USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 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 6 SER OG : rot 180:sc= -0.165 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00639 USER MOD Single : A 14 TYR OH : rot -15:sc= -0.451 USER MOD Single : A 18 LYS NZ :NH3+ -164:sc=-0.00721 (180deg=-0.126) USER MOD Single : A 21 GLN : amide:sc= -1.03 K(o=-1,f=-4.6!) USER MOD Single : A 25 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.5) USER MOD Single : A 27 ASN : amide:sc= -0.0309 X(o=-0.031,f=-0.37) USER MOD Single : A 30 GLN : amide:sc=-0.00155 K(o=-0.0016,f=-0.76) USER MOD Single : A 35 SER OG : rot 180:sc= 0.00132 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -170:sc= 0 (180deg=-0.146) USER MOD Single : A 53 SER OG : rot 42:sc= 0.141 USER MOD Single : A 54 GLN : amide:sc=-0.00548 X(o=-0.0055,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -5.25! C(o=-5.3!,f=-11!) USER MOD Single : A 64 THR OG1 : rot -133:sc= 0.291 USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0473) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -10.703 5.028 6.331 1.00 0.00 N ATOM 49 CA SER A 6 -9.521 5.796 5.979 1.00 0.00 C ATOM 50 C SER A 6 -9.469 6.014 4.465 1.00 0.00 C ATOM 51 O SER A 6 -9.421 7.151 4.000 1.00 0.00 O ATOM 52 CB SER A 6 -8.247 5.096 6.458 1.00 0.00 C ATOM 53 OG SER A 6 -8.112 3.793 5.900 1.00 0.00 O ATOM 0 HA SER A 6 -9.582 6.764 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.379 5.698 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.259 5.025 7.546 1.00 0.00 H new ATOM 0 HG SER A 6 -7.286 3.380 6.229 1.00 0.00 H new ATOM 59 N GLY A 7 -9.480 4.905 3.740 1.00 0.00 N ATOM 60 CA GLY A 7 -9.435 4.961 2.288 1.00 0.00 C ATOM 61 C GLY A 7 -10.249 6.143 1.759 1.00 0.00 C ATOM 62 O GLY A 7 -9.870 6.769 0.771 1.00 0.00 O ATOM 0 H GLY A 7 -9.519 3.963 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.401 5.050 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.825 4.032 1.873 1.00 0.00 H new ATOM 66 N ALA A 8 -11.353 6.413 2.441 1.00 0.00 N ATOM 67 CA ALA A 8 -12.224 7.509 2.052 1.00 0.00 C ATOM 68 C ALA A 8 -11.635 8.827 2.558 1.00 0.00 C ATOM 69 O ALA A 8 -11.525 9.792 1.804 1.00 0.00 O ATOM 70 CB ALA A 8 -13.634 7.256 2.589 1.00 0.00 C ATOM 0 H ALA A 8 -11.664 5.891 3.261 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.296 7.575 0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.287 8.078 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.018 6.323 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.602 7.186 3.676 1.00 0.00 H new ATOM 76 N SER A 9 -11.271 8.825 3.833 1.00 0.00 N ATOM 77 CA SER A 9 -10.697 10.008 4.449 1.00 0.00 C ATOM 78 C SER A 9 -9.564 10.554 3.577 1.00 0.00 C ATOM 79 O SER A 9 -9.353 11.764 3.513 1.00 0.00 O ATOM 80 CB SER A 9 -10.182 9.702 5.857 1.00 0.00 C ATOM 81 OG SER A 9 -11.108 8.917 6.604 1.00 0.00 O ATOM 0 H SER A 9 -11.363 8.022 4.455 1.00 0.00 H new ATOM 0 HA SER A 9 -11.479 10.763 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.231 9.174 5.789 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.990 10.637 6.384 1.00 0.00 H new ATOM 0 HG SER A 9 -10.743 8.741 7.496 1.00 0.00 H new ATOM 87 N LEU A 10 -8.864 9.635 2.928 1.00 0.00 N ATOM 88 CA LEU A 10 -7.758 10.009 2.063 1.00 0.00 C ATOM 89 C LEU A 10 -8.235 11.061 1.059 1.00 0.00 C ATOM 90 O LEU A 10 -7.458 11.912 0.630 1.00 0.00 O ATOM 91 CB LEU A 10 -7.146 8.769 1.410 1.00 0.00 C ATOM 92 CG LEU A 10 -6.652 7.682 2.366 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.070 6.495 1.595 1.00 0.00 C ATOM 94 CD2 LEU A 10 -5.655 8.252 3.377 1.00 0.00 C ATOM 0 H LEU A 10 -9.041 8.632 2.984 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.956 10.463 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.889 8.329 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.309 9.086 0.788 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.507 7.311 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.726 5.737 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.838 6.069 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.231 6.832 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.320 7.458 4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.797 8.667 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.137 9.037 3.960 1.00 0.00 H new ATOM 106 N LEU A 11 -9.510 10.967 0.712 1.00 0.00 N ATOM 107 CA LEU A 11 -10.100 11.899 -0.233 1.00 0.00 C ATOM 108 C LEU A 11 -10.139 13.296 0.391 1.00 0.00 C ATOM 109 O LEU A 11 -10.149 14.298 -0.321 1.00 0.00 O ATOM 110 CB LEU A 11 -11.466 11.396 -0.701 1.00 0.00 C ATOM 111 CG LEU A 11 -11.452 10.171 -1.618 1.00 0.00 C ATOM 112 CD1 LEU A 11 -11.374 10.588 -3.088 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.324 9.212 -1.234 1.00 0.00 C ATOM 0 H LEU A 11 -10.151 10.259 1.069 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.487 11.968 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.065 11.160 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.972 12.209 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.391 9.634 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.365 9.699 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.239 11.202 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.462 11.161 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.336 8.350 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.366 9.724 -1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.465 8.877 -0.206 1.00 0.00 H new ATOM 125 N ALA A 12 -10.161 13.316 1.716 1.00 0.00 N ATOM 126 CA ALA A 12 -10.200 14.572 2.445 1.00 0.00 C ATOM 127 C ALA A 12 -8.783 14.945 2.885 1.00 0.00 C ATOM 128 O ALA A 12 -8.403 16.114 2.844 1.00 0.00 O ATOM 129 CB ALA A 12 -11.164 14.448 3.626 1.00 0.00 C ATOM 0 H ALA A 12 -10.153 12.482 2.303 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.569 15.375 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.193 15.391 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.162 14.211 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.825 13.653 4.291 1.00 0.00 H new ATOM 135 N ARG A 13 -8.039 13.929 3.297 1.00 0.00 N ATOM 136 CA ARG A 13 -6.672 14.135 3.746 1.00 0.00 C ATOM 137 C ARG A 13 -5.821 14.704 2.609 1.00 0.00 C ATOM 138 O ARG A 13 -5.210 15.761 2.755 1.00 0.00 O ATOM 139 CB ARG A 13 -6.049 12.826 4.234 1.00 0.00 C ATOM 140 CG ARG A 13 -5.890 12.828 5.756 1.00 0.00 C ATOM 141 CD ARG A 13 -5.812 11.401 6.301 1.00 0.00 C ATOM 142 NE ARG A 13 -5.827 11.423 7.781 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.776 10.326 8.549 1.00 0.00 C ATOM 144 NH1 ARG A 13 -5.708 9.114 7.982 1.00 0.00 N ATOM 145 NH2 ARG A 13 -5.795 10.442 9.884 1.00 0.00 N ATOM 0 H ARG A 13 -8.357 12.960 3.329 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.698 14.842 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.675 11.986 3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.076 12.685 3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.988 13.376 6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.731 13.350 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.652 10.814 5.929 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.903 10.916 5.945 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.879 12.330 8.245 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.695 9.026 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.669 8.279 8.566 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.848 11.365 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.756 9.607 10.469 1.00 0.00 H new ATOM 159 N TYR A 14 -5.809 13.977 1.501 1.00 0.00 N ATOM 160 CA TYR A 14 -5.042 14.396 0.339 1.00 0.00 C ATOM 161 C TYR A 14 -5.967 14.846 -0.794 1.00 0.00 C ATOM 162 O TYR A 14 -7.137 14.469 -0.832 1.00 0.00 O ATOM 163 CB TYR A 14 -4.259 13.164 -0.116 1.00 0.00 C ATOM 164 CG TYR A 14 -3.250 12.651 0.914 1.00 0.00 C ATOM 165 CD1 TYR A 14 -3.646 11.745 1.876 1.00 0.00 C ATOM 166 CD2 TYR A 14 -1.944 13.096 0.881 1.00 0.00 C ATOM 167 CE1 TYR A 14 -2.697 11.263 2.845 1.00 0.00 C ATOM 168 CE2 TYR A 14 -0.995 12.614 1.850 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.418 11.721 2.785 1.00 0.00 C ATOM 170 OH TYR A 14 -0.521 11.266 3.700 1.00 0.00 O ATOM 0 H TYR A 14 -6.318 13.101 1.383 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.392 15.235 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.963 12.365 -0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.731 13.403 -1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.668 11.397 1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.634 13.806 0.128 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.994 