USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 804 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 26 THR OG1 : rot -37:sc= 0.321 USER MOD Set 1.2: A 38 THR OG1 : rot -61:sc= 0.714 USER MOD Single : A 4 GLN : amide:sc= 0.189 K(o=0.19,f=-7.7!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 1.2 (180deg=1.19) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0645 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.4!) USER MOD Single : A 21 ASN : amide:sc= 0.367 K(o=0.37,f=-4.6!) USER MOD Single : A 22 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.114 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -5:sc= 1.08 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 32 HIS : no HD1:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.37) USER MOD Single : A 54 GLN : amide:sc= 0.249 X(o=0.25,f=-0.085) USER MOD Single : A 60 THR OG1 : rot 72:sc= 2.1 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.265 K(o=0.27,f=-0.93) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0527 USER MOD Single : A 70 THR OG1 : rot -93:sc= 0.0923 USER MOD Single : A 76 SER OG : rot 180:sc=7.78e-05 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -44:sc= 0.0656 USER MOD Single : A 85 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.014) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -169:sc=-0.00951 (180deg=-0.135) USER MOD Single : A 93 SER OG : rot 180:sc= -0.907 USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= 1.42 (180deg=1.01!) USER MOD Single : A 96 MET CE :methyl 153:sc= -0.195 (180deg=-1.76) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0374 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 18.413 -11.559 17.110 1.00 0.86 N ATOM 21 CA ALA A 2 17.232 -11.198 16.339 1.00 0.87 C ATOM 22 C ALA A 2 17.621 -10.543 15.019 1.00 0.72 C ATOM 23 O ALA A 2 17.576 -9.318 14.880 1.00 0.87 O ATOM 24 CB ALA A 2 16.324 -10.281 17.147 1.00 1.10 C ATOM 0 HA ALA A 2 16.684 -12.112 16.113 1.00 0.87 H new ATOM 0 HB1 ALA A 2 15.447 -10.022 16.554 1.00 1.10 H new ATOM 0 HB2 ALA A 2 16.009 -10.791 18.057 1.00 1.10 H new ATOM 0 HB3 ALA A 2 16.865 -9.372 17.409 1.00 1.10 H new ATOM 30 N ALA A 3 18.022 -11.366 14.061 1.00 0.71 N ATOM 31 CA ALA A 3 18.413 -10.882 12.747 1.00 0.72 C ATOM 32 C ALA A 3 17.688 -11.654 11.652 1.00 0.70 C ATOM 33 O ALA A 3 18.085 -11.624 10.485 1.00 1.05 O ATOM 34 CB ALA A 3 19.921 -10.995 12.569 1.00 0.96 C ATOM 0 H ALA A 3 18.085 -12.378 14.171 1.00 0.71 H new ATOM 0 HA ALA A 3 18.131 -9.832 12.669 1.00 0.72 H new ATOM 0 HB1 ALA A 3 20.199 -10.629 11.581 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.423 -10.399 13.331 1.00 0.96 H new ATOM 0 HB3 ALA A 3 20.222 -12.038 12.668 1.00 0.96 H new ATOM 40 N GLN A 4 16.616 -12.344 12.036 1.00 0.66 N ATOM 41 CA GLN A 4 15.832 -13.136 11.096 1.00 0.68 C ATOM 42 C GLN A 4 15.171 -12.252 10.038 1.00 0.66 C ATOM 43 O GLN A 4 14.464 -11.294 10.357 1.00 0.81 O ATOM 44 CB GLN A 4 14.765 -13.961 11.835 1.00 0.83 C ATOM 45 CG GLN A 4 13.766 -13.128 12.630 1.00 0.97 C ATOM 46 CD GLN A 4 14.131 -13.007 14.096 1.00 1.33 C ATOM 47 OE1 GLN A 4 15.304 -13.074 14.467 1.00 1.79 O ATOM 48 NE2 GLN A 4 13.130 -12.822 14.940 1.00 1.63 N ATOM 0 H GLN A 4 16.271 -12.369 12.996 1.00 0.66 H new ATOM 0 HA GLN A 4 16.517 -13.817 10.591 1.00 0.68 H new ATOM 0 HB2 GLN A 4 14.220 -14.563 11.108 1.00 0.83 H new ATOM 0 HB3 GLN A 4 15.264 -14.654 12.513 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.703 -12.131 12.193 1.00 0.97 H new ATOM 0 HG3 GLN A 4 12.776 -13.577 12.543 1.00 0.97 H new ATOM 0 HE21 GLN A 4 12.172 -12.772 14.592 1.00 1.63 H new ATOM 0 HE22 GLN A 4 13.316 -12.729 15.939 1.00 1.63 H new ATOM 57 N SER A 5 15.426 -12.569 8.780 1.00 0.71 N ATOM 58 CA SER A 5 14.852 -11.826 7.669 1.00 0.76 C ATOM 59 C SER A 5 14.165 -12.788 6.710 1.00 0.73 C ATOM 60 O SER A 5 14.793 -13.334 5.799 1.00 1.11 O ATOM 61 CB SER A 5 15.934 -11.024 6.948 1.00 0.98 C ATOM 62 OG SER A 5 16.662 -10.231 7.869 1.00 1.18 O ATOM 0 H SER A 5 16.031 -13.341 8.500 1.00 0.71 H new ATOM 0 HA SER A 5 14.112 -11.124 8.053 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.611 -11.702 6.428 1.00 0.98 H new ATOM 0 HB3 SER A 5 15.478 -10.386 6.191 1.00 0.98 H new ATOM 0 HG SER A 5 17.352 -9.725 7.391 1.00 1.18 H new ATOM 68 N ASP A 6 12.880 -13.006 6.929 1.00 0.62 N ATOM 69 CA ASP A 6 12.109 -13.924 6.104 1.00 0.68 C ATOM 70 C ASP A 6 11.269 -13.173 5.080 1.00 0.58 C ATOM 71 O ASP A 6 10.766 -12.084 5.358 1.00 0.80 O ATOM 72 CB ASP A 6 11.193 -14.776 6.986 1.00 0.89 C ATOM 73 CG ASP A 6 11.630 -16.224 7.070 1.00 1.54 C ATOM 74 OD1 ASP A 6 12.587 -16.521 7.823 1.00 2.18 O ATOM 75 OD2 ASP A 6 11.005 -17.076 6.404 1.00 1.98 O ATOM 0 H ASP A 6 12.346 -12.559 7.674 1.00 0.62 H new ATOM 0 HA ASP A 6 12.811 -14.566 5.572 1.00 0.68 H new ATOM 0 HB2 ASP A 6 11.167 -14.352 7.990 1.00 0.89 H new ATOM 0 HB3 ASP A 6 10.177 -14.731 6.594 1.00 0.89 H new ATOM 80 N LYS A 7 11.135 -13.747 3.895 1.00 0.54 N ATOM 81 CA LYS A 7 10.330 -13.146 2.842 1.00 0.58 C ATOM 82 C LYS A 7 9.000 -13.878 2.749 1.00 0.53 C ATOM 83 O LYS A 7 8.967 -15.113 2.741 1.00 0.85 O ATOM 84 CB LYS A 7 11.055 -13.204 1.494 1.00 0.81 C ATOM 85 CG LYS A 7 12.380 -12.453 1.466 1.00 1.05 C ATOM 86 CD LYS A 7 12.186 -10.952 1.638 1.00 1.24 C ATOM 87 CE LYS A 7 13.469 -10.189 1.340 1.00 1.58 C ATOM 88 NZ LYS A 7 13.321 -8.730 1.592 1.00 1.91 N ATOM 0 H LYS A 7 11.574 -14.631 3.637 1.00 0.54 H new ATOM 0 HA LYS A 7 10.159 -12.098 3.087 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.236 -14.247 1.236 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.401 -12.794 0.724 1.00 0.81 H new ATOM 0 HG2 LYS A 7 13.027 -12.829 2.259 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.888 -12.648 0.521 1.00 1.05 H new ATOM 0 HD2 LYS A 7 11.393 -10.607 0.974 1.00 1.24 H new ATOM 0 HD3 LYS A 7 11.863 -10.740 2.657 1.00 1.24 H new ATOM 0 HE2 LYS A 7 14.277 -10.583 1.956 1.00 1.58 H new ATOM 0 HE3 LYS A 7 13.754 -10.350 0.300 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 14.222 -8.250 1.393 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 12.579 -8.344 0.973 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 13.058 -8.574 2.586 1.00 1.91 H new ATOM 102 N ASP A 8 7.913 -13.130 2.697 1.00 0.50 N ATOM 103 CA ASP A 8 6.584 -13.724 2.617 1.00 0.54 C ATOM 104 C ASP A 8 5.687 -12.895 1.711 1.00 0.51 C ATOM 105 O ASP A 8 6.074 -11.820 1.252 1.00 0.83 O ATOM 106 CB ASP A 8 5.962 -13.825 4.014 1.00 0.75 C ATOM 107 CG ASP A 8 5.077 -15.047 4.183 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.237 -15.319 3.298 1.00 1.72 O ATOM 109 OD2 ASP A 8 5.218 -15.746 5.212 1.00 1.44 O ATOM 0 H ASP A 8 7.921 -12.110 2.709 1.00 0.50 H new ATOM 0 HA ASP A 8 6.679 -14.726 2.198 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.758 -13.854 4.759 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.375 -12.928 4.210 1.00 0.75 H new ATOM 114 N VAL A 9 4.490 -13.399 1.466 1.00 0.39 N ATOM 115 CA VAL A 9 3.519 -12.724 0.621 1.00 0.35 C ATOM 116 C VAL A 9 2.113 -13.252 0.913 1.00 0.33 C ATOM 117 O VAL A 9 1.713 -14.319 0.438 1.00 0.44 O ATOM 118 CB VAL A 9 3.864 -12.869 -0.889 1.00 0.44 C ATOM 119 CG1 VAL A 9 4.145 -14.320 -1.261 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.758 -12.288 -1.762 1.00 0.47 C ATOM 0 H VAL A 9 4.163 -14.287 1.847 1.00 0.39 H new ATOM 0 HA VAL A 9 3.553 -11.660 0.855 1.00 0.35 H new ATOM 0 HB VAL A 9 4.775 -12.299 -1.073 1.00 0.44 H new ATOM 0 HG11 VAL A 9 4.382 -14.384 -2.323 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.989 -14.688 -0.678 1.00 0.55 H new ATOM 0 HG13 VAL A 9 3.265 -14.927 -1.049 1.00 0.55 H new ATOM 0 HG21 VAL A 9 3.025 -12.403 -2.812 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.824 -12.815 -1.565 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.632 -11.230 -1.533 1.00 0.47 H new ATOM 130 N LYS A 10 1.381 -12.520 1.736 1.00 0.30 N ATOM 131 CA LYS A 10 0.025 -12.903 2.098 1.00 0.34 C ATOM 132 C LYS A 10 -0.984 -12.124 1.264 1.00 0.34 C ATOM 133 O LYS A 10 -0.840 -10.919 1.063 1.00 0.48 O ATOM 134 CB LYS A 10 -0.214 -12.648 3.588 1.00 0.42 C ATOM 135 CG LYS A 10 0.715 -13.432 4.506 1.00 0.93 C ATOM 136 CD LYS A 10 0.467 -13.096 5.967 1.00 0.98 C ATOM 137 CE LYS A 10 1.345 -13.929 6.886 1.00 1.27 C ATOM 138 NZ LYS A 10 1.104 -13.611 8.317 1.00 1.97 N ATOM 0 H LYS A 10 1.704 -11.654 2.168 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.103 -13.967 1.898 1.00 0.34 H new ATOM 0 HB2 LYS A 10 -0.093 -11.583 3.788 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -1.246 -12.902 3.829 1.00 0.42 H new ATOM 0 HG2 LYS A 10 0.569 -14.500 4.347 1.00 0.93 H new ATOM 0 HG3 LYS A 10 1.752 -13.211 4.251 1.00 0.93 H new ATOM 0 HD2 LYS A 10 0.663 -12.037 6.136 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -0.582 -13.269 6.208 1.00 0.98 H new ATOM 0 HE2 LYS A 10 1.152 -14.988 6.711 1.00 1.27 H new ATOM 0 HE3 LYS A 10 2.393 -13.752 6.646 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 1.721 -14.199 8.912 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 1.312 -12.607 8.489 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 0.110 -13.804 8.553 1.00 1.97 H new ATOM 152 N TYR A 11 -1.998 -12.809 0.770 1.00 0.34 N ATOM 153 CA TYR A 11 -3.019 -12.166 -0.042 1.00 0.35 C ATOM 154 C TYR A 11 -4.110 -11.586 0.845 1.00 0.33 C ATOM 155 O TYR A 11 -4.924 -12.315 1.421 1.00 0.39 O ATOM 156 CB TYR A 11 -3.601 -13.151 -1.059 1.00 0.43 C ATOM 157 CG TYR A 11 -2.638 -13.479 -2.179 1.00 0.50 C ATOM 158 CD1 TYR A 11 -2.600 -12.711 -3.336 1.00 0.81 C ATOM 159 CD2 TYR A 11 -1.758 -14.551 -2.071 1.00 0.85 C ATOM 160 CE1 TYR A 11 -1.713 -13.002 -4.355 1.00 0.95 C ATOM 161 CE2 TYR A 11 -0.870 -14.847 -3.087 1.00 0.96 C ATOM 162 CZ TYR A 11 -0.851 -14.069 -4.224 1.00 0.83 C ATOM 163 OH TYR A 11 0.031 -14.361 -5.238 1.00 1.03 O ATOM 0 H TYR A 11 -2.138 -13.809 0.915 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.559 -11.348 -0.596 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.881 -14.071 -0.547 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.514 -12.731 -1.482 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -3.274 -11.874 -3.441 1.00 0.81 H new ATOM 0 HD2 TYR A 11 -1.769 -15.161 -1.180 1.00 0.85 H new ATOM 0 HE1 TYR A 11 -1.696 -12.396 -5.249 1.00 0.95 H new ATOM 0 HE2 TYR A 11 -0.194 -15.684 -2.991 1.00 0.96 H new ATOM 0 HH TYR A 11 0.569 -15.141 -4.989 1.00 1.03 H new ATOM 173 N TYR A 12 -4.119 -10.268 0.954 1.00 0.37 N ATOM 174 CA TYR A 12 -5.092 -9.574 1.783 1.00 0.41 C ATOM 175 C TYR A 12 -6.295 -9.125 0.963 1.00 0.42 C ATOM 176 O TYR A 12 -6.253 -9.104 -0.268 1.00 0.45 O ATOM 177 CB TYR A 12 -4.448 -8.359 2.455 1.00 0.45 C ATOM 178 CG TYR A 12 -3.360 -8.708 3.446 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.677 -9.151 4.723 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.020 -8.592 3.106 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.688 -9.470 5.634 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.024 -8.908 4.010 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.364 -9.347 5.274 1.00 0.82 C ATOM 184 OH TYR A 12 -0.378 -9.670 6.180 1.00 1.02 O ATOM 0 H TYR A 12 -3.460 -9.654 0.476 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.435 -10.272 2.547 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.030 -7.710 1.685 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.222 -7.787 2.967 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.714 -9.248 5.009 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.751 -8.249 2.118 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.952 -9.814 6.623 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.015 -8.812 3.729 1.00 0.82 H new ATOM 0 HH TYR A 12 0.501 -9.529 5.771 1.00 1.02 H new ATOM 194 N THR A 13 -7.367 -8.781 1.654 1.00 0.47 N ATOM 195 CA THR A 13 -8.577 -8.322 1.007 1.00 0.51 C ATOM 196 C THR A 13 -8.569 -6.797 0.893 1.00 0.47 C ATOM 197 O THR A 13 -7.981 -6.109 1.735 1.00 0.46 O ATOM 198 CB THR A 13 -9.811 -8.789 1.793 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.396 -9.355 3.048 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.600 -9.821 0.999 1.00 0.86 C ATOM 0 H THR A 13 -7.421 -8.812 2.672 1.00 0.47 H new ATOM 0 HA THR A 13 -8.620 -8.748 0.005 1.00 0.51 H new ATOM 0 HB THR A 13 -10.455 -7.928 1.973 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.184 -9.651 3.550 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.469 -10.137 1.576 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.929 -9.382 0.057 1.00 0.86 H new ATOM 0 HG23 THR A 13 -9.967 -10.684 0.795 1.00 0.86 H new ATOM 208 N LEU A 14 -9.213 -6.277 -0.146 1.00 0.50 N