USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 449 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 24 ASN : amide:sc= -1.02! C(o=-8.2!,f=-14!) USER MOD Set 1.2: A 26 CYS SG : rot 39:sc= -2.02! USER MOD Set 1.3: A 28 HIS :FLIP no HE2:sc= -3.84 F(o=-10!,f=-8.2) USER MOD Set 1.4: A 46 CYS SG : rot 133:sc= -2.92! USER MOD Set 1.5: A 49 CYS SG : rot -72:sc= 1.28 USER MOD Set 1.6: A 51 THR OG1 : rot 121:sc= 0.296! USER MOD Set 2.1: A 6 CYS SG : rot 170:sc= -6.21! USER MOD Set 2.2: A 9 CYS SG : rot 31:sc= -9.49! USER MOD Set 2.3: A 12 THR OG1 : rot 117:sc= 1.06 USER MOD Set 2.4: A 16 ASN : amide:sc= -1.52 K(o=-30,f=-32!) USER MOD Set 2.5: A 31 CYS SG : rot -99:sc= -8.76! USER MOD Set 2.6: A 33 SER OG : rot -152:sc= -0.809 USER MOD Set 2.7: A 34 CYS SG : rot 20:sc= -4.1! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.686 USER MOD Single : A 13 LYS NZ :NH3+ -167:sc= 0.0374 (180deg=-0.00523) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 135:sc= -0.0923 (180deg=-0.522) USER MOD Single : A 22 MET CE :methyl 142:sc= -2.64 (180deg=-3.34!) USER MOD Single : A 29 THR OG1 : rot -68:sc= -4.55! USER MOD Single : A 45 ASN : amide:sc= -4.18! C(o=-4.2!,f=-4.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -41:sc= 1.71 USER MOD Single : A 57 ASN : amide:sc= -9.34! C(o=-9.3!,f=-14!) USER MOD Single : A 61 GLN : amide:sc= -3.12! C(o=-3.1!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 -8.240 -7.139 -2.052 1.00 0.00 N ATOM 62 CA GLY A 5 -7.170 -6.317 -2.685 1.00 0.00 C ATOM 63 C GLY A 5 -6.398 -5.556 -1.605 1.00 0.00 C ATOM 64 O GLY A 5 -5.501 -6.087 -0.981 1.00 0.00 O ATOM 0 HA2 GLY A 5 -6.491 -6.957 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.609 -5.616 -3.395 1.00 0.00 H new ATOM 68 N CYS A 6 -6.734 -4.315 -1.381 1.00 0.00 N ATOM 69 CA CYS A 6 -6.017 -3.522 -0.347 1.00 0.00 C ATOM 70 C CYS A 6 -5.891 -4.333 0.959 1.00 0.00 C ATOM 71 O CYS A 6 -6.882 -4.695 1.561 1.00 0.00 O ATOM 72 CB CYS A 6 -6.891 -2.276 -0.147 1.00 0.00 C ATOM 73 SG CYS A 6 -6.528 -1.563 1.450 1.00 0.00 S ATOM 0 H CYS A 6 -7.476 -3.816 -1.872 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.000 -3.263 -0.642 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.698 -1.550 -0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.946 -2.542 -0.210 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.094 -0.396 1.543 1.00 0.00 H new ATOM 78 N PRO A 7 -4.666 -4.595 1.344 1.00 0.00 N ATOM 79 CA PRO A 7 -4.391 -5.370 2.575 1.00 0.00 C ATOM 80 C PRO A 7 -4.161 -4.485 3.823 1.00 0.00 C ATOM 81 O PRO A 7 -4.545 -4.852 4.916 1.00 0.00 O ATOM 82 CB PRO A 7 -3.098 -6.094 2.218 1.00 0.00 C ATOM 83 CG PRO A 7 -2.428 -5.248 1.165 1.00 0.00 C ATOM 84 CD PRO A 7 -3.426 -4.224 0.671 1.00 0.00 C ATOM 0 HA PRO A 7 -5.230 -6.012 2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.459 -6.206 3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.303 -7.096 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.549 -4.753 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.084 -5.871 0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.119 -3.210 0.928 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.533 -4.260 -0.413 1.00 0.00 H new ATOM 92 N ARG A 8 -3.497 -3.360 3.696 1.00 0.00 N ATOM 93 CA ARG A 8 -3.214 -2.526 4.916 1.00 0.00 C ATOM 94 C ARG A 8 -4.321 -1.507 5.220 1.00 0.00 C ATOM 95 O ARG A 8 -4.606 -1.234 6.369 1.00 0.00 O ATOM 96 CB ARG A 8 -1.892 -1.804 4.619 1.00 0.00 C ATOM 97 CG ARG A 8 -1.384 -1.105 5.879 1.00 0.00 C ATOM 98 CD ARG A 8 0.114 -0.828 5.735 1.00 0.00 C ATOM 99 NE ARG A 8 0.549 -0.337 7.073 1.00 0.00 N ATOM 100 CZ ARG A 8 -0.102 0.633 7.660 1.00 0.00 C ATOM 101 NH1 ARG A 8 -0.797 1.477 6.949 1.00 0.00 N ATOM 102 NH2 ARG A 8 -0.056 0.756 8.958 1.00 0.00 N ATOM 0 H ARG A 8 -3.142 -2.985 2.816 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.161 -3.162 5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.149 -2.519 4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.037 -1.075 3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.925 -0.171 6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.568 -1.729 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.656 -1.730 5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.305 -0.084 4.961 1.00 0.00 H new ATOM 0 HE ARG A 8 1.356 -0.759 7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.833 1.381 5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.305 2.233 7.408 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.488 0.096 9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.564 1.512 9.417 1.00 0.00 H new ATOM 116 N CYS A 9 -4.939 -0.920 4.232 1.00 0.00 N ATOM 117 CA CYS A 9 -5.997 0.087 4.543 1.00 0.00 C ATOM 118 C CYS A 9 -7.269 -0.187 3.730 1.00 0.00 C ATOM 119 O CYS A 9 -7.624 0.533 2.834 1.00 0.00 O ATOM 120 CB CYS A 9 -5.340 1.444 4.227 1.00 0.00 C ATOM 121 SG CYS A 9 -5.397 1.870 2.459 1.00 0.00 S ATOM 0 H CYS A 9 -4.764 -1.088 3.241 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.333 0.056 5.579 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -5.840 2.225 4.799 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.301 1.423 4.556 1.00 0.00 H new ATOM 0 HG CYS A 9 -6.467 1.361 1.924 1.00 0.00 H new ATOM 126 N LYS A 10 -7.918 -1.283 4.028 1.00 0.00 N ATOM 127 CA LYS A 10 -9.160 -1.730 3.303 1.00 0.00 C ATOM 128 C LYS A 10 -9.843 -0.644 2.440 1.00 0.00 C ATOM 129 O LYS A 10 -10.332 -0.940 1.367 1.00 0.00 O ATOM 130 CB LYS A 10 -10.103 -2.185 4.420 1.00 0.00 C ATOM 131 CG LYS A 10 -10.794 -0.970 5.045 1.00 0.00 C ATOM 132 CD LYS A 10 -11.706 -1.431 6.183 1.00 0.00 C ATOM 133 CE LYS A 10 -10.857 -1.784 7.407 1.00 0.00 C ATOM 134 NZ LYS A 10 -11.687 -2.745 8.186 1.00 0.00 N ATOM 0 H LYS A 10 -7.630 -1.916 4.774 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.903 -2.506 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.848 -2.873 4.021 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.543 -2.728 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.049 -0.269 5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.376 -0.441 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.417 -0.644 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.288 -2.297 5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.907 -2.230 7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.624 -0.896 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.172 -3.034 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.582 -2.290 8.