USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 586 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 Single : A 9 TYR OH : rot 180:sc= -0.0727 USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.11) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.15) USER MOD Single : A 19 MET CE :methyl -153:sc= 0 (180deg=-0.506) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.697 X(o=-0.7,f=-0.3) USER MOD Single : A 42 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.033) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 35:sc= 0.823 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 165:sc= -0.0329 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -157:sc= 0.8 (180deg=0.445) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.296 K(o=0.3,f=-4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.0075) USER MOD Single : A 90 ASN : amide:sc= 0.737 K(o=0.74,f=0) USER MOD ----------------------------------------------------------------- ATOM 81 N TYR A 9 -5.034 -6.418 -9.931 1.00 0.00 N ATOM 82 CA TYR A 9 -3.858 -5.606 -9.698 1.00 0.00 C ATOM 83 C TYR A 9 -2.880 -5.893 -10.834 1.00 0.00 C ATOM 84 O TYR A 9 -2.892 -6.991 -11.401 1.00 0.00 O ATOM 85 CB TYR A 9 -3.258 -5.950 -8.326 1.00 0.00 C ATOM 86 CG TYR A 9 -4.187 -5.653 -7.161 1.00 0.00 C ATOM 87 CD1 TYR A 9 -4.385 -4.321 -6.753 1.00 0.00 C ATOM 88 CD2 TYR A 9 -4.922 -6.685 -6.544 1.00 0.00 C ATOM 89 CE1 TYR A 9 -5.295 -4.021 -5.724 1.00 0.00 C ATOM 90 CE2 TYR A 9 -5.837 -6.392 -5.516 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.018 -5.057 -5.099 1.00 0.00 C ATOM 92 OH TYR A 9 -6.903 -4.757 -4.116 1.00 0.00 O ATOM 0 HA TYR A 9 -4.098 -4.543 -9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.995 -7.008 -8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.333 -5.390 -8.193 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.835 -3.525 -7.233 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.782 -7.708 -6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.440 -2.997 -5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.399 -7.187 -5.048 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.320 -5.581 -3.789 1.00 0.00 H new ATOM 102 N LYS A 10 -2.006 -4.938 -11.152 1.00 0.00 N ATOM 103 CA LYS A 10 -1.055 -5.017 -12.261 1.00 0.00 C ATOM 104 C LYS A 10 0.267 -4.389 -11.837 1.00 0.00 C ATOM 105 O LYS A 10 0.293 -3.635 -10.863 1.00 0.00 O ATOM 106 CB LYS A 10 -1.648 -4.326 -13.502 1.00 0.00 C ATOM 107 CG LYS A 10 -1.977 -2.837 -13.282 1.00 0.00 C ATOM 108 CD LYS A 10 -2.607 -2.239 -14.544 1.00 0.00 C ATOM 109 CE LYS A 10 -3.051 -0.783 -14.350 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.919 0.132 -14.125 1.00 0.00 N ATOM 0 H LYS A 10 -1.938 -4.064 -10.631 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.864 -6.058 -12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.943 -4.415 -14.329 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.556 -4.850 -13.800 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.661 -2.729 -12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.069 -2.291 -13.027 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.889 -2.290 -15.363 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.467 -2.841 -14.836 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.607 -0.457 -15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.733 -0.726 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.262 1.114 -14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.474 -0.085 -13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.221 0.014 -14.887 1.00 0.00 H new ATOM 124 N ALA A 11 1.354 -4.699 -12.547 1.00 0.00 N ATOM 125 CA ALA A 11 2.681 -4.220 -12.182 1.00 0.00 C ATOM 126 C ALA A 11 2.711 -2.694 -12.112 1.00 0.00 C ATOM 127 O ALA A 11 2.110 -2.009 -12.942 1.00 0.00 O ATOM 128 CB ALA A 11 3.726 -4.717 -13.180 1.00 0.00 C ATOM 0 H ALA A 11 1.336 -5.284 -13.383 1.00 0.00 H new ATOM 0 HA ALA A 11 2.919 -4.617 -11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.710 -4.349 -12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.734 -5.807 -13.186 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.481 -4.350 -14.177 1.00 0.00 H new ATOM 134 N GLY A 12 3.434 -2.167 -11.129 1.00 0.00 N ATOM 135 CA GLY A 12 3.633 -0.744 -10.925 1.00 0.00 C ATOM 136 C GLY A 12 2.541 -0.105 -10.077 1.00 0.00 C ATOM 137 O GLY A 12 2.759 1.002 -9.585 1.00 0.00 O ATOM 0 H GLY A 12 3.911 -2.740 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.598 -0.583 -10.445 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.671 -0.246 -11.894 1.00 0.00 H new ATOM 141 N ASP A 13 1.397 -0.762 -9.870 1.00 0.00 N ATOM 142 CA ASP A 13 0.344 -0.205 -9.023 1.00 0.00 C ATOM 143 C ASP A 13 0.715 -0.331 -7.549 1.00 0.00 C ATOM 144 O ASP A 13 1.653 -1.049 -7.175 1.00 0.00 O ATOM 145 CB ASP A 13 -1.025 -0.845 -9.321 1.00 0.00 C ATOM 146 CG ASP A 13 -1.743 -0.108 -10.462 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.131 0.193 -11.512 1.00 0.00 O ATOM 148 OD2 ASP A 13 -2.947 0.211 -10.306 1.00 0.00 O ATOM 0 H ASP A 13 1.179 -1.673 -10.274 1.00 0.00 H new ATOM 0 HA ASP A 13 0.254 0.856 -9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.890 -1.893 -9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.643 -0.823 -8.424 1.00 0.00 H new ATOM 153 N LEU A 14 -0.066 0.348 -6.707 1.00 0.00 N ATOM 154 CA LEU A 14 0.191 0.518 -5.287 1.00 0.00 C ATOM 155 C LEU A 14 -1.009 -0.010 -4.525 1.00 0.00 C ATOM 156 O LEU A 14 -2.152 0.189 -4.967 1.00 0.00 O ATOM 157 CB LEU A 14 0.430 2.014 -4.997 1.00 0.00 C ATOM 158 CG LEU A 14 1.723 2.560 -5.628 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.841 4.069 -5.379 1.00 0.00 C ATOM 160 CD2 LEU A 14 2.936 1.784 -5.096 1.00 0.00 C ATOM 0 H LEU A 14 -0.924 0.809 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 14 1.078 -0.033 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.418 2.589 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.469 2.166 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 14 1.691 2.415 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.760 4.442 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.986 4.579 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.861 4.260 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.846 2.177 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.992 1.894 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.832 0.729 -5.349 1.00 0.00 H new ATOM 172 N VAL A 15 -0.770 -0.649 -3.377 1.00 0.00 N ATOM 173 CA VAL A 15 -1.818 -1.270 -2.569 1.00 0.00 C ATOM 174 C VAL A 15 -1.501 -1.139 -1.080 1.00 0.00 C ATOM 175 O VAL A 15 -0.423 -0.679 -0.694 1.00 0.00 O ATOM 176 CB VAL A 15 -2.021 -2.740 -3.003 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.422 -2.814 -4.476 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.785 -3.611 -2.796 1.00 0.00 C ATOM 0 H VAL A 15 0.164 -0.750 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.760 -0.747 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.814 -3.127 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.560 -3.856 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.354 -2.269 -4.627 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.638 -2.370 -5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.999 -4.629 -3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.044 -3.210 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.517 -3.617 -1.740 1.00 0.00 H new ATOM 188 N PHE A 16 -2.427 -1.591 -0.236 1.00 0.00 N ATOM 189 CA PHE A 16 -2.121 -1.997 1.123 1.00 0.00 C ATOM 190 C PHE A 16 -2.257 -3.511 1.201 1.00 0.00 C ATOM 191 O PHE A 16 -3.280 -4.078 0.815 1.00 0.00 O ATOM 192 CB PHE A 16 -3.028 -1.310 2.146 1.00 0.00 C ATOM 193 CG PHE A 16 -2.849 0.188 2.207 1.00 0.00 C ATOM 194 CD1 PHE A 16 -3.608 1.016 1.362 1.00 0.00 C ATOM 195 CD2 PHE A 16 -1.910 0.753 3.090 1.00 0.00 C ATOM 196 CE1 PHE A 16 -3.438 2.407 1.409 1.00 0.00 C ATOM 197 CE2 PHE A 16 -1.733 2.146 3.129 1.00 0.00 C ATOM 198 CZ PHE A 16 -2.499 2.973 2.289 1.00 0.00 C ATOM 0 H PHE A 16 -3.412 -1.684 -0.482 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.103 -1.694 1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.067 -1.533 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.832 -1.731 3.132 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.321 0.581 0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.326 0.116 3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.029 3.044 0.768 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.010 2.581 3.803 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.366 4.044 2.320 1.00 0.00 H new ATOM 208 N ALA A 17 -1.246 -4.141 1.778 1.00 0.00 N ATOM 209 CA ALA A 17 -1.118 -5.548 2.105 1.00 0.00 C ATOM 210 C ALA A 17 -1.619 -5.757 3.537 1.00 0.00 C ATOM 211 O ALA A 17 -1.786 -4.784 4.285 1.00 0.00 O ATOM 212 CB ALA A 17 0.380 -5.851 2.018 1.00 0.00 C ATOM 0 H ALA A 17 -0.411 -3.625 2.056 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.691 -6.195 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.553 -6.901 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.735 -5.642 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.920 -5.226 2.729 1.00 0.00 H new ATOM 218 N LYS A 18 -1.892 -6.996 3.945 1.00 0.00 N ATOM 219 CA LYS A 18 -2.323 -7.304 5.300 1.00 0.00 C ATOM 220 C LYS A 18 -1.843 -8.703 5.686 1.00 0.00 C ATOM 221 O LYS A 18 -2.442 -9.703 5.290 1.00 0.00 O ATOM 222 CB LYS A 18 -3.859 -7.187 5.360 1.00 0.00 C ATOM 223 CG LYS A 18 -4.392 -7.148 6.794 1.00 0.00 C ATOM 224 CD LYS A 18 -4.008 -5.846 7.509 1.00 0.00 C ATOM 225 CE LYS A 18 -4.773 -5.646 8.820 1.00 0.00 C ATOM 226 NZ LYS A 18 -4.319 -6.579 9.868 1.00 0.00 N ATOM 0 H LYS A 18 -1.819 -7.814 3.340 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.892 -6.603 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.171 -6.284 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.305 -8.031 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.477 -7.249 6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.999 -7.998 7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.938 -5.851 7.714 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.202 -5.002 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.641 -4.620 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.839 -5.788 8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.800 -6.357 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.545 -7.554 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.291 -6.485 9.995 1.00 0.00 H new ATOM 240 N MET A 19 -0.827 -8.777 6.541 1.00 0.00 N ATOM 241 CA MET A 19 -0.364 -10.014 7.165 1.00 0.00 C ATOM 242 C MET A 19 -1.108 -10.237 8.490 1.00 0.00 C ATOM 243 O MET A 19 -2.013 -9.475 8.858 1.00 0.00 O ATOM 244 CB MET A 19 1.174 -9.993 7.288 1.00 0.00 C ATOM 245 CG MET A 19 1.802 -10.289 5.919 1.00 0.00 C ATOM 246 SD MET A 19 3.606 -10.492 5.851 1.00 0.00 S ATOM 247 CE MET A 19 4.194 -8.861 6.364 1.00 0.00 C ATOM 0 H MET A 19 -0.289 -7.959 6.827 1.00 0.00 H new ATOM 0 HA MET A 19 -0.600 -10.877 6.543 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.507 -9.020 7.650 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.501 -10.734 8.018 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.346 -11.199 5.529 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.529 -9.480 5.241 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.177 -8.676 5.931 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.496 -8.098 6.020 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.264 -8.825 7.451 1.00 0.00 H new ATOM 257 N LYS A 20 -0.796 -11.330 9.194 1.00 0.00 N ATOM 258 CA LYS A 20 -1.631 -11.846 10.279 1.00 0.00 C ATOM 259 C LYS A 20 -1.347 -11.168 11.622 1.00 0.00 C ATOM 260 O LYS A 20 -0.980 -11.817 12.595 1.00 0.00 O ATOM 261 CB LYS A 20 -1.537 -13.385 10.326 1.00 0.00 C ATOM 262 CG LYS A 20 -2.874 -14.048 10.700 1.00 0.00 C ATOM 263 CD LYS A 20 -3.896 -14.022 9.546 1.00 0.00 C ATOM 264 CE LYS A 20 -4.938 -12.900 9.637 1.00 0.00 C ATOM 265 NZ LYS A 20 -5.741 -12.828 8.402 1.00 0.00 N ATOM 0 H LYS A 20 0.045 -11.882 9.026 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.669 -11.589 10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.211 -13.755 9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.776 -13.677 11.050 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.692 -15.081 10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.297 -13.539 11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.357 -13.923 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.415 -14.980 9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.592 -13.074 10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.438 -11.946 9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.439 -12.062 8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.116 -12.640 7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.234 -13.732 8.256 1.00 0.00 H new ATOM 279 N GLY A 21 -1.559 -9.858 11.695 1.00 0.00 N ATOM 280 CA GLY A 21 -1.480 -9.076 12.925 1.00 0.00 C ATOM 281 C GLY A 21 -0.804 -7.740 12.667 1.00 0.00 C ATOM 282 O GLY A 21 -1.093 -6.747 13.337 1.00 0.00 O ATOM 0 H GLY A 21 -1.797 -9.295 10.878 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.481 -8.912 13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.924 -9.631 13.680 1.00 0.00 H new ATOM 286 N TYR A 22 0.068 -7.690 11.661 1.00 0.00 N ATOM 287 CA TYR A 22 0.592 -6.445 11.136 1.00 0.00 C ATOM 288 C TYR A 22 -0.562 -5.589 10.599 1.00 0.00 C ATOM 289 O TYR A 22 -1.595 -6.118 10.172 1.00 0.00 O ATOM 290 CB TYR A 22 1.657 -6.745 10.069 1.00 0.00 C ATOM 291 CG TYR A 22 2.967 -7.247 10.650 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.639 -6.471 11.619 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.515 -8.478 10.233 1.00 0.00 C ATOM 294 CE1 TYR A 22 4.830 -6.935 12.200 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.725 -8.929 10.791 1.00 0.00 C ATOM 296 CZ TYR A 22 5.378 -8.166 11.784 1.00 0.00 C ATOM 297 OH TYR A 22 6.574 -8.562 12.284 1.00 0.00 O ATOM 0 H TYR A 22 0.428 -8.520 11.190 1.00 0.00 H new ATOM 0 HA TYR A 22 1.079 -5.871 11.925 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.266 -7.490 9.376 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.847 -5.840 9.491 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.234 -5.514 11.915 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.007 -9.072 9.488 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.324 -6.351 12.962 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.156 -9.862 10.459 1.00 0.00 H new ATOM 0 HH TYR A 22 6.817 -9.431 11.902 1.00 0.00 H new ATOM 307 N PRO A 23 -0.393 -4.258 10.642 1.00 0.00 N ATOM 308 CA PRO A 23 -1.354 -3.290 10.132 1.00 0.00 C ATOM 309 C PRO A 23 -1.489 -3.410 8.612 1.00 0.00 C ATOM 310 O PRO A 23 -0.734 -4.149 7.979 1.00 0.00 O ATOM 311 CB PRO A 23 -0.805 -1.924 10.567 1.00 0.00 C ATOM 312 CG PRO A 23 0.695 -2.165 10.741 1.00 0.00 C ATOM 313 CD PRO A 23 0.777 -3.598 11.191 1.00 0.00 C ATOM 0 HA PRO A 23 -2.360 -3.449 10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.002 -1.158 9.817 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.265 -1.586 11.496 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.237 -2.007 9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.126 -1.488 11.479 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.693 -4.067 10.833 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.788 -3.665 12.279 1.00 0.00 H new ATOM 321 N HIS A 24 -2.430 -2.663 8.026 1.00 0.00 N ATOM 322 CA HIS A 24 -2.546 -2.490 6.581 1.00 0.00 C ATOM 323 C HIS A 24 -1.236 -1.856 6.110 1.00 0.00 C ATOM 324 O HIS A 24 -1.041 -0.656 6.319 1.00 0.00 O ATOM 325 CB HIS A 24 -3.764 -1.610 6.239 1.00 0.00 C ATOM 326 CG HIS A 24 -5.046 -2.038 6.903 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.584 -1.490 8.046 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.890 -3.027 6.479 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.693 -2.183 8.341 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.916 -3.146 7.428 1.00 0.00 N ATOM 0 H HIS A 24 -3.141 -2.156 8.553 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.706 -3.442 6.076 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.546 -0.581 6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.909 -1.615 5.159 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.785 -3.611 5.577 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.323 -1.994 9.197 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.677 -3.825 7.426 1.00 0.00 H new ATOM 338 N TRP A 25 -0.299 -2.672 5.621 1.00 0.00 N ATOM 339 CA TRP A 25 1.064 -2.252 5.326 1.00 0.00 C ATOM 340 C TRP A 25 1.069 -1.744 3.891 1.00 0.00 C ATOM 341 O TRP A 25 0.500 -2.409 3.030 1.00 0.00 O ATOM 342 CB TRP A 25 2.061 -3.409 5.516 1.00 0.00 C ATOM 343 CG TRP A 25 3.459 -2.978 5.856 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.407 -2.572 4.980 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.087 -2.907 7.172 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.563 -2.234 5.656 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.416 -2.410 7.019 1.00 0.00 C ATOM 348 CE3 TRP A 25 3.672 -3.246 8.478 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.276 -2.245 8.116 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.529 -3.090 9.584 1.00 0.00 C ATOM 351 CH2 TRP A 25 5.829 -2.586 9.405 1.00 0.00 C ATOM 0 H TRP A 25 -0.473 -3.656 5.418 1.00 0.00 H new ATOM 0 HA TRP A 25 1.381 -1.466 6.012 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.693 -4.062 6.307 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.089 -4.001 4.601 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.279 -2.520 3.909 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.415 -1.898 5.207 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.676 -3.633 8.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.274 -1.859 7.