10.553 3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.030 12.954 1.835 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.998 10.833 4.438 1.00 0.00 H new ATOM 180 N PRO A 15 -5.391 15.667 -1.713 1.00 0.00 N ATOM 181 CA PRO A 15 -6.150 16.172 -2.844 1.00 0.00 C ATOM 182 C PRO A 15 -6.357 15.081 -3.897 1.00 0.00 C ATOM 183 O PRO A 15 -5.784 13.998 -3.794 1.00 0.00 O ATOM 184 CB PRO A 15 -5.346 17.353 -3.362 1.00 0.00 C ATOM 185 CG PRO A 15 -3.944 17.180 -2.801 1.00 0.00 C ATOM 186 CD PRO A 15 -4.008 16.134 -1.700 1.00 0.00 C ATOM 0 HA PRO A 15 -7.158 16.484 -2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.332 17.368 -4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.784 18.297 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.255 16.867 -3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.571 18.126 -2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.312 15.317 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.743 16.561 -0.733 1.00 0.00 H new ATOM 194 N PRO A 16 -7.199 15.414 -4.912 1.00 0.00 N ATOM 195 CA PRO A 16 -7.488 14.476 -5.983 1.00 0.00 C ATOM 196 C PRO A 16 -6.308 14.367 -6.951 1.00 0.00 C ATOM 197 O PRO A 16 -6.085 13.315 -7.548 1.00 0.00 O ATOM 198 CB PRO A 16 -8.750 15.008 -6.642 1.00 0.00 C ATOM 199 CG PRO A 16 -8.858 16.464 -6.221 1.00 0.00 C ATOM 200 CD PRO A 16 -7.895 16.688 -5.067 1.00 0.00 C ATOM 0 HA PRO A 16 -7.642 13.459 -5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.692 14.918 -7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.626 14.443 -6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.614 17.122 -7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.878 16.699 -5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.197 17.496 -5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.426 16.962 -4.156 1.00 0.00 H new ATOM 208 N GLU A 17 -5.584 15.469 -7.076 1.00 0.00 N ATOM 209 CA GLU A 17 -4.432 15.511 -7.961 1.00 0.00 C ATOM 210 C GLU A 17 -3.261 14.743 -7.345 1.00 0.00 C ATOM 211 O GLU A 17 -2.211 14.599 -7.970 1.00 0.00 O ATOM 212 CB GLU A 17 -4.036 16.955 -8.277 1.00 0.00 C ATOM 213 CG GLU A 17 -3.581 17.687 -7.013 1.00 0.00 C ATOM 214 CD GLU A 17 -4.091 19.130 -7.001 1.00 0.00 C ATOM 215 OE1 GLU A 17 -4.105 19.736 -8.094 1.00 0.00 O ATOM 216 OE2 GLU A 17 -4.456 19.594 -5.899 1.00 0.00 O ATOM 0 H GLU A 17 -5.772 16.340 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.702 15.029 -8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.234 16.963 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.882 17.479 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.948 17.161 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.492 17.682 -6.957 1.00 0.00 H new ATOM 223 N LYS A 18 -3.480 14.270 -6.127 1.00 0.00 N ATOM 224 CA LYS A 18 -2.456 13.520 -5.420 1.00 0.00 C ATOM 225 C LYS A 18 -3.068 12.236 -4.857 1.00 0.00 C ATOM 226 O LYS A 18 -2.502 11.617 -3.957 1.00 0.00 O ATOM 227 CB LYS A 18 -1.785 14.397 -4.362 1.00 0.00 C ATOM 228 CG LYS A 18 -1.399 15.759 -4.942 1.00 0.00 C ATOM 229 CD LYS A 18 -0.610 16.586 -3.925 1.00 0.00 C ATOM 230 CE LYS A 18 0.292 17.603 -4.626 1.00 0.00 C ATOM 231 NZ LYS A 18 1.468 16.930 -5.221 1.00 0.00 N ATOM 0 H LYS A 18 -4.352 14.392 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.661 13.221 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.461 14.536 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.896 13.896 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.802 15.618 -5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.298 16.300 -5.237 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.300 17.105 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.005 15.925 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.270 18.121 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.621 18.359 -3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.194 17.638 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.855 16.244 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.182 16.434 -6.089 1.00 0.00 H new ATOM 245 N LEU A 19 -4.216 11.873 -5.410 1.00 0.00 N ATOM 246 CA LEU A 19 -4.910 10.673 -4.974 1.00 0.00 C ATOM 247 C LEU A 19 -4.672 9.554 -5.990 1.00 0.00 C ATOM 248 O LEU A 19 -5.162 9.618 -7.116 1.00 0.00 O ATOM 249 CB LEU A 19 -6.390 10.972 -4.724 1.00 0.00 C ATOM 250 CG LEU A 19 -6.782 11.246 -3.271 1.00 0.00 C ATOM 251 CD1 LEU A 19 -8.221 11.758 -3.179 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.558 10.008 -2.400 1.00 0.00 C ATOM 0 H LEU A 19 -4.683 12.389 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.512 10.328 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.672 11.836 -5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.977 10.127 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.134 12.033 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.475 11.945 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.315 12.684 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.900 11.010 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.844 10.230 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.164 9.184 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.505 9.727 -2.431 1.00 0.00 H new ATOM 264 N PHE A 20 -3.920 8.553 -5.554 1.00 0.00 N ATOM 265 CA PHE A 20 -3.611 7.421 -6.411 1.00 0.00 C ATOM 266 C PHE A 20 -4.172 6.123 -5.828 1.00 0.00 C ATOM 267 O PHE A 20 -4.152 5.923 -4.614 1.00 0.00 O ATOM 268 CB PHE A 20 -2.086 7.317 -6.482 1.00 0.00 C ATOM 269 CG PHE A 20 -1.441 8.295 -7.466 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.139 9.560 -7.068 1.00 0.00 C ATOM 271 CD2 PHE A 20 -1.169 7.899 -8.738 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.540 10.467 -7.981 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.570 8.806 -9.651 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.268 10.071 -9.254 1.00 0.00 C ATOM 0 H PHE A 20 -3.516 8.503 -4.619 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.055 7.567 -7.396 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.673 7.492 -5.488 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.814 6.300 -6.765 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.355 9.874 -6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.409 6.894 -9.054 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.300 11.472 -7.665 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.354 8.491 -10.661 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.188 10.761 -9.949 1.00 0.00 H new ATOM 284 N GLN A 21 -4.661 5.274 -6.720 1.00 0.00 N ATOM 285 CA GLN A 21 -5.227 4.000 -6.309 1.00 0.00 C ATOM 286 C GLN A 21 -4.234 2.867 -6.576 1.00 0.00 C ATOM 287 O GLN A 21 -3.345 3.001 -7.415 1.00 0.00 O ATOM 288 CB GLN A 21 -6.559 3.739 -7.014 1.00 0.00 C ATOM 289 CG GLN A 21 -7.268 2.523 -6.416 1.00 0.00 C ATOM 290 CD GLN A 21 -8.560 2.213 -7.174 1.00 0.00 C ATOM 291 OE1 GLN A 21 -8.568 1.988 -8.373 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.649 2.213 -6.410 1.00 0.00 N ATOM 0 H GLN A 21 -4.677 5.443 -7.726 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.423 4.040 -5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.199 4.617 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.386 3.576 -8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.606 1.658 -6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.494 2.709 -5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.572 2.409 -5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.561 2.016 -6.822 1.00 0.00 H new ATOM 301 N ALA A 22 -4.419 1.777 -5.846 1.00 0.00 N ATOM 302 CA ALA A 22 -3.550 0.622 -5.993 1.00 0.00 C ATOM 303 C ALA A 22 -4.020 -0.215 -7.184 1.00 0.00 C ATOM 304 O ALA A 22 -4.989 -0.966 -7.077 1.00 0.00 O ATOM 305 CB ALA A 22 -3.538 -0.177 -4.688 1.00 0.00 C ATOM 0 H ALA A 22 -5.158 1.669 -5.151 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.525 0.935 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.886 -1.044 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.170 0.454 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.549 -0.511 -4.456 1.00 0.00 H new ATOM 311 N GLU A 23 -3.311 -0.058 -8.293 1.00 0.00 N ATOM 312 CA GLU A 23 -3.644 -0.790 -9.504 1.00 0.00 C ATOM 313 C GLU A 23 -3.881 -2.267 -9.183 1.00 0.00 C ATOM 314 O GLU A 23 -4.922 -2.822 -9.533 1.00 0.00 O ATOM 315 CB GLU A 23 -2.549 -0.627 -10.560 1.00 0.00 C ATOM 316 CG GLU A 23 -2.501 0.809 -11.083 1.00 0.00 C ATOM 317 CD GLU A 23 -2.807 0.858 -12.582 1.00 0.00 C ATOM 318 OE1 GLU A 23 -4.001 0.714 -12.922 1.00 0.00 O ATOM 319 OE2 GLU A 23 -1.840 1.037 -13.353 1.00 0.00 O ATOM 0 