USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 HIS : no HD1:sc= -0.101 K(o=-3,f=-3.5) USER MOD Set 1.2: A 41 MET CE :methyl -157:sc= -2.85! (180deg=-3.95!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -4.65! C(o=-4.7!,f=-14!) USER MOD Single : A 25 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.0583 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= -0.0181 (180deg=-0.18) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.62 X(o=-1.6,f=-2!) USER MOD Single : A 54 LYS NZ :NH3+ -144:sc= 0.136 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -5.34! C(o=-5.3!,f=-9!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= -0.11 (180deg=-0.618) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.2!) USER MOD Single : A 67 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.09) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -1.173 -13.878 -4.725 1.00 0.00 N ATOM 67 CA PRO A 8 -1.155 -12.715 -5.617 1.00 0.00 C ATOM 68 C PRO A 8 -0.222 -11.617 -5.120 1.00 0.00 C ATOM 69 O PRO A 8 0.254 -11.659 -3.985 1.00 0.00 O ATOM 70 CB PRO A 8 -2.607 -12.232 -5.600 1.00 0.00 C ATOM 71 CG PRO A 8 -3.151 -12.710 -4.297 1.00 0.00 C ATOM 72 CD PRO A 8 -2.455 -14.012 -4.012 1.00 0.00 C ATOM 0 HA PRO A 8 -0.788 -12.970 -6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.664 -11.146 -5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.170 -12.642 -6.438 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.962 -11.985 -3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.231 -12.848 -4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.306 -14.162 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.030 -14.863 -4.376 1.00 0.00 H new ATOM 80 N LYS A 9 0.035 -10.633 -5.974 1.00 0.00 N ATOM 81 CA LYS A 9 0.909 -9.521 -5.620 1.00 0.00 C ATOM 82 C LYS A 9 0.097 -8.316 -5.158 1.00 0.00 C ATOM 83 O LYS A 9 -0.604 -7.688 -5.950 1.00 0.00 O ATOM 84 CB LYS A 9 1.783 -9.133 -6.815 1.00 0.00 C ATOM 85 CG LYS A 9 2.681 -7.936 -6.550 1.00 0.00 C ATOM 86 CD LYS A 9 3.868 -8.312 -5.679 1.00 0.00 C ATOM 87 CE LYS A 9 5.040 -8.801 -6.516 1.00 0.00 C ATOM 88 NZ LYS A 9 5.895 -9.760 -5.766 1.00 0.00 N ATOM 0 H LYS A 9 -0.350 -10.583 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 9 1.549 -9.842 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.402 -9.986 -7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.141 -8.913 -7.668 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.037 -7.530 -7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.106 -7.149 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.176 -7.449 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.572 -9.090 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.665 -9.279 -7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.641 -7.949 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.682 -10.070 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.273 -9.296 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.328 -10.586 -5.486 1.00 0.00 H new ATOM 102 N ALA A 10 0.200 -7.997 -3.872 1.00 0.00 N ATOM 103 CA ALA A 10 -0.522 -6.864 -3.306 1.00 0.00 C ATOM 104 C ALA A 10 -0.120 -5.561 -3.988 1.00 0.00 C ATOM 105 O ALA A 10 1.025 -5.118 -3.909 1.00 0.00 O ATOM 106 CB ALA A 10 -0.274 -6.777 -1.807 1.00 0.00 C ATOM 0 H ALA A 10 0.776 -8.507 -3.203 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.587 -7.020 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.819 -5.927 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.618 -7.694 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.792 -6.648 -1.622 1.00 0.00 H new ATOM 112 N PRO A 11 -1.084 -4.930 -4.675 1.00 0.00 N ATOM 113 CA PRO A 11 -0.855 -3.668 -5.384 1.00 0.00 C ATOM 114 C PRO A 11 -0.634 -2.499 -4.432 1.00 0.00 C ATOM 115 O PRO A 11 -0.365 -2.693 -3.246 1.00 0.00 O ATOM 116 CB PRO A 11 -2.145 -3.470 -6.184 1.00 0.00 C ATOM 117 CG PRO A 11 -3.181 -4.223 -5.422 1.00 0.00 C ATOM 118 CD PRO A 11 -2.474 -5.401 -4.812 1.00 0.00 C ATOM 0 HA PRO A 11 0.043 -3.705 -6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.403 -2.414 -6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.044 -3.853 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.631 -3.596 -4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.988 -4.549 -6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.903 -5.672 -3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.539 -6.283 -5.449 1.00 0.00 H new ATOM 126 N VAL A 12 -0.751 -1.283 -4.956 1.00 0.00 N ATOM 127 CA VAL A 12 -0.565 -0.082 -4.151 1.00 0.00 C ATOM 128 C VAL A 12 -1.827 0.773 -4.142 1.00 0.00 C ATOM 129 O VAL A 12 -2.555 0.840 -5.134 1.00 0.00 O ATOM 130 CB VAL A 12 0.612 0.766 -4.669 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.937 0.086 -4.361 1.00 0.00 C ATOM 132 CG2 VAL A 12 0.468 1.018 -6.163 1.00 0.00 C ATOM 0 H VAL A 12 -0.974 -1.104 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.345 -0.413 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 12 0.598 1.728 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.757 0.700 -4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.040 -0.040 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.966 -0.891 -4.844 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.308 1.619 -6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.457 0.066 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.464 1.551 -6.354 1.00 0.00 H new ATOM 142 N THR A 13 -2.083 1.428 -3.013 1.00 0.00 N ATOM 143 CA THR A 13 -3.259 2.278 -2.872 1.00 0.00 C ATOM 144 C THR A 13 -3.199 3.461 -3.832 1.00 0.00 C ATOM 145 O THR A 13 -2.146 3.765 -4.393 1.00 0.00 O ATOM 146 CB THR A 13 -3.401 2.807 -1.433 1.00 0.00 C ATOM 147 OG1 THR A 13 -4.603 3.574 -1.309 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.204 3.663 -1.050 1.00 0.00 C ATOM 0 H THR A 13 -1.491 1.386 -2.183 1.00 0.00 H new ATOM 0 HA THR A 13 -4.125 1.661 -3.111 1.00 0.00 H new ATOM 0 HB THR A 13 -3.446 1.952 -0.758 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.686 3.905 -0.390 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.327 4.025 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.294 3.066 -1.116 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.131 4.512 -1.730 1.00 0.00 H new ATOM 156 N GLY A 14 -4.334 4.127 -4.015 1.00 0.00 N ATOM 157 CA GLY A 14 -4.389 5.270 -4.908 1.00 0.00 C ATOM 158 C GLY A 14 -3.358 6.327 -4.560 1.00 0.00 C ATOM 159 O GLY A 14 -2.831 7.004 -5.443 1.00 0.00 O ATOM 0 H GLY A 14 -5.217 3.896 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.230 4.935 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.385 5.711 -4.868 1.00 0.00 H new ATOM 163 N TYR A 15 -3.071 6.469 -3.271 1.00 0.00 N ATOM 164 CA TYR A 15 -2.101 7.453 -2.808 1.00 0.00 C ATOM 165 C TYR A 15 -0.706 7.133 -3.337 1.00 0.00 C ATOM 166 O TYR A 15 -0.113 7.919 -4.077 1.00 0.00 O ATOM 167 CB TYR A 15 -2.080 7.501 -1.280 1.00 0.00 C ATOM 168 CG TYR A 15 -0.937 8.313 -0.713 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.545 9.507 -1.309 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.250 7.889 0.417 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.499 10.252 -0.796 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.795 8.628 0.937 1.00 0.00 C ATOM 173 CZ TYR A 15 1.166 9.808 0.327 1.00 0.00 C ATOM 174 OH TYR A 15 2.206 10.548 0.841 1.00 0.00 O ATOM 0 H TYR A 15 -3.497 5.915 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.401 8.429 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.022 7.919 -0.925 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.018 6.483 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.066 9.858 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.538 6.966 0.898 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.791 11.177 -1.271 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.319 8.284 1.817 1.00 0.00 H new ATOM 0 HH TYR A 15 2.568 10.098 1.633 1.00 0.00 H new ATOM 184 N VAL A 16 -0.187 5.971 -2.952 1.00 0.00 N ATOM 185 CA VAL A 16 1.138 5.544 -3.387 1.00 0.00 C ATOM 186 C VAL A 16 1.207 5.430 -4.906 1.00 0.00 C ATOM 187 O VAL A 16 2.197 5.820 -5.524 1.00 0.00 O ATOM 188 CB VAL A 16 1.524 4.190 -2.764 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.731 3.598 -3.476 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.798 4.347 -1.275 1.00 0.00 C ATOM 0 H VAL A 16 -0.664 5.309 -2.340 1.00 0.00 H new ATOM 0 HA VAL A 16 1.842 6.305 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 16 0.687 3.503 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.989 2.641 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.494 3.447 