USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 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 37 TYR OH : rot 78:sc= 0.643 USER MOD Set 1.2: A 75 MET CE :methyl -130:sc= -0.341 (180deg=-6.57!) USER MOD Set 2.1: A 22 THR OG1 : rot -52:sc= 1.21 USER MOD Set 2.2: A 25 THR OG1 : rot -140:sc= 0.949 USER MOD Single : A 3 TYR OH : rot 0:sc= 0 USER MOD Single : A 13 MET CE :methyl -141:sc= -0.0964 (180deg=-0.386) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 5:sc= 0.261 USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= 0.651 (180deg=-0.0665) USER MOD Single : A 20 ASN : amide:sc= 0.506 K(o=0.51,f=-6.2!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.102 USER MOD Single : A 29 THR OG1 : rot 40:sc= 1.09 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0.596 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0299 USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0486) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-2.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -148:sc=-0.00762 (180deg=-1.06) USER MOD Single : A 88 GLN : amide:sc= 0.0283 K(o=0.028,f=-2.3) USER MOD Single : A 89 MET CE :methyl -177:sc= -0.47 (180deg=-0.48) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -4.899 16.350 3.508 1.00 0.00 N ATOM 30 CA TYR A 3 -5.702 15.178 3.191 1.00 0.00 C ATOM 31 C TYR A 3 -7.176 15.515 2.934 1.00 0.00 C ATOM 32 O TYR A 3 -7.569 16.680 2.884 1.00 0.00 O ATOM 33 CB TYR A 3 -5.537 14.126 4.297 1.00 0.00 C ATOM 34 CG TYR A 3 -4.091 13.752 4.522 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.315 14.473 5.441 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.521 12.693 3.798 1.00 0.00 C ATOM 37 CE1 TYR A 3 -1.960 14.155 5.626 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.172 12.360 3.985 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.383 13.101 4.887 1.00 0.00 C ATOM 40 OH TYR A 3 -0.065 12.799 5.046 1.00 0.00 O ATOM 0 HA TYR A 3 -5.334 14.764 2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.959 14.509 5.226 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.104 13.233 4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.761 15.276 6.009 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.122 12.134 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.363 14.715 6.331 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.738 11.536 3.438 1.00 0.00 H new ATOM 0 HH TYR A 3 0.333 13.406 5.705 1.00 0.00 H new ATOM 50 N GLY A 4 -7.993 14.475 2.763 1.00 0.00 N ATOM 51 CA GLY A 4 -9.409 14.640 2.503 1.00 0.00 C ATOM 52 C GLY A 4 -10.139 13.310 2.552 1.00 0.00 C ATOM 53 O GLY A 4 -9.508 12.253 2.600 1.00 0.00 O ATOM 0 H GLY A 4 -7.686 13.503 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.839 15.320 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.550 15.098 1.524 1.00 0.00 H new ATOM 57 N ARG A 5 -11.474 13.357 2.537 1.00 0.00 N ATOM 58 CA ARG A 5 -12.320 12.180 2.571 1.00 0.00 C ATOM 59 C ARG A 5 -11.990 11.231 1.417 1.00 0.00 C ATOM 60 O ARG A 5 -11.515 11.665 0.365 1.00 0.00 O ATOM 61 CB ARG A 5 -13.791 12.623 2.538 1.00 0.00 C ATOM 62 CG ARG A 5 -14.139 13.332 1.225 1.00 0.00 C ATOM 63 CD ARG A 5 -15.572 13.851 1.275 1.00 0.00 C ATOM 64 NE ARG A 5 -15.951 14.501 0.019 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.040 15.261 -0.127 1.00 0.00 C ATOM 66 NH1 ARG A 5 -17.871 15.460 0.893 1.00 0.00 N ATOM 67 NH2 ARG A 5 -17.306 15.828 -1.299 1.00 0.00 N ATOM 0 H ARG A 5 -11.997 14.232 2.500 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.138 11.627 3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.436 11.753 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.989 13.291 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.450 14.159 1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.022 12.643 0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.253 13.024 1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.675 14.558 2.098 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.348 14.366 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.680 15.030 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.699 16.042 0.770 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.678 15.683 -2.090 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.138 16.408 -1.408 1.00 0.00 H new ATOM 81 N PRO A 6 -12.240 9.936 1.615 1.00 0.00 N ATOM 82 CA PRO A 6 -12.001 8.892 0.629 1.00 0.00 C ATOM 83 C PRO A 6 -12.996 9.009 -0.525 1.00 0.00 C ATOM 84 O PRO A 6 -14.052 9.625 -0.370 1.00 0.00 O ATOM 85 CB PRO A 6 -12.181 7.580 1.395 1.00 0.00 C ATOM 86 CG PRO A 6 -13.180 7.949 2.493 1.00 0.00 C ATOM 87 CD PRO A 6 -12.795 9.388 2.832 1.00 0.00 C ATOM 0 HA PRO A 6 -11.010 8.960 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.564 6.788 0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.238 7.224 1.811 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.210 7.878 2.143 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.091 7.292 3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.663 9.960 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.068 9.419 3.644 1.00 0.00 H new ATOM 95 N PRO A 7 -12.675 8.421 -1.687 1.00 0.00 N ATOM 96 CA PRO A 7 -13.555 8.390 -2.845 1.00 0.00 C ATOM 97 C PRO A 7 -14.951 7.866 -2.505 1.00 0.00 C ATOM 98 O PRO A 7 -15.118 7.092 -1.563 1.00 0.00 O ATOM 99 CB PRO A 7 -12.864 7.469 -3.856 1.00 0.00 C ATOM 100 CG PRO A 7 -11.389 7.588 -3.487 1.00 0.00 C ATOM 101 CD PRO A 7 -11.421 7.751 -1.971 1.00 0.00 C ATOM 0 HA PRO A 7 -13.711 9.395 -3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.218 6.442 -3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.049 7.787 -4.882 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.827 6.703 -3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.920 8.443 -3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.369 6.784 -1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.572 8.338 -1.620 1.00 0.00 H new ATOM 109 N PRO A 8 -15.965 8.283 -3.272 1.00 0.00 N ATOM 110 CA PRO A 8 -17.348 7.876 -3.091 1.00 0.00 C ATOM 111 C PRO A 8 -17.622 6.487 -3.670 1.00 0.00 C ATOM 112 O PRO A 8 -18.779 6.079 -3.765 1.00 0.00 O ATOM 113 CB PRO A 8 -18.154 8.931 -3.844 1.00 0.00 C ATOM 114 CG PRO A 8 -17.233 9.285 -5.011 1.00 0.00 C ATOM 115 CD PRO A 8 -15.842 9.210 -4.379 1.00 0.00 C ATOM 0 HA PRO A 8 -17.607 7.809 -2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.112 8.540 -4.188 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.369 9.798 -3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.340 8.583 -5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.445 10.278 -5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.102 8.863 -5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.515 10.191 -4.034 1.00 0.00 H new ATOM 123 N ASP A 9 -16.580 5.750 -4.071 1.00 0.00 N ATOM 124 CA ASP A 9 -16.747 4.477 -4.760 1.00 0.00 C ATOM 125 C ASP A 9 -15.738 3.436 -4.269 1.00 0.00 C ATOM 126 O ASP A 9 -15.417 2.493 -4.988 1.00 0.00 O ATOM 127 CB ASP A 9 -16.643 4.714 -6.269 1.00 0.00 C ATOM 128 CG ASP A 9 -17.141 3.520 -7.077 1.00 0.00 C ATOM 129 OD1 ASP A 9 -18.095 2.855 -6.617 1.00 0.00 O ATOM 130 OD2 ASP A 9 -16.562 3.281 -8.159 1.00 0.00 O ATOM 0 H ASP A 9 -15.607 6.021 -3.926 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.733 4.069 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.222 5.598 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.605 4.921 -6.532 1.00 0.00 H new ATOM 135 N VAL A 10 -15.234 3.602 -3.042 1.00 0.00 N ATOM 136 CA VAL A 10 -14.323 2.642 -2.413 1.00 0.00 C ATOM 137 C VAL A 10 -15.005 1.299 -2.135 1.00 0.00 C ATOM 138 O VAL A 10 -14.463 0.468 -1.412 1.00 0.00 O ATOM 139 CB VAL A 10 -13.741 3.208 -1.117 1.00 0.00 C ATOM 140 CG1 VAL A 10 -12.900 4.451 -1.405 1.00 0.00 C ATOM 141 CG2 VAL A 10 -14.841 3.553 -0.112 1.00 0.00 C ATOM 0 H VAL A 10 -15.447 4.409 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.513 2.467 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.107 2.436 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.494 4.840 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.081 4.189 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.524 5.212 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.391 3.952 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.508 4.298 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.409 2.654 0.129 1.00 0.00 H new ATOM 151 N GLU A 11 -16.192 1.084 -2.706 1.00 0.00 N ATOM 152 CA GLU A 11 -16.971 -0.132 -2.521 1.00 0.00 C ATOM 153 C GLU A 11 -17.293 -0.752 -3.880 1.00 0.00 C ATOM 154 O GLU A 11 -18.109 -1.670 -3.980 1.00 0.00 O ATOM 155 CB GLU A 11 -18.256 0.189 -1.753 1.00 0.00 C ATOM 156 CG GLU A 11 -17.935 0.888 -0.434 1.00 0.00 C ATOM 157 CD GLU A 11 -19.200 1.110 0.387 1.00 0.00 C ATOM 158 OE1 GLU A 11 -19.889 2.124 0.125 1.00 0.00 O ATOM 159 OE2 GLU A 11 -19.475 0.267 1.270 1.00 0.00 O ATOM 0 H GLU A 11 -16.642 1.764 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.392 -0.851 -1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.900 0.825 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.809 -0.730 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.227 0.288 0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.453 1.845 -0.633 1.00 0.00 H new ATOM 166 N GLY A 12 -16.641 -0.244 -4.931 1.00 0.00 N ATOM 167 CA GLY A 12 -16.832 -0.690 -6.301 1.00 0.00 C ATOM 168 C GLY A 12 -15.523 -0.656 -7.089 1.00 0.00 C ATOM 169 O GLY A 12 -15.546 -0.675 -8.320 1.00 0.00 O ATOM 0 H GLY A 12 -15.953 0.504 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.232 -1.704 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.570 -0.055 -6.792 1.00 0.00 H new ATOM 173 N MET A 13 -14.383 -0.603 -6.389 1.00 0.00 N ATOM 174 CA MET A 13 -13.058 -0.571 -7.000 1.00 0.00 C ATOM 175 C MET A 13 -12.090 -1.439 -6.196 1.00 0.00 C ATOM 176 O MET A 13 -12.432 -1.925 -5.116 1.00 0.00 O ATOM 177 CB MET A 13 -12.528 0.866 -7.037 1.00 0.00 C ATOM 178 CG MET A 13 -13.420 1.794 -7.864 1.00 0.00 C ATOM 179 SD MET A 13 -12.727 3.453 -8.123 1.00 0.00 S ATOM 180 CE MET A 13 -12.546 3.997 -6.405 1.00 0.00 C ATOM 0 H MET A 13 -14.360 -0.581 -5.369 1.00 0.00 H new ATOM 0 HA MET A 13 -13.137 -0.956 -8.017 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.454 1.249 -6.019 1.00 0.00 H new ATOM 0 HB3 MET A 13 -11.521 0.868 -7.453 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.604 1.333 -8.835 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.386 1.889 -7.368 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.812 5.051 -6.327 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.204 3.409 -5.766 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.513 3.859 -6.087 1.00 0.00 H new ATOM 190 N THR A 14 -10.876 -1.629 -6.721 1.00 0.00 N ATOM 191 CA THR A 14 -9.819 -2.351 -6.027 1.00 0.00 C ATOM 192 C THR A 14 -9.445 -1.591 -4.753 1.00 0.00 C ATOM 193 O THR A 14 -9.710 -0.397 -4.637 1.00 0.00 O ATOM 194 CB THR A 14 -8.609 -2.494 -6.962 1.00 0.00 C ATOM 195 OG1 THR A 14 -8.998 -3.186 -8.131 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.463 -3.271 -6.314 1.00 0.00 C ATOM 0 H THR A 14 -10.603 -1.284 -7.641 1.00 0.00 H new ATOM 0 HA THR A 14 -10.159 -3.348 -5.747 1.00 0.00 H new ATOM 0 HB THR A 14 -8.260 -1.487 -7.191 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.227 -3.276 -8.729 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.631 -3.345 -7.015 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.134 -2.751 -5.414 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.805 -4.272 -6.050 1.00 0.00 H new ATOM 203 N SER A 15 -8.827 -2.285 -3.796 1.00 0.00 N ATOM 204 CA SER A 15 -8.359 -1.690 -2.549 1.00 0.00 C ATOM 205 C SER A 15 -7.150 -2.466 -2.053 1.00 0.00 C ATOM 206 O SER A 15 -7.221 -3.683 -1.898 1.00 0.00 O ATOM 207 CB SER A 15 -9.469 -1.740 -1.495 1.00 0.00 C ATOM 208 OG