ATOM 209 CA LEU A 14 -9.271 -4.836 -0.385 1.00 0.51 C ATOM 210 C LEU A 14 -9.899 -4.096 0.795 1.00 0.48 C ATOM 211 O LEU A 14 -9.404 -3.056 1.224 1.00 0.51 O ATOM 212 CB LEU A 14 -10.067 -4.548 -1.661 1.00 0.58 C ATOM 213 CG LEU A 14 -10.240 -3.065 -2.005 1.00 0.73 C ATOM 214 CD1 LEU A 14 -8.956 -2.494 -2.585 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.396 -2.874 -2.974 1.00 0.95 C ATOM 0 H LEU A 14 -9.706 -6.836 -0.842 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.249 -4.477 -0.503 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -9.573 -5.043 -2.497 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.055 -4.999 -1.563 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.468 -2.525 -1.086 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.101 -1.440 -2.822 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.151 -2.595 -1.857 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.694 -3.037 -3.493 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.504 -1.815 -3.207 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.198 -3.429 -3.891 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.316 -3.241 -2.520 1.00 0.95 H new ATOM 227 N GLU A 15 -10.972 -4.657 1.332 1.00 0.50 N ATOM 228 CA GLU A 15 -11.687 -4.048 2.451 1.00 0.53 C ATOM 229 C GLU A 15 -10.853 -4.060 3.733 1.00 0.51 C ATOM 230 O GLU A 15 -11.107 -3.280 4.650 1.00 0.61 O ATOM 231 CB GLU A 15 -13.020 -4.770 2.690 1.00 0.61 C ATOM 232 CG GLU A 15 -12.901 -6.287 2.745 1.00 0.67 C ATOM 233 CD GLU A 15 -13.056 -6.939 1.384 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.064 -6.991 0.625 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.169 -7.402 1.062 1.00 1.05 O ATOM 0 H GLU A 15 -11.371 -5.539 1.011 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.880 -3.008 2.186 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.451 -4.415 3.626 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.716 -4.499 1.896 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -11.931 -6.556 3.163 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.660 -6.682 3.421 1.00 0.67 H new ATOM 242 N GLU A 16 -9.849 -4.924 3.784 1.00 0.46 N ATOM 243 CA GLU A 16 -9.000 -5.033 4.964 1.00 0.50 C ATOM 244 C GLU A 16 -7.854 -4.026 4.914 1.00 0.46 C ATOM 245 O GLU A 16 -7.615 -3.296 5.880 1.00 0.51 O ATOM 246 CB GLU A 16 -8.444 -6.454 5.088 1.00 0.58 C ATOM 247 CG GLU A 16 -7.621 -6.683 6.349 1.00 1.05 C ATOM 248 CD GLU A 16 -8.387 -6.364 7.619 1.00 1.60 C ATOM 249 OE1 GLU A 16 -9.559 -6.768 7.729 1.00 2.19 O ATOM 250 OE2 GLU A 16 -7.808 -5.721 8.524 1.00 2.32 O ATOM 0 H GLU A 16 -9.602 -5.559 3.025 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.611 -4.810 5.839 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.273 -7.161 5.073 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.825 -6.670 4.217 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.293 -7.722 6.379 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.723 -6.067 6.308 1.00 1.05 H new ATOM 257 N ILE A 17 -7.162 -3.975 3.783 1.00 0.42 N ATOM 258 CA ILE A 17 -6.031 -3.064 3.625 1.00 0.44 C ATOM 259 C ILE A 17 -6.465 -1.597 3.697 1.00 0.43 C ATOM 260 O ILE A 17 -5.690 -0.738 4.114 1.00 0.48 O ATOM 261 CB ILE A 17 -5.259 -3.320 2.310 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.203 -3.349 1.106 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.484 -4.624 2.403 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.288 -2.033 0.367 1.00 0.98 C ATOM 0 H ILE A 17 -7.361 -4.550 2.964 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.360 -3.267 4.460 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.558 -2.498 2.166 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -5.871 -4.123 0.414 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.200 -3.630 1.444 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.944 -4.794 1.471 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.774 -4.567 3.228 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.177 -5.447 2.576 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -6.976 -2.131 -0.473 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.650 -1.259 1.043 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.300 -1.759 -0.003 1.00 0.98 H new ATOM 276 N LYS A 18 -7.709 -1.312 3.311 1.00 0.42 N ATOM 277 CA LYS A 18 -8.215 0.058 3.342 1.00 0.48 C ATOM 278 C LYS A 18 -8.912 0.354 4.666 1.00 0.50 C ATOM 279 O LYS A 18 -9.498 1.421 4.852 1.00 0.63 O ATOM 280 CB LYS A 18 -9.170 0.322 2.174 1.00 0.56 C ATOM 281 CG LYS A 18 -10.495 -0.415 2.277 1.00 0.53 C ATOM 282 CD LYS A 18 -11.601 0.327 1.546 1.00 0.87 C ATOM 283 CE LYS A 18 -11.328 0.418 0.053 1.00 1.05 C ATOM 284 NZ LYS A 18 -11.879 1.667 -0.534 1.00 1.48 N ATOM 0 H LYS A 18 -8.378 -2.005 2.976 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.358 0.725 3.244 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.366 1.393 2.114 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.678 0.035 1.245 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.389 -1.416 1.860 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.766 -0.534 3.326 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.551 -0.181 1.712 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.700 1.331 1.959 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.253 0.377 -0.123 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.766 -0.444 -0.450 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.673 1.692 -1.553 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.908 1.694 -0.388 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -11.442 2.490 -0.072 1.00 1.48 H new ATOM 298 N LYS A 19 -8.858 -0.601 5.580 1.00 0.47 N ATOM 299 CA LYS A 19 -9.470 -0.436 6.887 1.00 0.53 C ATOM 300 C LYS A 19 -8.388 -0.325 7.947 1.00 0.54 C ATOM 301 O LYS A 19 -8.537 0.379 8.944 1.00 0.67 O ATOM 302 CB LYS A 19 -10.391 -1.610 7.205 1.00 0.60 C ATOM 303 CG LYS A 19 -11.219 -1.405 8.462 1.00 0.84 C ATOM 304 CD LYS A 19 -12.678 -1.129 8.138 1.00 1.09 C ATOM 305 CE LYS A 19 -13.369 -2.376 7.616 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.836 -2.186 7.472 1.00 1.68 N ATOM 0 H LYS A 19 -8.396 -1.499 5.440 1.00 0.47 H new ATOM 0 HA LYS A 19 -10.067 0.476 6.880 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -11.061 -1.776 6.361 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.791 -2.513 7.318 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.148 -2.291 9.093 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.810 -0.573 9.035 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -13.191 -0.773 9.031 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -12.744 -0.335 7.394 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -12.943 -2.648 6.650 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.177 -3.207 8.295 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.266 -3.062 7.113 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -15.248 -1.952 8.398 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -15.022 -1.411 6.804 1.00 1.68 H new ATOM 320 N HIS A 20 -7.284 -1.016 7.706 1.00 0.55 N ATOM 321 CA HIS A 20 -6.157 -1.009 8.626 1.00 0.59 C ATOM 322 C HIS A 20 -5.207 0.140 8.315 1.00 0.58 C ATOM 323 O HIS A 20 -4.137 0.238 8.910 1.00 0.66 O ATOM 324 CB HIS A 20 -5.401 -2.338 8.556 1.00 0.68 C ATOM 325 CG HIS A 20 -5.446 -3.122 9.831 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.194 -4.269 9.986 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.829 -2.916 11.020 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.037 -4.733 11.211 1.00 1.07 C ATOM 329 NE2 HIS A 20 -5.211 -3.933 11.859 1.00 1.13 N ATOM 0 H HIS A 20 -7.144 -1.592 6.876 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.549 -0.873 9.634 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.821 -2.943 7.752 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.361 -2.141 8.297 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.778 -4.693 9.266 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -4.161 -2.103 11.262 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -6.505 -5.618 11.615 1.00 1.07 H new ATOM 338 N ASN A 21 -5.610 1.010 7.394 1.00 0.58 N ATOM 339 CA ASN A 21 -4.797 2.160 6.989 1.00 0.61 C ATOM 340 C ASN A 21 -4.744 3.210 8.101 1.00 0.60 C ATOM 341 O ASN A 21 -5.383 4.261 8.036 1.00 0.75 O ATOM 342 CB ASN A 21 -5.330 2.767 5.674 1.00 0.72 C ATOM 343 CG ASN A 21 -6.784 3.217 5.749 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.541 2.789 6.620 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.188 4.069 4.819 1.00 0.88 N ATOM 0 H ASN A 21 -6.504 0.942 6.908 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.779 1.813 6.811 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.709 3.620 5.401 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -5.228 2.030 4.877 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.155 4.392 4.809 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.532 4.402 4.113 1.00 0.88 H new ATOM 352 N HIS A 22 -3.972 2.914 9.132 1.00 0.64 N ATOM 353 CA HIS A 22 -3.839 3.810 10.267 1.00 0.76 C ATOM 354 C HIS A 22 -2.386 4.219 10.465 1.00 0.88 C ATOM 355 O HIS A 22 -1.510 3.790 9.714 1.00 1.61 O ATOM 356 CB HIS A 22 -4.402 3.151 11.532 1.00 0.83 C ATOM 357 CG HIS A 22 -5.897 3.034 11.518 1.00 0.87 C ATOM 358 ND1 HIS A 22 -6.731 3.924 12.157 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.708 2.137 10.909 1.00 1.17 C ATOM 360 CE1 HIS A 22 -7.988 3.581 11.940 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.004 2.498 11.183 1.00 1.09 N ATOM 0 H HIS A 22 -3.425 2.056 9.206 1.00 0.64 H new ATOM 0 HA HIS A 22 -4.415 4.713 10.066 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -3.967 2.158 11.642 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -4.097 3.731 12.403 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.393 1.291 10.316 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -8.857 4.099 12.318 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.839 2.012 10.857 1.00 1.09 H new ATOM 370 N SER A 23 -2.134 5.035 11.482 1.00 0.60 N ATOM 371 CA SER A 23 -0.790 5.536 11.781 1.00 0.62 C ATOM 372 C SER A 23 0.218 4.419 12.075 1.00 0.52 C ATOM 373 O SER A 23 1.420 4.604 11.897 1.00 0.62 O ATOM 374 CB SER A 23 -0.864 6.483 12.974 1.00 0.84 C ATOM 375 OG SER A 23 -2.160 7.050 13.090 1.00 1.32 O ATOM 0 H SER A 23 -2.852 5.370 12.124 1.00 0.60 H new ATOM 0 HA SER A 23 -0.434 6.055 10.891 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.615 5.943 13.888 1.00 0.84 H new ATOM 0 HB3 SER A 23 -0.124 7.276 12.861 1.00 0.84 H new ATOM 0 HG SER A 23 -2.185 7.653 13.862 1.00 1.32 H new ATOM 381 N LYS A 24 -0.262 3.269 12.530 1.00 0.51 N ATOM 382 CA LYS A 24 0.630 2.160 12.847 1.00 0.51 C ATOM 383 C LYS A 24 0.472 1.008 11.858 1.00 0.44 C ATOM 384 O LYS A 24 0.918 -0.112 12.118 1.00 0.45 O ATOM 385 CB LYS A 24 0.396 1.681 14.283 1.00 0.71 C ATOM 386 CG LYS A 24 -1.043 1.282 14.590 1.00 0.97 C ATOM 387 CD LYS A 24 -1.310 1.290 16.088 1.00 1.41 C ATOM 388 CE LYS A 24 -0.343 0.386 16.832 1.00 1.88 C ATOM 389 NZ LYS A 24 -0.375 0.619 18.297 1.00 2.36 N ATOM 0 H LYS A 24 -1.252 3.080 12.687 1.00 0.51 H new ATOM 0 HA LYS A 24 1.655 2.522 12.762 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.046 0.828 14.478 1.00 0.71 H new ATOM 0 HB3 LYS A 24 0.695 2.473 14.970 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -1.727 1.969 14.093 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -1.241 0.288 14.188 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -1.224 2.308 16.468 1.00 1.41 H new ATOM 0 HD3 LYS A 24 -2.333 0.965 16.278 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -0.590 -0.656 16.626 1.00 1.88 H new ATOM 0 HE3 LYS A 24 0.668 0.554 16.461 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 0.300 -0.019 18.765 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -0.115 1.606 18.497 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -1.333 0.434 18.657 1.00 2.36 H new ATOM 403 N SER A 25 -0.161 1.288 10.730 1.00 0.43 N ATOM 404 CA SER A 25 -0.371 0.288 9.690 1.00 0.42 C ATOM 405 C SER A 25 -0.677 0.972 8.356 1.00 0.42 C ATOM 406 O SER A 25 -1.616 0.605 7.652 1.00 0.50 O ATOM 407 CB SER A 25 -1.506 -0.669 10.078 1.00 0.48 C ATOM 408 OG SER A 25 -1.143 -1.489 11.180 1.00 0.83 O ATOM 0 H SER A 25 -0.542 2.208 10.508 1.00 0.43 H new ATOM 0 HA SER A 25 0.543 -0.297 9.582 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.398 -0.094 10.329 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.761 -1.297 9.225 1.00 0.48 H new ATOM 0 HG SER A 25 -0.203 -1.332 11.409 1.00 0.83 H new ATOM 414 N THR A 26 0.118 1.980 8.022 1.00 