 1.00 3.46 H new ATOM 0 HB2 GLU A 46 19.245 7.887 3.989 1.00 3.73 H new ATOM 0 HB3 GLU A 46 20.530 6.696 3.943 1.00 3.73 H new ATOM 0 HG2 GLU A 46 19.840 8.822 1.893 1.00 3.94 H new ATOM 0 HG3 GLU A 46 21.399 8.445 2.597 1.00 3.94 H new ATOM 736 N ASP A 47 16.879 6.696 4.141 1.00 3.20 N ATOM 737 CA ASP A 47 15.849 6.398 5.183 1.00 3.06 C ATOM 738 C ASP A 47 14.942 5.247 4.750 1.00 2.84 C ATOM 739 O ASP A 47 14.816 4.260 5.431 1.00 3.00 O ATOM 740 CB ASP A 47 14.959 7.619 5.417 1.00 2.90 C ATOM 741 CG ASP A 47 13.948 7.259 6.522 1.00 2.80 C ATOM 742 OD1 ASP A 47 14.399 6.856 7.583 1.00 3.24 O ATOM 743 OD2 ASP A 47 12.769 7.355 6.240 1.00 3.04 O ATOM 0 H ASP A 47 16.822 7.623 3.719 1.00 3.20 H new ATOM 0 HA ASP A 47 16.385 6.129 6.093 1.00 3.06 H new ATOM 0 HB2 ASP A 47 15.560 8.479 5.714 1.00 2.90 H new ATOM 0 HB3 ASP A 47 14.440 7.895 4.499 1.00 2.90 H new ATOM 748 N LEU A 48 14.354 5.393 3.599 1.00 2.56 N ATOM 749 CA LEU A 48 13.428 4.327 3.098 1.00 2.32 C ATOM 750 C LEU A 48 14.132 2.977 3.110 1.00 2.41 C ATOM 751 O LEU A 48 13.576 1.987 3.512 1.00 2.30 O ATOM 752 CB LEU A 48 12.987 4.695 1.675 1.00 2.24 C ATOM 753 CG LEU A 48 11.620 5.394 1.727 1.00 1.94 C ATOM 754 CD1 LEU A 48 11.325 6.057 0.380 1.00 1.90 C ATOM 755 CD2 LEU A 48 10.519 4.368 2.027 1.00 1.78 C ATOM 0 H LEU A 48 14.469 6.197 2.982 1.00 2.56 H new ATOM 0 HA LEU A 48 12.553 4.256 3.744 1.00 2.32 H new ATOM 0 HB2 LEU A 48 13.725 5.350 1.212 1.00 2.24 H new ATOM 0 HB3 LEU A 48 12.926 3.798 1.058 1.00 2.24 H new ATOM 0 HG LEU A 48 11.642 6.149 2.513 1.00 1.94 H new ATOM 0 HD11 LEU A 48 10.354 6.551 0.423 1.00 1.90 H new ATOM 0 HD12 LEU A 48 12.098 6.793 0.160 1.00 1.90 H new ATOM 0 HD13 LEU A 48 11.312 5.299 -0.403 1.00 1.90 H new ATOM 0 HD21 LEU A 48 9.553 4.871 2.062 1.00 1.78 H new ATOM 0 HD22 LEU A 48 10.505 3.610 1.244 1.00 1.78 H new ATOM 0 HD23 LEU A 48 10.716 3.893 2.988 1.00 1.78 H new ATOM 767 N GLN A 49 15.345 2.989 2.659 1.00 2.61 N ATOM 768 CA GLN A 49 16.149 1.753 2.642 1.00 2.75 C ATOM 769 C GLN A 49 16.223 1.233 4.078 1.00 2.75 C ATOM 770 O GLN A 49 15.879 0.099 4.340 1.00 2.61 O ATOM 771 CB GLN A 49 17.534 2.120 2.119 1.00 3.13 C ATOM 772 CG GLN A 49 18.320 0.863 1.752 1.00 3.43 C ATOM 773 CD GLN A 49 19.779 1.263 1.591 1.00 3.82 C ATOM 774 OE1 GLN A 49 20.119 2.114 0.786 1.00 4.52 O ATOM 775 NE2 GLN A 49 20.664 0.720 2.363 1.00 4.02 N ATOM 0 H GLN A 49 15.819 3.816 2.296 1.00 2.61 H new ATOM 0 HA GLN A 49 15.719 0.980 2.006 1.00 2.75 H new ATOM 0 HB2 GLN A 49 17.440 2.765 1.245 1.00 3.13 H new ATOM 0 HB3 GLN A 49 18.076 2.687 2.876 1.00 3.13 H new ATOM 0 HG2 GLN A 49 18.214 0.105 2.528 1.00 3.43 H new ATOM 0 HG3 GLN A 49 17.938 0.429 0.828 1.00 3.43 H new ATOM 0 HE21 GLN A 49 20.384 0.008 3.038 1.00 4.02 H new ATOM 0 HE22 GLN A 49 21.641 1.004 2.297 1.00 4.02 H new ATOM 784 N GLN A 50 16.653 2.096 4.966 1.00 2.97 N ATOM 785 CA GLN A 50 16.757 1.716 6.405 1.00 3.12 C ATOM 786 C GLN A 50 15.418 1.148 6.907 1.00 2.85 C ATOM 787 O GLN A 50 15.355 0.042 7.398 1.00 3.19 O ATOM 788 CB GLN A 50 17.114 2.977 7.204 1.00 3.34 C ATOM 789 CG GLN A 50 17.405 2.614 8.663 1.00 3.22 C ATOM 790 CD GLN A 50 17.611 3.903 9.459 1.00 3.52 C ATOM 791 OE1 GLN A 50 16.754 4.759 9.494 1.00 3.92 O ATOM 792 NE2 GLN A 50 18.720 4.085 10.108 1.00 4.58 N ATOM 0 H GLN A 50 16.937 3.052 4.752 1.00 2.97 H new ATOM 0 HA GLN A 50 17.523 0.951 6.532 1.00 3.12 H new ATOM 0 HB2 GLN A 50 17.984 3.462 6.762 1.00 3.34 H new ATOM 0 HB3 GLN A 50 16.292 3.691 7.156 1.00 3.34 H new ATOM 0 HG2 GLN A 50 16.578 2.040 9.081 1.00 3.22 H new ATOM 0 HG3 GLN A 50 18.293 1.985 8.726 1.00 3.22 H new ATOM 0 HE21 GLN A 50 19.448 3.371 10.085 1.00 4.58 H new ATOM 0 HE22 GLN A 50 18.864 4.943 10.641 1.00 4.58 H new ATOM 801 N LYS A 51 14.393 1.951 6.786 1.00 2.31 N ATOM 802 CA LYS A 51 13.016 1.555 7.226 1.00 2.10 C ATOM 803 C LYS A 51 12.586 0.238 6.588 1.00 1.79 C ATOM 804 O LYS A 51 12.059 -0.639 7.244 1.00 1.86 O ATOM 805 CB LYS A 51 12.025 2.631 6.767 1.00 1.98 C ATOM 806 CG LYS A 51 11.961 3.795 7.757 1.00 2.46 C ATOM 807 CD LYS A 51 10.916 4.785 7.226 1.00 2.42 C ATOM 808 CE LYS A 51 10.676 5.924 8.221 1.00 2.15 C ATOM 809 NZ LYS A 