SER A 15 -10.515 -0.861 -1.835 1.00 0.00 O ATOM 0 H SER A 15 -8.637 -3.285 -3.868 1.00 0.00 H new ATOM 0 HA SER A 15 -8.085 -0.649 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.853 -2.757 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.064 -1.472 -0.519 1.00 0.00 H new ATOM 0 HG SER A 15 -10.340 -0.470 -2.717 1.00 0.00 H new ATOM 214 N LEU A 16 -6.043 -1.761 -1.805 1.00 0.00 N ATOM 215 CA LEU A 16 -4.819 -2.381 -1.313 1.00 0.00 C ATOM 216 C LEU A 16 -4.307 -1.663 -0.070 1.00 0.00 C ATOM 217 O LEU A 16 -3.647 -0.629 -0.189 1.00 0.00 O ATOM 218 CB LEU A 16 -3.752 -2.356 -2.408 1.00 0.00 C ATOM 219 CG LEU A 16 -2.494 -3.116 -1.973 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.657 -4.608 -2.238 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.300 -2.606 -2.769 1.00 0.00 C ATOM 0 H LEU A 16 -5.974 -0.752 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.039 -3.414 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.152 -2.801 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.493 -1.324 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.338 -2.955 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.755 -5.134 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.512 -4.986 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.821 -4.773 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.402 -3.144 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.476 -2.768 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.166 -1.541 -2.582 1.00 0.00 H new ATOM 233 N LYS A 17 -4.618 -2.216 1.109 1.00 0.00 N ATOM 234 CA LYS A 17 -4.175 -1.692 2.392 1.00 0.00 C ATOM 235 C LYS A 17 -2.662 -1.816 2.541 1.00 0.00 C ATOM 236 O LYS A 17 -2.047 -2.741 2.013 1.00 0.00 O ATOM 237 CB LYS A 17 -4.925 -2.413 3.508 1.00 0.00 C ATOM 238 CG LYS A 17 -4.346 -2.202 4.908 1.00 0.00 C ATOM 239 CD LYS A 17 -5.359 -2.775 5.902 1.00 0.00 C ATOM 240 CE LYS A 17 -4.898 -2.664 7.352 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.686 -1.260 7.753 1.00 0.00 N ATOM 0 H LYS A 17 -5.194 -3.054 1.192 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.403 -0.628 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.963 -2.079 3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.933 -3.481 3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.383 -2.703 5.007 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.175 -1.143 5.099 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.308 -2.252 5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.541 -3.823 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.641 -3.121 8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.972 -3.223 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.924 -1.146 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.690 -1.003 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.294 -0.640 7.181 1.00 0.00 H new ATOM 255 N VAL A 18 -2.075 -0.873 3.278 1.00 0.00 N ATOM 256 CA VAL A 18 -0.658 -0.862 3.626 1.00 0.00 C ATOM 257 C VAL A 18 -0.550 -0.555 5.110 1.00 0.00 C ATOM 258 O VAL A 18 -1.185 0.389 5.581 1.00 0.00 O ATOM 259 CB VAL A 18 0.042 0.243 2.836 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.487 0.410 3.296 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.010 -0.014 1.331 1.00 0.00 C ATOM 0 H VAL A 18 -2.586 -0.077 3.658 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.196 -1.822 3.395 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.509 1.163 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.963 1.202 2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.504 0.672 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.027 -0.524 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.520 0.798 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.512 -0.956 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.025 -0.067 0.993 1.00 0.00 H new ATOM 271 N ASP A 19 0.250 -1.351 5.826 1.00 0.00 N ATOM 272 CA ASP A 19 0.389 -1.292 7.278 1.00 0.00 C ATOM 273 C ASP A 19 1.767 -1.794 7.721 1.00 0.00 C ATOM 274 O ASP A 19 2.655 -1.992 6.897 1.00 0.00 O ATOM 275 CB ASP A 19 -0.735 -2.111 7.916 1.00 0.00 C ATOM 276 CG ASP A 19 -0.641 -3.598 7.583 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.077 -3.972 6.472 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.132 -4.346 8.445 1.00 0.00 O ATOM 0 H ASP A 19 0.832 -2.071 5.398 1.00 0.00 H new ATOM 0 HA ASP A 19 0.309 -0.256 7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.704 -1.982 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.697 -1.727 7.577 1.00 0.00 H new ATOM 283 N ASN A 20 1.922 -1.993 9.036 1.00 0.00 N ATOM 284 CA ASN A 20 3.187 -2.272 9.704 1.00 0.00 C ATOM 285 C ASN A 20 4.247 -1.225 9.379 1.00 0.00 C ATOM 286 O ASN A 20 4.896 -1.277 8.336 1.00 0.00 O ATOM 287 CB ASN A 20 3.687 -3.690 9.410 1.00 0.00 C ATOM 288 CG ASN A 20 4.775 -4.087 10.400 1.00 0.00 C ATOM 289 OD1 ASN A 20 5.239 -3.273 11.201 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.195 -5.344 10.353 1.00 0.00 N ATOM 0 H ASN A 20 1.135 -1.962 9.684 1.00 0.00 H new ATOM 0 HA ASN A 20 2.996 -2.213 10.776 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.857 -4.394 9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.076 -3.742 8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.923 -5.663 10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.790 -5.992 9.678 1.00 0.00 H new ATOM 297 N LEU A 21 4.413 -0.266 10.291 1.00 0.00 N ATOM 298 CA LEU A 21 5.428 0.775 10.187 1.00 0.00 C ATOM 299 C LEU A 21 5.955 1.168 11.573 1.00 0.00 C ATOM 300 O LEU A 21 5.455 0.682 12.587 1.00 0.00 O ATOM 301 CB LEU A 21 4.868 1.964 9.402 1.00 0.00 C ATOM 302 CG LEU A 21 3.495 2.452 9.885 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.526 3.054 11.283 1.00 0.00 C ATOM 304 CD2 LEU A 21 2.996 3.528 8.932 1.00 0.00 C ATOM 0 H LEU A 21 3.839 -0.192 11.131 1.00 0.00 H new ATOM 0 HA LEU A 21 6.287 0.394 9.635 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.576 2.790 9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.792 1.687 8.351 1.00 0.00 H new ATOM 0 HG LEU A 21 2.842 1.579 9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.523 3.378 11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.876 2.305 11.994 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.201 3.910 11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.021 3.884 9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.701 4.359 8.921 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.909 3.113 7.928 1.00 0.00 H new ATOM 316 N THR A 22 6.961 2.044 11.624 1.00 0.00 N ATOM 317 CA THR A 22 7.617 2.398 12.879 1.00 0.00 C ATOM 318 C THR A 22 6.846 3.478 13.628 1.00 0.00 C ATOM 319 O THR A 22 5.929 4.100 13.092 1.00 0.00 O ATOM 320 CB THR A 22 9.039 2.908 12.626 1.00 0.00 C ATOM 321 OG1 THR A 22 8.993 4.179 12.018 1.00 0.00 O ATOM 322 CG2 THR A 22 9.838 1.956 11.744 1.00 0.00 C ATOM 0 H THR A 22 7.338 2.522 10.805 1.00 0.00 H new ATOM 0 HA THR A 22 7.648 1.492 13.484 1.00 0.00 H new ATOM 0 HB THR A 22 9.539 2.972 13.593 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.416 4.142 11.227 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.840 2.357 11.590 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.907 0.982 12.229 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.339 1.847 10.781 1.00 0.00 H new ATOM 329 N TYR A 23 7.231 3.708 14.883 1.00 0.00 N ATOM 330 CA TYR A 23 6.663 4.761 15.712 1.00 0.00 C ATOM 331 C TYR A 23 7.115 6.149 15.235 1.00 0.00 C ATOM 332 O TYR A 23 6.851 7.146 15.908 1.00 0.00 O ATOM 333 CB TYR A 23 7.060 4.505 17.168 1.00 0.00 C ATOM 334 CG TYR A 23 8.554 4.465 17.406 1.00 0.00 C ATOM 335 CD1 TYR A 23 9.259 3.256 17.266 1.00 0.00 C ATOM 336 CD2 TYR A 23 9.234 5.637 17.763 1.00 0.00 C ATOM 337 CE1 TYR A 23 10.644 3.225 17.473 1.00 0.00 C ATOM 338 CE2 TYR A 23 10.620 5.611 17.972 1.00 0.00 C ATOM 339 CZ TYR A 23 11.332 4.402 17.828 1.00 0.00 C ATOM 340 OH TYR A 23 12.678 4.379 18.032 1.00 0.00 O ATOM 0 H TYR A 23 7.953 3.162 15.353 1.00 0.00 H new ATOM 0 HA TYR A 23 5.576 4.746 15.630 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.624 5.284 17.794 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.627 3.558 17.490 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.733 2.352 16.999 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.689 6.562 17.877 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.185 2.297 17.360 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.142 6.516 18.243 1.00 0.00 H new ATOM 0 HH TYR A 23 12.988 5.278 18.269 1.00 0.00 H new ATOM 350 N ARG A 24 7.790 6.218 14.078 1.00 0.00 N ATOM 351 CA ARG A 24 8.298 7.459 13.506 1.00 0.00 C ATOM 352 C ARG A 24 7.853 7.643 12.056 1.00 0.00 C ATOM 353 O ARG A 24 8.063 8.716 11.493 1.00 0.00 O ATOM 354 CB ARG A 24 9.830 7.467 13.569 1.00 0.00 C ATOM 355 CG ARG A 24 10.376 7.488 14.996 1.00 0.00 C ATOM 356 CD ARG A 24 9.880 8.730 15.735 1.00 0.00 C ATOM 357 NE ARG A 24 10.563 8.885 17.026 1.00 0.00 N ATOM 358 CZ ARG A 24 9.958 9.228 18.171 1.00 0.00 C ATOM 359 NH1 ARG A 24 8.646 9.441 18.218 1.00 0.00 N ATOM 360 NH2 ARG A 24 10.678 9.359 19.284 1.00 0.00 N ATOM 0 H ARG A 24 7.998 5.397 13.510 1.00 0.00 H new ATOM 0 HA ARG A 24 7.890 8.283 14.091 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.213 6.586 13.054 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.204 8.338 13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.060 6.590 15.527 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.466 7.479 14.976 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.051 9.615 15.121 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.804 8.656 15.896 1.00 0.00 H new ATOM 0 HE ARG A 24 11.569 8.720 17.053 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.083 9.344 17.373 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.203 9.701 19.099 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.685 9.198 19.262 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.222 9.620 20.158 1.00 0.00 H new ATOM 374 N THR A 25 7.244 6.626 11.440 1.00 0.00 N ATOM 375 CA THR A 25 6.714 6.759 10.088 1.00 0.00 C ATOM 376 C THR A 25 5.518 7.713 10.108 1.00 0.00 C ATOM 377 O THR A 25 4.941 7.961 11.168 1.00 0.00 O ATOM 378 CB THR A 25 6.329 5.379 9.540 1.00 0.00 C ATOM 379 OG1 THR A 25 7.398 4.486 9.739 1.00 0.00 O ATOM 380 CG2 THR A 25 6.035 5.422 8.043 1.00 0.00 C ATOM 0 H THR A 25 7.108 5.706 11.858 1.00 0.00 H new ATOM 0 HA THR A 25 7.473 7.176 9.426 1.00 0.00 H new ATOM 0 HB THR A 25 5.432 5.057 10.069 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.492 3.908 8.953 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.767 4.424 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.208 6.106 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.920 5.766 7.508 1.00 0.00 H new ATOM 387 N SER A 26 5.135 8.247 8.949 1.00 0.00 N ATOM 388 CA SER A 26 4.065 9.234 8.852 1.00 0.00 C ATOM 389 C SER A 26 3.250 9.000 7.586 1.00 0.00 C ATOM 390 O SER A 26 3.723 8.340 6.660 1.00 0.00 O ATOM 391 CB SER A 26 4.690 10.631 8.832 1.00 0.00 C ATOM 392 OG SER A 26 5.364 10.876 10.050 1.00 0.00 O ATOM 0 H SER A 26 5.558 8.007 8.053 1.00 0.00 H new ATOM 0 HA SER A 26 3.397 9.143 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.387 10.715 7.998 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.916 11.383 8.678 1.00 0.00 H new ATOM 0 HG SER A 26 5.763 11.771 10.029 1.00 0.00 H new ATOM 398 N PRO A 27 2.024 9.533 7.510 1.00 0.00 N ATOM 399 CA PRO A 27 1.192 9.370 6.334 1.00 0.00 C ATOM 400 C PRO A 27 1.750 10.151 5.144 1.00 0.00 C ATOM 401 O PRO A 27 1.423 9.833 4.001 1.00 0.00 O ATOM 402 CB PRO A 27 -0.189 9.879 6.753 1.00 0.00 C ATOM 403 CG PRO A 27 0.119 10.888 7.858 1.00 0.00 C ATOM 404 CD PRO A 27 1.351 10.302 8.536 1.00 0.00 C ATOM 0 HA PRO A 27 1.152 8.333 6.001 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.714 