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.576 4.281 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.069 3.380 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.617 5.051 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.904 4.723 -0.778 1.00 0.00 H new ATOM 200 N ARG A 17 0.147 4.893 -5.502 1.00 0.00 N ATOM 201 CA ARG A 17 0.087 4.726 -6.949 1.00 0.00 C ATOM 202 C ARG A 17 0.572 5.986 -7.662 1.00 0.00 C ATOM 203 O ARG A 17 1.321 5.910 -8.637 1.00 0.00 O ATOM 204 CB ARG A 17 -1.341 4.397 -7.388 1.00 0.00 C ATOM 205 CG ARG A 17 -1.411 3.544 -8.643 1.00 0.00 C ATOM 206 CD ARG A 17 -2.850 3.236 -9.027 1.00 0.00 C ATOM 207 NE ARG A 17 -2.951 2.693 -10.380 1.00 0.00 N ATOM 208 CZ ARG A 17 -3.008 3.448 -11.471 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.972 4.769 -11.370 1.00 0.00 N ATOM 210 NH2 ARG A 17 -3.100 2.880 -12.666 1.00 0.00 N ATOM 0 H ARG A 17 -0.682 4.566 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 17 0.743 3.899 -7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.851 3.877 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.882 5.327 -7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.917 4.062 -9.465 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.869 2.612 -8.482 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.270 2.523 -8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.447 4.145 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.979 1.680 -10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.900 5.209 -10.452 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.016 5.346 -12.210 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.127 1.864 -12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.144 3.460 -13.504 1.00 0.00 H new ATOM 224 N PHE A 18 0.140 7.141 -7.169 1.00 0.00 N ATOM 225 CA PHE A 18 0.530 8.417 -7.758 1.00 0.00 C ATOM 226 C PHE A 18 1.997 8.723 -7.476 1.00 0.00 C ATOM 227 O PHE A 18 2.671 9.381 -8.269 1.00 0.00 O ATOM 228 CB PHE A 18 -0.352 9.544 -7.216 1.00 0.00 C ATOM 229 CG PHE A 18 0.317 10.888 -7.233 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.283 11.208 -6.292 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.022 11.833 -8.188 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.901 12.445 -6.306 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.593 13.071 -8.206 1.00 0.00 C ATOM 234 CZ PHE A 18 1.554 13.378 -7.263 1.00 0.00 C ATOM 0 H PHE A 18 -0.480 7.220 -6.363 1.00 0.00 H new ATOM 0 HA PHE A 18 0.395 8.346 -8.837 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.267 9.595 -7.806 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.645 9.306 -6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.556 10.483 -5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.775 11.600 -8.926 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.654 12.681 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.322 13.798 -8.957 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.033 14.346 -7.274 1.00 0.00 H new ATOM 244 N LEU A 19 2.487 8.240 -6.339 1.00 0.00 N ATOM 245 CA LEU A 19 3.876 8.461 -5.949 1.00 0.00 C ATOM 246 C LEU A 19 4.811 7.535 -6.718 1.00 0.00 C ATOM 247 O LEU A 19 6.018 7.766 -6.777 1.00 0.00 O ATOM 248 CB LEU A 19 4.044 8.241 -4.445 1.00 0.00 C ATOM 249 CG LEU A 19 3.233 9.165 -3.535 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.328 8.708 -2.088 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.710 10.603 -3.674 1.00 0.00 C ATOM 0 H LEU A 19 1.944 7.693 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 19 4.137 9.491 -6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.773 7.210 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.099 8.355 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 19 2.188 9.118 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.745 9.378 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.937 7.694 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.370 8.724 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.122 11.246 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.762 10.666 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.588 10.928 -4.707 1.00 0.00 H new ATOM 263 N ASN A 20 4.245 6.488 -7.309 1.00 0.00 N ATOM 264 CA ASN A 20 5.029 5.527 -8.077 1.00 0.00 C ATOM 265 C ASN A 20 5.328 6.062 -9.474 1.00 0.00 C ATOM 266 O ASN A 20 6.483 6.116 -9.894 1.00 0.00 O ATOM 267 CB ASN A 20 4.284 4.194 -8.177 1.00 0.00 C ATOM 268 CG ASN A 20 4.098 3.533 -6.827 1.00 0.00 C ATOM 269 OD1 ASN A 20 2.984 3.459 -6.307 1.00 0.00 O ATOM 270 ND2 ASN A 20 5.191 3.047 -6.250 1.00 0.00 N ATOM 0 H ASN A 20 3.247 6.283 -7.271 1.00 0.00 H new ATOM 0 HA ASN A 20 5.974 5.369 -7.558 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.309 4.360 -8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.835 3.522 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.127 2.590 -5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.094 3.130 -6.717 1.00 0.00 H new ATOM 277 N GLU A 21 4.278 6.458 -10.188 1.00 0.00 N ATOM 278 CA GLU A 21 4.429 6.989 -11.537 1.00 0.00 C ATOM 279 C GLU A 21 5.282 8.255 -11.532 1.00 0.00 C ATOM 280 O GLU A 21 6.207 8.396 -12.332 1.00 0.00 O ATOM 281 CB GLU A 21 3.059 7.286 -12.149 1.00 0.00 C ATOM 282 CG GLU A 21 3.089 7.451 -13.659 1.00 0.00 C ATOM 283 CD GLU A 21 1.755 7.130 -14.306 1.00 0.00 C ATOM 284 OE1 GLU A 21 1.370 5.942 -14.316 1.00 0.00 O ATOM 285 OE2 GLU A 21 1.097 8.067 -14.804 1.00 0.00 O ATOM 0 H GLU A 21 3.315 6.421 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 21 4.933 6.235 -12.142 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.374 6.478 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.660 8.196 -11.701 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.370 8.475 -13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.857 6.801 -14.077 1.00 0.00 H new ATOM 292 N ARG A 22 4.962 9.172 -10.625 1.00 0.00 N ATOM 293 CA ARG A 22 5.697 10.426 -10.516 1.00 0.00 C ATOM 294 C ARG A 22 7.158 10.172 -10.159 1.00 0.00 C ATOM 295 O ARG A 22 8.062 10.786 -10.728 1.00 0.00 O ATOM 296 CB ARG A 22 5.054 11.329 -9.461 1.00 0.00 C ATOM 297 CG ARG A 22 3.555 11.503 -9.641 1.00 0.00 C ATOM 298 CD ARG A 22 3.236 12.662 -10.571 1.00 0.00 C ATOM 299 NE ARG A 22 3.243 12.256 -11.974 1.00 0.00 N ATOM 300 CZ ARG A 22 3.151 13.110 -12.987 1.00 0.00 C ATOM 301 NH1 ARG A 22 3.046 14.412 -12.754 1.00 0.00 N ATOM 302 NH2 ARG A 22 3.165 12.664 -14.237 1.00 0.00 N ATOM 0 H ARG A 22 4.199 9.070 -9.956 1.00 0.00 H new ATOM 0 HA ARG A 22 5.659 10.924 -11.485 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.247 10.913 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.531 12.308 -9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.127 10.585 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.089 11.675 -8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.258 13.072 -10.317 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.965 13.459 -10.421 1.00 0.00 H new ATOM 0 HE ARG A 22 3.323 11.262 -12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.036 14.759 -11.795 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.976 15.066 -13.534 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.246 11.664 -14.421 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.094 13.321 -15.014 1.00 0.00 H new ATOM 316 N ARG A 23 7.382 9.264 -9.216 1.00 0.00 N ATOM 317 CA ARG A 23 8.734 8.929 -8.783 1.00 0.00 C ATOM 318 C ARG A 23 9.700 8.937 -9.963 1.00 0.00 C ATOM 319 O ARG A 23 10.815 9.450 -9.861 1.00 0.00 O ATOM 320 CB ARG A 23 8.750 7.557 -8.105 1.00 0.00 C ATOM 321 CG ARG A 23 10.148 7.057 -7.777 1.00 0.00 C ATOM 322 CD ARG A 23 10.766 6.319 -8.954 1.00 0.00 C ATOM 323 NE ARG A 23 11.844 5.427 -8.536 1.00 0.00 N ATOM 324 CZ ARG A 23 12.680 4.839 -9.382 1.00 0.00 C ATOM 325 NH1 ARG A 23 12.564 5.046 -10.686 1.00 0.00 N ATOM 326 NH2 ARG A 23 13.637 4.040 -8.925 1.00 0.00 N ATOM 0 H ARG A 23 6.645 8.747 -8.737 1.00 0.00 H new ATOM 0 HA ARG A 23 9.057 9.684 -8.067 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.166 7.608 -7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.258 6.834 -8.755 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.782 7.900 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.105 6.394 -6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.995 5.742 -9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.152 7.042 -9.673 1.00 0.00 H new ATOM 0 HE ARG A 23 11.961 5.246 -7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.830 5.659 -11.042 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.208 4.592 -11.334 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.730 3.878 -7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.279 3.589 -9.577 1.00 0.00 H new ATOM 340 N GLU A 24 9.267 8.362 -11.081 1.00 0.00 N ATOM 341 CA GLU A 24 10.095 8.303 -12.279 1.00 0.00 C ATOM 342 C GLU A 24 10.348 9.701 -12.836 1.00 0.00 C ATOM 343 O GLU A 24 11.484 10.060 -13.143 1.00 0.00 O ATOM 344 CB GLU A 24 9.427 7.431 -13.344 1.00 0.00 C ATOM 345 CG GLU A 24 10.067 7.550 -14.718 1.00 0.00 C ATOM 346 CD GLU A 24 9.912 6.288 -15.545 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.774 5.791 -15.662 1.00 0.00 O ATOM 348 OE2 GLU A 24 10.932 5.800 -16.076 1.00 0.00 O ATOM 0 H GLU A 24 8.348 7.931 -11.181 1.00 0.00 H new ATOM 0 HA GLU A 24 11.053 7.861 -12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.464 6.390 -13.024 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.375 7.705 -13.418 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.618 8.387 -15.252 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.127 7.776 -14.603 1.00 0.00 H new ATOM 355 N GLN A 25 9.281 10.482 -12.963 1.00 0.00 N ATOM 356 CA GLN A 25 9.387 11.841 -13.484 1.00 0.00 C ATOM 357 C GLN A 25 10.438 12.637 -12.718 1.00 0.00 C ATOM 358 O GLN A 25 11.265 13.325 -13.316 1.00 0.00 O ATOM 359 CB GLN A 25 8.034 12.548 -13.401 1.00 0.00 C ATOM 360 CG GLN A 25 7.003 12.006 -14.379 1.00 0.00 C ATOM 361 CD GLN A 25 7.317 12.367 -15.818 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.959 13.383 -16.090 1.00 0.00 O ATOM 363 NE2 GLN A 25 6.864 11.536 -16.749 1.00 0.00 N ATOM 0 H GLN A 25 8.334 10.198 -12.713 1.00 0.00 H new ATOM 0 HA GLN A 25 9.694 11.780 -14.528 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.646 12.453 -12.387 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.177 13.612 -13.589 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.952 10.921 -14.283 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.019 12.396 -14.117 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.336 10.706 -16.479 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.044 11.728 -17.735 1.00 0.00 H new ATOM 372 N ILE A 26 10.399 12.538 -11.394 1.00 0.00 N ATOM 373 CA ILE A 26 11.349 13.248 -10.547 1.00 0.00 C ATOM 374 C ILE A 26 12.776 12.775 -10.805 1.00 0.00 C ATOM 375 O ILE A 26 13.635 13.557 -11.215 1.00 0.00 O ATOM 376 CB ILE A 26 11.020 13.063 -9.055 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.564 13.441 -8.780 1.00 0.00 C ATOM 378 CG2 ILE A 26 11.960 13.898 -8.197 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.234 14.874 -9.137 1.00 0.00 C ATOM 0 H ILE A 26 9.720 11.973 -10.884 1.00 0.00 H new ATOM 0 HA ILE A 26 11.268 14.305 -10.800 1.00 0.00 H new ATOM 0 HB ILE A 26 11.158 12.013 -8.796 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.911 12.775 -9.344 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.348 13.279 -7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.714 13.756 -7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.989 13.586 -8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.851 14.951 -8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.185 15.072 -8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.861 15.548 -8.554 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.417 15.036 -10.199 1.00 0.00 H new ATOM 391 N ARG A 27 13.021 11.492 -10.562 1.00 0.00 N ATOM 392 CA ARG A 27 14.344 10.915 -10.768 1.00 0.00 C ATOM 393 C ARG A 27 15.035 11.554 -11.968 1.00 0.00 C ATOM 394 O ARG A 27 16.196 11.958 -11.888 1.00 0.00 O ATOM 395 CB ARG A 27 14.236 9.402 -10.973 1.00 0.00 C ATOM 396 CG ARG A 27 14.007 8.628 -9.687 1.00 0.00 C ATOM 397 CD ARG A 27 15.320 8.299 -8.992 1.00 0.00 C ATOM 398 NE ARG A 27 16.116 7.340 -9.753 1.00 0.00 N ATOM 399 CZ ARG A 27 17.342 6.965 -9.408 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.911 7.467 -8.320 1.00 0.00 N ATOM 401 NH2 ARG A 27 18.004 6.088 -10.152 1.00 0.00 N ATOM 0 H ARG A 27 12.321 10.832 -10.222 1.00 0.00 H new ATOM 0 HA ARG A 27 14.943 11.113 -9.879 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.417 9.195 -11.662 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.150 9.042 -11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.376 9.212 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.470 7.706 -9.907 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.894 9.215 -8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.114 7.894 -8.001 1.00 0.00 H new ATOM 0 HE ARG A 27 15.708 6.936 -10.596 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.407 8.143 -7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.853 7.177 -8.057 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.571 5.701 -10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.946 5.801 -9.885 1.00 0.00 H new ATOM 415 N THR A 28 14.314 11.643 -13.082 1.00 0.00 N ATOM 416 CA THR A 28 14.858 12.231 -14.299 1.00 0.00 C ATOM 417 C THR A 28 15.376 13.642 -14.045 1.00 0.00 C ATOM 418 O THR A 28 16.453 14.012 -14.511 1.00 0.00 O ATOM 419 CB THR A 28 13.803 12.278 -15.421 1.00 0.00 C ATOM 420 OG1 THR A 28 13.298 10.962 -15.673 1.00 0.00 O ATOM 421 CG2 THR A 28 14.397 12.852 -16.698 1.00 0.00 C ATOM 0 H THR A 28 13.352 11.315 -13.166 1.00 0.00 H new ATOM 0 HA THR A 28 15.685 11.595 -14.614 1.00 0.00 H new ATOM 0 HB THR A 28 12.987 12.924 -15.096 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.709 10.691 -14.938 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.634 12.875 -17.476 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.755 13.864 -16.510 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.229 12.228 -17.025 1.00 0.00 H new ATOM 429 N ARG A 29 14.601 14.426 -13.301 1.00 0.00 N ATOM 430 CA ARG A 29 14.982 15.797 -12.985 1.00 0.00 C ATOM 431 C ARG A 29 16.028 15.829 -11.877 1.00 0.00 C ATOM 432 O ARG A 29 17.111 16.391 -12.047 1.00 0.00 O ATOM 433 CB ARG A 29 13.753 16.606 -12.565 1.00 0.00 C ATOM 434 CG ARG A 29 13.022 17.254 -13.729 1.00 0.00 C ATOM 435 CD ARG A 29 11.540 17.424 -13.433 1.00 0.00 C ATOM 436 NE ARG A 29 10.905 18.374 -14.341 1.00 0.00 N ATOM 437 CZ ARG A 29 10.656 18.115 -15.620 1.00 0.00 C ATOM 438 NH1 ARG A 29 10.986 16.939 -16.138 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.074 19.032 -16.384 1.00 0.00 N ATOM 0 H ARG A 29 13.707 14.135 -12.907 1.00 0.00 H new ATOM 0 HA ARG A 29 15.414 16.243 -13.881 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.063 15.952 -12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.062 17.382 -11.864 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.465 18.227 -13.942 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.148 16.644 -14.624 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.042 16.458 -13.513 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.413 17.764 -12.405 1.00 0.00 H new ATOM 0 HE ARG A 29 10.638 19.287 -13.973 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.432 16.232 -15.554 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.794 16.742 -17.120 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.817 19.937 -15.989 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.884 18.832 -17.366 1.00 0.00 H new ATOM 453 N HIS A 30 15.699 15.223 -10.740 1.00 0.00 N ATOM 454 CA HIS A 30 16.611 15.182 -9.602 1.00 0.00 C ATOM 455 C HIS A 30 17.180 13.779 -9.413 1.00 0.00 C ATOM 456 O HIS A 30 16.785 13.038 -8.514 1.00 0.00 O ATOM 457 CB HIS A 30 15.892 15.629 -8.329 1.00 0.00 C ATOM 458 CG HIS A 30 15.180 16.938 -8.472 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.776 18.152 -8.204 1.00 0.00 N ATOM 460 CD2 HIS A 30 13.913 17.219 -8.859 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.906 19.124 -8.418 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.768 18.585 -8.816 1.00 0.00 N ATOM 0 H HIS A 30 14.807 14.754 -10.582 1.00 0.00 H new ATOM 0 HA HIS A 30 17.436 15.866 -9.803 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.172 14.863 -8.040 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.618 15.706 -7.520 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.158 16.503 -9.148 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.094 20.180 -8.289 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.919 19.099 -9.053 1.00 0.00 H new ATOM 471 N PRO A 31 18.132 13.404 -10.282 1.00 0.00 N ATOM 472 CA PRO A 31 18.777 12.088 -10.231 1.00 0.00 C ATOM 473 C PRO A 31 19.685 11.935 -9.017 1.00 0.00 C ATOM 474 O PRO A 31 20.274 10.876 -8.801 1.00 0.00 O ATOM 475 CB PRO A 31 19.596 12.046 -11.523 1.00 0.00 C ATOM 476 CG PRO A 31 19.860 13.474 -11.853 1.00 0.00 C ATOM 477 CD PRO A 31 18.652 14.237 -11.380 1.00 0.00 C ATOM 0 HA PRO A 31 18.051 11.280 -10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.525 