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.887 -3.583 7.603 1.00 0.00 H new ATOM 148 N THR A 11 -9.914 0.584 2.887 1.00 0.00 N ATOM 149 CA THR A 11 -10.603 1.638 2.072 1.00 0.00 C ATOM 150 C THR A 11 -10.326 1.464 0.566 1.00 0.00 C ATOM 151 O THR A 11 -11.007 0.728 -0.119 1.00 0.00 O ATOM 152 CB THR A 11 -10.073 2.991 2.571 1.00 0.00 C ATOM 153 OG1 THR A 11 -10.229 3.960 1.545 1.00 0.00 O ATOM 154 CG2 THR A 11 -8.600 2.886 2.947 1.00 0.00 C ATOM 0 H THR A 11 -9.528 0.904 3.775 1.00 0.00 H new ATOM 0 HA THR A 11 -11.684 1.567 2.192 1.00 0.00 H new ATOM 0 HB THR A 11 -10.638 3.286 3.455 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.894 4.826 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.244 3.855 3.298 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.478 2.146 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.022 2.582 2.074 1.00 0.00 H new ATOM 162 N THR A 12 -9.335 2.138 0.064 1.00 0.00 N ATOM 163 CA THR A 12 -8.971 2.057 -1.373 1.00 0.00 C ATOM 164 C THR A 12 -10.159 1.744 -2.300 1.00 0.00 C ATOM 165 O THR A 12 -11.268 2.158 -2.087 1.00 0.00 O ATOM 166 CB THR A 12 -7.940 0.950 -1.421 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.185 1.049 -2.620 1.00 0.00 O ATOM 168 CG2 THR A 12 -8.650 -0.392 -1.367 1.00 0.00 C ATOM 0 H THR A 12 -8.742 2.763 0.610 1.00 0.00 H new ATOM 0 HA THR A 12 -8.605 3.017 -1.737 1.00 0.00 H new ATOM 0 HB THR A 12 -7.264 1.040 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.247 1.232 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.914 -1.195 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.222 -0.464 -0.442 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.324 -0.482 -2.219 1.00 0.00 H new ATOM 176 N LYS A 13 -9.894 1.010 -3.343 1.00 0.00 N ATOM 177 CA LYS A 13 -10.944 0.665 -4.338 1.00 0.00 C ATOM 178 C LYS A 13 -12.284 0.330 -3.678 1.00 0.00 C ATOM 179 O LYS A 13 -13.316 0.783 -4.134 1.00 0.00 O ATOM 180 CB LYS A 13 -10.330 -0.489 -5.138 1.00 0.00 C ATOM 181 CG LYS A 13 -10.688 -1.850 -4.540 1.00 0.00 C ATOM 182 CD LYS A 13 -9.667 -2.194 -3.459 1.00 0.00 C ATOM 183 CE LYS A 13 -9.422 -3.703 -3.446 1.00 0.00 C ATOM 184 NZ LYS A 13 -9.944 -4.166 -2.130 1.00 0.00 N ATOM 0 H LYS A 13 -8.972 0.626 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.205 1.499 -4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.679 -0.442 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.246 -0.377 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.692 -1.824 -4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.689 -2.615 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.732 -1.665 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.029 -1.866 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.939 -4.194 -4.271 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.362 -3.932 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.619 -5.137 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.594 -3.539 -1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.984 -4.145 -2.142 1.00 0.00 H new ATOM 198 N TYR A 14 -12.314 -0.408 -2.606 1.00 0.00 N ATOM 199 CA TYR A 14 -13.639 -0.665 -1.982 1.00 0.00 C ATOM 200 C TYR A 14 -14.233 0.696 -1.613 1.00 0.00 C ATOM 201 O TYR A 14 -15.352 1.018 -1.959 1.00 0.00 O ATOM 202 CB TYR A 14 -13.372 -1.548 -0.759 1.00 0.00 C ATOM 203 CG TYR A 14 -14.623 -2.330 -0.421 1.00 0.00 C ATOM 204 CD1 TYR A 14 -15.373 -2.929 -1.441 1.00 0.00 C ATOM 205 CD2 TYR A 14 -15.032 -2.456 0.912 1.00 0.00 C ATOM 206 CE1 TYR A 14 -16.529 -3.653 -1.128 1.00 0.00 C ATOM 207 CE2 TYR A 14 -16.190 -3.180 1.225 1.00 0.00 C ATOM 208 CZ TYR A 14 -16.938 -3.779 0.204 1.00 0.00 C ATOM 209 OH TYR A 14 -18.078 -4.492 0.513 1.00 0.00 O ATOM 0 H TYR A 14 -11.508 -0.832 -2.147 1.00 0.00 H new ATOM 0 HA TYR A 14 -14.350 -1.175 -2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.547 -2.231 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.074 -0.932 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -15.059 -2.832 -2.470 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -14.455 -1.995 1.700 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -17.106 -4.115 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -16.506 -3.276 2.253 1.00 0.00 H new ATOM 0 HH TYR A 14 -18.218 -4.482 1.483 1.00 0.00 H new ATOM 219 N ARG A 15 -13.453 1.517 -0.969 1.00 0.00 N ATOM 220 CA ARG A 15 -13.905 2.897 -0.630 1.00 0.00 C ATOM 221 C ARG A 15 -13.501 3.822 -1.777 1.00 0.00 C ATOM 222 O ARG A 15 -14.283 4.170 -2.639 1.00 0.00 O ATOM 223 CB ARG A 15 -13.126 3.250 0.633 1.00 0.00 C ATOM 224 CG ARG A 15 -13.909 2.801 1.871 1.00 0.00 C ATOM 225 CD ARG A 15 -14.469 1.389 1.652 1.00 0.00 C ATOM 226 NE ARG A 15 -13.279 0.494 1.651 1.00 0.00 N ATOM 227 CZ ARG A 15 -13.102 -0.350 2.629 1.00 0.00 C ATOM 228 NH1 ARG A 15 -13.567 -0.081 3.818 1.00 0.00 N ATOM 229 NH2 ARG A 15 -12.459 -1.466 2.419 1.00 0.00 N ATOM 0 H ARG A 15 -12.509 1.289 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.981 2.985 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.149 2.767 0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -12.950 4.325 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.260 2.812 2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.723 3.498 2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.167 1.115 2.443 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.013 1.323 0.710 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.604 0.541 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.070 0.791 3.984 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.428 -0.742 4.582 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.095 -1.678 1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.320 -2.126 3.184 1.00 0.00 H new ATOM 243 N ASN A 16 -12.244 4.157 -1.799 1.00 0.00 N ATOM 244 CA ASN A 16 -11.669 4.995 -2.881 1.00 0.00 C ATOM 245 C ASN A 16 -12.132 4.491 -4.253 1.00 0.00 C ATOM 246 O ASN A 16 -12.343 3.308 -4.435 1.00 0.00 O ATOM 247 CB ASN A 16 -10.161 4.777 -2.709 1.00 0.00 C ATOM 248 CG ASN A 16 -9.490 6.085 -2.288 1.00 0.00 C ATOM 249 OD1 ASN A 16 -10.154 7.035 -1.924 1.00 0.00 O ATOM 250 ND2 ASN A 16 -8.187 6.173 -2.323 1.00 0.00 N ATOM 0 H ASN A 16 -11.571 3.874 -1.087 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.966 6.042 -2.827 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.979 4.007 -1.959 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.728 4.420 -3.643 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.727 7.040 -2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.630 5.375 -2.629 1.00 0.00 H new ATOM 257 N PRO A 17 -12.278 5.402 -5.180 1.00 0.00 N ATOM 258 CA PRO A 17 -12.704 5.046 -6.543 1.00 0.00 C ATOM 259 C PRO A 17 -11.513 4.970 -7.512 1.00 0.00 C ATOM 260 O PRO A 17 -11.272 3.955 -8.134 1.00 0.00 O ATOM 261 CB PRO A 17 -13.593 6.228 -6.913 1.00 0.00 C ATOM 262 CG PRO A 17 -13.102 7.383 -6.068 1.00 0.00 C ATOM 263 CD PRO A 17 -12.104 6.843 -5.063 1.00 0.00 C ATOM 0 HA PRO A 17 -13.189 4.071 -6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.517 6.459 -7.976 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.641 6.010 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.636 8.142 -6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.937 7.861 -5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.085 7.148 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.315 7.196 -4.053 1.00 0.00 H new ATOM 271 N SER A 18 -10.795 6.051 -7.675 1.00 0.00 N ATOM 272 CA SER A 18 -9.651 6.053 -8.639 1.00 0.00 C ATOM 273 C SER A 18 -8.344 5.595 -7.982 1.00 0.00 C ATOM 274 O SER A 18 -7.426 6.370 -7.805 1.00 0.00 O ATOM 275 CB SER A 18 -9.532 7.505 -9.095 1.00 0.00 C ATOM 276 OG SER A 18 -10.389 7.720 -10.209 1.00 0.00 O ATOM 0 H SER A 18 -10.950 6.932 -7.184 1.00 0.00 H new ATOM 0 HA SER A 18 -9.827 5.361 -9.462 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.801 8.177 -8.280 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.501 7.729 -9.367 1.00 0.00 H new ATOM 0 HG SER A 18 -10.316 8.652 -10.503 1.00 0.00 H new ATOM 282 N LEU A 19 -8.244 4.341 -7.638 1.00 0.00 N ATOM 283 CA LEU A 19 -6.978 3.843 -7.015 1.00 0.00 C ATOM 284 C LEU A 19 -6.361 2.712 -7.850 1.00 0.00 C ATOM 285 O LEU A 19 -6.506 2.665 -9.056 1.00 0.00 O ATOM 286 CB LEU A 19 -7.370 3.353 -5.617 1.00 0.00 C ATOM 287 CG LEU A 19 -8.579 2.419 -5.659 1.00 0.00 C ATOM 288 CD1 LEU A 19 -9.847 3.251 -5.729 1.00 0.00 C ATOM 289 CD2 LEU A 19 -8.528 1.452 -6.849 1.00 0.00 C ATOM 0 H LEU A 19 -8.976 3.641 -7.759 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.221 4.626 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.525 2.834 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.595 4.210 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.567 1.815 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.714 2.591 -5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.910 3.893 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.829 3.867 -6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.409 0.810 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.509 2.020 -7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.630 0.838 -6.781 1.00 0.00 H new ATOM 301 N LYS A 20 -5.694 1.792 -7.208 1.00 0.00 N ATOM 302 CA LYS A 20 -5.078 0.651 -7.931 1.00 0.00 C ATOM 303 C LYS A 20 -4.159 -0.106 -6.971 1.00 0.00 C ATOM 304 O LYS A 20 -4.018 0.263 -5.824 1.00 0.00 O ATOM 305 CB LYS A 20 -4.292 1.269 -9.095 1.00 0.00 C ATOM 306 CG LYS A 20 -3.593 2.555 -8.638 1.00 0.00 C ATOM 307 CD LYS A 20 -4.221 3.762 -9.340 1.00 0.00 C ATOM 308 CE LYS A 20 -3.114 4.672 -9.877 1.00 0.00 C ATOM 309 NZ LYS A 20 -2.540 5.333 -8.672 1.00 0.00 N ATOM 0 H LYS A 20 -5.550 1.786 -6.198 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.813 -0.061 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.554 0.557 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.966 1.487 -9.923 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.682 2.664 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.529 2.503 -8.867 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.861 3.429 -10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.854 4.313 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.356 4.099 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.512 5.406 -10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.502 5.314 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.867 6.319 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.850 4.827 -7.818 1.00 0.00 H new ATOM 323 N LEU A 21 -3.544 -1.165 -7.411 1.00 0.00 N ATOM 324 CA LEU A 21 -2.657 -1.929 -6.484 1.00 0.00 C ATOM 325 C LEU A 21 -1.254 -2.078 -7.074 1.00 0.00 C ATOM 326 O LEU A 21 -1.090 -2.485 -8.207 1.00 0.00 O ATOM 327 CB LEU A 21 -3.327 -3.298 -6.347 1.00 0.00 C ATOM 328 CG LEU A 21 -4.384 -3.245 -5.242 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.449 -2.205 -5.598 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.044 -4.619 -5.104 1.00 0.00 C ATOM 0 H LEU A 21 -3.613 -1.534 -8.359 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.537 -1.426 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.789 -3.584 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.581 -4.057 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.909 -2.970 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.201 -2.169 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.982 -1.225 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.924 -2.479 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.797 -4.583 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.517 -4.892 -6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.288 -5.362 -4.849 1.00 0.00 H new ATOM 342 N MET A 22 -0.234 -1.759 -6.317 1.00 0.00 N ATOM 343 CA MET A 22 1.145 -1.902 -6.859 1.00 0.00 C ATOM 344 C MET A 22 1.690 -3.282 -6.525 1.00 0.00 C ATOM 345 O MET A 22 1.073 -4.051 -5.821 1.00 0.00 O ATOM 346 CB MET A 22 2.034 -0.831 -6.197 1.00 0.00 C ATOM 347 CG MET A 22 1.216 0.181 -5.383 1.00 0.00 C ATOM 348 SD MET A 22 2.105 1.758 -5.316 1.00 0.00 S ATOM 349 CE MET A 22 0.658 2.824 -5.115 1.00 0.00 C ATOM 0 H MET A 22 -0.297 -1.411 -5.360 1.00 0.00 H new ATOM 0 HA MET A 22 1.136 -1.778 -7.942 1.00 0.00 H new ATOM 0 HB2 MET A 22 2.760 -1.317 -5.545 1.00 0.00 H new ATOM 0 HB3 MET A 22 2.599 -0.304 -6.966 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.236 0.323 -5.838 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.048 -0.198 -4.375 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.896 3.635 -4.427 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.375 3.240 -6.082 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.171 2.241 -4.714 1.00 0.00 H new ATOM 359 N VAL A 23 2.849 -3.590 -7.022 1.00 0.00 N ATOM 360 CA VAL A 23 3.469 -4.909 -6.736 1.00 0.00 C ATOM 361 C VAL A 23 4.935 -4.678 -6.364 1.00 0.00 C ATOM 362 O VAL A 23 5.590 -3.815 -6.913 1.00 0.00 O ATOM 363 CB VAL A 23 3.313 -5.699 -8.043 1.00 0.00 C ATOM 364 CG1 VAL A 23 4.564 -6.540 -8.326 1.00 0.00 C ATOM 365 CG2 VAL A 23 2.102 -6.626 -7.927 1.00 0.00 C ATOM 0 H VAL A 23 3.401 -2.977 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 23 3.015 -5.452 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 23 3.175 -4.993 -8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.429 -7.091 -9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.431 -5.885 -8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.722 -7.243 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.986 -7.190 -8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.251 -7.317 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.205 -6.033 -7.749 1.00 0.00 H new ATOM 375 N ASN A 24 5.453 -5.414 -5.424 1.00 0.00 N ATOM 376 CA ASN A 24 6.871 -5.185 -5.026 1.00 0.00 C ATOM 377 C ASN A 24 7.746 -6.401 -5.323 1.00 0.00 C ATOM 