10.345 5.919 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.822 9.069 7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.317 11.880 7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.714 10.988 8.554 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.997 11.089 8.925 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.073 9.672 9.381 1.00 0.00 H new ATOM 412 N ASP A 28 2.587 11.165 5.396 1.00 0.00 N ATOM 413 CA ASP A 28 3.180 11.951 4.324 1.00 0.00 C ATOM 414 C ASP A 28 4.243 11.140 3.590 1.00 0.00 C ATOM 415 O ASP A 28 4.380 11.262 2.374 1.00 0.00 O ATOM 416 CB ASP A 28 3.814 13.206 4.912 1.00 0.00 C ATOM 417 CG ASP A 28 4.387 14.109 3.823 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.577 14.756 3.124 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.632 14.146 3.694 1.00 0.00 O ATOM 0 H ASP A 28 2.864 11.455 6.334 1.00 0.00 H new ATOM 0 HA ASP A 28 2.399 12.226 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.069 13.756 5.487 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.606 12.924 5.605 1.00 0.00 H new ATOM 424 N THR A 29 4.996 10.307 4.317 1.00 0.00 N ATOM 425 CA THR A 29 5.966 9.454 3.653 1.00 0.00 C ATOM 426 C THR A 29 5.197 8.463 2.818 1.00 0.00 C ATOM 427 O THR A 29 5.467 8.335 1.633 1.00 0.00 O ATOM 428 CB THR A 29 6.872 8.684 4.621 1.00 0.00 C ATOM 429 OG1 THR A 29 6.260 8.503 5.881 1.00 0.00 O ATOM 430 CG2 THR A 29 8.171 9.455 4.843 1.00 0.00 C ATOM 0 H THR A 29 4.951 10.211 5.332 1.00 0.00 H new ATOM 0 HA THR A 29 6.620 10.092 3.058 1.00 0.00 H new ATOM 0 HB THR A 29 7.064 7.710 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.308 8.305 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.809 8.902 5.532 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.687 9.580 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.945 10.434 5.265 1.00 0.00 H new ATOM 437 N LEU A 30 4.239 7.758 3.419 1.00 0.00 N ATOM 438 CA LEU A 30 3.552 6.688 2.722 1.00 0.00 C ATOM 439 C LEU A 30 2.884 7.216 1.457 1.00 0.00 C ATOM 440 O LEU A 30 2.747 6.480 0.485 1.00 0.00 O ATOM 441 CB LEU A 30 2.543 6.024 3.645 1.00 0.00 C ATOM 442 CG LEU A 30 3.207 5.551 4.938 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.109 5.228 5.945 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.061 4.314 4.696 1.00 0.00 C ATOM 0 H LEU A 30 3.928 7.911 4.378 1.00 0.00 H new ATOM 0 HA LEU A 30 4.282 5.936 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.743 6.726 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.084 5.176 3.137 1.00 0.00 H new ATOM 0 HG LEU A 30 3.860 6.337 5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.559 4.888 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.514 6.122 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.467 4.443 5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.521 4.000 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.435 3.509 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.840 4.546 3.970 1.00 0.00 H new ATOM 456 N ARG A 31 2.466 8.485 1.450 1.00 0.00 N ATOM 457 CA ARG A 31 1.912 9.093 0.250 1.00 0.00 C ATOM 458 C ARG A 31 2.960 9.121 -0.856 1.00 0.00 C ATOM 459 O ARG A 31 2.653 8.750 -1.982 1.00 0.00 O ATOM 460 CB ARG A 31 1.414 10.506 0.579 1.00 0.00 C ATOM 461 CG ARG A 31 1.095 11.318 -0.680 1.00 0.00 C ATOM 462 CD ARG A 31 0.030 10.633 -1.538 1.00 0.00 C ATOM 463 NE ARG A 31 -0.066 11.274 -2.851 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.918 12.244 -3.188 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.792 12.735 -2.315 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.886 12.726 -4.425 1.00 0.00 N ATOM 0 H ARG A 31 2.503 9.104 2.260 1.00 0.00 H new ATOM 0 HA ARG A 31 1.068 8.501 -0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.521 10.439 1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.171 11.029 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.749 12.312 -0.395 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.004 11.453 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.277 9.578 -1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.935 10.679 -1.034 1.00 0.00 H new ATOM 0 HE ARG A 31 0.577 10.950 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.822 12.370 -1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.433 13.477 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.217 12.355 -5.100 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.530 13.468 -4.700 1.00 0.00 H new ATOM 480 N ARG A 32 4.189 9.553 -0.563 1.00 0.00 N ATOM 481 CA ARG A 32 5.198 9.735 -1.609 1.00 0.00 C ATOM 482 C ARG A 32 5.962 8.449 -1.910 1.00 0.00 C ATOM 483 O ARG A 32 6.202 8.126 -3.073 1.00 0.00 O ATOM 484 CB ARG A 32 6.173 10.824 -1.145 1.00 0.00 C ATOM 485 CG ARG A 32 7.232 11.113 -2.209 1.00 0.00 C ATOM 486 CD ARG A 32 8.193 12.177 -1.691 1.00 0.00 C ATOM 487 NE ARG A 32 9.215 12.501 -2.693 1.00 0.00 N ATOM 488 CZ ARG A 32 10.224 13.355 -2.490 1.00 0.00 C ATOM 489 NH1 ARG A 32 10.365 13.983 -1.328 1.00 0.00 N ATOM 490 NH2 ARG A 32 11.103 13.584 -3.461 1.00 0.00 N ATOM 0 H ARG A 32 4.507 9.781 0.379 1.00 0.00 H new ATOM 0 HA ARG A 32 4.694 10.024 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.621 11.737 -0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.659 10.510 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.778 10.201 -2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.756 11.454 -3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.637 13.077 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.673 11.824 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 32 9.152 12.045 -3.603 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.698 13.817 -0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.140 14.631 -1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.007 13.109 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.873 14.235 -3.308 1.00 0.00 H new ATOM 504 N VAL A 33 6.352 7.713 -0.869 1.00 0.00 N ATOM 505 CA VAL A 33 7.120 6.479 -0.994 1.00 0.00 C ATOM 506 C VAL A 33 6.330 5.399 -1.734 1.00 0.00 C ATOM 507 O VAL A 33 6.938 4.504 -2.312 1.00 0.00 O ATOM 508 CB VAL A 33 7.549 5.988 0.396 1.00 0.00 C ATOM 509 CG1 VAL A 33 8.291 7.081 1.168 1.00 0.00 C ATOM 510 CG2 VAL A 33 6.344 5.441 1.134 1.00 0.00 C ATOM 0 H VAL A 33 6.139 7.963 0.097 1.00 0.00 H new ATOM 0 HA VAL A 33 8.011 6.689 -1.586 1.00 0.00 H new ATOM 0 HB VAL A 33 8.264 5.172 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.581 6.701 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.183 7.376 0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.639 7.945 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.649 5.093 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.596 6.226 1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.919 4.610 0.571 1.00 0.00 H new ATOM 520 N PHE A 34 4.990 5.471 -1.723 1.00 0.00 N ATOM 521 CA PHE A 34 4.156 4.539 -2.478 1.00 0.00 C ATOM 522 C PHE A 34 3.598 5.155 -3.763 1.00 0.00 C ATOM 523 O PHE A 34 3.151 4.421 -4.641 1.00 0.00 O ATOM 524 CB PHE A 34 2.993 4.066 -1.612 1.00 0.00 C ATOM 525 CG PHE A 34 3.335 2.982 -0.616 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.785 3.314 0.670 1.00 0.00 C ATOM 527 CD2 PHE A 34 3.193 1.633 -0.977 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.103 2.303 1.587 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.494 0.623 -0.052 1.00 0.00 C ATOM 530 CZ PHE A 34 3.957 0.959 1.228 1.00 0.00 C ATOM 0 H PHE A 34 4.465 6.169 -1.196 1.00 0.00 H new ATOM 0 HA PHE A 34 4.794 3.701 -2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.592 4.922 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.199 3.701 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.887 4.351 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.852 1.373 -1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.461 2.562 2.572 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.369 -0.414 -0.326 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.201 0.181 1.936 1.00 0.00 H new ATOM 540 N GLU A 35 3.607 6.481 -3.908 1.00 0.00 N ATOM 541 CA GLU A 35 3.096 7.118 -5.120 1.00 0.00 C ATOM 542 C GLU A 35 3.928 6.730 -6.345 1.00 0.00 C ATOM 543 O GLU A 35 3.428 6.769 -7.469 1.00 0.00 O ATOM 544 CB GLU A 35 3.064 8.643 -4.931 1.00 0.00 C ATOM 545 CG GLU A 35 2.685 9.386 -6.204 1.00 0.00 C ATOM 546 CD GLU A 35 2.403 10.856 -5.913 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.289 11.143 -5.418 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.298 11.684 -6.186 1.00 0.00 O ATOM 0 H GLU A 35 3.960 7.130 -3.205 1.00 0.00 H new ATOM 0 HA GLU A 35 2.080 6.765 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.352 8.892 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.043 8.984 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.492 9.304 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.805 8.924 -6.651 1.00 0.00 H new ATOM 555 N LYS A 36 5.194 6.353 -6.140 1.00 0.00 N ATOM 556 CA LYS A 36 6.082 5.981 -7.235 1.00 0.00 C ATOM 557 C LYS A 36 5.649 4.673 -7.896 1.00 0.00 C ATOM 558 O LYS A 36 6.034 4.390 -9.028 1.00 0.00 O ATOM 559 CB LYS A 36 7.514 5.871 -6.706 1.00 0.00 C ATOM 560 CG LYS A 36 7.703 4.653 -5.798 1.00 0.00 C ATOM 561 CD LYS A 36 9.137 4.566 -5.279 1.00 0.00 C ATOM 562 CE LYS A 36 9.470 5.768 -4.396 1.00 0.00 C ATOM 563 NZ LYS A 36 10.842 5.669 -3.857 1.00 0.00 N ATOM 0 H LYS A 36 5.625 6.299 -5.217 1.00 0.00 H new ATOM 0 HA LYS A 36 6.032 6.756 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.206 5.807 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.766 6.776 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.012 4.713 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.457 3.745 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.267 3.645 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.830 4.523 -6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.369 6.687 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.757 5.828 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.042 6.498 -3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.929 4.804 -3.