USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=28 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 87:sc= 0.504 USER MOD Set 1.2: A 38 THR OG1 : rot -99:sc= 1.18 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -137:sc= 0.662 (180deg=0.242) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0.428 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00931) 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= 0.131 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 155:sc= -0.134 (180deg=-0.712) USER MOD Single : A 20 HIS : no HE2:sc= 0.772 K(o=0.77,f=-2.4!) USER MOD Single : A 21 ASN : amide:sc= 0.811 K(o=0.81,f=-3.4!) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0026 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= -0.0252 (180deg=-0.203) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.13) 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= -0.7 K(o=-0.7,f=-1.2) USER MOD Single : A 54 GLN : amide:sc= 0.344 K(o=0.34,f=-1.4) USER MOD Single : A 60 THR OG1 : rot 128:sc= 1.44 USER MOD Single : A 62 ASN : amide:sc= -0.074 K(o=-0.074,f=-1.1!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0594 USER MOD Single : A 70 THR OG1 : rot 92:sc= 0.138 USER MOD Single : A 76 SER OG : rot 69:sc= 0.428 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= 0.975 K(o=0.97,f=-6.1!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -174:sc= -0.948 USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 0.56! (180deg=0.215!) USER MOD Single : A 96 MET CE :methyl 144:sc= -0.174 (180deg=-2.36!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0547 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 18.832 -12.373 17.473 1.00 0.86 N ATOM 21 CA ALA A 2 17.521 -12.116 16.894 1.00 0.87 C ATOM 22 C ALA A 2 17.654 -11.605 15.466 1.00 0.72 C ATOM 23 O ALA A 2 17.832 -10.407 15.234 1.00 0.87 O ATOM 24 CB ALA A 2 16.748 -11.118 17.745 1.00 1.10 C ATOM 0 HA ALA A 2 16.968 -13.055 16.872 1.00 0.87 H new ATOM 0 HB1 ALA A 2 15.771 -10.938 17.297 1.00 1.10 H new ATOM 0 HB2 ALA A 2 16.618 -11.520 18.750 1.00 1.10 H new ATOM 0 HB3 ALA A 2 17.301 -10.180 17.798 1.00 1.10 H new ATOM 30 N ALA A 3 17.587 -12.523 14.515 1.00 0.71 N ATOM 31 CA ALA A 3 17.693 -12.178 13.106 1.00 0.72 C ATOM 32 C ALA A 3 16.879 -13.142 12.257 1.00 0.70 C ATOM 33 O ALA A 3 17.036 -14.359 12.358 1.00 1.05 O ATOM 34 CB ALA A 3 19.149 -12.182 12.665 1.00 0.96 C ATOM 0 H ALA A 3 17.459 -13.519 14.695 1.00 0.71 H new ATOM 0 HA ALA A 3 17.292 -11.174 12.967 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.210 -11.922 11.608 1.00 0.96 H new ATOM 0 HB2 ALA A 3 19.709 -11.453 13.251 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.573 -13.174 12.819 1.00 0.96 H new ATOM 40 N GLN A 4 16.009 -12.599 11.423 1.00 0.66 N ATOM 41 CA GLN A 4 15.175 -13.416 10.562 1.00 0.68 C ATOM 42 C GLN A 4 14.894 -12.700 9.247 1.00 0.66 C ATOM 43 O GLN A 4 14.817 -11.471 9.193 1.00 0.81 O ATOM 44 CB GLN A 4 13.866 -13.775 11.271 1.00 0.83 C ATOM 45 CG GLN A 4 13.040 -12.569 11.697 1.00 0.97 C ATOM 46 CD GLN A 4 11.776 -12.962 12.434 1.00 1.33 C ATOM 47 OE1 GLN A 4 11.750 -13.956 13.156 1.00 1.79 O ATOM 48 NE2 GLN A 4 10.718 -12.189 12.256 1.00 1.63 N ATOM 0 H GLN A 4 15.863 -11.594 11.325 1.00 0.66 H new ATOM 0 HA GLN A 4 15.711 -14.338 10.339 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.265 -14.398 10.608 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.095 -14.375 12.152 1.00 0.83 H new ATOM 0 HG2 GLN A 4 13.645 -11.926 12.337 1.00 0.97 H new ATOM 0 HG3 GLN A 4 12.776 -11.984 10.816 1.00 0.97 H new ATOM 0 HE21 GLN A 4 10.780 -11.372 11.648 1.00 1.63 H new ATOM 0 HE22 GLN A 4 9.840 -12.410 12.726 1.00 1.63 H new ATOM 57 N SER A 5 14.764 -13.475 8.186 1.00 0.71 N ATOM 58 CA SER A 5 14.489 -12.934 6.864 1.00 0.76 C ATOM 59 C SER A 5 13.346 -13.705 6.210 1.00 0.73 C ATOM 60 O SER A 5 13.510 -14.314 5.151 1.00 1.11 O ATOM 61 CB SER A 5 15.747 -13.009 5.999 1.00 0.98 C ATOM 62 OG SER A 5 16.900 -12.693 6.764 1.00 1.18 O ATOM 0 H SER A 5 14.845 -14.491 8.214 1.00 0.71 H new ATOM 0 HA SER A 5 14.192 -11.890 6.961 1.00 0.76 H new ATOM 0 HB2 SER A 5 15.846 -14.010 5.578 1.00 0.98 H new ATOM 0 HB3 SER A 5 15.660 -12.318 5.161 1.00 0.98 H new ATOM 0 HG SER A 5 17.696 -12.748 6.194 1.00 1.18 H new ATOM 68 N ASP A 6 12.187 -13.680 6.854 1.00 0.62 N ATOM 69 CA ASP A 6 11.018 -14.387 6.350 1.00 0.68 C ATOM 70 C ASP A 6 10.083 -13.437 5.613 1.00 0.58 C ATOM 71 O ASP A 6 9.454 -12.572 6.218 1.00 0.80 O ATOM 72 CB ASP A 6 10.274 -15.074 7.503 1.00 0.89 C ATOM 73 CG ASP A 6 11.034 -16.259 8.066 1.00 1.54 C ATOM 74 OD1 ASP A 6 10.973 -17.352 7.458 1.00 1.98 O ATOM 75 OD2 ASP A 6 11.703 -16.102 9.111 1.00 2.18 O ATOM 0 H ASP A 6 12.031 -13.177 7.728 1.00 0.62 H new ATOM 0 HA ASP A 6 11.358 -15.146 5.646 1.00 0.68 H new ATOM 0 HB2 ASP A 6 10.097 -14.350 8.298 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.297 -15.407 7.152 1.00 0.89 H new ATOM 80 N LYS A 7 10.009 -13.593 4.300 1.00 0.54 N ATOM 81 CA LYS A 7 9.149 -12.752 3.481 1.00 0.58 C ATOM 82 C LYS A 7 8.067 -13.594 2.814 1.00 0.53 C ATOM 83 O LYS A 7 8.291 -14.193 1.762 1.00 0.85 O ATOM 84 CB LYS A 7 9.968 -12.013 2.416 1.00 0.81 C ATOM 85 CG LYS A 7 10.973 -11.018 2.982 1.00 1.05 C ATOM 86 CD LYS A 7 10.280 -9.844 3.659 1.00 1.24 C ATOM 87 CE LYS A 7 11.283 -8.799 4.121 1.00 1.58 C ATOM 88 NZ LYS A 7 10.630 -7.660 4.819 1.00 1.91 N ATOM 0 H LYS A 7 10.534 -14.295 3.778 1.00 0.54 H new ATOM 0 HA LYS A 7 8.676 -12.014 4.129 1.00 0.58 H new ATOM 0 HB2 LYS A 7 10.501 -12.746 1.810 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.285 -11.485 1.750 1.00 0.81 H new ATOM 0 HG2 LYS A 7 11.620 -11.522 3.700 1.00 1.05 H new ATOM 0 HG3 LYS A 7 11.613 -10.650 2.180 1.00 1.05 H new ATOM 0 HD2 LYS A 7 9.571 -9.389 2.967 1.00 1.24 H new ATOM 0 HD3 LYS A 7 9.706 -10.202 4.513 1.00 1.24 H new ATOM 0 HE2 LYS A 7 12.008 -9.264 4.789 1.00 1.58 H new ATOM 0 HE3 LYS A 7 11.837 -8.425 3.260 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 11.053 -6.766 4.496 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 9.612 -7.659 4.605 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 10.767 -7.757 5.845 1.00 1.91 H new ATOM 102 N ASP A 8 6.903 -13.650 3.438 1.00 0.50 N ATOM 103 CA ASP A 8 5.787 -14.420 2.908 1.00 0.54 C ATOM 104 C ASP A 8 4.766 -13.496 2.261 1.00 0.51 C ATOM 105 O ASP A 8 4.477 -12.423 2.787 1.00 0.83 O ATOM 106 CB ASP A 8 5.125 -15.223 4.026 1.00 0.75 C ATOM 107 CG ASP A 8 4.028 -16.137 3.520 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.342 -17.281 3.126 1.00 1.72 O ATOM 109 OD2 ASP A 8 2.850 -15.725 3.522 1.00 1.44 O ATOM 0 H ASP A 8 6.704 -13.170 4.316 1.00 0.50 H new ATOM 0 HA ASP A 8 6.167 -15.108 2.153 1.00 0.54 H new ATOM 0 HB2 ASP A 8 5.882 -15.819 4.537 1.00 0.75 H new ATOM 0 HB3 ASP A 8 4.709 -14.536 4.763 1.00 0.75 H new ATOM 114 N VAL A 9 4.226 -13.909 1.124 1.00 0.39 N ATOM 115 CA VAL A 9 3.237 -13.108 0.420 1.00 0.35 C ATOM 116 C VAL A 9 1.819 -13.576 0.763 1.00 0.33 C ATOM 117 O VAL A 9 1.374 -14.647 0.342 1.00 0.44 O ATOM 118 CB VAL A 9 3.470 -13.131 -1.114 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.609 -14.551 -1.640 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.356 -12.399 -1.847 1.00 0.47 C ATOM 0 H VAL A 9 4.456 -14.793 0.670 1.00 0.39 H new ATOM 0 HA VAL A 9 3.350 -12.076 0.752 1.00 0.35 H new ATOM 0 HB VAL A 9 4.409 -12.611 -1.305 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.771 -14.526 -2.718 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.457 -15.037 -1.157 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.699 -15.110 -1.423 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.545 -12.431 -2.920 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.402 -12.880 -1.632 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.322 -11.361 -1.515 1.00 0.47 H new ATOM 130 N LYS A 10 1.120 -12.774 1.553 1.00 0.30 N ATOM 131 CA LYS A 10 -0.238 -13.095 1.960 1.00 0.34 C ATOM 132 C LYS A 10 -1.240 -12.329 1.103 1.00 0.34 C ATOM 133 O LYS A 10 -0.994 -11.186 0.727 1.00 0.48 O ATOM 134 CB LYS A 10 -0.435 -12.744 3.438 1.00 0.42 C ATOM 135 CG LYS A 10 -1.636 -13.427 4.075 1.00 0.93 C ATOM 136 CD LYS A 10 -2.148 -12.663 5.291 1.00 0.98 C ATOM 137 CE LYS A 10 -1.068 -12.491 6.349 1.00 1.27 C ATOM 138 NZ LYS A 10 -0.674 -13.782 6.966 1.00 1.97 N ATOM 0 H LYS A 10 1.474 -11.893 1.926 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.405 -14.163 1.822 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.463 -13.019 3.990 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -0.550 -11.664 3.534 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.435 -13.515 3.339 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.362 -14.440 4.372 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -2.509 -11.683 4.978 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.997 -13.193 5.722 1.00 0.98 H new ATOM 0 HE2 LYS A 10 -0.192 -12.024 5.899 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -1.427 -11.814 7.125 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 0.026 -13.609 7.715 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -1.513 -14.241 7.375 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -0.259 -14.401 6.241 1.00 1.97 H new ATOM 152 N TYR A 11 -2.360 -12.959 0.787 1.00 0.34 N ATOM 153 CA TYR A 11 -3.388 -12.311 -0.015 1.00 0.35 C ATOM 154 C TYR A 11 -4.377 -11.592 0.891 1.00 0.33 C ATOM 155 O TYR A 11 -5.120 -12.221 1.642 1.00 0.39 O ATOM 156 CB TYR A 11 -4.109 -13.327 -0.901 1.00 0.43 C ATOM 157 CG TYR A 11 -3.274 -13.792 -2.071 1.00 0.50 C ATOM 158 CD1 TYR A 11 -3.001 -12.942 -3.134 1.00 0.81 C ATOM 159 CD2 TYR A 11 -2.754 -15.079 -2.110 1.00 0.85 C ATOM 160 CE1 TYR A 11 -2.233 -13.362 -4.202 1.00 0.95 C ATOM 161 CE2 TYR A 11 -1.984 -15.505 -3.174 1.00 0.96 C ATOM 162 CZ TYR A 11 -1.728 -14.643 -4.218 1.00 0.83 C ATOM 163 OH TYR A 11 -0.966 -15.069 -5.280 1.00 1.03 O ATOM 0 H TYR A 11 -2.581 -13.913 1.071 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.911 -11.579 -0.666 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -4.391 -14.190 -0.298 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -5.032 -12.884 -1.275 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -3.395 -11.937 -3.126 1.00 0.81 H new ATOM 0 HD2 TYR A 11 -2.955 -15.758 -1.295 1.00 0.85 H new ATOM 0 HE1 TYR A 11 -2.029 -12.689 -5.021 1.00 0.95 H new ATOM 0 HE2 TYR A 11 -1.585 -16.508 -3.188 1.00 0.96 H new ATOM 0 HH TYR A 11 -0.688 -15.997 -5.132 1.00 1.03 H new ATOM 173 N TYR A 12 -4.371 -10.271 0.824 1.00 0.37 N ATOM 174 CA TYR A 12 -5.251 -9.460 1.650 1.00 0.41 C ATOM 175 C TYR A 12 -6.504 -9.057 0.887 1.00 0.42 C ATOM 176 O TYR A 12 -6.514 -9.017 -0.347 1.00 0.45 O ATOM 177 CB TYR A 12 -4.522 -8.202 2.131 1.00 0.45 C ATOM 178 CG TYR A 12 -3.313 -8.475 3.001 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.443 -8.636 4.375 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.042 -8.563 2.446 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.339 -8.876 5.171 1.00 0.91 C ATOM 182 CE2 TYR A 12 -0.935 -8.801 3.236 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.089 -8.959 4.596 1.00 0.82 C ATOM 184 OH TYR A 12 0.014 -9.194 5.384 1.00 1.02 O ATOM 0 H TYR A 12 -3.764 -9.735 0.204 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.544 -10.062 2.510 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.206 -7.625 1.262 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.223 -7.581 2.689 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.421 -8.573 4.828 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.918 -8.443 1.380 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.455 -8.998 6.238 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.047 -8.863 2.790 1.00 0.82 H new ATOM 0 HH TYR A 12 0.817 -9.224 4.823 1.00 1.02 H new ATOM 194 N THR A 13 -7.562 -8.774 1.626 1.00 0.47 N ATOM 195 CA THR A 13 -8.816 -8.355 1.035 1.00 0.51 C ATOM 196 C THR A 13 -8.818 -6.836 0.856 1.00 0.47 C ATOM 197 O THR A 13 -8.228 -6.113 1.663 1.00 0.46 O ATOM 198 CB THR A 13 -9.999 -8.791 1.918 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.502 -9.331 3.155 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.846 -9.837 1.205 1.00 0.86 C ATOM 0 H THR A 13 -7.575 -8.828 2.644 1.00 0.47 H new ATOM 0 HA THR A 13 -8.924 -8.829 0.060 1.00 0.51 H new ATOM 0 HB THR A 13 -10.623 -7.920 2.121 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.255 -9.607 3.718 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.677 -10.131 1.846 1.00 0.86 H new ATOM 0 HG22 THR A 13 -11.235 -9.419 0.277 1.00 0.86 H new ATOM 0 HG23 THR A 13 -10.233 -10.710 0.981 1.00 0.86 H new ATOM 208 N LEU A 14 -9.472 -6.361 -0.200 1.00 0.50 N ATOM 209 CA LEU A 14 -9.529 -4.931 -0.503 1.00 0.51 C ATOM 210 C LEU A 14 -10.146 -4.132 0.647 1.00 0.48 C ATOM 211 O LEU A 14 -9.665 -3.054 0.997 1.00 0.51 O ATOM 212 CB LEU A 14 -10.330 -4.706 -1.791 1.00 0.58 C ATOM 213 CG LEU A 14 -10.266 -3.290 -2.363 1.00 0.73 C ATOM 214 CD1 LEU A 14 -8.880 -2.995 -2.919 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.325 -3.108 -3.438 1.00 0.95 C ATOM 0 H LEU A 14 -9.974 -6.949 -0.866 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.508 -4.575 -0.640 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -9.971 -5.402 -2.549 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.373 -4.955 -1.598 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.464 -2.583 -1.557 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -8.857 -1.982 -3.321 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.141 -3.086 -2.123 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -8.647 -3.705 -3.712 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -11.268 -2.095 -3.837 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.155 -3.825 -4.242 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.313 -3.274 -3.008 1.00 0.95 H new ATOM 227 N GLU A 15 -11.187 -4.684 1.253 1.00 0.50 N ATOM 228 CA GLU A 15 -11.885 -4.020 2.354 1.00 0.53 C ATOM 229 C GLU A 15 -11.079 -4.076 3.650 1.00 0.51 C ATOM 230 O GLU A 15 -11.423 -3.424 4.636 1.00 0.61 O ATOM 231 CB GLU A 15 -13.272 -4.644 2.571 1.00 0.61 C ATOM 232 CG GLU A 15 -13.277 -6.169 2.588 1.00 0.67 C ATOM 233 CD GLU A 15 -13.365 -6.768 1.198 1.00 0.76 C ATOM 234 OE1 GLU A 15 -14.488 -6.958 0.692 1.00 1.05 O ATOM 235 OE2 GLU A 15 -12.306 -7.034 0.592 1.00 0.83 O ATOM 0 H GLU A 15 -11.572 -5.595 1.002 1.00 0.50 H new ATOM 0 HA GLU A 15 -12.004 -2.973 2.077 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.678 -4.280 3.515 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.941 -4.299 1.782 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -12.370 -6.526 3.077 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -14.120 -6.519 3.184 1.00 0.67 H new ATOM 242 N GLU A 16 -9.997 -4.838 3.644 1.00 0.46 N ATOM 243 CA GLU A 16 -9.163 -4.971 4.826 1.00 0.50 C ATOM 244 C GLU A 16 -8.016 -3.968 4.799 1.00 0.46 C ATOM 245 O GLU A 16 -7.759 -3.269 5.784 1.00 0.51 O ATOM 246 CB GLU A 16 -8.606 -6.391 4.933 1.00 0.58 C ATOM 247 CG GLU A 16 -8.061 -6.719 6.311 1.00 1.05 C ATOM 248 CD GLU A 16 -9.074 -6.460 7.404 1.00 1.60 C ATOM 249 OE1 GLU A 16 -9.135 -5.319 7.906 1.00 2.19 O ATOM 250 OE2 GLU A 16 -9.817 -7.396 7.762 1.00 2.32 O ATOM 0 H GLU A 16 -9.677 -5.372 2.836 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.784 -4.766 5.698 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.393 -7.102 4.682 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.813 -6.520 4.196 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.758 -7.766 6.340 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -7.168 -6.123 6.498 1.00 1.05 H new ATOM 257 N ILE A 17 -7.336 -3.890 3.665 1.00 0.42 N ATOM 258 CA ILE A 17 -6.203 -2.986 3.522 1.00 0.44 C ATOM 259 C ILE A 17 -6.634 -1.519 3.510 1.00 0.43 C ATOM 260 O ILE A 17 -5.925 -0.659 4.031 1.00 0.48 O ATOM 261 CB ILE A 17 -5.366 -3.302 2.261 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.255 -3.500 1.029 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.517 -4.540 2.494 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.464 -2.238 0.225 1.00 0.98 C ATOM 0 H ILE A 17 -7.548 -4.440 2.832 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.576 -3.148 4.399 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.716 -2.448 2.071 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -5.809 -4.260 0.387 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.225 -3.882 1.348 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.932 -4.753 1.600 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.845 -4.367 3.335 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.164 -5.389 2.715 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.103 -2.454 -0.631 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -6.939 -1.482 0.851 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.501 -1.866 -0.125 1.00 0.98 H new ATOM 276 N LYS A 18 -7.812 -1.237 2.958 1.00 0.42 N ATOM 277 CA LYS A 18 -8.303 0.137 2.891 1.00 0.48 C ATOM 278 C LYS A 18 -8.843 0.594 4.242 1.00 0.50 C ATOM 279 O LYS A 18 -9.256 1.743 4.401 1.00 0.63 O ATOM 280 CB LYS A 18 -9.388 0.287 1.821 1.00 0.56 C ATOM 281 CG LYS A 18 -10.704 -0.397 2.163 1.00 0.53 C ATOM 282 CD LYS A 18 -11.855 0.139 1.317 1.00 0.87 C ATOM 283 CE LYS A 18 -11.624 -0.093 -0.171 1.00 1.05 C ATOM 284 NZ LYS A 18 -11.246 1.158 -0.881 1.00 1.48 N ATOM 0 H LYS A 18 -8.438 -1.934 2.555 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.457 0.769 2.620 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.576 1.348 1.657 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -9.014 -0.120 0.881 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.607 -1.471 2.007 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.928 -0.247 3.219 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.784 -0.345 1.620 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.976 1.206 1.503 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -10.838 -0.836 -0.304 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -12.529 -0.504 -0.618 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -11.099 0.954 -1.890 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -12.007 1.859 -0.777 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -10.368 1.537 -0.473 1.00 1.48 H new ATOM 298 N LYS A 19 -8.855 -0.312 5.210 1.00 0.47 N ATOM 299 CA LYS A 19 -9.331 0.011 6.545 1.00 0.53 C ATOM 300 C LYS A 19 -8.187 -0.061 7.547 1.00 0.54 C ATOM 301 O LYS A 19 -8.371 0.169 8.741 1.00 0.67 O ATOM 302 CB LYS A 19 -10.449 -0.941 6.963 1.00 0.60 C ATOM 303 CG LYS A 19 -11.560 -0.254 7.734 1.00 0.84 C ATOM 304 CD LYS A 19 -12.599 0.342 6.797 1.00 1.09 C ATOM 305 CE LYS A 19 -13.548 -0.721 6.267 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.306 -1.383 7.361 1.00 1.68 N ATOM 0 H LYS A 19 -8.541 -1.275 5.095 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.725 1.027 6.530 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.869 -1.411 6.074 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -10.029 -1.738 7.576 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -12.038 -0.970 8.402 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.138 0.533 8.360 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -13.168 1.109 7.323 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -12.098 0.833 5.962 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.247 -0.266 5.565 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -12.982 -1.470 5.713 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.198 -1.764 6.985 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -13.738 -2.159 7.757 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.513 -0.690 8.108 1.00 1.68 H new ATOM 320 N HIS A 20 -7.003 -0.375 7.047 1.00 0.55 N ATOM 321 CA HIS A 20 -5.824 -0.484 7.895 1.00 0.59 C ATOM 322 C HIS A 20 -5.016 0.805 7.858 1.00 0.58 C ATOM 323 O HIS A 20 -4.050 0.965 8.597 1.00 0.66 O ATOM 324 CB HIS A 20 -4.956 -1.668 7.460 1.00 0.68 C ATOM 325 CG HIS A 20 -5.158 -2.895 8.296 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.261 -3.717 8.183 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.392 -3.431 9.274 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.162 -4.703 9.056 1.00 1.07 C ATOM 329 NE2 HIS A 20 -5.037 -4.556 9.730 1.00 1.13 N ATOM 0 H HIS A 20 -6.831 -0.559 6.059 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.156 -0.655 8.919 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.176 -1.907 6.419 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.907 -1.376 7.505 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -7.032 -3.584 7.528 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.448 -3.046 9.631 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -6.881 -5.497 9.195 1.00 1.07 H new ATOM 338 N ASN A 21 -5.434 1.732 7.008 1.00 0.58 N ATOM 339 CA ASN A 21 -4.753 3.014 6.865 1.00 0.61 C ATOM 340 C ASN A 21 -5.066 3.934 8.045 1.00 0.60 C ATOM 341 O ASN A 21 -5.770 4.934 7.906 1.00 0.75 O ATOM 342 CB ASN A 21 -5.141 3.695 5.541 1.00 0.72 C ATOM 343 CG ASN A 21 -6.645 3.720 5.279 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.454 3.329 6.125 1.00 0.96 O ATOM 345 ND2 ASN A 21 -7.026 4.178 4.098 1.00 0.88 N ATOM 0 H ASN A 21 -6.247 1.620 6.402 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.680 2.822 6.854 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.765 4.718 5.546 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.647 3.178 4.719 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -8.017 4.216 3.862 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.328 4.493 3.424 1.00 0.88 H new ATOM 352 N HIS A 22 -4.538 3.584 9.211 1.00 0.64 N ATOM 353 CA HIS A 22 -4.763 4.363 10.421 1.00 0.76 C ATOM 354 C HIS A 22 -3.548 5.212 10.764 1.00 0.88 C ATOM 355 O HIS A 22 -3.520 6.411 10.482 1.00 1.61 O ATOM 356 CB HIS A 22 -5.098 3.444 11.598 1.00 0.83 C ATOM 357 CG HIS A 22 -6.481 2.875 11.538 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.606 3.592 11.875 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.916 1.645 11.176 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.673 2.831 11.726 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.281 1.644 11.303 1.00 1.09 N ATOM 0 H HIS A 22 -3.949 2.762 9.344 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.607 5.027 10.233 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.378 2.626 11.626 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -4.983 4.001 12.528 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.302 0.819 10.848 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.693 3.129 11.918 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.894 0.854 11.103 1.00 1.09 H new ATOM 370 N SER A 23 -2.544 4.590 11.369 1.00 0.60 N ATOM 371 CA SER A 23 -1.338 5.300 11.764 1.00 0.62 C ATOM 372 C SER A 23 -0.128 4.379 11.736 1.00 0.52 C ATOM 373 O SER A 23 0.856 4.641 11.047 1.00 0.62 O ATOM 374 CB SER A 23 -1.521 5.867 13.170 1.00 0.84 C ATOM 375 OG SER A 23 -2.180 4.929 14.009 1.00 1.32 O ATOM 0 H SER A 23 -2.543 3.596 11.596 1.00 0.60 H new ATOM 0 HA SER A 23 -1.166 6.111 11.056 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.550 6.122 13.594 1.00 0.84 H new ATOM 0 HB3 SER A 23 -2.100 6.789 13.123 1.00 0.84 H new ATOM 0 HG SER A 23 -2.286 5.310 14.906 1.00 1.32 H new ATOM 381 N LYS A 24 -0.213 3.302 12.501 1.00 0.51 N ATOM 382 CA LYS A 24 0.864 2.323 12.592 1.00 0.51 C ATOM 383 C LYS A 24 0.533 1.081 11.776 1.00 0.44 C ATOM 384 O LYS A 24 0.935 -0.032 12.115 1.00 0.45 O ATOM 385 CB LYS A 24 1.116 1.956 14.059 1.00 0.71 C ATOM 386 CG LYS A 24 -0.157 1.635 14.836 1.00 0.97 C ATOM 387 CD LYS A 24 0.117 1.492 16.328 1.00 1.41 C ATOM 388 CE LYS A 24 -1.142 1.138 17.106 1.00 1.88 C ATOM 389 NZ LYS A 24 -2.220 2.147 16.922 1.00 2.36 N ATOM 0 H LYS A 24 -1.026 3.080 13.075 1.00 0.51 H new ATOM 0 HA LYS A 24 1.772 2.763 12.181 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.783 1.095 14.100 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.632 2.782 14.548 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.891 2.424 14.674 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.593 0.711 14.455 1.00 0.97 H new ATOM 0 HD2 LYS A 24 0.870 0.720 16.486 1.00 1.41 H new ATOM 0 HD3 LYS A 24 0.531 2.425 16.712 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -1.503 0.161 16.785 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -0.901 1.056 18.166 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -2.990 1.959 17.595 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -1.837 3.099 17.091 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -2.588 2.089 15.951 1.00 2.36 H new ATOM 403 N SER A 25 -0.190 1.289 10.689 1.00 0.43 N ATOM 404 CA SER A 25 -0.584 0.202 9.809 1.00 0.42 C ATOM 405 C SER A 25 -0.855 0.738 8.408 1.00 0.42 C ATOM 406 O SER A 25 -1.562 0.119 7.616 1.00 0.50 O ATOM 407 CB SER A 25 -1.834 -0.484 10.368 1.00 0.48 C ATOM 408 OG SER A 25 -2.499 0.356 11.306 1.00 0.83 O ATOM 0 H SER A 25 -0.518 2.208 10.393 1.00 0.43 H new ATOM 0 HA SER A 25 0.224 -0.527 9.751 