USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.337 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 75:sc= 0.402 USER MOD Single : A 16 THR OG1 : rot -48:sc= -0.812 USER MOD Single : A 18 GLN : amide:sc= 0.0619 X(o=0.062,f=-0.12) USER MOD Single : A 27 TYR OH : rot 144:sc= 1.45 USER MOD Single : A 29 SER OG : rot 50:sc= 1.25 USER MOD Single : A 33 SER OG : rot 180:sc= -0.113 USER MOD Single : A 36 SER OG : rot 180:sc= -0.283 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 49:sc= 0.649 USER MOD Single : A 58 THR OG1 : rot 6:sc= 1.32 USER MOD Single : A 59 TYR OH : rot -139:sc= -2.3! USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0844) USER MOD Single : A 66 SER OG : rot 180:sc=0.000843 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.571 -12.315 15.999 1.00 0.00 N ATOM 2 CA ALA A 1 7.690 -11.007 15.288 1.00 0.00 C ATOM 3 C ALA A 1 8.239 -11.356 13.904 1.00 0.00 C ATOM 4 O ALA A 1 8.546 -12.508 13.674 1.00 0.00 O ATOM 5 CB ALA A 1 8.679 -10.069 16.024 1.00 0.00 C ATOM 0 H1 ALA A 1 6.566 -12.547 16.133 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.026 -13.060 15.434 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.038 -12.250 16.926 1.00 0.00 H new ATOM 0 HA ALA A 1 6.733 -10.487 15.240 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.750 -9.122 15.488 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.322 -9.887 17.037 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.662 -10.537 16.065 1.00 0.00 H new ATOM 13 N TYR A 2 8.345 -10.384 13.037 1.00 0.00 N ATOM 14 CA TYR A 2 8.867 -10.625 11.657 1.00 0.00 C ATOM 15 C TYR A 2 9.118 -9.282 10.971 1.00 0.00 C ATOM 16 O TYR A 2 8.700 -8.261 11.482 1.00 0.00 O ATOM 17 CB TYR A 2 7.828 -11.464 10.836 1.00 0.00 C ATOM 18 CG TYR A 2 6.356 -11.156 11.210 1.00 0.00 C ATOM 19 CD1 TYR A 2 5.881 -9.874 11.447 1.00 0.00 C ATOM 20 CD2 TYR A 2 5.470 -12.212 11.319 1.00 0.00 C ATOM 21 CE1 TYR A 2 4.558 -9.664 11.785 1.00 0.00 C ATOM 22 CE2 TYR A 2 4.151 -11.998 11.657 1.00 0.00 C ATOM 23 CZ TYR A 2 3.688 -10.726 11.892 1.00 0.00 C ATOM 24 OH TYR A 2 2.371 -10.528 12.238 1.00 0.00 O ATOM 0 H TYR A 2 8.088 -9.416 13.229 1.00 0.00 H new ATOM 0 HA TYR A 2 9.803 -11.182 11.711 1.00 0.00 H new ATOM 0 HB2 TYR A 2 7.974 -11.270 9.773 1.00 0.00 H new ATOM 0 HB3 TYR A 2 8.021 -12.525 10.995 1.00 0.00 H new ATOM 0 HD1 TYR A 2 6.552 -9.032 11.366 1.00 0.00 H new ATOM 0 HD2 TYR A 2 5.816 -13.219 11.137 1.00 0.00 H new ATOM 0 HE1 TYR A 2 4.204 -8.660 11.967 1.00 0.00 H new ATOM 0 HE2 TYR A 2 3.476 -12.837 11.738 1.00 0.00 H new ATOM 0 HH TYR A 2 1.906 -11.390 12.264 1.00 0.00 H new ATOM 34 N ARG A 3 9.785 -9.327 9.851 1.00 0.00 N ATOM 35 CA ARG A 3 10.093 -8.085 9.083 1.00 0.00 C ATOM 36 C ARG A 3 9.634 -8.317 7.629 1.00 0.00 C ATOM 37 O ARG A 3 10.448 -8.471 6.744 1.00 0.00 O ATOM 38 CB ARG A 3 11.621 -7.815 9.162 1.00 0.00 C ATOM 39 CG ARG A 3 12.014 -7.581 10.647 1.00 0.00 C ATOM 40 CD ARG A 3 13.470 -7.073 10.732 1.00 0.00 C ATOM 41 NE ARG A 3 13.802 -6.808 12.175 1.00 0.00 N ATOM 42 CZ ARG A 3 13.667 -5.609 12.658 1.00 0.00 C ATOM 43 NH1 ARG A 3 12.491 -5.258 13.080 1.00 0.00 N ATOM 44 NH2 ARG A 3 14.708 -4.837 12.684 1.00 0.00 N ATOM 0 H ARG A 3 10.136 -10.186 9.428 1.00 0.00 H new ATOM 0 HA ARG A 3 9.577 -7.215 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.175 -8.661 8.754 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.882 -6.944 8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.339 -6.855 11.101 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.910 -8.508 11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.154 -7.813 10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.588 -6.163 10.143 1.00 0.00 H new ATOM 0 HE ARG A 3 14.132 -7.566 12.772 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.713 -5.915 13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.345 -4.325 13.466 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.603 -5.176 12.331 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.632 -3.891 13.057 1.00 0.00 H new ATOM 58 N PRO A 4 8.337 -8.342 7.421 1.00 0.00 N ATOM 59 CA PRO A 4 7.716 -8.506 6.067 1.00 0.00 C ATOM 60 C PRO A 4 7.889 -7.196 5.283 1.00 0.00 C ATOM 61 O PRO A 4 6.967 -6.433 5.056 1.00 0.00 O ATOM 62 CB PRO A 4 6.272 -8.859 6.372 1.00 0.00 C ATOM 63 CG PRO A 4 6.035 -7.985 7.622 1.00 0.00 C ATOM 64 CD PRO A 4 7.288 -8.214 8.471 1.00 0.00 C ATOM 0 HA PRO A 4 8.164 -9.276 5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.600 -8.604 5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.138 -9.921 6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.917 -6.934 7.359 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.132 -8.284 8.154 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.483 -7.382 9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.210 -9.111 9.085 1.00 0.00 H new ATOM 72 N SER A 5 9.113 -6.993 4.915 1.00 0.00 N ATOM 73 CA SER A 5 9.502 -5.787 4.151 1.00 0.00 C ATOM 74 C SER A 5 9.914 -6.076 2.705 1.00 0.00 C ATOM 75 O SER A 5 9.174 -5.738 1.811 1.00 0.00 O ATOM 76 CB SER A 5 10.628 -5.136 4.934 1.00 0.00 C ATOM 77 OG SER A 5 10.078 -4.946 6.235 1.00 