USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 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 89:sc= 1.07 USER MOD Set 1.2: A 75 MET CE :methyl -129:sc= -1.22 (180deg=-9.2!) USER MOD Set 2.1: A 26 SER OG : rot -60:sc= 1.25 USER MOD Set 2.2: A 29 THR OG1 : rot -160:sc= 1.17 USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.928 USER MOD Set 3.2: A 25 THR OG1 : rot 70:sc= 1.33 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 150:sc= -0.291 (180deg=-1.08) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 15 SER OG : rot 31:sc= 0.00246 USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= -0.243 (180deg=-0.248) USER MOD Single : A 20 ASN : amide:sc= 0.906 K(o=0.91,f=-0.015) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 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= 0.39 USER MOD Single : A 51 THR OG1 : rot 157:sc= 0.753 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -149:sc= -0.0201 (180deg=-1.04) USER MOD Single : A 88 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.8) USER MOD Single : A 89 MET CE :methyl -174:sc= -0.277 (180deg=-0.278) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -4.679 13.577 3.604 1.00 0.00 N ATOM 30 CA TYR A 3 -6.118 13.771 3.521 1.00 0.00 C ATOM 31 C TYR A 3 -6.730 14.059 4.879 1.00 0.00 C ATOM 32 O TYR A 3 -6.079 13.956 5.920 1.00 0.00 O ATOM 33 CB TYR A 3 -6.795 12.517 2.959 1.00 0.00 C ATOM 34 CG TYR A 3 -6.342 12.112 1.571 1.00 0.00 C ATOM 35 CD1 TYR A 3 -5.077 11.543 1.375 1.00 0.00 C ATOM 36 CD2 TYR A 3 -7.200 12.310 0.479 1.00 0.00 C ATOM 37 CE1 TYR A 3 -4.668 11.177 0.087 1.00 0.00 C ATOM 38 CE2 TYR A 3 -6.797 11.944 -0.814 1.00 0.00 C ATOM 39 CZ TYR A 3 -5.525 11.374 -1.012 1.00 0.00 C ATOM 40 OH TYR A 3 -5.121 11.017 -2.264 1.00 0.00 O ATOM 0 HA TYR A 3 -6.280 14.626 2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.612 11.687 3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.872 12.682 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.418 11.387 2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.176 12.746 0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.691 10.742 -0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.459 12.099 -1.653 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.832 11.219 -2.907 1.00 0.00 H new ATOM 50 N GLY A 4 -8.012 14.419 4.842 1.00 0.00 N ATOM 51 CA GLY A 4 -8.839 14.589 6.017 1.00 0.00 C ATOM 52 C GLY A 4 -10.310 14.450 5.638 1.00 0.00 C ATOM 53 O GLY A 4 -11.180 14.894 6.381 1.00 0.00 O ATOM 0 H GLY A 4 -8.508 14.603 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.576 13.845 6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.659 15.568 6.461 1.00 0.00 H new ATOM 57 N ARG A 5 -10.586 13.834 4.482 1.00 0.00 N ATOM 58 CA ARG A 5 -11.928 13.621 3.953 1.00 0.00 C ATOM 59 C ARG A 5 -11.890 12.362 3.082 1.00 0.00 C ATOM 60 O ARG A 5 -11.000 12.241 2.243 1.00 0.00 O ATOM 61 CB ARG A 5 -12.343 14.834 3.114 1.00 0.00 C ATOM 62 CG ARG A 5 -12.505 16.075 3.993 1.00 0.00 C ATOM 63 CD ARG A 5 -12.908 17.315 3.197 1.00 0.00 C ATOM 64 NE ARG A 5 -14.200 17.139 2.523 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.386 17.305 3.114 1.00 0.00 C ATOM 66 NH1 ARG A 5 -15.471 17.668 4.392 1.00 0.00 N ATOM 67 NH2 ARG A 5 -16.506 17.112 2.421 1.00 0.00 N ATOM 0 H ARG A 5 -9.856 13.461 3.875 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.650 13.497 4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.594 15.023 2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.281 14.622 2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.258 15.878 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.567 16.271 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.962 18.174 3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.140 17.536 2.456 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.191 16.872 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.622 17.824 4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.385 17.790 4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.458 16.838 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.412 17.238 2.871 1.00 0.00 H new ATOM 81 N PRO A 6 -12.831 11.430 3.267 1.00 0.00 N ATOM 82 CA PRO A 6 -12.846 10.156 2.566 1.00 0.00 C ATOM 83 C PRO A 6 -13.316 10.301 1.118 1.00 0.00 C ATOM 84 O PRO A 6 -14.439 10.746 0.881 1.00 0.00 O ATOM 85 CB PRO A 6 -13.826 9.290 3.359 1.00 0.00 C ATOM 86 CG PRO A 6 -14.812 10.308 3.931 1.00 0.00 C ATOM 87 CD PRO A 6 -13.942 11.530 4.197 1.00 0.00 C ATOM 0 HA PRO A 6 -11.847 9.725 2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.326 8.561 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.322 8.731 4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.614 10.531 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.282 9.943 4.844 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.503 12.452 4.040 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.590 11.543 5.228 1.00 0.00 H new ATOM 95 N PRO A 7 -12.480 9.930 0.137 1.00 0.00 N ATOM 96 CA PRO A 7 -12.859 9.851 -1.262 1.00 0.00 C ATOM 97 C PRO A 7 -13.568 8.521 -1.535 1.00 0.00 C ATOM 98 O PRO A 7 -13.557 7.633 -0.681 1.00 0.00 O ATOM 99 CB PRO A 7 -11.531 9.898 -2.014 1.00 0.00 C ATOM 100 CG PRO A 7 -10.593 9.138 -1.078 1.00 0.00 C ATOM 101 CD PRO A 7 -11.090 9.543 0.309 1.00 0.00 C ATOM 0 HA PRO A 7 -13.539 10.649 -1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.602 9.422 -2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.196 10.922 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.656 8.061 -1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.552 9.421 -1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.999 8.716 1.013 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.501 10.369 0.709 1.00 0.00 H new ATOM 109 N PRO A 8 -14.188 8.358 -2.714 1.00 0.00 N ATOM 110 CA PRO A 8 -14.780 7.100 -3.135 1.00 0.00 C ATOM 111 C PRO A 8 -13.674 6.091 -3.439 1.00 0.00 C ATOM 112 O PRO A 8 -12.541 6.473 -3.731 1.00 0.00 O ATOM 113 CB PRO A 8 -15.590 7.437 -4.384 1.00 0.00 C ATOM 114 CG PRO A 8 -14.854 8.640 -4.968 1.00 0.00 C ATOM 115 CD PRO A 8 -14.356 9.383 -3.729 1.00 0.00 C ATOM 0 HA PRO A 8 -15.413 6.651 -2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -15.615 6.602 -5.084 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.624 7.679 -4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -14.029 8.333 -5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.515 9.262 -5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.416 9.897 -3.929 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.072 10.140 -3.409 1.00 0.00 H new ATOM 123 N ASP A 9 -13.999 4.796 -3.374 1.00 0.00 N ATOM 124 CA ASP A 9 -13.022 3.737 -3.599 1.00 0.00 C ATOM 125 C ASP A 9 -13.675 2.437 -4.075 1.00 0.00 C ATOM 126 O ASP A 9 -13.024 1.395 -4.113 1.00 0.00 O ATOM 127 CB ASP A 9 -12.239 3.494 -2.304 1.00 0.00 C ATOM 128 CG ASP A 9 -13.134 3.186 -1.101 1.00 0.00 C ATOM 129 OD1 ASP A 9 -14.178 2.518 -1.286 1.00 0.00 O ATOM 130 OD2 ASP A 9 -12.766 3.627 0.010 1.00 0.00 O ATOM 0 H ASP A 9 -14.939 4.459 -3.166 1.00 0.00 H new ATOM 0 HA ASP A 9 -12.348 4.061 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.549 2.664 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.635 4.374 -2.083 1.00 0.00 H new ATOM 135 N VAL A 10 -14.959 2.493 -4.445 1.00 0.00 N ATOM 136 CA VAL A 10 -15.705 1.302 -4.834 1.00 0.00 C ATOM 137 C VAL A 10 -16.680 1.569 -5.988 1.00 0.00 C ATOM 138 O VAL A 10 -17.343 0.649 -6.463 1.00 0.00 O ATOM 139 CB VAL A 10 -16.413 0.757 -3.585 1.00 0.00 C ATOM 140 CG1 VAL A 10 -17.499 1.723 -3.098 1.00 0.00 C ATOM 141 CG2 VAL A 10 -17.027 -0.625 -3.812 1.00 0.00 C ATOM 0 H VAL A 10 -15.501 3.356 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.015 0.552 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.642 0.660 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -17.983 1.310 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -17.047 2.683 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -18.241 1.863 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.514 -0.961 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.762 -0.569 -4.615 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.243 -1.331 -4.086 1.00 0.00 H new ATOM 151 N GLU A 11 -16.783 2.818 -6.452 1.00 0.00 N ATOM 152 CA GLU A 11 -17.683 3.160 -7.549 1.00 0.00 C ATOM 153 C GLU A 11 -17.192 2.608 -8.886 1.00 0.00 C ATOM 154 O GLU A 11 -17.919 2.652 -9.875 1.00 0.00 O ATOM 155 CB GLU A 11 -17.826 4.683 -7.645 1.00 0.00 C ATOM 156 CG GLU A 11 -18.356 5.259 -6.328 1.00 0.00 C ATOM 157 CD GLU A 11 -18.671 6.750 -6.462 1.00 0.00 C ATOM 158 OE1 GLU A 11 -17.774 7.490 -6.917 1.00 0.00 O ATOM 159 OE2 GLU A 11 -19.807 7.136 -6.104 1.00 0.00 O ATOM 0 H GLU A 11 -16.252 3.607 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.650 2.704 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.860 5.130 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.504 4.939 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.255 4.720 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.618 5.110 -5.540 1.00 0.00 H new ATOM 166 N GLY A 12 -15.962 2.085 -8.922 1.00 0.00 N ATOM 167 CA GLY A 12 -15.371 1.545 -10.140 1.00 0.00 C ATOM 168 C GLY A 12 -13.874 1.272 -9.969 1.00 0.00 C ATOM 169 O GLY A 12 -13.131 1.334 -10.946 1.00 0.00 O ATOM 0 H GLY A 12 -15.353 2.026 -8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.881 0.621 -10.413 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.522 2.247 -10.960 1.00 0.00 H new ATOM 173 N MET A 13 -13.441 0.974 -8.738 1.00 0.00 N ATOM 174 CA MET A 13 -12.030 0.845 -8.399 1.00 0.00 C ATOM 175 C MET A 13 -11.803 -0.355 -7.479 1.00 0.00 C ATOM 176 O MET A 13 -12.731 -1.109 -7.186 1.00 0.00 O ATOM 177 CB MET A 13 -11.546 2.125 -7.702 1.00 0.00 C ATOM 178 CG MET A 13 -11.627 3.372 -8.585 1.00 0.00 C ATOM 179 SD MET A 13 -13.264 4.129 -8.776 1.00 0.00 S ATOM 180 CE MET A 13 -13.607 4.571 -7.057 1.00 0.00 C ATOM 0 H MET A 13 -14.068 0.816 -7.949 1.00 0.00 H new ATOM 0 HA MET A 13 -11.466 0.692 -9.319 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.142 2.287 -6.804 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.514 1.985 -7.379 1.00 0.00 H new ATOM 0 HG2 MET A 13 -10.950 4.123 -8.177 1.00 0.00 H new ATOM 0 HG3 MET A 13 -11.254 3.112 -9.576 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.241 5.457 -7.029 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.117 3.744 -6.563 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.670 4.779 -6.541 1.00 0.00 H new ATOM 190 N THR A 14 -10.557 -0.528 -7.018 1.00 0.00 N ATOM 191 CA THR A 14 -10.173 -1.571 -6.073 1.00 0.00 C ATOM 192 C THR A 14 -9.531 -0.914 -4.853 1.00 0.00 C ATOM 193 O THR A 14 -9.534 0.309 -4.744 1.00 0.00 O ATOM 194 CB THR A 14 -9.264 -2.603 -6.754 1.00 0.00 C ATOM 195 OG1 THR A 14 -9.057 -3.697 -5.888 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.905 -2.035 -7.158 1.00 0.00 C ATOM 0 H THR A 14 -9.778 0.067 -7.300 1.00 0.00 H new ATOM 0 HA THR A 14 -11.048 -2.123 -5.731 1.00 0.00 H new ATOM 0 HB THR A 14 -9.775 -2.912 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.478 -4.355 -6.325 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.311 -2.816 -7.634 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.048 -1.211 -7.857 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.384 -1.672 -6.272 1.00 0.00 H new ATOM 203 N SER A 15 -8.980 -1.704 -3.928 1.00 0.00 N ATOM 204 CA SER A 15 -8.396 -1.172 -2.706 1.00 0.00 C ATOM 205 C SER A 15 -7.246 -2.050 -2.229 1.00 0.00 C ATOM 206 O SER A 15 -7.399 -3.259 -2.059 1.00 0.00 O ATOM 207 CB SER A 15 -9.485 -1.076 -1.637 1.00 0.00 C ATOM 208 OG SER A 15 -10.160 -2.310 -1.504 1.00 0.00 O ATOM 0 H SER A 15 -8.929 -2.720 -4.008 1.00 0.00 H new ATOM 0 HA