0.42 N ATOM 415 CA THR A 26 -0.061 2.717 6.781 1.00 0.43 C ATOM 416 C THR A 26 0.439 1.901 5.589 1.00 0.36 C ATOM 417 O THR A 26 1.630 1.910 5.266 1.00 0.41 O ATOM 418 CB THR A 26 0.677 4.067 6.836 1.00 0.51 C ATOM 419 OG1 THR A 26 0.701 4.551 8.185 1.00 0.64 O ATOM 420 CG2 THR A 26 0.001 5.094 5.942 1.00 0.56 C ATOM 0 H THR A 26 0.895 2.306 8.596 1.00 0.42 H new ATOM 0 HA THR A 26 -1.127 2.905 6.656 1.00 0.43 H new ATOM 0 HB THR A 26 1.696 3.914 6.480 1.00 0.51 H new ATOM 0 HG1 THR A 26 -0.145 4.329 8.627 1.00 0.64 H new ATOM 0 HG21 THR A 26 0.542 6.039 5.999 1.00 0.56 H new ATOM 0 HG22 THR A 26 0.002 4.737 4.912 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.027 5.244 6.273 1.00 0.56 H new ATOM 428 N TRP A 27 -0.479 1.179 4.956 1.00 0.35 N ATOM 429 CA TRP A 27 -0.151 0.350 3.809 1.00 0.33 C ATOM 430 C TRP A 27 -0.509 1.059 2.512 1.00 0.32 C ATOM 431 O TRP A 27 -1.511 1.772 2.436 1.00 0.36 O ATOM 432 CB TRP A 27 -0.888 -0.990 3.895 1.00 0.38 C ATOM 433 CG TRP A 27 -0.424 -1.855 5.025 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.767 -1.770 5.686 1.00 0.43 C ATOM 435 CD2 TRP A 27 -1.137 -2.943 5.623 1.00 0.48 C ATOM 436 NE1 TRP A 27 0.841 -2.736 6.655 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.315 -3.474 6.636 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.388 -3.524 5.397 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.707 -4.554 7.424 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.777 -4.596 6.179 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.937 -5.102 7.179 1.00 0.71 C ATOM 0 H TRP A 27 -1.463 1.154 5.223 1.00 0.35 H new ATOM 0 HA TRP A 27 0.923 0.165 3.817 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.956 -0.802 4.007 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.756 -1.529 2.957 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.540 -1.046 5.476 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.628 -2.882 7.288 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -3.040 -3.142 4.625 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 -0.064 -4.944 8.199 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.743 -5.050 6.016 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -2.267 -5.943 7.770 1.00 0.71 H new ATOM 452 N LEU A 28 0.318 0.867 1.501 1.00 0.32 N ATOM 453 CA LEU A 28 0.099 1.481 0.199 1.00 0.33 C ATOM 454 C LEU A 28 0.181 0.435 -0.901 1.00 0.32 C ATOM 455 O LEU A 28 0.995 -0.490 -0.829 1.00 0.32 O ATOM 456 CB LEU A 28 1.130 2.584 -0.049 1.00 0.36 C ATOM 457 CG LEU A 28 0.621 4.009 0.169 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.778 4.950 0.454 1.00 0.85 C ATOM 459 CD2 LEU A 28 -0.162 4.480 -1.043 1.00 0.99 C ATOM 0 H LEU A 28 1.155 0.286 1.555 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.898 1.922 0.189 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.984 2.416 0.607 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.493 2.497 -1.073 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.043 4.011 1.033 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.397 5.960 0.606 1.00 0.85 H new ATOM 0 HD12 LEU A 28 2.302 4.621 1.351 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.467 4.946 -0.391 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.518 5.496 -0.874 1.00 0.99 H new ATOM 0 HD22 LEU A 28 0.483 4.463 -1.922 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -1.014 3.819 -1.205 1.00 0.99 H new ATOM 471 N ILE A 29 -0.666 0.577 -1.909 1.00 0.35 N ATOM 472 CA ILE A 29 -0.687 -0.356 -3.026 1.00 0.36 C ATOM 473 C ILE A 29 0.052 0.227 -4.225 1.00 0.36 C ATOM 474 O ILE A 29 -0.284 1.308 -4.712 1.00 0.39 O ATOM 475 CB ILE A 29 -2.128 -0.719 -3.445 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.863 -1.403 -2.289 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.126 -1.613 -4.680 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.338 -1.616 -2.554 1.00 0.80 C ATOM 0 H ILE A 29 -1.349 1.331 -1.977 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.187 -1.265 -2.691 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.653 0.203 -3.695 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.395 -2.367 -2.091 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.747 -0.801 -1.388 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.152 -1.855 -4.956 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.642 -1.092 -5.506 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.582 -2.532 -4.463 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.795 -2.105 -1.694 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.820 -0.653 -2.723 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.462 -2.244 -3.436 1.00 0.80 H new ATOM 490 N LEU A 30 1.068 -0.491 -4.676 1.00 0.34 N ATOM 491 CA LEU A 30 1.864 -0.079 -5.822 1.00 0.37 C ATOM 492 C LEU A 30 2.052 -1.256 -6.767 1.00 0.38 C ATOM 493 O LEU A 30 2.599 -2.289 -6.379 1.00 0.38 O ATOM 494 CB LEU A 30 3.224 0.454 -5.374 1.00 0.38 C ATOM 495 CG LEU A 30 3.176 1.710 -4.503 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.557 2.048 -3.982 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.612 2.884 -5.284 1.00 0.48 C ATOM 0 H LEU A 30 1.364 -1.374 -4.259 1.00 0.34 H new ATOM 0 HA LEU A 30 1.337 0.721 -6.341 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.741 -0.332 -4.823 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.822 0.668 -6.260 1.00 0.38 H new ATOM 0 HG LEU A 30 2.521 1.510 -3.655 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.503 2.944 -3.364 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.934 1.218 -3.385 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.229 2.225 -4.821 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.587 3.767 -4.646 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.243 3.081 -6.151 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.601 2.648 -5.617 1.00 0.48 H new ATOM 509 N HIS A 31 1.583 -1.095 -8.003 1.00 0.41 N ATOM 510 CA HIS A 31 1.665 -2.140 -9.021 1.00 0.43 C ATOM 511 C HIS A 31 0.855 -3.352 -8.579 1.00 0.42 C ATOM 512 O HIS A 31 1.226 -4.495 -8.844 1.00 0.45 O ATOM 513 CB HIS A 31 3.123 -2.528 -9.317 1.00 0.47 C ATOM 514 CG HIS A 31 3.777 -1.666 -10.359 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.930 -2.053 -11.676 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.329 -0.431 -10.272 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.547 -1.098 -12.347 1.00 1.22 C ATOM 518 NE2 HIS A 31 4.799 -0.102 -11.520 1.00 1.18 N ATOM 0 H HIS A 31 1.136 -0.237 -8.326 1.00 0.41 H new ATOM 0 HA HIS A 31 1.244 -1.751 -9.948 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.700 -2.468 -8.394 1.00 0.47 H new ATOM 0 HB3 HIS A 31 3.154 -3.567 -9.646 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.388 0.182 -9.385 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.802 -1.127 -13.396 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.267 0.770 -11.767 1.00 1.18 H new ATOM 527 N HIS A 32 -0.253 -3.065 -7.887 1.00 0.42 N ATOM 528 CA HIS A 32 -1.176 -4.083 -7.378 1.00 0.44 C ATOM 529 C HIS A 32 -0.565 -4.895 -6.234 1.00 0.40 C ATOM 530 O HIS A 32 -1.026 -5.997 -5.927 1.00 0.44 O ATOM 531 CB HIS A 32 -1.654 -5.015 -8.502 1.00 0.52 C ATOM 532 CG HIS A 32 -2.575 -4.352 -9.481 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.656 -4.719 -10.808 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.462 -3.338 -9.322 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.549 -3.963 -11.420 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.052 -3.120 -10.541 1.00 0.97 N ATOM 0 H HIS A 32 -0.536 -2.111 -7.663 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.040 -3.551 -6.980 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -0.786 -5.401 -9.037 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.163 -5.872 -8.060 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -3.666 -2.802 -8.407 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -3.821 -4.025 -12.463 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -4.766 -2.418 -10.736 1.00 0.97 H new ATOM 545 N LYS A 33 0.460 -4.342 -5.595 1.00 0.37 N ATOM 546 CA LYS A 33 1.114 -5.009 -4.476 1.00 0.37 C ATOM 547 C LYS A 33 1.029 -4.140 -3.227 1.00 0.33 C ATOM 548 O LYS A 33 0.996 -2.914 -3.324 1.00 0.36 O ATOM 549 CB LYS A 33 2.574 -5.319 -4.810 1.00 0.40 C ATOM 550 CG LYS A 33 2.741 -6.255 -5.995 1.00 0.57 C ATOM 551 CD LYS A 33 4.138 -6.847 -6.043 1.00 0.79 C ATOM 552 CE LYS A 33 4.275 -7.861 -7.167 1.00 0.94 C ATOM 553 NZ LYS A 33 5.547 -8.621 -7.075 1.00 1.02 N ATOM 0 H LYS A 33 0.856 -3.433 -5.833 1.00 0.37 H new ATOM 0 HA LYS A 33 0.600 -5.951 -4.286 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.096 -4.385 -5.019 1.00 0.40 H new ATOM 0 HB3 LYS A 33 3.051 -5.763 -3.937 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.006 -7.058 -5.932 1.00 0.57 H new ATOM 0 HG3 LYS A 33 2.542 -5.713 -6.919 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.868 -6.049 -6.180 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.364 -7.326 -5.090 1.00 0.79 H new ATOM 0 HE2 LYS A 33 3.435 -8.554 -7.135 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.228 -7.347 -8.127 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 5.602 -9.302 -7.859 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 6.350 -7.962 -7.131 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 5.581 -9.132 -6.170 1.00 1.02 H new ATOM 567 N VAL A 34 0.992 -4.772 -2.060 1.00 0.30 N ATOM 568 CA VAL A 34 0.882 -4.044 -0.799 1.00 0.30 C ATOM 569 C VAL A 34 2.246 -3.889 -0.135 1.00 0.27 C ATOM 570 O VAL A 34 2.950 -4.875 0.104 1.00 0.28 O ATOM 571 CB VAL A 34 -0.081 -4.749 0.183 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.379 -3.858 1.381 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.369 -5.157 -0.519 1.00 0.35 C ATOM 0 H VAL A 34 1.036 -5.786 -1.959 1.00 0.30 H new ATOM 0 HA VAL A 34 0.482 -3.059 -1.038 1.00 0.30 H new ATOM 0 HB VAL A 34 0.408 -5.653 0.545 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.059 -4.375 2.059 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.550 -3.628 1.904 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.842 -2.932 1.040 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.030 -5.651 0.193 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.862 -4.271 -0.918 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.138 -5.842 -1.335 1.00 0.35 H new ATOM 583 N TYR A 35 2.617 -2.650 0.158 1.00 0.28 N ATOM 584 CA TYR A 35 3.890 -2.362 0.801 1.00 0.28 C ATOM 585 C TYR A 35 3.671 -1.674 2.144 1.00 0.30 C ATOM 586 O TYR A 35 2.809 -0.799 2.268 1.00 0.32 O ATOM 587 CB TYR A 35 4.759 -1.483 -0.102 1.00 0.31 C ATOM 588 CG TYR A 35 5.141 -2.151 -1.407 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.212 -3.032 -1.470 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.421 -1.910 -2.571 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.557 -3.651 -2.658 1.00 0.40 C ATOM 592 CE2 TYR A 35 4.760 -2.527 -3.758 1.00 0.47 C ATOM 593 CZ TYR A 35 5.827 -3.395 -3.797 1.00 0.41 C ATOM 594 OH TYR A 35 6.165 -4.008 -4.982 1.00 0.48 O ATOM 0 H TYR A 35 2.051 -1.825 -0.041 1.00 0.28 H new ATOM 0 HA TYR A 35 4.405 -3.307 0.974 1.00 0.28 H new ATOM 0 HB2 TYR A 35 4.225 -0.558 -0.319 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.666 -1.208 0.436 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.785 -3.237 -0.578 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.583 -1.229 -2.546 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.395 -4.332 -2.692 1.00 0.40 H new ATOM 0 HE2 TYR A 35 4.190 -2.329 -4.654 1.00 0.47 H new ATOM 0 HH TYR A 35 5.549 -3.719 -5.687 1.00 0.48 H new ATOM 604 N ASP A 36 4.446 -2.083 3.144 1.00 0.32 N ATOM 605 CA ASP A 36 4.347 -1.513 4.483 1.00 0.36 C ATOM 606 C ASP A 36 5.406 -0.437 4.683 1.00 0.38 C ATOM 607 O ASP A 36 6.607 -0.720 4.699 1.00 0.50 O ATOM 608 CB ASP A 36 4.514 -2.603 5.549 1.00 0.43 C ATOM 609 CG ASP A 36 4.131 -2.139 6.948 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.545 -1.029 7.358 1.00 1.28 O ATOM 611 OD2 ASP A 36 3.414 -2.896 7.645 1.00 0.90 O ATOM 0 H ASP A 36 5.154 -2.812 3.051 1.00 0.32 H new ATOM 0 HA ASP A 36 3.359 -1.065 4.587 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.902 -3.463 5.278 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.551 -2.939 5.556 1.00 0.43 H new ATOM 616 N LEU A 37 4.955 0.795 4.833 1.00 0.37 N ATOM 617 CA LEU A 37 5.852 1.921 5.044 1.00 0.43 C ATOM 618 C LEU A 37 5.300 2.809 6.150 1.00 0.37 C ATOM 619 O LEU A 37 5.547 4.015 6.178 1.00 0.40 O ATOM 620 CB LEU A 37 6.028 2.728 3.749 1.00 0.56 C ATOM 621 CG LEU A 37 4.770 3.435 3.233 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.150 