0.00 O ATOM 0 H SER A 5 9.883 -7.631 5.118 1.00 0.00 H new ATOM 0 HA SER A 5 8.642 -5.125 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.513 -5.772 4.964 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.930 -4.189 4.486 1.00 0.00 H new ATOM 0 HG SER A 5 10.747 -4.526 6.815 1.00 0.00 H new ATOM 83 N GLU A 6 11.049 -6.696 2.490 1.00 0.00 N ATOM 84 CA GLU A 6 11.530 -7.008 1.101 1.00 0.00 C ATOM 85 C GLU A 6 11.242 -5.868 0.075 1.00 0.00 C ATOM 86 O GLU A 6 11.186 -4.713 0.459 1.00 0.00 O ATOM 87 CB GLU A 6 10.872 -8.399 0.672 1.00 0.00 C ATOM 88 CG GLU A 6 9.417 -8.640 1.175 1.00 0.00 C ATOM 89 CD GLU A 6 9.325 -8.980 2.677 1.00 0.00 C ATOM 90 OE1 GLU A 6 10.343 -9.145 3.334 1.00 0.00 O ATOM 91 OE2 GLU A 6 8.194 -9.068 3.112 1.00 0.00 O ATOM 0 H GLU A 6 11.677 -7.006 3.232 1.00 0.00 H new ATOM 0 HA GLU A 6 12.617 -7.088 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.876 -8.462 -0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.503 -9.208 1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.822 -7.749 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.974 -9.453 0.600 1.00 0.00 H new ATOM 98 N THR A 7 11.103 -6.211 -1.188 1.00 0.00 N ATOM 99 CA THR A 7 10.817 -5.210 -2.282 1.00 0.00 C ATOM 100 C THR A 7 10.186 -5.953 -3.485 1.00 0.00 C ATOM 101 O THR A 7 10.530 -5.750 -4.635 1.00 0.00 O ATOM 102 CB THR A 7 12.120 -4.524 -2.766 1.00 0.00 C ATOM 103 OG1 THR A 7 12.882 -5.536 -3.420 1.00 0.00 O ATOM 104 CG2 THR A 7 13.056 -4.176 -1.639 1.00 0.00 C ATOM 0 H THR A 7 11.178 -7.173 -1.519 1.00 0.00 H new ATOM 0 HA THR A 7 10.142 -4.451 -1.887 1.00 0.00 H new ATOM 0 HB THR A 7 11.820 -3.647 -3.339 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.488 -5.727 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.949 -3.699 -2.042 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.559 -3.493 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.339 -5.084 -1.107 1.00 0.00 H new ATOM 112 N LEU A 8 9.278 -6.815 -3.154 1.00 0.00 N ATOM 113 CA LEU A 8 8.546 -7.641 -4.191 1.00 0.00 C ATOM 114 C LEU A 8 7.650 -6.772 -5.098 1.00 0.00 C ATOM 115 O LEU A 8 6.666 -6.236 -4.627 1.00 0.00 O ATOM 116 CB LEU A 8 7.683 -8.712 -3.463 1.00 0.00 C ATOM 117 CG LEU A 8 7.288 -8.304 -2.002 1.00 0.00 C ATOM 118 CD1 LEU A 8 6.642 -6.901 -1.914 1.00 0.00 C ATOM 119 CD2 LEU A 8 6.271 -9.324 -1.479 1.00 0.00 C ATOM 0 H LEU A 8 8.993 -6.999 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 8 9.287 -8.119 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.776 -8.891 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.233 -9.653 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 8 8.204 -8.283 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.392 -6.680 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.343 -6.154 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.735 -6.880 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.981 -9.060 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.390 -9.320 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.718 -10.318 -1.482 1.00 0.00 H new ATOM 131 N CYS A 9 7.949 -6.628 -6.371 1.00 0.00 N ATOM 132 CA CYS A 9 7.046 -5.762 -7.197 1.00 0.00 C ATOM 133 C CYS A 9 6.980 -6.017 -8.701 1.00 0.00 C ATOM 134 O CYS A 9 7.468 -6.999 -9.220 1.00 0.00 O ATOM 135 CB CYS A 9 7.467 -4.317 -6.974 1.00 0.00 C ATOM 136 SG CYS A 9 8.911 -3.751 -7.911 1.00 0.00 S ATOM 0 H CYS A 9 8.741 -7.051 -6.855 1.00 0.00 H new ATOM 0 HA CYS A 9 6.042 -6.008 -6.852 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.624 -3.672 -7.222 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.672 -4.180 -5.912 1.00 0.00 H new ATOM 141 N GLY A 10 6.338 -5.063 -9.335 1.00 0.00 N ATOM 142 CA GLY A 10 6.164 -5.117 -10.816 1.00 0.00 C ATOM 143 C GLY A 10 5.060 -6.107 -11.141 1.00 0.00 C ATOM 144 O GLY A 10 5.322 -7.177 -11.645 1.00 0.00 O ATOM 0 H GLY A 10 5.926 -4.246 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.912 -4.130 -11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.095 -5.419 -11.295 1.00 0.00 H new ATOM 148 N GLY A 11 3.841 -5.748 -10.842 1.00 0.00 N ATOM 149 CA GLY A 11 2.708 -6.688 -11.139 1.00 0.00 C ATOM 150 C GLY A 11 2.631 -7.761 -10.062 1.00 0.00 C ATOM 151 O GLY A 11 1.601 -8.379 -9.913 1.00 0.00 O ATOM 0 H GLY A 11 3.577 -4.861 -10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.769 -6.137 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.853 -7.150 -12.116 1.00 0.00 H new ATOM 155 N GLU A 12 3.707 -7.967 -9.353 1.00 0.00 N ATOM 156 CA GLU A 12 3.741 -8.985 -8.263 1.00 0.00 C ATOM 157 C GLU A 12 3.252 -8.254 -6.998 1.00 0.00 C ATOM 158 O GLU A 12 2.464 -8.773 -6.233 1.00 0.00 O ATOM 159 CB GLU A 12 5.195 -9.475 -8.143 1.00 0.00 C ATOM 160 CG GLU A 12 5.310 -10.645 -7.154 1.00 0.00 C ATOM 161 CD GLU A 12 6.778 -11.088 -7.114 1.00 0.00 C ATOM 162 OE1 GLU A 12 7.530 -10.399 -6.437 1.00 0.00 O ATOM 163 OE2 GLU A 12 7.049 -12.085 -7.765 1.00 0.00 O ATOM 0 H GLU A 12 4.583 -7.462 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 12 3.112 -9.858 -8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.558 -9.787 -9.122 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.832 -8.654 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.977 -10.340 -6.162 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.671 -11.471 -7.465 1.00 0.00 H new ATOM 170 N LEU A 13 3.737 -7.044 -6.836 1.00 0.00 N ATOM 171 CA LEU A 13 3.366 -6.184 -5.657 1.00 0.00 C ATOM 172 C LEU A 13 1.819 -6.089 -5.456 1.00 0.00 C ATOM 173 O LEU A 13 1.308 -5.696 -4.418 1.00 0.00 O ATOM 174 CB LEU A 13 4.063 -4.756 -5.893 1.00 0.00 C ATOM 175 CG LEU A 13 3.450 -3.665 -5.019 1.00 0.00 C ATOM 176 CD1 LEU A 13 3.649 -4.010 -3.537 1.00 0.00 C ATOM 177 CD2 LEU A 13 4.085 -2.318 -5.326 1.00 0.00 C ATOM 0 H LEU A 13 4.390 -6.604 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 13 3.725 -6.624 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.129 -4.834 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.967 -4.476 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 13 2.383 -3.605 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.209 -3.227 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.165 -4.961 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.715 -4.087 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.636 -1.552 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.156 -2.368 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.918 -2.068 -6.374 1.00 0.00 H new ATOM 189 N VAL A 14 1.102 -6.467 -6.483 1.00 0.00 N ATOM 190 CA VAL A 14 -0.387 -6.428 -6.415 1.00 0.00 C ATOM 191 C VAL A 14 -0.821 -7.519 -5.409 1.00 0.00 C ATOM 192 O VAL A 14 -1.735 -7.325 -4.630 1.00 0.00 O ATOM 193 CB VAL A 14 -0.971 -6.717 -7.849 1.00 0.00 C ATOM 194 CG1 VAL A 14 -0.365 -5.804 -8.933 1.00 0.00 C ATOM 195 CG2 VAL A 14 -0.794 -8.201 -8.254 1.00 0.00 C ATOM 0 H VAL A 14 1.486 -6.801 -7.367 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.756 -5.455 -6.090 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.036 -6.496 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.804 -6.047 -9.901 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.576 -4.762 -8.691 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.714 -5.956 -8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.210 -8.359 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.267 -8.453 -8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.314 -8.838 -7.538 1.00 0.00 H new ATOM 205 N ASP A 15 -0.141 -8.638 -5.459 1.00 0.00 N ATOM 206 CA ASP A 15 -0.479 -9.765 -4.536 1.00 0.00 C ATOM 207 C ASP A 15 -0.136 -9.375 -3.106 1.00 0.00 C ATOM 208 O ASP A 15 -0.878 -9.651 -2.188 1.00 0.00 O ATOM 209 CB ASP A 15 0.314 -11.006 -4.947 1.00 0.00 C ATOM 210 CG ASP A 15 -0.112 -12.142 -4.016 1.00 0.00 C ATOM 211 OD1 ASP A 15 -1.132 -12.733 -4.334 1.00 0.00 O ATOM 212 OD2 ASP A 15 0.609 -12.336 -3.052 1.00 0.00 O ATOM 0 H ASP A 15 0.633 -8.819 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.545 -9.983 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.113 -11.264 -5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.385 -10.823 -4.866 1.00 0.00 H new ATOM 217 N THR A 16 0.989 -8.733 -2.948 1.00 0.00 N ATOM 218 CA THR A 16 1.458 -8.281 -1.599 1.00 0.00 C ATOM 219 C THR A 16 0.234 -7.693 -0.914 1.00 0.00 C ATOM 220 O THR A 16 -0.199 -8.125 0.136 1.00 0.00 O ATOM 221 CB THR A 16 2.541 -7.242 -1.835 1.00 0.00 C ATOM 222 OG1 THR A 16 3.246 -7.839 -2.915 1.00 0.00 O ATOM 223 CG2 THR A 16 3.522 -7.170 -0.661 1.00 0.00 C ATOM 0 H THR A 16 1.620 -8.496 -3.713 1.00 0.00 H new ATOM 0 HA THR A 16 1.875 -9.072 -0.976 1.00 0.00 H new ATOM 0 HB THR A 16 2.139 -6.240 -1.988 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.428 -8.779 -2.707 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.282 -6.416 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.983 -6.903 0.248 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.001 -8.140 -0.527 1.00 0.00 H new ATOM 231 N LEU A 17 -0.297 -6.704 -1.574 1.00 0.00 N ATOM 232 CA LEU A 17 -1.499 -5.980 -1.122 1.00 0.00 C ATOM 233 C LEU A 17 -2.569 -7.003 -0.796 1.00 0.00 C ATOM 234 O LEU A 17 -3.196 -6.892 0.229 1.00 0.00 O ATOM 235 CB LEU A 17 -1.822 -5.118 -2.277 1.00 0.00 C ATOM 236 CG LEU A 17 -2.221 -3.692 -2.015 1.00 0.00 C ATOM 237 CD1 LEU A 17 -1.389 -3.056 -0.967 1.00 0.00 C ATOM 238 CD2 LEU A 17 -1.800 -2.950 -3.276 1.00 0.00 C ATOM 0 H LEU A 17 0.081 -6.357 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.386 -5.379 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.953 -5.104 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.632 -5.593 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.274 -3.662 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.718 -2.028 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.492 -3.611 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.345 -3.061 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.052 -1.894 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.724 -3.055 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.322 -3.369 -4.136 1.00 0.00 H new ATOM 250 N GLN A 18 -2.765 -7.977 -1.643 1.00 0.00 N ATOM 251 CA GLN A 18 -3.819 -8.985 -1.323 1.00 0.00 C ATOM 252 C GLN A 18 -3.602 -9.454 0.118 1.00 0.00 C ATOM 253 O GLN