H GLU A 23 -2.508 0.565 -8.378 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.565 -0.376 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.583 -0.894 -10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.732 -1.313 -11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.222 1.421 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.516 1.235 -10.895 1.00 0.00 H new ATOM 326 N ARG A 24 -2.900 -2.861 -8.520 1.00 0.00 N ATOM 327 CA ARG A 24 -2.989 -4.262 -8.148 1.00 0.00 C ATOM 328 C ARG A 24 -2.563 -4.453 -6.691 1.00 0.00 C ATOM 329 O ARG A 24 -2.046 -3.528 -6.066 1.00 0.00 O ATOM 330 CB ARG A 24 -2.106 -5.129 -9.048 1.00 0.00 C ATOM 331 CG ARG A 24 -0.654 -4.648 -9.017 1.00 0.00 C ATOM 332 CD ARG A 24 0.300 -5.754 -9.476 1.00 0.00 C ATOM 333 NE ARG A 24 1.394 -5.174 -10.286 1.00 0.00 N ATOM 334 CZ ARG A 24 2.322 -5.901 -10.924 1.00 0.00 C ATOM 335 NH1 ARG A 24 2.294 -7.238 -10.850 1.00 0.00 N ATOM 336 NH2 ARG A 24 3.279 -5.289 -11.636 1.00 0.00 N ATOM 0 H ARG A 24 -2.039 -2.397 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.027 -4.571 -8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.156 -6.168 -8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.482 -5.098 -10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.542 -3.776 -9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.393 -4.334 -8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.713 -6.272 -8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.244 -6.495 -10.062 1.00 0.00 H new ATOM 0 HE ARG A 24 1.445 -4.158 -10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.566 -7.704 -10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.000 -7.791 -11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.301 -4.271 -11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.985 -5.842 -12.122 1.00 0.00 H new ATOM 350 N ASN A 25 -2.795 -5.659 -6.193 1.00 0.00 N ATOM 351 CA ASN A 25 -2.441 -5.983 -4.821 1.00 0.00 C ATOM 352 C ASN A 25 -0.926 -5.865 -4.648 1.00 0.00 C ATOM 353 O ASN A 25 -0.189 -6.802 -4.951 1.00 0.00 O ATOM 354 CB ASN A 25 -2.848 -7.416 -4.471 1.00 0.00 C ATOM 355 CG ASN A 25 -4.204 -7.767 -5.086 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.305 -8.211 -6.218 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.237 -7.544 -4.279 1.00 0.00 N ATOM 0 H ASN A 25 -3.224 -6.423 -6.715 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.966 -5.289 -4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.090 -8.111 -4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.895 -7.530 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.185 -7.746 -4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.081 -7.171 -3.343 1.00 0.00 H new ATOM 364 N PHE A 26 -0.506 -4.706 -4.162 1.00 0.00 N ATOM 365 CA PHE A 26 0.909 -4.454 -3.946 1.00 0.00 C ATOM 366 C PHE A 26 1.432 -5.257 -2.753 1.00 0.00 C ATOM 367 O PHE A 26 0.760 -5.362 -1.728 1.00 0.00 O ATOM 368 CB PHE A 26 1.056 -2.961 -3.645 1.00 0.00 C ATOM 369 CG PHE A 26 2.503 -2.507 -3.443 1.00 0.00 C ATOM 370 CD1 PHE A 26 3.098 -2.653 -2.229 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.194 -1.958 -4.477 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.441 -2.232 -2.041 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.537 -1.536 -4.290 1.00 0.00 C ATOM 374 CZ PHE A 26 5.132 -1.682 -3.076 1.00 0.00 C ATOM 0 H PHE A 26 -1.120 -3.931 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 26 1.479 -4.749 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.618 -2.391 -4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.483 -2.723 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.549 -3.089 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.721 -1.843 -5.441 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.914 -2.348 -1.077 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.085 -1.099 -5.112 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.153 -1.361 -2.933 1.00 0.00 H new ATOM 384 N ASN A 27 2.627 -5.802 -2.926 1.00 0.00 N ATOM 385 CA ASN A 27 3.249 -6.592 -1.877 1.00 0.00 C ATOM 386 C ASN A 27 4.543 -5.910 -1.430 1.00 0.00 C ATOM 387 O ASN A 27 5.438 -5.677 -2.241 1.00 0.00 O ATOM 388 CB ASN A 27 3.601 -7.994 -2.378 1.00 0.00 C ATOM 389 CG ASN A 27 3.190 -9.060 -1.361 1.00 0.00 C ATOM 390 OD1 ASN A 27 3.230 -8.856 -0.158 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.794 -10.205 -1.908 1.00 0.00 N ATOM 0 H ASN A 27 3.181 -5.712 -3.777 1.00 0.00 H new ATOM 0 HA ASN A 27 2.542 -6.672 -1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.100 -8.181 -3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.673 -8.059 -2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.499 -10.979 -1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.785 -10.309 -2.923 1.00 0.00 H new ATOM 398 N ALA A 28 4.601 -5.609 -0.141 1.00 0.00 N ATOM 399 CA ALA A 28 5.772 -4.958 0.423 1.00 0.00 C ATOM 400 C ALA A 28 7.024 -5.749 0.040 1.00 0.00 C ATOM 401 O ALA A 28 7.064 -6.969 0.195 1.00 0.00 O ATOM 402 CB ALA A 28 5.604 -4.831 1.939 1.00 0.00 C ATOM 0 H ALA A 28 3.857 -5.804 0.529 1.00 0.00 H new ATOM 0 HA ALA A 28 5.883 -3.951 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.482 -4.343 2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.717 -4.237 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.493 -5.823 2.377 1.00 0.00 H new ATOM 408 N ALA A 29 8.016 -5.022 -0.453 1.00 0.00 N ATOM 409 CA ALA A 29 9.267 -5.641 -0.859 1.00 0.00 C ATOM 410 C ALA A 29 10.355 -5.297 0.159 1.00 0.00 C ATOM 411 O ALA A 29 11.149 -6.157 0.539 1.00 0.00 O ATOM 412 CB ALA A 29 9.626 -5.183 -2.274 1.00 0.00 C ATOM 0 H ALA A 29 7.979 -4.011 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 29 9.169 -6.726 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.564 -5.647 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.835 -5.477 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.736 -4.099 -2.289 1.00 0.00 H new ATOM 418 N GLN A 30 10.359 -4.038 0.572 1.00 0.00 N ATOM 419 CA GLN A 30 11.337 -3.570 1.539 1.00 0.00 C ATOM 420 C GLN A 30 10.646 -3.179 2.847 1.00 0.00 C ATOM 421 O GLN A 30 9.432 -3.327 2.980 1.00 0.00 O ATOM 422 CB GLN A 30 12.148 -2.401 0.977 1.00 0.00 C ATOM 423 CG GLN A 30 11.320 -1.589 -0.022 1.00 0.00 C ATOM 424 CD GLN A 30 12.146 -0.450 -0.621 1.00 0.00 C ATOM 425 OE1 GLN A 30 13.141 -0.012 -0.067 1.00 0.00 O ATOM 426 NE2 GLN A 30 11.679 0.006 -1.780 1.00 0.00 N ATOM 0 H GLN A 30 9.700 -3.327 0.254 1.00 0.00 H new ATOM 0 HA GLN A 30 12.031 -4.384 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.476 -1.756 1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 30 13.046 -2.779 0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.962 -2.242 -0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.440 -1.182 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.840 -0.406 -2.189 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.160 0.767 -2.259 1.00 0.00 H new ATOM 435 N ASP A 31 11.448 -2.688 3.780 1.00 0.00 N ATOM 436 CA ASP A 31 10.929 -2.275 5.072 1.00 0.00 C ATOM 437 C ASP A 31 10.262 -0.905 4.935 1.00 0.00 C ATOM 438 O ASP A 31 9.555 -0.462 5.839 1.00 0.00 O ATOM 439 CB ASP A 31 12.052 -2.153 6.104 1.00 0.00 C ATOM 440 CG ASP A 31 11.611 -2.300 7.561 1.00 0.00 C ATOM 441 OD1 ASP A 31 10.785 -1.466 7.991 1.00 0.00 O ATOM 442 OD2 ASP A 31 12.109 -3.244 8.213 1.00 0.00 O ATOM 0 H ASP A 31 12.454 -2.567 3.666 1.00 0.00 H new ATOM 0 HA ASP A 31 10.215 -3.028 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.805 -2.911 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.533 -1.182 5.982 1.00 0.00 H new ATOM 447 N LEU A 32 10.510 -0.273 3.798 1.00 0.00 N ATOM 448 CA LEU A 32 9.942 1.037 3.530 1.00 0.00 C ATOM 449 C LEU A 32 8.627 0.873 2.766 1.00 0.00 C ATOM 450 O LEU A 32 7.839 1.812 2.671 1.00 0.00 O ATOM 451 CB LEU A 32 10.962 1.927 2.816 1.00 0.00 C ATOM 452 CG LEU A 32 12.214 2.290 3.617 1.00 0.00 C ATOM 453 CD1 LEU A 32 13.107 3.252 2.832 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.842 2.847 4.993 1.00 0.00 C ATOM 0 H LEU A 32 11.097 -0.644 3.051 1.00 0.00 H new ATOM 0 HA LEU A 32 9.706 1.548 4.464 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.274 1.425 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.464 2.850 2.520 1.00 0.00 H new ATOM 0 HG LEU A 32 12.789 1.379 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.990 3.494 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.414 2.783 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.554 4.166 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.750 3.097 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.234 