51 11.945 6.647 8.504 1.00 2.81 N ATOM 0 H LYS A 51 14.452 2.889 6.391 1.00 2.31 H new ATOM 0 HA LYS A 51 13.026 1.445 8.310 1.00 2.10 H new ATOM 0 HB2 LYS A 51 12.319 3.003 5.786 1.00 1.98 H new ATOM 0 HB3 LYS A 51 11.034 2.191 6.657 1.00 1.98 H new ATOM 0 HG2 LYS A 51 11.685 3.441 8.750 1.00 2.46 H new ATOM 0 HG3 LYS A 51 12.935 4.276 7.849 1.00 2.46 H new ATOM 0 HD2 LYS A 51 11.251 5.195 6.273 1.00 2.42 H new ATOM 0 HD3 LYS A 51 9.979 4.262 7.036 1.00 2.42 H new ATOM 0 HE2 LYS A 51 9.938 6.617 7.817 1.00 2.15 H new ATOM 0 HE3 LYS A 51 10.264 5.524 9.148 1.00 2.15 H new ATOM 0 HZ1 LYS A 51 11.918 7.029 9.471 1.00 2.81 H new ATOM 0 HZ2 LYS A 51 12.746 5.990 8.413 1.00 2.81 H new ATOM 0 HZ3 LYS A 51 12.059 7.427 7.826 1.00 2.81 H new ATOM 823 N ALA A 52 12.748 0.204 5.300 1.00 1.57 N ATOM 824 CA ALA A 52 12.383 -0.978 4.488 1.00 1.41 C ATOM 825 C ALA A 52 13.056 -2.238 5.008 1.00 1.40 C ATOM 826 O ALA A 52 12.396 -3.236 5.251 1.00 1.15 O ATOM 827 CB ALA A 52 12.822 -0.728 3.040 1.00 1.53 C ATOM 0 H ALA A 52 13.133 0.978 4.759 1.00 1.57 H new ATOM 0 HA ALA A 52 11.305 -1.125 4.547 1.00 1.41 H new ATOM 0 HB1 ALA A 52 12.561 -1.590 2.427 1.00 1.53 H new ATOM 0 HB2 ALA A 52 12.317 0.158 2.655 1.00 1.53 H new ATOM 0 HB3 ALA A 52 13.901 -0.574 3.008 1.00 1.53 H new ATOM 833 N GLY A 53 14.360 -2.189 5.094 1.00 1.84 N ATOM 834 CA GLY A 53 15.113 -3.378 5.584 1.00 1.99 C ATOM 835 C GLY A 53 15.607 -4.189 4.389 1.00 2.44 C ATOM 836 O GLY A 53 16.552 -4.946 4.494 1.00 3.12 O ATOM 0 H GLY A 53 14.932 -1.381 4.847 1.00 1.84 H new ATOM 0 HA2 GLY A 53 15.957 -3.061 6.197 1.00 1.99 H new ATOM 0 HA3 GLY A 53 14.473 -3.993 6.216 1.00 1.99 H new ATOM 840 N LYS A 54 14.938 -4.015 3.281 1.00 2.43 N ATOM 841 CA LYS A 54 15.318 -4.758 2.047 1.00 3.03 C ATOM 842 C LYS A 54 16.087 -3.810 1.101 1.00 2.97 C ATOM 843 O LYS A 54 15.994 -2.600 1.233 1.00 3.10 O ATOM 844 CB LYS A 54 14.025 -5.262 1.369 1.00 3.89 C ATOM 845 CG LYS A 54 13.173 -6.045 2.396 1.00 4.43 C ATOM 846 CD LYS A 54 11.797 -6.411 1.809 1.00 5.62 C ATOM 847 CE LYS A 54 11.949 -7.509 0.745 1.00 6.54 C ATOM 848 NZ LYS A 54 10.613 -7.981 0.277 1.00 7.67 N ATOM 0 H LYS A 54 14.141 -3.387 3.178 1.00 2.43 H new ATOM 0 HA LYS A 54 15.959 -5.606 2.288 1.00 3.03 H new ATOM 0 HB2 LYS A 54 13.456 -4.419 0.976 1.00 3.89 H new ATOM 0 HB3 LYS A 54 14.272 -5.902 0.522 1.00 3.89 H new ATOM 0 HG2 LYS A 54 13.699 -6.953 2.693 1.00 4.43 H new ATOM 0 HG3 LYS A 54 13.040 -5.445 3.296 1.00 4.43 H new ATOM 0 HD2 LYS A 54 11.134 -6.754 2.603 1.00 5.62 H new ATOM 0 HD3 LYS A 54 11.335 -5.528 1.367 1.00 5.62 H new ATOM 0 HE2 LYS A 54 12.521 -7.126 -0.100 1.00 6.54 H new ATOM 0 HE3 LYS A 54 12.512 -8.346 1.158 1.00 6.54 H new ATOM 0 HZ1 LYS A 54 10.536 -9.007 0.426 1.00 7.67 H new ATOM 0 HZ2 LYS A 54 9.866 -7.496 0.813 1.00 7.67 H new ATOM 0 HZ3 LYS A 54 10.505 -7.769 -0.736 1.00 7.67 H new ATOM 862 N PRO A 55 16.819 -4.377 0.153 1.00 3.45 N ATOM 863 CA PRO A 55 17.681 -3.578 -0.751 1.00 3.58 C ATOM 864 C PRO A 55 16.847 -2.804 -1.784 1.00 3.67 C ATOM 865 O PRO A 55 16.211 -3.406 -2.628 1.00 4.43 O ATOM 866 CB PRO A 55 18.582 -4.610 -1.452 1.00 4.34 C ATOM 867 CG PRO A 55 18.320 -5.969 -0.766 1.00 4.69 C ATOM 868 CD PRO A 55 16.965 -5.843 -0.055 1.00 4.28 C ATOM 0 HA PRO A 55 18.252 -2.830 -0.202 1.00 3.58 H new ATOM 0 HB2 PRO A 55 18.353 -4.664 -2.516 1.00 4.34 H new ATOM 0 HB3 PRO A 55 19.632 -4.329 -1.365 1.00 4.34 H new ATOM 0 HG2 PRO A 55 18.300 -6.776 -1.498 1.00 4.69 H new ATOM 0 HG3 PRO A 55 19.112 -6.204 -0.054 1.00 4.69 H new ATOM 0 HD2 PRO A 55 16.154 -6.245 -0.662 1.00 4.28 H new ATOM 0 HD3 PRO A 55 16.955 -6.386 0.890 1.00 4.28 H new ATOM 876 N VAL A 56 16.820 -1.501 -1.656 1.00 3.34 N ATOM 877 CA VAL A 56 16.060 -0.654 -2.613 1.00 3.75 C ATOM 878 C VAL A 56 16.944 0.505 -3.111 1.00 3.00 C ATOM 879 O VAL A 56 17.893 0.878 -2.442 1.00 3.34 O ATOM 880 CB VAL A 56 14.830 -0.120 -1.885 1.00 4.53 C ATOM 881 CG1 VAL A 56 13.849 -1.274 -1.642 1.00 6.01 C ATOM 882 CG2 VAL A 56 15.249 0.467 -0.538 1.00 4.41 C ATOM 0 H VAL A 56 17.300 -0.986 -0.918 1.00 3.34 H new ATOM 0 HA VAL A 56 15.756 -1.235 -3.483 1.00 3.75 H new ATOM 0 HB VAL A 56 14.356 