A 18 -4.571 -9.633 0.826 1.00 0.00 O ATOM 254 CB GLN A 18 -3.722 -10.196 -2.332 1.00 0.00 C ATOM 255 CG GLN A 18 -4.812 -11.249 -2.020 1.00 0.00 C ATOM 256 CD GLN A 18 -4.810 -12.422 -3.014 1.00 0.00 C ATOM 257 OE1 GLN A 18 -5.833 -13.034 -3.238 1.00 0.00 O ATOM 258 NE2 GLN A 18 -3.733 -12.793 -3.639 1.00 0.00 N ATOM 0 H GLN A 18 -2.259 -8.118 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.814 -8.549 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.838 -9.836 -3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.735 -10.654 -2.266 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.661 -11.633 -1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.790 -10.768 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.854 -12.302 -3.476 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.767 -13.575 -4.293 1.00 0.00 H new ATOM 267 N PHE A 19 -2.371 -9.622 0.532 1.00 0.00 N ATOM 268 CA PHE A 19 -2.200 -10.078 1.945 1.00 0.00 C ATOM 269 C PHE A 19 -2.251 -8.870 2.900 1.00 0.00 C ATOM 270 O PHE A 19 -2.824 -9.019 3.964 1.00 0.00 O ATOM 271 CB PHE A 19 -0.835 -10.861 2.113 1.00 0.00 C ATOM 272 CG PHE A 19 0.350 -9.999 2.599 1.00 0.00 C ATOM 273 CD1 PHE A 19 0.366 -9.486 3.887 1.00 0.00 C ATOM 274 CD2 PHE A 19 1.406 -9.724 1.763 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.414 -8.715 4.333 1.00 0.00 C ATOM 276 CE2 PHE A 19 2.456 -8.953 2.206 1.00 0.00 C ATOM 277 CZ PHE A 19 2.468 -8.450 3.480 1.00 0.00 C ATOM 0 H PHE A 19 -1.520 -9.473 -0.011 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.016 -10.756 2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.985 -11.678 2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.570 -11.311 1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.459 -9.696 4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.411 -10.114 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.413 -8.321 5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.281 -8.742 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.299 -7.848 3.817 1.00 0.00 H new ATOM 287 N VAL A 20 -1.676 -7.726 2.567 1.00 0.00 N ATOM 288 CA VAL A 20 -1.767 -6.609 3.528 1.00 0.00 C ATOM 289 C VAL A 20 -3.196 -6.064 3.569 1.00 0.00 C ATOM 290 O VAL A 20 -3.799 -5.954 4.616 1.00 0.00 O ATOM 291 CB VAL A 20 -0.780 -5.501 3.106 1.00 0.00 C ATOM 292 CG1 VAL A 20 -0.300 -4.945 4.368 1.00 0.00 C ATOM 293 CG2 VAL A 20 0.421 -6.033 2.302 1.00 0.00 C ATOM 0 H VAL A 20 -1.170 -7.538 1.701 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.508 -6.962 4.526 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.275 -4.780 2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.412 -4.145 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.142 -4.547 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.189 -5.728 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.077 -5.204 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.973 -6.753 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.064 -6.519 1.394 1.00 0.00 H new ATOM 303 N CYS A 21 -3.680 -5.720 2.408 1.00 0.00 N ATOM 304 CA CYS A 21 -5.061 -5.185 2.295 1.00 0.00 C ATOM 305 C CYS A 21 -6.104 -6.244 2.733 1.00 0.00 C ATOM 306 O CYS A 21 -6.994 -5.988 3.528 1.00 0.00 O ATOM 307 CB CYS A 21 -5.282 -4.757 0.873 1.00 0.00 C ATOM 308 SG CYS A 21 -7.023 -4.499 0.460 1.00 0.00 S ATOM 0 H CYS A 21 -3.172 -5.788 1.526 1.00 0.00 H new ATOM 0 HA CYS A 21 -5.185 -4.329 2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.733 -3.833 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.867 -5.512 0.206 1.00 0.00 H new ATOM 313 N GLY A 22 -5.974 -7.427 2.190 1.00 0.00 N ATOM 314 CA GLY A 22 -6.923 -8.527 2.555 1.00 0.00 C ATOM 315 C GLY A 22 -8.246 -8.621 1.786 1.00 0.00 C ATOM 316 O GLY A 22 -8.413 -8.111 0.690 1.00 0.00 O ATOM 0 H GLY A 22 -5.255 -7.681 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.398 -9.475 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.159 -8.427 3.614 1.00 0.00 H new ATOM 320 N ASP A 23 -9.131 -9.316 2.454 1.00 0.00 N ATOM 321 CA ASP A 23 -10.534 -9.629 2.035 1.00 0.00 C ATOM 322 C ASP A 23 -11.387 -8.391 1.701 1.00 0.00 C ATOM 323 O ASP A 23 -12.414 -8.155 2.315 1.00 0.00 O ATOM 324 CB ASP A 23 -11.215 -10.440 3.190 1.00 0.00 C ATOM 325 CG ASP A 23 -10.371 -11.624 3.693 1.00 0.00 C ATOM 326 OD1 ASP A 23 -9.283 -11.338 4.168 1.00 0.00 O ATOM 327 OD2 ASP A 23 -10.858 -12.736 3.577 1.00 0.00 O ATOM 0 H ASP A 23 -8.909 -9.717 3.365 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.474 -10.202 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.417 -9.768 4.024 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.178 -10.813 2.842 1.00 0.00 H new ATOM 332 N ARG A 24 -10.964 -7.614 0.742 1.00 0.00 N ATOM 333 CA ARG A 24 -11.727 -6.395 0.347 1.00 0.00 C ATOM 334 C ARG A 24 -11.078 -5.749 -0.867 1.00 0.00 C ATOM 335 O ARG A 24 -11.687 -4.920 -1.517 1.00 0.00 O ATOM 336 CB ARG A 24 -11.770 -5.414 1.547 1.00 0.00 C ATOM 337 CG ARG A 24 -10.371 -5.057 2.078 1.00 0.00 C ATOM 338 CD ARG A 24 -10.323 -5.070 3.636 1.00 0.00 C ATOM 339 NE ARG A 24 -11.310 -4.097 4.237 1.00 0.00 N ATOM 340 CZ ARG A 24 -12.465 -4.547 4.641 1.00 