11.494 -11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.047 11.550 -12.323 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.764 13.828 -11.358 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.010 13.606 -12.924 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.917 15.236 -11.035 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.917 14.359 -12.175 1.00 0.00 H new ATOM 485 N ASP A 32 19.795 12.998 -8.228 1.00 0.00 N ATOM 486 CA ASP A 32 20.632 12.980 -7.034 1.00 0.00 C ATOM 487 C ASP A 32 19.787 12.779 -5.780 1.00 0.00 C ATOM 488 O ASP A 32 20.282 12.316 -4.752 1.00 0.00 O ATOM 489 CB ASP A 32 21.428 14.281 -6.923 1.00 0.00 C ATOM 490 CG ASP A 32 22.185 14.607 -8.196 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.234 13.975 -8.440 1.00 0.00 O ATOM 492 OD2 ASP A 32 21.728 15.493 -8.948 1.00 0.00 O ATOM 0 H ASP A 32 19.315 13.883 -8.394 1.00 0.00 H new ATOM 0 HA ASP A 32 21.326 12.144 -7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.749 15.100 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.132 14.203 -6.095 1.00 0.00 H new ATOM 497 N LEU A 33 18.509 13.129 -5.872 1.00 0.00 N ATOM 498 CA LEU A 33 17.593 12.988 -4.746 1.00 0.00 C ATOM 499 C LEU A 33 17.331 11.517 -4.437 1.00 0.00 C ATOM 500 O LEU A 33 16.920 10.741 -5.300 1.00 0.00 O ATOM 501 CB LEU A 33 16.274 13.702 -5.042 1.00 0.00 C ATOM 502 CG LEU A 33 16.242 15.203 -4.751 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.809 15.710 -4.715 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.950 15.507 -3.439 1.00 0.00 C ATOM 0 H LEU A 33 18.083 13.513 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 33 18.058 13.446 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.031 13.551 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.486 13.223 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 33 16.768 15.720 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.807 16.780 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.334 15.527 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.258 15.187 -3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.917 16.580 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.452 14.978 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.988 15.181 -3.502 1.00 0.00 H new ATOM 516 N PRO A 34 17.570 11.124 -3.178 1.00 0.00 N ATOM 517 CA PRO A 34 17.364 9.745 -2.726 1.00 0.00 C ATOM 518 C PRO A 34 15.887 9.369 -2.667 1.00 0.00 C ATOM 519 O PRO A 34 15.041 10.043 -3.253 1.00 0.00 O ATOM 520 CB PRO A 34 17.976 9.736 -1.322 1.00 0.00 C ATOM 521 CG PRO A 34 17.892 11.151 -0.864 1.00 0.00 C ATOM 522 CD PRO A 34 18.060 11.996 -2.097 1.00 0.00 C ATOM 0 HA PRO A 34 17.814 9.022 -3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.428 9.071 -0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.008 9.387 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.934 11.349 -0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.669 11.371 -0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.484 12.919 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.101 12.280 -2.251 1.00 0.00 H new ATOM 530 N PHE A 35 15.585 8.288 -1.955 1.00 0.00 N ATOM 531 CA PHE A 35 14.210 7.822 -1.819 1.00 0.00 C ATOM 532 C PHE A 35 13.409 8.748 -0.908 1.00 0.00 C ATOM 533 O PHE A 35 12.394 9.322 -1.301 1.00 0.00 O ATOM 534 CB PHE A 35 14.185 6.396 -1.266 1.00 0.00 C ATOM 535 CG PHE A 35 12.990 6.109 -0.403 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.732 6.563 -0.765 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.124 5.385 0.771 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.630 6.301 0.028 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.027 5.120 1.568 1.00 0.00 C ATOM 540 CZ PHE A 35 10.779 5.578 1.196 1.00 0.00 C ATOM 0 H PHE A 35 16.274 7.719 -1.464 1.00 0.00 H new ATOM 0 HA PHE A 35 13.751 7.829 -2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.200 5.692 -2.098 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.092 6.224 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.611 7.128 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.098 5.023 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.655 6.661 -0.265 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.146 4.555 2.481 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.920 5.371 1.817 1.00 0.00 H new ATOM 550 N PRO A 36 13.876 8.896 0.341 1.00 0.00 N ATOM 551 CA PRO A 36 13.220 9.750 1.335 1.00 0.00 C ATOM 552 C PRO A 36 13.353 11.233 1.005 1.00 0.00 C ATOM 553 O PRO A 36 13.189 12.088 1.873 1.00 0.00 O ATOM 554 CB PRO A 36 13.965 9.422 2.632 1.00 0.00 C ATOM 555 CG PRO A 36 15.304 8.945 2.189 1.00 0.00 C ATOM 556 CD PRO A 36 15.081 8.242 0.878 1.00 0.00 C ATOM 0 HA PRO A 36 12.147 9.566 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.049 10.300 3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.442 8.657 3.206 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.996 9.779 2.072 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.741 8.269 2.925 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.934 8.359 0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.929 7.172 1.017 1.00 0.00 H new ATOM 564 N GLU A 37 13.652 11.529 -0.257 1.00 0.00 N ATOM 565 CA GLU A 37 13.808 12.908 -0.701 1.00 0.00 C ATOM 566 C GLU A 37 12.909 13.199 -1.900 1.00 0.00 C ATOM 567 O GLU A 37 12.530 14.346 -2.141 1.00 0.00 O ATOM 568 CB GLU A 37 15.267 13.190 -1.063 1.00 0.00 C ATOM 569 CG GLU A 37 16.140 13.518 0.137 1.00 0.00 C ATOM 570 CD GLU A 37 16.000 14.961 0.583 1.00 0.00 C ATOM 571 OE1 GLU A 37 16.696 15.827 0.013 1.00 0.00 O ATOM 572 OE2 GLU A 37 15.195 15.223 1.501 1.00 0.00 O ATOM 0 H GLU A 37 13.791 10.832 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 37 13.513 13.562 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.680 12.321 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.304 14.022 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.877 12.859 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.182 13.318 -0.111 1.00 0.00 H new ATOM 579 N ILE A 38 12.575 12.153 -2.648 1.00 0.00 N ATOM 580 CA ILE A 38 11.721 12.296 -3.820 1.00 0.00 C ATOM 581 C ILE A 38 10.247 12.198 -3.444 1.00 0.00 C ATOM 582 O ILE A 38 9.420 12.974 -3.922 1.00 0.00 O ATOM 583 CB ILE A 38 12.040 11.225 -4.882 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.464 11.407 -5.410 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.035 11.294 -6.022 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.963 10.233 -6.221 1.00 0.00 C ATOM 0 H ILE A 38 12.883 11.198 -2.463 1.00 0.00 H new ATOM 0 HA ILE A 38 11.921 13.283 -4.237 1.00 0.00 H new ATOM 0 HB ILE A 38 11.967 10.242 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.502 12.306 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.137 11.569 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.273 10.532 -6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.031 11.121 -5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.079 12.279 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.979 10.432 -6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.958 9.335 -5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.313 10.084 -7.083 1.00 0.00 H new ATOM 598 N THR A 39 9.925 11.239 -2.580 1.00 0.00 N ATOM 599 CA THR A 39 8.551 11.040 -2.137 1.00 0.00 C ATOM 600 C THR A 39 8.031 12.264 -1.392 1.00 0.00 C ATOM 601 O THR A 39 6.887 12.680 -1.581 1.00 0.00 O ATOM 602 CB THR A 39 8.428 9.805 -1.224 1.00 0.00 C ATOM 603 OG1 THR A 39 8.583 8.609 -1.996 1.00 0.00 O ATOM 604 CG2 THR A 39 7.082 9.788 -0.516 1.00 0.00 C ATOM 0 H THR A 39 10.598 10.589 -2.174 1.00 0.00 H new ATOM 0 HA THR A 39 7.950 10.881 -3.032 1.00 0.00 H new ATOM 0 HB THR A 39 9.215 9.856 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.505 7.828 -1.409 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.018 8.907 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.980 10.686 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.282 9.758 -1.256 1.00 0.00 H new ATOM 612 N LYS A 40 8.877 12.837 -0.543 1.00 0.00 N ATOM 613 CA LYS A 40 8.504 14.015 0.231 1.00 0.00 C ATOM 614 C LYS A 40 8.077 15.156 -0.686 1.00 0.00 C ATOM 615 O LYS A 40 7.195 15.943 -0.344 1.00 0.00 O ATOM 616 CB LYS A 40 9.673 14.464 1.110 1.00 0.00 C ATOM 617 CG LYS A 40 10.853 15.009 0.322 1.00 0.00 C ATOM 618 CD LYS A 40 11.831 15.748 1.220 1.00 0.00 C ATOM 619 CE LYS A 40 11.378 17.177 1.478 1.00 0.00 C ATOM 620 NZ LYS A 40 11.538 18.036 0.272 1.00 0.00 N ATOM 0 H LYS A 40 9.826 12.504 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 40 7.660 13.748 