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.512 -0.733 9.552 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.555 -1.422 10.848 1.00 0.48 H new ATOM 0 HG SER A 25 -3.295 -0.102 11.648 1.00 0.83 H new ATOM 414 N THR A 26 -0.269 1.891 8.113 1.00 0.42 N ATOM 415 CA THR A 26 -0.450 2.549 6.831 1.00 0.43 C ATOM 416 C THR A 26 0.277 1.809 5.711 1.00 0.36 C ATOM 417 O THR A 26 1.502 1.889 5.589 1.00 0.41 O ATOM 418 CB THR A 26 0.065 3.994 6.904 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.242 4.549 8.189 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.557 4.852 5.814 1.00 0.56 C ATOM 0 H THR A 26 0.343 2.393 8.756 1.00 0.42 H new ATOM 0 HA THR A 26 -1.517 2.545 6.607 1.00 0.43 H new ATOM 0 HB THR A 26 1.145 3.982 6.755 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.472 4.324 8.822 1.00 0.64 H new ATOM 0 HG21 THR A 26 -0.175 5.870 5.890 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.303 4.440 4.837 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.640 4.862 5.933 1.00 0.56 H new ATOM 428 N TRP A 27 -0.486 1.084 4.904 1.00 0.35 N ATOM 429 CA TRP A 27 0.070 0.332 3.791 1.00 0.33 C ATOM 430 C TRP A 27 -0.296 0.997 2.466 1.00 0.32 C ATOM 431 O TRP A 27 -1.366 1.602 2.339 1.00 0.36 O ATOM 432 CB TRP A 27 -0.446 -1.111 3.815 1.00 0.38 C ATOM 433 CG TRP A 27 0.004 -1.890 5.017 1.00 0.40 C ATOM 434 CD1 TRP A 27 1.039 -1.581 5.850 1.00 0.43 C ATOM 435 CD2 TRP A 27 -0.565 -3.106 5.517 1.00 0.48 C ATOM 436 NE1 TRP A 27 1.152 -2.529 6.835 1.00 0.48 N ATOM 437 CE2 TRP A 27 0.179 -3.475 6.656 1.00 0.52 C ATOM 438 CE3 TRP A 27 -1.633 -3.918 5.120 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.107 -4.621 7.392 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -1.915 -5.055 5.854 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.156 -5.395 6.980 1.00 0.71 C ATOM 0 H TRP A 27 -1.498 1.002 5.002 1.00 0.35 H new ATOM 0 HA TRP A 27 1.156 0.319 3.889 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.536 -1.099 3.787 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.110 -1.623 2.914 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.677 -0.715 5.749 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.848 -2.529 7.580 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.227 -3.661 4.255 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.479 -4.890 8.258 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -2.734 -5.691 5.554 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.404 -6.288 7.535 1.00 0.71 H new ATOM 452 N LEU A 28 0.594 0.891 1.489 1.00 0.32 N ATOM 453 CA LEU A 28 0.362 1.481 0.177 1.00 0.33 C ATOM 454 C LEU A 28 0.229 0.392 -0.874 1.00 0.32 C ATOM 455 O LEU A 28 0.872 -0.654 -0.774 1.00 0.32 O ATOM 456 CB LEU A 28 1.518 2.405 -0.224 1.00 0.36 C ATOM 457 CG LEU A 28 1.700 3.668 0.620 1.00 0.56 C ATOM 458 CD1 LEU A 28 2.874 4.480 0.094 1.00 0.85 C ATOM 459 CD2 LEU A 28 0.436 4.511 0.610 1.00 0.99 C ATOM 0 H LEU A 28 1.484 0.402 1.580 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.559 2.060 0.236 1.00 0.33 H new ATOM 0 HB2 LEU A 28 2.444 1.831 -0.185 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.372 2.705 -1.262 1.00 0.36 H new ATOM 0 HG LEU A 28 1.904 3.369 1.648 1.00 0.56 H new ATOM 0 HD11 LEU A 28 2.997 5.377 0.700 1.00 0.85 H new ATOM 0 HD12 LEU A 28 3.783 3.881 0.145 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.685 4.765 -0.941 1.00 0.85 H new ATOM 0 HD21 LEU A 28 0.589 5.404 1.217 1.00 0.99 H new ATOM 0 HD22 LEU A 28 0.202 4.804 -0.414 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.391 3.931 1.020 1.00 0.99 H new ATOM 471 N ILE A 29 -0.608 0.636 -1.868 1.00 0.35 N ATOM 472 CA ILE A 29 -0.792 -0.315 -2.947 1.00 0.36 C ATOM 473 C ILE A 29 -0.013 0.154 -4.167 1.00 0.36 C ATOM 474 O ILE A 29 -0.315 1.198 -4.746 1.00 0.39 O ATOM 475 CB ILE A 29 -2.277 -0.494 -3.332 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.110 -0.903 -2.120 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.412 -1.529 -4.439 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.599 -0.900 -2.393 1.00 0.80 C ATOM 0 H ILE A 29 -1.169 1.484 -1.949 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.425 -1.280 -2.598 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.653 0.463 -3.695 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.808 -1.900 -1.799 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.897 -0.224 -1.294 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.463 -1.646 -4.701 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.854 -1.199 -5.315 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -2.016 -2.484 -4.094 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.135 -1.200 -1.492 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.913 0.102 -2.686 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.823 -1.600 -3.198 1.00 0.80 H new ATOM 490 N LEU A 30 1.008 -0.596 -4.529 1.00 0.34 N ATOM 491 CA LEU A 30 1.826 -0.261 -5.679 1.00 0.37 C ATOM 492 C LEU A 30 1.858 -1.439 -6.635 1.00 0.38 C ATOM 493 O LEU A 30 2.275 -2.533 -6.259 1.00 0.38 O ATOM 494 CB LEU A 30 3.246 0.119 -5.250 1.00 0.38 C ATOM 495 CG LEU A 30 3.360 1.404 -4.429 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.767 1.559 -3.866 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.984 2.609 -5.280 1.00 0.48 C ATOM 0 H LEU A 30 1.293 -1.446 -4.041 1.00 0.34 H new ATOM 0 HA LEU A 30 1.389 0.602 -6.182 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.664 -0.702 -4.668 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.862 0.222 -6.143 1.00 0.38 H new ATOM 0 HG LEU A 30 2.665 1.343 -3.591 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.827 2.479 -3.285 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.998 0.709 -3.224 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.484 1.600 -4.686 1.00 0.44 H new ATOM 0 HD21 LEU A 30 3.070 3.517 -4.683 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.655 2.673 -6.136 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.958 2.501 -5.631 1.00 0.48 H new ATOM 509 N HIS A 31 1.391 -1.217 -7.856 1.00 0.41 N ATOM 510 CA HIS A 31 1.347 -2.261 -8.882 1.00 0.43 C ATOM 511 C HIS A 31 0.443 -3.411 -8.442 1.00 0.42 C ATOM 512 O HIS A 31 0.719 -4.576 -8.733 1.00 0.45 O ATOM 513 CB HIS A 31 2.754 -2.783 -9.211 1.00 0.47 C ATOM 514 CG HIS A 31 3.596 -1.803 -9.971 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.459 -1.582 -11.324 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.589 -0.983 -9.557 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.333 -0.671 -11.709 1.00 1.22 C ATOM 518 NE2 HIS A 31 5.031 -0.291 -10.656 1.00 1.18 N ATOM 0 H HIS A 31 1.033 -0.314 -8.167 1.00 0.41 H new ATOM 0 HA HIS A 31 0.933 -1.817 -9.787 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.262 -3.042 -8.282 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.665 -3.700 -9.793 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.964 -0.890 -8.549 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.456 -0.300 -12.716 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.778 0.404 -10.659 1.00 1.18 H new ATOM 527 N HIS A 32 -0.637 -3.056 -7.735 1.00 0.42 N ATOM 528 CA HIS A 32 -1.625 -4.024 -7.236 1.00 0.44 C ATOM 529 C HIS A 32 -1.049 -4.893 -6.118 1.00 0.40 C ATOM 530 O HIS A 32 -1.574 -5.968 -5.817 1.00 0.44 O ATOM 531 CB HIS A 32 -2.161 -4.909 -8.372 1.00 0.52 C ATOM 532 CG HIS A 32 -2.864 -4.141 -9.450 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.539 -4.250 -10.785 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.872 -3.238 -9.385 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.311 -3.446 -11.491 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.129 -2.823 -10.666 1.00 0.97 N ATOM 0 H HIS A 32 -0.852 -2.089 -7.492 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.454 -3.448 -6.825 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.331 -5.462 -8.813 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.848 -5.645 -7.955 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.379 -2.907 -8.491 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -3.278 -3.320 -12.563 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -4.839 -2.142 -10.937 1.00 0.97 H new ATOM 545 N LYS A 33 0.021 -4.421 -5.498 1.00 0.37 N ATOM 546 CA LYS A 33 0.656 -5.148 -4.409 1.00 0.37 C ATOM 547 C LYS A 33 0.660 -4.292 -3.151 1.00 0.33 C ATOM 548 O LYS A 33 0.690 -3.064 -3.234 1.00 0.36 O ATOM 549 CB LYS A 33 2.079 -5.557 -4.796 1.00 0.40 C ATOM 550 CG LYS A 33 2.144 -6.297 -6.120 1.00 0.57 C ATOM 551 CD LYS A 33 3.498 -6.935 -6.342 1.00 0.79 C ATOM 552 CE LYS A 33 3.517 -7.737 -7.629 1.00 0.94 C ATOM 553 NZ LYS A 33 4.150 -9.067 -7.440 1.00 1.02 N ATOM 0 H LYS A 33 0.469 -3.535 -5.731 1.00 0.37 H new ATOM 0 HA LYS A 33 0.089 -6.057 -4.209 1.00 0.37 H new ATOM 0 HB2 LYS A 33 2.704 -4.666 -4.853 1.00 0.40 H new ATOM 0 HB3 LYS A 33 2.495 -6.189 -4.012 1.00 0.40 H new ATOM 0 HG2 LYS A 33 1.372 -7.066 -6.145 1.00 0.57 H new ATOM 0 HG3 LYS A 33 1.931 -5.604 -6.934 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.266 -6.163 -6.379 1.00 0.79 H new ATOM 0 HD3 LYS A 33 3.740 -7.585 -5.501 1.00 0.79 H new ATOM 0 HE2 LYS A 33 2.497 -7.868 -7.991 1.00 0.94 H new ATOM 0 HE3 LYS A 33 4.058 -7.182 -8.395 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.572 -9.381 -8.337 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 4.891 -8.999 -6.714 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 3.430 -9.754 -7.137 1.00 1.02 H new ATOM 567 N VAL A 34 0.627 -4.934 -1.991 1.00 0.30 N ATOM 568 CA VAL A 34 0.597 -4.213 -0.727 1.00 0.30 C ATOM 569 C VAL A 34 1.996 -4.068 -0.139 1.00 0.27 C ATOM 570 O VAL A 34 2.679 -5.060 0.128 1.00 0.28 O ATOM 571 CB VAL A 34 -0.314 -4.915 0.307 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.660 -3.968 1.445 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.578 -5.445 -0.353 1.00 0.35 C ATOM 0 H VAL A 34 0.620 -5.950 -1.900 1.00 0.30 H new ATOM 0 HA VAL A 34 0.193 -3.224 -0.942 1.00 0.30 H new ATOM 0 HB VAL A 34 0.233 -5.763 0.719 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -1.302 -4.480 2.162 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.255 -3.646 1.942 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -1.182 -3.098 1.048 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -2.202 -5.934 0.395 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -2.129 -4.618 -0.800 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -1.310 -6.163 -1.128 1.00 0.35 H new ATOM 583 N TYR A 35 2.413 -2.827 0.060 1.00 0.28 N ATOM 584 CA TYR A 35 3.722 -2.538 0.620 1.00 0.28 C ATOM 585 C TYR A 35 3.581 -1.844 1.969 1.00 0.30 C ATOM 586 O TYR A 35 2.843 -0.863 2.096 1.00 0.32 O ATOM 587 CB TYR A 35 4.533 -1.656 -0.333 1.00 0.31 C ATOM 588 CG TYR A 35 4.894 -2.328 -1.641 1.00 0.31 C ATOM 589 CD1 TYR A 35 4.039 -2.271 -2.732 1.00 0.43 C ATOM 590 CD2 TYR A 35 6.093 -3.015 -1.786 1.00 0.35 C ATOM 591 CE1 TYR A 35 4.370 -2.877 -3.929 1.00 0.47 C ATOM 592 CE2 TYR A 35 6.430 -3.622 -2.981 1.00 0.40 C ATOM 593 CZ TYR A 35 5.563 -3.551 -4.049 1.00 0.41 C ATOM 594 OH TYR A 35 5.895 -4.154 -5.241 1.00 0.48 O ATOM 0 H TYR A 35 1.859 -2.000 -0.160 1.00 0.28 H new ATOM 0 HA TYR A 35 4.248 -3.482 0.759 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.964 -0.751 -0.547 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.449 -1.345 0.168 1.00 0.31 H new ATOM 0 HD1 TYR A 35 3.100 -1.745 -2.644 1.00 0.43 H new ATOM 0 HD2 TYR A 35 6.774 -3.076 -0.950 1.00 0.35 H new ATOM 0 HE1 TYR A 35 3.693 -2.821 -4.769 1.00 0.47 H new ATOM 0 HE2 TYR A 35 7.368 -4.149 -3.077 1.00 0.40 H new ATOM 0 HH TYR A 35 6.771 -4.586 -5.157 1.00 0.48 H new ATOM 604 N ASP A 36 4.274 -2.365 2.972 1.00 0.32 N ATOM 605 CA ASP A 36 4.241 -1.794 4.311 1.00 0.36 C ATOM 606 C ASP A 36 5.405 -0.837 4.503 1.00 0.38 C ATOM 607 O ASP A 36 6.569 -1.230 4.437 1.00 0.50 O ATOM 608 CB ASP A 36 4.291 -2.887 5.383 1.00 0.43 C ATOM 609 CG ASP A 36 4.650 -2.340 6.755 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.029 -1.343 7.193 1.00 0.90 O ATOM 611 OD2 ASP A 36 5.554 -2.908 7.407 1.00 1.28 O ATOM 0 H ASP A 36 4.870 -3.188 2.882 1.00 0.32 H new ATOM 0 HA ASP A 36 3.302 -1.250 4.418 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.323 -3.384 5.436 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.022 -3.642 5.094 1.00 0.43 H new ATOM 616 N LEU A 37 5.079 0.418 4.731 1.00 0.37 N ATOM 617 CA LEU A 37 6.080 1.444 4.943 1.00 0.43 C ATOM 618 C LEU A 37 5.524 2.502 5.883 1.00 0.37 C ATOM 619 O LEU A 37 5.898 3.672 5.821 1.00 0.40 O ATOM 620 CB LEU A 