0.652 -2.490 1.00 4.53 H new ATOM 0 HG11 VAL A 56 12.968 -0.899 -1.122 1.00 6.01 H new ATOM 0 HG12 VAL A 56 13.550 -1.705 -2.598 1.00 6.01 H new ATOM 0 HG13 VAL A 56 14.331 -2.039 -1.034 1.00 6.01 H new ATOM 0 HG21 VAL A 56 14.370 0.848 -0.018 1.00 4.41 H new ATOM 0 HG22 VAL A 56 15.720 -0.308 0.066 1.00 4.41 H new ATOM 0 HG23 VAL A 56 15.956 1.280 -0.700 1.00 4.41 H new ATOM 892 N GLU A 57 16.587 1.069 -4.233 1.00 3.02 N ATOM 893 CA GLU A 57 17.375 2.205 -4.821 1.00 3.11 C ATOM 894 C GLU A 57 16.472 3.352 -5.276 1.00 2.77 C ATOM 895 O GLU A 57 16.794 4.511 -5.082 1.00 2.93 O ATOM 896 CB GLU A 57 18.222 1.726 -6.028 1.00 4.53 C ATOM 897 CG GLU A 57 17.415 1.005 -7.134 1.00 5.57 C ATOM 898 CD GLU A 57 16.526 -0.098 -6.563 1.00 5.92 C ATOM 899 OE1 GLU A 57 17.079 -1.131 -6.248 1.00 6.57 O ATOM 900 OE2 GLU A 57 15.345 0.186 -6.429 1.00 6.28 O ATOM 0 H GLU A 57 15.772 0.791 -4.779 1.00 3.02 H new ATOM 0 HA GLU A 57 18.032 2.569 -4.031 1.00 3.11 H new ATOM 0 HB2 GLU A 57 18.726 2.587 -6.467 1.00 4.53 H new ATOM 0 HB3 GLU A 57 18.999 1.053 -5.666 1.00 4.53 H new ATOM 0 HG2 GLU A 57 16.798 1.730 -7.665 1.00 5.57 H new ATOM 0 HG3 GLU A 57 18.102 0.576 -7.864 1.00 5.57 H new ATOM 907 N THR A 58 15.390 3.010 -5.911 1.00 2.87 N ATOM 908 CA THR A 58 14.459 4.064 -6.401 1.00 2.92 C ATOM 909 C THR A 58 13.120 3.959 -5.656 1.00 2.43 C ATOM 910 O THR A 58 13.085 3.570 -4.506 1.00 2.53 O ATOM 911 CB THR A 58 14.272 3.878 -7.920 1.00 3.75 C ATOM 912 OG1 THR A 58 15.506 3.391 -8.411 1.00 4.63 O ATOM 913 CG2 THR A 58 14.165 5.216 -8.638 1.00 4.96 C ATOM 0 H THR A 58 15.109 2.050 -6.112 1.00 2.87 H new ATOM 0 HA THR A 58 14.866 5.057 -6.211 1.00 2.92 H new ATOM 0 HB THR A 58 13.393 3.254 -8.079 1.00 3.75 H new ATOM 0 HG1 THR A 58 15.441 3.253 -9.379 1.00 4.63 H new ATOM 0 HG21 THR A 58 14.034 5.046 -9.707 1.00 4.96 H new ATOM 0 HG22 THR A 58 13.309 5.769 -8.251 1.00 4.96 H new ATOM 0 HG23 THR A 58 15.075 5.792 -8.471 1.00 4.96 H new ATOM 921 N VAL A 59 12.056 4.308 -6.330 1.00 2.11 N ATOM 922 CA VAL A 59 10.702 4.261 -5.705 1.00 1.71 C ATOM 923 C VAL A 59 9.833 3.222 -6.435 1.00 1.57 C ATOM 924 O VAL A 59 10.251 2.681 -7.439 1.00 1.76 O ATOM 925 CB VAL A 59 10.093 5.671 -5.830 1.00 1.88 C ATOM 926 CG1 VAL A 59 10.914 6.645 -4.970 1.00 2.23 C ATOM 927 CG2 VAL A 59 10.138 6.134 -7.298 1.00 2.45 C ATOM 0 H VAL A 59 12.068 4.627 -7.299 1.00 2.11 H new ATOM 0 HA VAL A 59 10.758 3.969 -4.656 1.00 1.71 H new ATOM 0 HB VAL A 59 9.057 5.650 -5.492 1.00 1.88 H new ATOM 0 HG11 VAL A 59 10.492 7.647 -5.051 1.00 2.23 H new ATOM 0 HG12 VAL A 59 10.887 6.323 -3.929 1.00 2.23 H new ATOM 0 HG13 VAL A 59 11.946 6.657 -5.319 1.00 2.23 H new ATOM 0 HG21 VAL A 59 9.706 7.131 -7.378 1.00 2.45 H new ATOM 0 HG22 VAL A 59 11.173 6.158 -7.640 1.00 2.45 H new ATOM 0 HG23 VAL A 59 9.568 5.441 -7.916 1.00 2.45 H new ATOM 937 N PRO A 60 8.639 2.954 -5.931 1.00 1.43 N ATOM 938 CA PRO A 60 8.145 3.379 -4.599 1.00 1.26 C ATOM 939 C PRO A 60 8.247 2.240 -3.577 1.00 1.07 C ATOM 940 O PRO A 60 8.710 1.153 -3.893 1.00 1.21 O ATOM 941 CB PRO A 60 6.691 3.722 -4.888 1.00 1.34 C ATOM 942 CG PRO A 60 6.274 2.820 -6.081 1.00 1.67 C ATOM 943 CD PRO A 60 7.579 2.310 -6.732 1.00 1.66 C ATOM 0 HA PRO A 60 8.714 4.202 -4.167 1.00 1.26 H new ATOM 0 HB2 PRO A 60 6.064 3.533 -4.017 1.00 1.34 H new ATOM 0 HB3 PRO A 60 6.580 4.777 -5.138 1.00 1.34 H new ATOM 0 HG2 PRO A 60 5.661 1.986 -5.739 1.00 1.67 H new ATOM 0 HG3 PRO A 60 5.677 3.381 -6.800 1.00 1.67 H new ATOM 0 HD2 PRO A 60 7.650 1.223 -6.691 1.00 1.66 H new ATOM 0 HD3 PRO A 60 7.641 2.594 -7.782 1.00 1.66 H new ATOM 951 N GLN A 61 7.785 2.515 -2.376 1.00 0.88 N ATOM 952 CA GLN A 61 7.847 1.481 -1.299 1.00 0.78 C ATOM 953 C GLN A 61 6.515 1.398 -0.537 1.00 0.66 C ATOM 954 O GLN A 61 5.839 2.402 -0.340 1.00 0.75 O ATOM 955 CB GLN A 61 8.978 1.846 -0.340 1.00 0.93 C ATOM 956 CG GLN A 61 10.275 2.048 -1.147 1.00 1.69 C ATOM 957 CD GLN A 61 11.433 1.426 -0.386 1.00 1.63 C ATOM 958 OE1 GLN A 61 12.455 2.029 -0.140 1.00 2.48 O ATOM 959 NE2 GLN A 61 11.303 0.203 0.025 1.00 2.17 N ATOM 0 H GLN A 61 7.371 3.406 -2.101 1.00 0.88 H new ATOM 0 HA GLN A 61 8.033 0.505 -1.748 1.00 0.78 H new