SER A 15 -7.991 -0.179 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.041 -0.793 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.195 -0.293 -1.903 1.00 0.00 H new ATOM 0 HG SER A 15 -9.545 -3.044 -1.713 1.00 0.00 H new ATOM 214 N LEU A 16 -6.085 -1.422 -2.012 1.00 0.00 N ATOM 215 CA LEU A 16 -4.912 -2.106 -1.481 1.00 0.00 C ATOM 216 C LEU A 16 -4.406 -1.391 -0.238 1.00 0.00 C ATOM 217 O LEU A 16 -3.906 -0.271 -0.335 1.00 0.00 O ATOM 218 CB LEU A 16 -3.804 -2.126 -2.530 1.00 0.00 C ATOM 219 CG LEU A 16 -2.559 -2.851 -2.005 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.720 -4.361 -2.167 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.332 -2.407 -2.787 1.00 0.00 C ATOM 0 H LEU A 16 -5.937 -0.430 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.192 -3.127 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.163 -2.620 -3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.544 -1.105 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.438 -2.605 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.829 -4.864 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.591 -4.696 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.854 -4.602 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.452 -2.926 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.467 -2.644 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.197 -1.332 -2.672 1.00 0.00 H new ATOM 233 N LYS A 17 -4.538 -2.050 0.919 1.00 0.00 N ATOM 234 CA LYS A 17 -4.073 -1.530 2.193 1.00 0.00 C ATOM 235 C LYS A 17 -2.568 -1.687 2.337 1.00 0.00 C ATOM 236 O LYS A 17 -1.984 -2.683 1.913 1.00 0.00 O ATOM 237 CB LYS A 17 -4.814 -2.247 3.326 1.00 0.00 C ATOM 238 CG LYS A 17 -4.161 -2.070 4.697 1.00 0.00 C ATOM 239 CD LYS A 17 -5.126 -2.632 5.738 1.00 0.00 C ATOM 240 CE LYS A 17 -4.523 -2.614 7.137 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.212 -1.244 7.591 1.00 0.00 N ATOM 0 H LYS A 17 -4.976 -2.968 0.989 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.287 -0.462 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.838 -1.876 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.870 -3.311 3.095 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.206 -2.593 4.737 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.957 -1.017 4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.047 -2.049 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.394 -3.654 5.471 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.218 -3.078 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.613 -3.214 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.788 -1.281 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.542 -0.803 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.087 -0.682 7.624 1.00 0.00 H new ATOM 255 N VAL A 18 -1.944 -0.681 2.951 1.00 0.00 N ATOM 256 CA VAL A 18 -0.540 -0.718 3.349 1.00 0.00 C ATOM 257 C VAL A 18 -0.448 -0.336 4.820 1.00 0.00 C ATOM 258 O VAL A 18 -1.082 0.633 5.234 1.00 0.00 O ATOM 259 CB VAL A 18 0.252 0.292 2.521 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.654 0.490 3.085 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.351 -0.116 1.053 1.00 0.00 C ATOM 0 H VAL A 18 -2.409 0.195 3.189 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.132 -1.716 3.188 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.297 1.232 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.193 1.214 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.586 0.858 4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.187 -0.461 3.076 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.923 0.633 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.851 -1.082 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.650 -0.191 0.628 1.00 0.00 H new ATOM 271 N ASP A 19 0.337 -1.099 5.596 1.00 0.00 N ATOM 272 CA ASP A 19 0.452 -0.964 7.044 1.00 0.00 C ATOM 273 C ASP A 19 1.819 -1.426 7.565 1.00 0.00 C ATOM 274 O ASP A 19 2.723 -1.732 6.789 1.00 0.00 O ATOM 275 CB ASP A 19 -0.674 -1.773 7.694 1.00 0.00 C ATOM 276 CG ASP A 19 -0.536 -3.274 7.461 1.00 0.00 C ATOM 277 OD1 ASP A 19 -0.969 -3.728 6.378 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.001 -3.946 8.368 1.00 0.00 O ATOM 0 H ASP A 19 0.922 -1.844 5.217 1.00 0.00 H new ATOM 0 HA ASP A 19 0.364 0.091 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.684 -1.576 8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.632 -1.435 7.299 1.00 0.00 H new ATOM 283 N ASN A 20 1.945 -1.473 8.896 1.00 0.00 N ATOM 284 CA ASN A 20 3.161 -1.822 9.622 1.00 0.00 C ATOM 285 C ASN A 20 4.313 -0.851 9.338 1.00 0.00 C ATOM 286 O ASN A 20 5.098 -1.056 8.418 1.00 0.00 O ATOM 287 CB ASN A 20 3.547 -3.283 9.365 1.00 0.00 C ATOM 288 CG ASN A 20 4.363 -3.833 10.521 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.830 -4.521 11.388 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.657 -3.540 10.549 1.00 0.00 N ATOM 0 H ASN A 20 1.166 -1.259 9.519 1.00 0.00 H new ATOM 0 HA ASN A 20 2.949 -1.721 10.686 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.648 -3.884 9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.121 -3.356 8.441 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.243 -3.889 11.308 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.066 -2.966 9.812 1.00 0.00 H new ATOM 297 N LEU A 21 4.413 0.214 10.139 1.00 0.00 N ATOM 298 CA LEU A 21 5.477 1.210 10.009 1.00 0.00 C ATOM 299 C LEU A 21 6.009 1.661 11.370 1.00 0.00 C ATOM 300 O LEU A 21 5.447 1.308 12.405 1.00 0.00 O ATOM 301 CB LEU A 21 4.972 2.384 9.162 1.00 0.00 C ATOM 302 CG LEU A 21 3.573 2.890 9.535 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.515 3.603 10.878 1.00 0.00 C ATOM 304 CD2 LEU A 21 3.112 3.870 8.471 1.00 0.00 C ATOM 0 H LEU A 21 3.757 0.409 10.896 1.00 0.00 H new ATOM 0 HA LEU A 21 6.326 0.755 9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.678 3.210 9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.967 2.083 8.115 1.00 0.00 H new ATOM 0 HG LEU A 21 2.933 2.010 9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.494 3.931 11.072 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.832 2.920 11.666 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.177 4.469 10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.118 4.239 8.722 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.808 4.707 8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.079 3.368 7.504 1.00 0.00 H new ATOM 316 N THR A 22 7.098 2.445 11.380 1.00 0.00 N ATOM 317 CA THR A 22 7.672 2.956 12.623 1.00 0.00 C ATOM 318 C THR A 22 6.738 3.949 13.305 1.00 0.00 C ATOM 319 O THR A 22 5.802 4.463 12.697 1.00 0.00 O ATOM 320 CB THR A 22 8.995 3.672 12.347 1.00 0.00 C ATOM 321 OG1 THR A 22 8.764 4.755 11.472 1.00 0.00 O ATOM 322 CG2 THR A 22 10.012 2.727 11.714 1.00 0.00 C ATOM 0 H THR A 22 7.595 2.736 10.538 1.00 0.00 H new ATOM 0 HA THR A 22 7.829 2.096 13.275 1.00 0.00 H new ATOM 0 HB THR A 22 9.397 4.027 13.296 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.609 5.218 11.294 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.942 3.264 11.529 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.203 1.893 12.389 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.619 2.348 10.771 1.00 0.00 H new ATOM 329 N TYR A 23 7.002 4.230 14.581 1.00 0.00 N ATOM 330 CA TYR A 23 6.276 5.241 15.335 1.00 0.00 C ATOM 331 C TYR A 23 6.642 6.656 14.866 1.00 0.00 C ATOM 332 O TYR A 23 6.300 7.632 15.538 1.00 0.00 O ATOM 333 CB TYR A 23 6.573 5.063 16.827 1.00 0.00 C ATOM 334 CG TYR A 23 8.033 5.208 17.195 1.00 0.00 C ATOM 335 CD1 TYR A 23 8.889 4.097 17.124 1.00 0.00 C ATOM 336 CD2 TYR A 23 8.534 6.454 17.603 1.00 0.00 C ATOM 337 CE1 TYR A 23 10.246 4.235 17.446 1.00 0.00 C ATOM 338 CE2 TYR A 23 9.890 6.598 17.927 1.00 0.00 C ATOM 339 CZ TYR A 23 10.750 5.485 17.852 1.00 0.00 C ATOM 340 OH TYR A 23 12.070 5.619 18.164 1.00 0.00 O ATOM 0 H TYR A 23 7.729 3.759 15.119 1.00 0.00 H new ATOM 0 HA TYR A 23 5.207 5.114 15.162 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.994 5.795 17.390 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.229 4.077 17.139 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.501 3.136 16.821 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.872 7.305 17.668 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.905 3.382 17.383 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.274 7.560 18.233 1.00 0.00 H new ATOM 0 HH TYR A 23 12.252 6.546 18.423 1.00 0.00 H new ATOM 350 N ARG A 24 7.334 6.773 13.726 1.00 0.00 N ATOM 351 CA ARG A 24 7.812 8.050 13.208 1.00 0.00 C ATOM 352 C ARG A 24 7.404 8.275 11.753 1.00 0.00 C ATOM 353 O ARG A 24 7.457 9.411 11.286 1.00 0.00 O ATOM 354 CB ARG A 24 9.340 8.098 13.322 1.00 0.00 C ATOM 355 CG ARG A 24 9.843 8.004 14.761 1.00 0.00 C ATOM 356 CD ARG A 24 9.315 9.164 15.603 1.00 0.00 C ATOM 357 NE ARG A 24 9.792 10.458 15.102 1.00 0.00 N ATOM 358 CZ ARG A 24 9.309 11.641 15.495 1.00 0.00 C ATOM 359 NH1 ARG A 24 8.330 11.707 16.395 1.00 0.00 N ATOM 360 NH2 ARG A 24 9.805 12.764 14.985 1.00 0.00 N ATOM 0 H ARG A 24 7.577 5.976 13.137 1.00 0.00 H new ATOM 0 HA ARG A 24 7.355 8.842 13.802 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.766 7.280 12.742 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.701 9.026 12.878 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.526 7.058 15.200 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.933 8.010 14.770 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.225 9.151 15.598 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.631 9.036 16.638 1.00 0.00 H new ATOM 0 HE ARG A 24 10.540 10.455 14.409 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.942 10.850 16.791 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.968 12.614 16.689 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.554 12.723 14.294 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.437 13.667 15.285 1.00 0.00 H new ATOM 374 N THR A 25 6.997 7.224 11.033 1.00 0.00 N ATOM 375 CA THR A 25 6.482 7.386 9.675 1.00 0.00 C ATOM 376 C THR A 25 5.178 8.183 9.713 1.00 0.00 C ATOM 377 O THR A 25 4.539 8.276 10.761 1.00 0.00 O ATOM 378 CB THR A 25 6.303 6.015 9.026 1.00 0.00 C ATOM 379 OG1 THR A 25 7.531 5.329 9.066 1.00 0.00 O ATOM 380 CG2 THR A 25 5.906 6.127 7.552 1.00 0.00 C ATOM 0 H THR A 25 7.015 6.260 11.367 1.00 0.00 H new ATOM 0 HA THR A 25 7.192 7.946 9.067 1.00 0.00 H new ATOM 0 HB THR A 25 5.517 5.495 9.574 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.735 5.077 9.991 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.789 5.129 7.130 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.964 6.669 7.469 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.682 6.663 7.006 1.00 0.00 H new ATOM 387 N SER A 26 4.773 8.762 8.581 1.00 0.00 N ATOM 388 CA SER A 26 3.598 9.616 8.522 1.00 0.00 C ATOM 389 C SER A 26 2.831 9.389 7.214 1.00 0.00 C ATOM 390 O SER A 26 3.365 8.752 6.303 1.00 0.00 O ATOM 391 CB SER A 26 4.071 11.067 8.657 1.00 0.00 C ATOM 392 OG SER A 26 4.498 11.557 7.409 1.00 0.00 O ATOM 0 H SER A 26 5.251 8.650 7.687 1.00 0.00 H new ATOM 0 HA SER A 26 2.908 9.379 9.332 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.261 11.687 9.041 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.887 11.126 9.377 1.00 0.00 H new ATOM 0 HG SER A 26 5.238 11.007 7.077 1.00 0.00 H new ATOM 398 N PRO A 27 1.596 9.894 7.092 1.00 0.00 N ATOM 399 CA PRO A 27 0.781 9.680 5.908 1.00 0.00 C ATOM 400 C PRO A 27 1.346 10.417 4.696 1.00 0.00 C ATOM 401 O PRO A 27 1.010 10.075 3.564 1.00 0.00 O ATOM 402 CB PRO A 27 -0.611 10.187 6.277 1.00 0.00 C ATOM 403 CG PRO A 27 -0.336 11.238 7.349 1.00 0.00 C ATOM 404 CD PRO A 27 0.889 10.692 8.077 1.00 0.00 C ATOM 0 HA PRO A 27 0.760 8.629 5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.123 