0.00 C ATOM 341 NH1 ARG A 24 -12.558 -5.059 5.835 1.00 0.00 N ATOM 342 NH2 ARG A 24 -13.450 -4.459 3.804 1.00 0.00 N ATOM 0 H ARG A 24 -10.110 -7.774 0.208 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.748 -6.664 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.283 -4.501 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.356 -5.858 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.642 -5.766 1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.085 -4.070 1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.538 -6.076 3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.316 -4.819 3.971 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.077 -3.108 4.325 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.735 -5.103 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.453 -5.416 6.168 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.300 -4.053 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.376 -4.796 4.069 1.00 0.00 H new ATOM 356 N GLY A 25 -9.858 -6.130 -1.144 1.00 0.00 N ATOM 357 CA GLY A 25 -9.174 -5.545 -2.325 1.00 0.00 C ATOM 358 C GLY A 25 -8.623 -4.162 -1.992 1.00 0.00 C ATOM 359 O GLY A 25 -9.041 -3.562 -1.028 1.00 0.00 O ATOM 0 H GLY A 25 -9.316 -6.810 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.363 -6.199 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.872 -5.474 -3.159 1.00 0.00 H new ATOM 363 N PHE A 26 -7.711 -3.695 -2.795 1.00 0.00 N ATOM 364 CA PHE A 26 -7.040 -2.354 -2.622 1.00 0.00 C ATOM 365 C PHE A 26 -7.359 -1.403 -3.758 1.00 0.00 C ATOM 366 O PHE A 26 -8.096 -1.746 -4.662 1.00 0.00 O ATOM 367 CB PHE A 26 -5.507 -2.532 -2.548 1.00 0.00 C ATOM 368 CG PHE A 26 -5.150 -3.815 -3.229 1.00 0.00 C ATOM 369 CD1 PHE A 26 -5.408 -4.965 -2.546 1.00 0.00 C ATOM 370 CD2 PHE A 26 -4.602 -3.855 -4.474 1.00 0.00 C ATOM 371 CE1 PHE A 26 -5.132 -6.167 -3.082 1.00 0.00 C ATOM 372 CE2 PHE A 26 -4.315 -5.065 -5.032 1.00 0.00 C ATOM 373 CZ PHE A 26 -4.574 -6.241 -4.343 1.00 0.00 C ATOM 0 H PHE A 26 -7.379 -4.209 -3.611 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.423 -1.927 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.004 -1.694 -3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.176 -2.548 -1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.841 -4.911 -1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.397 -2.941 -5.012 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.346 -7.070 -2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.882 -5.109 -6.020 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.343 -7.199 -4.786 1.00 0.00 H new ATOM 383 N TYR A 27 -6.783 -0.231 -3.656 1.00 0.00 N ATOM 384 CA TYR A 27 -7.027 0.778 -4.724 1.00 0.00 C ATOM 385 C TYR A 27 -5.904 0.895 -5.757 1.00 0.00 C ATOM 386 O TYR A 27 -6.192 1.096 -6.919 1.00 0.00 O ATOM 387 CB TYR A 27 -7.281 2.179 -4.068 1.00 0.00 C ATOM 388 CG TYR A 27 -8.565 2.241 -3.193 1.00 0.00 C ATOM 389 CD1 TYR A 27 -9.769 1.729 -3.641 1.00 0.00 C ATOM 390 CD2 TYR A 27 -8.540 2.831 -1.937 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.908 1.806 -2.860 1.00 0.00 C ATOM 392 CE2 TYR A 27 -9.683 2.904 -1.159 1.00 0.00 C ATOM 393 CZ TYR A 27 -10.877 2.391 -1.616 1.00 0.00 C ATOM 394 OH TYR A 27 -12.030 2.438 -0.857 1.00 0.00 O ATOM 0 H TYR A 27 -6.169 0.064 -2.897 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.902 0.430 -5.272 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.421 2.443 -3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.352 2.930 -4.855 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.821 1.263 -4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.614 3.240 -1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.837 1.400 -3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.638 3.368 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.803 2.327 0.090 1.00 0.00 H new ATOM 404 N PHE A 28 -4.667 0.789 -5.345 1.00 0.00 N ATOM 405 CA PHE A 28 -3.522 0.886 -6.319 1.00 0.00 C ATOM 406 C PHE A 28 -3.394 2.324 -6.839 1.00 0.00 C ATOM 407 O PHE A 28 -2.721 2.598 -7.814 1.00 0.00 O ATOM 408 CB PHE A 28 -3.769 -0.099 -7.501 1.00 0.00 C ATOM 409 CG PHE A 28 -2.445 -0.527 -8.143 1.00 0.00 C ATOM 410 CD1 PHE A 28 -1.858 0.202 -9.159 1.00 0.00 C ATOM 411 CD2 PHE A 28 -1.820 -1.673 -7.696 1.00 0.00 C ATOM 412 CE1 PHE A 28 -0.668 -0.203 -9.719 1.00 0.00 C ATOM 413 CE2 PHE A 28 -0.628 -2.082 -8.253 1.00 0.00 C ATOM 414 CZ PHE A 28 -0.051 -1.347 -9.267 1.00 0.00 C ATOM 0 H PHE A 28 -4.393 0.639 -4.374 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.592 0.618 -5.817 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.304 -0.978 -7.141 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.403 0.376 -8.249 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -2.339 1.100 -9.518 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.268 -2.254 -6.904 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.219 0.376 -10.512 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.145 -2.979 -7.895 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.882 -1.668 -9.705 1.00 0.00 H new ATOM 424 N SER A 29 -4.069 3.214 -6.159 1.00 0.00 N ATOM 425 CA SER