4.676 2.438 1.00 0.86 C ATOM 623 CD2 LEU A 37 3.940 2.493 2.375 1.00 0.80 C ATOM 0 H LEU A 37 3.966 1.044 4.813 1.00 0.37 H new ATOM 0 HA LEU A 37 6.830 1.542 5.340 1.00 0.43 H new ATOM 0 HB2 LEU A 37 6.803 3.477 3.911 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.391 2.057 2.970 1.00 0.56 H new ATOM 0 HG LEU A 37 4.170 3.739 4.091 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.247 5.168 2.078 1.00 0.86 H new ATOM 0 HD12 LEU A 37 5.706 5.362 3.077 1.00 0.86 H new ATOM 0 HD13 LEU A 37 5.770 4.388 1.589 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.051 3.014 2.018 1.00 0.80 H new ATOM 0 HD22 LEU A 37 4.532 2.160 1.523 1.00 0.80 H new ATOM 0 HD23 LEU A 37 3.641 1.629 2.968 1.00 0.80 H new ATOM 635 N THR A 38 4.586 2.187 7.081 1.00 0.34 N ATOM 636 CA THR A 38 3.962 2.899 8.187 1.00 0.36 C ATOM 637 C THR A 38 4.978 3.665 9.038 1.00 0.38 C ATOM 638 O THR A 38 4.645 4.684 9.636 1.00 0.44 O ATOM 639 CB THR A 38 3.146 1.932 9.075 1.00 0.41 C ATOM 640 OG1 THR A 38 2.208 2.666 9.870 1.00 0.48 O ATOM 641 CG2 THR A 38 4.041 1.098 9.984 1.00 0.48 C ATOM 0 H THR A 38 4.425 1.180 7.090 1.00 0.34 H new ATOM 0 HA THR A 38 3.288 3.632 7.744 1.00 0.36 H new ATOM 0 HB THR A 38 2.616 1.251 8.410 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.690 3.292 10.449 1.00 0.48 H new ATOM 0 HG21 THR A 38 3.426 0.433 10.590 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.726 0.506 9.377 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.613 1.758 10.636 1.00 0.48 H new ATOM 649 N LYS A 39 6.217 3.189 9.086 1.00 0.39 N ATOM 650 CA LYS A 39 7.243 3.862 9.868 1.00 0.47 C ATOM 651 C LYS A 39 8.222 4.594 8.961 1.00 0.47 C ATOM 652 O LYS A 39 9.199 5.172 9.425 1.00 0.59 O ATOM 653 CB LYS A 39 7.986 2.867 10.766 1.00 0.56 C ATOM 654 CG LYS A 39 7.353 2.693 12.142 1.00 0.75 C ATOM 655 CD LYS A 39 7.312 4.009 12.906 1.00 0.92 C ATOM 656 CE LYS A 39 6.950 3.802 14.369 1.00 1.27 C ATOM 657 NZ LYS A 39 6.872 5.091 15.108 1.00 1.50 N ATOM 0 H LYS A 39 6.531 2.350 8.599 1.00 0.39 H new ATOM 0 HA LYS A 39 6.751 4.597 10.505 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.023 1.898 10.268 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.016 3.201 10.889 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.341 2.303 12.032 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.918 1.956 12.713 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.283 4.499 12.838 1.00 0.92 H new ATOM 0 HD3 LYS A 39 6.585 4.676 12.443 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.992 3.286 14.437 1.00 1.27 H new ATOM 0 HE3 LYS A 39 7.693 3.158 14.839 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 6.623 4.907 16.101 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 7.793 5.572 15.065 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 6.145 5.696 14.675 1.00 1.50 H new ATOM 671 N PHE A 40 7.935 4.592 7.668 1.00 0.40 N ATOM 672 CA PHE A 40 8.794 5.256 6.696 1.00 0.44 C ATOM 673 C PHE A 40 8.138 6.530 6.179 1.00 0.40 C ATOM 674 O PHE A 40 8.677 7.203 5.307 1.00 0.42 O ATOM 675 CB PHE A 40 9.102 4.320 5.527 1.00 0.52 C ATOM 676 CG PHE A 40 10.463 3.689 5.603 1.00 1.16 C ATOM 677 CD1 PHE A 40 10.691 2.593 6.416 1.00 1.66 C ATOM 678 CD2 PHE A 40 11.515 4.194 4.859 1.00 1.77 C ATOM 679 CE1 PHE A 40 11.946 2.014 6.488 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.771 3.619 4.926 1.00 2.45 C ATOM 681 CZ PHE A 40 12.986 2.527 5.742 1.00 2.68 C ATOM 0 H PHE A 40 7.114 4.138 7.266 1.00 0.40 H new ATOM 0 HA PHE A 40 9.727 5.520 7.194 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.348 3.534 5.494 1.00 0.52 H new ATOM 0 HB3 PHE A 40 9.021 4.879 4.594 1.00 0.52 H new ATOM 0 HD1 PHE A 40 9.880 2.185 7.001 1.00 1.66 H new ATOM 0 HD2 PHE A 40 11.353 5.048 4.218 1.00 1.77 H new ATOM 0 HE1 PHE A 40 12.111 1.160 7.129 1.00 2.39 H new ATOM 0 HE2 PHE A 40 13.583 4.024 4.340 1.00 2.45 H new ATOM 0 HZ PHE A 40 13.966 2.076 5.796 1.00 2.68 H new ATOM 691 N LEU A 41 6.974 6.853 6.733 1.00 0.39 N ATOM 692 CA LEU A 41 6.221 8.040 6.327 1.00 0.43 C ATOM 693 C LEU A 41 7.046 9.318 6.483 1.00 0.44 C ATOM 694 O LEU A 41 7.046 10.177 5.604 1.00 0.47 O ATOM 695 CB LEU A 41 4.936 8.160 7.152 1.00 0.49 C ATOM 696 CG LEU A 41 3.997 6.954 7.092 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.798 7.175 7.999 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.542 6.697 5.664 1.00 0.59 C ATOM 0 H LEU A 41 6.527 6.307 7.469 1.00 0.39 H new ATOM 0 HA LEU A 41 5.974 7.922 5.272 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.209 8.334 8.193 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.390 9.041 6.814 1.00 0.49 H new ATOM 0 HG LEU A 41 4.541 6.076 7.440 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.138 6.309 7.947 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.138 7.310 9.026 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.256 8.064 7.676 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.875 5.835 5.644 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.014 7.573 5.287 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.410 6.498 5.036 1.00 0.59 H new ATOM 710 N GLU A 42 7.758 9.430 7.596 1.00 0.49 N ATOM 711 CA GLU A 42 8.575 10.612 7.870 1.00 0.56 C ATOM 712 C GLU A 42 9.972 10.477 7.267 1.00 0.54 C ATOM 713 O GLU A 42 10.763 11.417 7.295 1.00 0.66 O ATOM 714 CB GLU A 42 8.689 10.840 9.377 1.00 0.67 C ATOM 715 CG GLU A 42 9.321 9.674 10.117 1.00 0.72 C ATOM 716 CD GLU A 42 10.029 10.107 11.380 1.00 0.93 C ATOM 717 OE1 GLU A 42 11.232 10.431 11.309 1.00 1.50 O ATOM 718 OE2 GLU A 42 9.383 10.133 12.447 1.00 1.40 O ATOM 0 H GLU A 42 7.789 8.718 8.326 1.00 0.49 H new ATOM 0 HA GLU A 42 8.082 11.467 7.408 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.279 11.738 9.557 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.695 11.024 9.785 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.550 8.946 10.368 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.031 9.172 9.460 1.00 0.72 H new ATOM 725 N GLU A 43 10.279 9.301 6.744 1.00 0.48 N ATOM 726 CA GLU A 43 11.582 9.058 6.141 1.00 0.50 C ATOM 727 C GLU A 43 11.504 9.252 4.633 1.00 0.43 C ATOM 728 O GLU A 43 12.512 9.509 3.969 1.00 0.54 O ATOM 729 CB GLU A 43 12.070 7.641 6.457 1.00 0.58 C ATOM 730 CG GLU A 43 12.090 7.312 7.942 1.00 0.76 C ATOM 731 CD GLU A 43 12.865 6.046 8.245 1.00 0.96 C ATOM 732 OE1 GLU A 43 12.262 4.955 8.243 1.00 1.56 O ATOM 733 OE2 GLU A 43 14.088 6.139 8.486 1.00 1.46 O ATOM 0 H GLU A 43 9.647 8.501 6.724 1.00 0.48 H new ATOM 0 HA GLU A 43 12.292 9.772 6.560 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.429 6.924 5.945 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.075 7.515 6.054 1.00 0.58 H new ATOM 0 HG2 GLU A 43 12.532 8.145 8.489 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.066 7.202 8.300 1.00 0.76 H new ATOM 740 N HIS A 44 10.292 9.135 4.110 1.00 0.43 N ATOM 741 CA HIS A 44 10.034 9.275 2.687 1.00 0.39 C ATOM 742 C HIS A 44 10.136 10.736 2.249 1.00 0.43 C ATOM 743 O HIS A 44 9.488 11.616 2.824 1.00 0.51 O ATOM 744 CB HIS A 44 8.641 8.725 2.360 1.00 0.41 C ATOM 745 CG HIS A 44 8.259 8.853 0.919 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.475 9.870 0.419 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.588 8.077 -0.143 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.355 9.686 -0.899 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.012 8.611 -1.289 1.00 0.41 N ATOM 0 H HIS A 44 9.458 8.940 4.664 1.00 0.43 H new ATOM 0 HA HIS A 44 10.788 8.707 2.143 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.601 7.673 2.644 1.00 0.41 H new ATOM 0 HB3 HIS A 44 7.903 9.248 2.969 1.00 0.41 H new ATOM 0 HD2 HIS A 44 9.199 7.187 -0.104 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.794 10.332 -1.558 1.00 0.40 H new ATOM 0 HE2 HIS A 44 8.083 8.246 -2.239 1.00 0.41 H new ATOM 757 N PRO A 45 10.955 11.010 1.221 1.00 0.44 N ATOM 758 CA PRO A 45 11.137 12.366 0.699 1.00 0.53 C ATOM 759 C PRO A 45 9.916 12.846 -0.084 1.00 0.62 C ATOM 760 O PRO A 45 9.606 12.324 -1.154 1.00 1.11 O ATOM 761 CB PRO A 45 12.347 12.226 -0.227 1.00 0.58 C ATOM 762 CG PRO A 45 12.329 10.802 -0.664 1.00 0.56 C ATOM 763 CD PRO A 45 11.759 10.017 0.482 1.00 0.44 C ATOM 0 HA PRO A 45 11.275 13.100 1.493 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.274 12.902 -1.079 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.274 12.468 0.293 1.00 0.58 H new ATOM 0 HG2 PRO A 45 11.722 10.678 -1.561 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.334 10.458 -0.910 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.146 9.186 0.133 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.545 9.593 1.107 1.00 0.44 H new ATOM 771 N GLY A 46 9.218 13.825 0.468 1.00 0.75 N ATOM 772 CA GLY A 46 8.037 14.358 -0.181 1.00 0.82 C ATOM 773 C GLY A 46 6.968 14.724 0.822 1.00 0.83 C ATOM 774 O GLY A 46 6.147 15.611 0.581 1.00 1.38 O ATOM 0 H GLY A 46 9.449 14.263 1.360 1.00 0.75 H new ATOM 0 HA2 GLY A 46 8.307 15.239 -0.763 1.00 0.82 H new ATOM 0 HA3 GLY A 46 7.643 13.622 -0.882 1.00 0.82 H new ATOM 778 N GLY A 47 6.982 14.044 1.958 1.00 0.66 N ATOM 779 CA GLY A 47 6.005 14.311 2.990 1.00 0.67 C ATOM 780 C GLY A 47 5.198 13.081 3.345 1.00 0.60 C ATOM 781 O GLY A 47 5.174 12.111 2.588 1.00 0.64 O ATOM 0 H GLY A 47 7.654 13.311 2.183 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.512 14.680 3.881 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.332 15.101 2.656 1.00 0.67 H new ATOM 785 N GLU A 48 4.533 13.122 4.490 1.00 0.61 N ATOM 786 CA GLU A 48 3.722 12.002 4.951 1.00 0.63 C ATOM 787 C GLU A 48 2.254 12.199 4.573 1.00 0.63 C ATOM 788 O GLU A 48 1.497 11.233 4.475 1.00 0.65 O ATOM 789 CB GLU A 48 3.849 11.844 6.470 1.00 0.76 C ATOM 790 CG GLU A 48 3.611 13.138 7.227 1.00 0.95 C ATOM 791 CD GLU A 48 2.993 12.924 8.590 1.00 1.21 C ATOM 792 OE1 GLU A 48 1.786 12.603 8.651 1.00 1.79 O ATOM 793 OE2 GLU A 48 3.701 13.083 9.605 1.00 1.86 O ATOM 0 H GLU A 48 4.539 13.923 5.121 1.00 0.61 H new ATOM 0 HA GLU A 48 4.088 11.098 4.464 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.136 11.094 6.812 1.00 0.76 H new ATOM 0 HB3 GLU A 48 4.844 11.469 6.708 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.559 13.663 7.343 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.960 13.783 6.637 1.00 0.95 H new ATOM 800 N GLU A 49 1.857 13.449 4.347 1.00 0.66 N ATOM 801 CA GLU A 49 0.476 13.759 3.999 1.00 0.74 C ATOM 802 C GLU A 49 0.085 13.103 2.684 1.00 0.68 C ATOM 803 O GLU A 49 -0.974 12.479 2.586 1.00 0.72 O ATOM 804 CB GLU A 49 0.265 15.271 3.919 1.00 0.86 C ATOM 805 CG GLU A 49 -1.160 15.662 3.574 1.00 1.10 C ATOM 806 CD GLU A 49 -1.558 17.004 4.146 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.550 17.153 5.390 1.00 1.69 O ATOM 808 OE2 GLU A 49 -1.902 17.912 3.362 1.00 1.81 O ATOM 0 H GLU A 49 2.472 14.261 4.399 1.00 0.66 H new ATOM 0 HA GLU A 49 -0.164 13.359 4.785 1.00 0.74 H new ATOM 0 HB2 GLU A 49 0.536 15.719 4.875 1.00 0.86 H new ATOM 0 HB3 GLU A 49 0.939 15.686 3.170 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -1.272 15.687 2.490 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -1.841 14.897 3.947 1.00 1.10 H new ATOM 815 N VAL A 50 0.960 13.215 1.692 1.00 0.63 N ATOM 816 CA VAL A 50 0.712 12.637 0.375 1.00 0.60 C ATOM 817 C VAL A 50 0.572 11.116 0.458 1.00 0.54 C ATOM 818 O VAL A 50 -0.042 10.488 -0.404 1.00 0.54 O ATOM 819 CB VAL A 50 1.835 12.999 -0.623 1.00 0.64 C ATOM 820 CG1 VAL A 50 1.863 14.500 -0.874 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.191 12.519 -0.120 1.00 0.62 C ATOM 0 H VAL A 50 1.852 13.703 1.775 1.00 0.63 H new ATOM 0 HA VAL A 50 -0.225 13.061 0.013 1.00 0.60 H new ATOM 0 HB VAL A 50 1.624 12.492 -1.564 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.660 14.736 -1.579 1.00 0.75 H new ATOM 0 HG12 VAL A 50 0.906 14.818 -1.288 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.043 15.023 0.065 1.00 0.75 H new ATOM 0 HG21 VAL A 50 3.963 12.787 -0.842 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.411 12.990 0.838 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.171 11.436 0.004 1.00 0.62 H new ATOM 831 N LEU A 51 1.131 10.535 1.512 1.00 0.52 N ATOM 832 CA LEU A 51 1.074 9.098 1.714 1.00 0.50 C ATOM 833 C LEU A 51 -0.175 8.708 2.496 1.00 0.53 C ATOM 834 O LEU A 51 -0.799 7.689 2.210 1.00 0.55 O ATOM 835 CB LEU A 51 2.322 8.619 2.460 1.00 0.48 C ATOM 836 CG LEU A 51 3.652 8.938 1.778 1.00 0.46 C ATOM 837 CD1 LEU A 51 4.814 8.549 2.676 1.00 0.49 C ATOM 838 CD2 LEU A 51 3.751 8.226 0.436 1.00 0.47 C ATOM 0 H LEU A 51 1.631 11.042 2.242 1.00 0.52 H new ATOM 0 HA LEU A 51 1.034 8.620 0.735 