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.187 -3.358 10.573 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.483 -2.461 10.255 1.00 0.00 H new ATOM 362 N PRO A 26 1.636 -0.573 3.594 1.00 0.00 N ATOM 363 CA PRO A 26 1.705 -0.094 2.222 1.00 0.00 C ATOM 364 C PRO A 26 2.653 -1.003 1.418 1.00 0.00 C ATOM 365 O PRO A 26 3.706 -1.404 1.919 1.00 0.00 O ATOM 366 CB PRO A 26 2.196 1.341 2.366 1.00 0.00 C ATOM 367 CG PRO A 26 3.105 1.271 3.599 1.00 0.00 C ATOM 368 CD PRO A 26 2.330 0.325 4.502 1.00 0.00 C ATOM 0 HA PRO A 26 0.762 -0.118 1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.740 1.672 1.482 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.370 2.038 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.095 0.885 3.356 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.248 2.249 4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.998 -0.223 5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.628 0.869 5.134 1.00 0.00 H new ATOM 376 N ALA A 27 2.265 -1.382 0.201 1.00 0.00 N ATOM 377 CA ALA A 27 2.977 -2.362 -0.614 1.00 0.00 C ATOM 378 C ALA A 27 2.850 -1.987 -2.095 1.00 0.00 C ATOM 379 O ALA A 27 1.993 -1.175 -2.469 1.00 0.00 O ATOM 380 CB ALA A 27 2.402 -3.755 -0.316 1.00 0.00 C ATOM 0 H ALA A 27 1.431 -1.009 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 27 4.040 -2.372 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.923 -4.500 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.534 -3.985 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.340 -3.770 -0.560 1.00 0.00 H new ATOM 386 N ARG A 28 3.691 -2.560 -2.959 1.00 0.00 N ATOM 387 CA ARG A 28 3.693 -2.272 -4.396 1.00 0.00 C ATOM 388 C ARG A 28 3.633 -3.562 -5.190 1.00 0.00 C ATOM 389 O ARG A 28 4.140 -4.592 -4.728 1.00 0.00 O ATOM 390 CB ARG A 28 4.901 -1.388 -4.723 1.00 0.00 C ATOM 391 CG ARG A 28 6.259 -2.087 -4.914 1.00 0.00 C ATOM 392 CD ARG A 28 6.905 -1.908 -6.295 1.00 0.00 C ATOM 393 NE ARG A 28 8.257 -1.336 -6.176 1.00 0.00 N ATOM 394 CZ ARG A 28 8.668 -0.233 -6.810 1.00 0.00 C ATOM 395 NH1 ARG A 28 8.062 0.147 -7.928 1.00 0.00 N ATOM 396 NH2 ARG A 28 9.649 0.489 -6.284 1.00 0.00 N ATOM 0 H ARG A 28 4.396 -3.242 -2.679 1.00 0.00 H new ATOM 0 HA ARG A 28 2.804 -1.712 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.676 -0.834 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.009 -0.655 -3.923 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.950 -1.714 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.129 -3.153 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.957 -2.871 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.284 -1.256 -6.909 1.00 0.00 H new ATOM 0 HE ARG A 28 8.924 -1.813 -5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.287 -0.402 -8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.372 0.988 -8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.080 0.200 -5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.972 1.333 -6.758 1.00 0.00 H new ATOM 410 N ILE A 29 2.968 -3.539 -6.340 1.00 0.00 N ATOM 411 CA ILE A 29 2.937 -4.684 -7.233 1.00 0.00 C ATOM 412 C ILE A 29 4.255 -4.606 -7.997 1.00 0.00 C ATOM 413 O ILE A 29 4.435 -3.730 -8.855 1.00 0.00 O ATOM 414 CB ILE A 29 1.689 -4.672 -8.142 1.00 0.00 C ATOM 415 CG1 ILE A 29 0.367 -4.380 -7.395 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.591 -6.011 -8.901 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.081 -5.411 -6.368 1.00 0.00 C ATOM 0 H ILE A 29 2.441 -2.732 -6.674 1.00 0.00 H new ATOM 0 HA ILE A 29 2.851 -5.632 -6.702 1.00 0.00 H new ATOM 0 HB ILE A 29 1.822 -3.845 -8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.466 -3.419 -6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.425 -4.271 -8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.710 -6.002 -9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.483 -6.149 -9.512 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.511 -6.830 -8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.019 -5.090 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.225 -6.374 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.680 -5.508 -5.594 1.00 0.00 H new ATOM 429 N ASP A 30 5.206 -5.452 -7.610 1.00 0.00 N ATOM 430 CA ASP A 30 6.506 -5.513 -8.262 1.00 0.00 C ATOM 431 C ASP A 30 6.374 -6.307 -9.571 1.00 0.00 C ATOM 432 O ASP A 30 5.270 -6.672 -9.999 1.00 0.00 O ATOM 433 CB ASP A 30 7.568 -6.062 -7.292 1.00 0.00 C ATOM 434 CG ASP A 30 8.979 -5.538 -7.597 1.00 0.00 C ATOM 435 OD1 ASP A 30 9.239 -5.046 -8.720 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.826 -5.523 -6.680 1.00 0.00 O ATOM 0 H ASP A 30 5.096 -6.111 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 30 6.853 -4.516 -8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.297 -5.790 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.571 -7.151 -7.342 1.00 0.00 H new ATOM 441 N GLU A 31 7.485 -6.542 -10.256 1.00 0.00 N ATOM 442 CA GLU A 31 7.524 -7.092 -11.598 1.00 0.00 C ATOM 443 C GLU A 31 8.519 -8.246 -11.619 1.00 0.00 C ATOM 444 O GLU A 31 9.559 -8.186 -10.957 1.00 0.00 O ATOM 445 CB GLU A 31 7.819 -5.945 -12.573 1.00 0.00 C ATOM 446 CG GLU A 31 7.185 -6.176 -13.949 1.00 0.00 C ATOM 447 CD GLU A 31 6.672 -4.907 -14.646 1.00 0.00 C ATOM 448 OE1 GLU A 31 6.984 -3.774 -14.215 1.00 0.00 O ATOM 449 OE2 GLU A 31 5.804 -5.074 -15.539 1.00 0.00 O ATOM 0 H GLU A 31 8.412 -6.348 -9.878 1.00 0.00 H new ATOM 0 HA GLU A 31 6.574 -7.521 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.445 -5.010 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.898 -5.835 -12.686 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.920 -6.656 -14.595 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.354 -6.873 -13.838 1.00 0.00 H new ATOM 597 N ASN A 42 -3.136 -17.074 -9.075 1.00 0.00 N ATOM 598 CA ASN A 42 -4.169 -16.353 -8.332 1.00 0.00 C ATOM 599 C ASN A 42 -3.566 -15.287 -7.409 1.00 0.00 C ATOM 600 O ASN A 42 -4.261 -14.768 -6.537 1.00 0.00 O ATOM 601 CB ASN A 42 -5.032 -17.358 -7.529 1.00 0.00 C ATOM 602 CG ASN A 42 -6.503 -17.240 -7.899 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.381 -17.134 -7.045 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.791 -17.308 -9.186 1.00 0.00 N ATOM 0 HA ASN A 42 -4.803 -15.831 -9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.686 -18.374 -7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.907 -17.176 -6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.763 -17.273 -9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.042 -17.396 -9.872 1.00 0.00 H new ATOM 611 N LYS A 43 -2.263 -15.004 -7.531 1.00 0.00 N ATOM 612 CA LYS A 43 -1.511 -14.169 -6.603 1.00 0.00 C ATOM 613 C LYS A 43 -0.535 -13.303 -7.384 1.00 0.00 C ATOM 614 O LYS A 43 -0.214 -13.638 -8.524 1.00 0.00 O ATOM 615 CB LYS A 43 -0.748 -15.050 -5.604 1.00 0.00 C ATOM 616 CG LYS A 43 -1.647 -16.039 -4.848 1.00 0.00 C ATOM 617 CD LYS A 43 -0.882 -16.634 -3.669 1.00 0.00 C ATOM 618 CE LYS A 43 -1.565 -17.884 -3.122 1.00 0.00 C ATOM 619 NZ LYS A 43 -0.757 -18.487 -2.046 1.00 0.00 N ATOM 0 H LYS A 43 -1.694 -15.361 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.200 -13.530 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.023 -15.606 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.238 -14.411 -4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.544 -15.531 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.975 -16.833 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.132 -16.882 -3.982 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.799 -15.890 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.554 -17.628 -2.742 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.709 -18.607 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.237 -19.336 -1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.178 -18.750 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.641 -17.801 -1.273 1.00 0.00 H new ATOM 633 N TYR A 44 -0.022 -12.261 -6.733 1.00 0.00 N ATOM 634 CA TYR A 44 0.834 -11.242 -7.332 1.00 0.00 C ATOM 635 C TYR A 44 2.149 -11.164 -6.550 1.00 0.00 C ATOM 636 O TYR A 44 2.147 -11.513 -5.364 1.00 0.00 O ATOM 637 CB TYR A 44 0.125 -9.878 -7.300 1.00 0.00 C ATOM 638 CG TYR A 44 -1.333 -9.896 -7.711 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.691 -9.786 -9.066 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.331 -10.044 -6.730 1.00 0.00 C ATOM 641 CE1 TYR A 44 -3.044 -9.833 -9.445 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.683 -10.091 -7.103 1.00 0.00 C ATOM 643 CZ TYR A 44 -4.047 -9.990 -8.462 1.00 0.00 C ATOM 644 OH TYR A 44 -5.361 -10.059 -8.806 1.00 0.00 O ATOM 0 H TYR A 44 -0.197 -12.098 -5.741 1.00 0.00 H new ATOM 0 HA TYR A 44 1.042 -11.506 -8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.196 -9.474 -6.290 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.662 -9.193 -7.956 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.925 -9.665 -9.818 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.056 -10.122 -5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.317 -9.749 -10.487 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.447 -10.205 -6.348 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.905 -10.168 -7.998 1.00 0.00 H new ATOM 654 N PRO A 45 3.264 -10.734 -7.167 1.00 0.00 N ATOM 655 CA PRO A 45 4.493 -10.379 -6.465 1.00 0.00 C ATOM 656 C PRO A 45 4.270 -9.119 -5.617 1.00 0.00 C ATOM 657 O PRO A 45 4.344 -7.990 -6.121 1.00 0.00 O ATOM 658 CB PRO A 45 5.537 -10.163 -7.563 1.00 0.00 C ATOM 659 CG PRO A 45 4.695 -9.677 -8.740 1.00 0.00 C ATOM 660 CD PRO