3.743 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.277 2.098 5.548 1.00 0.00 H new ATOM 466 N ASP A 33 8.431 -0.328 2.242 1.00 0.00 N ATOM 467 CA ASP A 33 7.225 -0.628 1.489 1.00 0.00 C ATOM 468 C ASP A 33 6.147 -1.142 2.445 1.00 0.00 C ATOM 469 O ASP A 33 6.441 -1.492 3.587 1.00 0.00 O ATOM 470 CB ASP A 33 7.485 -1.713 0.442 1.00 0.00 C ATOM 471 CG ASP A 33 8.322 -1.266 -0.758 1.00 0.00 C ATOM 472 OD1 ASP A 33 8.809 -0.115 -0.714 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.457 -2.085 -1.693 1.00 0.00 O ATOM 0 H ASP A 33 9.087 -1.105 2.324 1.00 0.00 H new ATOM 0 HA ASP A 33 6.903 0.286 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.989 -2.550 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.526 -2.084 0.079 1.00 0.00 H new ATOM 478 N VAL A 34 4.921 -1.172 1.943 1.00 0.00 N ATOM 479 CA VAL A 34 3.798 -1.637 2.738 1.00 0.00 C ATOM 480 C VAL A 34 2.753 -2.269 1.816 1.00 0.00 C ATOM 481 O VAL A 34 2.405 -1.698 0.784 1.00 0.00 O ATOM 482 CB VAL A 34 3.238 -0.487 3.577 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.365 0.393 4.121 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.235 0.341 2.772 1.00 0.00 C ATOM 0 H VAL A 34 4.681 -0.882 0.995 1.00 0.00 H new ATOM 0 HA VAL A 34 4.120 -2.406 3.440 1.00 0.00 H new ATOM 0 HB VAL A 34 2.710 -0.918 4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.940 1.203 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.025 -0.207 4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.934 0.811 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.852 1.152 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.729 0.757 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.408 -0.295 2.456 1.00 0.00 H new ATOM 494 N SER A 35 2.281 -3.438 2.222 1.00 0.00 N ATOM 495 CA SER A 35 1.283 -4.153 1.445 1.00 0.00 C ATOM 496 C SER A 35 0.041 -3.279 1.257 1.00 0.00 C ATOM 497 O SER A 35 -0.356 -2.555 2.169 1.00 0.00 O ATOM 498 CB SER A 35 0.904 -5.475 2.117 1.00 0.00 C ATOM 499 OG SER A 35 2.046 -6.166 2.616 1.00 0.00 O ATOM 0 H SER A 35 2.571 -3.908 3.079 1.00 0.00 H new ATOM 0 HA SER A 35 1.710 -4.382 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.212 -5.280 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.381 -6.109 1.401 1.00 0.00 H new ATOM 0 HG SER A 35 1.763 -7.003 3.039 1.00 0.00 H new ATOM 505 N LEU A 36 -0.536 -3.375 0.069 1.00 0.00 N ATOM 506 CA LEU A 36 -1.724 -2.602 -0.250 1.00 0.00 C ATOM 507 C LEU A 36 -2.666 -3.451 -1.106 1.00 0.00 C ATOM 508 O LEU A 36 -2.223 -4.355 -1.812 1.00 0.00 O ATOM 509 CB LEU A 36 -1.339 -1.270 -0.898 1.00 0.00 C ATOM 510 CG LEU A 36 -0.582 -0.284 -0.005 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.145 0.949 -0.798 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.412 0.090 1.225 1.00 0.00 C ATOM 0 H LEU A 36 -0.203 -3.976 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.265 -2.344 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.727 -1.479 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.248 -0.785 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 36 0.323 -0.773 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.391 1.634 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.509 0.643 -1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.023 1.450 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.851 0.792 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.346 0.553 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.631 -0.808 1.803 1.00 0.00 H new ATOM 524 N LEU A 37 -3.949 -3.131 -1.014 1.00 0.00 N ATOM 525 CA LEU A 37 -4.957 -3.854 -1.770 1.00 0.00 C ATOM 526 C LEU A 37 -5.285 -3.077 -3.047 1.00 0.00 C ATOM 527 O LEU A 37 -5.334 -1.848 -3.034 1.00 0.00 O ATOM 528 CB LEU A 37 -6.178 -4.143 -0.895 1.00 0.00 C ATOM 529 CG LEU A 37 -6.085 -5.381 -0.001 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.358 -5.555 0.829 1.00 0.00 C ATOM 531 CD2 LEU A 37 -5.762 -6.629 -0.825 1.00 0.00 C ATOM 0 H LEU A 37 -4.313 -2.380 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.577 -4.828 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.360 -3.275 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.047 -4.252 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.262 -5.236 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.265 -6.442 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.503 -4.678 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.214 -5.669 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.701 -7.495 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.547 -6.790 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.807 -6.493 -1.333 1.00 0.00 H new ATOM 543 N GLU A 38 -5.500 -3.826 -4.118 1.00 0.00 N ATOM 544 CA GLU A 38 -5.822 -3.223 -5.400 1.00 0.00 C ATOM 545 C GLU A 38 -6.956 -2.208 -5.240 1.00 0.00 C ATOM 546 O GLU A 38 -7.125 -1.324 -6.078 1.00 0.00 O ATOM 547 CB GLU A 38 -6.184 -4.291 -6.434 1.00 0.00 C ATOM 548 CG GLU A 38 -7.176 -5.301 -5.854 1.00 0.00 C ATOM 549 CD GLU A 38 -7.802 -6.153 -6.960 1.00 0.00 C ATOM 550 OE1 GLU A 38 -8.304 -5.544 -7.930 1.00 0.00 O ATOM 551 OE2 GLU A 38 -7.763 -7.393 -6.812 1.00 0.00 O ATOM 0 H GLU A 38 -5.458 -4.845 -4.124 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.939 -2.698 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.615 -3.817 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.281 -4.808 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.667 -5.946 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.959 -4.775 -5.308 1.00 0.00 H new ATOM 558 N GLY A 39 -7.704 -2.371 -4.158 1.00 0.00 N ATOM 559 CA GLY A 39 -8.817 -1.481 -3.878 1.00 0.00 C ATOM 560 C GLY A 39 -8.397 -0.361 -2.924 1.00 0.00 C ATOM 561 O GLY A 39 -9.007 0.707 -2.907 1.00 0.00 O ATOM 0 H GLY A 39 -7.561 -3.106 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.187 -1.051 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.639 -2.047 -3.440 1.00 0.00 H new ATOM 565 N ASP A 40 -7.356 -0.642 -2.154 1.00 0.00 N ATOM 566 CA ASP A 40 -6.846 0.328 -1.200 1.00 0.00 C ATOM 567 C ASP A 40 -6.438 1.601 -1.943 1.00 0.00 C ATOM 568 O ASP A 40 -5.856 1.534 -3.024 1.00 0.00 O ATOM 569 CB ASP A 40 -5.613 -0.211 -0.471 1.00 0.00 C ATOM 570 CG ASP A 40 -5.913 -1.135 0.711 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.106 -1.224 1.073 1.00 0.00 O ATOM 572 OD2 ASP A 40 -4.942 -1.730 1.225 1.00 0.00 O ATOM 0 H ASP A 40 -6.852 -1.528 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.633 0.532 -0.474 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.994 -0.751 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.024 0.633 -0.113 1.00 0.00 H new ATOM 577 N LEU A 41 -6.759 2.733 -1.333 1.00 0.00 N ATOM 578 CA LEU A 41 -6.433 4.020 -1.923 1.00 0.00 C ATOM 579 C LEU A 41 -5.326 4.687 -1.103 1.00 0.00 C ATOM 580 O LEU A 41 -5.179 4.411 0.087 1.00 0.00 O ATOM 581 CB LEU A 41 -7.692 4.877 -2.069 1.00 0.00 C ATOM 582 CG LEU A 41 -7.613 6.017 -3.087 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.268 5.486 -4.480 1.00 0.00 C ATOM 584 CD2 LEU A 41 -8.903 6.839 -3.090 1.00 0.00 C ATOM 0 H LEU A 41 -7.242 2.785 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.046 3.889 -2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.521 4.226 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.933 5.302 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.806 6.686 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.218 6.317 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.303 4.979 -4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.036 4.783 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.821 7.643 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.744 6.196 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.065 7.265 -2.100 1.00 0.00 H new ATOM 596 N VAL A 42 -4.577 5.551 -1.772 1.00 0.00 N ATOM 597 CA VAL A 42 -3.489 6.259 -1.119 1.00 0.00 C ATOM 598 C VAL A 42 -3.305 7.626 -1.783 1.00 0.00 C ATOM 599 O VAL A 42 -3.767 7.843 -2.902 1.00 0.00 O ATOM 600 CB VAL A 42 -2.219 5.406 -1.146 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.473 4.027 -0.534 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.672 5.282 -2.569 1.00 0.00 C ATOM 0 H VAL A 42 -4.702 5.777 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.724 6.436 -0.069 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.465 5.908 -0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.555 3.440 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.795 4.142 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.250 3.515 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.769 