A 29 -4.036 4.666 -6.538 1.00 0.00 C ATOM 426 C SER A 29 -4.669 5.582 -5.493 1.00 0.00 C ATOM 427 O SER A 29 -5.811 5.984 -5.632 1.00 0.00 O ATOM 428 CB SER A 29 -4.770 4.898 -7.897 1.00 0.00 C ATOM 429 OG SER A 29 -3.752 4.790 -8.882 1.00 0.00 O ATOM 0 H SER A 29 -4.649 2.998 -5.348 1.00 0.00 H new ATOM 0 HA SER A 29 -2.979 4.921 -6.616 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.554 4.157 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.247 5.878 -7.927 1.00 0.00 H new ATOM 0 HG SER A 29 -3.237 3.970 -8.732 1.00 0.00 H new ATOM 435 N ARG A 30 -3.900 5.865 -4.465 1.00 0.00 N ATOM 436 CA ARG A 30 -4.420 6.766 -3.390 1.00 0.00 C ATOM 437 C ARG A 30 -4.645 8.120 -4.106 1.00 0.00 C ATOM 438 O ARG A 30 -3.831 8.533 -4.907 1.00 0.00 O ATOM 439 CB ARG A 30 -3.369 6.938 -2.223 1.00 0.00 C ATOM 440 CG ARG A 30 -3.338 5.656 -1.320 1.00 0.00 C ATOM 441 CD ARG A 30 -2.214 5.725 -0.218 1.00 0.00 C ATOM 442 NE ARG A 30 -2.595 6.688 0.872 1.00 0.00 N ATOM 443 CZ ARG A 30 -1.868 6.795 1.953 1.00 0.00 C ATOM 444 NH1 ARG A 30 -1.944 5.867 2.862 1.00 0.00 N ATOM 445 NH2 ARG A 30 -1.099 7.842 2.052 1.00 0.00 N ATOM 0 H ARG A 30 -2.951 5.517 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.324 6.369 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.379 7.120 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.625 7.809 -1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.308 5.530 -0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.176 4.778 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.052 4.734 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.272 6.035 -0.671 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.430 7.264 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.565 5.069 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.383 5.937 3.711 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.082 8.535 1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.513 7.968 2.878 1.00 0.00 H new ATOM 459 N PRO A 31 -5.744 8.772 -3.822 1.00 0.00 N ATOM 460 CA PRO A 31 -6.124 10.022 -4.517 1.00 0.00 C ATOM 461 C PRO A 31 -5.332 11.199 -3.932 1.00 0.00 C ATOM 462 O PRO A 31 -4.128 11.153 -3.759 1.00 0.00 O ATOM 463 CB PRO A 31 -7.654 10.038 -4.303 1.00 0.00 C ATOM 464 CG PRO A 31 -7.755 9.553 -2.834 1.00 0.00 C ATOM 465 CD PRO A 31 -6.755 8.371 -2.797 1.00 0.00 C ATOM 0 HA PRO A 31 -5.891 10.094 -5.579 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.079 11.033 -4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.173 9.373 -4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.481 10.338 -2.129 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.767 9.236 -2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.307 8.249 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.235 7.425 -3.048 1.00 0.00 H new ATOM 473 N ALA A 32 -6.067 12.232 -3.656 1.00 0.00 N ATOM 474 CA ALA A 32 -5.468 13.458 -3.079 1.00 0.00 C ATOM 475 C ALA A 32 -5.377 13.266 -1.582 1.00 0.00 C ATOM 476 O ALA A 32 -5.714 12.236 -1.024 1.00 0.00 O ATOM 477 CB ALA A 32 -6.366 14.667 -3.443 1.00 0.00 C ATOM 0 H ALA A 32 -7.074 12.279 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.470 13.646 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.937 15.578 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.429 14.760 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.365 14.515 -3.034 1.00 0.00 H new ATOM 483 N SER A 33 -4.892 14.290 -0.967 1.00 0.00 N ATOM 484 CA SER A 33 -4.739 14.272 0.503 1.00 0.00 C ATOM 485 C SER A 33 -5.132 15.667 0.939 1.00 0.00 C ATOM 486 O SER A 33 -6.002 16.259 0.339 1.00 0.00 O ATOM 487 CB SER A 33 -3.271 13.911 0.819 1.00 0.00 C ATOM 488 OG SER A 33 -3.091 12.638 0.206 1.00 0.00 O ATOM 0 H SER A 33 -4.590 15.151 -1.423 1.00 0.00 H new ATOM 0 HA SER A 33 -5.353 13.540 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.581 14.651 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.093 13.866 1.893 1.00 0.00 H new ATOM 0 HG SER A 33 -2.173 12.329 0.357 1.00 0.00 H new ATOM 494 N ARG A 34 -4.486 16.178 1.939 1.00 0.00 N ATOM 495 CA ARG A 34 -4.829 17.546 2.433 1.00 0.00 C ATOM 496 C ARG A 34 -3.907 18.572 1.777 1.00 0.00 C ATOM 497 O ARG A 34 -3.478 19.537 2.375 1.00 0.00 O ATOM 498 CB ARG A 34 -4.701 17.464 3.974 1.00 0.00 C ATOM 499 CG ARG A 34 -5.588 16.249 4.412 1.00 0.00 C ATOM 500 CD ARG A 34 -5.494 15.927 5.900 1.00 0.00 C ATOM 501 NE ARG A 34 -6.095 14.560 6.042 1.00 0.00 N ATOM 502 CZ ARG A 34 -5.442 13.553 6.523 1.00 0.00 C ATOM 503 NH1 ARG A 34 -4.243 13.337 6.070 1.00 0.00 N ATOM 504 NH2 ARG A 34 -6.036 12.836 7.427 1.00 0.00 N ATOM 0 H ARG A 34 -3.731 15.712 2.443 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.836 17.872 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.663 17.318 4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.042 18.386 4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.627 16.459 4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.293 15.370 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.459 15.940 6.242 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.036 16.660 6.497 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.061 