37 6.498 2.074 3.610 1.00 0.56 C ATOM 621 CG LEU A 37 5.376 2.757 2.829 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.878 4.052 2.216 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.840 1.825 1.754 1.00 0.80 C ATOM 0 H LEU A 37 4.117 0.755 4.775 1.00 0.37 H new ATOM 0 HA LEU A 37 6.965 0.994 5.392 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.282 2.807 3.803 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.935 1.298 2.982 1.00 0.56 H new ATOM 0 HG LEU A 37 4.562 2.993 3.514 1.00 0.66 H new ATOM 0 HD11 LEU A 37 5.070 4.530 1.662 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.220 4.720 3.006 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.705 3.838 1.539 1.00 0.86 H new ATOM 0 HD21 LEU A 37 4.041 2.324 1.205 1.00 0.80 H new ATOM 0 HD22 LEU A 37 5.644 1.562 1.066 1.00 0.80 H new ATOM 0 HD23 LEU A 37 4.450 0.920 2.219 1.00 0.80 H new ATOM 635 N THR A 38 4.648 2.064 6.779 1.00 0.34 N ATOM 636 CA THR A 38 4.007 2.954 7.738 1.00 0.36 C ATOM 637 C THR A 38 5.034 3.637 8.647 1.00 0.38 C ATOM 638 O THR A 38 4.757 4.686 9.231 1.00 0.44 O ATOM 639 CB THR A 38 2.964 2.192 8.588 1.00 0.41 C ATOM 640 OG1 THR A 38 2.050 3.110 9.195 1.00 0.48 O ATOM 641 CG2 THR A 38 3.627 1.345 9.666 1.00 0.48 C ATOM 0 H THR A 38 4.363 1.088 6.861 1.00 0.34 H new ATOM 0 HA THR A 38 3.494 3.728 7.167 1.00 0.36 H new ATOM 0 HB THR A 38 2.422 1.526 7.917 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.317 3.272 10.124 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.862 0.825 10.242 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.289 0.615 9.200 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.206 1.988 10.329 1.00 0.48 H new ATOM 649 N LYS A 39 6.219 3.050 8.756 1.00 0.39 N ATOM 650 CA LYS A 39 7.268 3.619 9.586 1.00 0.47 C ATOM 651 C LYS A 39 8.289 4.369 8.739 1.00 0.47 C ATOM 652 O LYS A 39 9.243 4.936 9.263 1.00 0.59 O ATOM 653 CB LYS A 39 7.960 2.526 10.405 1.00 0.56 C ATOM 654 CG LYS A 39 7.278 2.245 11.733 1.00 0.75 C ATOM 655 CD LYS A 39 7.360 3.450 12.656 1.00 0.92 C ATOM 656 CE LYS A 39 6.377 3.353 13.809 1.00 1.27 C ATOM 657 NZ LYS A 39 6.186 4.670 14.477 1.00 1.50 N ATOM 0 H LYS A 39 6.475 2.184 8.282 1.00 0.39 H new ATOM 0 HA LYS A 39 6.805 4.329 10.271 1.00 0.47 H new ATOM 0 HB2 LYS A 39 7.990 1.607 9.819 1.00 0.56 H new ATOM 0 HB3 LYS A 39 8.993 2.820 10.590 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.233 1.985 11.561 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.746 1.384 12.211 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.373 3.537 13.050 1.00 0.92 H new ATOM 0 HD3 LYS A 39 7.161 4.357 12.086 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.418 2.988 13.441 1.00 1.27 H new ATOM 0 HE3 LYS A 39 6.738 2.625 14.535 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.509 4.567 15.260 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 7.097 5.006 14.849 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 5.819 5.358 13.789 1.00 1.50 H new ATOM 671 N PHE A 40 8.069 4.387 7.435 1.00 0.40 N ATOM 672 CA PHE A 40 8.980 5.064 6.522 1.00 0.44 C ATOM 673 C PHE A 40 8.343 6.318 5.942 1.00 0.40 C ATOM 674 O PHE A 40 8.984 7.055 5.200 1.00 0.42 O ATOM 675 CB PHE A 40 9.399 4.128 5.387 1.00 0.52 C ATOM 676 CG PHE A 40 10.337 3.036 5.816 1.00 1.16 C ATOM 677 CD1 PHE A 40 9.854 1.868 6.386 1.00 1.66 C ATOM 678 CD2 PHE A 40 11.704 3.177 5.647 1.00 1.77 C ATOM 679 CE1 PHE A 40 10.715 0.863 6.779 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.572 2.177 6.037 1.00 2.45 C ATOM 681 CZ PHE A 40 12.076 1.017 6.603 1.00 2.68 C ATOM 0 H PHE A 40 7.270 3.942 6.984 1.00 0.40 H new ATOM 0 HA PHE A 40 9.863 5.353 7.091 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.507 3.678 4.952 1.00 0.52 H new ATOM 0 HB3 PHE A 40 9.875 4.715 4.602 1.00 0.52 H new ATOM 0 HD1 PHE A 40 8.790 1.743 6.524 1.00 1.66 H new ATOM 0 HD2 PHE A 40 12.096 4.081 5.204 1.00 1.77 H new ATOM 0 HE1 PHE A 40 10.325 -0.041 7.223 1.00 2.39 H new ATOM 0 HE2 PHE A 40 13.636 2.300 5.900 1.00 2.45 H new ATOM 0 HZ PHE A 40 12.752 0.232 6.907 1.00 2.68 H new ATOM 691 N LEU A 41 7.078 6.555 6.281 1.00 0.39 N ATOM 692 CA LEU A 41 6.359 7.731 5.794 1.00 0.43 C ATOM 693 C LEU A 41 7.085 9.002 6.221 1.00 0.44 C ATOM 694 O LEU A 41 7.284 9.924 5.432 1.00 0.47 O ATOM 695 CB LEU A 41 4.929 7.760 6.349 1.00 0.49 C ATOM 696 CG LEU A 41 4.115 6.478 6.170 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.810 6.583 6.939 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.846 6.212 4.696 1.00 0.59 C ATOM 0 H LEU A 41 6.529 5.949 6.891 1.00 0.39 H new ATOM 0 HA LEU A 41 6.319 7.677 4.706 1.00 0.43 H new ATOM 0 HB2 LEU A 41 4.978 7.990 7.413 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.391 8.578 5.870 1.00 0.49 H new ATOM 0 HG LEU A 41 4.691 5.641 6.564 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.235 5.666 6.807 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.022 6.729 7.998 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.234 7.429 6.565 1.00 0.55 H new ATOM 0 HD21 LEU A 41 3.266 5.295 4.592 1.00 0.59 H new ATOM 0 HD22 LEU A 41 3.287 7.046 4.272 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.793 6.104 4.167 1.00 0.59 H new ATOM 710 N GLU A 42 7.505 9.014 7.477 1.00 0.49 N ATOM 711 CA GLU A 42 8.207 10.151 8.055 1.00 0.56 C ATOM 712 C GLU A 42 9.680 10.158 7.651 1.00 0.54 C ATOM 713 O GLU A 42 10.428 11.061 8.019 1.00 0.66 O ATOM 714 CB GLU A 42 8.088 10.099 9.578 1.00 0.67 C ATOM 715 CG GLU A 42 8.487 8.752 10.164 1.00 0.72 C ATOM 716 CD GLU A 42 8.116 8.609 11.623 1.00 0.93 C ATOM 717 OE1 GLU A 42 8.943 8.967 12.490 1.00 1.50 O ATOM 718 OE2 GLU A 42 7.001 8.129 11.911 1.00 1.40 O ATOM 0 H GLU A 42 7.369 8.237 8.124 1.00 0.49 H new ATOM 0 HA GLU A 42 7.751 11.066 7.677 1.00 0.56 H new ATOM 0 HB2 GLU A 42 8.716 10.877 10.012 1.00 0.67 H new ATOM 0 HB3 GLU A 42 7.060 10.322 9.864 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.007 7.957 9.593 1.00 0.72 H new ATOM 0 HG3 GLU A 42 9.563 8.618 10.054 1.00 0.72 H new ATOM 725 N GLU A 43 10.092 9.147 6.901 1.00 0.48 N ATOM 726 CA GLU A 43 11.476 9.038 6.459 1.00 0.50 C ATOM 727 C GLU A 43 11.555 9.141 4.940 1.00 0.43 C ATOM 728 O GLU A 43 12.610 8.931 4.340 1.00 0.54 O ATOM 729 CB GLU A 43 12.079 7.712 6.930 1.00 0.58 C ATOM 730 CG GLU A 43 11.871 7.441 8.413 1.00 0.76 C ATOM 731 CD GLU A 43 12.973 6.596 9.017 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.101 7.111 9.182 1.00 1.46 O ATOM 733 OE2 GLU A 43 12.714 5.418 9.347 1.00 1.56 O ATOM 0 H GLU A 43 9.487 8.389 6.585 1.00 0.48 H new ATOM 0 HA GLU A 43 12.047 9.858 6.895 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.638 6.898 6.355 1.00 0.58 H new ATOM 0 HB3 GLU A 43 13.148 7.712 6.716 1.00 0.58 H new ATOM 0 HG2 GLU A 43 11.814 8.390 8.946 1.00 0.76 H new ATOM 0 HG3 GLU A 43 10.915 6.938 8.555 1.00 0.76 H new ATOM 740 N HIS A 44 10.431 9.478 4.331 1.00 0.43 N ATOM 741 CA HIS A 44 10.343 9.600 2.885 1.00 0.39 C ATOM 742 C HIS A 44 10.646 11.031 2.444 1.00 0.43 C ATOM 743 O HIS A 44 9.995 11.977 2.895 1.00 0.51 O ATOM 744 CB HIS A 44 8.942 9.183 2.423 1.00 0.41 C ATOM 745 CG HIS A 44 8.715 9.289 0.946 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.830 10.175 0.373 1.00 0.42 N ATOM 747 CD2 HIS A 44 9.258 8.586 -0.078 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.859 9.987 -0.949 1.00 0.40 C ATOM 749 NE2 HIS A 44 8.711 9.034 -1.278 1.00 0.41 N ATOM 0 H HIS A 44 9.558 9.674 4.821 1.00 0.43 H new ATOM 0 HA HIS A 44 11.083 8.944 2.428 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.764 8.153 2.732 1.00 0.41 H new ATOM 0 HB3 HIS A 44 8.206 9.802 2.936 1.00 0.41 H new ATOM 0 HD2 HIS A 44 9.996 7.804 0.021 1.00 0.41 H new ATOM 0 HE1 HIS A 44 7.262 10.543 -1.657 1.00 0.40 H new ATOM 0 HE2 HIS A 44 8.924 8.696 -2.216 1.00 0.41 H new ATOM 757 N PRO A 45 11.644 11.208 1.558 1.00 0.44 N ATOM 758 CA PRO A 45 12.028 12.528 1.052 1.00 0.53 C ATOM 759 C PRO A 45 10.960 13.129 0.139 1.00 0.62 C ATOM 760 O PRO A 45 10.850 12.772 -1.034 1.00 1.11 O ATOM 761 CB PRO A 45 13.318 12.255 0.271 1.00 0.58 C ATOM 762 CG PRO A 45 13.240 10.820 -0.116 1.00 0.56 C ATOM 763 CD PRO A 45 12.474 10.130 0.978 1.00 0.44 C ATOM 0 HA PRO A 45 12.154 13.253 1.857 1.00 0.53 H new ATOM 0 HB2 PRO A 45 13.391 12.897 -0.607 1.00 0.58 H new ATOM 0 HB3 PRO A 45 14.198 12.451 0.883 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.738 10.703 -1.076 1.00 0.56 H new ATOM 0 HG3 PRO A 45 14.236 10.391 -0.223 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.860 9.319 0.587 1.00 0.44 H new ATOM 0 HD3 PRO A 45 13.142 9.695 1.721 1.00 0.44 H new ATOM 771 N GLY A 46 10.169 14.031 0.696 1.00 0.75 N ATOM 772 CA GLY A 46 9.112 14.669 -0.058 1.00 0.82 C ATOM 773 C GLY A 46 7.966 15.095 0.836 1.00 0.83 C ATOM 774 O GLY A 46 7.179 15.969 0.474 1.00 1.38 O ATOM 0 H GLY A 46 10.242 14.335 1.667 1.00 0.75 H new ATOM 0 HA2 GLY A 46 9.511 15.540 -0.579 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.743 13.983 -0.820 1.00 0.82 H new ATOM 778 N GLY A 47 7.872 14.476 2.009 1.00 0.66 N ATOM 779 CA GLY A 47 6.814 14.813 2.944 1.00 0.67 C ATOM 780 C GLY A 47 5.819 13.685 3.117 1.00 0.60 C ATOM 781 O GLY A 47 5.852 12.699 2.378 1.00 0.64 O ATOM 0 H GLY A 47 8.510 13.747 2.329 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.252 15.060 3.911 1.00 0.67 H new ATOM 0 HA3 GLY A 47 6.293 15.704 2.594 1.00 0.67 H new ATOM 785 N GLU A 48 4.928 13.831 4.087 1.00 0.61 N ATOM 786 CA GLU A 48 3.928 12.810 4.365 1.00 0.63 C ATOM 787 C GLU A 48 2.601 13.124 3.681 1.00 0.63 C ATOM 788 O GLU A 48 1.762 12.241 3.516 1.00 0.65 O ATOM 789 CB GLU A 48 3.706 12.681 5.875 1.00 0.76 C ATOM 790 CG GLU A 48 3.267 13.979 6.540 1.00 0.95 C ATOM 791 CD GLU A 48 2.380 13.744 7.745 1.00 1.21 C ATOM 792 OE1 GLU A 48 2.883 13.241 8.772 1.00 1.86 O ATOM 793 OE2 GLU A 48 1.172 14.066 7.675 1.00 1.79 O ATOM 0 H GLU A 48 4.877 14.648 4.696 1.00 0.61 H new ATOM 0 HA GLU A 48 4.304 11.867 3.968 1.00 0.63 H new ATOM 0 HB2 GLU A 48 2.952 11.915 6.059 1.00 0.76 H new ATOM 0 HB3 GLU A 48 4.629 12.338 6.342 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.148 14.542 6.846 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.733 14.592 5.814 1.00 0.95 H new ATOM 800 N GLU A 49 2.428 14.376 3.270 1.00 0.66 N ATOM 801 CA GLU A 49 1.192 14.821 2.626 1.00 0.74 C ATOM 802 C GLU A 49 0.858 13.980 1.393 1.00 0.68 C ATOM 803 O GLU A 49 -0.276 13.528 1.229 1.00 0.72 O ATOM 804 CB GLU A 49 1.306 16.295 2.232 1.00 0.86 C ATOM 805 CG GLU A 49 -0.010 16.920 1.797 1.00 1.10 C ATOM 806 CD GLU A 49 -1.022 16.998 2.919 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.781 16.026 3.112 1.00 1.69 O ATOM 808 OE2 GLU A 49 -1.074 18.042 3.607 1.00 1.81 O ATOM 0 H GLU A 49 3.132 15.107 3.371 1.00 0.66 H new ATOM 0 HA GLU A 49 0.383 14.695 3.346 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.702 16.857 3.078 1.00 0.86 H new ATOM 0 HB3 GLU A 49 2.028 16.389 1.420 1.00 0.86 H new ATOM 0 HG2 GLU A 49 0.179 17.923 1.414 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.429 16.339 0.976 1.00 1.10 H new ATOM 815 N VAL A 50 1.856 13.751 0.552 1.00 0.63 N ATOM 816 CA VAL A 50 1.663 12.979 -0.675 1.00 0.60 C ATOM 817 C VAL A 50 1.450 11.490 -0.397 1.00 0.54 C ATOM 818 O VAL A 50 0.943 10.760 -1.247 1.00 0.54 O ATOM 819 CB VAL A 50 2.860 13.142 -1.639 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.922 14.561 -2.178 1.00 0.75 C ATOM 821 CG2 VAL A 50 4.169 12.769 -0.953 1.00 0.62 C ATOM 0 H VAL A 50 2.809 14.087 0.693 1.00 0.63 H new ATOM 0 HA VAL A 50 0.762 13.378 -1.141 1.00 0.60 H new ATOM 0 HB VAL A 50 2.714 12.461 -2.478 1.00 0.64 H new ATOM 0 HG11 VAL A 50 3.771 14.656 -2.855 1.00 0.75 H new ATOM 0 HG12 VAL A 50 2.002 14.786 -2.717 1.00 0.75 H new ATOM 0 HG13 VAL A 50 3.038 15.260 -1.350 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.995 12.893 -1.653 1.00 0.62 H new ATOM 0 HG22 VAL A 50 4.325 13.416 -0.090 1.00 0.62 H new ATOM 0 HG23 VAL A 50 4.124 11.731 -0.624 1.00 0.62 H new ATOM 831 N LEU A 51 1.818 11.044 0.794 1.00 0.52 N ATOM 832 CA LEU A 51 1.681 9.638 1.155 1.00 0.50 C ATOM 833 C LEU A 51 0.356 9.363 1.857 1.00 0.53 C ATOM 834 O LEU A 51 -0.325 8.385 1.554 1.00 0.55 O ATOM 835 CB LEU A 51 2.839 9.202 2.055 1.00 0.48 C ATOM 836 CG LEU A 51 4.231 9.306 1.431 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.289 8.898 2.441 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.321 8.443 0.180 1.00 0.47 C ATOM 0 H LEU A 51 2.213 11.633 1.527 1.00 0.52 H new ATOM 0 HA LEU A 51 1.702 9.062 0.230 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.820 