A 45 3.397 -10.459 -8.593 1.00 0.00 C ATOM 0 HA PRO A 45 4.821 -11.152 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.286 -9.427 -7.270 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.071 -11.083 -7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.523 -8.602 -8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.182 -9.882 -9.694 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.548 -9.883 -8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.429 -11.384 -9.169 1.00 0.00 H new ATOM 668 N ILE A 46 3.958 -9.306 -4.331 1.00 0.00 N ATOM 669 CA ILE A 46 3.839 -8.184 -3.409 1.00 0.00 C ATOM 670 C ILE A 46 5.207 -7.972 -2.767 1.00 0.00 C ATOM 671 O ILE A 46 5.676 -8.818 -1.997 1.00 0.00 O ATOM 672 CB ILE A 46 2.726 -8.414 -2.362 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.385 -8.845 -3.006 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.574 -7.184 -1.457 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.744 -7.815 -3.949 1.00 0.00 C ATOM 0 H ILE A 46 3.785 -10.220 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 46 3.541 -7.284 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 46 3.031 -9.251 -1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.549 -9.768 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.676 -9.074 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.786 -7.365 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.514 -6.996 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.314 -6.316 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.189 -8.216 -4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.540 -6.896 -3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.426 -7.602 -4.772 1.00 0.00 H new ATOM 687 N PHE A 47 5.833 -6.835 -3.079 1.00 0.00 N ATOM 688 CA PHE A 47 6.949 -6.307 -2.303 1.00 0.00 C ATOM 689 C PHE A 47 6.350 -5.498 -1.152 1.00 0.00 C ATOM 690 O PHE A 47 5.256 -4.945 -1.291 1.00 0.00 O ATOM 691 CB PHE A 47 7.795 -5.434 -3.239 1.00 0.00 C ATOM 692 CG PHE A 47 9.027 -4.757 -2.668 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.058 -5.510 -2.088 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.199 -3.375 -2.823 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.259 -4.899 -1.701 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.384 -2.756 -2.409 1.00 0.00 C ATOM 697 CZ PHE A 47 11.424 -3.515 -1.853 1.00 0.00 C ATOM 0 H PHE A 47 5.577 -6.256 -3.879 1.00 0.00 H new ATOM 0 HA PHE A 47 7.590 -7.086 -1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.114 -6.055 -4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.147 -4.658 -3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.926 -6.571 -1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.411 -2.783 -3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.058 -5.495 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.498 -1.688 -2.518 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.343 -3.038 -1.545 1.00 0.00 H new ATOM 707 N PHE A 48 7.055 -5.424 -0.025 1.00 0.00 N ATOM 708 CA PHE A 48 6.595 -4.776 1.190 1.00 0.00 C ATOM 709 C PHE A 48 7.593 -3.681 1.544 1.00 0.00 C ATOM 710 O PHE A 48 8.591 -3.942 2.224 1.00 0.00 O ATOM 711 CB PHE A 48 6.448 -5.790 2.334 1.00 0.00 C ATOM 712 CG PHE A 48 5.334 -6.817 2.223 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.468 -7.926 1.367 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.201 -6.716 3.053 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.500 -8.941 1.370 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.235 -7.737 3.062 1.00 0.00 C ATOM 717 CZ PHE A 48 3.397 -8.864 2.237 1.00 0.00 C ATOM 0 H PHE A 48 7.988 -5.826 0.065 1.00 0.00 H new ATOM 0 HA PHE A 48 5.609 -4.340 1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.392 -6.327 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.301 -5.234 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.319 -7.996 0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.074 -5.850 3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.603 -9.785 0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.369 -7.656 3.702 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.676 -9.668 2.270 1.00 0.00 H new ATOM 727 N PHE A 49 7.319 -2.461 1.084 1.00 0.00 N ATOM 728 CA PHE A 49 8.099 -1.250 1.302 1.00 0.00 C ATOM 729 C PHE A 49 8.473 -1.087 2.785 1.00 0.00 C ATOM 730 O PHE A 49 7.764 -1.532 3.699 1.00 0.00 O ATOM 731 CB PHE A 49 7.289 -0.038 0.803 1.00 0.00 C ATOM 732 CG PHE A 49 7.341 0.303 -0.680 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.579 0.334 -1.345 1.00 0.00 C ATOM 734 CD2 PHE A 49 6.176 0.663 -1.398 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.654 0.699 -2.697 1.00 0.00 C ATOM 736 CE2 PHE A 49 6.268 1.096 -2.730 1.00 0.00 C ATOM 737 CZ PHE A 49 7.500 1.083 -3.398 1.00 0.00 C ATOM 0 H PHE A 49 6.493 -2.284 0.513 1.00 0.00 H new ATOM 0 HA PHE A 49 9.032 -1.320 0.742 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.245 -0.203 1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.625 0.838 1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 49 9.481 0.074 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.210 0.604 -0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.608 0.685 -3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 49 5.383 1.442 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.561 1.365 -4.439 1.00 0.00 H new ATOM 747 N GLY A 50 9.616 -0.446 3.035 1.00 0.00 N ATOM 748 CA GLY A 50 10.203 -0.256 4.355 1.00 0.00 C ATOM 749 C GLY A 50 10.927 -1.507 4.837 1.00 0.00 C ATOM 750 O GLY A 50 12.072 -1.421 5.282 1.00 0.00 O ATOM 0 H GLY A 50 10.177 -0.030 2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.902 0.580 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.420 0.008 5.066 1.00 0.00 H new ATOM 754 N THR A 51 10.261 -2.658 4.763 1.00 0.00 N ATOM 755 CA THR A 51 10.748 -3.951 5.237 1.00 0.00 C ATOM 756 C THR A 51 11.489 -4.761 4.162 1.00 0.00 C ATOM 757 O THR A 51 12.180 -5.722 4.502 1.00 0.00 O ATOM 758 CB THR A 51 9.538 -4.730 5.787 1.00 0.00 C ATOM 759 OG1 THR A 51 8.363 -4.536 5.004 1.00 0.00 O ATOM 760 CG2 THR A 51 9.214 -4.240 7.200 1.00 0.00 C ATOM 0 H THR A 51 9.328 -2.717 4.354 1.00 0.00 H new ATOM 0 HA THR A 51 11.491 -3.779 6.016 1.00 0.00 H new ATOM 0 HB THR A 51 9.813 -5.785 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.610 -4.451 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.358 -4.791 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.075 -4.403 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.978 -3.176 7.171 1.00 0.00 H new ATOM 768 N HIS A 52 11.330 -4.389 2.887 1.00 0.00 N ATOM 769 CA HIS A 52 11.857 -5.033 1.682 1.00 0.00 C ATOM 770 C HIS A 52 11.531 -6.535 1.557 1.00 0.00 C ATOM 771 O HIS A 52 12.171 -7.249 0.776 1.00 0.00 O ATOM 772 CB HIS A 52 13.361 -4.754 1.512 1.00 0.00 C ATOM 773 CG HIS A 52 13.808 -3.346 1.829 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.864 -3.034 2.650 1.00 0.00 N ATOM 775 CD2 HIS A 52 13.266 -2.171 1.376 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.958 -1.698 2.703 1.00 0.00 C ATOM 777 NE2 HIS A 52 14.008 -1.125 1.939 1.00 0.00 N ATOM 0 H HIS A 52 10.783 -3.560 2.654 1.00 0.00 H new ATOM 0 HA HIS A 52 11.324 -4.569 0.852 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.914 -5.443 2.151 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.639 -4.980 0.483 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.423 -2.071 0.709 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.694 -1.156 3.279 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.858 -0.126 1.798 1.00 0.00 H new ATOM 785 N GLU A 53 10.561 -7.048 2.316 1.00 0.00 N ATOM 786 CA GLU A 53 10.109 -8.427 2.180 1.00 0.00 C ATOM 787 C GLU A 53 9.313 -8.596 0.887 1.00 0.00 C ATOM 788 O GLU A 53 8.861 -7.611 0.299 1.00 0.00 O ATOM 789 CB GLU A 53 9.268 -8.845 3.393 1.00 0.00 C ATOM 790 CG GLU A 53 10.116 -8.918 4.669 1.00 0.00 C ATOM 791 CD GLU A 53 9.559 -9.944 5.651 1.00 0.00 C ATOM 792 OE1 GLU A 53 9.536 -11.148 5.306 1.00 0.00 O ATOM 793 OE2 GLU A 53 9.277 -9.606 6.820 1.00 0.00 O ATOM 0 H GLU A 53 10.071 -6.519 3.038 1.00 0.00 H new ATOM 0 HA GLU A 53 10.984 -9.076 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.455 -8.133 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.811 -9.816 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.142 -9.179 4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.147 -7.937 5.144 1.00 0.00 H new ATOM 800 N THR A 54 9.115 -9.845 0.472 1.00 0.00 N ATOM 801 CA THR A 54 8.337 -10.222 -0.693 1.00 0.00 C ATOM 802 C THR A 54 7.528 -11.466 -0.340 1.00 0.00 C ATOM 803 O THR A 54 8.057 -12.376 0.308 1.00 0.00 O ATOM 804 CB THR A 54 9.267 -10.454 -1.900 1.00 0.00 C ATOM 805 OG1 THR A 54 10.471 -11.127 -1.565 1.00 0.00 O ATOM 806 CG2 THR A 54 9.712 -9.123 -2.475 1.00 0.00 C ATOM 0 H THR A 54 9.510 -10.649 0.961 1.00 0.00 H new ATOM 0 HA THR A 54 7.649 -9.425 -0.977 1.00 0.00 H new ATOM 0 HB THR A 54 8.682 -11.056 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.015 -11.245 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.369 -9.296 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.839 -8.556 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.249 -8.558 -1.712 1.00 0.00 H new ATOM 814 N ALA A 55 6.261 -11.522 -0.752 1.00 0.00 N ATOM 815 CA ALA A 55 5.458 -12.736 -0.683 1.00 0.00 C ATOM 816 C ALA A 55 4.407 -12.713 -1.790 1.00 0.00 C ATOM 817 O ALA A 55 4.092 -11.663 -2.355 1.00 0.00 O ATOM 818 CB ALA A 55 4.785 -12.862 0.691 1.00 0.00 C ATOM 0 H ALA A 55 5.764 -10.722 -1.144 1.00 0.00 H new ATOM 0 HA ALA A 55 6.108 -13.600 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.190 -13.775 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.548 -12.900 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.138 -12.001 0.860 1.00 0.00 H new ATOM 824 N PHE A 56 3.826 -13.881 -2.065 1.00 0.00 N ATOM 825 CA PHE A 56 2.775 -14.038 -3.055 1.00 0.00 C ATOM 826 C PHE A 56 1.448 -14.133 -2.335 1.00 0.00 C ATOM 827 O PHE A 56 1.157 -15.126 -1.664 1.00 0.00 O ATOM 828 CB PHE A 56 3.023 -15.256 -3.945 1.00 0.00 C ATOM 829 CG PHE A 56 4.344 -15.184 -4.672 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.545 -14.217 -5.675 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.389 -16.048 -4.310 1.00 0.00 C ATOM 832 CE1 PHE A 56 5.774 -14.157 -6.352 1.00 0.00 C ATOM 833 CE2 PHE A 56 6.621 -15.967 -4.973 1.00 0.00 C ATOM 834 CZ PHE A 56 6.812 -15.036 -6.007 1.00 0.00 C ATOM 0 H PHE A 56 4.079 -14.752 -1.598 1.00 0.00 H new ATOM 0 HA PHE A 56 2.765 -13.173 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.997 -16.159 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.216 -15.340 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.756 -13.523 -5.923 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.244 -16.773 -3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.921 -13.433 -7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.429 -16.625 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.754 -14.997 -6.534 1.00 0.00 H new ATOM 844 N LEU A 57 0.629 -13.097 -2.462 1.00 0.00 N ATOM 845 CA LEU A 57 -0.707 -13.042 -1.892 1.00 0.00 C ATOM 846 C LEU A 57 -1.689 -12.666 -2.994 1.00 0.00 C ATOM 847 O LEU A 57 -1.312 -12.022 -3.975 1.00 0.00 O ATOM 848 CB LEU A 57 -0.729 -12.088 -0.690 1.00 0.00 C ATOM 849 CG LEU A 57 0.107 -12.623 0.501 1.00 0.00 C ATOM 850 CD1 LEU A 57 1.007 -11.538 1.059 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.770 -13.147 1.642 1.00 0.00 C ATOM 0 H LEU A 57 0.883 -12.253 -2.976 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.011 -14.014 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.343 -11.115 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.759 -11.936 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 57 0.701 -13.447 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.584 -11.937 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.687 -11.193 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.398 -10.703 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.136 -13.510 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.405 -12.342 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.394 -13.962 1.276 1.00 0.00 H new ATOM 863 N GLY A 58 -2.932 -13.120 -2.854 1.00 0.00 N ATOM 864 CA GLY A 58 -4.007 -12.890 -3.801 1.00 0.00 C ATOM 865 C GLY A 58 -4.861 -11.708 -3.361 1.00 0.00 C ATOM 866 O GLY A 58 -4.693 -11.198 -2.250 1.00 0.00 O ATOM 0 H GLY A 58 -3.223 -13.676 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.593 -12.699 -4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.626 -13.784 -3.882 1.00 0.00 H new ATOM 870 N PRO A 59 -5.819 -11.289 -4.199 1.00 0.00 N ATOM 871 CA PRO A 59 -6.497 -10.005 -4.061 1.00 0.00 C ATOM 872 C PRO A 59 -7.343 -9.927 -2.788 1.00 0.00 C ATOM 873 O PRO A 59 -7.582 -8.837 -2.277 1.00 0.00 O ATOM 874 CB PRO A 59 -7.329 -9.852 -5.342 1.00 0.00 C ATOM 875 CG PRO A 59 -7.544 -11.284 -5.833 1.00 0.00 C ATOM 876 CD PRO A 59 -6.312 -12.043 -5.340 1.00 0.00 C ATOM 0 HA PRO A 59 -5.788 -9.184 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.278 -9.355 -5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.805 -9.252 -6.086 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.462 -11.710 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.627 -11.324 -6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.568 -13.063 -5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.555 -12.111 -6.121 1.00 0.00 H new ATOM 884 N LYS A 60 -7.738 -11.067 -2.210 1.00 0.00 N ATOM 885 CA LYS A 60 -8.480 -11.089 -0.956 1.00 0.00 C ATOM 886 C LYS A 60 -7.675 -10.546 0.226 1.00 0.00 C ATOM 887 O LYS A 60 -8.275 -10.226 1.255 1.00 0.00 O ATOM 888 CB LYS A 60 -9.015 -12.504 -0.684 1.00 0.00 C ATOM 889 CG LYS A 60 -7.964 -13.494 -0.155 1.00 0.00 C ATOM 890 CD LYS A 60 -8.636 -14.834 0.143 1.00 0.00 C ATOM 891 CE LYS A 60 -7.634 -15.833 0.715 1.00 0.00 C ATOM 892 NZ LYS A 60 -8.261 -17.143 0.987 1.00 0.00 N ATOM 0 H LYS A 60 -7.551 -11.991 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.326 -10.411 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.829 -12.438 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.438 -12.902 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.171 -13.628 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.498 -13.099 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.452 -14.686 0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.075 -15.236 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.810 -15.963 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.209 -15.435 1.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.549 -17.795 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.032 -17.023 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.644 -17.535 0.103 1.00 0.00 H new ATOM 906 N ASP A 61 -6.347 -10.471 0.125 1.00 0.00 N ATOM 907 CA ASP A 61 -5.445 -10.062 1.206 1.00 0.00 C ATOM 908 C ASP A 61 -4.850 -8.674 0.910 1.00 0.00 C ATOM 909 O ASP A 61 -3.915 -8.248 1.591 1.00 0.00 O ATOM 910 CB ASP A 61 -4.361 -11.139 1.435 1.00 0.00 C ATOM 911 CG ASP A 61 -4.880 -12.499 1.931 1.00 0.00 C ATOM 912 OD1 ASP A 61 -5.851 -12.547 2.729 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.312 -13.536 1.516 1.00 0.00 O ATOM 0 H ASP A 61 -5.853 -10.700 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.008 -9.974 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.822 -11.293 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.641 -10.758 2.159 1.00 0.00 H new ATOM 918 N LEU A 62 -5.377 -7.969 -0.101 1.00 0.00 N ATOM 919 CA LEU A 62 -4.863 -6.711 -0.645 1.00 0.00 C ATOM 920 C LEU A 62 -6.006 -5.699 -0.750 1.00 0.00 C ATOM 921 O LEU A 62 -7.171 -6.099 -0.730 1.00 0.00 O ATOM 922 CB LEU A 62 -4.271 -6.968 -2.045 1.00 0.00 C ATOM 923 CG LEU A 62 -3.151 -8.023 -2.089 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.717 -8.267 -3.534 1.00 0.00 C ATOM 925 CD2 LEU A 62 -1.925 -7.635 -1.257 1.00 0.00 C ATOM 0 H LEU A 62 -6.219 -8.281 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.088 -6.315 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.074 -7.283 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.882 -6.029 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.567 -8.931 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.924 -9.015 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.568 -8.624 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.349 -7.336 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.172 -8.420 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.511 -6.699 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.218 -7.509 -0.215 1.00 0.00 H new ATOM 937 N PHE A 63 -5.690 -4.408 -0.875 1.00 0.00 N ATOM 938 CA PHE A 63 -6.662 -3.335 -1.069 1.00 0.00 C ATOM 939 C PHE A 63 -6.033 -2.218 -1.924 1.00 0.00 C ATOM 940 O PHE A 63 -4.848 -1.929 -1.731 1.00 0.00 O ATOM 941 CB PHE A 63 -7.081 -2.771 0.298 1.00 0.00 C ATOM 942 CG PHE A 63 -7.944 -3.689 1.147 1.00 0.00 C ATOM 943 CD1 PHE A 63 -7.352 -4.601 2.044 1.00 0.00 C ATOM 944 CD2 PHE A 63 -9.346 -3.636 1.042 1.00 0.00 C ATOM 945 CE1 PHE A 63 -8.153 -5.443 2.836 1.00 0.00 C ATOM 946 CE2 PHE A 63 -10.149 -4.477 1.831 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.554 -5.375 2.733 1.00 0.00 C ATOM 0 H PHE A 63 -4.727 -4.074 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.541 -3.727 -1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.181 -2.524 0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.622 -1.839 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.276 -4.654 2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.807 -2.945 0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.694 -6.140 3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -11.225 -4.433 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.172 -6.013 3.347 1.00 0.00 H new ATOM 957 N PRO A 64 -6.784 -1.556 -2.828 1.00 0.00 N ATOM 958 CA PRO A 64 -6.254 -0.526 -3.722 1.00 0.00 C ATOM 959 C PRO A 64 -5.726 0.690 -2.955 1.00 0.00 C ATOM 960 O PRO A 64 -6.458 1.296 -2.176 1.00 0.00 O ATOM 961 CB PRO A 64 -7.400 -0.133 -4.664 1.00 0.00 C ATOM 962 CG PRO A 64 -8.665 -0.793 -4.114 1.00 0.00 C ATOM 963 CD PRO A 64 -8.190 -1.819 -3.091 1.00 0.00 C ATOM 0 HA PRO A 64 -5.400 -0.913 -4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.514 0.950 -4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.198 -0.470 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.321 -0.055 -3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.234 -1.271 -4.911 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.772 -1.743 -2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.326 -2.831 -3.472 1.00 0.00 H new ATOM 971 N TYR A 65 -4.475 1.098 -3.194 1.00 0.00 N ATOM 972 CA TYR A 65 -3.872 2.229 -2.490 1.00 0.00 C ATOM 973 C TYR A 65 -4.693 3.495 -2.676 1.00 0.00 C ATOM 974 O TYR A 65 -5.051 4.127 -1.694 1.00 0.00 O ATOM 975 CB TYR A 65 -2.444 2.466 -2.974 1.00 0.00 C ATOM 976 CG TYR A 65 -1.742 3.667 -2.364 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.436 3.699 -0.990 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.381 4.756 -3.177 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.826 4.831 -0.415 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.737 5.873 -2.619 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.477 5.932 -1.230 1.00 0.00 C ATOM 982 OH TYR A 65 0.099 7.044 -0.693 1.00 0.00 O ATOM 0 H TYR A 65 -3.858 0.656 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.853 1.982 -1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.854 1.575 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.461 2.587 -4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.672 2.846 -0.370 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.600 4.734 -4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.625 4.858 0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.438 6.693 -3.255 1.00 0.00 H new ATOM 0 HH TYR A 65 0.482 7.592 -1.409 1.00 0.00 H new ATOM 992 N LYS A 66 -5.016 3.862 -3.919 1.00 0.00 N ATOM 993 CA LYS A 66 -5.679 5.132 -4.215 1.00 0.00 C ATOM 994 C LYS A 66 -7.035 5.262 -3.517 1.00 0.00 C ATOM 995 O LYS A 66 -7.475 6.383 -3.274 1.00 0.00 O ATOM 996 CB LYS A 66 -5.820 5.277 -5.734 1.00 0.00 C ATOM 997 CG LYS A 66 -4.461 5.517 -6.407 1.00 0.00 C ATOM 998 CD LYS A 66 -4.600 5.552 -7.934 1.00 0.00 C ATOM 999 CE LYS A 66 -3.226 5.601 -8.608 1.00 0.00 C ATOM 1000 NZ LYS A 66 -2.512 6.877 -8.404 1.00 0.00 N ATOM 0 H LYS A 66 -4.826 3.291 -4.742 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.062 5.941 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.276 4.377 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.490 6.106 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.039 6.458 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.765 4.729 -6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.145 4.671 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.186 6.422 -8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.613 4.786 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.349 5.430 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.591 6.841 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.077 7.657 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.364 7.033 -7.387 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.677 4.148 -3.169 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.838 4.134 -2.297 1.00 0.00 C ATOM 1016 C GLU A 67 -8.361 4.486 -0.876 1.00 0.00 C ATOM 1017 O GLU A 67 -8.575 5.603 -0.391 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.519 2.748 -2.391 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.882 2.745 -3.085 1.00 0.00 C ATOM 1020 CD GLU A 67 -11.894 3.622 -2.350 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -12.290 3.265 -1.217 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -12.281 4.663 -2.940 1.00 0.00 O ATOM 0 H GLU A 67 -7.398 3.221 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.587 4.870 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.855 2.069 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.640 2.350 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.769 3.100 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.259 1.724 -3.141 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.659 3.555 -0.225 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.393 3.549 1.213 1.00 0.00 C ATOM 1031 C TYR A 68 -6.210 4.441 1.620 1.00 0.00 C ATOM 1032 O TYR A 68 -5.752 4.371 2.758 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.208 2.102 1.687 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.439 1.227 1.517 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.684 0.604 0.285 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.361 1.061 2.568 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -9.850 -0.149 0.079 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.526 0.291 2.385 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.773 -0.311 1.131 1.00 0.00 C ATOM 1040 OH TYR A 68 -11.883 -1.066 0.910 1.00 0.00 O ATOM 0 H TYR A 68 -7.245 2.755 -0.704 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.257 3.987 1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.380 1.655 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.925 2.110 2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.966 0.705 -0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.173 1.528 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.039 -0.603 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.226 0.162 3.198 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.429 -1.091 1.724 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.674 5.269 0.724 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.515 6.123 0.944 1.00 0.00 C ATOM 1052 C LYS A 69 -4.721 7.020 2.171 1.00 0.00 C ATOM 1053 O LYS A 69 -3.777 7.254 2.917 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.235 6.853 -0.385 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.389 8.107 -0.232 1.00 0.00 C ATOM 1056 CD LYS A 69 -2.975 8.684 -1.597 1.00 0.00 C ATOM 1057 CE LYS A 69 -1.850 9.709 -1.441 1.00 0.00 C ATOM 1058 NZ LYS A 69 -2.293 10.959 -0.792 1.00 0.00 N ATOM 0 H LYS A 69 -6.056 5.365 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.619 5.558 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.731 6.167 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.185 7.121 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.949 8.858 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.497 7.876 0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.648 7.877 -2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.836 9.153 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.043 9.268 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.440 9.942 -2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.489 11.614 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.044 11.399 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.659 10.746 0.158 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.946 7.466 2.423 1.00 0.00 N ATOM 1073 CA ASP A 70 -6.358 8.112 3.669 1.00 0.00 C ATOM 1074 C ASP A 70 -6.607 7.057 4.755 1.00 0.00 C ATOM 1075 O ASP A 70 -5.963 7.033 5.804 1.00 0.00 O ATOM 1076 CB ASP A 70 -7.634 8.910 3.376 1.00 0.00 C ATOM 1077 CG ASP A 70 -7.996 9.917 4.463 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -8.224 9.539 5.637 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -8.120 11.106 4.085 1.00 0.00 O ATOM 0 H ASP A 70 -6.705 7.387 1.747 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.578 8.779 4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.511 9.439 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.464 8.215 3.247 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.545 6.145 4.478 1.00 0.00 N ATOM 1085 CA LYS A 71 -8.136 5.219 5.438 1.00 0.00 C ATOM 1086 C LYS A 71 -7.103 4.359 6.164 1.00 0.00 C ATOM 1087 O LYS A 71 -7.210 4.161 7.375 1.00 0.00 O ATOM 1088 CB LYS A 71 -9.201 4.388 4.705 1.00 0.00 C ATOM 1089 CG LYS A 71 -10.017 3.526 5.679 1.00 0.00 C ATOM 1090 CD LYS A 71 -11.413 3.161 5.163 1.00 0.00 C ATOM 1091 CE LYS A 71 -12.310 4.403 5.188 1.00 0.00 C ATOM 1092 NZ LYS A 71 -13.721 4.113 4.871 1.00 0.00 N ATOM 0 H LYS A 71 -7.926 6.031 3.539 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.608 5.788 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.870 5.053 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.718 3.747 3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.466 2.609 5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -10.117 4.059 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.346 2.769 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.846 2.374 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.254 4.863 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.928 5.133 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.273 4.994 4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.785 3.701 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.102 3.439 5.566 1.00 0.00 H new ATOM 1106 N PHE A 72 -6.119 3.841 5.437 1.00 0.00 N ATOM 1107 CA PHE A 72 -5.076 2.939 5.904 1.00 0.00 C ATOM 1108 C PHE A 72 -3.705 3.621 5.916 1.00 0.00 C ATOM 1109 O PHE A 72 -2.843 3.216 6.704 1.00 0.00 O ATOM 1110 CB PHE A 72 -5.024 1.718 4.972 1.00 0.00 C ATOM 1111 CG PHE A 72 -6.212 0.767 4.971 