10.617 5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.243 9.384 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.139 12.216 6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.184 11.355 8.023 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.517 11.501 8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.599 10.089 8.937 1.00 0.00 H new ATOM 412 N ASP A 28 2.202 11.425 4.910 1.00 0.00 N ATOM 413 CA ASP A 28 2.847 12.120 3.803 1.00 0.00 C ATOM 414 C ASP A 28 4.011 11.283 3.291 1.00 0.00 C ATOM 415 O ASP A 28 4.324 11.302 2.100 1.00 0.00 O ATOM 416 CB ASP A 28 3.375 13.471 4.276 1.00 0.00 C ATOM 417 CG ASP A 28 4.012 14.242 3.121 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.247 14.869 2.357 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.258 14.199 3.012 1.00 0.00 O ATOM 0 H ASP A 28 2.459 11.771 5.835 1.00 0.00 H new ATOM 0 HA ASP A 28 2.120 12.274 3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.560 14.055 4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.109 13.322 5.068 1.00 0.00 H new ATOM 424 N THR A 29 4.653 10.540 4.198 1.00 0.00 N ATOM 425 CA THR A 29 5.778 9.704 3.827 1.00 0.00 C ATOM 426 C THR A 29 5.268 8.593 2.931 1.00 0.00 C ATOM 427 O THR A 29 5.798 8.396 1.842 1.00 0.00 O ATOM 428 CB THR A 29 6.437 9.075 5.056 1.00 0.00 C ATOM 429 OG1 THR A 29 6.274 9.901 6.190 1.00 0.00 O ATOM 430 CG2 THR A 29 7.927 8.899 4.815 1.00 0.00 C ATOM 0 H THR A 29 4.408 10.506 5.187 1.00 0.00 H new ATOM 0 HA THR A 29 6.519 10.321 3.318 1.00 0.00 H new ATOM 0 HB THR A 29 5.961 8.110 5.230 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.943 9.665 6.866 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.387 8.451 5.695 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.082 8.249 3.954 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.382 9.871 4.623 1.00 0.00 H new ATOM 437 N LEU A 30 4.242 7.864 3.379 1.00 0.00 N ATOM 438 CA LEU A 30 3.721 6.744 2.618 1.00 0.00 C ATOM 439 C LEU A 30 3.186 7.217 1.276 1.00 0.00 C ATOM 440 O LEU A 30 3.299 6.506 0.282 1.00 0.00 O ATOM 441 CB LEU A 30 2.592 6.061 3.381 1.00 0.00 C ATOM 442 CG LEU A 30 3.016 5.625 4.777 1.00 0.00 C ATOM 443 CD1 LEU A 30 1.772 5.116 5.495 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.089 4.539 4.701 1.00 0.00 C ATOM 0 H LEU A 30 3.762 8.035 4.263 1.00 0.00 H new ATOM 0 HA LEU A 30 4.536 6.038 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.745 6.742 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.252 5.191 2.819 1.00 0.00 H new ATOM 0 HG LEU A 30 3.450 6.462 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.039 4.794 6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.033 5.915 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.353 4.274 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.378 4.242 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.695 3.675 4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.961 4.925 4.173 1.00 0.00 H new ATOM 456 N ARG A 31 2.602 8.417 1.242 1.00 0.00 N ATOM 457 CA ARG A 31 2.029 8.937 0.015 1.00 0.00 C ATOM 458 C ARG A 31 3.118 8.989 -1.052 1.00 0.00 C ATOM 459 O ARG A 31 2.873 8.620 -2.191 1.00 0.00 O ATOM 460 CB ARG A 31 1.411 10.315 0.272 1.00 0.00 C ATOM 461 CG ARG A 31 1.030 11.026 -1.032 1.00 0.00 C ATOM 462 CD ARG A 31 0.061 10.188 -1.863 1.00 0.00 C ATOM 463 NE ARG A 31 -0.069 10.738 -3.216 1.00 0.00 N ATOM 464 CZ ARG A 31 -1.086 11.475 -3.663 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.126 11.764 -2.885 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.054 11.926 -4.910 1.00 0.00 N ATOM 0 H ARG A 31 2.517 9.037 2.048 1.00 0.00 H new ATOM 0 HA ARG A 31 1.230 8.286 -0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.525 10.204 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.118 10.931 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.575 11.990 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.929 11.228 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.415 9.159 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.915 10.165 -1.379 1.00 0.00 H new ATOM 0 HE ARG A 31 0.685 10.539 -3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.156 11.420 -1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.893 12.330 -3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.259 11.708 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.824 12.491 -5.268 1.00 0.00 H new ATOM 480 N ARG A 32 4.319 9.441 -0.689 1.00 0.00 N ATOM 481 CA ARG A 32 5.420 9.612 -1.629 1.00 0.00 C ATOM 482 C ARG A 32 6.212 8.319 -1.811 1.00 0.00 C ATOM 483 O ARG A 32 6.653 8.009 -2.916 1.00 0.00 O ATOM 484 CB ARG A 32 6.309 10.713 -1.050 1.00 0.00 C ATOM 485 CG ARG A 32 7.565 10.982 -1.881 1.00 0.00 C ATOM 486 CD ARG A 32 8.425 12.028 -1.170 1.00 0.00 C ATOM 487 NE ARG A 32 7.732 13.318 -1.059 1.00 0.00 N ATOM 488 CZ ARG A 32 7.087 13.755 0.029 1.00 0.00 C ATOM 489 NH1 ARG A 32 7.027 13.025 1.137 1.00 0.00 N ATOM 490 NH2 ARG A 32 6.492 14.946 0.016 1.00 0.00 N ATOM 0 H ARG A 32 4.553 9.699 0.270 1.00 0.00 H new ATOM 0 HA ARG A 32 5.043 9.878 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.730 11.633 -0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.605 10.436 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.130 10.060 -2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.289 11.335 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.686 11.669 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.359 12.163 -1.715 1.00 0.00 H new ATOM 0 HE ARG A 32 7.743 13.929 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.478 12.111 1.171 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.530 13.379 1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.528 15.525 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.000 15.279 0.845 1.00 0.00 H new ATOM 504 N VAL A 33 6.383 7.567 -0.723 1.00 0.00 N ATOM 505 CA VAL A 33 7.066 6.277 -0.718 1.00 0.00 C ATOM 506 C VAL A 33 6.367 5.292 -1.640 1.00 0.00 C ATOM 507 O VAL A 33 7.029 4.457 -2.253 1.00 0.00 O ATOM 508 CB VAL A 33 7.047 5.734 0.716 1.00 0.00 C ATOM 509 CG1 VAL A 33 7.362 4.246 0.801 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.045 6.491 1.589 1.00 0.00 C ATOM 0 H VAL A 33 6.043 7.845 0.197 1.00 0.00 H new ATOM 0 HA VAL A 33 8.089 6.406 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 33 6.028 5.882 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.332 3.927 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.624 3.685 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.356 4.061 0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.017 6.092 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.048 6.374 1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.783 7.549 1.608 1.00 0.00 H new ATOM 520 N PHE A 34 5.042 5.384 -1.740 1.00 0.00 N ATOM 521 CA PHE A 34 4.246 4.431 -2.497 1.00 0.00 C ATOM 522 C PHE A 34 3.739 5.028 -3.808 1.00 0.00 C ATOM 523 O PHE A 34 3.229 4.304 -4.658 1.00 0.00 O ATOM 524 CB PHE A 34 3.081 3.975 -1.628 1.00 0.00 C ATOM 525 CG PHE A 34 3.459 2.912 -0.624 1.00 0.00 C ATOM 526 CD1 PHE A 34 4.056 3.265 0.594 1.00 0.00 C ATOM 527 CD2 PHE A 34 3.217 1.560 -0.914 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.419 2.273 1.512 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.575 0.567 0.007 1.00 0.00 C ATOM 530 CZ PHE A 34 4.181 0.924 1.218 1.00 0.00 C ATOM 0 H PHE A 34 4.494 6.122 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 34 4.872 3.579 -2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.674 4.836 -1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.287 3.592 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.236 4.305 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.754 1.285 -1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.883 2.548 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.384 -0.472 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.465 0.159 1.926 1.00 0.00 H new ATOM 540 N GLU A 35 3.876 6.345 -3.980 1.00 0.00 N ATOM 541 CA GLU A 35 3.434 6.989 -5.216 1.00 0.00 C ATOM 542 C GLU A 35 4.321 6.586 -6.400 1.00 0.00 C ATOM 543 O GLU A 35 3.902 6.696 -7.552 1.00 0.00 O ATOM 544 CB GLU A 35 3.379 8.509 -5.043 1.00 0.00 C ATOM 545 CG GLU A 35 3.093 9.239 -6.352 1.00 0.00 C ATOM 546 CD GLU A 35 2.704 10.692 -6.085 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.543 10.913 -5.672 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.572 11.569 -6.294 1.00 0.00 O ATOM 0 H GLU A 35 4.283 6.977 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 35 2.425 6.643 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.608 8.760 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.328 8.859 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.974 9.205 -6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.289 8.734 -6.888 1.00 0.00 H new ATOM 555 N LYS A 36 5.543 6.113 -6.131 1.00 0.00 N ATOM 556 CA LYS A 36 6.459 5.690 -7.182 1.00 0.00 C ATOM 557 C LYS A 36 6.004 4.392 -7.839 1.00 0.00 C ATOM 558 O LYS A 36 6.431 4.064 -8.946 1.00 0.00 O ATOM 559 CB LYS A 36 7.862 5.536 -6.594 1.00 0.00 C ATOM 560 CG LYS A 36 7.968 4.332 -5.657 1.00 0.00 C ATOM 561 CD LYS A 36 9.374 4.212 -5.064 1.00 0.00 C ATOM 562 CE LYS A 36 9.700 5.420 -4.184 1.00 0.00 C ATOM 563 NZ LYS A 36 11.027 5.273 -3.562 1.00 0.00 N ATOM 0 H LYS A 36 5.917 6.015 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 36 6.470 6.453 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.583 5.428 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.127 6.442 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.239 4.429 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.722 3.421 -6.202 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.448 3.298 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.106 4.134 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.674 6.330 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.940 5.527 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.227 6.104 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.041 4.416 -2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.751 5.195 -4.304 1.00 0.00 H new ATOM 577 N TYR A 37 5.132 3.654 -7.150 1.00 0.00 N ATOM 578 CA TYR A 37 4.564 2.405 -7.641 1.00 0.00 C ATOM 579 C TYR A 37 3.322 2.666 -8.490 1.00 0.00 C ATOM 580 O TYR A 37 2.886 1.789 -9.235 1.00 0.00 O ATOM 581 CB TYR A 37 4.162 1.532 -6.454 1.00 0.00 C ATOM 582 CG TYR A 37 5.331 1.122 -5.595 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.882 2.032 -4.681 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.854 -0.172 -5.714 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.978 1.664 -3.891 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.956 -0.545 -4.932 1.00 0.00 C ATOM 587 CZ TYR A 37 7.534 0.376 -4.032 1.00 0.00 C ATOM 588 OH TYR A 37 8.631 0.025 -3.304 1.00 0.00 O ATOM 0 H TYR A 37 4.798 3.914 -6.222 1.00 0.00 H new ATOM 0 HA TYR A 37 5.316 1.905 -8.252 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.441 2.073 -5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.659 0.638 -6.823 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.459 3.021 -4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.412 -0.877 -6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.394 2.361 -3.179 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.364 -1.541 -5.018 1.00 0.00 H new ATOM 0 HH TYR A 37 8.347 -0.360 -2.449 1.00 0.00 H new ATOM 598 N GLY A 38 2.753 3.865 -8.377 1.00 0.00 N ATOM 599 CA GLY A 38 1.526 4.239 -9.047 1.00 0.00 C ATOM 600 C GLY A 38 0.686 5.085 -8.101 1.00 0.00 C ATOM 601 O GLY A 38 1.134 5.464 -7.021 1.00 0.00 O ATOM 0 H GLY A 38 3.146 4.612 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.748 4.798 -9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.974 