0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.323 15.231 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.008 13.620 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.367 14.189 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.492 15.682 -0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.928 15.219 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.818 15.756 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.333 17.176 1.787 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.954 17.597 2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.499 19.037 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.455 17.837 -0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.772 17.835 -0.402 1.00 0.00 H new ATOM 634 N MET A 41 8.706 15.238 -1.854 1.00 0.00 N ATOM 635 CA MET A 41 8.388 16.282 -2.821 1.00 0.00 C ATOM 636 C MET A 41 7.032 16.025 -3.472 1.00 0.00 C ATOM 637 O MET A 41 6.184 16.916 -3.537 1.00 0.00 O ATOM 638 CB MET A 41 9.475 16.361 -3.895 1.00 0.00 C ATOM 639 CG MET A 41 10.772 16.981 -3.401 1.00 0.00 C ATOM 640 SD MET A 41 11.748 17.703 -4.734 1.00 0.00 S ATOM 641 CE MET A 41 11.972 16.280 -5.799 1.00 0.00 C ATOM 0 H MET A 41 9.438 14.594 -2.153 1.00 0.00 H new ATOM 0 HA MET A 41 8.342 17.233 -2.290 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.680 15.357 -4.267 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.101 16.943 -4.737 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.544 17.751 -2.664 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.364 16.219 -2.894 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.854 16.428 -6.423 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.104 15.386 -5.189 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.094 16.159 -6.434 1.00 0.00 H new ATOM 651 N LEU A 42 6.835 14.803 -3.954 1.00 0.00 N ATOM 652 CA LEU A 42 5.581 14.429 -4.600 1.00 0.00 C ATOM 653 C LEU A 42 4.422 14.474 -3.610 1.00 0.00 C ATOM 654 O LEU A 42 3.301 14.830 -3.967 1.00 0.00 O ATOM 655 CB LEU A 42 5.695 13.028 -5.205 1.00 0.00 C ATOM 656 CG LEU A 42 6.854 12.810 -6.180 1.00 0.00 C ATOM 657 CD1 LEU A 42 7.035 11.328 -6.471 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.619 13.584 -7.469 1.00 0.00 C ATOM 0 H LEU A 42 7.527 14.055 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 42 5.383 15.148 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.791 12.309 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.763 12.801 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 42 7.768 13.183 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.864 11.192 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.250 10.798 -5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.122 10.930 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.453 13.417 -8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.695 13.242 -7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.540 14.648 -7.245 1.00 0.00 H new ATOM 670 N GLY A 43 4.703 14.112 -2.362 1.00 0.00 N ATOM 671 CA GLY A 43 3.676 14.121 -1.338 1.00 0.00 C ATOM 672 C GLY A 43 2.922 15.435 -1.284 1.00 0.00 C ATOM 673 O GLY A 43 1.698 15.453 -1.153 1.00 0.00 O ATOM 0 H GLY A 43 5.624 13.813 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.973 13.310 -1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.133 13.928 -0.368 1.00 0.00 H new ATOM 677 N ALA A 44 3.655 16.541 -1.381 1.00 0.00 N ATOM 678 CA ALA A 44 3.048 17.865 -1.343 1.00 0.00 C ATOM 679 C ALA A 44 2.115 18.077 -2.530 1.00 0.00 C ATOM 680 O ALA A 44 1.068 18.711 -2.403 1.00 0.00 O ATOM 681 CB ALA A 44 4.126 18.939 -1.319 1.00 0.00 C ATOM 0 H ALA A 44 4.670 16.545 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 44 2.455 17.939 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.658 19.923 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.750 18.808 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.742 18.856 -2.214 1.00 0.00 H new ATOM 687 N GLU A 45 2.502 17.540 -3.683 1.00 0.00 N ATOM 688 CA GLU A 45 1.698 17.672 -4.893 1.00 0.00 C ATOM 689 C GLU A 45 0.335 17.009 -4.716 1.00 0.00 C ATOM 690 O GLU A 45 -0.687 17.542 -5.147 1.00 0.00 O ATOM 691 CB GLU A 45 2.427 17.052 -6.087 1.00 0.00 C ATOM 692 CG GLU A 45 3.707 17.780 -6.464 1.00 0.00 C ATOM 693 CD GLU A 45 3.468 18.900 -7.457 1.00 0.00 C ATOM 694 OE1 GLU A 45 2.345 19.444 -7.481 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.406 19.233 -8.212 1.00 0.00 O ATOM 0 H GLU A 45 3.365 17.011 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 45 1.544 18.735 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.664 16.013 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.757 17.044 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.167 18.189 -5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.415 17.068 -6.888 1.00 0.00 H new ATOM 702 N TRP A 46 0.329 15.843 -4.080 1.00 0.00 N ATOM 703 CA TRP A 46 -0.909 15.107 -3.847 1.00 0.00 C ATOM 704 C TRP A 46 -1.974 16.012 -3.238 1.00 0.00 C ATOM 705 O TRP A 46 -3.158 15.892 -3.554 1.00 0.00 O ATOM 706 CB TRP A 46 -0.649 13.913 -2.927 1.00 0.00 C ATOM 707 CG TRP A 46 -1.903 13.227 -2.476 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.394 13.170 -1.202 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.824 12.500 -3.295 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.564 12.452 -1.181 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.851 12.029 -2.453 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.883 12.201 -4.659 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.920 11.277 -2.930 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.945 11.453 -5.132 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.952 10.999 -4.270 1.00 0.00 C ATOM 0 H TRP A 46 1.166 15.387 -3.717 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.274 14.744 -4.808 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.017 13.194 -3.447 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.094 14.252 -2.052 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.930 13.623 -0.339 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.129 12.264 -0.353 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.113 12.548 -5.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.697 10.925 -2.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.999 11.214 -6.184 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.770 10.418 -4.671 1.00 0.00 H new ATOM 726 N SER A 47 -1.546 16.917 -2.363 1.00 0.00 N ATOM 727 CA SER A 47 -2.465 17.840 -1.708 1.00 0.00 C ATOM 728 C SER A 47 -2.779 19.028 -2.611 1.00 0.00 C ATOM 729 O SER A 47 -3.816 19.677 -2.468 1.00 0.00 O ATOM 730 CB SER A 47 -1.870 18.333 -0.387 1.00 0.00 C ATOM 731 OG SER A 47 -2.813 19.101 0.341 1.00 0.00 O ATOM 0 H SER A 47 -0.569 17.030 -2.092 1.00 0.00 H new ATOM 0 HA SER A 47 -3.393 17.306 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.550 17.481 0.212 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.983 18.934 -0.586 1.00 0.00 H new ATOM 0 HG SER A 47 -2.410 19.403 1.182 1.00 0.00 H new ATOM 737 N LYS A 48 -1.876 19.308 -3.545 1.00 0.00 N ATOM 738 CA LYS A 48 -2.054 20.417 -4.475 1.00 0.00 C ATOM 739 C LYS A 48 -2.675 19.936 -5.782 1.00 0.00 C ATOM 740 O LYS A 48 -2.745 20.682 -6.760 1.00 0.00 O ATOM 741 CB LYS A 48 -0.711 21.095 -4.756 1.00 0.00 C ATOM 742 CG LYS A 48 -0.113 21.786 -3.543 1.00 0.00 C ATOM 743 CD LYS A 48 1.174 22.513 -3.893 1.00 0.00 C ATOM 744 CE LYS A 48 2.345 21.549 -4.010 1.00 0.00 C ATOM 745 NZ LYS A 48 3.607 22.252 -4.372 1.00 0.00 N ATOM 0 H LYS A 48 -1.013 18.781 -3.678 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.729 21.139 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.006 20.349 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.843 21.827 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.833 22.495 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.084 21.049 -2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.046 23.048 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.391 23.259 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.480 21.025 -3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.120 20.794 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.381 21.561 -4.