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -7.218 0.806 5.958 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.309 -0.181 3.936 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -8.288 -0.102 5.913 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.362 -1.110 3.909 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.353 -1.075 4.901 1.00 0.00 C ATOM 0 H PHE A 72 -6.024 4.054 4.444 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.312 2.639 6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.887 2.081 3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.135 1.141 5.227 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.165 1.537 6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.565 -0.195 3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.066 -0.052 6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.409 -1.851 3.125 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.161 -1.791 4.887 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.485 4.629 5.065 1.00 0.00 N ATOM 1127 CA GLY A 73 -2.194 5.273 4.870 1.00 0.00 C ATOM 1128 C GLY A 73 -1.995 6.367 5.899 1.00 0.00 C ATOM 1129 O GLY A 73 -2.278 7.537 5.644 1.00 0.00 O ATOM 0 H GLY A 73 -4.222 5.025 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.395 4.536 4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.137 5.693 3.866 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.526 5.985 7.086 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.194 6.911 8.151 1.00 0.00 C ATOM 1135 C LYS A 74 -0.031 6.379 8.959 1.00 0.00 C ATOM 1136 O LYS A 74 0.307 5.197 8.881 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.432 7.156 9.006 1.00 0.00 C ATOM 1138 CG LYS A 74 -2.887 5.925 9.805 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.314 6.152 10.294 1.00 0.00 C ATOM 1140 CE LYS A 74 -5.294 5.813 9.155 1.00 0.00 C ATOM 1141 NZ LYS A 74 -6.717 5.893 9.540 1.00 0.00 N ATOM 0 H LYS A 74 -1.366 5.008 7.332 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.880 7.868 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.228 7.972 9.699 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.249 7.482 8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.840 5.032 9.181 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.221 5.758 10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.518 5.528 11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.444 7.188 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.115 6.493 8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.082 4.806 8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.284 5.304 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.832 5.552 10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.038 6.880 9.478 1.00 0.00 H new ATOM 1155 N SER A 75 0.553 7.241 9.778 1.00 0.00 N ATOM 1156 CA SER A 75 1.772 6.925 10.496 1.00 0.00 C ATOM 1157 C SER A 75 1.386 5.955 11.606 1.00 0.00 C ATOM 1158 O SER A 75 0.453 6.226 12.366 1.00 0.00 O ATOM 1159 CB SER A 75 2.450 8.200 11.006 1.00 0.00 C ATOM 1160 OG SER A 75 2.550 9.149 9.956 1.00 0.00 O ATOM 0 H SER A 75 0.193 8.178 9.961 1.00 0.00 H new ATOM 0 HA SER A 75 2.514 6.454 9.851 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.878 8.620 11.834 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.442 7.965 11.391 1.00 0.00 H new ATOM 0 HG SER A 75 2.983 9.962 10.290 1.00 0.00 H new ATOM 1166 N ASN A 76 2.053 4.807 11.627 1.00 0.00 N ATOM 1167 CA ASN A 76 1.725 3.656 12.463 1.00 0.00 C ATOM 1168 C ASN A 76 2.873 3.380 13.428 1.00 0.00 C ATOM 1169 O ASN A 76 4.034 3.559 13.054 1.00 0.00 O ATOM 1170 CB ASN A 76 1.488 2.436 11.560 1.00 0.00 C ATOM 1171 CG ASN A 76 0.873 1.281 12.330 1.00 0.00 C ATOM 1172 OD1 ASN A 76 1.560 0.550 13.044 1.00 0.00 O ATOM 1173 ND2 ASN A 76 -0.434 1.111 12.227 1.00 0.00 N ATOM 0 H ASN A 76 2.870 4.645 11.039 1.00 0.00 H new ATOM 0 HA ASN A 76 0.824 3.860 13.041 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.832 2.715 10.736 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.434 2.119 11.121 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.893 0.362 12.745 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.983 1.729 11.629 1.00 0.00 H new ATOM 1180 N LYS A 77 2.573 2.903 14.640 1.00 0.00 N ATOM 1181 CA LYS A 77 3.566 2.705 15.695 1.00 0.00 C ATOM 1182 C LYS A 77 4.572 1.590 15.398 1.00 0.00 C ATOM 1183 O LYS A 77 5.567 1.482 16.116 1.00 0.00 O ATOM 1184 CB LYS A 77 2.858 2.419 17.034 1.00 0.00 C ATOM 1185 CG LYS A 77 3.613 3.022 18.236 1.00 0.00 C ATOM 1186 CD LYS A 77 3.678 2.088 19.451 1.00 0.00 C ATOM 1187 CE LYS A 77 3.684 2.822 20.807 1.00 0.00 C ATOM 1188 NZ LYS A 77 4.756 3.835 20.961 1.00 0.00 N ATOM 0 H LYS A 77 1.626 2.642 14.916 1.00 0.00 H new ATOM 0 HA LYS A 77 4.138 3.631 15.751 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.847 2.825 17.002 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.764 1.342 17.170 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.627 3.275 17.928 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.128 3.953 18.529 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.826 1.409 19.421 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.576 1.475 19.377 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.719 3.311 20.944 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.784 2.084 21.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.684 4.277 21.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.684 3.376 20.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.653 4.564 20.226 1.00 0.00 H new ATOM 1202 N ARG A 78 4.342 0.706 14.421 1.00 0.00 N ATOM 1203 CA ARG A 78 5.364 -0.256 14.020 1.00 0.00 C ATOM 1204 C ARG A 78 6.476 0.497 13.295 1.00 0.00 C ATOM 1205 O ARG A 78 6.201 1.227 12.342 1.00 0.00 O ATOM 1206 CB ARG A 78 4.747 -1.388 13.172 1.00 0.00 C ATOM 1207 CG ARG A 78 4.713 -2.696 13.983 1.00 0.00 C ATOM 1208 CD ARG A 78 6.121 -3.308 14.058 1.00 0.00 C ATOM 1209 NE ARG A 78 6.424 -3.963 15.343 1.00 0.00 N ATOM 1210 CZ ARG A 78 7.668 -4.183 15.799 1.00 0.00 C ATOM 1211 NH1 ARG A 78 8.733 -3.964 15.033 1.00 0.00 N ATOM 1212 NH2 ARG A 78 7.845 -4.611 17.038 1.00 0.00 N ATOM 0 H ARG A 78 3.467 0.640 13.901 1.00 0.00 H new ATOM 0 HA ARG A 78 5.797 -0.744 14.893 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.737 -1.115 12.865 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.329 -1.530 12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.339 -2.500 14.988 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.025 -3.403 13.519 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.232 -4.037 13.256 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.857 -2.524 13.880 1.00 0.00 H new ATOM 0 HE ARG A 78 5.641 -4.268 15.921 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.614 -3.622 14.079 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.669 -4.138 15.399 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.039 -4.772 17.642 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.788 -4.780 17.390 1.00 0.00 H new ATOM 1226 N LYS A 79 7.728 0.312 13.728 1.00 0.00 N ATOM 1227 CA LYS A 79 8.884 0.831 12.997 1.00 0.00 C ATOM 1228 C LYS A 79 8.921 0.194 11.604 1.00 0.00 C ATOM 1229 O LYS A 79 8.249 -0.809 11.358 1.00 0.00 O ATOM 1230 CB LYS A 79 10.169 0.584 13.811 1.00 0.00 C ATOM 1231 CG LYS A 79 11.289 1.571 13.444 1.00 0.00 C ATOM 1232 CD LYS A 79 12.514 1.394 14.346 1.00 0.00 C ATOM 1233 CE LYS A 79 13.595 2.430 14.005 1.00 0.00 C ATOM 1234 NZ LYS A 79 14.675 2.446 15.016 1.00 0.00 N ATOM 0 H LYS A 79 7.964 -0.194 14.582 1.00 0.00 H new ATOM 0 HA LYS A 79 8.805 1.909 12.859 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.945 0.670 14.874 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.515 -0.435 13.640 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.578 1.424 12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.918 2.592 13.530 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.220 1.498 15.391 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.917 0.388 14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.017 2.207 13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.143 3.420 13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.387 3.157 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.276 2.684 15.