3.348 -9.347 1.00 0.00 H new ATOM 605 N ARG A 39 -0.544 5.383 -8.512 1.00 0.00 N ATOM 606 CA ARG A 39 -1.460 6.166 -7.695 1.00 0.00 C ATOM 607 C ARG A 39 -1.850 5.376 -6.449 1.00 0.00 C ATOM 608 O ARG A 39 -2.528 4.355 -6.535 1.00 0.00 O ATOM 609 CB ARG A 39 -2.676 6.598 -8.523 1.00 0.00 C ATOM 610 CG ARG A 39 -3.443 5.445 -9.182 1.00 0.00 C ATOM 611 CD ARG A 39 -4.470 6.018 -10.159 1.00 0.00 C ATOM 612 NE ARG A 39 -5.086 4.964 -10.977 1.00 0.00 N ATOM 613 CZ ARG A 39 -6.180 5.146 -11.719 1.00 0.00 C ATOM 614 NH1 ARG A 39 -6.807 6.323 -11.722 1.00 0.00 N ATOM 615 NH2 ARG A 39 -6.660 4.155 -12.466 1.00 0.00 N ATOM 0 H ARG A 39 -0.928 5.091 -9.411 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.966 7.078 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.360 7.150 -7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.344 7.287 -9.300 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.752 4.786 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.942 4.843 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.244 6.548 -9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.987 6.748 -10.809 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.653 4.041 -10.978 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.451 7.092 -11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.643 6.454 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.191 3.249 -12.474 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.497 4.301 -13.031 1.00 0.00 H new ATOM 629 N VAL A 40 -1.416 5.859 -5.280 1.00 0.00 N ATOM 630 CA VAL A 40 -1.792 5.246 -4.007 1.00 0.00 C ATOM 631 C VAL A 40 -3.290 5.380 -3.756 1.00 0.00 C ATOM 632 O VAL A 40 -3.792 4.821 -2.791 1.00 0.00 O ATOM 633 CB VAL A 40 -1.031 5.850 -2.827 1.00 0.00 C ATOM 634 CG1 VAL A 40 0.475 5.730 -3.018 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.403 7.316 -2.595 1.00 0.00 C ATOM 0 H VAL A 40 -0.805 6.671 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.526 4.192 -4.084 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.324 5.278 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.987 6.169 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.748 4.678 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.770 6.257 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.839 7.705 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.165 7.897 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.470 7.392 -2.386 1.00 0.00 H new ATOM 645 N GLY A 41 -3.986 6.124 -4.626 1.00 0.00 N ATOM 646 CA GLY A 41 -5.434 6.294 -4.636 1.00 0.00 C ATOM 647 C GLY A 41 -5.955 7.108 -3.454 1.00 0.00 C ATOM 648 O GLY A 41 -6.552 8.162 -3.650 1.00 0.00 O ATOM 0 H GLY A 41 -3.528 6.645 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.729 6.784 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.908 5.313 -4.629 1.00 0.00 H new ATOM 652 N ASP A 42 -5.730 6.620 -2.238 1.00 0.00 N ATOM 653 CA ASP A 42 -6.151 7.288 -1.021 1.00 0.00 C ATOM 654 C ASP A 42 -5.215 6.900 0.124 1.00 0.00 C ATOM 655 O ASP A 42 -4.395 5.995 -0.018 1.00 0.00 O ATOM 656 CB ASP A 42 -7.608 6.906 -0.735 1.00 0.00 C ATOM 657 CG ASP A 42 -8.143 7.560 0.530 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.852 8.758 0.716 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.838 6.859 1.301 1.00 0.00 O ATOM 0 H ASP A 42 -5.244 5.739 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.097 8.371 -1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.230 7.197 -1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.685 5.823 -0.641 1.00 0.00 H new ATOM 664 N VAL A 43 -5.337 7.587 1.259 1.00 0.00 N ATOM 665 CA VAL A 43 -4.450 7.409 2.399 1.00 0.00 C ATOM 666 C VAL A 43 -5.252 7.559 3.682 1.00 0.00 C ATOM 667 O VAL A 43 -6.090 8.456 3.796 1.00 0.00 O ATOM 668 CB VAL A 43 -3.337 8.465 2.309 1.00 0.00 C ATOM 669 CG1 VAL A 43 -2.848 8.939 3.679 1.00 0.00 C ATOM 670 CG2 VAL A 43 -2.152 7.938 1.495 1.00 0.00 C ATOM 0 H VAL A 43 -6.062 8.288 1.411 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.999 6.417 2.397 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.777 9.325 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.063 9.683 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.679 9.381 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.454 8.091 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.377 8.702 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.751 7.045 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.484 7.691 0.487 1.00 0.00 H new ATOM 680 N TYR A 44 -4.994 6.677 4.652 1.00 0.00 N ATOM 681 CA TYR A 44 -5.637 6.748 5.952 1.00 0.00 C ATOM 682 C TYR A 44 -4.746 6.155 7.041 1.00 0.00 C ATOM 683 O TYR A 44 -3.797 5.426 6.750 1.00 0.00 O ATOM 684 CB TYR A 44 -6.994 6.043 5.916 1.00 0.00 C ATOM 685 CG TYR A 44 -7.758 6.335 7.179 1.00 0.00 C ATOM 686 CD1 TYR A 44 -8.144 7.655 7.456 1.00 0.00 C ATOM 687 CD2 TYR A 44 -8.047 5.304 8.082 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.783 7.955 8.667 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.694 5.598 9.290 1.00 0.00 C ATOM 690 CZ TYR A 44 -9.049 6.928 9.589 1.00 0.00 C ATOM 691 OH TYR A 44 -9.652 7.222 10.771 1.00 0.00 O ATOM 0 H TYR A 44 -4.338 5.902 4.552 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.800 7.799 6.193 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.565 6.378 5.050 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.852 4.968 5.807 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.949 8.438 6.738 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.772 4.286 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.070 8.972 8.891 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.920 4.807 9.990 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.765 6.401 11.294 1.00 0.00 H new ATOM 701 N ILE A 45 -5.064 6.471 8.297 1.00 0.00 N ATOM 702 CA ILE A 45 -4.388 5.958 9.480 1.00 0.00 C ATOM 703 C ILE A 45 -5.444 5.774 10.572 1.00 0.00 C ATOM 704 O ILE A 45 -5.827 6.751 11.213 1.00 0.00 O ATOM 705 CB ILE A 45 -3.275 6.921 9.939 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.124 6.906 8.922 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.750 6.506 11.318 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.993 7.856 9.311 1.00 0.00 C ATOM 0 H ILE A 45 -5.825 7.112 8.522 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.907 5.005 9.259 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.687 7.928 10.006 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.731 5.893 8.837 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.507 7.183 7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.965 7.194 11.630 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.565 6.533 12.041 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.346 5.495 11.264 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.204 7.809 8.561 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.377 8.874 9.370 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.590 7.564 10.281 1.00 0.00 H new ATOM 720 N PRO A 46 -5.911 4.533 10.785 1.00 0.00 N ATOM 721 CA PRO A 46 -6.840 4.111 11.835 1.00 0.00 C ATOM 722 C PRO A 46 -6.453 4.446 13.276 1.00 0.00 C ATOM 723 O PRO A 46 -6.957 3.805 14.199 1.00 0.00 O ATOM 724 CB PRO A 46 -6.996 2.603 11.660 1.00 0.00 C ATOM 725 CG PRO A 46 -6.714 2.403 10.180 1.00 0.00 C ATOM 726 CD PRO A 46 -5.585 3.402 9.940 1.00 0.00 C ATOM 0 HA PRO A 46 -7.763 4.676 11.705 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.294 2.049 12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.997 2.266 11.930 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.410 1.381 9.956 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.588 2.618 9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.617 2.977 10.204 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.530 3.694 8.891 1.00 0.00 H new ATOM 734 N ARG A 47 -5.572 5.427 13.493 1.00 0.00 N ATOM 735 CA ARG A 47 -5.223 5.907 14.824 1.00 0.00 C ATOM 736 C ARG A 47 -6.514 6.127 15.609 1.00 0.00 C ATOM 737 O ARG A 47 -7.375 6.882 15.167 1.00 0.00 O ATOM 738 CB ARG A 47 -4.393 7.189 14.684 1.00 0.00 C ATOM 739 CG ARG A 47 -3.985 7.752 16.042 1.00 0.00 C ATOM 740 CD ARG A 47 -3.003 8.905 15.850 1.00 0.00 C ATOM 741 NE ARG A 47 -3.641 10.044 15.182 1.00 0.00 N ATOM 742 CZ ARG A 47 -3.056 11.230 14.991 1.00 0.00 C ATOM 743 NH1 ARG A 47 -1.808 11.451 15.399 1.00 0.00 N ATOM 744 NH2 ARG A 47 -3.718 12.209 14.386 1.00 0.00 N ATOM 0 H ARG A 47 -5.080 5.911 12.742 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.618 5.183 15.370 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.500 6.981 14.094 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.969 7.937 14.139 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.866 8.099 16.582 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.528 6.970 16.648 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.615 9.220 16.819 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.151 8.566 15.260 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.594 9.923 14.841 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.285 10.709 15.865 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.375 12.362 15.246 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.674 12.056 14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.270 13.114 14.241 1.00 0.00 H new ATOM 758 N ASP A 48 -6.646 5.463 16.761 1.00 0.00 N ATOM 759 CA ASP A 48 -7.890 5.458 17.521 1.00 0.00 C ATOM 760 C ASP A 48 -8.409 6.880 17.738 1.00 0.00 C ATOM 761 O ASP A 48 -7.665 7.774 18.139 1.00 0.00 O ATOM 762 CB ASP A 48 -7.687 4.714 18.838 1.00 0.00 C ATOM 763 CG ASP A 48 -8.997 4.563 19.602 1.00 0.00 C ATOM 764 OD1 ASP A 48 -9.546 5.610 20.013 1.00 0.00 O ATOM 765 OD2 ASP A 48 -9.435 3.404 19.761 1.00 0.00 O ATOM 0 H ASP A 48 -5.896 4.918 17.187 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.654 4.931 16.950 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.265 3.729 18.639 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.966 5.252 19.453 1.00 0.00 H new ATOM 770 N ARG A 49 -9.702 7.064 17.461 1.00 0.00 N ATOM 771 CA ARG A 49 -10.367 8.357 17.423 1.00 0.00 C ATOM 772 C ARG A 49 -10.462 9.041 18.791 1.00 0.00 C ATOM 773 O ARG A 49 -10.921 10.182 18.868 1.00 0.00 O ATOM 774 CB ARG A 49 -11.748 8.126 16.799 1.00 0.00 C ATOM 775 CG ARG A 49 -12.430 9.421 16.356 1.00 0.00 C ATOM 776 CD ARG A 49 -13.667 9.065 15.531 1.00 0.00 C ATOM 777 NE ARG A 49 -14.318 10.275 15.011 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.463 10.790 15.463 1.00 0.00 C ATOM 779 NH1 ARG A 49 -16.133 10.228 16.465 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.951 11.890 14.897 1.00 0.00 N ATOM 0 H ARG A 49 -10.330 6.288 17.251 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.776 9.050 16.825 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.646 7.464 15.939 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.385 7.615 17.521 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.713 10.015 17.225 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.743 10.027 15.765 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.382 8.416 14.703 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.371 8.505 16.147 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.857 10.761 14.242 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.774 9.382 16.908 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.006 10.643 16.791 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.451 12.331 14.125 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.825 12.292 15.234 1.00 0.00 H new ATOM 794 N TYR A 50 -10.038 8.375 19.870 1.00 0.00 N ATOM 795 CA TYR A 50 -10.161 8.936 21.214 1.00 0.00 C ATOM 796 C TYR A 50 -8.984 8.582 22.125 1.00 0.00 C ATOM 797 O TYR A 50 -8.865 9.157 23.205 1.00 0.00 O ATOM 798 CB TYR A 50 -11.443 8.422 21.877 1.00 0.00 C ATOM 799 CG TYR A 50 -12.639 8.320 20.958 1.00 0.00 C ATOM 800 CD1 TYR A 50 -13.348 9.468 20.575 1.00 0.00 C ATOM 801 CD2 TYR A 50 -13.029 7.057 20.493 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.447 9.356 19.714 1.00 0.00 C ATOM 803 CE2 TYR A 50 -14.132 6.938 19.635 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.839 8.089 19.234 1.00 0.00 C ATOM 805 OH TYR A 50 -15.901 7.980 18.387 1.00 0.00 O ATOM 0 H TYR A 50 -9.609 7.450 19.837 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.180 10.019 21.090 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -11.245 7.438 22.302 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.696 9.083 22.706 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.047 10.437 20.944 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -12.481 6.177 20.795 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.994 10.239 19.418 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.439 5.965 19.282 1.00 0.00 H new ATOM 0 HH TYR A 50 -16.036 7.038 18.151 1.00 0.00 H new ATOM 815 N THR A 51 -8.117 7.652 21.712 1.00 0.00 N ATOM 816 CA THR A 51 -7.001 7.205 22.540 1.00 0.00 C ATOM 817 C THR A 51 -5.705 7.104 21.739 1.00 0.00 C ATOM 818 O THR A 51 -4.654 6.810 22.306 1.00 0.00 O ATOM 819 CB THR A 51 -7.332 5.844 23.166 1.00 0.00 C ATOM 820 OG1 THR A 51 -7.335 4.860 22.161 1.00 0.00 O ATOM 821 CG2 THR A 51 -8.705 5.845 23.842 1.00 0.00 C ATOM 0 H THR A 51 -8.171 7.194 20.802 1.00 0.00 H new ATOM 0 HA THR A 51 -6.850 7.947 23.324 1.00 0.00 H new ATOM 0 HB THR A 51 -6.574 5.635 23.921 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.173 3.981 22.563 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.900 4.862 24.272 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.721 6.596 24.632 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.473 6.077 23.105 1.00 0.00 H new ATOM 828 N LYS A 52 -5.784 7.346 20.424 1.00 0.00 N ATOM 829 CA LYS A 52 -4.669 7.295 19.481 1.00 0.00 C ATOM 830 C LYS A 52 -3.776 6.052 19.605 1.00 0.00 C ATOM 831 O LYS A 52 -2.638 6.076 19.143 1.00 0.00 O ATOM 832 CB LYS A 52 -3.852 8.587 19.596 1.00 0.00 C ATOM 833 CG LYS A 52 -4.726 9.812 19.302 1.00 0.00 C ATOM 834 CD LYS A 52 -3.906 11.102 19.343 1.00 0.00 C ATOM 835 CE LYS A 52 -3.314 11.331 20.735 1.00 0.00 C ATOM 836 NZ LYS A 52 -2.555 12.595 20.790 1.00 0.00 N ATOM 0 H LYS A 52 -6.665 7.593 19.974 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.106 7.210 18.486 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.430 8.668 20.598 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.015 8.556 18.899 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.189 9.704 18.321 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.534 9.869 20.032 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.104 11.051 18.607 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.537 11.947 19.069 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.114 11.352 21.475 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.660 10.499 20.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.165 12.724 21.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.778 12.563 20.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.187 13.389 20.563 1.00 0.00 H new ATOM 850 N GLU A 53 -4.274 4.976 20.220 1.00 0.00 N ATOM 851 CA GLU A 53 -3.497 3.764 20.469 1.00 0.00 C ATOM 852 C GLU A 53 -3.190 2.951 19.201 1.00 0.00 C ATOM 853 O GLU A 53 -2.801 1.789 19.306 1.00 0.00 O ATOM 854 CB GLU A 53 -4.225 2.901 21.506 1.00 0.00 C ATOM 855 CG GLU A 53 -5.553 2.360 20.973 1.00 0.00 C ATOM 856 CD GLU A 53 -6.262 1.522 22.035 1.00 0.00 C ATOM 857 OE1 GLU A 53 -6.897 2.128 22.927 1.00 0.00 O ATOM 858 OE2 GLU A 53 -6.162 0.276 21.950 1.00 0.00 O ATOM 0 H GLU A 53 -5.234 4.923 20.560 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.527 4.079 20.852 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.585 2.068 21.797 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.408 3.491 22.404 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.193 3.189 20.670 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.374 1.754 20.085 1.00 0.00 H new ATOM 865 N SER A 54 -3.354 3.540 18.009 1.00 0.00 N ATOM 866 CA SER A 54 -3.178 2.823 16.752 1.00 0.00 C ATOM 867 C SER A 54 -2.349 3.641 15.756 1.00 0.00 C ATOM 868 O SER A 54 -2.365 3.361 14.561 1.00 0.00 O ATOM 869 CB SER A 54 -4.549 2.458 16.171 1.00 0.00 C ATOM 870 OG SER A 54 -5.251 1.628 17.072 1.00 0.00 O ATOM 0 H SER A 54 -3.611 4.521 17.895 1.00 0.00 H new ATOM 0 HA SER A 54 -2.625 1.904 16.946 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.123 3.364 15.976 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.424 1.948 15.216 1.00 0.00 H new ATOM 0 HG SER A 54 -6.126 1.401 16.694 1.00 0.00 H new ATOM 876 N ARG A 55 -1.620 4.648 16.248 1.00 0.00 N ATOM 877 CA ARG A 55 -0.734 5.483 15.443 1.00 0.00 C ATOM 878 C ARG A 55 0.419 4.677 14.839 1.00 0.00 C ATOM 879 O ARG A 55 1.137 5.172 13.973 1.00 0.00 O ATOM 880 CB ARG A 55 -0.218 6.607 16.350 1.00 0.00 C ATOM 881 CG ARG A 55 0.692 7.616 15.633 1.00 0.00 C ATOM 882 CD ARG A 55 2.169 7.293 15.869 1.00 0.00 C ATOM 883 NE ARG A 55 3.043 8.259 15.195 1.00 0.00 N ATOM 884 CZ ARG A 55 3.396 8.189 13.909 1.00 0.00 C ATOM 885 NH1 ARG A 55 2.969 7.197 13.130 1.00 0.00 N ATOM 886 NH2 ARG A 55 4.189 9.119 13.391 1.00 0.00 N ATOM 0 H ARG A 55 -1.632 4.907 17.234 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.280 5.897 14.596 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.070 7.138 16.774 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.330 6.166 17.183 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.481 7.605 14.564 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.476 8.623 15.990 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.377 7.297 16.939 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.386 6.289 15.505 1.00 0.00 H new ATOM 0 HE ARG A 55 3.406 9.037 15.746 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.361 6.473 13.513 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.250 7.161 12.150 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.527 9.884 13.975 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.461 9.068 12.409 1.00 0.00 H new ATOM 900 N GLY A 56 0.599 3.436 15.300 1.00 0.00 N ATOM 901 CA GLY A 56 1.732 2.597 14.940 1.00 0.00 C ATOM 902 C GLY A 56 1.625 1.951 13.558 1.00 0.00 C ATOM 903 O GLY A 56 2.498 1.164 13.195 1.00 0.00 O ATOM 0 H GLY A 56 -0.051 2.985 15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.640 3.198 14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.839 1.811 15.688 1.00 0.00 H new ATOM 907 N PHE A 57 0.587 2.259 12.776 1.00 0.00 N ATOM 908 CA PHE A 57 0.444 1.714 11.434 1.00 0.00 C ATOM 909 C PHE A 57 -0.402 2.634 10.558 1.00 0.00 C ATOM 910 O PHE A 57 -0.783 3.719 10.987 1.00 0.00 O ATOM 911 CB PHE A 57 -0.143 0.304 11.511 1.00 0.00 C ATOM 912 CG PHE A 57 -1.578 0.287 11.974 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.602 0.384 11.026 1.00 0.00 C ATOM 914 CD2 PHE A 57 -1.883 0.182 13.333 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.936 0.402 11.435 1.00 0.00 C ATOM 916 CE2 PHE A 57 -3.223 0.175 13.743 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.250 0.288 12.796 1.00 0.00 C ATOM 0 H PHE A 57 -0.167 2.886 13.056 1.00 0.00 H new ATOM 0 HA PHE A 57 1.427 1.649 10.968 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.078 -0.164 10.529 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.460 -0.298 12.191 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.360 0.445 9.975 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.091 0.107 14.063 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.725 0.504 10.704 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.465 0.082 14.791 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.282 0.287 13.115 1.00 0.00 H new ATOM 927 N ALA A 58 -0.695 2.200 9.326 1.00 0.00 N ATOM 928 CA ALA A 58 -1.450 2.992 8.364 1.00 0.00 C ATOM 929 C ALA A 58 -2.330 2.115 7.468 1.00 0.00 C ATOM 930 O ALA A 58 -2.402 0.901 7.638 1.00 0.00 O ATOM 931 CB ALA A 58 -0.471 3.812 7.523 1.00 0.00 C ATOM 0 H ALA A 58 -0.411 1.286 8.973 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.120 3.657 8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.025 4.409 6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.104 4.471 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.207 3.141 6.996 1.00 0.00 H new ATOM 937 N PHE A 59 -3.004 2.759 6.512 1.00 0.00 N ATOM 938 CA PHE A 59 -3.921 2.146 5.566 1.00 0.00 C ATOM 939 C PHE A 59 -3.951 2.980 4.278 1.00 0.00 C ATOM 940 O PHE A 59 -4.948 3.653 4.006 1.00 0.00 O ATOM 941 CB PHE A 59 -5.294 2.089 6.238 1.00 0.00 C ATOM 942 CG PHE A 59 -6.338 1.202 5.589 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.355 0.958 4.208 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.312 0.612 6.406 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.338 0.136 3.647 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.288 -0.223 5.848 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.299 -0.461 4.468 1.00 0.00 C ATOM 0 H PHE A 59 -2.917 3.766 6.376 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.610 1.138 5.293 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.155 1.754 7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.691 3.103 6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.605 1.407 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.310 0.802 7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.354 -0.037 2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.032 -0.683 6.482 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.051 -1.106 4.038 1.00 0.00 H new ATOM 957 N VAL A 60 -2.882 2.961 3.465 1.00 0.00 N ATOM 958 CA VAL A 60 -2.994 3.581 2.136 1.00 0.00 C ATOM 959 C VAL A 60 -3.934 2.702 1.319 1.00 0.00 C ATOM 960 O VAL A 60 -4.158 1.562 1.714 1.00 0.00 O ATOM 961 CB VAL A 60 -1.653 3.784 1.403 1.00 0.00 C ATOM 962 CG1 VAL A 60 -0.522 4.156 2.359 1.00 0.00 C ATOM 963 CG2 VAL A 60 -1.278 2.584 0.545 1.00 0.00 C ATOM 0 H VAL A 60 -1.977 2.547 3.687 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.379 4.593 2.262 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.800 4.629 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.402 4.288 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.770 5.085 2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.389 3.361 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.326 2.775 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.188 1.700 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.051 2.417 -0.205 1.00 0.00 H new ATOM 973 N ARG A 61 -4.480 3.202 0.204 1.00 0.00 N ATOM 974 CA ARG A 61 -5.542 2.495 -0.515 1.00 0.00 C ATOM 975 C ARG A 61 -5.488 2.728 -2.025 1.00 0.00 C ATOM 976 O ARG A 61 -6.177 3.609 -2.540 1.00 0.00 O ATOM 977 CB ARG A 61 -6.877 2.990 0.030 1.00 0.00 C ATOM 978 CG ARG A 61 -8.069 2.238 -0.570 1.00 0.00 C ATOM 979 CD ARG A 61 -9.318 3.125 -0.575 1.00 0.00 C ATOM 980 NE ARG A 61 -9.362 4.033 0.577 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.551 3.656 1.842 1.00 0.00 C ATOM 982 NH1 ARG A 61 -9.788 2.387 2.158 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.500 4.574 2.797 1.00 0.00 N ATOM 0 H ARG A 61 -4.204 4.089 -0.217 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.413 1.424 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.888 2.877 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.980 4.055 -0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.834 1.925 -1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.262 1.332 0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.343 