378 O ASN A 24 7.276 -7.462 -5.686 1.00 0.00 O ATOM 379 CB ASN A 24 6.851 -4.890 -3.521 1.00 0.00 C ATOM 380 CG ASN A 24 5.690 -5.621 -2.837 1.00 0.00 C ATOM 381 OD1 ASN A 24 5.651 -6.835 -2.809 1.00 0.00 O ATOM 382 ND2 ASN A 24 4.735 -4.924 -2.282 1.00 0.00 N ATOM 0 H ASN A 24 4.966 -6.155 -4.919 1.00 0.00 H new ATOM 0 HA ASN A 24 7.298 -4.358 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.795 -5.199 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.757 -3.816 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.956 -5.399 -1.825 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.768 -3.905 -2.305 1.00 0.00 H new ATOM 389 N VAL A 25 9.027 -6.226 -5.175 1.00 0.00 N ATOM 390 CA VAL A 25 10.003 -7.319 -5.443 1.00 0.00 C ATOM 391 C VAL A 25 9.438 -8.706 -5.084 1.00 0.00 C ATOM 392 O VAL A 25 9.223 -9.527 -5.953 1.00 0.00 O ATOM 393 CB VAL A 25 11.219 -6.965 -4.576 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.770 -6.478 -3.194 1.00 0.00 C ATOM 395 CG2 VAL A 25 12.105 -8.194 -4.410 1.00 0.00 C ATOM 0 H VAL A 25 9.450 -5.349 -4.872 1.00 0.00 H new ATOM 0 HA VAL A 25 10.252 -7.388 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 25 11.777 -6.169 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.645 -6.232 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.145 -5.592 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.200 -7.264 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.968 -7.940 -3.794 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.537 -8.990 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.445 -8.532 -5.389 1.00 0.00 H new ATOM 405 N CYS A 26 9.210 -8.992 -3.827 1.00 0.00 N ATOM 406 CA CYS A 26 8.681 -10.345 -3.470 1.00 0.00 C ATOM 407 C CYS A 26 7.521 -10.728 -4.396 1.00 0.00 C ATOM 408 O CYS A 26 7.513 -11.797 -4.972 1.00 0.00 O ATOM 409 CB CYS A 26 8.220 -10.252 -2.011 1.00 0.00 C ATOM 410 SG CYS A 26 7.355 -8.692 -1.729 1.00 0.00 S ATOM 0 H CYS A 26 9.364 -8.359 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 26 9.441 -11.117 -3.588 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.562 -11.089 -1.776 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.080 -10.325 -1.345 1.00 0.00 H new ATOM 0 HG CYS A 26 6.626 -8.406 -2.767 1.00 0.00 H new ATOM 415 N GLY A 27 6.551 -9.869 -4.563 1.00 0.00 N ATOM 416 CA GLY A 27 5.420 -10.214 -5.476 1.00 0.00 C ATOM 417 C GLY A 27 4.085 -9.751 -4.883 1.00 0.00 C ATOM 418 O GLY A 27 3.085 -9.697 -5.570 1.00 0.00 O ATOM 0 H GLY A 27 6.491 -8.955 -4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.574 -9.745 -6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.396 -11.291 -5.642 1.00 0.00 H new ATOM 422 N HIS A 28 4.051 -9.423 -3.622 1.00 0.00 N ATOM 423 CA HIS A 28 2.766 -8.973 -3.012 1.00 0.00 C ATOM 424 C HIS A 28 2.264 -7.707 -3.716 1.00 0.00 C ATOM 425 O HIS A 28 2.396 -7.572 -4.917 1.00 0.00 O ATOM 426 CB HIS A 28 3.094 -8.717 -1.542 1.00 0.00 C ATOM 427 CG HIS A 28 3.437 -10.033 -0.902 1.00 0.00 C ATOM 428 ND1 HIS A 28 2.772 -11.234 -0.889 1.00 0.00 N flip ATOM 429 CD2 HIS A 28 4.601 -10.240 -0.172 1.00 0.00 C flip ATOM 430 CE1 HIS A 28 3.505 -12.170 -0.170 1.00 0.00 C flip ATOM 431 NE2 HIS A 28 4.596 -11.522 0.238 1.00 0.00 N flip ATOM 0 H HIS A 28 4.851 -9.446 -2.990 1.00 0.00 H new ATOM 0 HA HIS A 28 1.969 -9.710 -3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.929 -8.022 -1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.244 -8.259 -1.037 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.874 -11.412 -1.340 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.368 -9.507 0.029 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.246 -13.202 0.018 1.00 0.00 H new ATOM 439 N THR A 29 1.674 -6.784 -3.005 1.00 0.00 N ATOM 440 CA THR A 29 1.166 -5.563 -3.694 1.00 0.00 C ATOM 441 C THR A 29 0.672 -4.518 -2.683 1.00 0.00 C ATOM 442 O THR A 29 0.536 -4.789 -1.508 1.00 0.00 O ATOM 443 CB THR A 29 0.017 -6.098 -4.566 1.00 0.00 C ATOM 444 OG1 THR A 29 0.486 -6.296 -5.891 1.00 0.00 O ATOM 445 CG2 THR A 29 -1.168 -5.120 -4.587 1.00 0.00 C ATOM 0 H THR A 29 1.524 -6.820 -1.997 1.00 0.00 H new ATOM 0 HA THR A 29 1.932 -5.051 -4.277 1.00 0.00 H new ATOM 0 HB THR A 29 -0.325 -7.042 -4.141 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.688 -5.428 -6.299 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.964 -5.526 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.540 -4.977 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.842 -4.162 -4.992 1.00 0.00 H new ATOM 453 N LEU A 30 0.398 -3.325 -3.148 1.00 0.00 N ATOM 454 CA LEU A 30 -0.095 -2.252 -2.228 1.00 0.00 C ATOM 455 C LEU A 30 -1.173 -1.408 -2.915 1.00 0.00 C ATOM 456 O LEU A 30 -0.901 -0.688 -3.855 1.00 0.00 O ATOM 457 CB LEU A 30 1.127 -1.383 -1.929 1.00 0.00 C ATOM 458 CG LEU A 30 1.195 -1.074 -0.437 1.00 0.00 C ATOM 459 CD1 LEU A 30 1.151 -2.368 0.350 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.497 -0.346 -0.113 1.00 0.00 C ATOM 0 H LEU A 30 0.494 -3.047 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.537 -2.671 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.035 -1.897 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.072 -0.455 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 30 0.347 -0.443 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.200 -2.147 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.223 -2.896 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.999 -2.993 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.537 -0.129 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.344 -0.975 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.541 0.587 -0.674 1.00 0.00 H new ATOM 472 N CYS A 31 -2.390 -1.475 -2.448 1.00 0.00 N ATOM 473 CA CYS A 31 -3.466 -0.655 -3.075 1.00 0.00 C ATOM 474 C CYS A 31 -2.985 0.796 -3.165 1.00 0.00 C ATOM 475 O CYS A 31 -1.899 1.114 -2.724 1.00 0.00 O ATOM 476 CB CYS A 31 -4.678 -0.819 -2.133 1.00 0.00 C ATOM 477 SG CYS A 31 -4.945 0.658 -1.101 1.00 0.00 S ATOM 0 H CYS A 31 -2.685 -2.058 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.727 -0.959 -4.089 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.573 -1.015 -2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.524 -1.687 -1.491 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.439 0.459 0.080 1.00 0.00 H new ATOM 482 N GLU A 32 -3.769 1.688 -3.705 1.00 0.00 N ATOM 483 CA GLU A 32 -3.282 3.099 -3.757 1.00 0.00 C ATOM 484 C GLU A 32 -3.314 3.672 -2.339 1.00 0.00 C ATOM 485 O GLU A 32 -2.395 4.329 -1.892 1.00 0.00 O ATOM 486 CB GLU A 32 -4.225 3.851 -4.719 1.00 0.00 C ATOM 487 CG GLU A 32 -5.282 4.670 -3.957 1.00 0.00 C ATOM 488 CD GLU A 32 -5.868 5.733 -4.889 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.195 6.093 -5.840 1.00 0.00 O ATOM 490 OE2 GLU A 32 -6.977 6.171 -4.633 1.00 0.00 O ATOM 0 H GLU A 32 -4.693 1.514 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.258 3.187 -4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.641 4.515 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.722 3.136 -5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.073 4.014 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.832 5.143 -3.084 1.00 0.00 H new ATOM 497 N SER A 33 -4.385 3.425 -1.643 1.00 0.00 N ATOM 498 CA SER A 33 -4.527 3.943 -0.257 1.00 0.00 C ATOM 499 C SER A 33 -3.505 3.305 0.710 1.00 0.00 C ATOM 500 O SER A 33 -3.349 3.768 1.822 1.00 0.00 O ATOM 501 CB SER A 33 -5.966 3.584 0.142 1.00 0.00 C ATOM 502 OG SER A 33 -6.867 4.163 -0.794 1.00 0.00 O ATOM 0 H SER A 33 -5.178 2.879 -1.980 1.00 0.00 H new ATOM 0 HA SER A 33 -4.333 5.014 -0.207 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.091 2.501 0.164 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.180 3.950 1.146 1.00 0.00 H new ATOM 0 HG SER A 33 -7.726 4.337 -0.356 1.00 0.00 H new ATOM 508 N CYS A 34 -2.793 2.268 0.321 1.00 0.00 N ATOM 509 CA CYS A 34 -1.792 1.681 1.276 1.00 0.00 C ATOM 510 C CYS A 34 -0.462 2.409 1.125 1.00 0.00 C ATOM 511 O CYS A 34 0.052 2.996 2.056 1.00 0.00 O ATOM 512 CB CYS A 34 -1.589 0.206 0.909 1.00 0.00 C ATOM 513 SG CYS A 34 -2.885 -0.829 1.624 1.00 0.00 S ATOM 0 H CYS A 34 -2.858 1.814 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.149 1.779 2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.588 0.095 -0.175 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.615 -0.129 1.264 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.915 -0.093 1.918 1.00 0.00 H new ATOM 518 N VAL A 35 0.097 2.370 -0.055 1.00 0.00 N ATOM 519 CA VAL A 35 1.396 3.055 -0.294 1.00 0.00 C ATOM 520 C VAL A 35 1.393 4.424 0.402 1.00 0.00 C ATOM 521 O VAL A 35 2.430 4.957 0.745 1.00 0.00 O ATOM 522 CB VAL A 35 1.494 3.171 -1.827 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.208 4.463 -2.224 1.00 0.00 C ATOM 524 CG2 VAL A 35 2.280 1.980 -2.368 1.00 0.00 C ATOM 0 H VAL A 35 -0.294 1.890 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 35 2.255 2.519 0.110 1.00 0.00 H new ATOM 0 HB VAL A 35 0.487 3.183 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.267 4.527 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.652 5.319 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.214 4.466 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.354 2.055 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.281 1.978 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.768 1.055 -2.102 1.00 0.00 H new ATOM 534 N ASP A 36 0.236 4.989 0.623 1.00 0.00 N ATOM 535 CA ASP A 36 0.169 6.311 1.307 1.00 0.00 C ATOM 536 C ASP A 36 0.492 6.156 2.803 1.00 0.00 C ATOM 537 O ASP A 36 1.278 6.896 3.344 1.00 0.00 O ATOM 538 CB ASP A 36 -1.274 6.802 1.066 1.00 0.00 C ATOM 539 CG ASP A 36 -2.106 6.745 2.356 1.00 0.00 C ATOM 540 OD1 ASP A 36 -2.397 5.649 2.803 1.00 0.00 O ATOM 541 OD2 ASP A 36 -2.436 7.801 2.870 1.00 0.00 O ATOM 0 H ASP A 36 -0.665 4.591 0.359 1.00 0.00 H new ATOM 0 HA ASP A 36 0.896 7.027 0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.254 7.824 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.746 6.188 0.299 1.00 0.00 H new ATOM 546 N LEU A 37 -0.107 5.210 3.477 1.00 0.00 N ATOM 547 CA LEU A 37 0.180 5.043 4.933 1.00 0.00 C ATOM 548 C LEU A 37 1.396 4.140 5.145 1.00 0.00 C ATOM 549 O LEU A 37 2.086 4.229 6.138 1.00 0.00 O ATOM 550 CB LEU A 37 -1.076 4.389 5.511 1.00 0.00 C ATOM 551 CG LEU A 37 -1.788 5.376 6.439 1.00 0.00 C ATOM 552 CD1 LEU A 37 -0.960 5.570 7.710 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.950 6.719 5.724 1.00 0.00 C ATOM 0 H LEU A 37 -0.779 4.549 3.086 1.00 0.00 H new ATOM 0 HA LEU A 37 0.409 5.994 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.744 4.086 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.808 3.486 6.060 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.770 4.984 6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.467 6.273 8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.844 4.613 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.022 5.963 7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.457 7.423 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.968 7.111 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.541 6.580 4.818 1.00 0.00 H new ATOM 565 N LEU A 38 1.661 3.273 4.222 1.00 0.00 N ATOM 566 CA LEU A 38 2.824 2.357 4.374 1.00 0.00 C ATOM 567 C LEU A 38 4.136 3.145 4.411 1.00 0.00 C ATOM 568 O LEU A 38 5.016 2.877 5.204 1.00 0.00 O ATOM 569 CB LEU A 38 2.775 1.472 3.123 1.00 0.00 C ATOM 570 CG LEU A 38 3.528 0.159 3.365 1.00 0.00 C ATOM 571 CD1 LEU A 38 4.809 0.427 4.162 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.633 -0.803 4.151 1.00 0.00 C ATOM 0 H LEU A 38 1.124 3.154 3.363 1.00 0.00 H new ATOM 0 HA LEU A 38 2.779 1.784 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.738 1.261 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.216 2.001 2.278 1.00 0.00 H new ATOM 0 HG LEU A 38 3.791 -0.283 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.337 -0.512 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.449 1.109 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.553 0.875 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.167 -1.737 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.368 -0.354 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.726 -1.004 3.581 1.00 0.00 H new ATOM 584 N PHE A 39 4.286 4.084 3.525 1.00 0.00 N ATOM 585 CA PHE A 39 5.557 4.865 3.458 1.00 0.00 C ATOM 586 C PHE A 39 5.536 6.106 4.346 1.00 0.00 C ATOM 587 O PHE A 39 6.508 6.416 5.006 1.00 0.00 O ATOM 588 CB PHE A 39 5.673 5.264 1.992 1.00 0.00 C ATOM 589 CG PHE A 39 5.355 4.068 1.125 1.00 0.00 C ATOM 590 CD1 PHE A 39 5.533 2.771 1.632 1.00 0.00 C ATOM 591 CD2 PHE A 39 4.866 4.248 -0.171 1.00 0.00 C ATOM 592 CE1 PHE A 39 5.217 1.663 0.849 1.00 0.00 C ATOM 593 CE2 PHE A 39 4.555 3.135 -0.957 1.00 0.00 C ATOM 594 CZ PHE A 39 4.729 1.845 -0.444 1.00 0.00 C ATOM 0 H PHE A 39 3.581 4.349 2.838 1.00 0.00 H new ATOM 0 HA PHE A 39 6.400 4.275 3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.987 6.082 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.679 5.625 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.916 2.632 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.729 5.244 -0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.350 0.666 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.180 3.271 -1.961 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.484 0.987 -1.052 1.00 0.00 H new ATOM 604 N VAL A 40 4.458 6.839 4.360 1.00 0.00 N ATOM 605 CA VAL A 40 4.444 8.070 5.204 1.00 0.00 C ATOM 606 C VAL A 40 4.943 7.742 6.610 