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.487 22.732 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.835 22.955 -3.640 1.00 0.00 H new ATOM 759 N LEU A 49 -3.128 18.686 -5.792 1.00 0.00 N ATOM 760 CA LEU A 49 -3.745 18.106 -6.980 1.00 0.00 C ATOM 761 C LEU A 49 -5.119 18.720 -7.233 1.00 0.00 C ATOM 762 O LEU A 49 -5.607 19.522 -6.438 1.00 0.00 O ATOM 763 CB LEU A 49 -3.872 16.590 -6.824 1.00 0.00 C ATOM 764 CG LEU A 49 -2.686 15.762 -7.320 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.880 14.293 -6.979 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.500 15.944 -8.819 1.00 0.00 C ATOM 0 H LEU A 49 -3.079 18.056 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.106 18.324 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.030 16.366 -5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.765 16.264 -7.357 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.785 16.114 -6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.026 13.720 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.963 14.178 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.790 13.926 -7.454 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.652 15.348 -9.155 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.401 15.619 -9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.314 16.996 -9.038 1.00 0.00 H new ATOM 778 N GLN A 50 -5.737 18.334 -8.345 1.00 0.00 N ATOM 779 CA GLN A 50 -7.055 18.846 -8.702 1.00 0.00 C ATOM 780 C GLN A 50 -8.156 17.948 -8.148 1.00 0.00 C ATOM 781 O GLN A 50 -7.935 16.778 -7.831 1.00 0.00 O ATOM 782 CB GLN A 50 -7.188 18.956 -10.223 1.00 0.00 C ATOM 783 CG GLN A 50 -6.653 20.262 -10.786 1.00 0.00 C ATOM 784 CD GLN A 50 -7.109 21.471 -9.992 1.00 0.00 C ATOM 785 OE1 GLN A 50 -6.471 21.860 -9.013 1.00 0.00 O ATOM 786 NE2 GLN A 50 -8.215 22.073 -10.411 1.00 0.00 N ATOM 0 H GLN A 50 -5.347 17.669 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.163 19.837 -8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.657 18.125 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.238 18.855 -10.496 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.564 20.229 -10.797 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.979 20.368 -11.821 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.712 21.716 -11.227 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.568 22.892 -9.917 1.00 0.00 H new ATOM 795 N PRO A 51 -9.369 18.505 -8.025 1.00 0.00 N ATOM 796 CA PRO A 51 -10.529 17.772 -7.508 1.00 0.00 C ATOM 797 C PRO A 51 -11.012 16.697 -8.475 1.00 0.00 C ATOM 798 O PRO A 51 -12.002 16.012 -8.214 1.00 0.00 O ATOM 799 CB PRO A 51 -11.593 18.860 -7.345 1.00 0.00 C ATOM 800 CG PRO A 51 -11.207 19.918 -8.320 1.00 0.00 C ATOM 801 CD PRO A 51 -9.704 19.893 -8.383 1.00 0.00 C ATOM 0 HA PRO A 51 -10.297 17.242 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.590 18.473 -7.555 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.610 19.248 -6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.642 19.723 -9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.568 20.895 -7.999 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.339 20.150 -9.377 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.261 20.605 -7.687 1.00 0.00 H new ATOM 809 N ALA A 52 -10.307 16.551 -9.592 1.00 0.00 N ATOM 810 CA ALA A 52 -10.663 15.556 -10.596 1.00 0.00 C ATOM 811 C ALA A 52 -9.600 14.466 -10.691 1.00 0.00 C ATOM 812 O ALA A 52 -9.915 13.299 -10.919 1.00 0.00 O ATOM 813 CB ALA A 52 -10.863 16.221 -11.950 1.00 0.00 C ATOM 0 H ALA A 52 -9.486 17.109 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.599 15.088 -10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.128 15.466 -12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.664 16.957 -11.879 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.940 16.717 -12.252 1.00 0.00 H new ATOM 819 N GLU A 53 -8.342 14.857 -10.515 1.00 0.00 N ATOM 820 CA GLU A 53 -7.233 13.913 -10.583 1.00 0.00 C ATOM 821 C GLU A 53 -7.080 13.158 -9.266 1.00 0.00 C ATOM 822 O GLU A 53 -7.058 11.927 -9.242 1.00 0.00 O ATOM 823 CB GLU A 53 -5.931 14.644 -10.918 1.00 0.00 C ATOM 824 CG GLU A 53 -6.000 15.453 -12.203 1.00 0.00 C ATOM 825 CD GLU A 53 -6.469 14.628 -13.386 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.884 13.551 -13.627 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.420 15.058 -14.071 1.00 0.00 O ATOM 0 H GLU A 53 -8.066 15.820 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.450 13.193 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.675 15.309 -10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.125 13.914 -11.001 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.676 16.296 -12.062 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.016 15.867 -12.421 1.00 0.00 H new ATOM 834 N LYS A 54 -6.976 13.904 -8.172 1.00 0.00 N ATOM 835 CA LYS A 54 -6.826 13.307 -6.850 1.00 0.00 C ATOM 836 C LYS A 54 -7.889 12.239 -6.611 1.00 0.00 C ATOM 837 O LYS A 54 -7.592 11.160 -6.099 1.00 0.00 O ATOM 838 CB LYS A 54 -6.920 14.385 -5.768 1.00 0.00 C ATOM 839 CG LYS A 54 -6.341 13.956 -4.431 1.00 0.00 C ATOM 840 CD LYS A 54 -6.844 14.835 -3.298 1.00 0.00 C ATOM 841 CE LYS A 54 -6.235 14.429 -1.964 1.00 0.00 C ATOM 842 NZ LYS A 54 -7.052 13.391 -1.275 1.00 0.00 N ATOM 0 H LYS A 54 -6.993 14.924 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.845 12.835 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.398 15.278 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.966 14.660 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.609 12.918 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.253 14.002 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.600 15.876 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.930 14.768 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.226 14.049 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.146 15.306 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.029 13.556 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.035 13.443 -1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.664 12.449 -1.483 1.00 0.00 H new ATOM 856 N GLN A 55 -9.126 12.547 -6.987 1.00 0.00 N ATOM 857 CA GLN A 55 -10.231 11.612 -6.815 1.00 0.00 C ATOM 858 C GLN A 55 -10.037 10.373 -7.684 1.00 0.00 C ATOM 859 O GLN A 55 -10.038 9.248 -7.186 1.00 0.00 O ATOM 860 CB GLN A 55 -11.559 12.289 -7.160 1.00 0.00 C ATOM 861 CG GLN A 55 -12.776 11.434 -6.851 1.00 0.00 C ATOM 862 CD GLN A 55 -12.669 10.727 -5.514 1.00 0.00 C ATOM 863 OE1 GLN A 55 -11.916 9.764 -5.366 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.423 11.203 -4.530 1.00 0.00 N ATOM 0 H GLN A 55 -9.388 13.436 -7.412 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.251 11.301 -5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.634 13.226 -6.608 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.563 12.543 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.667 12.062 -6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.905 10.693 -7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.033 12.003 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.392 10.768 -3.608 1.00 0.00 H new ATOM 873 N ARG A 56 -9.872 10.590 -8.985 1.00 0.00 N ATOM 874 CA ARG A 56 -9.680 9.490 -9.923 1.00 0.00 C ATOM 875 C ARG A 56 -8.668 8.485 -9.382 1.00 0.00 C ATOM 876 O ARG A 56 -8.893 7.275 -9.429 1.00 0.00 O ATOM 877 CB ARG A 56 -9.210 10.025 -11.277 1.00 0.00 C ATOM 878 CG ARG A 56 -8.890 8.933 -12.285 1.00 0.00 C ATOM 879 CD ARG A 56 -7.827 9.382 -13.275 1.00 0.00 C ATOM 880 NE ARG A 56 -7.662 8.431 -14.371 1.00 0.00 N ATOM 881 CZ ARG A 56 -8.552 8.270 -15.345 1.00 0.00 C ATOM 882 NH1 ARG A 56 -9.663 8.994 -15.357 1.00 0.00 N ATOM 883 NH2 ARG A 56 -8.331 7.384 -16.308 1.00 0.00 N ATOM 0 H ARG A 56 -9.867 11.516 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.636 8.983 -10.052 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.982 10.674 -11.690 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.323 10.641 -11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.547 8.041 -11.760 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.796 8.657 -12.823 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.097 10.357 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.877 9.505 -12.755 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.818 7.859 -14.390 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.836 9.676 -14.618 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.345 8.869 -16.105 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.477 6.826 -16.