4.671 -2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.421 4.813 -3.207 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.435 6.273 -2.955 1.00 0.00 H new ATOM 612 N GLY A 43 -2.630 8.511 -1.065 1.00 0.00 N ATOM 613 CA GLY A 43 -2.380 9.850 -1.570 1.00 0.00 C ATOM 614 C GLY A 43 -0.879 10.142 -1.629 1.00 0.00 C ATOM 615 O GLY A 43 -0.213 10.197 -0.597 1.00 0.00 O ATOM 0 H GLY A 43 -2.248 8.327 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.814 9.954 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.872 10.582 -0.929 1.00 0.00 H new ATOM 619 N VAL A 44 -0.391 10.321 -2.848 1.00 0.00 N ATOM 620 CA VAL A 44 1.018 10.606 -3.055 1.00 0.00 C ATOM 621 C VAL A 44 1.481 11.642 -2.028 1.00 0.00 C ATOM 622 O VAL A 44 0.820 12.659 -1.826 1.00 0.00 O ATOM 623 CB VAL A 44 1.256 11.049 -4.500 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.554 11.850 -4.622 1.00 0.00 C ATOM 625 CG2 VAL A 44 1.262 9.848 -5.448 1.00 0.00 C ATOM 0 H VAL A 44 -0.947 10.274 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 44 1.616 9.707 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 44 0.432 11.701 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.699 12.152 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.495 12.736 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.394 11.233 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.433 10.191 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.056 9.160 -5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.301 9.337 -5.393 1.00 0.00 H new ATOM 635 N ILE A 45 2.614 11.347 -1.408 1.00 0.00 N ATOM 636 CA ILE A 45 3.173 12.240 -0.407 1.00 0.00 C ATOM 637 C ILE A 45 4.388 12.961 -0.995 1.00 0.00 C ATOM 638 O ILE A 45 4.431 14.190 -1.023 1.00 0.00 O ATOM 639 CB ILE A 45 3.477 11.476 0.883 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.186 11.082 1.604 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.416 12.277 1.787 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.451 9.999 2.652 1.00 0.00 C ATOM 0 H ILE A 45 3.160 10.503 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 45 2.448 13.006 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 45 3.994 10.553 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.751 11.959 2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.456 10.721 0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.616 11.711 2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.353 12.464 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.949 13.227 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.517 9.738 3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.863 9.115 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.162 10.372 3.389 1.00 0.00 H new ATOM 654 N LYS A 46 5.345 12.166 -1.449 1.00 0.00 N ATOM 655 CA LYS A 46 6.557 12.713 -2.035 1.00 0.00 C ATOM 656 C LYS A 46 6.834 12.016 -3.369 1.00 0.00 C ATOM 657 O LYS A 46 6.373 10.899 -3.597 1.00 0.00 O ATOM 658 CB LYS A 46 7.719 12.624 -1.043 1.00 0.00 C ATOM 659 CG LYS A 46 8.288 14.012 -0.740 1.00 0.00 C ATOM 660 CD LYS A 46 7.243 14.896 -0.055 1.00 0.00 C ATOM 661 CE LYS A 46 7.762 15.419 1.286 1.00 0.00 C ATOM 662 NZ LYS A 46 7.281 16.798 1.525 1.00 0.00 N ATOM 0 H LYS A 46 5.306 11.147 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 46 6.430 13.774 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.378 12.157 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.503 11.987 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.165 13.917 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.618 14.484 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.990 15.735 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.327 14.327 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.427 14.766 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.852 15.401 1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.642 17.138 2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.621 17.421 0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.241 16.805 1.539 1.00 0.00 H new ATOM 676 N LYS A 47 7.585 12.705 -4.215 1.00 0.00 N ATOM 677 CA LYS A 47 7.928 12.166 -5.520 1.00 0.00 C ATOM 678 C LYS A 47 9.443 11.964 -5.601 1.00 0.00 C ATOM 679 O LYS A 47 10.032 12.082 -6.675 1.00 0.00 O ATOM 680 CB LYS A 47 7.366 13.055 -6.631 1.00 0.00 C ATOM 681 CG LYS A 47 5.846 12.914 -6.730 1.00 0.00 C ATOM 682 CD LYS A 47 5.324 13.512 -8.038 1.00 0.00 C ATOM 683 CE LYS A 47 3.833 13.217 -8.219 1.00 0.00 C ATOM 684 NZ LYS A 47 3.351 13.756 -9.510 1.00 0.00 N ATOM 0 H LYS A 47 7.966 13.632 -4.022 1.00 0.00 H new ATOM 0 HA LYS A 47 7.467 11.188 -5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.626 14.095 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.823 12.785 -7.583 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.570 11.861 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.375 13.414 -5.884 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.488 14.590 -8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.884 13.102 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.662 12.141 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.267 13.659 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.338 13.547 -9.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.497 14.786 -9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.879 13.315 -10.289 1.00 0.00 H new ATOM 698 N LYS A 48 10.030 11.662 -4.452 1.00 0.00 N ATOM 699 CA LYS A 48 11.464 11.442 -4.380 1.00 0.00 C ATOM 700 C LYS A 48 11.828 10.932 -2.984 1.00 0.00 C ATOM 701 O LYS A 48 11.470 11.548 -1.981 1.00 0.00 O ATOM 702 CB LYS A 48 12.222 12.707 -4.789 1.00 0.00 C ATOM 703 CG LYS A 48 12.760 12.587 -6.216 1.00 0.00 C ATOM 704 CD LYS A 48 14.286 12.471 -6.218 1.00 0.00 C ATOM 705 CE LYS A 48 14.939 13.845 -6.384 1.00 0.00 C ATOM 706 NZ LYS A 48 16.200 13.916 -5.613 1.00 0.00 N ATOM 0 H LYS A 48 9.538 11.565 -3.564 1.00 0.00 H new ATOM 0 HA LYS A 48 11.767 10.673 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.561 13.571 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.048 12.880 -4.099 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.325 11.713 -6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.457 13.458 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.621 12.015 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.603 11.813 -7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.140 14.034 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.255 14.623 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.630 14.855 -5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.000 13.757 -4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.857 13.186 -5.955 1.00 0.00 H new ATOM 720 N ASP A 49 12.534 9.811 -2.964 1.00 0.00 N ATOM 721 CA ASP A 49 12.950 9.211 -1.708 1.00 0.00 C ATOM 722 C ASP A 49 14.296 9.804 -1.285 1.00 0.00 C ATOM 723 O ASP A 49 15.025 10.350 -2.112 1.00 0.00 O ATOM 724 CB ASP A 49 13.124 7.698 -1.851 1.00 0.00 C ATOM 725 CG ASP A 49 13.743 7.240 -3.173 1.00 0.00 C ATOM 726 OD1 ASP A 49 13.195 7.638 -4.224 1.00 0.00 O ATOM 727 OD2 ASP A 49 14.750 6.503 -3.103 1.00 0.00 O ATOM 0 H ASP A 49 12.828 9.303 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 49 12.179 9.417 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.748 7.340 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.149 7.223 -1.740 1.00 0.00 H new ATOM 732 N PRO A 50 14.593 9.672 0.035 1.00 0.00 N ATOM 733 CA PRO A 50 15.838 10.188 0.577 1.00 0.00 C ATOM 734 C PRO A 50 17.018 9.295 0.188 1.00 0.00 C ATOM 735 O PRO A 50 17.748 8.812 1.052 1.00 0.00 O ATOM 736 CB PRO A 50 15.615 10.256 2.079 1.00 0.00 C ATOM 737 CG PRO A 50 14.433 9.346 2.367 1.00 0.00 C ATOM 738 CD PRO A 50 13.754 9.032 1.044 1.00 0.00 C ATOM 0 HA PRO A 50 16.094 11.171 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.502 9.927 2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.408 11.278 2.397 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.767 8.429 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.735 9.831 3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.687 7.957 0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.737 9.423 1.019 1.00 0.00 H new ATOM 746 N MET A 51 17.168 9.101 -1.114 1.00 0.00 N ATOM 747 CA MET A 51 18.246 8.274 -1.629 1.00 0.00 C ATOM 748 C MET A 51 18.577 8.644 -3.076 1.00 0.00 C ATOM 749 O MET A 51 19.716 8.988 -3.388 1.00 0.00 O ATOM 750 CB MET A 51 17.838 6.801 -1.558 1.00 0.00 C ATOM 751 CG MET A 51 18.287 6.171 -0.238 1.00 0.00 C ATOM 752 SD MET A 51 19.111 4.619 -0.552 1.00 0.00 S ATOM 753 CE MET