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.325 9.067 3.454 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.252 7.540 2.597 1.00 0.48 H new ATOM 0 HG LEU A 51 3.698 10.012 1.598 1.00 0.46 H new ATOM 0 HD11 LEU A 51 5.754 8.782 2.176 1.00 0.49 H new ATOM 0 HD12 LEU A 51 4.753 9.105 3.612 1.00 0.49 H new ATOM 0 HD13 LEU A 51 4.770 7.480 2.885 1.00 0.49 H new ATOM 0 HD21 LEU A 51 4.705 8.466 -0.034 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.683 7.149 0.590 1.00 0.47 H new ATOM 0 HD23 LEU A 51 2.936 8.553 -0.210 1.00 0.47 H new ATOM 850 N ARG A 52 -0.553 9.533 3.469 1.00 0.59 N ATOM 851 CA ARG A 52 -1.724 9.244 4.291 1.00 0.66 C ATOM 852 C ARG A 52 -3.018 9.413 3.496 1.00 0.65 C ATOM 853 O ARG A 52 -4.006 8.726 3.754 1.00 0.69 O ATOM 854 CB ARG A 52 -1.741 10.127 5.548 1.00 0.79 C ATOM 855 CG ARG A 52 -2.589 11.383 5.426 1.00 0.97 C ATOM 856 CD ARG A 52 -2.742 12.083 6.766 1.00 1.22 C ATOM 857 NE ARG A 52 -1.477 12.635 7.242 1.00 1.50 N ATOM 858 CZ ARG A 52 -1.161 13.927 7.186 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.032 14.814 6.718 1.00 2.00 N ATOM 860 NH2 ARG A 52 0.024 14.335 7.618 1.00 2.61 N ATOM 0 H ARG A 52 -0.070 10.400 3.706 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.658 8.202 4.604 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.109 9.536 6.387 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.718 10.417 5.787 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -2.131 12.064 4.709 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -3.573 11.123 5.036 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -3.476 12.884 6.675 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.129 11.378 7.501 1.00 1.22 H new ATOM 0 HE ARG A 52 -0.794 11.992 7.642 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.951 14.507 6.398 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -1.782 15.802 6.678 1.00 2.00 H new ATOM 0 HH21 ARG A 52 0.691 13.660 7.992 1.00 2.61 H new ATOM 0 HH22 ARG A 52 0.269 15.324 7.576 1.00 2.61 H new ATOM 874 N GLU A 53 -3.004 10.310 2.515 1.00 0.64 N ATOM 875 CA GLU A 53 -4.188 10.549 1.701 1.00 0.68 C ATOM 876 C GLU A 53 -4.339 9.467 0.635 1.00 0.65 C ATOM 877 O GLU A 53 -5.333 9.427 -0.088 1.00 0.78 O ATOM 878 CB GLU A 53 -4.142 11.941 1.063 1.00 0.72 C ATOM 879 CG GLU A 53 -3.009 12.137 0.076 1.00 0.67 C ATOM 880 CD GLU A 53 -3.114 13.456 -0.660 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.925 13.544 -1.606 1.00 1.35 O ATOM 882 OE2 GLU A 53 -2.397 14.414 -0.292 1.00 1.26 O ATOM 0 H GLU A 53 -2.194 10.878 2.267 1.00 0.64 H new ATOM 0 HA GLU A 53 -5.060 10.507 2.353 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -5.088 12.126 0.554 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -4.054 12.687 1.853 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -2.057 12.093 0.605 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -3.012 11.319 -0.645 1.00 0.67 H new ATOM 889 N GLN A 54 -3.346 8.590 0.543 1.00 0.57 N ATOM 890 CA GLN A 54 -3.373 7.493 -0.417 1.00 0.58 C ATOM 891 C GLN A 54 -3.265 6.162 0.318 1.00 0.57 C ATOM 892 O GLN A 54 -3.206 5.098 -0.299 1.00 0.60 O ATOM 893 CB GLN A 54 -2.226 7.629 -1.424 1.00 0.57 C ATOM 894 CG GLN A 54 -2.365 8.818 -2.365 1.00 0.64 C ATOM 895 CD GLN A 54 -3.533 8.678 -3.326 1.00 0.81 C ATOM 896 OE1 GLN A 54 -3.395 8.114 -4.409 1.00 1.13 O ATOM 897 NE2 GLN A 54 -4.689 9.192 -2.938 1.00 0.96 N ATOM 0 H GLN A 54 -2.508 8.618 1.125 1.00 0.57 H new ATOM 0 HA GLN A 54 -4.317 7.529 -0.961 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -1.286 7.718 -0.879 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -2.166 6.716 -2.016 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -2.492 9.727 -1.777 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -1.443 8.933 -2.936 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -4.764 9.653 -2.031 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -5.506 9.127 -3.546 1.00 0.96 H new ATOM 906 N ALA A 55 -3.253 6.238 1.645 1.00 0.58 N ATOM 907 CA ALA A 55 -3.139 5.056 2.490 1.00 0.60 C ATOM 908 C ALA A 55 -4.336 4.135 2.307 1.00 0.61 C ATOM 909 O ALA A 55 -5.479 4.541 2.513 1.00 0.68 O ATOM 910 CB ALA A 55 -3.006 5.464 3.949 1.00 0.65 C ATOM 0 H ALA A 55 -3.322 7.115 2.162 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.244 4.510 2.191 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.922 4.572 4.570 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.115 6.079 4.075 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.886 6.033 4.249 1.00 0.65 H new ATOM 916 N GLY A 56 -4.062 2.894 1.930 1.00 0.59 N ATOM 917 CA GLY A 56 -5.124 1.935 1.719 1.00 0.64 C ATOM 918 C GLY A 56 -5.680 2.007 0.313 1.00 0.62 C ATOM 919 O GLY A 56 -6.750 1.468 0.032 1.00 0.66 O ATOM 0 H GLY A 56 -3.121 2.535 1.767 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.748 0.930 1.909 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.925 2.117 2.436 1.00 0.64 H new ATOM 923 N GLY A 57 -4.960 2.687 -0.572 1.00 0.63 N ATOM 924 CA GLY A 57 -5.403 2.814 -1.944 1.00 0.65 C ATOM 925 C GLY A 57 -4.291 2.542 -2.933 1.00 0.59 C ATOM 926 O GLY A 57 -3.142 2.316 -2.544 1.00 0.55 O ATOM 0 H GLY A 57 -4.077 3.152 -0.362 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.224 2.120 -2.124 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.793 3.819 -2.106 1.00 0.65 H new ATOM 930 N ASP A 58 -4.635 2.561 -4.212 1.00 0.65 N ATOM 931 CA ASP A 58 -3.665 2.319 -5.270 1.00 0.62 C ATOM 932 C ASP A 58 -3.027 3.630 -5.706 1.00 0.61 C ATOM 933 O ASP A 58 -3.690 4.494 -6.289 1.00 0.71 O ATOM 934 CB ASP A 58 -4.331 1.630 -6.463 1.00 0.69 C ATOM 935 CG ASP A 58 -3.412 1.537 -7.664 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.235 1.175 -7.483 1.00 1.32 O ATOM 937 OD2 ASP A 58 -3.870 1.832 -8.788 1.00 1.51 O ATOM 0 H ASP A 58 -5.582 2.742 -4.543 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.887 1.661 -4.883 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.645 0.628 -6.171 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -5.231 2.179 -6.740 1.00 0.69 H new ATOM 942 N ALA A 59 -1.741 3.773 -5.422 1.00 0.55 N ATOM 943 CA ALA A 59 -1.019 4.989 -5.764 1.00 0.57 C ATOM 944 C ALA A 59 -0.035 4.753 -6.907 1.00 0.54 C ATOM 945 O ALA A 59 0.885 5.548 -7.117 1.00 0.54 O ATOM 946 CB ALA A 59 -0.293 5.533 -4.540 1.00 0.60 C ATOM 0 H ALA A 59 -1.177 3.063 -4.956 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.747 5.727 -6.101 1.00 0.57 H new ATOM 0 HB1 ALA A 59 0.243 6.443 -4.810 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.017 5.757 -3.757 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.415 4.789 -4.176 1.00 0.60 H new ATOM 952 N THR A 60 -0.236 3.669 -7.651 1.00 0.56 N ATOM 953 CA THR A 60 0.637 3.343 -8.775 1.00 0.57 C ATOM 954 C THR A 60 0.690 4.496 -9.775 1.00 0.57 C ATOM 955 O THR A 60 1.747 4.798 -10.331 1.00 0.58 O ATOM 956 CB THR A 60 0.177 2.059 -9.488 1.00 0.64 C ATOM 957 OG1 THR A 60 0.062 1.000 -8.531 1.00 0.67 O ATOM 958 CG2 THR A 60 1.159 1.656 -10.579 1.00 0.71 C ATOM 0 H THR A 60 -0.993 3.003 -7.497 1.00 0.56 H new ATOM 0 HA THR A 60 1.636 3.176 -8.372 1.00 0.57 H new ATOM 0 HB THR A 60 -0.790 2.249 -9.953 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.720 1.157 -7.962 1.00 0.67 H new ATOM 0 HG21 THR A 60 0.809 0.746 -11.066 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.233 2.456 -11.316 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.140 1.477 -10.138 1.00 0.71 H new ATOM 966 N GLU A 61 -0.452 5.155 -9.961 1.00 0.62 N ATOM 967 CA GLU A 61 -0.561 6.283 -10.879 1.00 0.67 C ATOM 968 C GLU A 61 0.438 7.381 -10.517 1.00 0.63 C ATOM 969 O GLU A 61 1.072 7.967 -11.390 1.00 0.74 O ATOM 970 CB GLU A 61 -1.987 6.847 -10.862 1.00 0.78 C ATOM 971 CG GLU A 61 -2.572 6.998 -9.465 1.00 0.83 C ATOM 972 CD GLU A 61 -3.712 7.992 -9.416 1.00 1.06 C ATOM 973 OE1 GLU A 61 -3.440 9.202 -9.280 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.881 7.566 -9.520 1.00 1.48 O ATOM 0 H GLU A 61 -1.322 4.923 -9.482 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.331 5.925 -11.883 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -1.989 7.820 -11.353 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.633 6.193 -11.448 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.926 6.028 -9.116 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.787 7.317 -8.779 1.00 0.83 H new ATOM 981 N ASN A 62 0.589 7.638 -9.222 1.00 0.56 N ATOM 982 CA ASN A 62 1.511 8.662 -8.740 1.00 0.55 C ATOM 983 C ASN A 62 2.945 8.153 -8.813 1.00 0.50 C ATOM 984 O ASN A 62 3.858 8.881 -9.200 1.00 0.50 O ATOM 985 CB ASN A 62 1.167 9.051 -7.299 1.00 0.58 C ATOM 986 CG ASN A 62 1.680 10.430 -6.926 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.862 10.618 -6.650 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.785 11.402 -6.901 1.00 1.32 N ATOM 0 H ASN A 62 0.083 7.149 -8.484 1.00 0.56 H new ATOM 0 HA ASN A 62 1.415 9.543 -9.374 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.085 9.023 -7.168 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.590 8.314 -6.617 1.00 0.58 H new ATOM 0 HD21 ASN A 62 1.067 12.348 -6.646 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.188 11.206 -7.137 1.00 1.32 H new ATOM 995 N PHE A 63 3.120 6.886 -8.461 1.00 0.48 N ATOM 996 CA PHE A 63 4.428 6.242 -8.473 1.00 0.46 C ATOM 997 C PHE A 63 5.061 6.311 -9.861 1.00 0.49 C ATOM 998 O PHE A 63 6.239 6.654 -10.002 1.00 0.50 O ATOM 999 CB PHE A 63 4.279 4.779 -8.034 1.00 0.48 C ATOM 1000 CG PHE A 63 5.569 4.003 -7.975 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.051 3.348 -9.099 1.00 0.70 C ATOM 1002 CD2 PHE A 63 6.290 3.918 -6.794 1.00 0.63 C ATOM 1003 CE1 PHE A 63 7.227 2.626 -9.047 1.00 0.77 C ATOM 1004 CE2 PHE A 63 7.470 3.198 -6.737 1.00 0.76 C ATOM 1005 CZ PHE A 63 7.938 2.551 -7.865 1.00 0.73 C ATOM 0 H PHE A 63 2.360 6.276 -8.159 1.00 0.48 H new ATOM 0 HA PHE A 63 5.083 6.769 -7.779 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.812 4.755 -7.049 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.599 4.275 -8.721 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.500 3.403 -10.026 1.00 0.70 H new ATOM 0 HD2 PHE A 63 5.927 4.419 -5.909 1.00 0.63 H new ATOM 0 HE1 PHE A 63 7.590 2.121 -9.929 1.00 0.77 H new ATOM 0 HE2 PHE A 63 8.025 3.142 -5.812 1.00 0.76 H new ATOM 0 HZ PHE A 63 8.858 1.988 -7.822 1.00 0.73 H new ATOM 1015 N GLU A 64 4.269 5.997 -10.880 1.00 0.53 N ATOM 1016 CA GLU A 64 4.746 6.006 -12.258 1.00 0.58 C ATOM 1017 C GLU A 64 4.759 7.422 -12.833 1.00 0.57 C ATOM 1018 O GLU A 64 5.399 7.681 -13.853 1.00 0.65 O ATOM 1019 CB GLU A 64 3.873 5.096 -13.124 1.00 0.69 C ATOM 1020 CG GLU A 64 2.478 5.646 -13.376 1.00 1.08 C ATOM 1021 CD GLU A 64 1.562 4.642 -14.039 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.016 3.916 -14.950 1.00 1.88 O ATOM 1023 OE2 GLU A 64 0.376 4.584 -13.662 1.00 1.89 O ATOM 0 H GLU A 64 3.289 5.732 -10.777 1.00 0.53 H new ATOM 0 HA GLU A 64 5.770 5.631 -12.261 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.369 4.935 -14.081 1.00 0.69 H new ATOM 0 HB3 GLU A 64 3.788 4.122 -12.642 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.040 5.960 -12.429 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.551 6.534 -14.004 1.00 1.08 H new ATOM 1030 N ASP A 65 4.044 8.329 -12.181 1.00 0.54 N ATOM 1031 CA ASP A 65 3.973 9.717 -12.625 1.00 0.55 C ATOM 1032 C ASP A 65 5.256 10.444 -12.266 1.00 0.53 C ATOM 1033 O ASP A 65 5.898 11.054 -13.117 1.00 0.58 O ATOM 1034 CB ASP A 65 2.787 10.429 -11.970 1.00 0.57 C ATOM 1035 CG ASP A 65 2.337 11.658 -12.735 1.00 0.69 C ATOM 1036 OD1 ASP A 65 3.010 12.708 -12.636 1.00 0.79 O ATOM 1037 OD2 ASP A 65 1.297 11.580 -13.427 1.00 0.88 O ATOM 0 H ASP A 65 3.503 8.129 -11.340 1.00 0.54 H new ATOM 0 HA ASP A 65 3.840 9.725 -13.707 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.952 9.733 -11.889 1.00 0.57 H new ATOM 0 HB3 ASP A 65 3.060 10.719 -10.955 1.00 0.57 H new ATOM 1042 N VAL A 66 5.622 10.350 -10.993 1.00 0.50 N ATOM 1043 CA VAL A 66 6.821 10.993 -10.475 1.00 0.52 C ATOM 1044 C VAL A 66 8.075 10.483 -11.181 1.00 0.50 C ATOM 1045 O VAL A 66 8.874 11.262 -11.702 1.00 0.55 O ATOM 1046 CB VAL A 66 6.961 10.755 -8.955 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.257 11.342 -8.425 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.772 11.341 -8.214 1.00 0.60 C ATOM 0 H VAL A 66 5.096 9.827 -10.293 1.00 0.50 H new ATOM 0 HA VAL A 66 6.719 12.061 -10.665 1.00 0.52 H new ATOM 0 HB VAL A 66 6.984 9.679 -8.784 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.328 11.159 -7.353 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.102 10.873 -8.930 