9.807 2.961 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.672 8.168 2.358 1.00 0.48 H new ATOM 0 HG LEU A 51 4.408 10.342 1.143 1.00 0.46 H new ATOM 0 HD11 LEU A 51 6.276 8.976 1.985 1.00 0.49 H new ATOM 0 HD12 LEU A 51 5.237 9.556 3.309 1.00 0.49 H new ATOM 0 HD13 LEU A 51 5.115 7.869 2.755 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.319 8.529 -0.251 1.00 0.47 H new ATOM 0 HD22 LEU A 51 4.127 7.403 0.441 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.582 8.778 -0.547 1.00 0.47 H new ATOM 850 N ARG A 52 -0.017 10.240 2.781 1.00 0.59 N ATOM 851 CA ARG A 52 -1.251 10.072 3.546 1.00 0.66 C ATOM 852 C ARG A 52 -2.497 10.124 2.660 1.00 0.65 C ATOM 853 O ARG A 52 -3.520 9.531 2.993 1.00 0.69 O ATOM 854 CB ARG A 52 -1.339 11.127 4.657 1.00 0.79 C ATOM 855 CG ARG A 52 -1.307 12.562 4.153 1.00 0.97 C ATOM 856 CD ARG A 52 -2.666 13.226 4.268 1.00 1.22 C ATOM 857 NE ARG A 52 -3.048 13.452 5.659 1.00 1.50 N ATOM 858 CZ ARG A 52 -3.038 14.644 6.253 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.648 15.725 5.591 1.00 2.00 N ATOM 860 NH2 ARG A 52 -3.416 14.757 7.517 1.00 2.61 N ATOM 0 H ARG A 52 0.516 11.076 3.020 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.218 9.079 3.995 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.259 10.971 5.220 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.512 10.978 5.351 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.574 13.132 4.723 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -0.982 12.575 3.113 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.651 14.178 3.737 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.417 12.602 3.783 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.341 12.646 6.211 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.352 15.648 4.618 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -2.644 16.633 6.055 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -3.715 13.931 8.036 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -3.408 15.670 7.972 1.00 2.61 H new ATOM 874 N GLU A 53 -2.407 10.812 1.530 1.00 0.64 N ATOM 875 CA GLU A 53 -3.546 10.928 0.628 1.00 0.68 C ATOM 876 C GLU A 53 -3.696 9.685 -0.251 1.00 0.65 C ATOM 877 O GLU A 53 -4.677 9.543 -0.977 1.00 0.78 O ATOM 878 CB GLU A 53 -3.420 12.183 -0.235 1.00 0.72 C ATOM 879 CG GLU A 53 -2.182 12.217 -1.113 1.00 0.67 C ATOM 880 CD GLU A 53 -2.088 13.496 -1.922 1.00 0.81 C ATOM 881 OE1 GLU A 53 -3.149 14.051 -2.288 1.00 1.26 O ATOM 882 OE2 GLU A 53 -0.965 13.958 -2.189 1.00 1.35 O ATOM 0 H GLU A 53 -1.565 11.295 1.217 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.445 11.011 1.239 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.303 12.264 -0.869 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.414 13.058 0.415 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.294 12.118 -0.489 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.194 11.362 -1.789 1.00 0.67 H new ATOM 889 N GLN A 54 -2.721 8.787 -0.180 1.00 0.57 N ATOM 890 CA GLN A 54 -2.760 7.555 -0.962 1.00 0.58 C ATOM 891 C GLN A 54 -2.760 6.350 -0.033 1.00 0.57 C ATOM 892 O GLN A 54 -2.644 5.204 -0.473 1.00 0.60 O ATOM 893 CB GLN A 54 -1.565 7.490 -1.917 1.00 0.57 C ATOM 894 CG GLN A 54 -1.495 8.661 -2.885 1.00 0.64 C ATOM 895 CD GLN A 54 -2.524 8.570 -3.996 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.241 8.062 -5.079 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.726 9.065 -3.738 1.00 0.96 N ATOM 0 H GLN A 54 -1.895 8.887 0.410 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.675 7.544 -1.554 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.645 7.457 -1.333 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.615 6.562 -2.486 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.643 9.590 -2.335 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.498 8.705 -3.323 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -3.922 9.479 -2.827 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.455 9.032 -4.451 1.00 0.96 H new ATOM 906 N ALA A 55 -2.899 6.622 1.257 1.00 0.58 N ATOM 907 CA ALA A 55 -2.908 5.579 2.271 1.00 0.60 C ATOM 908 C ALA A 55 -4.110 4.657 2.093 1.00 0.61 C ATOM 909 O ALA A 55 -5.256 5.109 2.116 1.00 0.68 O ATOM 910 CB ALA A 55 -2.918 6.202 3.660 1.00 0.65 C ATOM 0 H ALA A 55 -3.008 7.566 1.628 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.004 4.981 2.158 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.925 5.413 4.412 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -2.028 6.819 3.789 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.808 6.821 3.775 1.00 0.65 H new ATOM 916 N GLY A 56 -3.842 3.368 1.902 1.00 0.59 N ATOM 917 CA GLY A 56 -4.913 2.402 1.730 1.00 0.64 C ATOM 918 C GLY A 56 -5.437 2.368 0.310 1.00 0.62 C ATOM 919 O GLY A 56 -6.530 1.858 0.055 1.00 0.66 O ATOM 0 H GLY A 56 -2.901 2.975 1.863 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.552 1.411 2.005 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.730 2.644 2.410 1.00 0.64 H new ATOM 923 N GLY A 57 -4.666 2.921 -0.612 1.00 0.63 N ATOM 924 CA GLY A 57 -5.064 2.934 -2.002 1.00 0.65 C ATOM 925 C GLY A 57 -3.884 2.755 -2.933 1.00 0.59 C ATOM 926 O GLY A 57 -2.740 2.641 -2.476 1.00 0.55 O ATOM 0 H GLY A 57 -3.767 3.363 -0.421 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -5.789 2.139 -2.179 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.563 3.876 -2.227 1.00 0.65 H new ATOM 930 N ASP A 58 -4.154 2.714 -4.233 1.00 0.65 N ATOM 931 CA ASP A 58 -3.098 2.553 -5.226 1.00 0.62 C ATOM 932 C ASP A 58 -2.401 3.879 -5.463 1.00 0.61 C ATOM 933 O ASP A 58 -3.017 4.850 -5.902 1.00 0.71 O ATOM 934 CB ASP A 58 -3.653 2.007 -6.549 1.00 0.69 C ATOM 935 CG ASP A 58 -2.564 1.782 -7.586 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.236 2.732 -8.326 1.00 1.51 O ATOM 937 OD2 ASP A 58 -2.031 0.652 -7.670 1.00 1.32 O ATOM 0 H ASP A 58 -5.093 2.790 -4.623 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.379 1.831 -4.839 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.172 1.067 -6.362 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.390 2.705 -6.946 1.00 0.69 H new ATOM 942 N ALA A 59 -1.119 3.918 -5.154 1.00 0.55 N ATOM 943 CA ALA A 59 -0.329 5.123 -5.328 1.00 0.57 C ATOM 944 C ALA A 59 0.533 5.012 -6.576 1.00 0.54 C ATOM 945 O ALA A 59 1.380 5.869 -6.839 1.00 0.54 O ATOM 946 CB ALA A 59 0.536 5.368 -4.098 1.00 0.60 C ATOM 0 H ALA A 59 -0.599 3.124 -4.779 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.003 5.971 -5.450 1.00 0.57 H new ATOM 0 HB1 ALA A 59 1.124 6.275 -4.241 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -0.102 5.484 -3.222 1.00 0.60 H new ATOM 0 HB3 ALA A 59 1.206 4.521 -3.950 1.00 0.60 H new ATOM 952 N THR A 60 0.296 3.961 -7.354 1.00 0.56 N ATOM 953 CA THR A 60 1.056 3.723 -8.572 1.00 0.57 C ATOM 954 C THR A 60 0.836 4.849 -9.577 1.00 0.57 C ATOM 955 O THR A 60 1.740 5.186 -10.343 1.00 0.58 O ATOM 956 CB THR A 60 0.686 2.372 -9.211 1.00 0.64 C ATOM 957 OG1 THR A 60 0.508 1.385 -8.186 1.00 0.67 O ATOM 958 CG2 THR A 60 1.770 1.912 -10.176 1.00 0.71 C ATOM 0 H THR A 60 -0.419 3.260 -7.160 1.00 0.56 H new ATOM 0 HA THR A 60 2.110 3.695 -8.296 1.00 0.57 H new ATOM 0 HB THR A 60 -0.243 2.499 -9.767 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.357 0.940 -8.307 1.00 0.67 H new ATOM 0 HG21 THR A 60 1.485 0.955 -10.614 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.891 2.652 -10.967 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.711 1.799 -9.638 1.00 0.71 H new ATOM 966 N GLU A 61 -0.357 5.443 -9.549 1.00 0.62 N ATOM 967 CA GLU A 61 -0.695 6.543 -10.448 1.00 0.67 C ATOM 968 C GLU A 61 0.292 7.694 -10.282 1.00 0.63 C ATOM 969 O GLU A 61 0.628 8.381 -11.243 1.00 0.74 O ATOM 970 CB GLU A 61 -2.125 7.036 -10.197 1.00 0.78 C ATOM 971 CG GLU A 61 -2.391 7.478 -8.761 1.00 0.83 C ATOM 972 CD GLU A 61 -3.585 8.407 -8.651 1.00 1.06 C ATOM 973 OE1 GLU A 61 -3.453 9.595 -9.001 1.00 1.64 O ATOM 974 OE2 GLU A 61 -4.665 7.950 -8.218 1.00 1.48 O ATOM 0 H GLU A 61 -1.107 5.179 -8.910 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.633 6.171 -11.471 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -2.332 7.871 -10.867 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.823 6.239 -10.455 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.560 6.599 -8.139 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.507 7.980 -8.369 1.00 0.83 H new ATOM 981 N ASN A 62 0.766 7.887 -9.056 1.00 0.56 N ATOM 982 CA ASN A 62 1.724 8.946 -8.759 1.00 0.55 C ATOM 983 C ASN A 62 3.147 8.409 -8.824 1.00 0.50 C ATOM 984 O ASN A 62 4.082 9.131 -9.165 1.00 0.50 O ATOM 985 CB ASN A 62 1.453 9.543 -7.374 1.00 0.58 C ATOM 986 CG ASN A 62 0.386 10.620 -7.398 1.00 0.82 C ATOM 987 OD1 ASN A 62 0.262 11.372 -8.364 1.00 1.28 O ATOM 988 ND2 ASN A 62 -0.395 10.700 -6.333 1.00 1.32 N ATOM 0 H ASN A 62 0.501 7.322 -8.249 1.00 0.56 H new ATOM 0 HA ASN A 62 1.609 9.730 -9.507 1.00 0.55 H new ATOM 0 HB2 ASN A 62 1.146 8.748 -6.694 1.00 0.58 H new ATOM 0 HB3 ASN A 62 2.377 9.962 -6.977 1.00 0.58 H new ATOM 0 HD21 ASN A 62 -1.132 11.404 -6.293 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.260 10.058 -5.552 1.00 1.32 H new ATOM 995 N PHE A 63 3.293 7.130 -8.503 1.00 0.48 N ATOM 996 CA PHE A 63 4.589 6.461 -8.514 1.00 0.46 C ATOM 997 C PHE A 63 5.215 6.489 -9.910 1.00 0.49 C ATOM 998 O PHE A 63 6.361 6.911 -10.075 1.00 0.50 O ATOM 999 CB PHE A 63 4.425 5.013 -8.041 1.00 0.48 C ATOM 1000 CG PHE A 63 5.709 4.335 -7.652 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.211 4.454 -6.365 1.00 0.63 C ATOM 1002 CD2 PHE A 63 6.408 3.571 -8.570 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.385 3.823 -6.002 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.582 2.937 -8.213 1.00 0.77 C ATOM 1005 CZ PHE A 63 8.072 3.064 -6.928 1.00 0.73 C ATOM 0 H PHE A 63 2.518 6.527 -8.228 1.00 0.48 H new ATOM 0 HA PHE A 63 5.256 6.993 -7.836 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.748 4.998 -7.187 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.950 4.436 -8.835 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.677 5.047 -5.637 1.00 0.63 H new ATOM 0 HD2 PHE A 63 6.031 3.469 -9.577 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.765 3.923 -4.996 1.00 0.76 H new ATOM 0 HE2 PHE A 63 8.117 2.342 -8.939 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.991 2.570 -6.648 1.00 0.73 H new ATOM 1015 N GLU A 64 4.449 6.062 -10.913 1.00 0.53 N ATOM 1016 CA GLU A 64 4.941 6.030 -12.288 1.00 0.58 C ATOM 1017 C GLU A 64 4.931 7.424 -12.915 1.00 0.57 C ATOM 1018 O GLU A 64 5.672 7.691 -13.859 1.00 0.65 O ATOM 1019 CB GLU A 64 4.110 5.057 -13.134 1.00 0.69 C ATOM 1020 CG GLU A 64 2.664 5.485 -13.331 1.00 1.08 C ATOM 1021 CD GLU A 64 1.890 4.526 -14.210 1.00 1.47 C ATOM 1022 OE1 GLU A 64 1.333 3.544 -13.680 1.00 1.89 O ATOM 1023 OE2 GLU A 64 1.828 4.754 -15.440 1.00 1.88 O ATOM 0 H GLU A 64 3.490 5.735 -10.799 1.00 0.53 H new ATOM 0 HA GLU A 64 5.973 5.681 -12.264 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.582 4.947 -14.111 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.126 4.075 -12.660 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.175 5.558 -12.360 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.640 6.480 -13.776 1.00 1.08 H new ATOM 1030 N ASP A 65 4.097 8.308 -12.376 1.00 0.54 N ATOM 1031 CA ASP A 65 3.985 9.671 -12.889 1.00 0.55 C ATOM 1032 C ASP A 65 5.235 10.478 -12.564 1.00 0.53 C ATOM 1033 O ASP A 65 5.770 11.191 -13.412 1.00 0.58 O ATOM 1034 CB ASP A 65 2.751 10.362 -12.303 1.00 0.57 C ATOM 1035 CG ASP A 65 2.526 11.738 -12.891 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.428 11.849 -14.128 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.445 12.719 -12.120 1.00 0.79 O ATOM 0 H ASP A 65 3.488 8.105 -11.583 1.00 0.54 H new ATOM 0 HA ASP A 65 3.880 9.616 -13.973 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.872 9.744 -12.485 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.864 10.446 -11.222 1.00 0.57 H new ATOM 1042 N VAL A 66 5.703 10.354 -11.331 1.00 0.50 N ATOM 1043 CA VAL A 66 6.892 11.069 -10.891 1.00 0.52 C ATOM 1044 C VAL A 66 8.159 10.392 -11.409 1.00 0.50 C ATOM 1045 O VAL A 66 9.092 11.058 -11.861 1.00 0.55 O ATOM 1046 CB VAL A 66 6.955 11.159 -9.348 1.00 0.56 C ATOM 1047 CG1 VAL A 66 8.209 11.890 -8.885 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.710 11.842 -8.803 1.00 0.60 C ATOM 0 H VAL A 66 5.277 9.764 -10.616 1.00 0.50 H new ATOM 0 HA VAL A 66 6.830 12.077 -11.301 1.00 0.52 H new ATOM 0 HB VAL A 66 6.997 10.143 -8.957 1.00 0.56 H new ATOM 