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.522 5.636 -4.643 1.00 0.00 H new ATOM 577 N TYR A 37 4.847 3.884 -7.179 1.00 0.00 N ATOM 578 CA TYR A 37 4.330 2.616 -7.677 1.00 0.00 C ATOM 579 C TYR A 37 3.124 2.833 -8.589 1.00 0.00 C ATOM 580 O TYR A 37 2.698 1.899 -9.267 1.00 0.00 O ATOM 581 CB TYR A 37 3.963 1.709 -6.500 1.00 0.00 C ATOM 582 CG TYR A 37 5.172 1.287 -5.695 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.778 2.191 -4.812 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.689 -0.005 -5.840 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.913 1.815 -4.086 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.822 -0.393 -5.108 1.00 0.00 C ATOM 587 CZ TYR A 37 7.446 0.520 -4.235 1.00 0.00 C ATOM 588 OH TYR A 37 8.559 0.144 -3.545 1.00 0.00 O ATOM 0 H TYR A 37 4.539 4.111 -6.233 1.00 0.00 H new ATOM 0 HA TYR A 37 5.107 2.132 -8.269 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.261 2.230 -5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.452 0.822 -6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.367 3.182 -4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.217 -0.703 -6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.380 2.517 -3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.216 -1.393 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 37 8.315 -0.064 -2.619 1.00 0.00 H new ATOM 598 N GLY A 38 2.579 4.053 -8.608 1.00 0.00 N ATOM 599 CA GLY A 38 1.484 4.405 -9.504 1.00 0.00 C ATOM 600 C GLY A 38 0.713 5.594 -8.952 1.00 0.00 C ATOM 601 O GLY A 38 0.938 6.735 -9.354 1.00 0.00 O ATOM 0 H GLY A 38 2.885 4.817 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.876 4.644 -10.492 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.815 3.553 -9.624 1.00 0.00 H new ATOM 605 N ARG A 39 -0.202 5.299 -8.024 1.00 0.00 N ATOM 606 CA ARG A 39 -0.948 6.296 -7.273 1.00 0.00 C ATOM 607 C ARG A 39 -1.462 5.624 -6.012 1.00 0.00 C ATOM 608 O ARG A 39 -2.154 4.608 -6.092 1.00 0.00 O ATOM 609 CB ARG A 39 -2.092 6.860 -8.133 1.00 0.00 C ATOM 610 CG ARG A 39 -3.209 5.838 -8.371 1.00 0.00 C ATOM 611 CD ARG A 39 -4.153 6.298 -9.487 1.00 0.00 C ATOM 612 NE ARG A 39 -3.473 6.313 -10.791 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.061 5.218 -11.437 1.00 0.00 C ATOM 614 NH1 ARG A 39 -3.299 4.003 -10.943 1.00 0.00 N ATOM 615 NH2 ARG A 39 -2.409 5.325 -12.589 1.00 0.00 N ATOM 0 H ARG A 39 -0.445 4.340 -7.774 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.316 7.141 -7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.509 7.741 -7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.693 7.187 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.773 4.874 -8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.774 5.692 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.016 5.634 -9.532 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.530 7.295 -9.259 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.305 7.218 -11.231 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.801 3.900 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.979 3.176 -11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.221 6.246 -12.985 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.097 4.486 -13.078 1.00 0.00 H new ATOM 629 N VAL A 40 -1.136 6.176 -4.845 1.00 0.00 N ATOM 630 CA VAL A 40 -1.576 5.597 -3.578 1.00 0.00 C ATOM 631 C VAL A 40 -3.095 5.488 -3.506 1.00 0.00 C ATOM 632 O VAL A 40 -3.600 4.689 -2.725 1.00 0.00 O ATOM 633 CB VAL A 40 -1.052 6.393 -2.382 1.00 0.00 C ATOM 634 CG1 VAL A 40 0.469 6.513 -2.468 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.676 7.786 -2.285 1.00 0.00 C ATOM 0 H VAL A 40 -0.571 7.020 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.157 4.592 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.336 5.848 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.838 7.081 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.913 5.518 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.742 7.026 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.269 8.308 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.448 8.351 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.757 7.694 -2.178 1.00 0.00 H new ATOM 645 N GLY A 41 -3.808 6.283 -4.315 1.00 0.00 N ATOM 646 CA GLY A 41 -5.261 6.279 -4.422 1.00 0.00 C ATOM 647 C GLY A 41 -5.930 6.902 -3.196 1.00 0.00 C ATOM 648 O GLY A 41 -6.795 7.763 -3.335 1.00 0.00 O ATOM 0 H GLY A 41 -3.368 6.967 -4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.560 6.827 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.612 5.254 -4.545 1.00 0.00 H new ATOM 652 N ASP A 42 -5.534 6.469 -2.004 1.00 0.00 N ATOM 653 CA ASP A 42 -6.007 6.990 -0.738 1.00 0.00 C ATOM 654 C ASP A 42 -4.939 6.713 0.313 1.00 0.00 C ATOM 655 O ASP A 42 -4.101 5.833 0.130 1.00 0.00 O ATOM 656 CB ASP A 42 -7.328 6.299 -0.389 1.00 0.00 C ATOM 657 CG ASP A 42 -7.927 6.807 0.916 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.715 7.999 1.229 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.600 5.995 1.586 1.00 0.00 O ATOM 0 H ASP A 42 -4.851 5.719 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.185 8.064 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.041 6.457 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.163 5.224 -0.315 1.00 0.00 H new ATOM 664 N VAL A 43 -4.964 7.462 1.415 1.00 0.00 N ATOM 665 CA VAL A 43 -3.951 7.365 2.457 1.00 0.00 C ATOM 666 C VAL A 43 -4.590 7.687 3.805 1.00 0.00 C ATOM 667 O VAL A 43 -5.066 8.802 4.020 1.00 0.00 O ATOM 668 CB VAL A 43 -2.771 8.293 2.109 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.232 9.690 1.681 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.785 8.404 3.279 1.00 0.00 C ATOM 0 H VAL A 43 -5.689 8.153 1.607 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.550 6.353 2.524 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.263 7.836 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.363 10.304 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.867 9.609 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.795 10.152 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.964 9.065 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.299 8.809 4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.390 7.416 3.517 1.00 0.00 H new ATOM 680 N TYR A 44 -4.602 6.708 4.715 1.00 0.00 N ATOM 681 CA TYR A 44 -5.191 6.906 6.032 1.00 0.00 C ATOM 682 C TYR A 44 -4.425 6.175 7.131 1.00 0.00 C ATOM 683 O TYR A 44 -3.694 5.222 6.872 1.00 0.00 O ATOM 684 CB TYR A 44 -6.657 6.491 6.015 1.00 0.00 C ATOM 685 CG TYR A 44 -7.429 7.175 7.119 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.412 8.574 7.196 1.00 0.00 C ATOM 687 CD2 TYR A 44 -8.153 6.427 8.059 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.102 9.232 8.222 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.863 7.079 9.076 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.829 8.485 9.169 1.00 0.00 C ATOM 691 OH TYR A 44 -9.492 9.134 10.165 1.00 0.00 O ATOM 0 H TYR A 44 -4.212 5.778 4.560 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.124 7.968 6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.098 6.741 5.050 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.733 5.410 6.130 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.865 9.147 6.462 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.163 5.349 7.999 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.077 10.310 8.287 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.436 6.504 9.788 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.946 8.480 10.736 1.00 0.00 H new ATOM 701 N ILE A 45 -4.615 6.637 8.370 1.00 0.00 N ATOM 702 CA ILE A 45 -4.087 6.036 9.587 1.00 0.00 C ATOM 703 C ILE A 45 -5.162 6.240 10.657 1.00 0.00 C ATOM 704 O ILE A 45 -5.207 7.286 11.303 1.00 0.00 O ATOM 705 CB ILE A 45 -2.755 6.679 10.006 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.660 6.439 8.956 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.310 6.061 11.335 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.357 7.150 9.323 1.00 0.00 C ATOM 0 H ILE A 45 -5.165 7.476 8.555 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.869 4.978 9.438 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.906 7.754 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.476 5.369 8.861 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.005 6.791 7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.365 6.507 11.646 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.068 6.249 12.096 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.180 4.986 11.211 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.392 6.956 8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.535 8.223 9.393 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.002 6.779 10.283 1.00 0.00 H new ATOM 720 N PRO A 46 -6.039 5.246 10.855 1.00 0.00 N ATOM 721 CA PRO A 46 -7.189 5.323 11.741 1.00 0.00 C ATOM 722 C PRO A 46 -6.832 5.115 13.212 1.00 0.00 C ATOM 723 O PRO A 46 -7.710 4.818 14.025 1.00 0.00 O ATOM 724 CB PRO A 46 -8.105 4.209 11.255 1.00 0.00 C ATOM 725 CG PRO A 46 -7.125 3.130 10.804 1.00 0.00 C ATOM 726 CD PRO A 46 -5.995 3.954 10.189 1.00 0.00 C ATOM 0 HA PRO A 46 -7.643 6.313 11.704 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.762 3.852 12.048 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.745 4.541 10.437 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.777 2.522 11.639 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.574 2.450 10.080 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.031 3.469 10.340 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.132 4.064 9.113 1.00 0.00 H new ATOM 734 N ARG A 47 -5.547 5.267 13.552 1.00 0.00 N ATOM 735 CA ARG A 47 -4.992 5.032 14.880 1.00 0.00 C ATOM 736 C ARG A 47 -5.981 5.320 16.016 1.00 0.00 C ATOM 737 O ARG A 47 -6.388 4.395 16.715 1.00 0.00 O ATOM 738 CB ARG A 47 -3.676 5.807 15.004 1.00 0.00 C ATOM 739 CG ARG A 47 -3.755 7.252 14.495 1.00 0.00 C ATOM 740 CD ARG A 47 -2.352 7.858 14.433 1.00 0.00 C ATOM 741 NE ARG A 47 -2.344 9.102 13.656 1.00 0.00 N ATOM 742 CZ ARG A 47 -1.365 10.012 13.708 1.00 0.00 C ATOM 743 NH1 ARG A 47 -0.325 9.849 14.521 1.00 0.00 N ATOM 744 NH2 ARG A 47 -1.426 11.097 12.945 1.00 0.00 N ATOM 0 H ARG A 47 -4.842 5.569 12.880 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.784 3.968 14.991 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.369 5.817 16.050 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.901 5.279 14.449 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.215 7.274 13.507 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.388 7.845 15.155 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.993 8.055 15.443 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.663 7.142 13.985 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.134 9.285 13.037 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.267 9.022 15.115 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.414 10.551 14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.219 11.237 12.319 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.680 11.791 12.985 1.00 0.00 H new ATOM 758 N ASP A 48 -6.372 6.584 16.206 1.00 0.00 N ATOM 759 CA ASP A 48 -7.460 6.942 17.107 1.00 0.00 C ATOM 760 C ASP A 48 -7.945 8.340 16.730 1.00 0.00 C ATOM 761 O ASP A 48 -7.135 9.262 16.623 1.00 0.00 O ATOM 762 CB ASP A 48 -6.967 6.907 18.554 1.00 0.00 C ATOM 763 CG ASP A 48 -8.105 7.203 19.526 1.00 0.00 C ATOM 764 OD1 ASP A 48 -8.525 8.381 19.576 1.00 0.00 O ATOM 765 OD2 ASP A 48 -8.545 6.250 20.208 1.00 0.00 O ATOM 0 H ASP A 48 -5.942 7.382 15.739 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.283 6.233 17.018 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.542 5.928 18.774 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.170 7.638 18.688 1.00 0.00 H new ATOM 770 N ARG A 49 -9.256 8.507 16.525 1.00 0.00 N ATOM 771 CA ARG A 49 -9.826 9.751 16.023 1.00 0.00 C ATOM 772 C ARG A 49 -9.865 10.869 17.072 1.00 0.00 C ATOM 773 O ARG A 49 -10.477 11.906 16.821 1.00 0.00 O ATOM 774 CB ARG A 49 -11.213 9.481 15.421 1.00 0.00 C ATOM 775 CG ARG A 49 -12.284 9.283 16.500 1.00 0.00 C ATOM 776 CD ARG A 49 -13.634 8.953 15.865 1.00 0.00 C ATOM 777 NE ARG A 49 -14.101 10.040 14.992 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.086 10.890 15.291 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.753 10.809 16.442 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.416 11.842 14.425 1.00 0.00 N ATOM 0 H ARG A 49 -9.948 7.780 16.704 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.164 10.121 15.239 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.497 10.314 14.778 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.167 8.593 14.790 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.986 8.478 17.172 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.371 10.187 17.103 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.550 8.032 15.288 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.371 8.772 16.648 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.638 10.153 14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.515 10.085 17.119 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.501 11.471 16.645 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.918 11.920 13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.168 12.495 14.647 1.00 0.00 H new ATOM 794 N TYR A 50 -9.233 10.686 18.234 1.00 0.00 N ATOM 795 CA TYR A 50 -9.256 11.691 19.292 1.00 0.00 C ATOM 796 C TYR A 50 -7.896 11.877 19.964 1.00 0.00 C