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.273 12.416 -8.612 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.887 11.164 -7.145 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.719 12.414 -8.401 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.855 10.866 -8.564 1.00 0.60 H new ATOM 1058 N GLY A 67 8.226 9.169 -11.215 1.00 0.50 N ATOM 1059 CA GLY A 67 9.387 8.576 -11.844 1.00 0.54 C ATOM 1060 C GLY A 67 10.419 8.162 -10.819 1.00 0.54 C ATOM 1061 O GLY A 67 11.366 8.901 -10.539 1.00 0.82 O ATOM 0 H GLY A 67 7.565 8.501 -10.818 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.083 7.707 -12.427 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.829 9.289 -12.540 1.00 0.54 H new ATOM 1065 N HIS A 68 10.227 6.987 -10.245 1.00 0.45 N ATOM 1066 CA HIS A 68 11.137 6.471 -9.231 1.00 0.42 C ATOM 1067 C HIS A 68 12.316 5.762 -9.880 1.00 0.47 C ATOM 1068 O HIS A 68 12.172 5.134 -10.930 1.00 0.58 O ATOM 1069 CB HIS A 68 10.401 5.514 -8.290 1.00 0.39 C ATOM 1070 CG HIS A 68 9.495 6.208 -7.320 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.226 6.652 -7.630 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.698 6.532 -6.020 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.710 7.220 -6.531 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.563 7.173 -5.528 1.00 0.40 N ATOM 0 H HIS A 68 9.446 6.368 -10.464 1.00 0.45 H new ATOM 0 HA HIS A 68 11.514 7.313 -8.651 1.00 0.42 H new ATOM 0 HB2 HIS A 68 9.815 4.812 -8.884 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.134 4.928 -7.735 1.00 0.39 H new ATOM 0 HD1 HIS A 68 7.763 6.564 -8.535 1.00 0.35 H new ATOM 0 HD2 HIS A 68 10.596 6.326 -5.456 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.725 7.659 -6.475 1.00 0.35 H new ATOM 1082 N SER A 69 13.479 5.869 -9.254 1.00 0.45 N ATOM 1083 CA SER A 69 14.685 5.245 -9.767 1.00 0.50 C ATOM 1084 C SER A 69 14.611 3.726 -9.651 1.00 0.50 C ATOM 1085 O SER A 69 13.838 3.186 -8.852 1.00 0.46 O ATOM 1086 CB SER A 69 15.897 5.773 -9.003 1.00 0.55 C ATOM 1087 OG SER A 69 15.615 5.867 -7.616 1.00 1.01 O ATOM 0 H SER A 69 13.611 6.386 -8.385 1.00 0.45 H new ATOM 0 HA SER A 69 14.782 5.495 -10.823 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.749 5.112 -9.162 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.178 6.753 -9.389 1.00 0.55 H new ATOM 0 HG SER A 69 16.404 6.205 -7.144 1.00 1.01 H new ATOM 1093 N THR A 70 15.431 3.043 -10.438 1.00 0.59 N ATOM 1094 CA THR A 70 15.471 1.591 -10.433 1.00 0.64 C ATOM 1095 C THR A 70 15.946 1.065 -9.080 1.00 0.61 C ATOM 1096 O THR A 70 15.638 -0.062 -8.694 1.00 0.66 O ATOM 1097 CB THR A 70 16.402 1.075 -11.538 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.432 2.040 -11.784 1.00 0.89 O ATOM 1099 CG2 THR A 70 15.628 0.815 -12.819 1.00 1.08 C ATOM 0 H THR A 70 16.082 3.478 -11.092 1.00 0.59 H new ATOM 0 HA THR A 70 14.460 1.229 -10.617 1.00 0.64 H new ATOM 0 HB THR A 70 16.847 0.136 -11.208 1.00 0.78 H new ATOM 0 HG1 THR A 70 17.156 2.635 -12.512 1.00 0.89 H new ATOM 0 HG21 THR A 70 16.309 0.450 -13.588 1.00 1.08 H new ATOM 0 HG22 THR A 70 14.857 0.068 -12.633 1.00 1.08 H new ATOM 0 HG23 THR A 70 15.162 1.741 -13.157 1.00 1.08 H new ATOM 1107 N ASP A 71 16.699 1.898 -8.373 1.00 0.60 N ATOM 1108 CA ASP A 71 17.217 1.549 -7.052 1.00 0.61 C ATOM 1109 C ASP A 71 16.097 1.567 -6.018 1.00 0.54 C ATOM 1110 O ASP A 71 16.025 0.702 -5.143 1.00 0.56 O ATOM 1111 CB ASP A 71 18.316 2.539 -6.644 1.00 0.70 C ATOM 1112 CG ASP A 71 18.785 2.351 -5.212 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.586 1.422 -4.958 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.371 3.137 -4.338 1.00 1.29 O ATOM 0 H ASP A 71 16.968 2.828 -8.694 1.00 0.60 H new ATOM 0 HA ASP A 71 17.636 0.544 -7.097 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.166 2.426 -7.316 1.00 0.70 H new ATOM 0 HB3 ASP A 71 17.945 3.556 -6.768 1.00 0.70 H new ATOM 1119 N ALA A 72 15.210 2.547 -6.146 1.00 0.48 N ATOM 1120 CA ALA A 72 14.094 2.712 -5.223 1.00 0.44 C ATOM 1121 C ALA A 72 13.113 1.545 -5.291 1.00 0.42 C ATOM 1122 O ALA A 72 12.696 1.017 -4.261 1.00 0.43 O ATOM 1123 CB ALA A 72 13.374 4.022 -5.506 1.00 0.47 C ATOM 0 H ALA A 72 15.244 3.246 -6.888 1.00 0.48 H new ATOM 0 HA ALA A 72 14.504 2.732 -4.213 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.542 4.137 -4.812 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.068 4.853 -5.381 1.00 0.47 H new ATOM 0 HB3 ALA A 72 12.996 4.016 -6.528 1.00 0.47 H new ATOM 1129 N ARG A 73 12.765 1.131 -6.503 1.00 0.44 N ATOM 1130 CA ARG A 73 11.818 0.033 -6.691 1.00 0.48 C ATOM 1131 C ARG A 73 12.382 -1.289 -6.167 1.00 0.49 C ATOM 1132 O ARG A 73 11.628 -2.199 -5.820 1.00 0.56 O ATOM 1133 CB ARG A 73 11.413 -0.093 -8.165 1.00 0.54 C ATOM 1134 CG ARG A 73 12.575 -0.328 -9.121 1.00 0.68 C ATOM 1135 CD ARG A 73 12.647 -1.779 -9.568 1.00 0.74 C ATOM 1136 NE ARG A 73 11.370 -2.239 -10.110 1.00 0.90 N ATOM 1137 CZ ARG A 73 10.907 -3.481 -9.984 1.00 1.08 C ATOM 1138 NH1 ARG A 73 11.626 -4.410 -9.360 1.00 1.08 N ATOM 1139 NH2 ARG A 73 9.722 -3.795 -10.487 1.00 1.36 N ATOM 0 H ARG A 73 13.121 1.535 -7.369 1.00 0.44 H new ATOM 0 HA ARG A 73 10.925 0.265 -6.110 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.705 -0.915 -8.265 1.00 0.54 H new ATOM 0 HB3 ARG A 73 10.891 0.816 -8.464 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.466 0.317 -9.993 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.510 -0.050 -8.634 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.425 -1.889 -10.324 1.00 0.74 H new ATOM 0 HD3 ARG A 73 12.932 -2.407 -8.724 1.00 0.74 H new ATOM 0 HE ARG A 73 10.797 -1.565 -10.617 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.540 -4.173 -8.973 1.00 1.08 H new ATOM 0 HH12 ARG A 73 11.264 -5.359 -9.268 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.168 -3.086 -10.968 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.364 -4.745 -10.393 1.00 1.36 H new ATOM 1153 N GLU A 74 13.705 -1.392 -6.101 1.00 0.47 N ATOM 1154 CA GLU A 74 14.347 -2.602 -5.599 1.00 0.51 C ATOM 1155 C GLU A 74 14.321 -2.614 -4.078 1.00 0.49 C ATOM 1156 O GLU A 74 14.284 -3.672 -3.451 1.00 0.55 O ATOM 1157 CB GLU A 74 15.788 -2.698 -6.101 1.00 0.57 C ATOM 1158 CG GLU A 74 15.892 -3.022 -7.582 1.00 0.65 C ATOM 1159 CD GLU A 74 15.261 -4.354 -7.935 1.00 0.75 C ATOM 1160 OE1 GLU A 74 15.927 -5.395 -7.765 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.098 -4.367 -8.390 1.00 0.84 O ATOM 0 H GLU A 74 14.351 -0.656 -6.387 1.00 0.47 H new ATOM 0 HA GLU A 74 13.795 -3.465 -5.971 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.296 -1.753 -5.907 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.313 -3.465 -5.531 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.409 -2.232 -8.157 1.00 0.65 H new ATOM 0 HG3 GLU A 74 16.942 -3.033 -7.874 1.00 0.65 H new ATOM 1168 N LEU A 75 14.311 -1.425 -3.491 1.00 0.47 N ATOM 1169 CA LEU A 75 14.283 -1.281 -2.043 1.00 0.48 C ATOM 1170 C LEU A 75 12.913 -1.685 -1.500 1.00 0.43 C ATOM 1171 O LEU A 75 12.767 -2.015 -0.326 1.00 0.44 O ATOM 1172 CB LEU A 75 14.603 0.165 -1.652 1.00 0.53 C ATOM 1173 CG LEU A 75 14.821 0.411 -0.156 1.00 0.56 C ATOM 1174 CD1 LEU A 75 16.128 -0.218 0.305 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.809 1.904 0.145 1.00 0.61 C ATOM 0 H LEU A 75 14.322 -0.541 -4.000 1.00 0.47 H new ATOM 0 HA LEU A 75 15.038 -1.937 -1.609 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.499 0.478 -2.188 1.00 0.53 H new ATOM 0 HB3 LEU A 75 13.788 0.804 -1.992 1.00 0.53 H new ATOM 0 HG LEU A 75 14.004 -0.057 0.393 1.00 0.56 H new ATOM 0 HD11 LEU A 75 16.265 -0.033 1.370 1.00 0.65 H new ATOM 0 HD12 LEU A 75 16.098 -1.293 0.125 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.958 0.220 -0.249 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.965 2.061 1.212 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.606 2.394 -0.414 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.848 2.326 -0.147 1.00 0.61 H new ATOM 1187 N SER A 76 11.914 -1.678 -2.377 1.00 0.45 N ATOM 1188 CA SER A 76 10.556 -2.040 -1.996 1.00 0.46 C ATOM 1189 C SER A 76 10.439 -3.540 -1.711 1.00 0.43 C ATOM 1190 O SER A 76 9.455 -3.994 -1.126 1.00 0.45 O ATOM 1191 CB SER A 76 9.588 -1.630 -3.103 1.00 0.55 C ATOM 1192 OG SER A 76 9.916 -0.344 -3.603 1.00 0.82 O ATOM 0 H SER A 76 12.022 -1.425 -3.359 1.00 0.45 H new ATOM 0 HA SER A 76 10.301 -1.510 -1.078 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.622 -2.360 -3.912 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.568 -1.627 -2.719 1.00 0.55 H new ATOM 0 HG SER A 76 9.286 -0.099 -4.313 1.00 0.82 H new ATOM 1198 N LYS A 77 11.466 -4.296 -2.089 1.00 0.45 N ATOM 1199 CA LYS A 77 11.481 -5.742 -1.881 1.00 0.51 C ATOM 1200 C LYS A 77 11.604 -6.089 -0.394 1.00 0.47 C ATOM 1201 O LYS A 77 11.555 -7.258 -0.015 1.00 0.56 O ATOM 1202 CB LYS A 77 12.634 -6.373 -2.666 1.00 0.63 C ATOM 1203 CG LYS A 77 12.345 -7.790 -3.141 1.00 0.94 C ATOM 1204 CD LYS A 77 13.500 -8.360 -3.949 1.00 1.20 C ATOM 1205 CE LYS A 77 13.145 -9.706 -4.564 1.00 1.60 C ATOM 1206 NZ LYS A 77 14.282 -10.283 -5.329 1.00 1.89 N ATOM 0 H LYS A 77 12.303 -3.930 -2.543 1.00 0.45 H new ATOM 0 HA LYS A 77 10.535 -6.145 -2.243 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.859 -5.748 -3.530 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.526 -6.384 -2.040 1.00 0.63 H new ATOM 0 HG2 LYS A 77 12.153 -8.430 -2.280 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.440 -7.792 -3.748 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.773 -7.660 -4.738 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.373 -8.472 -3.307 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.849 -10.398 -3.776 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.286 -9.588 -5.224 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 14.000 -11.199 -5.732 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.548 -9.634 -6.097 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 15.094 -10.419 -4.694 1.00 1.89 H new ATOM 1220 N THR A 78 11.782 -5.073 0.443 1.00 0.42 N ATOM 1221 CA THR A 78 11.890 -5.286 1.878 1.00 0.48 C ATOM 1222 C THR A 78 10.673 -4.688 2.593 1.00 0.43 C ATOM 1223 O THR A 78 10.580 -4.718 3.821 1.00 0.53 O ATOM 1224 CB THR A 78 13.204 -4.691 2.445 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.520 -5.297 3.708 1.00 0.84 O ATOM 1226 CG2 THR A 78 13.111 -3.180 2.611 1.00 0.63 C ATOM 0 H THR A 78 11.854 -4.098 0.152 1.00 0.42 H new ATOM 0 HA THR A 78 11.914 -6.361 2.058 1.00 0.48 H new ATOM 0 HB THR A 78 13.997 -4.905 1.728 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.709 -5.355 4.255 1.00 0.84 H new ATOM 0 HG21 THR A 78 14.051 -2.799 3.011 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.915 -2.719 1.643 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.300 -2.939 3.298 1.00 0.63 H new ATOM 1234 N PHE A 79 9.740 -4.154 1.807 1.00 0.36 N ATOM 1235 CA PHE A 79 8.521 -3.558 2.349 1.00 0.38 C ATOM 1236 C PHE A 79 7.301 -4.363 1.920 1.00 0.32 C ATOM 1237 O PHE A 79 6.190 -4.124 2.389 1.00 0.33 O ATOM 1238 CB PHE A 79 8.364 -2.108 1.874 1.00 0.46 C ATOM 1239 CG PHE A 79 9.485 -1.197 2.290 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.955 -1.195 3.595 1.00 1.10 C ATOM 1241 CD2 PHE A 79 10.069 -0.341 1.372 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.984 -0.355 3.973 1.00 1.16 C ATOM 1243 CE2 PHE A 79 11.099 0.502 1.745 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.557 0.495 3.047 1.00 0.70 C ATOM 0 H PHE A 79 9.806 -4.122 0.790 1.00 0.36 H new ATOM 0 HA PHE A 79 8.599 -3.568 3.436 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.289 -2.100 0.787 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.426 -1.711 2.261 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.511 -1.858 4.323 1.00 1.10 H new ATOM 0 HD2 PHE A 79 9.715 -0.332 0.352 1.00 0.96 H new ATOM 0 HE1 PHE A 79 11.341 -0.363 4.992 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.545 1.165 1.019 1.00 1.01 H new ATOM 0 HZ PHE A 79 12.362 1.153 3.341 1.00 0.70 H new ATOM 1254 N ILE A 80 7.519 -5.309 1.020 1.00 0.38 N ATOM 1255 CA ILE A 80 6.440 -6.144 0.513 1.00 0.36 C ATOM 1256 C ILE A 80 6.023 -7.187 1.549 1.00 0.33 C ATOM 1257 O ILE A 80 6.842 -7.988 2.007 1.00 0.42 O ATOM 1258 CB ILE A 80 6.841 -6.842 -0.814 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.743 -7.803 -1.282 1.00 0.46 C ATOM 1260 CG2 ILE A 80 8.165 -7.576 -0.668 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.605 -7.116 -2.005 1.00 0.72 C ATOM 0 H ILE A 80 8.436 -5.518 0.624 1.00 0.38 H new ATOM 0 HA ILE A 80 5.590 -5.491 0.313 1.00 0.36 H new ATOM 0 HB ILE A 80 6.963 -6.068 -1.571 1.00 0.46 