14.419 5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.848 13.952 5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.697 12.552 6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.980 13.077 7.730 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.559 12.032 7.835 1.00 0.00 H new ATOM 518 N VAL A 35 -3.635 18.290 0.531 1.00 0.00 N ATOM 519 CA VAL A 35 -2.784 19.088 -0.342 1.00 0.00 C ATOM 520 C VAL A 35 -3.743 19.654 -1.416 1.00 0.00 C ATOM 521 O VAL A 35 -4.859 20.037 -1.120 1.00 0.00 O ATOM 522 CB VAL A 35 -1.744 18.074 -0.847 1.00 0.00 C ATOM 523 CG1 VAL A 35 -0.587 18.800 -1.375 1.00 0.00 C ATOM 524 CG2 VAL A 35 -1.200 17.201 0.325 1.00 0.00 C ATOM 0 H VAL A 35 -4.012 17.464 0.067 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.251 19.937 0.086 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.228 17.451 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.156 18.088 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.904 19.441 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.150 19.412 -0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.466 16.492 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.729 17.843 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.024 16.656 0.786 1.00 0.00 H new ATOM 534 N SER A 36 -3.277 19.673 -2.635 1.00 0.00 N ATOM 535 CA SER A 36 -4.091 20.196 -3.776 1.00 0.00 C ATOM 536 C SER A 36 -3.683 19.499 -5.078 1.00 0.00 C ATOM 537 O SER A 36 -3.270 20.093 -6.059 1.00 0.00 O ATOM 538 CB SER A 36 -3.853 21.641 -3.960 1.00 0.00 C ATOM 539 OG SER A 36 -3.869 22.223 -2.663 1.00 0.00 O ATOM 0 H SER A 36 -2.348 19.342 -2.896 1.00 0.00 H new ATOM 0 HA SER A 36 -5.140 20.008 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.896 21.817 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.623 22.083 -4.593 1.00 0.00 H new ATOM 0 HG SER A 36 -3.713 23.188 -2.735 1.00 0.00 H new ATOM 545 N ARG A 37 -3.807 18.218 -4.992 1.00 0.00 N ATOM 546 CA ARG A 37 -3.501 17.236 -6.074 1.00 0.00 C ATOM 547 C ARG A 37 -3.554 15.793 -5.553 1.00 0.00 C ATOM 548 O ARG A 37 -3.677 15.586 -4.359 1.00 0.00 O ATOM 549 CB ARG A 37 -2.123 17.521 -6.592 1.00 0.00 C ATOM 550 CG ARG A 37 -1.086 17.456 -5.432 1.00 0.00 C ATOM 551 CD ARG A 37 0.116 18.321 -5.784 1.00 0.00 C ATOM 552 NE ARG A 37 -0.397 19.717 -5.986 1.00 0.00 N ATOM 553 CZ ARG A 37 0.453 20.696 -6.011 1.00 0.00 C ATOM 554 NH1 ARG A 37 1.162 20.846 -7.088 1.00 0.00 N ATOM 555 NH2 ARG A 37 0.548 21.462 -4.967 1.00 0.00 N ATOM 0 H ARG A 37 -4.138 17.766 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.247 17.337 -6.863 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.861 16.798 -7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.098 18.507 -7.056 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.539 17.803 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.771 16.425 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.858 18.294 -4.986 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.605 17.955 -6.687 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.395 19.892 -6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.039 20.206 -7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.842 21.604 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.039 21.287 -4.151 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.209 22.239 -4.963 1.00 0.00 H new ATOM 569 N ARG A 38 -3.460 14.851 -6.461 1.00 0.00 N ATOM 570 CA ARG A 38 -3.491 13.415 -6.058 1.00 0.00 C ATOM 571 C ARG A 38 -2.087 13.129 -5.517 1.00 0.00 C ATOM 572 O ARG A 38 -1.229 13.989 -5.576 1.00 0.00 O ATOM 573 CB ARG A 38 -3.740 12.523 -7.261 1.00 0.00 C ATOM 574 CG ARG A 38 -4.951 13.055 -8.074 1.00 0.00 C ATOM 575 CD ARG A 38 -4.909 12.403 -9.454 1.00 0.00 C ATOM 576 NE ARG A 38 -6.122 12.810 -10.237 1.00 0.00 N ATOM 577 CZ ARG A 38 -6.021 12.966 -11.521 1.00 0.00 C ATOM 578 NH1 ARG A 38 -5.939 11.887 -12.235 1.00 0.00 N ATOM 579 NH2 ARG A 38 -6.004 14.177 -11.996 1.00 0.00 N ATOM 0 H ARG A 38 -3.363 15.017 -7.463 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.282 13.222 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.852 12.494 -7.892 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.932 11.501 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.886 12.816 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.904 14.140 -8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.004 12.704 -9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.875 11.318 -9.354 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.014 12.962 -9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.956 10.973 -11.782 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.858 11.952 -13.250 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.069 14.974 -11.363 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.925 14.329 -13.001 1.00 0.00 H new ATOM 593 N SER A 39 -1.878 11.949 -5.024 1.00 0.00 N ATOM 594 CA SER A 39 -0.536 11.607 -4.480 1.00 0.00 C ATOM 595 C SER A 39 -0.307 10.164 -4.929 1.00 0.00 C ATOM 596 O SER A 39 -1.151 9.334 -4.664 1.00 0.00 O ATOM 597 CB SER A 39 -0.589 11.729 -2.939 1.00 0.00 