0 HG11 VAL A 66 8.222 11.936 -7.796 1.00 0.67 H new ATOM 0 HG12 VAL A 66 9.092 11.356 -9.237 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.211 12.902 -9.291 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.771 11.897 -7.716 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.638 12.849 -9.214 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.827 11.270 -9.088 1.00 0.60 H new ATOM 1058 N GLY A 67 8.182 9.066 -11.361 1.00 0.50 N ATOM 1059 CA GLY A 67 9.353 8.336 -11.810 1.00 0.54 C ATOM 1060 C GLY A 67 10.330 8.124 -10.674 1.00 0.54 C ATOM 1061 O GLY A 67 10.801 9.092 -10.074 1.00 0.82 O ATOM 0 H GLY A 67 7.415 8.485 -11.021 1.00 0.50 H new ATOM 0 HA2 GLY A 67 9.050 7.372 -12.218 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.841 8.884 -12.616 1.00 0.54 H new ATOM 1065 N HIS A 68 10.644 6.871 -10.375 1.00 0.45 N ATOM 1066 CA HIS A 68 11.545 6.564 -9.270 1.00 0.42 C ATOM 1067 C HIS A 68 12.845 5.929 -9.740 1.00 0.47 C ATOM 1068 O HIS A 68 12.962 5.481 -10.882 1.00 0.58 O ATOM 1069 CB HIS A 68 10.845 5.655 -8.260 1.00 0.39 C ATOM 1070 CG HIS A 68 9.986 6.405 -7.293 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.708 6.834 -7.574 1.00 0.35 N ATOM 1072 CD2 HIS A 68 10.252 6.822 -6.031 1.00 0.41 C ATOM 1073 CE1 HIS A 68 8.249 7.487 -6.500 1.00 0.35 C ATOM 1074 NE2 HIS A 68 9.146 7.508 -5.536 1.00 0.40 N ATOM 0 H HIS A 68 10.292 6.056 -10.877 1.00 0.45 H new ATOM 0 HA HIS A 68 11.806 7.508 -8.792 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.231 4.931 -8.796 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.596 5.090 -7.708 1.00 0.39 H new ATOM 0 HD2 HIS A 68 11.174 6.650 -5.495 1.00 0.41 H new ATOM 0 HE1 HIS A 68 7.270 7.938 -6.432 1.00 0.35 H new ATOM 0 HE2 HIS A 68 9.050 7.938 -4.616 1.00 0.40 H new ATOM 1082 N SER A 69 13.818 5.898 -8.839 1.00 0.45 N ATOM 1083 CA SER A 69 15.124 5.332 -9.119 1.00 0.50 C ATOM 1084 C SER A 69 15.094 3.803 -9.067 1.00 0.50 C ATOM 1085 O SER A 69 14.201 3.203 -8.461 1.00 0.46 O ATOM 1086 CB SER A 69 16.128 5.872 -8.105 1.00 0.55 C ATOM 1087 OG SER A 69 15.473 6.244 -6.903 1.00 1.01 O ATOM 0 H SER A 69 13.720 6.266 -7.893 1.00 0.45 H new ATOM 0 HA SER A 69 15.420 5.621 -10.128 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.883 5.115 -7.895 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.648 6.734 -8.524 1.00 0.55 H new ATOM 0 HG SER A 69 16.132 6.586 -6.264 1.00 1.01 H new ATOM 1093 N THR A 70 16.086 3.181 -9.691 1.00 0.59 N ATOM 1094 CA THR A 70 16.185 1.731 -9.736 1.00 0.64 C ATOM 1095 C THR A 70 16.281 1.124 -8.339 1.00 0.61 C ATOM 1096 O THR A 70 15.578 0.165 -8.020 1.00 0.66 O ATOM 1097 CB THR A 70 17.414 1.309 -10.556 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.839 2.411 -11.369 1.00 0.89 O ATOM 1099 CG2 THR A 70 17.089 0.109 -11.433 1.00 1.08 C ATOM 0 H THR A 70 16.840 3.666 -10.177 1.00 0.59 H new ATOM 0 HA THR A 70 15.276 1.359 -10.208 1.00 0.64 H new ATOM 0 HB THR A 70 18.216 1.025 -9.874 1.00 0.78 H new ATOM 0 HG1 THR A 70 18.512 2.934 -10.885 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.973 -0.173 -12.005 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.780 -0.727 -10.806 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.281 0.367 -12.117 1.00 1.08 H new ATOM 1107 N ASP A 71 17.134 1.698 -7.501 1.00 0.60 N ATOM 1108 CA ASP A 71 17.320 1.196 -6.142 1.00 0.61 C ATOM 1109 C ASP A 71 16.076 1.431 -5.289 1.00 0.54 C ATOM 1110 O ASP A 71 15.783 0.654 -4.385 1.00 0.56 O ATOM 1111 CB ASP A 71 18.540 1.848 -5.484 1.00 0.70 C ATOM 1112 CG ASP A 71 18.830 1.282 -4.105 1.00 0.97 C ATOM 1113 OD1 ASP A 71 18.988 0.046 -3.980 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.914 2.070 -3.140 1.00 1.29 O ATOM 0 H ASP A 71 17.707 2.509 -7.735 1.00 0.60 H new ATOM 0 HA ASP A 71 17.490 0.121 -6.209 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.412 1.706 -6.122 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.375 2.923 -5.405 1.00 0.70 H new ATOM 1119 N ALA A 72 15.333 2.489 -5.594 1.00 0.48 N ATOM 1120 CA ALA A 72 14.125 2.818 -4.842 1.00 0.44 C ATOM 1121 C ALA A 72 13.085 1.705 -4.948 1.00 0.42 C ATOM 1122 O ALA A 72 12.531 1.255 -3.938 1.00 0.43 O ATOM 1123 CB ALA A 72 13.542 4.136 -5.326 1.00 0.47 C ATOM 0 H ALA A 72 15.545 3.134 -6.356 1.00 0.48 H new ATOM 0 HA ALA A 72 14.401 2.919 -3.792 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.642 4.367 -4.756 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.274 4.931 -5.186 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.291 4.056 -6.384 1.00 0.47 H new ATOM 1129 N ARG A 73 12.833 1.241 -6.168 1.00 0.44 N ATOM 1130 CA ARG A 73 11.856 0.179 -6.379 1.00 0.48 C ATOM 1131 C ARG A 73 12.376 -1.152 -5.838 1.00 0.49 C ATOM 1132 O ARG A 73 11.595 -2.024 -5.454 1.00 0.56 O ATOM 1133 CB ARG A 73 11.469 0.065 -7.863 1.00 0.54 C ATOM 1134 CG ARG A 73 12.607 -0.331 -8.795 1.00 0.68 C ATOM 1135 CD ARG A 73 12.608 -1.826 -9.086 1.00 0.74 C ATOM 1136 NE ARG A 73 11.308 -2.300 -9.567 1.00 0.90 N ATOM 1137 CZ ARG A 73 10.874 -3.554 -9.434 1.00 1.08 C ATOM 1138 NH1 ARG A 73 11.634 -4.467 -8.843 1.00 1.08 N ATOM 1139 NH2 ARG A 73 9.677 -3.898 -9.889 1.00 1.36 N ATOM 0 H ARG A 73 13.286 1.579 -7.017 1.00 0.44 H new ATOM 0 HA ARG A 73 10.954 0.437 -5.825 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.668 -0.668 -7.959 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.066 1.022 -8.193 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.519 0.221 -9.731 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.559 -0.048 -8.346 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.372 -2.048 -9.831 1.00 0.74 H new ATOM 0 HD3 ARG A 73 12.878 -2.370 -8.181 1.00 0.74 H new ATOM 0 HE ARG A 73 10.697 -1.629 -10.033 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.555 -4.211 -8.488 1.00 1.08 H new ATOM 0 HH12 ARG A 73 11.297 -5.425 -8.744 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.085 -3.203 -10.343 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.349 -4.858 -9.785 1.00 1.36 H new ATOM 1153 N GLU A 74 13.697 -1.297 -5.790 1.00 0.47 N ATOM 1154 CA GLU A 74 14.313 -2.519 -5.286 1.00 0.51 C ATOM 1155 C GLU A 74 14.303 -2.534 -3.759 1.00 0.49 C ATOM 1156 O GLU A 74 14.274 -3.594 -3.138 1.00 0.55 O ATOM 1157 CB GLU A 74 15.739 -2.657 -5.813 1.00 0.57 C ATOM 1158 CG GLU A 74 15.808 -2.959 -7.304 1.00 0.65 C ATOM 1159 CD GLU A 74 15.265 -4.333 -7.649 1.00 0.75 C ATOM 1160 OE1 GLU A 74 14.026 -4.493 -7.726 1.00 0.84 O ATOM 1161 OE2 GLU A 74 16.073 -5.262 -7.849 1.00 1.01 O ATOM 0 H GLU A 74 14.360 -0.584 -6.094 1.00 0.47 H new ATOM 0 HA GLU A 74 13.731 -3.369 -5.642 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.283 -1.734 -5.611 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.245 -3.452 -5.265 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.244 -2.203 -7.850 1.00 0.65 H new ATOM 0 HG3 GLU A 74 16.843 -2.888 -7.637 1.00 0.65 H new ATOM 1168 N LEU A 75 14.326 -1.350 -3.159 1.00 0.47 N ATOM 1169 CA LEU A 75 14.293 -1.224 -1.708 1.00 0.48 C ATOM 1170 C LEU A 75 12.898 -1.569 -1.198 1.00 0.43 C ATOM 1171 O LEU A 75 12.729 -2.073 -0.089 1.00 0.44 O ATOM 1172 CB LEU A 75 14.679 0.202 -1.290 1.00 0.53 C ATOM 1173 CG LEU A 75 14.426 0.556 0.178 1.00 0.56 C ATOM 1174 CD1 LEU A 75 15.312 -0.269 1.096 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.658 2.040 0.411 1.00 0.61 C ATOM 0 H LEU A 75 14.368 -0.461 -3.657 1.00 0.47 H new ATOM 0 HA LEU A 75 15.013 -1.916 -1.271 1.00 0.48 H new ATOM 0 HB2 LEU A 75 15.738 0.349 -1.503 1.00 0.53 H new ATOM 0 HB3 LEU A 75 14.128 0.905 -1.914 1.00 0.53 H new ATOM 0 HG LEU A 75 13.387 0.323 0.410 1.00 0.56 H new ATOM 0 HD11 LEU A 75 15.113 0.001 2.133 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.101 -1.328 0.950 1.00 0.65 H new ATOM 0 HD13 LEU A 75 16.359 -0.073 0.864 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.474 2.277 1.459 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.688 2.292 0.157 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.978 2.617 -0.216 1.00 0.61 H new ATOM 1187 N SER A 76 11.904 -1.330 -2.043 1.00 0.45 N ATOM 1188 CA SER A 76 10.516 -1.609 -1.701 1.00 0.46 C ATOM 1189 C SER A 76 10.257 -3.116 -1.643 1.00 0.43 C ATOM 1190 O SER A 76 9.191 -3.560 -1.209 1.00 0.45 O ATOM 1191 CB SER A 76 9.587 -0.952 -2.722 1.00 0.55 C ATOM 1192 OG SER A 76 9.860 0.436 -2.836 1.00 0.82 O ATOM 0 H SER A 76 12.035 -0.941 -2.977 1.00 0.45 H new ATOM 0 HA SER A 76 10.315 -1.194 -0.713 1.00 0.46 H new ATOM 0 HB2 SER A 76 9.710 -1.432 -3.693 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.549 -1.099 -2.423 1.00 0.55 H new ATOM 0 HG SER A 76 10.732 0.564 -3.264 1.00 0.82 H new ATOM 1198 N LYS A 77 11.247 -3.898 -2.058 1.00 0.45 N ATOM 1199 CA LYS A 77 11.134 -5.350 -2.064 1.00 0.51 C ATOM 1200 C LYS A 77 10.980 -5.896 -0.645 1.00 0.47 C ATOM 1201 O LYS A 77 10.401 -6.959 -0.439 1.00 0.56 O ATOM 1202 CB LYS A 77 12.366 -5.964 -2.726 1.00 0.63 C ATOM 1203 CG LYS A 77 12.182 -7.407 -3.148 1.00 0.94 C ATOM 1204 CD LYS A 77 13.478 -7.988 -3.678 1.00 1.20 C ATOM 1205 CE LYS A 77 13.237 -9.283 -4.428 1.00 1.60 C ATOM 1206 NZ LYS A 77 14.495 -9.854 -4.971 1.00 1.89 N ATOM 0 H LYS A 77 12.143 -3.547 -2.397 1.00 0.45 H new ATOM 0 HA LYS A 77 10.243 -5.620 -2.632 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.629 -5.371 -3.602 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.206 -5.902 -2.035 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.836 -7.996 -2.299 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.411 -7.470 -3.916 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.958 -7.267 -4.339 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.164 -8.167 -2.850 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.769 -10.007 -3.761 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.538 -9.104 -5.245 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 14.285 -10.738 -5.476 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.929 -9.175 -5.628 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 15.153 -10.049 -4.190 1.00 1.89 H new ATOM 1220 N THR A 78 11.491 -5.160 0.332 1.00 0.42 N ATOM 1221 CA THR A 78 11.403 -5.585 1.721 1.00 0.48 C ATOM 1222 C THR A 78 10.172 -4.982 2.401 1.00 0.43 C ATOM 1223 O THR A 78 9.966 -5.154 3.603 1.00 0.53 O ATOM 1224 CB THR A 78 12.683 -5.206 2.507 1.00 0.59 C ATOM 1225 OG1 THR A 78 12.737 -5.913 3.755 1.00 0.84 O ATOM 1226 CG2 THR A 78 12.754 -3.706 2.768 1.00 0.63 C ATOM 0 H THR A 78 11.969 -4.270 0.189 1.00 0.42 H new ATOM 0 HA THR A 78 11.307 -6.671 1.724 1.00 0.48 H new ATOM 0 HB THR A 78 13.537 -5.490 1.893 1.00 0.59 H new ATOM 0 HG1 THR A 78 13.552 -5.663 4.238 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.664 -3.476 3.321 1.00 0.63 H new ATOM 0 HG22 THR A 78 12.762 -3.171 1.818 1.00 0.63 H new ATOM 0 HG23 THR A 78 11.887 -3.397 3.351 1.00 0.63 H new ATOM 1234 N PHE A 79 9.345 -4.290 1.624 1.00 0.36 N ATOM 1235 CA PHE A 79 8.143 -3.665 2.164 1.00 0.38 C ATOM 1236 C PHE A 79 6.900 -4.476 1.815 1.00 0.32 C ATOM 1237 O PHE A 79 5.904 -4.427 2.531 1.00 0.33 O ATOM 1238 CB PHE A 79 7.982 -2.233 1.637 1.00 0.46 C ATOM 1239 CG PHE A 79 9.088 -1.293 2.043 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.770 -1.466 3.237 1.00 0.96 C ATOM 1241 CD2 PHE A 79 9.443 -0.233 1.222 1.00 1.10 C ATOM 1242 CE1 PHE A 79 10.786 -0.605 3.601 1.00 1.01 C ATOM 1243 CE2 PHE A 79 10.457 0.632 1.583 1.00 1.16 C ATOM 1244 CZ PHE A 79 11.130 0.446 2.774 1.00 0.70 C ATOM 0 H PHE A 79 9.484 -4.148 0.623 1.00 0.36 H new ATOM 0 HA PHE A 79 8.253 -3.634 3.248 1.00 0.38 H new ATOM 0 HB2 PHE A 79 7.928 -2.263 0.549 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.032 -1.833 1.992 1.00 0.46 H new ATOM 0 HD1 PHE A 79 9.504 -2.284 3.890 1.00 0.96 H new ATOM 0 HD2 PHE A 79 8.920 -0.082 0.289 1.00 1.10 H new ATOM 0 HE1 PHE A 79 11.312 -0.753 4.533 1.00 1.01 H new ATOM 0 HE2 PHE A 79 10.723 1.453 0.934 1.00 1.16 H new ATOM 0 HZ PHE A 79 11.924 1.121 3.058 1.00 0.70 H new ATOM 1254 N ILE A 80 6.955 -5.219 0.716 1.00 0.38 N ATOM 1255 CA ILE A 80 5.811 -6.020 0.289 1.00 0.36 C ATOM 1256 C ILE A 80 5.511 -7.139 1.288 1.00 0.33 C ATOM 1257 O ILE A 80 6.352 -7.999 1.554 1.00 0.42 O ATOM 1258 CB ILE A 80 6.015 -6.612 -1.129 1.00 0.46 C ATOM 1259 CG1 ILE A 80 4.801 -7.457 -1.533 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.296 -7.431 -1.205 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.853 -7.958 -2.961 1.00 0.72 C ATOM 0 H ILE A 80 7.771 -5.285 0.108 1.00 0.38 H new ATOM 0 HA ILE A 80 4.954 -5.347 0.252 1.00 0.36 H new ATOM 0 HB ILE A 80 6.111 -5.785 -1.832 1.00 0.46 H new ATOM 0 HG12 ILE A 80 4.725 -8.311 -0.861 1.00 0.46 H new ATOM 0 HG13 ILE A 80 3.896 -6.864 -1.399 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.412 -7.833 -2.211 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.149 -6.795 -0.968 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.246 -8.252 -0.490 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.961 -8.547 -3.173 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.897 -7.109 -3.643 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.739 -8.579 -3.097 1.00 0.72 H new ATOM 1273 N ILE A 81 4.321 -7.097 1.870 1.00 0.28 N ATOM 1274 CA ILE A 81 3.903 -8.112 2.834 1.00 0.32 C ATOM 1275 C ILE A 81 2.835 -9.012 2.223 1.00 0.29 C ATOM 1276 O ILE A 81 2.419 -10.005 2.822 1.00 0.31 O ATOM 1277 CB ILE A 81 3.362 -7.506 4.156 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.042 -6.747 3.932 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.407 -6.607 4.806 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.207 -5.327 3.432 1.00 0.77 C ATOM 0 H ILE A 81 3.626 -6.372 1.693 1.00 0.28 H new ATOM 0 HA ILE A 81 4.794 -8.690 3.078 1.00 0.32 H new ATOM 0 HB ILE A 81 3.152 -8.331 4.836 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.436 -7.302 3.216 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.487 -6.726 4.870 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.006 -6.193 5.731 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.301 -7.189 5.027 1.00 0.43 H new ATOM 0 HG23 ILE A 81 4.662 -5.795 4.126 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.226 -4.870 3.303 1.00 0.77 H new ATOM 0 HD12 ILE A 81 2.783 -4.751 4.156 1.00 0.77 H new ATOM 0 HD13 ILE A 81 2.731 -5.336 2.476 1.00 0.77 H new ATOM 1292 N GLY A 82 2.397 -8.660 1.026 1.00 0.32 N ATOM 1293 CA GLY A 82 1.394 -9.443 0.351 1.00 0.35 C ATOM 1294 C GLY A 82 0.853 -8.758 -0.884 1.00 0.31 C ATOM 1295 O GLY A 82 1.355 -7.712 -1.302 1.00 0.34 O ATOM 0 H GLY A 82 2.722 -7.842 0.510 1.00 0.32 H new ATOM 0 HA2 GLY A 82 1.819 -10.407 0.070 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.573 -9.645 1.039 1.00 0.35 H new ATOM 1299 N GLU A 83 -0.181 -9.344 -1.459 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.803 -8.808 -2.655 1.00 0.31 C ATOM 1301 C GLU A 83 -2.313 -8.760 -2.482 1.00 0.32 C ATOM 1302 O GLU A 83 -2.853 -9.280 -1.500 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.452 -9.665 -3.876 1.00 0.37 C ATOM 1304 CG GLU A 83 1.007 -9.580 -4.298 1.00 0.61 C ATOM 1305 CD GLU A 83 1.276 -10.298 -5.606 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.303 -10.651 -6.305 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.460 -10.507 -5.949 1.00 0.86 O ATOM 0 H GLU A 83 -0.612 -10.201 -1.112 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.426 -7.798 -2.814 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.696 -10.705 -3.658 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -1.079 -9.359 -4.713 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.293 -8.533 -4.397 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.634 -10.009 -3.516 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.988 -8.139 -3.435 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.437 -8.031 -3.393 1.00 0.44 C ATOM 1316 C LEU A 84 -5.080 -9.334 -3.842 1.00 0.40 C ATOM 1317 O LEU A 84 -4.515 -10.069 -4.663 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.926 -6.880 -4.282 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.069 -5.516 -3.594 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -5.938 -5.626 -2.347 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -3.704 -4.944 -3.243 1.00 0.87 C ATOM 0 H LEU A 84 -2.555 -7.701 -4.248 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.728 -7.825 -2.363 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -4.234 -6.773 -5.118 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.893 -7.157 -4.702 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.557 -4.836 -4.292 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.025 -4.647 -1.876 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -6.929 -5.984 -2.625 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -5.482 -6.326 -1.647 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -3.829 -3.977 -2.756 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.186 -5.626 -2.568 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.117 -4.819 -4.153 1.00 0.87 H new ATOM 1333 N HIS A 85 -6.251 -9.616 -3.287 1.00 0.45 N ATOM 1334 CA HIS A 85 -7.009 -10.818 -3.619 1.00 0.48 C ATOM 1335 C HIS A 85 -7.286 -10.883 -5.118 1.00 0.42 C ATOM 1336 O HIS A 85 -7.523 -9.854 -5.747 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.338 -10.819 -2.859 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.464 -11.914 -1.850 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -9.247 -13.027 -2.047 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.916 -12.055 -0.619 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -9.177 -13.805 -0.986 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -8.377 -13.239 -0.101 1.00 1.10 N ATOM 0 H HIS A 85 -6.703 -9.019 -2.594 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.418 -11.688 -3.331 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.456 -9.860 -2.355 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -9.154 -10.905 -3.576 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -9.797 -13.220 -2.884 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -7.242 -11.364 -0.135 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.688 -14.748 -0.861 1.00 1.48 H new ATOM 1351 N PRO A 86 -7.261 -12.090 -5.712 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.523 -12.269 -7.145 1.00 0.44 C ATOM 1353 C PRO A 86 -8.917 -11.782 -7.518 1.00 0.40 C ATOM 1354 O PRO A 86 -9.138 -11.261 -8.613 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.414 -13.784 -7.353 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.563 -14.373 -5.995 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.972 -13.370 -5.048 1.00 0.53 C ATOM 0 HA PRO A 86 -6.830 -11.700 -7.765 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.190 -14.146 -8.027 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.455 -14.053 -7.797 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.611 -14.560 -5.763 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -7.045 -15.330 -5.925 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.430 -13.426 -4.061 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.901 -13.523 -4.912 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.847 -11.955 -6.586 1.00 0.41 N ATOM 1366 CA ASP A 87 -11.231 -11.541 -6.767 1.00 0.43 C ATOM 1367 C ASP A 87 -11.319 -10.025 -6.869 1.00 0.41 C ATOM 1368 O ASP A 87 -12.184 -9.481 -7.551 1.00 0.47 O ATOM 1369 CB ASP A 87 -12.088 -12.018 -5.589 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.582 -13.306 -4.964 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.526 -13.275 -4.293 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.242 -14.353 -5.132 1.00 1.30 O ATOM 0 H ASP A 87 -9.661 -12.388 -5.681 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.603 -11.988 -7.689 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -12.114 -11.238 -4.828 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -13.113 -12.165 -5.930 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.401 -9.351 -6.195 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.357 -7.894 -6.196 1.00 0.50 C ATOM 1379 C ASP A 88 -9.306 -7.405 -7.183 1.00 0.49 C ATOM 1380 O ASP A 88 -8.982 -6.221 -7.230 1.00 0.64 O ATOM 1381 CB ASP A 88 -10.027 -7.368 -4.795 1.00 0.60 C ATOM 1382 CG ASP A 88 -11.095 -7.699 -3.772 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -12.141 -7.013 -3.753 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.894 -8.639 -2.969 1.00 1.20 O ATOM 0 H ASP A 88 -9.671 -9.792 -5.636 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.336 -7.519 -6.494 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -9.076 -7.790 -4.469 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.897 -6.287 -4.840 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.787 -8.330 -7.976 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.754 -8.011 -8.947 1.00 0.51 C ATOM 1391 C ARG A 89 -8.289 -8.063 -10.373 1.00 0.57 C ATOM 1392 O ARG A 89 -8.211 -7.082 -11.113 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.581 -8.985 -8.790 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.384 -8.656 -9.663 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.307 -9.721 -9.549 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.893 -9.939 -8.162 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.629 -10.100 -7.777 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.639 -10.055 -8.664 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.348 -10.309 -6.499 1.00 0.81 N ATOM 0 H ARG A 89 -9.066 -9.311 -7.965 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.414 -6.993 -8.758 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.266 -8.993 -7.747 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.924 -9.992 -9.026 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.702 -8.568 -10.702 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.974 -7.689 -9.372 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.677 -10.657 -9.968 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.442 -9.426 -10.143 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.619 -9.969 -7.446 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.845 -9.896 -9.650 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.674 -10.180 -8.358 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -3.100 -10.346 -5.811 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.380 -10.432 -6.203 1.00 0.81 H new ATOM 1413 N SER A 90 -8.851 -9.200 -10.752 1.00 0.50 N ATOM 1414 CA SER A 90 -9.366 -9.371 -12.103 1.00 0.59 C ATOM 1415 C SER A 90 -10.807 -9.874 -12.109 1.00 0.57 C ATOM 1416 O SER A 90 -11.191 -10.659 -12.975 1.00 0.88 O ATOM 1417 CB SER A 90 -8.465 -10.345 -12.865 1.00 0.71 C ATOM 1418 OG SER A 90 -7.923 -11.325 -11.991 1.00 1.16 O ATOM 0 H SER A 90 -8.962 -10.014 -10.148 1.00 0.50 H new ATOM 0 HA SER A 90 -9.364 -8.397 -12.592 1.00 0.59 H new ATOM 0 HB2 SER A 90 -9.036 -10.833 -13.655 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.657 -9.796 -13.348 1.00 0.71 H new ATOM 0 HG SER A 90 -7.352 -11.937 -12.500 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.604 -9.417 -11.155 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.998 -9.835 -11.072 1.00 0.49 C ATOM 1426 C LYS A 91 -13.880 -8.668 -10.638 1.00 0.51 C ATOM 1427 O LYS A 91 -14.694 -8.176 -11.419 1.00 0.59 O ATOM 1428 CB LYS A 91 -13.143 -11.014 -10.106 1.00 0.47 C ATOM 1429 CG LYS A 91 -14.071 -12.105 -10.615 1.00 1.02 C ATOM 1430 CD LYS A 91 -14.091 -13.307 -9.683 1.00 1.09 C ATOM 1431 CE LYS A 91 -12.821 -14.140 -9.803 1.00 1.24 C ATOM 1432 NZ LYS A 91 -12.851 -15.049 -10.983 1.00 1.76 N ATOM 0 H LYS A 91 -11.313 -8.760 -10.431 1.00 0.52 H new ATOM 0 HA LYS A 91 -13.324 -10.159 -12.060 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.159 -11.443 -9.919 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -13.517 -10.647 -9.150 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -15.080 -11.706 -10.716 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -13.752 -12.420 -11.608 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -14.206 -12.967 -8.654 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -14.956 -13.929 -9.912 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -11.960 -13.476 -9.880 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -12.689 -14.730 -8.896 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -11.967 -15.595 -11.023 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -13.657 -15.701 -10.899 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -12.950 -14.486 -11.852 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.707 -8.238 -9.388 1.00 0.48 N ATOM 1447 CA LEU A 92 -14.463 -7.118 -8.818 1.00 0.55 C ATOM 1448 C LEU A 92 -15.957 -7.429 -8.734 1.00 0.58 C ATOM 1449 O LEU A 92 -16.781 -6.521 -8.650 1.00 0.72 O ATOM 1450 CB LEU A 92 -14.243 -5.829 -9.630 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.973 -5.030 -9.300 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.848 -4.807 -7.801 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.737 -5.732 -9.840 1.00 0.90 C ATOM 0 H LEU A 92 -13.039 -8.655 -8.740 1.00 0.48 