1.00 0.00 C ATOM 607 O VAL A 40 5.390 8.606 7.337 1.00 0.00 O ATOM 608 CB VAL A 40 2.995 8.546 5.233 1.00 0.00 C ATOM 609 CG1 VAL A 40 2.578 9.002 3.835 1.00 0.00 C ATOM 610 CG2 VAL A 40 2.095 7.408 5.700 1.00 0.00 C ATOM 0 H VAL A 40 3.603 6.647 3.837 1.00 0.00 H new ATOM 0 HA VAL A 40 5.098 8.845 4.805 1.00 0.00 H new ATOM 0 HB VAL A 40 2.900 9.384 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.543 9.342 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.222 9.820 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.672 8.170 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.060 7.748 5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.187 6.566 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.394 7.095 6.700 1.00 0.00 H new ATOM 620 N ARG A 41 4.869 6.499 7.003 1.00 0.00 N ATOM 621 CA ARG A 41 5.342 6.127 8.368 1.00 0.00 C ATOM 622 C ARG A 41 6.771 5.574 8.320 1.00 0.00 C ATOM 623 O ARG A 41 7.404 5.401 9.342 1.00 0.00 O ATOM 624 CB ARG A 41 4.366 5.055 8.845 1.00 0.00 C ATOM 625 CG ARG A 41 2.942 5.473 8.484 1.00 0.00 C ATOM 626 CD ARG A 41 1.958 4.397 8.954 1.00 0.00 C ATOM 627 NE ARG A 41 0.871 5.145 9.646 1.00 0.00 N ATOM 628 CZ ARG A 41 0.076 4.526 10.477 1.00 0.00 C ATOM 629 NH1 ARG A 41 0.193 3.238 10.662 1.00 0.00 N ATOM 630 NH2 ARG A 41 -0.837 5.196 11.125 1.00 0.00 N ATOM 0 H ARG A 41 4.504 5.729 6.442 1.00 0.00 H new ATOM 0 HA ARG A 41 5.368 6.987 9.038 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.605 4.098 8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.455 4.919 9.923 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.703 6.428 8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.855 5.614 7.407 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.569 3.823 8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.440 3.688 9.627 1.00 0.00 H new ATOM 0 HE ARG A 41 0.748 6.142 9.470 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.907 2.713 10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.429 2.757 11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.929 6.202 10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.459 4.714 11.774 1.00 0.00 H new ATOM 644 N GLY A 42 7.293 5.294 7.153 1.00 0.00 N ATOM 645 CA GLY A 42 8.685 4.756 7.092 1.00 0.00 C ATOM 646 C GLY A 42 9.070 4.374 5.657 1.00 0.00 C ATOM 647 O GLY A 42 10.185 4.601 5.231 1.00 0.00 O ATOM 0 H GLY A 42 6.825 5.412 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.383 5.502 7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.769 3.882 7.739 1.00 0.00 H new ATOM 651 N ALA A 43 8.176 3.781 4.909 1.00 0.00 N ATOM 652 CA ALA A 43 8.536 3.380 3.511 1.00 0.00 C ATOM 653 C ALA A 43 9.571 2.256 3.544 1.00 0.00 C ATOM 654 O ALA A 43 10.456 2.238 4.376 1.00 0.00 O ATOM 655 CB ALA A 43 9.129 4.637 2.870 1.00 0.00 C ATOM 0 H ALA A 43 7.224 3.558 5.198 1.00 0.00 H new ATOM 0 HA ALA A 43 7.676 3.011 2.952 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.417 4.420 1.841 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.386 5.435 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.007 4.953 3.433 1.00 0.00 H new ATOM 661 N GLY A 44 9.463 1.313 2.650 1.00 0.00 N ATOM 662 CA GLY A 44 10.436 0.189 2.636 1.00 0.00 C ATOM 663 C GLY A 44 9.884 -0.975 3.465 1.00 0.00 C ATOM 664 O GLY A 44 10.600 -1.604 4.219 1.00 0.00 O ATOM 0 H GLY A 44 8.743 1.273 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.619 -0.135 1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.393 0.517 3.042 1.00 0.00 H new ATOM 668 N ASN A 45 8.615 -1.267 3.337 1.00 0.00 N ATOM 669 CA ASN A 45 8.031 -2.391 4.129 1.00 0.00 C ATOM 670 C ASN A 45 6.770 -2.948 3.452 1.00 0.00 C ATOM 671 O ASN A 45 5.795 -2.251 3.260 1.00 0.00 O ATOM 672 CB ASN A 45 7.674 -1.776 5.483 1.00 0.00 C ATOM 673 CG ASN A 45 8.923 -1.160 6.113 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.188 0.014 5.944 1.00 0.00 O ATOM 675 ND2 ASN A 45 9.710 -1.907 6.838 1.00 0.00 N ATOM 0 H ASN A 45 7.962 -0.780 2.723 1.00 0.00 H new ATOM 0 HA ASN A 45 8.729 -3.224 4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.905 -1.014 5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.261 -2.539 6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.546 -1.505 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.489 -2.892 6.981 1.00 0.00 H new ATOM 682 N CYS A 46 6.785 -4.206 3.106 1.00 0.00 N ATOM 683 CA CYS A 46 5.591 -4.826 2.458 1.00 0.00 C ATOM 684 C CYS A 46 4.394 -4.776 3.414 1.00 0.00 C ATOM 685 O CYS A 46 4.562 -4.863 4.615 1.00 0.00 O ATOM 686 CB CYS A 46 5.994 -6.281 2.198 1.00 0.00 C ATOM 687 SG CYS A 46 5.185 -6.874 0.691 1.00 0.00 S ATOM 0 H CYS A 46 7.576 -4.835 3.244 1.00 0.00 H new ATOM 0 HA CYS A 46 5.301 -4.309 1.543 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.077 -6.357 2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.710 -6.905 3.045 1.00 0.00 H new ATOM 0 HG CYS A 46 6.056 -7.484 -0.058 1.00 0.00 H new ATOM 692 N PRO A 47 3.218 -4.652 2.853 1.00 0.00 N ATOM 693 CA PRO A 47 1.976 -4.607 3.676 1.00 0.00 C ATOM 694 C PRO A 47 1.762 -5.956 4.360 1.00 0.00 C ATOM 695 O PRO A 47 0.879 -6.115 5.179 1.00 0.00 O ATOM 696 CB PRO A 47 0.883 -4.381 2.630 1.00 0.00 C ATOM 697 CG PRO A 47 1.470 -4.959 1.392 1.00 0.00 C ATOM 698 CD PRO A 47 2.908 -4.539 1.425 1.00 0.00 C ATOM 0 HA PRO A 47 1.997 -3.848 4.458 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.046 -4.879 2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.654 -3.322 2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.374 -6.045 1.377 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.967 -4.582 0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.538 -5.188 0.817 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.046 -3.523 1.055 1.00 0.00 H new ATOM 706 N GLU A 48 2.543 -6.940 4.005 1.00 0.00 N ATOM 707 CA GLU A 48 2.354 -8.285 4.614 1.00 0.00 C ATOM 708 C GLU A 48 3.693 -8.968 4.945 1.00 0.00 C ATOM 709 O GLU A 48 3.901 -9.415 6.055 1.00 0.00 O ATOM 710 CB GLU A 48 1.582 -9.079 3.555 1.00 0.00 C ATOM 711 CG GLU A 48 2.289 -8.979 2.200 1.00 0.00 C ATOM 712 CD GLU A 48 1.294 -9.309 1.086 1.00 0.00 C ATOM 713 OE1 GLU A 48 1.051 -10.483 0.865 1.00 0.00 O ATOM 714 OE2 GLU A 48 0.790 -8.381 0.476 1.00 0.00 O ATOM 0 H GLU A 48 3.299 -6.871 3.324 1.00 0.00 H new ATOM 0 HA GLU A 48 1.824 -8.222 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.505 -10.123 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.565 -8.696 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.690 -7.975 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.133 -9.668 2.165 1.00 0.00 H new ATOM 721 N CYS A 49 4.595 -9.075 4.005 1.00 0.00 N ATOM 722 CA CYS A 49 5.892 -9.757 4.311 1.00 0.00 C ATOM 723 C CYS A 49 6.985 -8.739 4.648 1.00 0.00 C ATOM 724 O CYS A 49 