ATOM 0 HB2 GLN A 61 8.729 2.756 0.207 1.00 0.93 H new ATOM 0 HB3 GLN A 61 9.114 1.057 0.400 1.00 0.93 H new ATOM 0 HG2 GLN A 61 10.181 1.589 -2.131 1.00 1.69 H new ATOM 0 HG3 GLN A 61 10.457 3.111 -1.307 1.00 1.69 H new ATOM 0 HE21 GLN A 61 10.447 -0.314 -0.176 1.00 2.17 H new ATOM 0 HE22 GLN A 61 12.056 -0.242 0.549 1.00 2.17 H new ATOM 968 N ILE A 62 6.177 0.197 -0.134 1.00 0.53 N ATOM 969 CA ILE A 62 4.901 -0.026 0.607 1.00 0.47 C ATOM 970 C ILE A 62 5.161 -0.716 1.939 1.00 0.49 C ATOM 971 O ILE A 62 6.021 -1.588 2.055 1.00 0.54 O ATOM 972 CB ILE A 62 3.949 -0.919 -0.213 1.00 0.48 C ATOM 973 CG1 ILE A 62 3.540 -0.227 -1.523 1.00 0.66 C ATOM 974 CG2 ILE A 62 2.679 -1.217 0.606 1.00 0.56 C ATOM 975 CD1 ILE A 62 4.631 -0.407 -2.576 1.00 1.65 C ATOM 0 H ILE A 62 6.736 -0.642 -0.289 1.00 0.53 H new ATOM 0 HA ILE A 62 4.449 0.951 0.777 1.00 0.47 H new ATOM 0 HB ILE A 62 4.473 -1.846 -0.447 1.00 0.48 H new ATOM 0 HG12 ILE A 62 2.601 -0.645 -1.886 1.00 0.66 H new ATOM 0 HG13 ILE A 62 3.368 0.834 -1.344 1.00 0.66 H new ATOM 0 HG21 ILE A 62 2.009 -1.848 0.022 1.00 0.56 H new ATOM 0 HG22 ILE A 62 2.952 -1.732 1.527 1.00 0.56 H new ATOM 0 HG23 ILE A 62 2.175 -0.282 0.849 1.00 0.56 H new ATOM 0 HD11 ILE A 62 4.330 0.087 -3.500 1.00 1.65 H new ATOM 0 HD12 ILE A 62 5.561 0.033 -2.215 1.00 1.65 H new ATOM 0 HD13 ILE A 62 4.782 -1.470 -2.766 1.00 1.65 H new ATOM 987 N PHE A 63 4.345 -0.334 2.880 1.00 0.50 N ATOM 988 CA PHE A 63 4.407 -0.884 4.268 1.00 0.56 C ATOM 989 C PHE A 63 2.992 -1.287 4.696 1.00 0.58 C ATOM 990 O PHE A 63 2.022 -0.810 4.135 1.00 0.60 O ATOM 991 CB PHE A 63 4.897 0.204 5.242 1.00 0.62 C ATOM 992 CG PHE A 63 6.311 0.692 4.882 1.00 0.64 C ATOM 993 CD1 PHE A 63 6.525 1.447 3.743 1.00 0.66 C ATOM 994 CD2 PHE A 63 7.383 0.420 5.714 1.00 0.91 C ATOM 995 CE1 PHE A 63 7.787 1.920 3.437 1.00 0.88 C ATOM 996 CE2 PHE A 63 8.647 0.895 5.410 1.00 1.10 C ATOM 997 CZ PHE A 63 8.848 1.644 4.270 1.00 1.08 C ATOM 0 H PHE A 63 3.611 0.361 2.741 1.00 0.50 H new ATOM 0 HA PHE A 63 5.086 -1.736 4.286 1.00 0.56 H new ATOM 0 HB2 PHE A 63 4.206 1.046 5.225 1.00 0.62 H new ATOM 0 HB3 PHE A 63 4.895 -0.189 6.259 1.00 0.62 H new ATOM 0 HD1 PHE A 63 5.697 1.669 3.086 1.00 0.66 H new ATOM 0 HD2 PHE A 63 7.232 -0.168 6.608 1.00 0.91 H new ATOM 0 HE1 PHE A 63 7.941 2.507 2.543 1.00 0.88 H new ATOM 0 HE2 PHE A 63 9.477 0.679 6.067 1.00 1.10 H new ATOM 0 HZ PHE A 63 9.835 2.013 4.031 1.00 1.08 H new ATOM 1007 N VAL A 64 2.900 -2.115 5.690 1.00 0.63 N ATOM 1008 CA VAL A 64 1.569 -2.543 6.200 1.00 0.71 C ATOM 1009 C VAL A 64 1.444 -1.937 7.602 1.00 0.94 C ATOM 1010 O VAL A 64 2.394 -1.356 8.094 1.00 2.15 O ATOM 1011 CB VAL A 64 1.533 -4.088 6.229 1.00 1.08 C ATOM 1012 CG1 VAL A 64 0.174 -4.612 6.719 1.00 1.02 C ATOM 1013 CG2 VAL A 64 1.776 -4.614 4.808 1.00 1.43 C ATOM 0 H VAL A 64 3.698 -2.520 6.179 1.00 0.63 H new ATOM 0 HA VAL A 64 0.738 -2.210 5.578 1.00 0.71 H new ATOM 0 HB VAL A 64 2.305 -4.435 6.916 1.00 1.08 H new ATOM 0 HG11 VAL A 64 0.185 -5.702 6.726 1.00 1.02 H new ATOM 0 HG12 VAL A 64 -0.016 -4.244 7.727 1.00 1.02 H new ATOM 0 HG13 VAL A 64 -0.613 -4.262 6.051 1.00 1.02 H new ATOM 0 HG21 VAL A 64 1.753 -5.704 4.815 1.00 1.43 H new ATOM 0 HG22 VAL A 64 0.998 -4.239 4.143 1.00 1.43 H new ATOM 0 HG23 VAL A 64 2.750 -4.274 4.456 1.00 1.43 H new ATOM 1023 N ASP A 65 0.313 -2.090 8.227 1.00 0.74 N ATOM 1024 CA ASP A 65 0.160 -1.518 9.586 1.00 0.70 C ATOM 1025 C ASP A 65 1.167 -2.140 10.561 1.00 1.31 C ATOM 1026 O ASP A 65 1.339 -1.669 11.664 1.00 2.30 O ATOM 1027 CB ASP A 65 -1.262 -1.816 10.078 1.00 1.56 C ATOM 1028 CG ASP A 65 -1.499 -1.075 11.389 1.00 2.43 C ATOM 1029 OD1 ASP A 65 -1.390 0.136 11.341 1.00 3.71 O ATOM 1030 OD2 ASP A 65 -1.787 -1.756 12.354 1.00 3.05 O ATOM 0 H ASP A 65 -0.502 -2.581 7.860 1.00 0.74 H new ATOM 0 HA ASP A 65 0.342 -0.444 9.543 1.00 0.70 H new ATOM 0 HB2 ASP A 65 -1.992 -1.503 9.331 1.00 1.56 H new ATOM 0 HB3 ASP A 65 -1.393 -2.888 10.223 1.00 1.56 H new ATOM 1035 N GLN A 66 1.848 -3.161 10.118 1.00 1.29 N ATOM 1036 CA GLN A 66 2.824 -3.831 11.025 1.00 2.14 C ATOM 1037 C GLN A 66 4.266 -3.883 10.484 1.00 1.42 C ATOM 1038 O GLN A 66 5.176 -3.414 11.139 