A 51 17.749 3.674 -1.213 1.00 0.00 C ATOM 0 H MET A 51 16.560 9.503 -1.828 1.00 0.00 H new ATOM 0 HA MET A 51 19.133 8.444 -1.019 1.00 0.00 H new ATOM 0 HB2 MET A 51 16.756 6.714 -1.657 1.00 0.00 H new ATOM 0 HB3 MET A 51 18.279 6.257 -2.393 1.00 0.00 H new ATOM 0 HG2 MET A 51 18.959 6.849 0.288 1.00 0.00 H new ATOM 0 HG3 MET A 51 17.425 6.010 0.410 1.00 0.00 H new ATOM 0 HE1 MET A 51 18.040 2.627 -1.298 1.00 0.00 H new ATOM 0 HE2 MET A 51 16.890 3.759 -0.547 1.00 0.00 H new ATOM 0 HE3 MET A 51 17.484 4.058 -2.198 1.00 0.00 H new ATOM 763 N GLY A 52 17.561 8.559 -3.922 1.00 0.00 N ATOM 764 CA GLY A 52 17.730 8.880 -5.329 1.00 0.00 C ATOM 765 C GLY A 52 17.051 7.833 -6.216 1.00 0.00 C ATOM 766 O GLY A 52 17.725 7.049 -6.882 1.00 0.00 O ATOM 0 H GLY A 52 16.618 8.272 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.309 9.864 -5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.792 8.932 -5.569 1.00 0.00 H new ATOM 770 N SER A 53 15.727 7.855 -6.194 1.00 0.00 N ATOM 771 CA SER A 53 14.950 6.918 -6.987 1.00 0.00 C ATOM 772 C SER A 53 13.534 7.458 -7.199 1.00 0.00 C ATOM 773 O SER A 53 12.602 7.053 -6.507 1.00 0.00 O ATOM 774 CB SER A 53 14.899 5.542 -6.320 1.00 0.00 C ATOM 775 OG SER A 53 15.851 4.641 -6.880 1.00 0.00 O ATOM 0 H SER A 53 15.172 8.507 -5.639 1.00 0.00 H new ATOM 0 HA SER A 53 15.437 6.805 -7.956 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.087 5.650 -5.252 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.898 5.124 -6.427 1.00 0.00 H new ATOM 0 HG SER A 53 16.698 5.111 -7.028 1.00 0.00 H new ATOM 781 N GLN A 54 13.419 8.366 -8.157 1.00 0.00 N ATOM 782 CA GLN A 54 12.132 8.966 -8.468 1.00 0.00 C ATOM 783 C GLN A 54 11.112 7.882 -8.821 1.00 0.00 C ATOM 784 O GLN A 54 9.911 8.068 -8.631 1.00 0.00 O ATOM 785 CB GLN A 54 12.263 9.986 -9.601 1.00 0.00 C ATOM 786 CG GLN A 54 13.086 9.417 -10.759 1.00 0.00 C ATOM 787 CD GLN A 54 12.320 9.523 -12.079 1.00 0.00 C ATOM 788 OE1 GLN A 54 12.446 10.481 -12.824 1.00 0.00 O ATOM 789 NE2 GLN A 54 11.522 8.488 -12.326 1.00 0.00 N ATOM 0 H GLN A 54 14.195 8.701 -8.728 1.00 0.00 H new ATOM 0 HA GLN A 54 11.777 9.497 -7.584 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.272 10.267 -9.958 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.736 10.893 -9.225 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.030 9.956 -10.838 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.330 8.374 -10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.464 7.718 -11.659 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.968 8.464 -13.182 1.00 0.00 H new ATOM 798 N ASN A 55 11.628 6.772 -9.330 1.00 0.00 N ATOM 799 CA ASN A 55 10.777 5.658 -9.711 1.00 0.00 C ATOM 800 C ASN A 55 9.881 5.278 -8.530 1.00 0.00 C ATOM 801 O ASN A 55 8.749 4.836 -8.721 1.00 0.00 O ATOM 802 CB ASN A 55 11.610 4.431 -10.087 1.00 0.00 C ATOM 803 CG ASN A 55 11.392 4.047 -11.551 1.00 0.00 C ATOM 804 OD1 ASN A 55 12.053 4.535 -12.453 1.00 0.00 O ATOM 805 ND2 ASN A 55 10.430 3.148 -11.737 1.00 0.00 N ATOM 0 H ASN A 55 12.624 6.621 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 55 10.183 5.967 -10.571 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.666 4.638 -9.915 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.341 3.593 -9.444 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.207 2.827 -12.679 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.915 2.780 -10.938 1.00 0.00 H new ATOM 812 N ARG A 56 10.423 5.463 -7.335 1.00 0.00 N ATOM 813 CA ARG A 56 9.687 5.145 -6.123 1.00 0.00 C ATOM 814 C ARG A 56 9.165 6.425 -5.468 1.00 0.00 C ATOM 815 O ARG A 56 9.908 7.391 -5.305 1.00 0.00 O ATOM 816 CB ARG A 56 10.569 4.392 -5.125 1.00 0.00 C ATOM 817 CG ARG A 56 9.719 3.635 -4.103 1.00 0.00 C ATOM 818 CD ARG A 56 10.577 2.669 -3.283 1.00 0.00 C ATOM 819 NE ARG A 56 11.438 3.427 -2.348 1.00 0.00 N ATOM 820 CZ ARG A 56 12.672 3.858 -2.643 1.00 0.00 C ATOM 821 NH1 ARG A 56 13.197 3.608 -3.850 1.00 0.00 N ATOM 822 NH2 ARG A 56 13.380 4.538 -1.731 1.00 0.00 N ATOM 0 H ARG A 56 11.362 5.829 -7.180 1.00 0.00 H new ATOM 0 HA ARG A 56 8.848 4.508 -6.402 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.212 3.692 -5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.223 5.095 -4.610 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.227 4.344 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.933 3.082 -4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.937 1.983 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.193 2.063 -3.947 1.00 0.00 H new ATOM 0 HE ARG A 56 11.069 3.635 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.657 3.090 -4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.136 3.936 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.980 4.728 -0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.319 4.866 -1.956 1.00 0.00 H new ATOM 836 N TRP A 57 7.889 6.390 -5.110 1.00 0.00 N ATOM 837 CA TRP A 57 7.259 7.536 -4.476 1.00 0.00 C ATOM 838 C TRP A 57 6.755 7.097 -3.100 1.00 0.00 C ATOM 839 O TRP A 57 6.564 5.906 -2.855 1.00 0.00 O ATOM 840 CB TRP A 57 6.152 8.112 -5.362 1.00 0.00 C ATOM 841 CG TRP A 57 6.663 8.788 -6.636 1.00 0.00 C ATOM 842 CD1 TRP A 57 7.917 9.161 -6.925 1.00 0.00 C ATOM 843 CD2 TRP A 57 5.876 9.158 -7.787 1.00 0.00 C ATOM 844 NE1 TRP A 57 7.996 9.743 -8.174 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.715 9.741 -8.715 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.501 9.005 -8.037 1.00 0.00 C ATOM 847 CZ2 TRP A 57 6.274 10.217 -9.956 1.00 0.00 C ATOM 848 CZ3 TRP A 57 4.076 9.487 -9.281 1.00 0.00 C ATOM 849 CH2 TRP A 57 4.907 10.076 -10.226 1.00 0.00 C ATOM 0 H TRP A 57 7.275 5.587 -5.247 1.00 0.00 H new ATOM 0 HA TRP A 57 7.976 8.346 -4.342 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.467 7.310 -5.638 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.578 8.836 -4.784 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.760 9.024 -6.264 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.839 10.107 -8.618 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.826 8.552 -7.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.951 10.668 -10.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 3.028 9.394 -9.523 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.501 10.423 -11.164 1.00 0.00 H new ATOM 860 N LEU A 58 6.554 8.082 -2.237 1.00 0.00 N ATOM 861 CA LEU A 58 6.077 7.812 -0.891 1.00 0.00 C ATOM 862 C LEU A 58 4.583 8.134 -0.811 1.00 0.00 C ATOM 863 O LEU A 58 4.166 9.244 -1.138 1.00 0.00 O ATOM 864 CB LEU A 58 6.924 8.562 0.139 1.00 0.00 C ATOM 865 CG LEU A 58 6.436 8.493 1.587 1.00 0.00 C ATOM 866 CD1 LEU A 58 6.757 7.133 2.210 1.00 0.00 C ATOM 867 CD2 LEU A 58 7.002 9.650 2.412 1.00 0.00 C ATOM 0 H LEU A 58 6.713 9.068 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 58 6.190 6.755 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.940 8.169 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.976 9.610 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 58 5.351 8.598 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.399 7.111 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.266 6.346 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.835 6.972 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.640 9.577 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.091 9.601 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.679 10.597 1.980 1.00 0.00 H new ATOM 879 N ILE A 59 3.819 7.144 -0.373 1.00 0.00 N ATOM 880 CA ILE A 59 2.381 7.308 -0.245 1.00 0.00 C ATOM 881 C ILE A 59 1.948 6.895 1.162 1.00 0.00 C ATOM 882 O ILE A 59 2.698 6.232 1.877 1.00 0.00 O ATOM 883 CB ILE A 59 1.655 6.553 -1.360 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.888 5.045 -1.242 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.053 7.089 -2.736 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.179 4.475 -0.012 1.00 0.00 C ATOM 0 H ILE A 59 4.169 6.225 -0.102 1.00 0.00 H new ATOM 0 HA ILE A 59 2.104 8.355 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 59 0.584 6.724 -1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.524 4.546 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.957 4.843 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.522 6.534 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.794 8.145 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.127 6.970 -2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.361 3.402 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.563 4.959 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.107 4.657 -0.093 1.00 0.00 H new ATOM 898 N ASP A 60 0.739 