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.015 7.261 -17.055 1.00 0.00 H new ATOM 897 N TYR A 57 -7.552 8.993 -8.870 1.00 0.00 N ATOM 898 CA TYR A 57 -6.504 8.140 -8.323 1.00 0.00 C ATOM 899 C TYR A 57 -7.073 7.177 -7.284 1.00 0.00 C ATOM 900 O TYR A 57 -6.756 5.987 -7.284 1.00 0.00 O ATOM 901 CB TYR A 57 -5.400 8.991 -7.694 1.00 0.00 C ATOM 902 CG TYR A 57 -4.404 9.528 -8.698 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.756 8.678 -9.586 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.113 10.884 -8.759 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.845 9.163 -10.504 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.204 11.379 -9.675 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.573 10.515 -10.545 1.00 0.00 C ATOM 908 OH TYR A 57 -1.667 11.003 -11.459 1.00 0.00 O ATOM 0 H TYR A 57 -7.350 9.992 -8.823 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.082 7.557 -9.141 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.855 9.827 -7.163 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.870 8.393 -6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.968 7.619 -9.558 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.605 11.564 -8.079 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.349 8.488 -11.186 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.989 12.437 -9.709 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.591 11.975 -11.357 1.00 0.00 H new ATOM 918 N LEU A 58 -7.914 7.701 -6.400 1.00 0.00 N ATOM 919 CA LEU A 58 -8.529 6.890 -5.355 1.00 0.00 C ATOM 920 C LEU A 58 -9.289 5.712 -5.957 1.00 0.00 C ATOM 921 O LEU A 58 -9.010 4.555 -5.643 1.00 0.00 O ATOM 922 CB LEU A 58 -9.474 7.743 -4.509 1.00 0.00 C ATOM 923 CG LEU A 58 -8.888 9.041 -3.949 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.963 9.849 -3.241 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.734 8.739 -3.004 1.00 0.00 C ATOM 0 H LEU A 58 -8.186 8.684 -6.386 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.735 6.499 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.346 7.993 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.828 7.138 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.506 9.634 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.528 10.769 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.757 10.095 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.376 9.264 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.329 9.673 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.092 8.126 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.954 8.201 -3.543 1.00 0.00 H new ATOM 937 N ASP A 59 -10.249 6.015 -6.823 1.00 0.00 N ATOM 938 CA ASP A 59 -11.049 4.982 -7.471 1.00 0.00 C ATOM 939 C ASP A 59 -10.159 4.011 -8.241 1.00 0.00 C ATOM 940 O ASP A 59 -10.239 2.798 -8.054 1.00 0.00 O ATOM 941 CB ASP A 59 -12.071 5.615 -8.415 1.00 0.00 C ATOM 942 CG ASP A 59 -13.046 4.600 -8.978 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.785 3.983 -8.183 1.00 0.00 O ATOM 944 OD2 ASP A 59 -13.071 4.422 -10.214 1.00 0.00 O ATOM 0 H ASP A 59 -10.493 6.968 -7.093 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.578 4.427 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.624 6.388 -7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.548 6.106 -9.236 1.00 0.00 H new ATOM 949 N GLU A 60 -9.312 4.555 -9.111 1.00 0.00 N ATOM 950 CA GLU A 60 -8.409 3.735 -9.911 1.00 0.00 C ATOM 951 C GLU A 60 -7.741 2.664 -9.053 1.00 0.00 C ATOM 952 O GLU A 60 -7.569 1.525 -9.487 1.00 0.00 O ATOM 953 CB GLU A 60 -7.343 4.610 -10.575 1.00 0.00 C ATOM 954 CG GLU A 60 -7.885 5.491 -11.689 1.00 0.00 C ATOM 955 CD GLU A 60 -8.442 4.687 -12.847 1.00 0.00 C ATOM 956 OE1 GLU A 60 -7.646 4.044 -13.562 1.00 0.00 O ATOM 957 OE2 GLU A 60 -9.676 4.703 -13.041 1.00 0.00 O ATOM 0 H GLU A 60 -9.233 5.558 -9.279 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.998 3.241 -10.684 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.880 5.241 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.559 3.969 -10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.667 6.136 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.090 6.142 -12.052 1.00 0.00 H new ATOM 964 N ALA A 61 -7.367 3.039 -7.834 1.00 0.00 N ATOM 965 CA ALA A 61 -6.720 2.111 -6.915 1.00 0.00 C ATOM 966 C ALA A 61 -7.725 1.119 -6.338 1.00 0.00 C ATOM 967 O ALA A 61 -7.367 -0.001 -5.977 1.00 0.00 O ATOM 968 CB ALA A 61 -6.028 2.875 -5.795 1.00 0.00 C ATOM 0 H ALA A 61 -7.501 3.979 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.972 1.548 -7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.549 2.170 -5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.275 3.539 -6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.764 3.463 -5.247 1.00 0.00 H new ATOM 974 N GLU A 62 -8.984 1.539 -6.255 1.00 0.00 N ATOM 975 CA GLU A 62 -10.039 0.687 -5.721 1.00 0.00 C ATOM 976 C GLU A 62 -10.395 -0.421 -6.707 1.00 0.00 C ATOM 977 O GLU A 62 -10.687 -1.550 -6.313 1.00 0.00 O ATOM 978 CB GLU A 62 -11.282 1.519 -5.399 1.00 0.00 C ATOM 979 CG GLU A 62 -11.097 2.459 -4.220 1.00 0.00 C ATOM 980 CD GLU A 62 -12.381 3.167 -3.831 1.00 0.00 C ATOM 981 OE1 GLU A 62 -13.197 3.451 -4.732 1.00 0.00 O ATOM 982 OE2 GLU A 62 -12.568 3.437 -2.627 1.00 0.00 O ATOM 0 H GLU A 62 -9.297 2.464 -6.551 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.671 0.227 -4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.556 2.102 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.114 0.847 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.724 1.895 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.338 3.201 -4.467 1.00 0.00 H new ATOM 989 N LYS A 63 -10.371 -0.089 -7.994 1.00 0.00 N ATOM 990 CA LYS A 63 -10.691 -1.054 -9.039 1.00 0.00 C ATOM 991 C LYS A 63 -9.549 -2.045 -9.234 1.00 0.00 C ATOM 992 O LYS A 63 -9.776 -3.218 -9.527 1.00 0.00 O ATOM 993 CB LYS A 63 -10.983 -0.332 -10.356 1.00 0.00 C ATOM 994 CG LYS A 63 -12.368 0.289 -10.416 1.00 0.00 C ATOM 995 CD LYS A 63 -13.435 -0.754 -10.702 1.00 0.00 C ATOM 996 CE LYS A 63 -13.421 -1.180 -12.162 1.00 0.00 C ATOM 997 NZ LYS A 63 -13.685 -0.035 -13.077 1.00 0.00 N ATOM 0 H LYS A 63 -10.133 0.841 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.578 -1.606 -8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.237 0.449 -10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.875 -1.038 -11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.587 0.785 -9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.391 1.056 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.274 -1.625 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.416 -0.352 -10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.454 -1.621 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.172 -1.953 -12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.396 -0.312 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.040 0.774 -12.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.804 0.234 -13.559 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.320 -1.566 -9.065 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.142 -2.410 -9.222 1.00 0.00 C ATOM 1013 C GLU A 64 -6.960 -3.320 -8.010 1.00 0.00 C ATOM 1014 O GLU A 64 -6.257 -4.329 -8.076 1.00 0.00 O ATOM 1015 CB GLU A 64 -5.892 -1.550 -9.420 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.698 -1.078 -10.851 1.00 0.00 C ATOM 1017 CD GLU A 64 -4.996 -2.108 -11.714 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -3.900 -2.562 -11.325 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -5.543 -2.460 -12.781 1.00 0.00 O ATOM 0 H GLU A 64 -8.115 -0.598 -8.819 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.288 -3.033 -10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.952 -0.681 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.016 -2.121 -9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.669 -0.845 -11.288 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.119 -0.155 -10.850 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.600 -2.956 -6.904 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.511 -3.738 -5.676 1.00 0.00 C ATOM 1028 C LYS A 65 -8.367 -4.997 -5.770 1.00 0.00 C ATOM 1029 O LYS A 65 -7.856 -6.112 -5.674 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.954 -2.896 -4.477 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.087 -3.691 -3.191 1.00 0.00 C ATOM 1032 CD LYS A 65 -7.801 -2.831 -1.971 1.00 0.00 C ATOM 1033 CE LYS A 65 -6.316 -2.803 -1.644 1.00 0.00 C ATOM 1034 NZ LYS A 65 -5.964 -1.659 -0.760 1.00 0.00 N ATOM 0 H LYS A 65 -8.186 -2.124 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.471 -4.035 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.235 -2.091 -4.324 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.912 -2.429 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.094 -4.103 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.398 -4.536 -3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.154 -1.815 -2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.356 -3.216 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.033 -3.737 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.742 -2.738 -2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.943 -1.676 -0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.210 -0.766 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.492 -1.735 0.133 1.00 0.00 H new ATOM 1048 N GLN A 66 -9.669 -4.810 -5.958 1.00 0.00 N ATOM 1049 CA GLN A 66 -10.594 -5.931 -6.065 1.00 0.00 C ATOM 1050 C GLN A 66 -10.082 -6.965 -7.063 1.00 0.00 C ATOM 1051 O GLN A 66 -10.337 -8.161 -6.916 1.00 0.00 O ATOM 1052 CB GLN A 66 -11.979 -5.439 -6.489 1.00 0.00 C ATOM 1053 CG GLN A 66 -11.955 -4.530 -7.708 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.105 -3.544 -7.722 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -13.799 -3.397 -8.729 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -13.312 -2.859 -6.603 1.00 0.00 N ATOM 0 H GLN A 66 -10.107 -3.892 -6.039 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.668 -6.403 -5.085 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.612 -6.300 -6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.436 -4.904 -5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.012 -3.983 -7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.992 -5.139 -8.611 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.712 -3.013 -5.792 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.071 -2.179 -6.554 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.360 -6.498 -8.076 1.00 0.00 N ATOM 1066 CA GLN A 67 -8.813 -7.383 -9.097 1.00 0.00 C ATOM 1067 C GLN A 67 -7.772 -8.325 -8.500 1.00 0.00 C ATOM 1068 O GLN A 67 -7.602 -9.452 -8.965 1.00 0.00 O ATOM 1069 CB GLN A 67 -8.191 -6.566 -10.229 1.00 0.00 C ATOM 1070 CG GLN A 67 -7.536 -7.417 -11.305 1.00 0.00 C ATOM 1071 CD GLN A 67 -6.417 -6.689 -12.026 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -6.368 -6.667 -13.256 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -5.513 -6.089 -11.261 1.00 0.00 N ATOM 0 H GLN A 67 -9.140 -5.511 -8.212 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.630 -7.983 -9.499 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.963 -5.948 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.447 -5.888 -9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.140 -8.326 -10.853 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.290 -7.724 -12.029 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.594 -6.134 -10.245 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.738 -5.583 -11.689 1.00 0.00 H new ATOM 1082 N TYR A 68 -7.078 -7.855 -7.471 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.051 -8.654 -6.813 1.00 0.00 C ATOM 1084 C TYR A 68 -6.648 -9.477 -5.676 1.00 0.00 C ATOM 1085 O TYR A 68 -6.207 -10.596 -5.406 1.00 0.00 O ATOM 1086 CB TYR A 68 -4.939 -7.751 -6.275 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.260 -8.297 -5.039 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -4.875 -8.227 -3.795 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.004 -8.885 -5.117 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -4.258 -8.725 -2.664 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -2.379 -9.387 -3.990 1.00 0.00 C ATOM 1092 CZ TYR A 68 -3.010 -9.304 -2.767 1.00 0.00 C ATOM 1093 OH TYR A 68 -2.393 -9.801 -1.642 1.00 0.00 O ATOM 0 H TYR A 68 -7.207 -6.924 -7.074 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.630 -9.337 -7.550 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.192 -7.605 -7.055 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.357 -6.771 -6.046 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.852 -7.775 -3.711 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.507 -8.951 -6.074 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.750 -8.661 -1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.402 -9.841 -4.068 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.521 -10.176 -1.886 1.00 0.00 H new ATOM 1103 N LEU A 69 -7.652 -8.917 -5.012 1.00 0.00 N ATOM 1104 CA LEU A 69 -8.312 -9.599 -3.903 1.00 0.00 C ATOM 1105 C LEU A 69 -8.694 -11.024 -4.290 1.00 0.00 C ATOM 1106 O LEU A 69 -8.296 -11.986 -3.634 1.00 0.00 O ATOM 1107 CB LEU A 69 -9.557 -8.824 -3.470 1.00 0.00 C ATOM 1108 CG LEU A 69 -9.349 -7.778 -2.374 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -8.472 -8.335 -1.264 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -8.737 -6.512 -2.955 1.00 0.00 C ATOM 0 H LEU A 69 -8.028 -7.992 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.612 -9.644 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.973 -8.326 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.304 -9.539 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.321 -7.526 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.335 -7.577 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.950 -9.213 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.502 -8.616 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.596 -5.779 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.773 -6.748 -3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.403 -6.101 -3.714 1.00 0.00 H new ATOM 1122 N LYS A 70 -9.468 -11.152 -5.363 1.00 0.00 N ATOM 1123 CA LYS A 70 -9.903 -12.459 -5.842 1.00 0.00 C ATOM 1124 C LYS A 70 -8.705 -13.341 -6.180 1.00 0.00 C ATOM 1125 O LYS A 70 -8.764 -14.562 -6.041 1.00 0.00 O ATOM 1126 CB LYS A 70 -10.798 -12.302 -7.072 1.00 0.00 C ATOM 1127 CG LYS A 70 -12.017 -11.429 -6.832 1.00 0.00 C ATOM 1128 CD LYS A 70 -12.875 -11.313 -8.080 1.00 0.00 C ATOM 1129 CE LYS A 70 -13.804 -12.509 -8.230 1.00 0.00 C ATOM 1130 NZ LYS A 70 -14.669 -12.390 -9.437 1.00 0.00 N ATOM 0 H LYS A 70 -9.807 -10.366 -5.918 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.472 -12.939 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.211 -11.876 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.127 -13.288 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.611 -11.847 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.698 -10.436 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.464 -10.397 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.234 -11.236 -8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.213 -13.422 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.430 -12.597 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.287 -13.223 -9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.252 -11.532 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.073 -12.332 -10.287 1.00 0.00 H new ATOM 1144 N GLU A 71 -7.620 -12.712 -6.621 1.00 0.00 N ATOM 1145 CA GLU A 71 -6.408 -13.442 -6.978 1.00 0.00 C ATOM 1146 C GLU A 71 -5.759 -14.057 -5.741 1.00 0.00 C ATOM 1147 O GLU A 71 -4.757 -14.766 -5.839 1.00 0.00 O ATOM 1148 CB GLU A 71 -5.416 -12.513 -7.680 1.00 0.00 C ATOM 1149 CG GLU A 71 -5.930 -11.953 -8.995 1.00 0.00 C ATOM 1150 CD GLU A 71 -5.617 -12.852 -10.175 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -4.420 -13.108 -10.423 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -6.567 -13.300 -10.849 1.00 0.00 O ATOM 0 H GLU A 71 -7.555 -11.701 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.686 -14.247 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.172 -11.686 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.490 -13.057 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.009 -11.811 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.489 -10.971 -9.164 1.00 0.00 H new ATOM 1159 N LEU A 72 -6.337 -13.780 -4.577 1.00 0.00 N ATOM 1160 CA LEU A 72 -5.816 -14.304 -3.320 1.00 0.00 C ATOM 1161 C LEU A 72 -6.666 -15.470 -2.823 1.00 0.00 C ATOM 1162 O LEU A 72 -6.145 -16.536 -2.497 1.00 0.00 O ATOM 1163 CB LEU A 72 -5.774 -13.201 -2.262 1.00 0.00 C ATOM 1164 CG LEU A 72 -5.330 -13.629 -0.863 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -3.933 -14.227 -0.905 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -5.378 -12.448 0.096 1.00 0.00 C ATOM 0 H LEU A 72 -7.167 -13.195 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.803 -14.666 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.102 -12.417 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.768 -12.759 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.019 -14.393 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.635 -14.526 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.930 -15.099 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.231 -13.485 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.059 -12.771 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.713 -11.662 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.397 -12.064 0.150 1.00 0.00 H new