H new ATOM 0 HG12 ILE A 80 6.183 -8.551 -1.942 1.00 0.46 H new ATOM 0 HG13 ILE A 80 5.345 -8.335 -0.418 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.421 -8.056 -1.613 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.947 -6.866 -0.398 1.00 0.58 H new ATOM 0 HG23 ILE A 80 8.077 -8.333 0.111 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.865 -7.858 -2.307 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.139 -6.388 -1.341 1.00 0.72 H new ATOM 0 HD13 ILE A 80 4.990 -6.607 -2.889 1.00 0.72 H new ATOM 1273 N ILE A 81 4.757 -7.148 1.937 1.00 0.28 N ATOM 1274 CA ILE A 81 4.236 -8.101 2.910 1.00 0.32 C ATOM 1275 C ILE A 81 3.112 -8.935 2.305 1.00 0.29 C ATOM 1276 O ILE A 81 2.783 -10.009 2.809 1.00 0.31 O ATOM 1277 CB ILE A 81 3.731 -7.417 4.210 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.434 -6.620 3.970 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.817 -6.524 4.801 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.641 -5.259 3.338 1.00 0.77 C ATOM 0 H ILE A 81 4.074 -6.472 1.596 1.00 0.28 H new ATOM 0 HA ILE A 81 5.071 -8.748 3.179 1.00 0.32 H new ATOM 0 HB ILE A 81 3.499 -8.203 4.928 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.775 -7.207 3.331 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.921 -6.490 4.923 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.445 -6.053 5.711 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.695 -7.126 5.036 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.088 -5.754 4.079 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.676 -4.769 3.206 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.272 -4.650 3.985 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.124 -5.378 2.368 1.00 0.77 H new ATOM 1292 N GLY A 82 2.529 -8.451 1.215 1.00 0.32 N ATOM 1293 CA GLY A 82 1.456 -9.183 0.587 1.00 0.35 C ATOM 1294 C GLY A 82 0.932 -8.520 -0.663 1.00 0.31 C ATOM 1295 O GLY A 82 1.470 -7.509 -1.119 1.00 0.34 O ATOM 0 H GLY A 82 2.780 -7.573 0.761 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.806 -10.185 0.339 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.639 -9.298 1.299 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.127 -9.091 -1.209 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.748 -8.580 -2.419 1.00 0.31 C ATOM 1301 C GLU A 83 -2.261 -8.617 -2.285 1.00 0.32 C ATOM 1302 O GLU A 83 -2.789 -9.024 -1.249 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.328 -9.412 -3.630 1.00 0.37 C ATOM 1304 CG GLU A 83 1.084 -9.141 -4.111 1.00 0.61 C ATOM 1305 CD GLU A 83 1.421 -9.920 -5.364 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.489 -10.272 -6.118 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.614 -10.203 -5.593 1.00 0.86 O ATOM 0 H GLU A 83 -0.581 -9.921 -0.827 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.420 -7.551 -2.563 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.418 -10.469 -3.379 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.022 -9.218 -4.448 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.201 -8.075 -4.306 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.791 -9.401 -3.323 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.954 -8.209 -3.337 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.408 -8.204 -3.334 1.00 0.44 C ATOM 1316 C LEU A 84 -4.941 -9.504 -3.919 1.00 0.40 C ATOM 1317 O LEU A 84 -4.254 -10.170 -4.700 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.957 -7.017 -4.134 1.00 0.52 C ATOM 1319 CG LEU A 84 -4.814 -5.638 -3.476 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -5.200 -5.690 -2.004 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.399 -5.107 -3.642 1.00 0.87 C ATOM 0 H LEU A 84 -2.532 -7.877 -4.204 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.740 -8.109 -2.300 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.452 -6.991 -5.100 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -6.014 -7.195 -4.332 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.498 -4.954 -3.978 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -5.089 -4.699 -1.564 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.236 -6.014 -1.911 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -4.551 -6.394 -1.482 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -3.320 -4.129 -3.168 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -2.695 -5.795 -3.174 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.167 -5.016 -4.703 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.161 -9.854 -3.542 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.809 -11.067 -4.031 1.00 0.48 C ATOM 1335 C HIS A 85 -6.977 -11.018 -5.551 1.00 0.42 C ATOM 1336 O HIS A 85 -7.048 -9.938 -6.135 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.183 -11.233 -3.375 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.154 -11.876 -2.024 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.236 -12.540 -1.490 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.176 -11.954 -1.094 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.925 -12.997 -0.295 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.680 -12.656 -0.026 1.00 1.10 N ATOM 0 H HIS A 85 -6.729 -9.311 -2.892 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.176 -11.916 -3.772 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.650 -10.252 -3.286 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.816 -11.829 -4.033 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -6.182 -11.541 -1.176 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.580 -13.557 0.356 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -7.175 -12.877 0.832 1.00 1.10 H new ATOM 1351 N PRO A 86 -7.036 -12.185 -6.216 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.213 -12.253 -7.671 1.00 0.44 C ATOM 1353 C PRO A 86 -8.541 -11.636 -8.104 1.00 0.40 C ATOM 1354 O PRO A 86 -8.640 -11.016 -9.165 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.189 -13.758 -7.974 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.484 -14.425 -6.676 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.928 -13.526 -5.613 1.00 0.53 C ATOM 0 HA PRO A 86 -6.444 -11.697 -8.207 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.931 -14.019 -8.728 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.218 -14.066 -8.363 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.557 -14.567 -6.545 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -7.024 -15.412 -6.631 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.497 -13.598 -4.686 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.895 -13.777 -5.373 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.556 -11.798 -7.259 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.887 -11.263 -7.529 1.00 0.43 C ATOM 1367 C ASP A 87 -10.870 -9.743 -7.471 1.00 0.41 C ATOM 1368 O ASP A 87 -11.552 -9.070 -8.240 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.898 -11.803 -6.515 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.884 -13.314 -6.428 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.970 -13.867 -5.777 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.784 -13.955 -7.010 1.00 1.30 O ATOM 0 H ASP A 87 -9.480 -12.300 -6.374 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.183 -11.579 -8.529 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.681 -11.384 -5.532 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.898 -11.468 -6.790 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.073 -9.212 -6.556 1.00 0.42 N ATOM 1378 CA ASP A 88 -9.944 -7.772 -6.377 1.00 0.50 C ATOM 1379 C ASP A 88 -8.946 -7.203 -7.378 1.00 0.49 C ATOM 1380 O ASP A 88 -8.686 -6.001 -7.407 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.480 -7.449 -4.950 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.432 -7.953 -3.879 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -10.518 -9.184 -3.680 1.00 1.20 O ATOM 1384 OD2 ASP A 88 -11.086 -7.121 -3.218 1.00 1.22 O ATOM 0 H ASP A 88 -9.499 -9.764 -5.918 1.00 0.42 H new ATOM 0 HA ASP A 88 -10.920 -7.317 -6.545 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.496 -7.889 -4.787 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.368 -6.370 -4.848 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.390 -8.082 -8.196 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.406 -7.689 -9.187 1.00 0.51 C ATOM 1391 C ARG A 89 -7.994 -7.689 -10.592 1.00 0.57 C ATOM 1392 O ARG A 89 -8.068 -6.647 -11.243 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.211 -8.634 -9.125 1.00 0.56 C ATOM 1394 CG ARG A 89 -4.951 -8.069 -9.750 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.796 -9.047 -9.635 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.528 -9.427 -8.248 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.307 -9.642 -7.757 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.236 -9.516 -8.532 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.148 -9.989 -6.488 1.00 0.81 N ATOM 0 H ARG A 89 -8.607 -9.079 -8.191 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.086 -6.672 -8.960 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.009 -8.881 -8.083 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.469 -9.565 -9.629 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.134 -7.840 -10.800 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.688 -7.132 -9.260 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.020 -9.941 -10.218 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -2.900 -8.601 -10.067 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.323 -9.534 -7.618 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.343 -9.253 -9.512 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.306 -9.682 -8.148 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.962 -10.093 -5.882 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.212 -10.152 -6.117 1.00 0.81 H new ATOM 1413 N SER A 90 -8.416 -8.856 -11.058 1.00 0.50 N ATOM 1414 CA SER A 90 -8.973 -8.976 -12.397 1.00 0.59 C ATOM 1415 C SER A 90 -10.375 -9.584 -12.368 1.00 0.57 C ATOM 1416 O SER A 90 -10.617 -10.639 -12.952 1.00 0.88 O ATOM 1417 CB SER A 90 -8.045 -9.825 -13.271 1.00 0.71 C ATOM 1418 OG SER A 90 -6.709 -9.348 -13.212 1.00 1.16 O ATOM 0 H SER A 90 -8.384 -9.729 -10.531 1.00 0.50 H new ATOM 0 HA SER A 90 -9.055 -7.975 -12.821 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.079 -10.863 -12.941 1.00 0.71 H new ATOM 0 HB3 SER A 90 -8.395 -9.807 -14.303 1.00 0.71 H new ATOM 0 HG SER A 90 -6.136 -9.908 -13.777 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.290 -8.913 -11.683 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.671 -9.374 -11.585 1.00 0.49 C ATOM 1426 C LYS A 91 -13.561 -8.236 -11.094 1.00 0.51 C ATOM 1427 O LYS A 91 -14.493 -7.828 -11.784 1.00 0.59 O ATOM 1428 CB LYS A 91 -12.772 -10.579 -10.645 1.00 0.47 C ATOM 1429 CG LYS A 91 -13.873 -11.561 -11.020 1.00 1.02 C ATOM 1430 CD LYS A 91 -13.876 -12.788 -10.114 1.00 1.09 C ATOM 1431 CE LYS A 91 -12.611 -13.621 -10.276 1.00 1.24 C ATOM 1432 NZ LYS A 91 -12.501 -14.216 -11.633 1.00 1.76 N ATOM 0 H LYS A 91 -11.101 -8.043 -11.184 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.009 -9.687 -12.573 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -11.817 -11.104 -10.639 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.947 -10.222 -9.630 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -14.840 -11.062 -10.958 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -13.742 -11.875 -12.055 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -13.971 -12.471 -9.075 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -14.747 -13.403 -10.340 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -11.739 -12.996 -10.083 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -12.604 -14.416 -9.531 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -11.734 -14.918 -11.643 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -13.398 -14.680 -11.882 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -12.294 -13.467 -12.325 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.256 -7.736 -9.896 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.989 -6.619 -9.290 1.00 0.55 C ATOM 1448 C LEU A 92 -15.473 -6.940 -9.094 1.00 0.58 C ATOM 1449 O LEU A 92 -16.317 -6.046 -9.093 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.833 -5.345 -10.137 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.551 -4.526 -9.889 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.417 -4.161 -8.417 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.318 -5.282 -10.365 1.00 0.90 C ATOM 0 H LEU A 92 -12.495 -8.092 -9.317 