3.708 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.208 2.495 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.239 5.029 0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.828 1.678 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.929 2.122 3.133 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.319 5.549 2.558 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.642 4.305 3.771 1.00 0.00 H new ATOM 997 N PHE A 62 -4.676 1.944 -2.743 1.00 0.00 N ATOM 998 CA PHE A 62 -4.578 2.083 -4.194 1.00 0.00 C ATOM 999 C PHE A 62 -5.929 1.774 -4.831 1.00 0.00 C ATOM 1000 O PHE A 62 -6.666 0.945 -4.300 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.521 1.135 -4.755 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.086 1.490 -4.424 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.645 1.542 -3.092 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.189 1.770 -5.464 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.312 1.859 -2.801 1.00 0.00 C ATOM 1006 CE2 PHE A 62 0.147 2.065 -5.177 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.592 2.089 -3.851 1.00 0.00 C ATOM 0 H PHE A 62 -4.084 1.215 -2.345 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.288 3.108 -4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.724 0.131 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.628 1.100 -5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.337 1.337 -2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.530 1.758 -6.489 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.019 1.926 -1.775 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.837 2.275 -5.981 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.632 2.285 -3.634 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.235 2.435 -5.956 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.511 2.289 -6.658 1.00 0.00 C ATOM 1019 C HIS A 63 -7.381 1.450 -7.923 1.00 0.00 C ATOM 1020 O HIS A 63 -8.395 1.107 -8.532 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.020 3.658 -7.105 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.488 4.560 -6.001 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.349 4.216 -4.953 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -8.135 5.873 -5.886 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.496 5.347 -4.239 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.776 6.352 -4.768 1.00 0.00 N ATOM 0 H HIS A 63 -5.596 3.091 -6.406 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.191 1.804 -5.957 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.223 4.163 -7.651 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.843 3.511 -7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.481 6.427 -6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -10.112 5.436 -3.356 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -8.716 7.303 -4.404 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.151 1.117 -8.325 1.00 0.00 N ATOM 1035 CA ASP A 64 -5.922 0.395 -9.565 1.00 0.00 C ATOM 1036 C ASP A 64 -5.070 -0.832 -9.295 1.00 0.00 C ATOM 1037 O ASP A 64 -4.042 -0.764 -8.622 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.273 1.336 -10.579 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.300 0.768 -11.995 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.935 -0.413 -12.166 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -5.692 1.539 -12.899 1.00 0.00 O ATOM 0 H ASP A 64 -5.302 1.339 -7.804 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.866 0.048 -9.984 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.791 2.295 -10.565 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.241 1.527 -10.286 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.521 -1.961 -9.833 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.966 -3.255 -9.510 1.00 0.00 C ATOM 1048 C LYS A 65 -3.538 -3.426 -10.026 1.00 0.00 C ATOM 1049 O LYS A 65 -2.774 -4.193 -9.447 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.891 -4.326 -10.078 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.730 -5.592 -9.244 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.699 -6.685 -9.700 1.00 0.00 C ATOM 1053 CE LYS A 65 -6.470 -7.035 -11.166 1.00 0.00 C ATOM 1054 NZ LYS A 65 -7.372 -8.118 -11.604 1.00 0.00 N ATOM 0 H LYS A 65 -6.285 -1.996 -10.507 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.901 -3.350 -8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.926 -3.985 -10.054 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.645 -4.525 -11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.705 -5.955 -9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.906 -5.363 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.567 -7.575 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.726 -6.349 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.632 -6.151 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.434 -7.340 -11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.193 -8.335 -12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.199 -8.968 -11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.360 -7.816 -11.486 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.158 -2.729 -11.103 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.819 -2.878 -11.657 1.00 0.00 C ATOM 1070 C ARG A 66 -0.790 -2.242 -10.726 1.00 0.00 C ATOM 1071 O ARG A 66 0.270 -2.811 -10.471 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.782 -2.274 -13.067 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.752 -0.745 -13.056 1.00 0.00 C ATOM 1074 CD ARG A 66 -2.122 -0.181 -14.426 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.558 -0.346 -14.685 1.00 0.00 N ATOM 1076 CZ ARG A 66 -4.127 -0.335 -15.894 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.393 -0.179 -16.993 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.442 -0.487 -16.001 1.00 0.00 N ATOM 0 H ARG A 66 -3.754 -2.066 -11.599 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.563 -3.934 -11.739 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.903 -2.646 -13.594 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.655 -2.612 -13.625 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.446 -0.369 -12.304 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.758 -0.399 -12.773 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.858 0.875 -14.473 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.547 -0.688 -15.201 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.169 -0.479 -13.879 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.382 -0.066 -16.919 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.841 -0.173 -17.909 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.011 -0.611 -15.164 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.883 -0.480 -16.921 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.122 -1.052 -10.212 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.271 -0.328 -9.281 1.00 0.00 C ATOM 1094 C ASP A 67 -0.293 -1.036 -7.931 1.00 0.00 C ATOM 1095 O ASP A 67 0.676 -0.967 -7.179 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.789 1.103 -9.141 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.798 1.835 -10.482 1.00 0.00 C ATOM 1098 OD1 ASP A 67 0.184 1.686 -11.242 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.797 2.546 -10.735 1.00 0.00 O ATOM 0 H ASP A 67 -1.992 -0.569 -10.435 1.00 0.00 H new ATOM 0 HA ASP A 67 0.755 -0.300 -9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.798 1.086 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.165 1.648 -8.433 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.401 -1.721 -7.625 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.552 -2.427 -6.368 1.00 0.00 C ATOM 1106 C ALA A 68 -0.784 -3.752 -6.349 1.00 0.00 C ATOM 1107 O ALA A 68 -0.175 -4.095 -5.334 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.036 -2.699 -6.132 1.00 0.00 C ATOM 0 H ALA A 68 -2.208 -1.795 -8.244 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.139 -1.800 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.163 -3.230 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.577 -1.754 -6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.428 -3.308 -6.947 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.800 -4.507 -7.449 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.116 -5.791 -7.476 1.00 0.00 C ATOM 1116 C GLU A 69 1.396 -5.602 -7.418 1.00 0.00 C ATOM 1117 O GLU A 69 2.091 -6.443 -6.856 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.494 -6.581 -8.727 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.899 -7.169 -8.601 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.261 -7.982 -9.840 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -2.662 -7.363 -10.850 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.134 -9.226 -9.770 1.00 0.00 O ATOM 0 H GLU A 69 -1.272 -4.253 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.431 -6.354 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.445 -5.931 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.227 -7.383 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.954 -7.803 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.623 -6.366 -8.464 1.00 0.00 H new ATOM 1129 N ASP A 70 1.921 -4.511 -7.986 1.00 0.00 N ATOM 1130 CA ASP A 70 3.347 -4.243 -7.882 1.00 0.00 C ATOM 1131 C ASP A 70 3.699 -3.781 -6.472 1.00 0.00 C ATOM 1132 O ASP A 70 4.740 -4.157 -5.927 1.00 0.00 O ATOM 1133 CB ASP A 70 3.739 -3.148 -8.868 1.00 0.00 C ATOM 1134 CG ASP A 70 3.728 -3.631 -10.317 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.874 -4.854 -10.533 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.576 -2.766 -11.208 1.00 0.00 O ATOM 0 H ASP A 70 1.388 -3.817 -8.510 1.00 0.00 H new ATOM 0 HA ASP A 70 3.888 -5.162 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.053 -2.308 -8.764 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.734 -2.779 -8.619 1.00 0.00 H new ATOM 1141 N ALA A 71 2.835 -2.961 -5.872 1.00 0.00 N ATOM 1142 CA ALA A 71 3.094 -2.397 -4.563 1.00 0.00 C ATOM 1143 C ALA A 71 3.242 -3.489 -3.509 1.00 0.00 C ATOM 1144 O ALA A 71 4.031 -3.327 -2.582 1.00 0.00 O ATOM 1145 CB ALA A 71 1.969 -1.435 -4.191 1.00 0.00 C ATOM 0 H ALA A 71 1.946 -2.676 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 71 4.036 -1.850 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.164 -1.011 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.917 -0.633 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.021 -1.973 -4.173 1.00 0.00 H new ATOM 1151 N MET A 72 2.504 -4.597 -3.626 1.00 0.00 N ATOM 1152 CA MET A 72 2.606 -5.649 -2.625 1.00 0.00 C ATOM 1153 C MET A 72 3.713 -6.633 -2.994 1.00 0.00 C ATOM 1154 O MET A 72 4.307 -7.246 -2.114 1.00 0.00 O ATOM 1155 CB MET A 72 1.264 -6.367 -2.474 1.00 0.00 C ATOM 1156 CG MET A 72 0.996 -7.226 -3.703 1.00 0.00 C ATOM 1157 SD MET A 72 -0.664 -7.934 -3.788 1.00 0.00 S ATOM 1158 CE MET A 72 -0.439 -8.918 -5.293 1.00 0.00 C ATOM 0 H MET A 72 1.848 -4.782 -4.385 1.00 0.00 H new ATOM 0 HA MET A 72 2.862 -5.197 -1.667 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.273 -6.989 -1.579 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.464 -5.638 -2.347 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.164 -6.622 -4.594 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.723 -8.038 -3.727 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.386 -8.987 -5.828 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.305 -8.441 -5.932 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.100 -9.919 -5.026 1.00 0.00 H new ATOM 1168 N ASP A 73 3.996 -6.784 -4.290 1.00 0.00 N ATOM 1169 CA ASP A 73 5.042 -7.682 -4.753 1.00 0.00 C ATOM 1170 C ASP A 73 6.433 -7.132 -4.429 1.00 0.00 C ATOM 1171 O ASP A 73 7.426 -7.839 -4.578 1.00 0.00 O ATOM 