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.123 1.508 15.061 1.00 0.00 H new ATOM 1248 N GLY A 80 9.661 0.770 10.663 1.00 0.00 N ATOM 1249 CA GLY A 80 9.709 0.298 9.285 1.00 0.00 C ATOM 1250 C GLY A 80 8.489 0.741 8.483 1.00 0.00 C ATOM 1251 O GLY A 80 8.644 1.117 7.327 1.00 0.00 O ATOM 0 H GLY A 80 10.249 1.585 10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.613 0.673 8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 80 9.772 -0.790 9.277 1.00 0.00 H new ATOM 1255 N PHE A 81 7.295 0.782 9.087 1.00 0.00 N ATOM 1256 CA PHE A 81 6.070 1.225 8.427 1.00 0.00 C ATOM 1257 C PHE A 81 6.230 2.645 7.881 1.00 0.00 C ATOM 1258 O PHE A 81 5.794 2.941 6.773 1.00 0.00 O ATOM 1259 CB PHE A 81 4.910 1.150 9.429 1.00 0.00 C ATOM 1260 CG PHE A 81 3.531 1.254 8.812 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.028 2.489 8.363 1.00 0.00 C ATOM 1262 CD2 PHE A 81 2.725 0.108 8.722 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.740 2.556 7.810 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.436 0.182 8.172 1.00 0.00 C ATOM 1265 CZ PHE A 81 0.944 1.410 7.710 1.00 0.00 C ATOM 0 H PHE A 81 7.155 0.505 10.059 1.00 0.00 H new ATOM 0 HA PHE A 81 5.858 0.573 7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.979 0.208 9.974 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.027 1.950 10.160 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.631 3.382 8.444 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.100 -0.839 9.079 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.359 3.503 7.458 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.825 -0.706 8.105 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.044 1.471 7.279 1.00 0.00 H new ATOM 1275 N ASN A 82 6.840 3.535 8.669 1.00 0.00 N ATOM 1276 CA ASN A 82 7.093 4.918 8.306 1.00 0.00 C ATOM 1277 C ASN A 82 8.108 5.027 7.166 1.00 0.00 C ATOM 1278 O ASN A 82 7.886 5.798 6.237 1.00 0.00 O ATOM 1279 CB ASN A 82 7.613 5.639 9.566 1.00 0.00 C ATOM 1280 CG ASN A 82 7.102 7.053 9.714 1.00 0.00 C ATOM 1281 OD1 ASN A 82 7.863 7.977 9.972 1.00 0.00 O ATOM 1282 ND2 ASN A 82 5.798 7.231 9.649 1.00 0.00 N ATOM 0 H ASN A 82 7.178 3.299 9.602 1.00 0.00 H new ATOM 0 HA ASN A 82 6.173 5.379 7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.325 5.065 10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.703 5.657 9.539 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.401 8.156 9.815 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.186 6.444 9.432 1.00 0.00 H new ATOM 1289 N GLU A 83 9.186 4.230 7.222 1.00 0.00 N ATOM 1290 CA GLU A 83 10.130 4.096 6.109 1.00 0.00 C ATOM 1291 C GLU A 83 9.381 3.665 4.846 1.00 0.00 C ATOM 1292 O GLU A 83 9.622 4.209 3.768 1.00 0.00 O ATOM 1293 CB GLU A 83 11.252 3.089 6.449 1.00 0.00 C ATOM 1294 CG GLU A 83 12.620 3.769 6.601 1.00 0.00 C ATOM 1295 CD GLU A 83 13.779 2.781 6.804 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.569 1.720 7.442 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.922 3.115 6.410 1.00 0.00 O ATOM 0 H GLU A 83 9.424 3.664 8.037 1.00 0.00 H new ATOM 0 HA GLU A 83 10.599 5.064 5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.002 2.569 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.309 2.334 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.818 4.371 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.584 4.453 7.449 1.00 0.00 H new ATOM 1304 N GLY A 84 8.448 2.721 4.994 1.00 0.00 N ATOM 1305 CA GLY A 84 7.593 2.261 3.922 1.00 0.00 C ATOM 1306 C GLY A 84 6.787 3.421 3.358 1.00 0.00 C ATOM 1307 O GLY A 84 6.859 3.683 2.157 1.00 0.00 O ATOM 0 H GLY A 84 8.271 2.253 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.196 1.811 3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.920 1.486 4.290 1.00 0.00 H new ATOM 1311 N LEU A 85 6.011 4.118 4.191 1.00 0.00 N ATOM 1312 CA LEU A 85 5.104 5.175 3.746 1.00 0.00 C ATOM 1313 C LEU A 85 5.811 6.321 3.017 1.00 0.00 C ATOM 1314 O LEU A 85 5.152 7.041 2.266 1.00 0.00 O ATOM 1315 CB LEU A 85 4.274 5.746 4.910 1.00 0.00 C ATOM 1316 CG LEU A 85 2.996 4.979 5.285 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.253 5.778 6.358 1.00 0.00 C ATOM 1318 CD2 LEU A 85 2.005 4.799 4.120 1.00 0.00 C ATOM 0 H LEU A 85 5.995 3.963 5.199 1.00 0.00 H new ATOM 0 HA LEU A 85 4.440 4.690 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.913 5.795 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.996 6.770 4.660 1.00 0.00 H new ATOM 0 HG LEU A 85 3.321 3.991 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.342 5.250 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.891 5.891 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.996 6.762 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.131 4.248 4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.695 5.777 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.487 4.244 3.315 1.00 0.00 H new ATOM 1330 N TRP A 86 7.116 6.508 3.200 1.00 0.00 N ATOM 1331 CA TRP A 86 7.872 7.450 2.392 1.00 0.00 C ATOM 1332 C TRP A 86 7.993 6.973 0.943 1.00 0.00 C ATOM 1333 O TRP A 86 7.852 7.794 0.037 1.00 0.00 O ATOM 1334 CB TRP A 86 9.225 7.705 3.067 1.00 0.00 C ATOM 1335 CG TRP A 86 10.116 8.708 2.405 1.00 0.00 C ATOM 1336 CD1 TRP A 86 10.284 10.008 2.739 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.994 8.480 1.273 1.00 0.00 C ATOM 1338 NE1 TRP A 86 11.240 10.571 1.913 1.00 0.00 N ATOM 1339 CE2 TRP A 86 11.726 9.665 0.998 1.00 0.00 C ATOM 1340 CE3 TRP A 86 11.230 7.368 0.450 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 12.673 9.733 -0.032 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 12.151 7.425 -0.611 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.881 8.604 -0.844 1.00 0.00 C ATOM 0 H TRP A 86 7.669 6.017 3.903 1.00 0.00 H new ATOM 0 HA TRP A 86 7.343 8.401 2.333 1.00 0.00 H new ATOM 0 HB2 TRP A 86 9.041 8.033 4.090 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.761 6.758 3.128 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.755 10.525 3.526 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.548 11.541 1.975 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.693 6.449 0.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 13.235 10.640 -0.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 12.298 6.564 -1.246 1.00 0.00 H new ATOM 0 HH2 TRP A 86 13.602 8.642 -1.647 1.00 0.00 H new ATOM 1354 N GLU A 87 8.248 5.682 0.714 1.00 0.00 N ATOM 1355 CA GLU A 87 8.513 5.125 -0.611 1.00 0.00 C ATOM 1356 C GLU A 87 7.263 5.193 -1.479 1.00 0.00 C ATOM 1357 O GLU A 87 7.306 5.809 -2.531 1.00 0.00 O ATOM 1358 CB GLU A 87 9.052 3.691 -0.502 1.00 0.00 C ATOM 1359 CG GLU A 87 10.557 3.619 -0.803 1.00 0.00 C ATOM 1360 CD GLU A 87 10.941 3.640 -2.284 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.114 3.960 -3.163 1.00 0.00 O ATOM 1362 OE2 GLU A 87 12.132 3.358 -2.576 1.00 0.00 O ATOM 0 H GLU A 87 8.276 4.985 1.458 1.00 0.00 H new ATOM 0 HA GLU A 87 9.283 5.726 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.864 3.308 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.512 3.047 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.048 4.457 -0.308 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.955 2.707 -0.357 1.00 0.00 H new ATOM 1369 N ILE A 88 6.133 4.636 -1.034 1.00 0.00 N ATOM 1370 CA ILE A 88 4.885 4.586 -1.814 1.00 0.00 C ATOM 1371 C ILE A 88 4.419 5.974 -2.282 1.00 0.00 C ATOM 1372 O ILE A 88 3.745 6.097 -3.302 1.00 0.00 O ATOM 1373 CB ILE A 88 3.811 3.857 -0.980 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.552 3.493 -1.776 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.461 4.628 0.310 1.00 0.00 C ATOM 1376 CD1 ILE A 88 1.704 2.404 -1.103 1.00 0.00 C ATOM 0 H ILE A 88 6.054 4.202 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 88 5.067 4.029 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 88 4.265 2.909 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.943 4.387 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.844 3.154 -2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.701 4.080 0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.355 4.734 0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.079 5.616 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.828 2.193 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.298 1.496 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.383 2.748 -0.120 1.00 0.00 H new ATOM 1388 N GLU A 89 4.784 7.011 -1.535 1.00 0.00 N ATOM 1389 CA GLU A 89 4.537 8.401 -1.855 1.00 0.00 C ATOM 1390 C GLU A 89 5.529 8.908 -2.903 1.00 0.00 C ATOM 1391 O GLU A 89 5.130 9.486 -3.915 1.00 0.00 O ATOM 1392 CB GLU A 89 4.668 9.195 -0.552 1.00 0.00 C ATOM 1393 CG GLU A 89 3.315 9.307 0.158 1.00 0.00 C ATOM 1394 CD GLU A 89 3.281 10.464 1.147 1.00 0.00 C ATOM 1395 OE1 GLU A 89 4.338 11.030 1.502 1.00 0.00 O ATOM 1396 OE2 GLU A 89 2.155 10.869 1.532 1.00 0.00 O ATOM 0 H GLU A 89 5.282 6.894 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 89 3.541 8.522 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.389 8.708 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.055 10.191 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.527 9.441 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.103 8.376 0.683 1.00 0.00 H new ATOM 1403 N ASN A 90 6.828 8.712 -2.663 1.00 0.00 N ATOM 1404 CA ASN A 90 7.884 9.183 -3.555 1.00 0.00 C ATOM 1405 C ASN A 90 7.977 8.348 -4.834 1.00 0.00 C ATOM 1406 O ASN A 90 8.660 8.758 -5.776 1.00 0.00 O ATOM 1407 CB ASN A 90 9.230 9.193 -2.818 1.00 0.00 C ATOM 1408 CG ASN A 90 9.335 10.413 -1.922 1.00 0.00 C ATOM 1409 OD1 ASN A 90 9.622 11.509 -2.396 1.00 0.00 O ATOM 1410 ND2 ASN A 90 9.063 10.284 -0.638 1.00 0.00 N ATOM 0 H ASN A 90 7.176 8.220 -1.840 1.00 0.00 H new ATOM 0 HA ASN A 90 7.631 10.199 -3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.332 8.286 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.047 9.193 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.090 11.100 -0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.826 9.368 -0.256 1.00 0.00 H new