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.555 -6.451 -8.304 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.864 -5.626 -11.190 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.694 -4.702 -9.953 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.628 -3.604 -10.466 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.505 -3.583 -8.267 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.278 -3.567 -8.110 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.373 -5.071 -7.819 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.428 -4.681 -10.178 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.239 -6.226 -9.825 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.403 -5.481 -11.433 1.00 0.90 H new ATOM 1465 N SER A 93 -15.790 -8.210 -8.913 1.00 0.52 N ATOM 1466 CA SER A 93 -17.170 -8.623 -8.711 1.00 0.57 C ATOM 1467 C SER A 93 -17.506 -8.665 -7.221 1.00 0.58 C ATOM 1468 O SER A 93 -17.776 -9.726 -6.657 1.00 0.70 O ATOM 1469 CB SER A 93 -17.400 -9.991 -9.348 1.00 0.62 C ATOM 1470 OG SER A 93 -16.822 -10.048 -10.644 1.00 0.70 O ATOM 0 H SER A 93 -15.113 -8.973 -8.902 1.00 0.52 H new ATOM 0 HA SER A 93 -17.827 -7.896 -9.187 1.00 0.57 H new ATOM 0 HB2 SER A 93 -16.967 -10.768 -8.718 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.469 -10.192 -9.413 1.00 0.62 H new ATOM 0 HG SER A 93 -16.979 -10.933 -11.034 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.475 -7.504 -6.581 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.772 -7.405 -5.157 1.00 0.60 C ATOM 1478 C LYS A 94 -18.665 -6.195 -4.880 1.00 0.71 C ATOM 1479 O LYS A 94 -18.456 -5.129 -5.456 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.473 -7.291 -4.352 1.00 0.56 C ATOM 1481 CG LYS A 94 -15.687 -8.589 -4.277 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.273 -8.362 -3.764 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.260 -7.811 -2.345 1.00 0.85 C ATOM 1484 NZ LYS A 94 -12.962 -8.066 -1.670 1.00 0.93 N ATOM 0 H LYS A 94 -17.247 -6.615 -7.026 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.301 -8.308 -4.851 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.845 -6.521 -4.800 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.710 -6.961 -3.341 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.204 -9.290 -3.621 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -15.646 -9.047 -5.265 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -13.722 -9.302 -3.792 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -13.754 -7.669 -4.426 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -14.453 -6.739 -2.369 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.065 -8.267 -1.770 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -12.782 -7.319 -0.970 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.995 -8.989 -1.191 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.198 -8.070 -2.376 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.685 -6.349 -4.016 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.594 -5.254 -3.669 1.00 0.92 C ATOM 1500 C PRO A 95 -19.907 -4.211 -2.794 1.00 0.95 C ATOM 1501 O PRO A 95 -19.122 -4.550 -1.907 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.733 -5.937 -2.894 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.506 -7.406 -3.031 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.044 -7.591 -3.317 1.00 0.84 C ATOM 0 HA PRO A 95 -20.941 -4.720 -4.553 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -21.725 -5.638 -1.846 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.704 -5.654 -3.299 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -21.791 -7.929 -2.118 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.113 -7.818 -3.837 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.467 -7.720 -2.402 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -19.862 -8.470 -3.936 1.00 0.84 H new ATOM 1512 N MET A 96 -20.211 -2.947 -3.041 1.00 1.06 N ATOM 1513 CA MET A 96 -19.605 -1.859 -2.285 1.00 1.14 C ATOM 1514 C MET A 96 -20.539 -1.356 -1.186 1.00 1.16 C ATOM 1515 O MET A 96 -20.310 -1.626 -0.008 1.00 1.25 O ATOM 1516 CB MET A 96 -19.221 -0.706 -3.220 1.00 1.31 C ATOM 1517 CG MET A 96 -18.521 0.448 -2.515 1.00 1.38 C ATOM 1518 SD MET A 96 -18.083 1.792 -3.640 1.00 1.63 S ATOM 1519 CE MET A 96 -19.688 2.208 -4.321 1.00 1.94 C ATOM 0 H MET A 96 -20.872 -2.648 -3.758 1.00 1.06 H new ATOM 0 HA MET A 96 -18.704 -2.247 -1.810 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.569 -1.089 -4.006 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.121 -0.330 -3.707 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.170 0.835 -1.729 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.618 0.077 -2.030 1.00 1.38 H new ATOM 0 HE1 MET A 96 -19.693 3.254 -4.629 1.00 1.94 H new ATOM 0 HE2 MET A 96 -19.892 1.575 -5.184 1.00 1.94 H new ATOM 0 HE3 MET A 96 -20.457 2.049 -3.565 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.591 -0.632 -1.587 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.570 -0.054 -0.656 1.00 1.22 C ATOM 1531 C GLU A 97 -21.929 1.025 0.223 1.00 1.29 C ATOM 1532 O GLU A 97 -21.250 0.725 1.206 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.216 -1.129 0.226 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.274 -0.581 1.175 1.00 1.50 C ATOM 1535 CD GLU A 97 -24.848 -1.645 2.086 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -24.287 -1.864 3.181 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -25.869 -2.262 1.720 1.00 2.57 O ATOM 0 H GLU A 97 -21.788 -0.430 -2.567 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.351 0.405 -1.263 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.670 -1.887 -0.412 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.439 -1.625 0.808 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -23.837 0.213 1.781 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.080 -0.132 0.594 1.00 1.50 H new ATOM 1544 N THR A 98 -22.154 2.282 -0.132 1.00 1.31 N ATOM 1545 CA THR A 98 -21.603 3.391 0.626 1.00 1.40 C ATOM 1546 C THR A 98 -22.485 4.635 0.482 1.00 1.39 C ATOM 1547 O THR A 98 -23.486 4.608 -0.239 1.00 1.35 O ATOM 1548 CB THR A 98 -20.153 3.705 0.187 1.00 1.43 C ATOM 1549 OG1 THR A 98 -19.515 4.555 1.150 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.123 4.370 -1.183 1.00 1.37 C ATOM 0 H THR A 98 -22.714 2.557 -0.939 1.00 1.31 H new ATOM 0 HA THR A 98 -21.582 3.098 1.676 1.00 1.40 H new ATOM 0 HB THR A 98 -19.613 2.760 0.123 1.00 1.43 H new ATOM 0 HG1 THR A 98 -18.598 4.745 0.862 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.091 4.578 -1.464 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.572 3.705 -1.920 1.00 1.37 H new ATOM 0 HG23 THR A 98 -20.684 5.304 -1.147 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.105 5.709 1.183 1.00 1.46 N ATOM 1559 CA LEU A 99 -22.840 6.979 1.167 1.00 1.48 C ATOM 1560 C LEU A 99 -24.252 6.817 1.725 1.00 1.52 C ATOM 1561 O LEU A 99 -25.180 7.519 1.321 1.00 1.53 O ATOM 1562 CB LEU A 99 -22.896 7.571 -0.246 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.582 8.164 -0.764 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -21.784 8.795 -2.131 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.032 9.190 0.216 1.00 1.61 C ATOM 0 H LEU A 99 -21.277 5.722 1.779 1.00 1.46 H new ATOM 0 HA LEU A 99 -22.296 7.670 1.811 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.219 6.791 -0.935 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.659 8.350 -0.265 1.00 1.43 H new ATOM 0 HG LEU A 99 -20.857 7.355 -0.859 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -20.840 9.211 -2.483 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.131 8.037 -2.834 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.526 9.590 -2.059 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.099 9.599 -0.171 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -21.755 9.995 0.344 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -20.847 8.712 1.178 1.00 1.61 H new ATOM 1577 N ILE A 100 -24.401 5.906 2.673 1.00 1.60 N ATOM 1578 CA ILE A 100 -25.695 5.650 3.292 1.00 1.68 C ATOM 1579 C ILE A 100 -25.769 6.303 4.672 1.00 1.72 C ATOM 1580 O ILE A 100 -26.474 5.830 5.561 1.00 1.83 O ATOM 1581 CB ILE A 100 -25.970 4.135 3.424 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -24.799 3.437 4.124 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.219 3.518 2.055 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.062 1.983 4.458 1.00 1.79 C ATOM 0 H ILE A 100 -23.641 5.329 3.033 1.00 1.60 H new ATOM 0 HA ILE A 100 -26.456 6.084 2.644 1.00 1.68 H new ATOM 0 HB ILE A 100 -26.865 3.998 4.031 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -23.918 3.499 3.486 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -24.566 3.974 5.043 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -26.411 2.451 2.166 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -27.083 3.996 1.592 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -25.342 3.665 1.425 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.187 1.559 4.951 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -25.923 1.912 5.123 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.265 1.430 3.541 1.00 1.79 H new ATOM 1596 N THR A 101 -25.036 7.393 4.845 1.00 1.73 N ATOM 1597 CA THR A 101 -25.017 8.102 6.113 1.00 1.77 C ATOM 1598 C THR A 101 -25.026 9.614 5.899 1.00 1.85 C ATOM 1599 O THR A 101 -24.235 10.143 5.115 1.00 1.80 O ATOM 1600 CB THR A 101 -23.777 7.719 6.944 1.00 1.70 C ATOM 1601 OG1 THR A 101 -23.477 6.327 6.762 1.00 1.85 O ATOM 1602 CG2 THR A 101 -24.006 7.998 8.421 1.00 1.98 C ATOM 0 H THR A 101 -24.447 7.805 4.122 1.00 1.73 H new ATOM 0 HA THR A 101 -25.917 7.812 6.655 1.00 1.77 H new ATOM 0 HB THR A 101 -22.938 8.324 6.601 1.00 1.70 H new ATOM 0 HG1 THR A 101 -22.687 6.091 7.292 1.00 1.85 H new ATOM 0 HG21 THR A 101 -23.117 7.719 8.986 1.00 1.98 H new ATOM 0 HG22 THR A 101 -24.209 9.059 8.564 1.00 1.98 H new ATOM 0 HG23 THR A 101 -24.857 7.416 8.774 1.00 1.98 H new ATOM 1610 N THR A 102 -25.933 10.296 6.584 1.00 2.05 N ATOM 1611 CA THR A 102 -26.044 11.744 6.490 1.00 2.18 C ATOM 1612 C THR A 102 -25.011 12.407 7.396 1.00 2.11 C ATOM 1613 O THR A 102 -25.231 12.562 8.594 1.00 2.23 O ATOM 1614 CB THR A 102 -27.455 12.210 6.893 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.371 11.111 6.787 1.00 2.89 O ATOM 1616 CG2 THR A 102 -27.926 13.349 6.002 1.00 2.72 C ATOM 0 H THR A 102 -26.608 9.865 7.216 1.00 2.05 H new ATOM 0 HA THR A 102 -25.861 12.034 5.455 1.00 2.18 H new ATOM 0 HB THR A 102 -27.420 12.567 7.922 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.269 11.407 7.045 1.00 2.89 H new ATOM 0 HG21 THR A 102 -28.925 13.660 6.307 1.00 2.72 H new ATOM 0 HG22 THR A 102 -27.240 14.191 6.094 1.00 2.72 H new ATOM 0 HG23 THR A 102 -27.951 13.013 4.965 1.00 2.72 H new ATOM 1624 N VAL A 103 -23.877 12.775 6.819 1.00 2.05 N ATOM 1625 CA VAL A 103 -22.796 13.403 7.577 1.00 2.08 C ATOM 1626 C VAL A 103 -22.451 14.778 7.019 1.00 2.14 C ATOM 1627 O VAL A 103 -21.317 15.246 7.142 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.523 12.527 7.580 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.691 11.331 8.507 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.181 12.075 6.168 1.00 1.94 C ATOM 0 H VAL A 103 -23.678 12.651 5.826 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.156 13.512 8.600 1.00 2.08 H new ATOM 0 HB VAL A 103 -20.695 13.129 7.955 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -20.782 10.729 8.493 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -21.878 11.681 9.522 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.533 10.725 8.171 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -20.282 11.459 6.191 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.009 11.494 5.762 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.007 12.948 5.539 1.00 1.94 H new ATOM 1640 N ASP A 104 -23.434 15.425 6.416 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.230 16.743 5.834 1.00 2.30 C ATOM 1642 C ASP A 104 -23.313 17.811 6.913 1.00 2.65 C ATOM 1643 O ASP A 104 -22.559 18.802 6.831 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.259 17.030 4.737 1.00 2.32 C ATOM 1645 CG ASP A 104 -24.321 15.936 3.692 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -23.387 15.837 2.860 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -25.308 15.171 3.697 1.00 2.82 O ATOM 0 H ASP A 104 -24.381 15.060 6.316 1.00 2.18 H new ATOM 0 HA ASP A 104 -22.237 16.761 5.384 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -25.243 17.150 5.190 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -24.014 17.975 4.253 1.00 2.32 H new