8.156 -9.061 4.652 1.00 0.00 O ATOM 725 CB CYS A 49 6.232 -10.576 3.049 1.00 0.00 C ATOM 726 SG CYS A 49 7.333 -9.658 1.927 1.00 0.00 S ATOM 0 H CYS A 49 4.495 -8.726 3.052 1.00 0.00 H new ATOM 0 HA CYS A 49 5.818 -10.401 5.187 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.708 -11.512 3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.312 -10.835 2.525 1.00 0.00 H new ATOM 0 HG CYS A 49 6.668 -8.698 1.356 1.00 0.00 H new ATOM 731 N GLY A 50 6.616 -7.520 4.937 1.00 0.00 N ATOM 732 CA GLY A 50 7.640 -6.490 5.278 1.00 0.00 C ATOM 733 C GLY A 50 8.749 -6.491 4.222 1.00 0.00 C ATOM 734 O GLY A 50 8.694 -5.760 3.254 1.00 0.00 O ATOM 0 H GLY A 50 5.650 -7.193 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.175 -5.505 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.062 -6.695 6.262 1.00 0.00 H new ATOM 738 N THR A 51 9.750 -7.307 4.403 1.00 0.00 N ATOM 739 CA THR A 51 10.868 -7.365 3.416 1.00 0.00 C ATOM 740 C THR A 51 11.521 -5.987 3.271 1.00 0.00 C ATOM 741 O THR A 51 10.855 -4.973 3.305 1.00 0.00 O ATOM 742 CB THR A 51 10.217 -7.811 2.103 1.00 0.00 C ATOM 743 OG1 THR A 51 10.025 -9.218 2.131 1.00 0.00 O ATOM 744 CG2 THR A 51 11.119 -7.445 0.921 1.00 0.00 C ATOM 0 H THR A 51 9.843 -7.941 5.197 1.00 0.00 H new ATOM 0 HA THR A 51 11.659 -8.050 3.723 1.00 0.00 H new ATOM 0 HB THR A 51 9.257 -7.308 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.071 -9.420 2.030 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.649 -7.766 -0.009 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.269 -6.366 0.898 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.082 -7.943 1.031 1.00 0.00 H new ATOM 752 N PRO A 52 12.815 -6.002 3.113 1.00 0.00 N ATOM 753 CA PRO A 52 13.574 -4.740 2.960 1.00 0.00 C ATOM 754 C PRO A 52 13.296 -4.115 1.591 1.00 0.00 C ATOM 755 O PRO A 52 13.993 -4.370 0.629 1.00 0.00 O ATOM 756 CB PRO A 52 15.031 -5.182 3.072 1.00 0.00 C ATOM 757 CG PRO A 52 15.029 -6.622 2.672 1.00 0.00 C ATOM 758 CD PRO A 52 13.684 -7.182 3.061 1.00 0.00 C ATOM 0 HA PRO A 52 13.306 -3.985 3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 52 15.674 -4.592 2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.405 -5.055 4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.195 -6.725 1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.832 -7.163 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.328 -7.909 2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.726 -7.691 4.024 1.00 0.00 H new ATOM 766 N LEU A 53 12.284 -3.294 1.496 1.00 0.00 N ATOM 767 CA LEU A 53 11.969 -2.651 0.192 1.00 0.00 C ATOM 768 C LEU A 53 12.955 -1.505 -0.079 1.00 0.00 C ATOM 769 O LEU A 53 12.861 -0.811 -1.072 1.00 0.00 O ATOM 770 CB LEU A 53 10.536 -2.138 0.360 1.00 0.00 C ATOM 771 CG LEU A 53 9.518 -3.200 -0.102 1.00 0.00 C ATOM 772 CD1 LEU A 53 10.075 -4.615 0.106 1.00 0.00 C ATOM 773 CD2 LEU A 53 8.233 -3.049 0.713 1.00 0.00 C ATOM 0 H LEU A 53 11.664 -3.042 2.266 1.00 0.00 H new ATOM 0 HA LEU A 53 12.055 -3.330 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.356 -1.885 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.402 -1.223 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 53 9.318 -3.053 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.340 -5.348 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.992 -4.733 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.289 -4.770 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.508 -3.797 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.455 -3.189 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.819 -2.053 0.558 1.00 0.00 H new ATOM 785 N ARG A 54 13.913 -1.322 0.796 1.00 0.00 N ATOM 786 CA ARG A 54 14.935 -0.246 0.604 1.00 0.00 C ATOM 787 C ARG A 54 14.291 1.141 0.536 1.00 0.00 C ATOM 788 O ARG A 54 14.210 1.848 1.521 1.00 0.00 O ATOM 789 CB ARG A 54 15.622 -0.585 -0.720 1.00 0.00 C ATOM 790 CG ARG A 54 16.661 0.490 -1.045 1.00 0.00 C ATOM 791 CD ARG A 54 17.598 -0.021 -2.140 1.00 0.00 C ATOM 792 NE ARG A 54 18.065 -1.350 -1.657 1.00 0.00 N ATOM 793 CZ ARG A 54 18.599 -1.463 -0.472 1.00 0.00 C ATOM 794 NH1 ARG A 54 19.458 -0.573 -0.056 1.00 0.00 N ATOM 795 NH2 ARG A 54 18.272 -2.465 0.298 1.00 0.00 N ATOM 0 H ARG A 54 14.032 -1.877 1.643 1.00 0.00 H new ATOM 0 HA ARG A 54 15.634 -0.209 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.102 -1.561 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.884 -0.646 -1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.165 1.403 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.232 0.741 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.079 -0.108 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.435 0.660 -2.293 1.00 0.00 H new ATOM 0 HE ARG A 54 17.967 -2.172 -2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.712 0.211 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.876 -0.661 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.599 -3.159 -0.027 1.00 0.00 H new ATOM 0 HH22 ARG A 54 18.689 -2.554 1.224 1.00 0.00 H new ATOM 809 N LYS A 55 13.846 1.545 -0.622 1.00 0.00 N ATOM 810 CA LYS A 55 13.224 2.894 -0.753 1.00 0.00 C ATOM 811 C LYS A 55 11.739 2.757 -1.073 1.00 0.00 C ATOM 812 O LYS A 55 11.140 3.621 -1.681 1.00 0.00 O ATOM 813 CB LYS A 55 13.963 3.559 -1.915 1.00 0.00 C ATOM 814 CG LYS A 55 13.738 2.749 -3.195 1.00 0.00 C ATOM 815 CD LYS A 55 12.800 3.515 -4.129 1.00 0.00 C ATOM 816 CE LYS A 55 12.218 2.553 -5.168 1.00 0.00 C ATOM 817 NZ LYS A 55 11.452 3.420 -6.107 1.00 0.00 N ATOM 0 H LYS A 55 13.886 1.000 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 55 13.300 3.477 0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.605 4.580 -2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.029 3.621 -1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.690 2.563 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.310 1.776 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.997 3.978 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.342 4.320 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.006 2.008 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.572 1.810 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.022 2.832 -6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.704 3.921 -5.