1172 CB ASP A 73 4.879 -7.897 -6.260 1.00 0.00 C ATOM 1173 CG ASP A 73 5.883 -8.909 -6.799 1.00 0.00 C ATOM 1174 OD1 ASP A 73 5.809 -10.081 -6.370 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.719 -8.506 -7.640 1.00 0.00 O ATOM 0 H ASP A 73 3.508 -6.290 -5.037 1.00 0.00 H new ATOM 0 HA ASP A 73 4.947 -8.636 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.867 -8.242 -6.471 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.006 -6.947 -6.779 1.00 0.00 H new ATOM 1180 N ALA A 74 6.511 -5.872 -3.983 1.00 0.00 N ATOM 1181 CA ALA A 74 7.781 -5.247 -3.653 1.00 0.00 C ATOM 1182 C ALA A 74 7.806 -4.592 -2.273 1.00 0.00 C ATOM 1183 O ALA A 74 8.866 -4.146 -1.838 1.00 0.00 O ATOM 1184 CB ALA A 74 8.075 -4.213 -4.732 1.00 0.00 C ATOM 0 H ALA A 74 5.700 -5.269 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 74 8.544 -6.025 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.024 -3.722 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.134 -4.706 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.278 -3.470 -4.750 1.00 0.00 H new ATOM 1190 N MET A 75 6.666 -4.529 -1.577 1.00 0.00 N ATOM 1191 CA MET A 75 6.628 -4.002 -0.214 1.00 0.00 C ATOM 1192 C MET A 75 6.126 -5.023 0.808 1.00 0.00 C ATOM 1193 O MET A 75 6.445 -4.882 1.987 1.00 0.00 O ATOM 1194 CB MET A 75 5.718 -2.781 -0.131 1.00 0.00 C ATOM 1195 CG MET A 75 6.173 -1.612 -1.003 1.00 0.00 C ATOM 1196 SD MET A 75 7.609 -0.719 -0.362 1.00 0.00 S ATOM 1197 CE MET A 75 7.050 0.977 -0.697 1.00 0.00 C ATOM 0 H MET A 75 5.762 -4.836 -1.936 1.00 0.00 H new ATOM 0 HA MET A 75 7.659 -3.741 0.026 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.709 -3.071 -0.426 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.664 -2.449 0.906 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.408 -1.987 -1.999 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.344 -0.912 -1.113 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.829 1.517 -1.236 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.144 0.949 -1.302 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.842 1.484 0.245 1.00 0.00 H new ATOM 1207 N ASP A 76 5.358 -6.044 0.416 1.00 0.00 N ATOM 1208 CA ASP A 76 4.910 -7.016 1.404 1.00 0.00 C ATOM 1209 C ASP A 76 6.100 -7.813 1.938 1.00 0.00 C ATOM 1210 O ASP A 76 6.818 -8.456 1.174 1.00 0.00 O ATOM 1211 CB ASP A 76 3.859 -7.954 0.814 1.00 0.00 C ATOM 1212 CG ASP A 76 3.329 -8.916 1.877 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.133 -8.460 3.031 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.126 -10.101 1.538 1.00 0.00 O ATOM 0 H ASP A 76 5.046 -6.212 -0.540 1.00 0.00 H new ATOM 0 HA ASP A 76 4.450 -6.475 2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.035 -7.371 0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.292 -8.520 -0.011 1.00 0.00 H new ATOM 1219 N GLY A 77 6.301 -7.768 3.258 1.00 0.00 N ATOM 1220 CA GLY A 77 7.390 -8.465 3.922 1.00 0.00 C ATOM 1221 C GLY A 77 8.727 -7.741 3.750 1.00 0.00 C ATOM 1222 O GLY A 77 9.754 -8.236 4.208 1.00 0.00 O ATOM 0 H GLY A 77 5.704 -7.241 3.895 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.164 -8.561 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.471 -9.475 3.521 1.00 0.00 H new ATOM 1226 N ALA A 78 8.718 -6.575 3.096 1.00 0.00 N ATOM 1227 CA ALA A 78 9.919 -5.788 2.860 1.00 0.00 C ATOM 1228 C ALA A 78 10.387 -5.090 4.136 1.00 0.00 C ATOM 1229 O ALA A 78 9.846 -5.317 5.220 1.00 0.00 O ATOM 1230 CB ALA A 78 9.631 -4.779 1.754 1.00 0.00 C ATOM 0 H ALA A 78 7.870 -6.154 2.716 1.00 0.00 H new ATOM 0 HA ALA A 78 10.728 -6.449 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.523 -4.181 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.350 -5.308 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.814 -4.126 2.061 1.00 0.00 H new ATOM 1236 N VAL A 79 11.403 -4.233 4.006 1.00 0.00 N ATOM 1237 CA VAL A 79 12.014 -3.524 5.124 1.00 0.00 C ATOM 1238 C VAL A 79 12.279 -2.069 4.738 1.00 0.00 C ATOM 1239 O VAL A 79 12.563 -1.765 3.578 1.00 0.00 O ATOM 1240 CB VAL A 79 13.323 -4.234 5.515 1.00 0.00 C ATOM 1241 CG1 VAL A 79 14.073 -3.477 6.615 1.00 0.00 C ATOM 1242 CG2 VAL A 79 13.033 -5.648 6.019 1.00 0.00 C ATOM 0 H VAL A 79 11.828 -4.012 3.106 1.00 0.00 H new ATOM 0 HA VAL A 79 11.338 -3.529 5.979 1.00 0.00 H new ATOM 0 HB VAL A 79 13.944 -4.268 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.991 -4.010 6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.319 -2.475 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.444 -3.407 7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.969 -6.136 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.383 -5.597 6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.540 -6.220 5.233 1.00 0.00 H new ATOM 1252 N LEU A 80 12.185 -1.174 5.723 1.00 0.00 N ATOM 1253 CA LEU A 80 12.442 0.250 5.566 1.00 0.00 C ATOM 1254 C LEU A 80 13.006 0.785 6.886 1.00 0.00 C ATOM 1255 O LEU A 80 12.353 0.706 7.921 1.00 0.00 O ATOM 1256 CB LEU A 80 11.129 0.940 5.181 1.00 0.00 C ATOM 1257 CG LEU A 80 11.170 2.471 5.296 1.00 0.00 C ATOM 1258 CD1 LEU A 80 12.306 3.067 4.465 1.00 0.00 C ATOM 1259 CD2 LEU A 80 9.848 3.043 4.781 1.00 0.00 C ATOM 0 H LEU A 80 11.921 -1.431 6.674 1.00 0.00 H new ATOM 0 HA LEU A 80 13.171 0.446 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.876 0.670 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.330 0.559 5.818 1.00 0.00 H new ATOM 0 HG LEU A 80 11.332 2.726 6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.304 4.152 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.259 2.670 4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.166 2.805 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.867 4.130 4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.709 2.756 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.025 2.651 5.378 1.00 0.00 H new ATOM 1271 N ASP A 81 14.223 1.328 6.851 1.00 0.00 N ATOM 1272 CA ASP A 81 14.931 1.817 8.033 1.00 0.00 C ATOM 1273 C ASP A 81 15.230 0.707 9.053 1.00 0.00 C ATOM 1274 O ASP A 81 16.000 0.929 9.989 1.00 0.00 O ATOM 1275 CB ASP A 81 14.143 2.980 8.655 1.00 0.00 C ATOM 1276 CG ASP A 81 14.955 3.688 9.737 1.00 0.00 C ATOM 1277 OD1 ASP A 81 16.018 4.254 9.393 1.00 0.00 O ATOM 1278 OD2 ASP A 81 14.508 3.658 10.902 1.00 0.00 O ATOM 0 H ASP A 81 14.752 1.442 5.987 1.00 0.00 H new ATOM 0 HA ASP A 81 15.908 2.182 7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.870 3.693 7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.214 2.604 9.083 1.00 0.00 H new ATOM 1283 N GLY A 82 14.642 -0.483 8.891 1.00 0.00 N ATOM 1284 CA GLY A 82 14.907 -1.630 9.759 1.00 0.00 C ATOM 1285 C GLY A 82 13.619 -2.297 10.233 1.00 0.00 C ATOM 1286 O GLY A 82 13.673 -3.318 10.922 1.00 0.00 O ATOM 0 H GLY A 82 13.967 -0.676 8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.516 -2.358 9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.486 -1.305 10.623 1.00 0.00 H new ATOM 1290 N ARG A 83 12.468 -1.724 9.870 1.00 0.00 N ATOM 1291 CA ARG A 83 11.146 -2.204 10.263 1.00 0.00 C ATOM 1292 C ARG A 83 10.747 -3.458 9.490 1.00 0.00 C ATOM 1293 O ARG A 83 11.573 -4.130 8.874 1.00 0.00 O ATOM 1294 CB ARG A 83 10.145 -1.076 9.994 1.00 0.00 C ATOM 1295 CG ARG A 83 9.877 -0.942 8.488 1.00 0.00 C ATOM 1296 CD ARG A 83 9.002 0.273 8.200 1.00 0.00 C ATOM 1297 NE ARG A 83 9.743 1.518 8.401 1.00 0.00 N ATOM 1298 CZ ARG A 83 9.218 2.734 8.236 1.00 0.00 C ATOM 1299 NH1 ARG A 83 7.957 2.873 7.842 1.00 0.00 N ATOM 1300 NH2 ARG A 83 9.950 3.814 8.466 1.00 0.00 N ATOM 0 H ARG A 83 12.432 -0.893 9.280 1.00 0.00 H new ATOM 0 HA ARG A 83 11.157 -2.474 11.319 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.211 -1.278 10.519 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.534 -0.136 10.385 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.822 -0.850 7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.388 -1.844 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.636 0.226 7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.128 0.258 8.851 1.00 0.00 H new ATOM 0 HE ARG A 83 10.721 1.453 8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.384 2.048 7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.561 3.805 7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.919 3.718 8.770 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.545 4.741 8.339 1.00 0.00 H new ATOM 1314 N GLU A 84 9.449 -3.758 9.536 1.00 0.00 N ATOM 1315 CA GLU A 84 8.809 -4.753 8.694 1.00 0.00 C ATOM 1316 C GLU A 84 7.706 -4.027 7.927 1.00 0.00 C ATOM 1317 O GLU A 84 7.248 -2.973 8.362 1.00 0.00 O ATOM 1318 CB GLU A 84 8.225 -5.880 9.547 1.00 0.00 C ATOM 1319 CG GLU A 84 9.335 -6.747 10.134 1.00 0.00 C ATOM 1320 CD GLU A 84 8.760 -7.891 10.965 1.00 0.00 C ATOM 1321 OE1 GLU A 84 8.456 -8.947 10.367 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.630 -7.704 12.196 1.00 0.00 O ATOM 0 H GLU A 84 8.802 -3.301 10.178 1.00 0.00 H new ATOM 0 HA GLU A 84 9.524 -5.210 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.623 -5.458 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.560 -6.494 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.949 -7.151 9.329 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.988 -6.135 10.756 1.00 0.00 H new ATOM 1329 N LEU A 85 7.272 -4.575 6.793 1.00 0.00 N ATOM 1330 CA LEU A 85 6.274 -3.913 5.968 1.00 0.00 C ATOM 1331 C LEU A 85 5.187 -4.908 5.577 1.00 0.00 C ATOM 1332 O LEU A 85 5.441 -6.105 5.452 1.00 0.00 O ATOM 1333 CB LEU A 85 6.955 -3.327 4.730 1.00 0.00 C ATOM 1334 CG LEU A 85 7.800 -2.090 5.053 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.588 -1.671 3.814 1.00 0.00 C ATOM 1336 CD2 LEU A 85 6.910 -0.922 5.467 1.00 0.00 C ATOM 0 H LEU A 85 7.596 -5.471 6.430 1.00 0.00 H new ATOM 0 HA LEU A 85 5.806 -3.102 6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.590 -4.087 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.196 -3.062 3.993 1.00 0.00 H new ATOM 0 HG LEU A 85 8.474 -2.344 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.188 -0.791 4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.243 -2.486 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.896 -1.436 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.530 -0.054 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.227 -0.679 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.337 -1.197 6.352 1.00 0.00 H new ATOM 1348 N ARG A 86 3.972 -4.398 5.381 1.00 0.00 N ATOM 1349 CA ARG A 86 2.815 -5.208 5.052 1.00 0.00 C ATOM 1350 C ARG A 86 1.924 -4.474 4.063 1.00 0.00 C ATOM 1351 O ARG A 86 1.655 -3.283 4.219 1.00 0.00 O ATOM 1352 CB ARG A 86 2.032 -5.513 6.332 1.00 0.00 C ATOM 1353 CG ARG A 86 2.651 -6.663 7.129 1.00 0.00 C ATOM 1354 CD ARG A 86 2.680 -7.943 6.294 1.00 0.00 C ATOM 1355 NE ARG A 86 3.194 -9.081 7.061 1.00 0.00 N ATOM 1356 CZ ARG A 86 3.675 -10.189 6.495 1.00 0.00 C ATOM 1357 NH1 ARG A 86 3.714 -10.317 5.170 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.117 -11.184 7.259 1.00 0.00 N ATOM 0 H ARG A 86 3.768 -3.401 5.448 1.00 0.00 H new ATOM 0 HA ARG A 86 3.147 -6.141 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.996 -4.620 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.003 -5.764 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.664 -6.398 7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.078 -6.830 8.041 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.674 -8.168 5.939 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.302 -7.788 5.412 1.00 0.00 H new ATOM 0 HE ARG A 86 3.183 -9.023 8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.373 -9.562 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.084 -11.170 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.088 -11.099 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.485 -12.032 6.829 1.00 0.00 H new ATOM 1372 