7.303 1.519 1.00 0.00 N ATOM 899 CA ASP A 60 0.197 6.983 2.828 1.00 0.00 C ATOM 900 C ASP A 60 -1.034 6.089 2.662 1.00 0.00 C ATOM 901 O ASP A 60 -1.903 6.372 1.838 1.00 0.00 O ATOM 902 CB ASP A 60 -0.235 8.249 3.570 1.00 0.00 C ATOM 903 CG ASP A 60 0.185 8.312 5.040 1.00 0.00 C ATOM 904 OD1 ASP A 60 -0.370 7.511 5.823 1.00 0.00 O ATOM 905 OD2 ASP A 60 1.050 9.161 5.347 1.00 0.00 O ATOM 0 H ASP A 60 0.119 7.853 0.924 1.00 0.00 H new ATOM 0 HA ASP A 60 0.975 6.477 3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.178 9.114 3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.320 8.332 3.514 1.00 0.00 H new ATOM 910 N ASN A 61 -1.069 5.030 3.456 1.00 0.00 N ATOM 911 CA ASN A 61 -2.179 4.093 3.407 1.00 0.00 C ATOM 912 C ASN A 61 -3.142 4.390 4.557 1.00 0.00 C ATOM 913 O ASN A 61 -3.920 3.526 4.959 1.00 0.00 O ATOM 914 CB ASN A 61 -1.690 2.651 3.559 1.00 0.00 C ATOM 915 CG ASN A 61 -1.347 2.340 5.017 1.00 0.00 C ATOM 916 OD1 ASN A 61 -2.162 1.852 5.783 1.00 0.00 O ATOM 917 ND2 ASN A 61 -0.099 2.648 5.357 1.00 0.00 N ATOM 0 H ASN A 61 -0.346 4.799 4.138 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.673 4.206 2.442 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.459 1.963 3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.812 2.493 2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.227 2.478 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.532 3.054 4.666 1.00 0.00 H new ATOM 924 N GLY A 62 -3.059 5.615 5.055 1.00 0.00 N ATOM 925 CA GLY A 62 -3.914 6.037 6.152 1.00 0.00 C ATOM 926 C GLY A 62 -3.537 5.317 7.449 1.00 0.00 C ATOM 927 O GLY A 62 -4.385 5.106 8.314 1.00 0.00 O ATOM 0 H GLY A 62 -2.413 6.329 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.827 7.115 6.292 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.956 5.830 5.906 1.00 0.00 H new ATOM 931 N VAL A 63 -2.265 4.960 7.542 1.00 0.00 N ATOM 932 CA VAL A 63 -1.766 4.268 8.718 1.00 0.00 C ATOM 933 C VAL A 63 -0.304 4.657 8.951 1.00 0.00 C ATOM 934 O VAL A 63 0.077 5.013 10.065 1.00 0.00 O ATOM 935 CB VAL A 63 -1.965 2.759 8.562 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.645 2.026 9.866 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.384 2.440 8.087 1.00 0.00 C ATOM 0 H VAL A 63 -1.565 5.137 6.822 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.328 4.566 9.603 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.270 2.406 7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.795 0.955 9.728 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.608 2.215 10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.304 2.385 10.656 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.499 1.361 7.984 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.104 2.814 8.815 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.561 2.917 7.123 1.00 0.00 H new ATOM 947 N THR A 64 0.474 4.577 7.882 1.00 0.00 N ATOM 948 CA THR A 64 1.885 4.916 7.956 1.00 0.00 C ATOM 949 C THR A 64 2.382 5.427 6.603 1.00 0.00 C ATOM 950 O THR A 64 1.589 5.865 5.771 1.00 0.00 O ATOM 951 CB THR A 64 2.642 3.684 8.455 1.00 0.00 C ATOM 952 OG1 THR A 64 3.940 4.178 8.771 1.00 0.00 O ATOM 953 CG2 THR A 64 2.892 2.661 7.346 1.00 0.00 C ATOM 0 H THR A 64 0.154 4.282 6.959 1.00 0.00 H new ATOM 0 HA THR A 64 2.060 5.730 8.660 1.00 0.00 H new ATOM 0 HB THR A 64 2.078 3.214 9.261 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.618 3.582 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.432 1.807 7.754 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.938 2.326 6.938 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.484 3.120 6.554 1.00 0.00 H new ATOM 961 N LYS A 65 3.693 5.355 6.424 1.00 0.00 N ATOM 962 CA LYS A 65 4.306 5.805 5.186 1.00 0.00 C ATOM 963 C LYS A 65 4.965 4.615 4.486 1.00 0.00 C ATOM 964 O LYS A 65 5.825 3.951 5.061 1.00 0.00 O ATOM 965 CB LYS A 65 5.263 6.968 5.454 1.00 0.00 C ATOM 966 CG LYS A 65 4.529 8.309 5.388 1.00 0.00 C ATOM 967 CD LYS A 65 5.427 9.450 5.872 1.00 0.00 C ATOM 968 CE LYS A 65 4.623 10.737 6.063 1.00 0.00 C ATOM 969 NZ LYS A 65 5.383 11.903 5.561 1.00 0.00 N ATOM 0 H LYS A 65 4.348 4.991 7.116 1.00 0.00 H new ATOM 0 HA LYS A 65 3.549 6.196 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.721 6.848 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.071 6.955 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.209 8.503 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.628 8.265 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.901 9.170 6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.226 9.620 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.672 10.661 5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.391 10.874 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.774 12.746 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.211 12.066 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.700 11.718 4.588 1.00 0.00 H new ATOM 983 N GLY A 66 4.535 4.382 3.254 1.00 0.00 N ATOM 984 CA GLY A 66 5.072 3.284 2.470 1.00 0.00 C ATOM 985 C GLY A 66 5.555 3.772 1.102 1.00 0.00 C ATOM 986 O GLY A 66 5.009 4.727 0.552 1.00 0.00 O ATOM 0 H GLY A 66 3.821 4.935 2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.899 2.819 3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.307 2.519 2.338 1.00 0.00 H new ATOM 990 N PHE A 67 6.573 3.093 0.592 1.00 0.00 N ATOM 991 CA PHE A 67 7.134 3.446 -0.700 1.00 0.00 C ATOM 992 C PHE A 67 6.754 2.413 -1.763 1.00 0.00 C ATOM 993 O PHE A 67 7.015 1.222 -1.599 1.00 0.00 O ATOM 994 CB PHE A 67 8.656 3.457 -0.539 1.00 0.00 C ATOM 995 CG PHE A 67 9.200 4.712 0.145 1.00 0.00 C ATOM 996 CD1 PHE A 67 9.185 4.809 1.502 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.698 5.733 -0.603 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.690 5.974 2.136 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.203 6.898 0.031 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.189 6.994 1.388 1.00 0.00 C ATOM 0 H PHE A 67 7.023 2.301 1.051 1.00 0.00 H new ATOM 0 HA PHE A 67 6.751 4.415 -1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.956 2.582 0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.116 3.364 -1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.789 3.999 2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.709 5.657 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.678 6.050 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.598 7.708 -0.564 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.574 7.880 1.871 1.00 0.00 H new ATOM 1010 N VAL A 68 6.142 2.907 -2.830 1.00 0.00 N ATOM 1011 CA VAL A 68 5.723 2.042 -3.920 1.00 0.00 C ATOM 1012 C VAL A 68 6.008 2.735 -5.253 1.00 0.00 C ATOM 1013 O VAL A 68 6.198 3.950 -5.298 1.00 0.00 O ATOM 1014 CB VAL A 68 4.251 1.659 -3.747 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.053 0.793 -2.501 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.363 2.904 -3.697 1.00 0.00 C ATOM 0 H VAL A 68 5.926 3.895 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 68 6.291 1.111 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 68 3.953 1.070 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.999 0.535 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.643 -0.119 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.376 1.345 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.322 2.604 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.662 3.531 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.471 3.466 -4.625 1.00 0.00 H new ATOM 1026 N TYR A 69 6.028 1.933 -6.308 1.00 0.00 N ATOM 1027 CA TYR A 69 6.286 2.454 -7.639 1.00 0.00 C ATOM 1028 C TYR A 69 4.994 2.940 -8.299 1.00 0.00 C ATOM 1029 O TYR A 69 4.012 2.202 -8.367 1.00 0.00 O ATOM 1030 CB TYR A 69 6.849 1.284 -8.448 1.00 0.00 C ATOM 1031 CG TYR A 69 8.172 0.735 -7.911 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.213 1.596 -7.630 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.324 -0.622 -7.706 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.458 1.079 -7.124 1.00 0.00 C ATOM 1035 CE2 TYR A 69 9.569 -1.138 -7.200 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.575 -0.263 -6.934 1.00 0.00 C ATOM 1037 OH TYR A 69 11.751 -0.751 -6.456 1.00 0.00 O ATOM 0 H TYR A 69 5.870 0.926 -6.267 1.00 0.00 H new ATOM 0 HA TYR A 69 6.972 3.300 -7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.114 0.480 -8.464 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.993 1.605 -9.480 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.094 2.657 -7.790 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.509 -1.296 -7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.281 