1.00 1.57 O ATOM 1039 CB GLN A 66 2.290 -5.248 11.297 1.00 3.44 C ATOM 1040 CG GLN A 66 0.951 -5.123 12.052 1.00 4.30 C ATOM 1041 CD GLN A 66 0.254 -6.483 12.154 1.00 6.13 C ATOM 1042 OE1 GLN A 66 0.266 -7.272 11.237 1.00 7.51 O ATOM 1043 NE2 GLN A 66 -0.400 -6.788 13.239 1.00 6.72 N ATOM 0 H GLN A 66 1.774 -3.556 9.181 1.00 1.29 H new ATOM 0 HA GLN A 66 2.901 -3.241 11.938 1.00 2.14 H new ATOM 0 HB2 GLN A 66 2.149 -5.787 10.360 1.00 3.44 H new ATOM 0 HB3 GLN A 66 3.008 -5.818 11.888 1.00 3.44 H new ATOM 0 HG2 GLN A 66 1.128 -4.724 13.051 1.00 4.30 H new ATOM 0 HG3 GLN A 66 0.302 -4.415 11.536 1.00 4.30 H new ATOM 0 HE21 GLN A 66 -0.421 -6.135 14.022 1.00 6.72 H new ATOM 0 HE22 GLN A 66 -0.891 -7.680 13.305 1.00 6.72 H new ATOM 1052 N GLN A 67 4.468 -4.443 9.316 1.00 1.15 N ATOM 1053 CA GLN A 67 5.869 -4.552 8.769 1.00 1.05 C ATOM 1054 C GLN A 67 6.028 -3.859 7.418 1.00 0.79 C ATOM 1055 O GLN A 67 5.071 -3.358 6.866 1.00 0.81 O ATOM 1056 CB GLN A 67 6.167 -6.051 8.586 1.00 1.93 C ATOM 1057 CG GLN A 67 7.180 -6.528 9.630 1.00 3.35 C ATOM 1058 CD GLN A 67 8.604 -6.175 9.178 1.00 5.32 C ATOM 1059 OE1 GLN A 67 8.883 -5.060 8.791 1.00 6.15 O ATOM 1060 NE2 GLN A 67 9.527 -7.091 9.194 1.00 6.78 N ATOM 0 H GLN A 67 3.736 -4.827 8.719 1.00 1.15 H new ATOM 0 HA GLN A 67 6.554 -4.066 9.464 1.00 1.05 H new ATOM 0 HB2 GLN A 67 5.245 -6.625 8.677 1.00 1.93 H new ATOM 0 HB3 GLN A 67 6.557 -6.231 7.584 1.00 1.93 H new ATOM 0 HG2 GLN A 67 6.969 -6.063 10.593 1.00 3.35 H new ATOM 0 HG3 GLN A 67 7.090 -7.605 9.770 1.00 3.35 H new ATOM 0 HE21 GLN A 67 9.305 -8.033 9.517 1.00 6.78 H new ATOM 0 HE22 GLN A 67 10.473 -6.868 8.883 1.00 6.78 H new ATOM 1069 N HIS A 68 7.237 -3.844 6.922 1.00 0.93 N ATOM 1070 CA HIS A 68 7.470 -3.237 5.587 1.00 0.77 C ATOM 1071 C HIS A 68 7.366 -4.389 4.592 1.00 0.76 C ATOM 1072 O HIS A 68 7.641 -5.524 4.953 1.00 0.87 O ATOM 1073 CB HIS A 68 8.868 -2.616 5.514 1.00 0.94 C ATOM 1074 CG HIS A 68 9.301 -2.325 4.079 1.00 0.81 C ATOM 1075 ND1 HIS A 68 10.258 -3.004 3.527 1.00 0.85 N ATOM 1076 CD2 HIS A 68 8.835 -1.459 3.125 1.00 0.90 C ATOM 1077 CE1 HIS A 68 10.400 -2.609 2.288 1.00 0.88 C ATOM 1078 NE2 HIS A 68 9.529 -1.662 2.046 1.00 0.83 N ATOM 0 H HIS A 68 8.065 -4.223 7.382 1.00 0.93 H new ATOM 0 HA HIS A 68 6.751 -2.444 5.379 1.00 0.77 H new ATOM 0 HB2 HIS A 68 8.882 -1.691 6.090 1.00 0.94 H new ATOM 0 HB3 HIS A 68 9.587 -3.291 5.978 1.00 0.94 H new ATOM 0 HD1 HIS A 68 10.811 -3.729 3.985 1.00 0.85 H new ATOM 0 HD2 HIS A 68 8.038 -0.740 3.248 1.00 0.90 H new ATOM 0 HE1 HIS A 68 11.117 -3.000 1.581 1.00 0.88 H new ATOM 1086 N ILE A 69 7.028 -4.107 3.365 1.00 0.73 N ATOM 1087 CA ILE A 69 6.887 -5.229 2.393 1.00 0.82 C ATOM 1088 C ILE A 69 7.928 -5.136 1.287 1.00 0.78 C ATOM 1089 O ILE A 69 8.626 -6.101 1.003 1.00 0.95 O ATOM 1090 CB ILE A 69 5.462 -5.166 1.818 1.00 0.84 C ATOM 1091 CG1 ILE A 69 4.431 -5.079 2.966 1.00 0.95 C ATOM 1092 CG2 ILE A 69 5.183 -6.413 0.969 1.00 1.03 C ATOM 1093 CD1 ILE A 69 4.564 -6.270 3.938 1.00 1.08 C ATOM 0 H ILE A 69 6.847 -3.173 2.998 1.00 0.73 H new ATOM 0 HA ILE A 69 7.052 -6.183 2.894 1.00 0.82 H new ATOM 0 HB ILE A 69 5.376 -4.278 1.191 1.00 0.84 H new ATOM 0 HG12 ILE A 69 4.570 -4.146 3.512 1.00 0.95 H new ATOM 0 HG13 ILE A 69 3.423 -5.058 2.551 1.00 0.95 H new ATOM 0 HG21 ILE A 69 4.172 -6.360 0.566 1.00 1.03 H new ATOM 0 HG22 ILE A 69 5.899 -6.462 0.148 1.00 1.03 H new ATOM 0 HG23 ILE A 69 5.280 -7.304 1.589 1.00 1.03 H new ATOM 0 HD11 ILE A 69 3.824 -6.176 4.732 1.00 1.08 H new ATOM 0 HD12 ILE A 69 4.399 -7.202 3.397 1.00 1.08 H new ATOM 0 HD13 ILE A 69 5.564 -6.275 4.373 1.00 1.08 H new ATOM 1105 N GLY A 70 8.035 -3.971 0.714 1.00 0.68 N ATOM 1106 CA GLY A 70 9.013 -3.773 -0.398 1.00 0.70 C ATOM 1107 C GLY A 70 8.446 -2.789 -1.411 1.00 0.76 C ATOM 1108 O GLY A 70 7.967 -1.736 -1.023 1.00 1.18 O ATOM 0 H GLY A 70 7.490 -3.146 0.965 1.00 0.68 H new ATOM 0 HA2 GLY A 70 9.957 -3.399 -0.002 1.00 0.70 H new ATOM 0 HA3 GLY A 70 9.226 -4.726 -0.882 1.00 0.70 H new ATOM 1112 N GLY A 71 8.492 -3.143 -2.671 1.00 0.69 N ATOM 1113 CA GLY A 71 7.961 -2.223 -3.731 1.00 0.80 C ATOM 1114 C GLY A 71 6.672 -2.795 -4.333 1.00 0.76 