N VAL A 87 1.475 -5.203 3.045 1.00 0.00 N ATOM 1373 CA VAL A 87 0.658 -4.671 1.966 1.00 0.00 C ATOM 1374 C VAL A 87 -0.218 -5.789 1.419 1.00 0.00 C ATOM 1375 O VAL A 87 0.296 -6.833 1.022 1.00 0.00 O ATOM 1376 CB VAL A 87 1.568 -4.157 0.846 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.711 -3.544 -0.255 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.544 -3.105 1.366 1.00 0.00 C ATOM 0 H VAL A 87 1.674 -6.199 2.948 1.00 0.00 H new ATOM 0 HA VAL A 87 0.039 -3.855 2.338 1.00 0.00 H new ATOM 0 HB VAL A 87 2.143 -4.998 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.354 -3.177 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.034 -4.300 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.131 -2.716 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.176 -2.759 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.987 -2.262 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.167 -3.541 2.147 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.539 -5.580 1.393 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.470 -6.573 0.879 1.00 0.00 C ATOM 1390 C GLN A 88 -3.821 -5.921 0.584 1.00 0.00 C ATOM 1391 O GLN A 88 -4.087 -4.809 1.033 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.639 -7.714 1.891 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.172 -7.249 3.252 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.121 -6.504 4.071 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.996 -6.968 4.224 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.482 -5.341 4.607 1.00 0.00 N ATOM 0 H GLN A 88 -1.983 -4.724 1.726 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.070 -6.986 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.320 -8.458 1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.678 -8.207 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.034 -6.600 3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.521 -8.114 3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.426 -4.983 4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.815 -4.807 5.164 1.00 0.00 H new ATOM 1405 N MET A 89 -4.679 -6.613 -0.168 1.00 0.00 N ATOM 1406 CA MET A 89 -5.988 -6.096 -0.537 1.00 0.00 C ATOM 1407 C MET A 89 -6.840 -5.866 0.713 1.00 0.00 C ATOM 1408 O MET A 89 -6.734 -6.612 1.689 1.00 0.00 O ATOM 1409 CB MET A 89 -6.668 -7.066 -1.503 1.00 0.00 C ATOM 1410 CG MET A 89 -5.802 -7.277 -2.748 1.00 0.00 C ATOM 1411 SD MET A 89 -5.498 -5.768 -3.707 1.00 0.00 S ATOM 1412 CE MET A 89 -4.172 -6.374 -4.783 1.00 0.00 C ATOM 0 H MET A 89 -4.482 -7.544 -0.535 1.00 0.00 H new ATOM 0 HA MET A 89 -5.871 -5.135 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.841 -8.021 -1.007 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.644 -6.676 -1.793 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.844 -7.699 -2.443 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.284 -8.012 -3.392 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.779 -5.548 -5.377 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.373 -6.795 -4.173 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.565 -7.143 -5.447 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.688 -4.834 0.689 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.520 -4.496 1.838 1.00 0.00 C ATOM 1424 C ALA A 90 -9.733 -5.423 1.940 1.00 0.00 C ATOM 1425 O ALA A 90 -9.960 -6.268 1.074 1.00 0.00 O ATOM 1426 CB ALA A 90 -8.955 -3.037 1.739 1.00 0.00 C ATOM 0 H ALA A 90 -7.814 -4.220 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.934 -4.633 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.577 -2.784 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.074 -2.395 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.525 -2.889 0.822 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.520 -5.255 3.008 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.729 -6.040 3.247 1.00 0.00 C ATOM 1434 C ARG A 91 -12.801 -5.196 3.943 1.00 0.00 C ATOM 1435 O ARG A 91 -12.615 -3.998 4.151 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.380 -7.278 4.083 1.00 0.00 C ATOM 1437 CG ARG A 91 -10.804 -6.879 5.441 1.00 0.00 C ATOM 1438 CD ARG A 91 -10.634 -8.082 6.367 1.00 0.00 C ATOM 1439 NE ARG A 91 -9.682 -9.055 5.822 1.00 0.00 N ATOM 1440 CZ ARG A 91 -9.495 -10.276 6.333 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -10.184 -10.685 7.396 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -8.611 -11.098 5.776 1.00 0.00 N ATOM 0 H ARG A 91 -10.332 -4.564 3.735 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.136 -6.363 2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.273 -7.887 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.659 -7.893 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.839 -6.393 5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.461 -6.148 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.289 -7.743 7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.600 -8.564 6.519 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.131 -8.785 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.866 -10.064 7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.030 -11.620 7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.077 -10.796 4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.466 -12.030 6.164 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.919 -5.844 4.293 1.00 0.00 N ATOM 1457 CA TYR A 92 -15.064 -5.227 4.952 1.00 0.00 C ATOM 1458 C TYR A 92 -15.633 -4.037 4.170 1.00 0.00 C ATOM 1459 O TYR A 92 -15.266 -3.798 3.021 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.689 -4.842 6.391 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.086 -5.956 7.222 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -14.602 -7.260 7.158 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.007 -5.669 8.072 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -14.032 -8.282 7.932 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -12.433 -6.685 8.851 1.00 0.00 C ATOM 1466 CZ TYR A 92 -12.940 -7.999 8.778 1.00 0.00 C ATOM 1467 OH TYR A 92 -12.372 -8.989 9.519 1.00 0.00 O ATOM 0 H TYR A 92 -14.050 -6.840 4.118 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.867 -5.963 4.983 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.982 -4.014 6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.583 -4.477 6.897 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -15.440 -7.477 6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.617 -4.663 8.127 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -14.429 -9.285 7.880 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.604 -6.461 9.506 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.631 -8.620 10.044 1.00 0.00 H new ATOM 1477 N GLY A 93 -16.539 -3.294 4.812 1.00 0.00 N ATOM 1478 CA GLY A 93 -17.222 -2.146 4.235 1.00 0.00 C ATOM 1479 C GLY A 93 -17.190 -0.976 5.215 1.00 0.00 C ATOM 1480 O GLY A 93 -18.197 -0.292 5.397 1.00 0.00 O ATOM 0 H GLY A 93 -16.821 -3.485 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.744 -1.860 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -18.254 -2.406 3.999 1.00 0.00 H new ATOM 1484 N ARG A 94 -16.016 -0.774 5.830 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.743 0.199 6.879 1.00 0.00 C ATOM 1486 C ARG A 94 -16.481 -0.124 8.186 1.00 0.00 C ATOM 1487 O ARG A 94 -17.547 -0.739 8.173 1.00 0.00 O ATOM 1488 CB ARG A 94 -16.020 1.626 6.396 1.00 0.00 C ATOM 1489 CG ARG A 94 -14.897 2.114 5.483 1.00 0.00 C ATOM 1490 CD ARG A 94 -15.192 3.555 5.059 1.00 0.00 C ATOM 1491 NE ARG A 94 -14.037 4.163 4.386 1.00 0.00 N ATOM 1492 CZ ARG A 94 -13.733 4.007 3.096 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -14.469 3.241 2.295 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -12.676 4.624 2.587 1.00 0.00 N ATOM 0 H ARG A 94 -15.189 -1.320 5.589 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.680 0.132 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.969 1.657 5.861 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.115 2.293 7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.940 2.063 6.002 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.819 1.472 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.053 3.570 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.457 4.147 5.935 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.420 4.750 4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.287 2.756 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -14.215 3.139 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.096 5.217 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.442 4.506 1.601 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.897 0.300 9.317 1.00 0.00 N ATOM 1509 CA PRO A 95 -16.420 0.098 10.661 1.00 0.00 C ATOM 1510 C PRO A 95 -17.892 0.492 10.783 1.00 0.00 C ATOM 1511 O PRO A 95 -18.241 1.649 10.533 1.00 0.00 O ATOM 1512 CB PRO A 95 -15.542 0.956 11.569 1.00 0.00 C ATOM 1513 CG PRO A 95 -14.228 1.101 10.810 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.641 1.018 9.348 1.00 0.00 C ATOM 0 HA PRO A 95 -16.388 -0.957 10.934 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.999 1.927 11.759 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.390 0.480 12.538 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.739 2.049 11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.525 0.310 11.072 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.753 2.014 8.919 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.883 0.500 8.759 1.00 0.00 H new ATOM 1522 N PRO A 96 -18.766 -0.446 11.164 1.00 0.00 N ATOM 1523 CA PRO A 96 -20.195 -0.208 11.285 1.00 0.00 C ATOM 1524 C PRO A 96 -20.593 0.386 12.638 1.00 0.00 C ATOM 1525 O PRO A 96 -21.705 0.899 12.766 1.00 0.00 O ATOM 1526 CB PRO A 96 -20.812 -1.601 11.141 1.00 0.00 C ATOM 1527 CG PRO A 96 -19.778 -2.488 11.834 1.00 0.00 C ATOM 1528 CD PRO A 96 -18.450 -1.835 11.458 1.00 0.00 C ATOM 0 HA PRO A 96 -20.532 0.514 10.541 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -21.789 -1.665 11.620 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -20.951 -1.878 10.096 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -19.925 -2.509 12.914 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -19.833 -3.519 11.485 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -17.732 -1.909 12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -18.002 -2.326 10.594 1.00 0.00 H new ATOM 1536 N ASP A 97 -19.718 0.329 13.648 1.00 0.00 N ATOM 1537 CA ASP A 97 -20.082 0.763 14.993 1.00 0.00 C ATOM 1538 C ASP A 97 -18.904 1.198 15.859 1.00 0.00 C ATOM 1539 O ASP A 97 -19.033 1.303 17.079 1.00 0.00 O ATOM 1540 CB ASP A 97 -20.848 -0.367 15.691 1.00 0.00 C ATOM 1541 CG ASP A 97 -19.944 -1.519 16.125 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -19.021 -1.869 15.359 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -20.188 -2.048 17.232 1.00 0.00 O ATOM 0 H ASP A 97 -18.761 -0.011 13.557 1.00 0.00 H new ATOM 0 HA ASP A 97 -20.701 1.652 14.873 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -21.361 0.035 16.565 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -21.616 -0.748 15.018 1.00 0.00 H new ATOM 1548 N SER A 98 -17.746 1.455 15.248 1.00 0.00 N ATOM 1549 CA SER A 98 -16.556 1.862 15.992 1.00 0.00 C ATOM 1550 C SER A 98 -16.583 3.343 16.374 1.00 0.00 C ATOM 1551 O SER A 98 -15.683 3.808 17.075 1.00 0.00 O ATOM 1552 CB SER A 98 -15.298 1.578 15.173 1.00 0.00 C ATOM 1553 OG SER A 98 -15.172 0.186 14.967 1.00 0.00 O ATOM 0 H SER A 98 -17.608 1.388 14.240 1.00 0.00 H new ATOM 0 HA SER A 98 -16.546 1.279 16.913 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.351 2.094 14.215 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.419 1.960 15.693 1.00 0.00 H new ATOM 0 HG SER A 98 -14.366 0.005 14.440 1.00 0.00 H new