1.742 -6.900 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.701 -2.197 -7.035 1.00 0.00 H new ATOM 0 HH TYR A 69 11.690 -1.725 -6.369 1.00 0.00 H new ATOM 1047 N SER A 70 5.035 4.178 -8.768 1.00 0.00 N ATOM 1048 CA SER A 70 3.879 4.771 -9.419 1.00 0.00 C ATOM 1049 C SER A 70 3.193 3.735 -10.311 1.00 0.00 C ATOM 1050 O SER A 70 1.982 3.795 -10.519 1.00 0.00 O ATOM 1051 CB SER A 70 4.280 5.997 -10.242 1.00 0.00 C ATOM 1052 OG SER A 70 5.529 5.813 -10.902 1.00 0.00 O ATOM 0 H SER A 70 5.851 4.787 -8.710 1.00 0.00 H new ATOM 0 HA SER A 70 3.181 5.097 -8.648 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.507 6.206 -10.981 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.340 6.868 -9.589 1.00 0.00 H new ATOM 0 HG SER A 70 5.748 6.617 -11.418 1.00 0.00 H new ATOM 1058 N SER A 71 3.996 2.809 -10.814 1.00 0.00 N ATOM 1059 CA SER A 71 3.481 1.761 -11.679 1.00 0.00 C ATOM 1060 C SER A 71 2.366 0.994 -10.965 1.00 0.00 C ATOM 1061 O SER A 71 1.298 0.771 -11.534 1.00 0.00 O ATOM 1062 CB SER A 71 4.594 0.802 -12.106 1.00 0.00 C ATOM 1063 OG SER A 71 4.870 0.892 -13.501 1.00 0.00 O ATOM 0 H SER A 71 5.000 2.763 -10.639 1.00 0.00 H new ATOM 0 HA SER A 71 3.076 2.228 -12.577 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.500 1.024 -11.542 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.307 -0.220 -11.858 1.00 0.00 H new ATOM 0 HG SER A 71 5.587 0.266 -13.734 1.00 0.00 H new ATOM 1069 N PHE A 72 2.651 0.612 -9.728 1.00 0.00 N ATOM 1070 CA PHE A 72 1.686 -0.125 -8.931 1.00 0.00 C ATOM 1071 C PHE A 72 0.528 0.778 -8.500 1.00 0.00 C ATOM 1072 O PHE A 72 -0.433 0.312 -7.889 1.00 0.00 O ATOM 1073 CB PHE A 72 2.421 -0.620 -7.684 1.00 0.00 C ATOM 1074 CG PHE A 72 3.107 -1.976 -7.864 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.363 -3.114 -7.912 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.461 -2.044 -7.976 1.00 0.00 C ATOM 1077 CE1 PHE A 72 2.999 -4.372 -8.078 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.097 -3.302 -8.143 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.353 -4.440 -8.191 1.00 0.00 C ATOM 0 H PHE A 72 3.537 0.800 -9.259 1.00 0.00 H new ATOM 0 HA PHE A 72 1.273 -0.948 -9.514 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.169 0.119 -7.398 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.711 -0.690 -6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.288 -3.060 -7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.052 -1.141 -7.938 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.408 -5.275 -8.115 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.172 -3.356 -8.232 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.837 -5.397 -8.319 1.00 0.00 H new ATOM 1089 N LEU A 73 0.657 2.053 -8.836 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.367 3.025 -8.492 1.00 0.00 C ATOM 1091 C LEU A 73 -0.951 3.620 -9.775 1.00 0.00 C ATOM 1092 O LEU A 73 -0.370 3.479 -10.850 1.00 0.00 O ATOM 1093 CB LEU A 73 0.191 4.072 -7.527 1.00 0.00 C ATOM 1094 CG LEU A 73 0.767 3.536 -6.215 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.649 4.585 -5.534 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.346 3.037 -5.291 1.00 0.00 C ATOM 0 H LEU A 73 1.455 2.436 -9.343 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.188 2.542 -7.962 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.972 4.632 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.604 4.779 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 73 1.403 2.681 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.046 4.178 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.474 4.851 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.056 5.474 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.090 2.661 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.026 3.858 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.896 2.236 -5.784 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.094 4.272 -9.620 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.763 4.889 -10.753 1.00 0.00 C ATOM 1110 C LYS A 74 -3.324 6.248 -10.330 1.00 0.00 C ATOM 1111 O LYS A 74 -3.747 6.421 -9.188 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.817 3.943 -11.333 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.859 3.569 -10.277 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.257 4.027 -10.700 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.134 2.832 -11.077 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.424 3.292 -11.638 1.00 0.00 N ATOM 0 H LYS A 74 -2.574 4.386 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.054 5.073 -11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.309 4.418 -12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.334 3.041 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.857 2.490 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.596 4.026 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.723 4.583 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.180 4.708 -11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.616 2.208 -11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.313 2.213 -10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.007 2.468 -11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.924 3.868 -10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.248 3.863 -12.489 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.308 7.203 -11.298 1.00 0.00 N ATOM 1131 CA PRO A 75 -3.809 8.542 -11.038 1.00 0.00 C ATOM 1132 C PRO A 75 -5.338 8.557 -11.001 1.00 0.00 C ATOM 1133 O PRO A 75 -5.989 8.565 -12.045 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.234 9.401 -12.152 1.00 0.00 C ATOM 1135 CG PRO A 75 -2.817 8.435 -13.250 1.00 0.00 C ATOM 1136 CD PRO A 75 -2.813 7.034 -12.662 1.00 0.00 C ATOM 0 HA PRO A 75 -3.505 8.923 -10.063 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.974 10.113 -12.518 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.382 9.981 -11.798 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.507 8.494 -14.092 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.828 8.692 -13.630 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.452 6.362 -13.235 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.811 6.604 -12.669 1.00 0.00 H new ATOM 1144 N TYR A 76 -5.869 8.559 -9.786 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.309 8.573 -9.599 1.00 0.00 C ATOM 1146 C TYR A 76 -7.936 9.804 -10.256 1.00 0.00 C ATOM 1147 O TYR A 76 -7.232 10.628 -10.838 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.537 8.646 -8.088 1.00 0.00 C ATOM 1149 CG TYR A 76 -8.975 8.346 -7.660 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.481 7.068 -7.789 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.767 9.352 -7.146 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.835 6.785 -7.387 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.120 9.070 -6.744 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.588 7.801 -6.884 1.00 0.00 C ATOM 1155 OH TYR A 76 -12.866 7.534 -6.504 1.00 0.00 O ATOM 0 H TYR A 76 -5.327 8.551 -8.922 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.762 7.690 -10.049 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.868 7.941 -7.596 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.265 9.642 -7.738 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.861 6.280 -8.191 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.371 10.352 -7.045 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.243 5.790 -7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.750 9.849 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.284 8.352 -6.163 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.253 9.891 -10.142 1.00 0.00 N ATOM 1166 CA ASN A 77 -9.983 11.007 -10.719 1.00 0.00 C ATOM 1167 C ASN A 77 -11.425 10.987 -10.208 1.00 0.00 C ATOM 1168 O ASN A 77 -12.282 10.319 -10.784 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.021 10.912 -12.245 1.00 0.00 C ATOM 1170 CG ASN A 77 -10.460 12.239 -12.867 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -11.009 13.109 -12.212 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -10.189 12.344 -14.165 1.00 0.00 N ATOM 0 H ASN A 77 -9.834 9.206 -9.658 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.476 11.927 -10.428 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.035 10.639 -12.620 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.707 10.120 -12.547 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.443 13.192 -14.672 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.727 11.577 -14.653 1.00 0.00 H new