C ATOM 1115 O GLY A 71 6.146 -3.766 -3.822 1.00 1.20 O ATOM 0 H GLY A 71 8.872 -4.025 -3.014 1.00 0.69 H new ATOM 0 HA2 GLY A 71 7.766 -1.239 -3.304 1.00 0.80 H new ATOM 0 HA3 GLY A 71 8.708 -2.089 -4.513 1.00 0.80 H new ATOM 1119 N TYR A 72 6.168 -2.154 -5.373 1.00 0.84 N ATOM 1120 CA TYR A 72 4.906 -2.651 -6.030 1.00 0.78 C ATOM 1121 C TYR A 72 4.891 -4.182 -6.088 1.00 0.81 C ATOM 1122 O TYR A 72 3.931 -4.806 -5.689 1.00 1.22 O ATOM 1123 CB TYR A 72 4.787 -2.085 -7.453 1.00 0.94 C ATOM 1124 CG TYR A 72 3.633 -2.791 -8.186 1.00 1.11 C ATOM 1125 CD1 TYR A 72 2.330 -2.376 -8.000 1.00 1.28 C ATOM 1126 CD2 TYR A 72 3.873 -3.873 -9.017 1.00 1.64 C ATOM 1127 CE1 TYR A 72 1.287 -3.025 -8.629 1.00 1.45 C ATOM 1128 CE2 TYR A 72 2.826 -4.523 -9.640 1.00 1.91 C ATOM 1129 CZ TYR A 72 1.527 -4.106 -9.450 1.00 1.64 C ATOM 1130 OH TYR A 72 0.477 -4.762 -10.060 1.00 1.97 O ATOM 0 H TYR A 72 6.573 -1.316 -5.791 1.00 0.84 H new ATOM 0 HA TYR A 72 4.059 -2.311 -5.434 1.00 0.78 H new ATOM 0 HB2 TYR A 72 4.606 -1.011 -7.416 1.00 0.94 H new ATOM 0 HB3 TYR A 72 5.721 -2.232 -7.995 1.00 0.94 H new ATOM 0 HD1 TYR A 72 2.124 -1.534 -7.355 1.00 1.28 H new ATOM 0 HD2 TYR A 72 4.886 -4.211 -9.179 1.00 1.64 H new ATOM 0 HE1 TYR A 72 0.274 -2.683 -8.477 1.00 1.45 H new ATOM 0 HE2 TYR A 72 3.028 -5.367 -10.283 1.00 1.91 H new ATOM 0 HH TYR A 72 0.824 -5.499 -10.604 1.00 1.97 H new ATOM 1140 N THR A 73 5.946 -4.740 -6.614 1.00 0.94 N ATOM 1141 CA THR A 73 6.043 -6.220 -6.711 1.00 1.10 C ATOM 1142 C THR A 73 5.734 -6.859 -5.351 1.00 1.14 C ATOM 1143 O THR A 73 4.801 -7.627 -5.199 1.00 1.20 O ATOM 1144 CB THR A 73 7.477 -6.563 -7.165 1.00 1.29 C ATOM 1145 OG1 THR A 73 8.308 -5.575 -6.541 1.00 1.85 O ATOM 1146 CG2 THR A 73 7.662 -6.316 -8.670 1.00 1.15 C ATOM 0 H THR A 73 6.749 -4.230 -6.982 1.00 0.94 H new ATOM 0 HA THR A 73 5.320 -6.609 -7.428 1.00 1.10 H new ATOM 0 HB THR A 73 7.699 -7.602 -6.923 1.00 1.29 H new ATOM 0 HG1 THR A 73 9.244 -5.733 -6.786 1.00 1.85 H new ATOM 0 HG21 THR A 73 8.683 -6.567 -8.957 1.00 1.15 H new ATOM 0 HG22 THR A 73 6.964 -6.939 -9.229 1.00 1.15 H new ATOM 0 HG23 THR A 73 7.471 -5.266 -8.893 1.00 1.15 H new ATOM 1154 N ASP A 74 6.511 -6.484 -4.386 1.00 1.17 N ATOM 1155 CA ASP A 74 6.336 -7.034 -3.016 1.00 1.29 C ATOM 1156 C ASP A 74 4.896 -6.825 -2.545 1.00 1.17 C ATOM 1157 O ASP A 74 4.220 -7.758 -2.178 1.00 1.16 O ATOM 1158 CB ASP A 74 7.307 -6.315 -2.073 1.00 1.39 C ATOM 1159 CG ASP A 74 8.729 -6.386 -2.628 1.00 1.65 C ATOM 1160 OD1 ASP A 74 8.934 -5.824 -3.695 1.00 1.94 O ATOM 1161 OD2 ASP A 74 9.540 -6.975 -1.946 1.00 2.71 O ATOM 0 H ASP A 74 7.271 -5.811 -4.485 1.00 1.17 H new ATOM 0 HA ASP A 74 6.545 -8.104 -3.018 1.00 1.29 H new ATOM 0 HB2 ASP A 74 7.007 -5.274 -1.954 1.00 1.39 H new ATOM 0 HB3 ASP A 74 7.271 -6.772 -1.084 1.00 1.39 H new ATOM 1166 N PHE A 75 4.457 -5.604 -2.595 1.00 1.09 N ATOM 1167 CA PHE A 75 3.066 -5.298 -2.151 1.00 1.00 C ATOM 1168 C PHE A 75 2.048 -6.177 -2.888 1.00 0.97 C ATOM 1169 O PHE A 75 1.251 -6.827 -2.261 1.00 0.92 O ATOM 1170 CB PHE A 75 2.766 -3.816 -2.412 1.00 1.02 C ATOM 1171 CG PHE A 75 1.350 -3.473 -1.927 1.00 0.95 C ATOM 1172 CD1 PHE A 75 0.931 -3.824 -0.656 1.00 1.04 C ATOM 1173 CD2 PHE A 75 0.476 -2.785 -2.753 1.00 0.91 C ATOM 1174 CE1 PHE A 75 -0.333 -3.494 -0.220 1.00 0.98 C ATOM 1175 CE2 PHE A 75 -0.787 -2.452 -2.312 1.00 0.92 C ATOM 1176 CZ PHE A 75 -1.189 -2.807 -1.046 1.00 0.89 C ATOM 0 H PHE A 75 4.996 -4.803 -2.923 1.00 1.09 H new ATOM 0 HA PHE A 75 2.984 -5.509 -1.085 1.00 1.00 H new ATOM 0 HB2 PHE A 75 3.497 -3.192 -1.897 1.00 1.02 H new ATOM 0 HB3 PHE A 75 2.857 -3.600 -3.477 1.00 1.02 H new ATOM 0 HD1 PHE A 75 1.601 -4.361 -0.001 1.00 1.04 H new ATOM 0 HD2 PHE A 75 0.786 -2.508 -3.750 1.00 0.91 H new ATOM 0 HE1 PHE A 75 -0.652 -3.776 0.773 1.00 0.98 H new ATOM 0 HE2 PHE A 75 -1.461 -1.912 -2.961 1.00 0.92 H new ATOM 0 HZ PHE A 75 -2.178 -2.546 -0.701 1.00 0.89 H new ATOM 1186 N ALA A 76 2.109 -6.195 -4.189 1.00 1.04 N ATOM 1187 CA ALA A 76 1.142 -7.025 -4.960 1.00 1.06 C ATOM 1188 C ALA A 76 1.178 -8.454 -4.427 1.00 1.03 C ATOM 1189 O ALA A 76 0.151 -9.041 -4.126 1.00 0.95 O ATOM 1190 CB ALA A 76 1.532 -7.009 -6.439 1.00 1.19 C ATOM 0 H ALA A 76 2.783 -5.674 -4.750 1.00 1.04 H new ATOM 0 HA ALA A 76 0.134 -6.624 -4.852 1.00 1.06 H new ATOM 0 HB1 ALA A 76 0.827 -7.615 -7.008 1.00 1.19 H new ATOM 0 HB2 ALA A 76 1.511 -5.984 -6.810 1.00 1.19 H new ATOM 0 HB3 ALA A 76 2.536 -7.416 -6.555 1.00 1.19 H new ATOM 1196 N ALA A 77 2.371 -8.980 -4.311 1.00 1.12 N ATOM 1197 CA ALA A 77 2.510 -10.371 -3.790 1.00 1.15 C ATOM 1198 C ALA A 77 1.928 -10.462 -2.376 1.00 1.03 C ATOM 1199 O ALA A 77 1.051 -11.265 -2.128 1.00 1.01 O ATOM 1200 CB ALA A 77 3.986 -10.765 -3.758 1.00 1.25 C ATOM 0 H ALA A 77 3.245 -8.512 -4.552 1.00 1.12 H new ATOM 0 HA ALA A 77 1.966 -11.050 -4.447 1.00 1.15 H new ATOM 0 HB1 ALA A 77 4.083 -11.782 -3.377 1.00 1.25 H new ATOM 0 HB2 ALA A 77 4.398 -10.714 -4.766 1.00 1.25 H new ATOM 0 HB3 ALA A 77 4.531 -10.080 -3.108 1.00 1.25 H new ATOM 1206 N TRP A 78 2.416 -9.631 -1.483 1.00 1.00 N ATOM 1207 CA TRP A 78 1.895 -9.662 -0.074 1.00 0.90 C ATOM 1208 C TRP A 78 0.374 -9.623 -0.098 1.00 0.86 C ATOM 1209 O TRP A 78 -0.271 -10.440 0.522 1.00 0.85 O ATOM 1210 CB TRP A 78 2.401 -8.462 0.737 1.00 0.94 C ATOM 1211 CG TRP A 78 1.868 -8.401 2.182 1.00 0.86 C ATOM 1212 CD1 TRP A 78 2.286 -9.155 3.249 1.00 0.84 C ATOM 1213 CD2 TRP A 78 0.813 -7.677 2.682 1.00 0.90 C ATOM 1214 NE1 TRP A 78 1.545 -8.905 4.297 1.00 0.86 N ATOM 1215 CE2 TRP A 78 0.617 -8.006 4.016 1.00 0.83 C ATOM 1216 CE3 TRP A 78 0.008 -6.757 2.038 1.00 1.11 C ATOM 1217 CZ2 TRP A 78 -0.402 -7.416 4.732 1.00 0.86 C ATOM 1218 CZ3 TRP A 78 -1.015 -6.171 2.775 1.00 1.15 C ATOM 1219 CH2 TRP A 78 -1.216 -6.495 4.110 1.00 0.99 C ATOM 0 H TRP A 78 3.144 -8.940 -1.664 1.00 1.00 H new ATOM 0 HA TRP A 78 2.252 -10.578 0.396 1.00 0.90 H new ATOM 0 HB2 TRP A 78 3.490 -8.491 0.765 1.00 0.94 H new ATOM 0 HB3 TRP A 78 2.120 -7.545 0.220 1.00 0.94 H new ATOM 0 HD1 TRP A 78 3.109 -9.854 3.227 1.00 0.84 H new ATOM 0 HE1 TRP A 78 1.667 -9.345 5.209 1.00 0.86 H new ATOM 0 HE3 TRP A 78 0.168 -6.503 1.001 1.00 1.11 H new ATOM 0 HZ2 TRP A 78 -0.561 -7.673 5.769 1.00 0.86 H new ATOM 0 HZ3 TRP A 78 -1.665 -5.451 2.300 1.00 1.15 H new ATOM 0 HH2 TRP A 78 -2.014 -6.023 4.663 1.00 0.99 H new ATOM 1230 N VAL A 79 -0.150 -8.661 -0.805 1.00 0.90 N ATOM 1231 CA VAL A 79 -1.623 -8.540 -0.911 1.00 0.91 C ATOM 1232 C VAL A 79 -2.199 -9.899 -1.291 1.00 0.94 C ATOM 1233 O VAL A 79 -2.940 -10.496 -0.531 1.00 0.95 O ATOM 1234 CB VAL A 79 -1.962 -7.502 -1.997 1.00 1.01 C ATOM 1235 CG1 VAL A 79 -3.438 -7.622 -2.398 1.00 1.06 C ATOM 1236 CG2 VAL A 79 -1.701 -6.090 -1.460 1.00 1.03 C ATOM 0 H VAL A 79 0.382 -7.955 -1.313 1.00 0.90 H new ATOM 0 HA VAL A 79 -2.049 -8.218 0.039 1.00 0.91 H new ATOM 0 HB VAL A 79 -1.334 -7.687 -2.869 1.00 1.01 H new ATOM 0 HG11 VAL A 79 -3.667 -6.884 -3.166 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -3.629 -8.622 -2.787 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -4.067 -7.446 -1.526 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -1.942 -5.357 -2.230 1.00 1.03 H new ATOM 0 HG22 VAL A 79 -2.324 -5.913 -0.584 1.00 1.03 H new ATOM 0 HG23 VAL A 79 -0.651 -5.994 -1.184 1.00 1.03 H new ATOM 1246 N LYS A 80 -1.824 -10.352 -2.460 1.00 1.07 N ATOM 1247 CA LYS A 80 -2.321 -11.665 -2.958 1.00 1.18 C ATOM 1248 C LYS A 80 -2.261 -12.736 -1.855 1.00 1.21 C ATOM 1249 O LYS A 80 -3.242 -13.407 -1.594 1.00 1.44 O ATOM 1250 CB LYS A 80 -1.455 -12.083 -4.167 1.00 1.33 C ATOM 1251 CG LYS A 80 -2.187 -13.105 -5.067 1.00 1.52 C ATOM 1252 CD LYS A 80 -2.242 -14.493 -4.396 1.00 1.91 C ATOM 1253 CE LYS A 80 -3.662 -14.792 -3.884 1.00 2.06 C ATOM 1254 NZ LYS A 80 -3.621 -15.717 -2.711 1.00 2.15 N ATOM 0 H LYS A 80 -1.191 -9.864 -3.093 1.00 1.07 H new ATOM 0 HA LYS A 80 -3.364 -11.570 -3.258 1.00 1.18 H new ATOM 0 HB2 LYS A 80 -1.197 -11.201 -4.753 1.00 1.33 H new ATOM 0 HB3 LYS A 80 -0.519 -12.515 -3.813 1.00 1.33 H new ATOM 0 HG2 LYS A 80 -3.199 -12.756 -5.271 1.00 1.52 H new ATOM 0 HG3 LYS A 80 -1.676 -13.181 -6.027 1.00 1.52 H new ATOM 0 HD2 LYS A 80 -1.938 -15.260 -5.109 1.00 1.91 H new ATOM 0 HD3 LYS A 80 -1.535 -14.530 -3.567 1.00 1.91 H new ATOM 0 HE2 LYS A 80 -4.155 -13.862 -3.602 1.00 2.06 H new ATOM 0 HE3 LYS