ATOM 797 O TYR A 50 -7.643 12.928 20.548 1.00 0.00 O ATOM 798 CB TYR A 50 -10.228 11.282 20.400 1.00 0.00 C ATOM 799 CG TYR A 50 -11.585 10.786 19.968 1.00 0.00 C ATOM 800 CD1 TYR A 50 -12.555 11.678 19.491 1.00 0.00 C ATOM 801 CD2 TYR A 50 -11.872 9.418 20.076 1.00 0.00 C ATOM 802 CE1 TYR A 50 -13.830 11.204 19.144 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.143 8.936 19.732 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.127 9.833 19.267 1.00 0.00 C ATOM 805 OH TYR A 50 -15.361 9.367 18.927 1.00 0.00 O ATOM 0 H TYR A 50 -8.699 9.848 18.463 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.556 12.618 18.804 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.755 10.501 20.995 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.374 12.139 21.057 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.322 12.728 19.391 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.113 8.734 20.425 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.582 11.890 18.783 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.367 7.883 19.823 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.396 8.398 19.072 1.00 0.00 H new ATOM 815 N THR A 51 -7.018 10.871 19.889 1.00 0.00 N ATOM 816 CA THR A 51 -5.745 10.903 20.604 1.00 0.00 C ATOM 817 C THR A 51 -4.578 10.486 19.713 1.00 0.00 C ATOM 818 O THR A 51 -3.421 10.678 20.088 1.00 0.00 O ATOM 819 CB THR A 51 -5.821 9.982 21.826 1.00 0.00 C ATOM 820 OG1 THR A 51 -5.933 8.636 21.412 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.025 10.319 22.708 1.00 0.00 C ATOM 0 H THR A 51 -7.169 10.025 19.339 1.00 0.00 H new ATOM 0 HA THR A 51 -5.565 11.931 20.920 1.00 0.00 H new ATOM 0 HB THR A 51 -4.907 10.129 22.402 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.979 8.054 22.199 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.048 9.646 23.565 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.944 11.348 23.057 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.943 10.203 22.131 1.00 0.00 H new ATOM 828 N LYS A 52 -4.876 9.922 18.539 1.00 0.00 N ATOM 829 CA LYS A 52 -3.902 9.511 17.536 1.00 0.00 C ATOM 830 C LYS A 52 -2.675 8.792 18.110 1.00 0.00 C ATOM 831 O LYS A 52 -1.555 9.022 17.648 1.00 0.00 O ATOM 832 CB LYS A 52 -3.502 10.735 16.703 1.00 0.00 C ATOM 833 CG LYS A 52 -4.719 11.334 15.995 1.00 0.00 C ATOM 834 CD LYS A 52 -4.317 12.512 15.100 1.00 0.00 C ATOM 835 CE LYS A 52 -3.655 13.644 15.887 1.00 0.00 C ATOM 836 NZ LYS A 52 -4.582 14.249 16.862 1.00 0.00 N ATOM 0 H LYS A 52 -5.838 9.734 18.255 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.381 8.765 16.902 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.045 11.486 17.348 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.752 10.449 15.966 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.207 10.567 15.393 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.446 11.668 16.736 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.632 12.161 14.328 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.201 12.896 14.591 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.779 13.260 16.409 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.304 14.410 15.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.131 15.076 17.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.452 14.547 16.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.818 13.551 17.596 1.00 0.00 H new ATOM 850 N GLU A 53 -2.853 7.922 19.111 1.00 0.00 N ATOM 851 CA GLU A 53 -1.720 7.291 19.796 1.00 0.00 C ATOM 852 C GLU A 53 -1.272 5.987 19.136 1.00 0.00 C ATOM 853 O GLU A 53 -0.124 5.572 19.303 1.00 0.00 O ATOM 854 CB GLU A 53 -2.106 6.968 21.242 1.00 0.00 C ATOM 855 CG GLU A 53 -2.534 8.226 21.978 1.00 0.00 C ATOM 856 CD GLU A 53 -2.817 7.928 23.445 1.00 0.00 C ATOM 857 OE1 GLU A 53 -3.930 7.432 23.738 1.00 0.00 O ATOM 858 OE2 GLU A 53 -1.919 8.197 24.273 1.00 0.00 O ATOM 0 H GLU A 53 -3.768 7.640 19.463 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.897 8.004 19.745 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.918 6.241 21.253 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.261 6.510 21.756 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.752 8.981 21.901 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.426 8.641 21.509 1.00 0.00 H new ATOM 865 N SER A 54 -2.167 5.341 18.394 1.00 0.00 N ATOM 866 CA SER A 54 -1.918 4.036 17.782 1.00 0.00 C ATOM 867 C SER A 54 -1.149 4.158 16.467 1.00 0.00 C ATOM 868 O SER A 54 -1.452 3.463 15.502 1.00 0.00 O ATOM 869 CB SER A 54 -3.242 3.299 17.584 1.00 0.00 C ATOM 870 OG SER A 54 -3.917 3.200 18.820 1.00 0.00 O ATOM 0 H SER A 54 -3.097 5.712 18.198 1.00 0.00 H new ATOM 0 HA SER A 54 -1.288 3.457 18.457 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.861 3.830 16.861 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.059 2.304 17.177 1.00 0.00 H new ATOM 0 HG SER A 54 -4.767 2.729 18.692 1.00 0.00 H new ATOM 876 N ARG A 55 -0.152 5.051 16.424 1.00 0.00 N ATOM 877 CA ARG A 55 0.682 5.332 15.257 1.00 0.00 C ATOM 878 C ARG A 55 1.438 4.103 14.740 1.00 0.00 C ATOM 879 O ARG A 55 2.180 4.199 13.768 1.00 0.00 O ATOM 880 CB ARG A 55 1.652 6.453 15.650 1.00 0.00 C ATOM 881 CG ARG A 55 2.427 7.038 14.461 1.00 0.00 C ATOM 882 CD ARG A 55 3.301 8.192 14.945 1.00 0.00 C ATOM 883 NE ARG A 55 4.081 8.769 13.844 1.00 0.00 N ATOM 884 CZ ARG A 55 4.904 9.810 13.978 1.00 0.00 C ATOM 885 NH1 ARG A 55 5.079 10.396 15.159 1.00 0.00 N ATOM 886 NH2 ARG A 55 5.563 10.271 12.919 1.00 0.00 N ATOM 0 H ARG A 55 0.102 5.617 17.234 1.00 0.00 H new ATOM 0 HA ARG A 55 0.041 5.636 14.429 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.093 7.252 16.137 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.362 6.068 16.382 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.045 6.267 14.001 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.733 7.388 13.697 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.674 8.963 15.392 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.975 7.838 15.725 1.00 0.00 H new ATOM 0 HE ARG A 55 3.988 8.348 12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.580 10.050 15.979 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.712 11.191 15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.438 9.829 12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.193 11.067 13.017 1.00 0.00 H new ATOM 900 N GLY A 56 1.271 2.940 15.371 1.00 0.00 N ATOM 901 CA GLY A 56 2.001 1.730 15.017 1.00 0.00 C ATOM 902 C GLY A 56 1.622 1.122 13.662 1.00 0.00 C ATOM 903 O GLY A 56 2.213 0.119 13.273 1.00 0.00 O ATOM 0 H GLY A 56 0.620 2.814 16.146 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.068 1.955 15.013 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.836 0.983 15.793 1.00 0.00 H new ATOM 907 N PHE A 57 0.655 1.696 12.933 1.00 0.00 N ATOM 908 CA PHE A 57 0.226 1.143 11.655 1.00 0.00 C ATOM 909 C PHE A 57 -0.368 2.205 10.734 1.00 0.00 C ATOM 910 O PHE A 57 -0.386 3.388 11.060 1.00 0.00 O ATOM 911 CB PHE A 57 -0.779 0.019 11.906 1.00 0.00 C ATOM 912 CG PHE A 57 -2.128 0.531 12.345 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.318 1.002 13.651 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.187 0.550 11.432 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.569 1.495 14.038 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.434 1.051 11.817 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.630 1.520 13.122 1.00 0.00 C ATOM 0 H PHE A 57 0.159 2.543 13.212 1.00 0.00 H new ATOM 0 HA PHE A 57 1.103 0.746 11.144 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.897 -0.568 10.995 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.384 -0.652 12.669 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.501 0.985 14.357 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.041 0.177 10.429 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.718 1.857 15.045 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.247 1.076 11.107 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.596 1.900 13.422 1.00 0.00 H new ATOM 927 N ALA A 58 -0.855 1.760 9.571 1.00 0.00 N ATOM 928 CA ALA A 58 -1.463 2.621 8.571 1.00 0.00 C ATOM 929 C ALA A 58 -2.481 1.853 7.726 1.00 0.00 C ATOM 930 O ALA A 58 -2.720 0.663 7.944 1.00 0.00 O ATOM 931 CB ALA A 58 -0.373 3.198 7.667 1.00 0.00 C ATOM 0 H ALA A 58 -0.834 0.777 9.301 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.987 3.428 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.827 3.844 6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.329 3.777 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.158 2.385 7.172 1.00 0.00 H new ATOM 937 N PHE A 59 -3.075 2.551 6.759 1.00 0.00 N ATOM 938 CA PHE A 59 -4.059 2.027 5.830 1.00 0.00 C ATOM 939 C PHE A 59 -4.014 2.846 4.541 1.00 0.00 C ATOM 940 O PHE A 59 -4.989 3.504 4.182 1.00 0.00 O ATOM 941 CB PHE A 59 -5.441 2.097 6.491 1.00 0.00 C ATOM 942 CG PHE A 59 -6.492 1.221 5.849 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.385 0.802 4.513 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.595 0.822 6.611 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.362 -0.035 3.957 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.569 -0.017 6.056 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.448 -0.458 4.734 1.00 0.00 C ATOM 0 H PHE A 59 -2.871 3.538 6.600 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.846 0.988 5.579 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.342 1.814 7.539 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.787 3.131 6.471 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.548 1.126 3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.696 1.162 7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.277 -0.354 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.416 -0.325 6.651 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.189 -1.122 4.314 1.00 0.00 H new ATOM 957 N VAL A 60 -2.882 2.815 3.830 1.00 0.00 N ATOM 958 CA VAL A 60 -2.866 3.395 2.483 1.00 0.00 C ATOM 959 C VAL A 60 -3.723 2.475 1.618 1.00 0.00 C ATOM 960 O VAL A 60 -3.774 1.285 1.916 1.00 0.00 O ATOM 961 CB VAL A 60 -1.441 3.486 1.932 1.00 0.00 C ATOM 962 CG1 VAL A 60 -1.404 4.303 0.641 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.502 4.149 2.931 1.00 0.00 C ATOM 0 H VAL A 60 -2.000 2.413 4.147 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.255 4.413 2.492 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.115 2.464 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.380 4.352 0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.038 3.829 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.767 5.312 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.502 4.198 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.854 5.157 3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.480 3.566 3.852 1.00 0.00 H new ATOM 973 N ARG A 61 -4.392 2.976 0.574 1.00 0.00 N ATOM 974 CA ARG A 61 -5.320 2.151 -0.198 1.00 0.00 C ATOM 975 C ARG A 61 -5.317 2.522 -1.676 1.00 0.00 C ATOM 976 O ARG A 61 -5.890 3.536 -2.067 1.00 0.00 O ATOM 977 CB ARG A 61 -6.718 2.280 0.402 1.00 0.00 C ATOM 978 CG ARG A 61 -7.787 1.702 -0.537 1.00 0.00 C ATOM 979 CD ARG A 61 -9.154 1.670 0.140 1.00 0.00 C ATOM 980 NE ARG A 61 -9.471 2.946 0.787 1.00 0.00 N ATOM 981 CZ ARG A 61 -10.551 3.137 1.548 1.00 0.00 C ATOM 982 NH1 ARG A 61 -11.486 2.192 1.636 1.00 0.00 N ATOM 983 NH2 ARG A 61 -10.690 4.275 2.217 1.00 0.00 N ATOM 0 H ARG A 61 -4.308 3.939 0.249 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.995 1.112 -0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.754 1.761 1.360 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.935 3.330 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.841 2.303 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.504 0.694 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.920 