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.094 4.113 -6.542 1.00 0.00 H new ATOM 831 N SER A 56 11.143 1.672 -0.670 1.00 0.00 N ATOM 832 CA SER A 56 9.695 1.464 -0.949 1.00 0.00 C ATOM 833 C SER A 56 9.484 1.183 -2.446 1.00 0.00 C ATOM 834 O SER A 56 9.612 2.064 -3.273 1.00 0.00 O ATOM 835 CB SER A 56 9.006 2.768 -0.541 1.00 0.00 C ATOM 836 OG SER A 56 8.771 3.561 -1.698 1.00 0.00 O ATOM 0 H SER A 56 11.597 0.916 -0.157 1.00 0.00 H new ATOM 0 HA SER A 56 9.290 0.612 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.064 2.552 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.628 3.315 0.168 1.00 0.00 H new ATOM 0 HG SER A 56 9.552 3.519 -2.288 1.00 0.00 H new ATOM 842 N ASN A 57 9.166 -0.035 -2.802 1.00 0.00 N ATOM 843 CA ASN A 57 8.954 -0.363 -4.250 1.00 0.00 C ATOM 844 C ASN A 57 7.512 -0.827 -4.490 1.00 0.00 C ATOM 845 O ASN A 57 7.117 -1.900 -4.080 1.00 0.00 O ATOM 846 CB ASN A 57 9.952 -1.492 -4.595 1.00 0.00 C ATOM 847 CG ASN A 57 10.462 -2.185 -3.328 1.00 0.00 C ATOM 848 OD1 ASN A 57 11.159 -1.590 -2.530 1.00 0.00 O ATOM 849 ND2 ASN A 57 10.139 -3.428 -3.112 1.00 0.00 N ATOM 0 H ASN A 57 9.044 -0.816 -2.158 1.00 0.00 H new ATOM 0 HA ASN A 57 9.119 0.512 -4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.469 -2.223 -5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.794 -1.080 -5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.471 -3.903 -2.273 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.554 -3.927 -3.782 1.00 0.00 H new ATOM 856 N PHE A 58 6.722 -0.020 -5.154 1.00 0.00 N ATOM 857 CA PHE A 58 5.301 -0.404 -5.425 1.00 0.00 C ATOM 858 C PHE A 58 4.868 0.138 -6.791 1.00 0.00 C ATOM 859 O PHE A 58 4.747 1.331 -6.990 1.00 0.00 O ATOM 860 CB PHE A 58 4.500 0.236 -4.282 1.00 0.00 C ATOM 861 CG PHE A 58 5.115 -0.201 -2.981 1.00 0.00 C ATOM 862 CD1 PHE A 58 6.183 0.514 -2.430 1.00 0.00 C ATOM 863 CD2 PHE A 58 4.618 -1.334 -2.327 1.00 0.00 C ATOM 864 CE1 PHE A 58 6.747 0.097 -1.220 1.00 0.00 C ATOM 865 CE2 PHE A 58 5.183 -1.751 -1.118 1.00 0.00 C ATOM 866 CZ PHE A 58 6.247 -1.033 -0.563 1.00 0.00 C ATOM 0 H PHE A 58 7.000 0.890 -5.521 1.00 0.00 H new ATOM 0 HA PHE A 58 5.149 -1.483 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.518 1.323 -4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.455 -0.070 -4.331 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.571 1.385 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.796 -1.887 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.571 0.649 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.799 -2.625 -0.614 1.00 0.00 H new ATOM 0 HZ PHE A 58 6.683 -1.351 0.373 1.00 0.00 H new ATOM 876 N ARG A 59 4.636 -0.737 -7.730 1.00 0.00 N ATOM 877 CA ARG A 59 4.207 -0.287 -9.094 1.00 0.00 C ATOM 878 C ARG A 59 2.706 -0.523 -9.254 1.00 0.00 C ATOM 879 O ARG A 59 2.265 -1.607 -9.581 1.00 0.00 O ATOM 880 CB ARG A 59 5.003 -1.119 -10.121 1.00 0.00 C ATOM 881 CG ARG A 59 5.604 -2.382 -9.482 1.00 0.00 C ATOM 882 CD ARG A 59 6.488 -3.101 -10.504 1.00 0.00 C ATOM 883 NE ARG A 59 7.881 -2.899 -10.013 1.00 0.00 N ATOM 884 CZ ARG A 59 8.633 -3.930 -9.742 1.00 0.00 C ATOM 885 NH1 ARG A 59 8.984 -4.751 -10.693 1.00 0.00 N ATOM 886 NH2 ARG A 59 9.036 -4.140 -8.519 1.00 0.00 N ATOM 0 H ARG A 59 4.724 -1.747 -7.616 1.00 0.00 H new ATOM 0 HA ARG A 59 4.400 0.775 -9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.349 -1.404 -10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.801 -0.509 -10.544 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.190 -2.114 -8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.808 -3.045 -9.144 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.240 -4.161 -10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.357 -2.685 -11.503 1.00 0.00 H new ATOM 0 HE ARG A 59 8.246 -1.955 -9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.670 -4.587 -11.650 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.572 -5.557 -10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.763 -3.498 -7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.624 -4.946 -8.307 1.00 0.00 H new ATOM 900 N VAL A 60 1.927 0.491 -8.993 1.00 0.00 N ATOM 901 CA VAL A 60 0.442 0.355 -9.073 1.00 0.00 C ATOM 902 C VAL A 60 -0.087 0.622 -10.483 1.00 0.00 C ATOM 903 O VAL A 60 0.469 1.385 -11.247 1.00 0.00 O ATOM 904 CB VAL A 60 -0.081 1.399 -8.079 1.00 0.00 C ATOM 905 CG1 VAL A 60 -0.207 2.769 -8.758 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.451 0.964 -7.552 1.00 0.00 C ATOM 0 H VAL A 60 2.258 1.418 -8.725 1.00 0.00 H new ATOM 0 HA VAL A 60 0.113 -0.657 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 60 0.624 1.479 -7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.579 3.499 -8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.770 3.085 -9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.901 2.698 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.822 1.707 -6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.149 0.874 -8.384 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.359 0.001 -7.050 1.00 0.00 H new ATOM 916 N GLN A 61 -1.175 -0.018 -10.813 1.00 0.00 N ATOM 917 CA GLN A 61 -1.793 0.158 -12.152 1.00 0.00 C ATOM 918 C GLN A 61 -3.238 -0.352 -12.104 1.00 0.00 C ATOM 919 O GLN A 61 -3.630 -1.027 -11.170 1.00 0.00 O ATOM 920 CB GLN A 61 -0.942 -0.693 -13.098 1.00 0.00 C ATOM 921 CG GLN A 61 -1.271 -2.174 -12.898 1.00 0.00 C ATOM 922 CD GLN A 61 -2.464 -2.556 -13.776 1.00 0.00 C ATOM 923 OE1 GLN A 61 -2.807 -1.843 -14.699 1.00 0.00 O ATOM 924 NE2 GLN A 61 -3.116 -3.659 -13.527 1.00 0.00 N ATOM 0 H GLN A 61 -1.668 -0.666 -10.199 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.823 1.198 -12.477 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.132 -0.405 -14.132 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.117 -0.517 -12.908 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.407 -2.787 -13.154 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.500 -2.368 -11.850 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.829 -4.258 -12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.913 -3.922 -14.107 1.00 0.00 H new ATOM 933 N LEU A 62 -4.032 -0.040 -13.090 1.00 0.00 N ATOM 934 CA LEU A 62 -5.446 -0.514 -13.081 1.00 0.00 C ATOM 935 C LEU A 62 -6.027 -0.485 -14.498 1.00 0.00 C ATOM 936 O LEU A 62 -6.056 0.541 -15.147 1.00 0.00 O ATOM 937 CB LEU A 62 -6.186 0.471 -12.174 1.00 0.00 C ATOM 938 CG LEU A 62 -7.041 -0.299 -11.162 1.00 0.00 C ATOM 939 CD1 LEU A 62 -6.148 -1.211 -10.317 1.00 0.00 C ATOM 940 CD2 LEU A 62 -7.759 0.694 -10.245 1.00 0.00 C ATOM 0 H LEU A 62 -3.765 0.521 -13.899 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.535 -1.541 -12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.471 1.106 -11.651 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.817 1.127 -12.773 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.773 -0.904 -11.697 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.761 -1.756 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.633 -1.919 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.414 -0.608 -9.783 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.368 0.149 -9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.022 1.298 -9.715 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.399 1.344 -10.842 1.00 0.00 H new