A 80 -4.255 -15.237 -4.683 1.00 2.06 H new ATOM 0 HZ1 LYS A 80 -4.365 -16.437 -2.810 1.00 2.15 H new ATOM 0 HZ2 LYS A 80 -2.692 -16.183 -2.669 1.00 2.15 H new ATOM 0 HZ3 LYS A 80 -3.777 -15.176 -1.837 1.00 2.15 H new ATOM 1268 N GLU A 81 -1.150 -12.851 -1.180 1.00 1.20 N ATOM 1269 CA GLU A 81 -1.081 -13.922 -0.137 1.00 1.31 C ATOM 1270 C GLU A 81 -1.460 -13.443 1.280 1.00 1.24 C ATOM 1271 O GLU A 81 -0.989 -13.998 2.255 1.00 1.80 O ATOM 1272 CB GLU A 81 0.359 -14.475 -0.105 1.00 1.45 C ATOM 1273 CG GLU A 81 0.867 -14.796 -1.525 1.00 2.14 C ATOM 1274 CD GLU A 81 0.323 -16.148 -1.998 1.00 2.73 C ATOM 1275 OE1 GLU A 81 -0.884 -16.225 -2.161 1.00 3.80 O ATOM 1276 OE2 GLU A 81 1.149 -17.026 -2.175 1.00 3.57 O ATOM 0 H GLU A 81 -0.315 -12.276 -1.295 1.00 1.20 H new ATOM 0 HA GLU A 81 -1.812 -14.682 -0.413 1.00 1.31 H new ATOM 0 HB2 GLU A 81 1.020 -13.747 0.364 1.00 1.45 H new ATOM 0 HB3 GLU A 81 0.391 -15.376 0.508 1.00 1.45 H new ATOM 0 HG2 GLU A 81 0.556 -14.011 -2.215 1.00 2.14 H new ATOM 0 HG3 GLU A 81 1.957 -14.813 -1.532 1.00 2.14 H new ATOM 1283 N ASN A 82 -2.285 -12.434 1.384 1.00 0.98 N ATOM 1284 CA ASN A 82 -2.688 -11.946 2.749 1.00 0.98 C ATOM 1285 C ASN A 82 -4.146 -11.488 2.789 1.00 1.03 C ATOM 1286 O ASN A 82 -4.860 -11.783 3.723 1.00 1.24 O ATOM 1287 CB ASN A 82 -1.781 -10.781 3.178 1.00 0.88 C ATOM 1288 CG ASN A 82 -0.471 -11.351 3.727 1.00 0.94 C ATOM 1289 OD1 ASN A 82 -0.324 -11.578 4.909 1.00 1.23 O ATOM 1290 ND2 ASN A 82 0.483 -11.633 2.899 1.00 0.89 N ATOM 0 H ASN A 82 -2.696 -11.929 0.599 1.00 0.98 H new ATOM 0 HA ASN A 82 -2.578 -12.784 3.437 1.00 0.98 H new ATOM 0 HB2 ASN A 82 -1.581 -10.126 2.330 1.00 0.88 H new ATOM 0 HB3 ASN A 82 -2.277 -10.177 3.937 1.00 0.88 H new ATOM 0 HD21 ASN A 82 1.351 -12.043 3.242 1.00 0.89 H new ATOM 0 HD22 ASN A 82 0.366 -11.445 1.903 1.00 0.89 H new ATOM 1297 N LEU A 83 -4.565 -10.791 1.767 1.00 1.03 N ATOM 1298 CA LEU A 83 -5.969 -10.269 1.741 1.00 1.13 C ATOM 1299 C LEU A 83 -6.828 -10.993 0.696 1.00 1.49 C ATOM 1300 O LEU A 83 -7.994 -10.668 0.545 1.00 1.98 O ATOM 1301 CB LEU A 83 -5.912 -8.776 1.381 1.00 1.16 C ATOM 1302 CG LEU A 83 -4.977 -8.027 2.351 1.00 1.08 C ATOM 1303 CD1 LEU A 83 -4.585 -6.684 1.739 1.00 1.47 C ATOM 1304 CD2 LEU A 83 -5.694 -7.765 3.681 1.00 1.51 C ATOM 0 H LEU A 83 -4.000 -10.559 0.950 1.00 1.03 H new ATOM 0 HA LEU A 83 -6.420 -10.434 2.719 1.00 1.13 H new ATOM 0 HB2 LEU A 83 -5.558 -8.655 0.357 1.00 1.16 H new ATOM 0 HB3 LEU A 83 -6.913 -8.346 1.425 1.00 1.16 H new ATOM 0 HG LEU A 83 -4.092 -8.638 2.527 1.00 1.08 H new ATOM 0 HD11 LEU A 83 -3.924 -6.152 2.423 1.00 1.47 H new ATOM 0 HD12 LEU A 83 -4.070 -6.852 0.793 1.00 1.47 H new ATOM 0 HD13 LEU A 83 -5.481 -6.089 1.564 1.00 1.47 H new ATOM 0 HD21 LEU A 83 -5.023 -7.235 4.358 1.00 1.51 H new ATOM 0 HD22 LEU A 83 -6.582 -7.159 3.502 1.00 1.51 H new ATOM 0 HD23 LEU A 83 -5.987 -8.714 4.130 1.00 1.51 H new ATOM 1316 N ASP A 84 -6.255 -11.970 0.041 1.00 1.52 N ATOM 1317 CA ASP A 84 -6.985 -12.704 -1.009 1.00 1.92 C ATOM 1318 C ASP A 84 -7.435 -14.065 -0.466 1.00 1.86 C ATOM 1319 O ASP A 84 -7.960 -14.173 0.626 1.00 2.36 O ATOM 1320 CB ASP A 84 -5.988 -12.894 -2.165 1.00 3.21 C ATOM 1321 CG ASP A 84 -6.708 -12.975 -3.511 1.00 4.03 C ATOM 1322 OD1 ASP A 84 -7.379 -12.010 -3.835 1.00 4.98 O ATOM 1323 OD2 ASP A 84 -6.519 -13.999 -4.142 1.00 4.32 O ATOM 0 H ASP A 84 -5.298 -12.287 0.199 1.00 1.52 H new ATOM 0 HA ASP A 84 -7.874 -12.167 -1.339 1.00 1.92 H new ATOM 0 HB2 ASP A 84 -5.280 -12.065 -2.178 1.00 3.21 H new ATOM 0 HB3 ASP A 84 -5.410 -13.804 -2.004 1.00 3.21 H new ATOM 1328 N ALA A 85 -7.218 -15.048 -1.274 1.00 3.26 N ATOM 1329 CA ALA A 85 -7.568 -16.453 -0.934 1.00 4.66 C ATOM 1330 C ALA A 85 -6.365 -17.329 -1.292 1.00 6.87 C ATOM 1331 O ALA A 85 -5.975 -18.107 -0.440 1.00 7.82 O ATOM 1332 CB ALA A 85 -8.794 -16.890 -1.743 1.00 5.59 C ATOM 0 H ALA A 85 -6.795 -14.937 -2.196 1.00 3.26 H new ATOM 0 HA ALA A 85 -7.805 -16.546 0.126 1.00 4.66 H new ATOM 0 HB1 ALA A 85 -9.048 -17.920 -1.492 1.00 5.59 H new ATOM 0 HB2 ALA A 85 -9.637 -16.240 -1.506 1.00 5.59 H new ATOM 0 HB3 ALA A 85 -8.571 -16.821 -2.808 1.00 5.59 H new TER 1338 ALA A 85