1.437 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.174 0.872 0.882 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.833 3.730 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.378 1.318 1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.310 2.342 2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.974 4.998 2.148 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.513 4.427 2.800 1.00 0.00 H new ATOM 997 N PHE A 62 -4.668 1.682 -2.492 1.00 0.00 N ATOM 998 CA PHE A 62 -4.656 1.863 -3.945 1.00 0.00 C ATOM 999 C PHE A 62 -6.030 1.494 -4.503 1.00 0.00 C ATOM 1000 O PHE A 62 -6.812 0.849 -3.806 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.591 0.975 -4.590 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.160 1.330 -4.248 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.627 1.008 -2.990 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.351 1.968 -5.199 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.285 1.297 -2.697 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.008 2.253 -4.912 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.524 1.909 -3.666 1.00 0.00 C ATOM 0 H PHE A 62 -4.144 0.869 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.424 2.904 -4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.773 -0.058 -4.292 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.711 1.020 -5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.251 0.537 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.765 2.242 -6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.123 1.049 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.613 2.737 -5.651 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.562 2.115 -3.449 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.318 1.896 -5.750 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.617 1.671 -6.382 1.00 0.00 C ATOM 1019 C HIS A 63 -7.499 1.026 -7.763 1.00 0.00 C ATOM 1020 O HIS A 63 -8.504 0.872 -8.453 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.387 2.984 -6.521 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.592 3.716 -5.227 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.284 3.235 -4.117 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -8.127 4.970 -4.963 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.213 4.216 -3.201 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.530 5.268 -3.680 1.00 0.00 N ATOM 0 H HIS A 63 -5.652 2.387 -6.346 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.154 0.984 -5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.852 3.635 -7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.360 2.776 -6.966 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -9.746 2.331 -4.020 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.557 5.603 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.647 4.165 -2.213 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.285 0.644 -8.179 1.00 0.00 N ATOM 1035 CA ASP A 64 -6.077 -0.026 -9.456 1.00 0.00 C ATOM 1036 C ASP A 64 -5.187 -1.246 -9.243 1.00 0.00 C ATOM 1037 O ASP A 64 -4.142 -1.158 -8.600 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.467 0.953 -10.465 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.495 0.399 -11.888 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -5.025 -0.745 -12.082 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -5.989 1.122 -12.781 1.00 0.00 O ATOM 0 H ASP A 64 -5.431 0.792 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.030 -0.365 -9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.014 1.895 -10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.438 1.172 -10.181 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.614 -2.386 -9.787 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.979 -3.665 -9.526 1.00 0.00 C ATOM 1048 C LYS A 65 -3.552 -3.738 -10.058 1.00 0.00 C ATOM 1049 O LYS A 65 -2.729 -4.441 -9.484 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.831 -4.793 -10.123 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.881 -4.730 -11.653 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.765 -5.845 -12.218 1.00 0.00 C ATOM 1053 CE LYS A 65 -8.210 -5.681 -11.743 1.00 0.00 C ATOM 1054 NZ LYS A 65 -9.076 -6.724 -12.322 1.00 0.00 N ATOM 0 H LYS A 65 -6.411 -2.442 -10.421 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.912 -3.781 -8.444 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.425 -5.756 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.844 -4.731 -9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.266 -3.760 -11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.873 -4.820 -12.058 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.731 -5.827 -13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.381 -6.815 -11.903 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.248 -5.734 -10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.581 -4.696 -12.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.051 -6.592 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.056 -6.656 -13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.733 -7.661 -12.030 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.233 -3.026 -11.143 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.914 -3.164 -11.742 1.00 0.00 C ATOM 1070 C ARG A 66 -0.860 -2.514 -10.849 1.00 0.00 C ATOM 1071 O ARG A 66 0.213 -3.075 -10.629 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.942 -2.575 -13.157 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.902 -1.044 -13.164 1.00 0.00 C ATOM 1074 CD ARG A 66 -2.343 -0.502 -14.521 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.793 -0.650 -14.688 1.00 0.00 N ATOM 1076 CZ ARG A 66 -4.426 -0.692 -15.863 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.748 -0.599 -17.006 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.747 -0.828 -15.895 1.00 0.00 N ATOM 0 H ARG A 66 -3.855 -2.366 -11.610 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.642 -4.216 -11.827 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.092 -2.959 -13.722 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.844 -2.913 -13.668 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.553 -0.654 -12.381 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.892 -0.700 -12.939 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.067 0.549 -14.606 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.823 -1.034 -15.318 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.360 -0.727 -13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.734 -0.494 -16.990 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.243 -0.632 -17.897 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.274 -0.900 -15.024 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.235 -0.861 -16.790 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.175 -1.326 -10.329 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.270 -0.602 -9.462 1.00 0.00 C ATOM 1094 C ASP A 67 -0.286 -1.214 -8.065 1.00 0.00 C ATOM 1095 O ASP A 67 0.681 -1.092 -7.318 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.707 0.859 -9.408 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.754 1.462 -10.811 1.00 0.00 C ATOM 1098 OD1 ASP A 67 0.337 1.672 -11.387 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.880 1.707 -11.298 1.00 0.00 O ATOM 0 H ASP A 67 -2.060 -0.849 -10.501 1.00 0.00 H new ATOM 0 HA ASP A 67 0.747 -0.664 -9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.690 0.933 -8.942 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.016 1.427 -8.786 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.392 -1.884 -7.713 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.534 -2.521 -6.418 1.00 0.00 C ATOM 1106 C ALA A 68 -0.784 -3.852 -6.363 1.00 0.00 C ATOM 1107 O ALA A 68 -0.185 -4.176 -5.338 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.020 -2.757 -6.152 1.00 0.00 C ATOM 0 H ALA A 68 -2.203 -1.993 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.106 -1.868 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.144 -3.236 -5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.546 -1.803 -6.156 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.431 -3.401 -6.929 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.805 -4.631 -7.448 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.103 -5.905 -7.460 1.00 0.00 C ATOM 1116 C GLU A 69 1.405 -5.682 -7.433 1.00 0.00 C ATOM 1117 O GLU A 69 2.135 -6.493 -6.868 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.491 -6.726 -8.691 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.887 -7.332 -8.531 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.242 -8.193 -9.743 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.859 -9.385 -9.738 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.894 -7.659 -10.669 1.00 0.00 O ATOM 0 H GLU A 69 -1.294 -4.402 -8.314 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.393 -6.461 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.466 -6.092 -9.577 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.238 -7.521 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.925 -7.937 -7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.623 -6.537 -8.415 1.00 0.00 H new ATOM 1129 N ASP A 70 1.890 -4.587 -8.033 1.00 0.00 N ATOM 1130 CA ASP A 70 3.307 -4.268 -7.939 1.00 0.00 C ATOM 1131 C ASP A 70 3.658 -3.746 -6.546 1.00 0.00 C ATOM 1132 O ASP A 70 4.716 -4.067 -6.001 1.00 0.00 O ATOM 1133 CB ASP A 70 3.656 -3.191 -8.967 1.00 0.00 C ATOM 1134 CG ASP A 70 3.651 -3.723 -10.399 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.816 -4.950 -10.574 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.484 -2.885 -11.312 1.00 0.00 O ATOM 0 H ASP A 70 1.333 -3.926 -8.574 1.00 0.00 H new ATOM 0 HA ASP A 70 3.875 -5.178 -8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.942 -2.371 -8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.640 -2.781 -8.739 1.00 0.00 H new ATOM 1141 N ALA A 71 2.768 -2.939 -5.962 1.00 0.00 N ATOM 1142 CA ALA A 71 3.027 -2.322 -4.675 1.00 0.00 C ATOM 1143 C ALA A 71 3.228 -3.376 -3.591 1.00 0.00 C ATOM 1144 O ALA A 71 4.020 -3.170 -2.678 1.00 0.00 O ATOM 1145 CB ALA A 71 1.867 -1.401 -4.311 1.00 0.00 C ATOM 0 H ALA A 71 1.862 -2.702 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 71 3.945 -1.739 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.061 -0.937 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.765 -0.627 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.945 -1.980 -4.257 1.00 0.00 H new ATOM 1151 N MET A 72 2.524 -4.508 -3.675 1.00 0.00 N ATOM 1152 CA MET A 72 2.677 -5.545 -2.668 1.00 0.00 C ATOM 1153 C MET A 72 3.817 -6.496 -3.036 1.00 0.00 C ATOM 1154 O MET A 72 4.451 -7.064 -2.153 1.00 0.00 O ATOM 1155 CB MET A 72 1.363 -6.309 -2.485 1.00 0.00 C ATOM 1156 CG MET A 72 1.104 -7.204 -3.692 1.00 0.00 C ATOM 1157 SD MET A 72 -0.527 -7.978 -3.731 1.00 0.00 S ATOM 1158 CE MET A 72 -0.294 -8.992 -5.215 1.00 0.00 C ATOM 0 H MET A 72 1.857 -4.722 -4.416 1.00 0.00 H new ATOM 0 HA MET A 72 2.931 -5.071 -1.720 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.407 -6.912 -1.578 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.539 -5.606 -2.360 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.231 -6.612 -4.598 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.862 -7.987 -3.714 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.245 -9.095 -5.738 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.432 -8.514 -5.872 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.071 -9.978 -4.928 1.00 0.00 H new ATOM 1168 N ASP A 73 4.083 -6.668 -4.335 1.00 0.00 N ATOM 1169 CA ASP A 73 5.154 -7.540 -4.800 1.00 0.00 C ATOM 1170 C ASP A 73 6.527 -6.948 -4.476 1.00 0.00 C ATOM 1171 O ASP A 73 7.544 -7.628 -4.621 1.00 0.00 O ATOM 1172 CB ASP A 73 5.005 -7.756 -6.307 1.00 0.00 C ATOM 1173 CG ASP A 73 6.047 -8.733 -6.847 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.010 -9.908 -6.425 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.873 -8.298 -7.683 1.00 0.00 O ATOM 0 H ASP A 73 3.564 -6.209 -5.084 1.00 0.00 H new ATOM 0 HA ASP A 73 5.080 -8.498 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.006 -8.135 -6.523 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.102 -6.800 -6.822 1.00 0.00 H new ATOM 1180 N ALA A 74 6.568 -5.685 -4.036 1.00 0.00 N ATOM 1181 CA ALA A 74 7.825 -5.019 -3.720 1.00 0.00 C ATOM 1182 C ALA A 74 7.837 -4.355 -2.341 1.00 0.00 C ATOM 1183 O ALA A 74 8.891 -3.888 -1.907 1.00 0.00 O ATOM 1184 CB ALA A 74 8.069 -3.985 -4.810 1.00 0.00 C ATOM 0 H ALA A 74 5.740 -5.107 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 74 8.617 -5.767 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.004 -3.461 -4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.131 -4.484 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.247 -3.269 -4.823 1.00 0.00 H new ATOM 1190 N MET A 75 6.700 -4.306 -1.644 1.00 0.00 N ATOM 1191 CA MET A 75 6.658 -3.773 -0.284 1.00 0.00 C ATOM 1192 C MET A 75 6.182 -4.794 0.749 1.00 0.00 C ATOM 1193 O MET A 75 6.507 -4.648 1.926 1.00 0.00 O ATOM 1194 CB MET A 75 5.724 -2.568 -0.211 1.00 0.00 C ATOM 1195 CG MET A 75 6.156 -1.387 -1.079 1.00 0.00 C ATOM 1196 SD MET A 75 7.529 -0.415 -0.395 1.00 0.00 S ATOM 1197 CE MET A 75 6.901 1.246 -0.770 1.00 0.00 C ATOM 0 H MET A 75 5.800 -4.628 -1.999 1.00 0.00 H new ATOM 0 HA MET A 75 7.685 -3.494 -0.046 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.724 -2.879 -0.512 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.656 -2.237 0.825 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.445 -1.761 -2.061 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.300 -0.729 -1.228 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.677 1.824 -1.271 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.030 1.167 -1.421 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.618 1.746 0.156 1.00 0.00 H new ATOM 1207 N ASP A 76 5.420 -5.825 0.366 1.00 0.00 N ATOM 1208 CA ASP A 76 4.985 -6.803 1.354 1.00 0.00 C ATOM 1209 C ASP A 76 6.190 -7.594 1.863 1.00 0.00 C ATOM 1210 O ASP A 76 6.940 -8.173 1.077 1.00 0.00 O ATOM 1211 CB ASP A 76 3.939 -7.745 0.762 1.00 0.00 C ATOM 1212 CG ASP A 76 3.439 -8.743 1.806 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.229 -8.319 2.964 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.268 -9.927 1.437 1.00 0.00 O ATOM 0 H ASP A 76 5.104 -5.996 -0.588 1.00 0.00 H new ATOM 0 HA ASP A 76 4.527 -6.275 2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.100 -7.165 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.368 -8.283 -0.083 1.00 0.00 H new ATOM 1219 N GLY A 77 6.372 -7.609 3.184 1.00 0.00 N ATOM 1220 CA GLY A 77 7.462 -8.330 3.827 1.00 0.00 C ATOM 1221 C GLY A 77 8.794 -7.578 3.742 1.00 0.00 C ATOM 1222 O GLY A 77 9.808 -8.085 4.221 1.00 0.00 O ATOM 0 H GLY A 77 5.762 -7.118 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.212 -8.502 4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.571 -9.309 3.360 1.00 0.00 H new ATOM 1226 N ALA A 78 8.796 -6.383 3.144 1.00 0.00 N ATOM 1227 CA ALA A 78 9.990 -5.561 3.011 1.00 0.00 C ATOM 1228 C ALA A 78 10.401 -4.954 4.360 1.00 0.00 C ATOM 1229 O ALA A 78 9.823 -5.276 5.396 1.00 0.00 O ATOM 1230 CB ALA A 78 9.717 -4.468 1.975 1.00 0.00 C ATOM 0 H ALA A 78 7.961 -5.961 2.738 1.00 0.00 H new ATOM 0 HA ALA A 78 10.822 -6.181 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.603 -3.843 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.474 -4.927 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.879 -3.854 2.306 1.00 0.00 H new ATOM 1236 N VAL A 79 11.404 -4.067 4.334 1.00 0.00 N ATOM 1237 CA VAL A 79 11.960 -3.441 5.529 1.00 0.00 C ATOM 1238 C VAL A 79 12.123 -1.943 5.277 1.00 0.00 C ATOM 1239 O VAL A 79 12.438 -1.532 4.161 1.00 0.00 O ATOM 1240 CB VAL A 79 13.316 -4.081 5.855 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.962 -3.424 7.077 1.00 0.00 C ATOM 1242 CG2 VAL A 79 13.159 -5.577 6.124 1.00 0.00 C ATOM 0 H VAL A 79 11.854 -3.764 3.470 1.00 0.00 H new ATOM 0 HA VAL A 79 11.291 -3.589 6.376 1.00 0.00 H new ATOM 0 HB VAL A 79 13.958 -3.930 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.921 -3.900 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.118 -2.363 6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.308 -3.540 7.941 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.133 -6.010 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.488 -5.726 6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.744 -6.064 5.241 1.00 0.00 H new ATOM 1252 N LEU A 80 11.915 -1.138 6.320 1.00 0.00 N ATOM 1253 CA LEU A 80 12.063 0.311 6.245 1.00 0.00 C ATOM 1254 C LEU A 80 13.286 0.773 7.032 1.00 0.00 C ATOM 1255 O LEU A 80 14.176 1.414 6.476 1.00 0.00 O ATOM 1256 CB LEU A 80 10.800 0.954 6.819 1.00 0.00 C ATOM 1257 CG LEU A 80 10.971 2.449 7.091 1.00 0.00 C ATOM 1258 CD1 LEU A 80 11.312 3.210 5.815 1.00 0.00 C ATOM 1259 CD2 LEU A 80 9.675 2.979 7.683 1.00 0.00 C ATOM 0 H LEU A 80 11.639 -1.476 7.242 1.00 0.00 H new ATOM 0 HA LEU A 80 12.202 0.609 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.974 0.808 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.529 0.449 7.746 1.00 0.00 H new ATOM 0 HG LEU A 80 11.796 2.594 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.427 4.270 6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.243 2.825 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.510 3.080 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.776 4.045 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.860 2.819 6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.458 2.453 8.613 1.00 0.00 H new ATOM 1271 N ASP A 81 13.331 0.450 8.325 1.00 0.00 N ATOM 1272 CA ASP A 81 14.441 0.846 9.181 1.00 0.00 C ATOM 1273 C ASP A 81 14.978 -0.328 10.008 1.00 0.00 C ATOM 1274 O ASP A 81 15.976 -0.183 10.709 1.00 0.00 O ATOM 1275 CB ASP A 81 13.979 1.997 10.078 1.00 0.00 C ATOM 1276 CG ASP A 81 15.127 2.577 10.901 1.00 0.00 C ATOM 1277 OD1 ASP A 81 16.091 3.084 10.283 1.00 0.00 O ATOM 1278 OD2 ASP A 81 15.040 2.511 12.151 1.00 0.00 O ATOM 0 H ASP A 81 12.606 -0.087 8.801 1.00 0.00 H new ATOM 0 HA ASP A 81 15.270 1.178 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.541 2.783 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.196 1.643 10.748 1.00 0.00 H new ATOM 1283 N GLY A 82 14.329 -1.494 9.927 1.00 0.00 N ATOM 1284 CA GLY A 82 14.785 -2.690 10.628 1.00 0.00 C ATOM 1285 C GLY A 82 13.628 -3.623 10.985 1.00 0.00 C ATOM 1286 O GLY A 82 13.856 -4.783 11.320 1.00 0.00 O ATOM 0 H GLY A 82 13.481 -1.631 9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.502 -3.224 10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.309 -2.399 11.538 1.00 0.00 H new ATOM 1290 N ARG A 83 12.387 -3.125 10.918 1.00 0.00 N ATOM 1291 CA ARG A 83 11.192 -3.926 11.162 1.00 0.00 C ATOM 1292 C ARG A 83 10.693 -4.513 9.852 1.00 0.00 C ATOM 1293 O ARG A 83 11.446 -4.638 8.889 1.00 0.00 O ATOM 1294 CB ARG A 83 10.118 -3.086 11.859 1.00 0.00 C ATOM 1295 CG ARG A 83 9.629 -1.924 10.993 1.00 0.00 C ATOM 1296 CD ARG A 83 8.306 -1.398 11.548 1.00 0.00 C ATOM 1297 NE ARG A 83 8.398 -1.108 12.984 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.488 -1.468 13.893 1.00 0.00 C ATOM 1299 NH1 ARG A 83 6.393 -2.139 13.549 1.00 0.00 N ATOM 1300 NH2 ARG A 83 7.675 -1.152 15.172 1.00 0.00 N ATOM 0 H ARG A 83 12.188 -2.151 10.692 1.00 0.00 H new ATOM 0 HA ARG A 83 11.437 -4.753 11.829 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.272 -3.724 12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.518 -2.695 12.794 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.373 -1.127 10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.498 -2.254 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.020 -0.493 11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.520 -2.133 11.375 1.00 0.00 H new ATOM 0 HE ARG A 83 9.216 -0.594 13.311 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.234 -2.390 12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.712 -2.403 14.261 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.510 -0.638 15.453 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.984 -1.424 15.871 1.00 0.00 H new ATOM 1314 N GLU A 84 9.417 -4.874 9.816 1.00 0.00 N ATOM 1315 CA GLU A 84 8.785 -5.453 8.645 1.00 0.00 C ATOM 1316 C GLU A 84 7.735 -4.484 8.111 1.00 0.00 C ATOM 1317 O GLU A 84 7.367 -3.526 8.791 1.00 0.00 O ATOM 1318 CB GLU A 84 8.150 -6.795 9.015 1.00 0.00 C ATOM 1319 CG GLU A 84 9.233 -7.829 9.316 1.00 0.00 C ATOM 1320 CD GLU A 84 8.609 -9.189 9.626 1.00 0.00 C ATOM 1321 OE1 GLU A 84 8.277 -9.418 10.811 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.469 -9.994 8.678 1.00 0.00 O ATOM 0 H GLU A 84 8.787 -4.770 10.611 1.00 0.00 H new ATOM 0 HA GLU A 84 9.528 -5.628 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.504 -6.672 9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.521 -7.145 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.905 -7.918 8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.834 -7.498 10.163 1.00 0.00 H new ATOM 1329 N LEU A 85 7.259 -4.741 6.889 1.00 0.00 N ATOM 1330 CA LEU A 85 6.258 -3.925 6.228 1.00 0.00 C ATOM 1331 C LEU A 85 5.182 -4.857 5.680 1.00 0.00 C ATOM 1332 O LEU A 85 5.452 -6.032 5.429 1.00 0.00 O ATOM 1333 CB LEU A 85 6.920 -3.126 5.099 1.00 0.00 C ATOM 1334 CG LEU A 85 7.998 -2.151 5.586 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.577 -1.430 4.370 1.00 0.00 C ATOM 1336 CD2 LEU A 85 7.436 -1.102 6.539 1.00 0.00 C ATOM 0 H LEU A 85 7.568 -5.536 6.330 1.00 0.00 H new ATOM 0 HA LEU A 85 5.806 -3.217 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.365 -3.821 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.153 -2.568 4.562 1.00 0.00 H new ATOM 0 HG LEU A 85 8.756 -2.724 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.347 -0.730 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.014 -2.160 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.784 -0.885 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.236 -0.434 6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.663 -0.526 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.007 -1.595 7.411 1.00 0.00 H new ATOM 1348 N ARG A 86 3.961 -4.348 5.489 1.00 0.00 N ATOM 1349 CA ARG A 86 2.843 -5.169 5.053 1.00 0.00 C ATOM 1350 C ARG A 86 1.970 -4.423 4.058 1.00 0.00 C ATOM 1351 O ARG A 86 1.710 -3.232 4.212 1.00 0.00 O ATOM 1352 CB ARG A 86 2.013 -5.583 6.273 1.00 0.00 C ATOM 1353 CG ARG A 86 2.647 -6.742 7.048 1.00 0.00 C ATOM 1354 CD ARG A 86 2.761 -7.979 6.160 1.00 0.00 C ATOM 1355 NE ARG A 86 3.291 -9.127 6.898 1.00 0.00 N ATOM 1356 CZ ARG A 86 3.810 -10.207 6.309 1.00 0.00 C ATOM 1357 NH1 ARG A 86 3.878 -10.290 4.982 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.267 -11.214 7.049 1.00 0.00 N ATOM 0 H ARG A 86 3.728 -3.365 5.632 1.00 0.00 H new ATOM 0 HA ARG A 86 3.235 -6.056 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.897 -4.726 6.937 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.014 -5.872 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.635 -6.451 7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.045 -6.972 7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.780 -8.228 5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.410 -7.760 5.312 1.00 0.00 H new ATOM 0 HE ARG A 86 3.262 -9.100 7.917 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.532 -9.524 4.405 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.277 -11.120 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.221 -11.161 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.663 -12.039 6.599 1.00 0.00 H new