H new ATOM 0 HA LEU A 92 -14.088 -6.966 -7.806 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -14.219 -6.090 -10.688 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -15.105 -5.179 -9.482 1.00 0.65 H new ATOM 0 HG LEU A 92 -13.053 -4.057 -9.785 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.941 -4.239 -7.592 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.715 -4.252 -7.442 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.798 -5.770 -7.293 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.850 -5.148 -9.594 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.655 -6.722 -9.391 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.818 -5.830 -10.923 1.00 0.90 H new ATOM 1465 N SER A 93 -16.303 -8.710 -8.722 1.00 0.52 N ATOM 1466 CA SER A 93 -17.699 -9.137 -8.650 1.00 0.57 C ATOM 1467 C SER A 93 -18.168 -9.225 -7.197 1.00 0.58 C ATOM 1468 O SER A 93 -18.856 -10.170 -6.804 1.00 0.70 O ATOM 1469 CB SER A 93 -17.850 -10.491 -9.346 1.00 0.62 C ATOM 1470 OG SER A 93 -16.999 -10.568 -10.478 1.00 0.70 O ATOM 0 H SER A 93 -15.633 -9.478 -8.761 1.00 0.52 H new ATOM 0 HA SER A 93 -18.322 -8.399 -9.156 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.610 -11.293 -8.648 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.886 -10.635 -9.653 1.00 0.62 H new ATOM 0 HG SER A 93 -17.176 -11.400 -10.964 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.798 -8.227 -6.409 1.00 0.57 N ATOM 1477 CA LYS A 94 -18.166 -8.184 -5.005 1.00 0.60 C ATOM 1478 C LYS A 94 -19.096 -7.008 -4.737 1.00 0.71 C ATOM 1479 O LYS A 94 -18.996 -5.969 -5.392 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.915 -8.083 -4.127 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.189 -9.407 -3.944 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.759 -9.206 -3.463 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.715 -8.616 -2.063 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.335 -8.231 -1.667 1.00 0.93 N ATOM 0 H LYS A 94 -17.240 -7.433 -6.722 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.690 -9.107 -4.757 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -16.229 -7.360 -4.569 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -17.199 -7.696 -3.148 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.731 -10.022 -3.226 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.182 -9.951 -4.888 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.234 -10.161 -3.472 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -14.232 -8.546 -4.153 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -15.363 -7.741 -2.017 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.108 -9.341 -1.351 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -13.303 -8.059 -0.642 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.677 -8.999 -1.910 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -13.058 -7.365 -2.172 1.00 0.93 H new ATOM 1498 N PRO A 95 -20.023 -7.159 -3.781 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.969 -6.095 -3.431 1.00 0.92 C ATOM 1500 C PRO A 95 -20.305 -4.971 -2.643 1.00 0.95 C ATOM 1501 O PRO A 95 -19.326 -5.197 -1.928 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.999 -6.816 -2.564 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.258 -7.955 -1.956 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.228 -8.375 -2.968 1.00 0.84 C ATOM 0 HA PRO A 95 -21.393 -5.615 -4.313 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.404 -6.154 -1.798 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.842 -7.166 -3.160 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.785 -7.656 -1.020 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.933 -8.778 -1.723 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.304 -8.697 -2.489 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.580 -9.209 -3.576 1.00 0.84 H new ATOM 1512 N MET A 96 -20.837 -3.764 -2.768 1.00 1.06 N ATOM 1513 CA MET A 96 -20.277 -2.621 -2.065 1.00 1.14 C ATOM 1514 C MET A 96 -21.248 -2.096 -1.010 1.00 1.16 C ATOM 1515 O MET A 96 -21.094 -2.396 0.176 1.00 1.25 O ATOM 1516 CB MET A 96 -19.913 -1.511 -3.054 1.00 1.31 C ATOM 1517 CG MET A 96 -19.124 -0.369 -2.425 1.00 1.38 C ATOM 1518 SD MET A 96 -18.819 0.992 -3.572 1.00 1.63 S ATOM 1519 CE MET A 96 -20.491 1.544 -3.900 1.00 1.94 C ATOM 0 H MET A 96 -21.650 -3.552 -3.346 1.00 1.06 H new ATOM 0 HA MET A 96 -19.370 -2.949 -1.557 1.00 1.14 H new ATOM 0 HB2 MET A 96 -19.330 -1.939 -3.869 1.00 1.31 H new ATOM 0 HB3 MET A 96 -20.828 -1.112 -3.492 1.00 1.31 H new ATOM 0 HG2 MET A 96 -19.668 0.008 -1.559 1.00 1.38 H new ATOM 0 HG3 MET A 96 -18.170 -0.751 -2.061 1.00 1.38 H new ATOM 0 HE1 MET A 96 -20.501 2.628 -4.010 1.00 1.94 H new ATOM 0 HE2 MET A 96 -20.853 1.083 -4.819 1.00 1.94 H new ATOM 0 HE3 MET A 96 -21.138 1.257 -3.071 1.00 1.94 H new ATOM 1529 N GLU A 97 -22.252 -1.333 -1.458 1.00 1.14 N ATOM 1530 CA GLU A 97 -23.258 -0.739 -0.574 1.00 1.22 C ATOM 1531 C GLU A 97 -22.628 0.304 0.351 1.00 1.29 C ATOM 1532 O GLU A 97 -21.837 -0.024 1.238 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.987 -1.814 0.241 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.892 -1.242 1.322 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.650 -2.312 2.074 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -25.023 -3.036 2.879 1.00 2.38 O ATOM 1537 OE2 GLU A 97 -26.873 -2.438 1.860 1.00 2.57 O ATOM 0 H GLU A 97 -22.389 -1.111 -2.444 1.00 1.14 H new ATOM 0 HA GLU A 97 -23.994 -0.238 -1.203 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -24.583 -2.429 -0.433 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -23.250 -2.470 0.704 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -24.291 -0.665 2.026 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.602 -0.551 0.868 1.00 1.50 H new ATOM 1544 N THR A 98 -22.973 1.561 0.136 1.00 1.31 N ATOM 1545 CA THR A 98 -22.442 2.638 0.949 1.00 1.40 C ATOM 1546 C THR A 98 -23.357 3.858 0.889 1.00 1.39 C ATOM 1547 O THR A 98 -24.404 3.822 0.238 1.00 1.35 O ATOM 1548 CB THR A 98 -21.012 3.026 0.500 1.00 1.43 C ATOM 1549 OG1 THR A 98 -20.404 3.880 1.478 1.00 1.57 O ATOM 1550 CG2 THR A 98 -21.027 3.724 -0.855 1.00 1.37 C ATOM 0 H THR A 98 -23.619 1.860 -0.595 1.00 1.31 H new ATOM 0 HA THR A 98 -22.393 2.283 1.978 1.00 1.40 H new ATOM 0 HB THR A 98 -20.430 2.109 0.405 1.00 1.43 H new ATOM 0 HG1 THR A 98 -19.499 4.119 1.187 1.00 1.57 H new ATOM 0 HG21 THR A 98 -20.008 3.983 -1.142 1.00 1.37 H new ATOM 0 HG22 THR A 98 -21.456 3.057 -1.603 1.00 1.37 H new ATOM 0 HG23 THR A 98 -21.628 4.631 -0.790 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.947 4.927 1.574 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.701 6.177 1.621 1.00 1.48 C ATOM 1560 C LEU A 99 -25.147 5.939 2.042 1.00 1.52 C ATOM 1561 O LEU A 99 -26.079 6.232 1.295 1.00 1.53 O ATOM 1562 CB LEU A 99 -23.648 6.886 0.265 1.00 1.43 C ATOM 1563 CG LEU A 99 -22.301 7.528 -0.078 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -22.292 8.014 -1.517 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.997 8.675 0.876 1.00 1.61 C ATOM 0 H LEU A 99 -22.081 4.948 2.112 1.00 1.46 H new ATOM 0 HA LEU A 99 -23.237 6.818 2.370 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.899 6.166 -0.514 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -24.417 7.658 0.246 1.00 1.43 H new ATOM 0 HG LEU A 99 -21.523 6.773 0.034 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -21.327 8.467 -1.742 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -22.462 7.171 -2.187 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -23.081 8.753 -1.656 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -21.036 9.119 0.617 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -22.779 9.431 0.797 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.959 8.298 1.898 1.00 1.61 H new ATOM 1577 N ILE A 100 -25.323 5.390 3.238 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.649 5.110 3.770 1.00 1.68 C ATOM 1579 C ILE A 100 -26.797 5.716 5.163 1.00 1.72 C ATOM 1580 O ILE A 100 -27.400 5.124 6.058 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.929 3.593 3.837 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.685 2.831 4.318 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -27.392 3.082 2.478 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.922 1.351 4.520 1.00 1.79 C ATOM 0 H ILE A 100 -24.558 5.129 3.860 1.00 1.60 H new ATOM 0 HA ILE A 100 -27.374 5.561 3.093 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.727 3.418 4.559 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.883 2.966 3.592 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.342 3.267 5.256 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -27.586 2.011 2.539 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -28.305 3.600 2.186 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -26.616 3.269 1.736 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.001 0.878 4.860 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.701 1.206 5.268 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -26.235 0.901 3.578 1.00 1.79 H new ATOM 1596 N THR A 101 -26.239 6.901 5.339 1.00 1.73 N ATOM 1597 CA THR A 101 -26.291 7.594 6.617 1.00 1.77 C ATOM 1598 C THR A 101 -26.255 9.104 6.402 1.00 1.85 C ATOM 1599 O THR A 101 -25.414 9.609 5.657 1.00 1.80 O ATOM 1600 CB THR A 101 -25.114 7.174 7.524 1.00 1.70 C ATOM 1601 OG1 THR A 101 -24.946 5.750 7.478 1.00 1.85 O ATOM 1602 CG2 THR A 101 -25.349 7.605 8.963 1.00 1.98 C ATOM 0 H THR A 101 -25.741 7.408 4.607 1.00 1.73 H new ATOM 0 HA THR A 101 -27.225 7.320 7.108 1.00 1.77 H new ATOM 0 HB THR A 101 -24.214 7.666 7.156 1.00 1.70 H new ATOM 0 HG1 THR A 101 -24.197 5.490 8.054 1.00 1.85 H new ATOM 0 HG21 THR A 101 -24.504 7.296 9.578 1.00 1.98 H new ATOM 0 HG22 THR A 101 -25.451 8.689 9.006 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.260 7.139 9.338 1.00 1.98 H new ATOM 1610 N THR A 102 -27.169 9.819 7.050 1.00 2.05 N ATOM 1611 CA THR A 102 -27.243 11.268 6.928 1.00 2.18 C ATOM 1612 C THR A 102 -26.152 11.952 7.749 1.00 2.11 C ATOM 1613 O THR A 102 -26.418 12.529 8.804 1.00 2.23 O ATOM 1614 CB THR A 102 -28.623 11.787 7.375 1.00 2.58 C ATOM 1615 OG1 THR A 102 -29.638 10.846 6.994 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.922 13.144 6.750 1.00 2.72 C ATOM 0 H THR A 102 -27.872 9.414 7.668 1.00 2.05 H new ATOM 0 HA THR A 102 -27.092 11.511 5.876 1.00 2.18 H new ATOM 0 HB THR A 102 -28.615 11.901 8.459 1.00 2.58 H new ATOM 0 HG1 THR A 102 -30.515 11.177 7.281 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.902 13.489 7.081 1.00 2.72 H new ATOM 0 HG22 THR A 102 -28.162 13.862 7.058 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.917 13.053 5.664 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.924 11.887 7.254 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.788 12.501 7.929 1.00 2.08 C ATOM 1626 C VAL A 103 -23.655 13.975 7.540 1.00 2.14 C ATOM 1627 O VAL A 103 -22.550 14.496 7.385 1.00 2.25 O ATOM 1628 CB VAL A 103 -22.471 11.760 7.606 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -22.433 10.408 8.306 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -22.295 11.590 6.102 1.00 1.94 C ATOM 0 H VAL A 103 -24.688 11.413 6.382 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.973 12.429 9.001 1.00 2.08 H new ATOM 0 HB VAL A 103 -21.643 12.365 7.976 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -21.498 9.901 8.067 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -22.501 10.554 9.384 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -23.272 9.800 7.969 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -21.361 11.066 5.902 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -23.128 11.013 5.701 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -22.270 12.570 5.625 1.00 1.94 H new ATOM 1640 N ASP A 104 -24.791 14.641 7.394 1.00 2.18 N ATOM 1641 CA ASP A 104 -24.816 16.048 7.018 1.00 2.30 C ATOM 1642 C ASP A 104 -24.756 16.925 8.255 1.00 2.65 C ATOM 1643 O ASP A 104 -23.874 17.807 8.319 1.00 2.86 O ATOM 1644 CB ASP A 104 -26.083 16.365 6.222 1.00 2.32 C ATOM 1645 CG ASP A 104 -25.794 16.652 4.763 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -25.457 17.806 4.426 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -25.905 15.722 3.936 1.00 2.82 O ATOM 0 H ASP A 104 -25.713 14.227 7.531 1.00 2.18 H new ATOM 0 HA ASP A 104 -23.946 16.252 6.394 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -26.773 15.525 6.294 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -26.582 17.226 6.667 1.00 2.32 H new