ATOM 1372 N VAL A 87 1.526 -5.159 3.036 1.00 0.00 N ATOM 1373 CA VAL A 87 0.682 -4.640 1.970 1.00 0.00 C ATOM 1374 C VAL A 87 -0.163 -5.791 1.426 1.00 0.00 C ATOM 1375 O VAL A 87 0.386 -6.813 1.015 1.00 0.00 O ATOM 1376 CB VAL A 87 1.560 -4.090 0.839 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.673 -3.518 -0.260 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.499 -2.995 1.337 1.00 0.00 C ATOM 0 H VAL A 87 1.750 -6.148 2.929 1.00 0.00 H new ATOM 0 HA VAL A 87 0.046 -3.842 2.353 1.00 0.00 H new ATOM 0 HB VAL A 87 2.164 -4.912 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.296 -3.127 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.026 -4.303 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.061 -2.714 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.105 -2.630 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.913 -2.173 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.151 -3.399 2.112 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.488 -5.637 1.414 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.381 -6.663 0.890 1.00 0.00 C ATOM 1390 C GLN A 88 -3.758 -6.081 0.583 1.00 0.00 C ATOM 1391 O GLN A 88 -4.072 -4.970 1.003 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.507 -7.825 1.885 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.085 -7.404 3.243 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.084 -6.622 4.083 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.931 -7.022 4.228 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.508 -5.495 4.648 1.00 0.00 N ATOM 0 H GLN A 88 -1.965 -4.806 1.764 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.953 -7.041 -0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.142 -8.597 1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.524 -8.270 2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.975 -6.795 3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.400 -8.292 3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.471 -5.186 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.871 -4.939 5.218 1.00 0.00 H new ATOM 1405 N MET A 89 -4.583 -6.828 -0.153 1.00 0.00 N ATOM 1406 CA MET A 89 -5.913 -6.373 -0.533 1.00 0.00 C ATOM 1407 C MET A 89 -6.792 -6.189 0.704 1.00 0.00 C ATOM 1408 O MET A 89 -6.638 -6.907 1.690 1.00 0.00 O ATOM 1409 CB MET A 89 -6.540 -7.378 -1.502 1.00 0.00 C ATOM 1410 CG MET A 89 -5.663 -7.534 -2.750 1.00 0.00 C ATOM 1411 SD MET A 89 -5.449 -6.013 -3.713 1.00 0.00 S ATOM 1412 CE MET A 89 -4.104 -6.537 -4.809 1.00 0.00 C ATOM 0 H MET A 89 -4.346 -7.758 -0.498 1.00 0.00 H new ATOM 0 HA MET A 89 -5.832 -5.407 -1.031 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.658 -8.343 -1.009 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.537 -7.043 -1.789 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.681 -7.898 -2.446 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.101 -8.298 -3.393 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.803 -5.702 -5.441 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.253 -6.864 -4.211 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.445 -7.361 -5.435 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.713 -5.222 0.653 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.627 -4.959 1.758 1.00 0.00 C ATOM 1424 C ALA A 90 -9.730 -6.023 1.815 1.00 0.00 C ATOM 1425 O ALA A 90 -9.792 -6.904 0.956 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.237 -3.562 1.598 1.00 0.00 C ATOM 0 H ALA A 90 -7.842 -4.607 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.071 -5.001 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.920 -3.366 2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.443 -2.816 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.783 -3.509 0.656 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.604 -5.945 2.827 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.723 -6.878 2.972 1.00 0.00 C ATOM 1434 C ARG A 91 -13.042 -6.174 3.259 1.00 0.00 C ATOM 1435 O ARG A 91 -14.096 -6.809 3.264 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.418 -7.873 4.087 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.340 -7.197 5.456 1.00 0.00 C ATOM 1438 CD ARG A 91 -10.954 -8.203 6.540 1.00 0.00 C ATOM 1439 NE ARG A 91 -11.983 -9.240 6.708 1.00 0.00 N ATOM 1440 CZ ARG A 91 -11.808 -10.358 7.417 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -10.654 -10.602 8.033 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -12.800 -11.240 7.516 1.00 0.00 N ATOM 0 H ARG A 91 -10.554 -5.239 3.561 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.837 -7.397 2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.190 -8.642 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.473 -8.374 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.608 -6.390 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.302 -6.746 5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.004 -8.671 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.805 -7.681 7.485 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.886 -9.097 6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.889 -9.931 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.535 -11.460 8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.690 -11.061 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.670 -12.095 8.057 1.00 0.00 H new ATOM 1456 N TYR A 92 -12.979 -4.865 3.492 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.150 -4.036 3.731 1.00 0.00 C ATOM 1458 C TYR A 92 -14.053 -2.752 2.911 1.00 0.00 C ATOM 1459 O TYR A 92 -13.036 -2.492 2.267 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.248 -3.674 5.216 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.282 -4.845 6.169 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.253 -5.847 6.018 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.341 -4.924 7.208 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.289 -6.928 6.908 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.375 -5.999 8.105 1.00 0.00 C ATOM 1466 CZ TYR A 92 -14.350 -7.008 7.958 1.00 0.00 C ATOM 1467 OH TYR A 92 -14.385 -8.058 8.826 1.00 0.00 O ATOM 0 H TYR A 92 -12.101 -4.347 3.520 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.037 -4.596 3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.399 -3.042 5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.148 -3.078 5.368 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -15.973 -5.785 5.215 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.590 -4.155 7.316 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.035 -7.700 6.791 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.656 -6.056 8.908 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.669 -7.960 9.488 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.113 -1.936 2.936 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.112 -0.639 2.273 1.00 0.00 C ATOM 1479 C GLY A 93 -14.834 0.461 3.289 1.00 0.00 C ATOM 1480 O GLY A 93 -14.029 1.353 3.022 1.00 0.00 O ATOM 0 H GLY A 93 -15.986 -2.159 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.355 -0.622 1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.074 -0.466 1.791 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.493 0.390 4.454 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.242 1.224 5.614 1.00 0.00 C ATOM 1486 C ARG A 94 -16.136 0.718 6.752 1.00 0.00 C ATOM 1487 O ARG A 94 -17.192 0.139 6.494 1.00 0.00 O ATOM 1488 CB ARG A 94 -15.481 2.706 5.285 1.00 0.00 C ATOM 1489 CG ARG A 94 -16.862 3.212 5.692 1.00 0.00 C ATOM 1490 CD ARG A 94 -16.992 4.689 5.322 1.00 0.00 C ATOM 1491 NE ARG A 94 -18.258 5.245 5.809 1.00 0.00 N ATOM 1492 CZ ARG A 94 -18.473 5.604 7.078 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -17.524 5.479 7.997 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -19.660 6.098 7.432 1.00 0.00 N ATOM 0 H ARG A 94 -16.245 -0.282 4.609 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.199 1.156 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.722 3.307 5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.350 2.856 4.213 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.636 2.631 5.191 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -17.008 3.080 6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.158 5.248 5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.934 4.803 4.239 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.019 5.365 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.611 5.103 7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.707 5.759 8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -20.398 6.200 6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.830 6.374 8.399 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.730 0.926 8.007 1.00 0.00 N ATOM 1509 CA PRO A 95 -16.463 0.552 9.203 1.00 0.00 C ATOM 1510 C PRO A 95 -17.835 1.231 9.280 1.00 0.00 C ATOM 1511 O PRO A 95 -18.001 2.353 8.800 1.00 0.00 O ATOM 1512 CB PRO A 95 -15.571 0.980 10.371 1.00 0.00 C ATOM 1513 CG PRO A 95 -14.663 2.055 9.766 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.483 1.553 8.342 1.00 0.00 C ATOM 0 HA PRO A 95 -16.673 -0.518 9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.159 1.374 11.200 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.993 0.142 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.124 3.042 9.795 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.713 2.131 10.295 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.258 2.373 7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.656 0.847 8.274 1.00 0.00 H new ATOM 1522 N PRO A 96 -18.826 0.562 9.884 1.00 0.00 N ATOM 1523 CA PRO A 96 -20.187 1.059 10.019 1.00 0.00 C ATOM 1524 C PRO A 96 -20.317 2.095 11.136 1.00 0.00 C ATOM 1525 O PRO A 96 -21.355 2.742 11.258 1.00 0.00 O ATOM 1526 CB PRO A 96 -21.011 -0.181 10.354 1.00 0.00 C ATOM 1527 CG PRO A 96 -20.034 -1.030 11.166 1.00 0.00 C ATOM 1528 CD PRO A 96 -18.699 -0.755 10.478 1.00 0.00 C ATOM 0 HA PRO A 96 -20.516 1.564 9.111 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -21.903 0.069 10.928 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -21.346 -0.699 9.455 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -20.017 -0.736 12.215 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -20.295 -2.088 11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -17.877 -0.784 11.193 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -18.488 -1.508 9.719 1.00 0.00 H new ATOM 1536 N ASP A 97 -19.275 2.259 11.953 1.00 0.00 N ATOM 1537 CA ASP A 97 -19.284 3.175 13.081 1.00 0.00 C ATOM 1538 C ASP A 97 -17.857 3.603 13.407 1.00 0.00 C ATOM 1539 O ASP A 97 -16.905 2.914 13.041 1.00 0.00 O ATOM 1540 CB ASP A 97 -19.916 2.453 14.277 1.00 0.00 C ATOM 1541 CG ASP A 97 -20.004 3.360 15.498 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -20.914 4.218 15.514 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.161 3.188 16.407 1.00 0.00 O ATOM 0 H ASP A 97 -18.396 1.753 11.844 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.861 4.069 12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -20.914 2.107 14.008 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -19.327 1.569 14.522 1.00 0.00 H new ATOM 1548 N SER A 98 -17.702 4.736 14.100 1.00 0.00 N ATOM 1549 CA SER A 98 -16.392 5.266 14.451 1.00 0.00 C ATOM 1550 C SER A 98 -15.832 4.611 15.708 1.00 0.00 C ATOM 1551 O SER A 98 -15.147 5.265 16.496 1.00 0.00 O ATOM 1552 CB SER A 98 -16.441 6.779 14.648 1.00 0.00 C ATOM 1553 OG SER A 98 -17.072 7.411 13.551 1.00 0.00 O ATOM 0 H SER A 98 -18.482 5.305 14.430 1.00 0.00 H new ATOM 0 HA SER A 98 -15.731 5.035 13.616 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.979 7.013 15.566 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.429 7.168 14.764 1.00 0.00 H new ATOM 0 HG SER A 98 -17.094 8.379 13.700 1.00 0.00 H new