C ATOM 598 OG SER A 39 0.755 11.967 -2.534 1.00 0.00 O ATOM 0 H SER A 39 -2.574 11.205 -4.972 1.00 0.00 H new ATOM 0 HA SER A 39 0.268 12.257 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.243 12.545 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.981 10.819 -2.486 1.00 0.00 H new ATOM 0 HG SER A 39 0.792 12.057 -1.559 1.00 0.00 H new ATOM 604 N ARG A 40 0.789 9.891 -5.591 1.00 0.00 N ATOM 605 CA ARG A 40 1.066 8.511 -6.047 1.00 0.00 C ATOM 606 C ARG A 40 1.161 7.622 -4.813 1.00 0.00 C ATOM 607 O ARG A 40 1.139 8.123 -3.704 1.00 0.00 O ATOM 608 CB ARG A 40 2.371 8.599 -6.857 1.00 0.00 C ATOM 609 CG ARG A 40 2.160 7.885 -8.180 1.00 0.00 C ATOM 610 CD ARG A 40 3.107 8.458 -9.249 1.00 0.00 C ATOM 611 NE ARG A 40 2.617 9.821 -9.645 1.00 0.00 N ATOM 612 CZ ARG A 40 3.450 10.652 -10.205 1.00 0.00 C ATOM 613 NH1 ARG A 40 3.890 10.369 -11.394 1.00 0.00 N ATOM 614 NH2 ARG A 40 3.802 11.718 -9.549 1.00 0.00 N ATOM 0 H ARG A 40 1.505 10.576 -5.833 1.00 0.00 H new ATOM 0 HA ARG A 40 0.292 8.076 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.643 9.641 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.192 8.141 -6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.341 6.817 -8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.125 7.998 -8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.123 8.520 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.138 7.800 -10.118 1.00 0.00 H new ATOM 0 HE ARG A 40 1.648 10.092 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.582 9.517 -11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.543 10.999 -11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.427 11.890 -8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.453 12.383 -9.967 1.00 0.00 H new ATOM 628 N GLY A 41 1.267 6.340 -5.029 1.00 0.00 N ATOM 629 CA GLY A 41 1.348 5.440 -3.844 1.00 0.00 C ATOM 630 C GLY A 41 1.998 4.097 -4.110 1.00 0.00 C ATOM 631 O GLY A 41 3.201 4.013 -3.947 1.00 0.00 O ATOM 0 H GLY A 41 1.300 5.887 -5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.905 5.948 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.341 5.271 -3.464 1.00 0.00 H new ATOM 635 N ILE A 42 1.225 3.099 -4.498 1.00 0.00 N ATOM 636 CA ILE A 42 1.778 1.758 -4.781 1.00 0.00 C ATOM 637 C ILE A 42 2.953 1.908 -5.750 1.00 0.00 C ATOM 638 O ILE A 42 3.193 2.977 -6.276 1.00 0.00 O ATOM 639 CB ILE A 42 0.577 0.949 -5.314 1.00 0.00 C ATOM 640 CG1 ILE A 42 -0.411 0.657 -4.151 1.00 0.00 C ATOM 641 CG2 ILE A 42 1.008 -0.345 -5.927 1.00 0.00 C ATOM 642 CD1 ILE A 42 0.256 -0.191 -3.029 1.00 0.00 C ATOM 0 H ILE A 42 0.216 3.176 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 42 2.198 1.233 -3.923 1.00 0.00 H new ATOM 0 HB ILE A 42 0.091 1.546 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.769 1.598 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.282 0.128 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.133 -0.885 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.683 -0.146 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.522 -0.949 -5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.466 -0.374 -2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.590 -1.143 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.112 0.349 -2.624 1.00 0.00 H new ATOM 654 N VAL A 43 3.628 0.806 -5.948 1.00 0.00 N ATOM 655 CA VAL A 43 4.826 0.650 -6.818 1.00 0.00 C ATOM 656 C VAL A 43 5.908 1.659 -6.456 1.00 0.00 C ATOM 657 O VAL A 43 6.967 1.222 -6.056 1.00 0.00 O ATOM 658 CB VAL A 43 4.462 0.776 -8.338 1.00 0.00 C ATOM 659 CG1 VAL A 43 3.903 -0.571 -8.829 1.00 0.00 C ATOM 660 CG2 VAL A 43 3.454 1.864 -8.669 1.00 0.00 C ATOM 0 H VAL A 43 3.365 -0.069 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 43 5.213 -0.354 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 43 5.387 1.055 -8.842 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.646 -0.495 -9.886 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.655 -1.348 -8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.011 -0.825 -8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.267 1.873 -9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.521 1.669 -8.140 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.850 2.832 -8.362 1.00 0.00 H new ATOM 670 N GLU A 44 5.716 2.942 -6.563 1.00 0.00 N ATOM 671 CA GLU A 44 6.847 3.826 -6.168 1.00 0.00 C ATOM 672 C GLU A 44 7.202 3.485 -4.711 1.00 0.00 C ATOM 673 O GLU A 44 8.352 3.540 -4.317 1.00 0.00 O ATOM 674 CB GLU A 44 6.405 5.285 -6.330 1.00 0.00 C ATOM 675 CG GLU A 44 6.655 5.633 -7.823 1.00 0.00 C ATOM 676 CD GLU A 44 6.035 6.983 -8.249 1.00 0.00 C ATOM 677 OE1 GLU A 44 5.658 7.734 -7.360 1.00 0.00 O ATOM 678 OE2 GLU A 44 5.963 7.204 -9.451 1.00 0.00 O ATOM 0 H GLU A 44 4.867 3.402 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 44 7.730 3.679 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.354 5.407 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.975 5.943 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.729 5.660 -8.007 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.244 4.840 -8.447 1.00 0.00 H new ATOM 685 N GLU A 45 6.219 3.127 -3.930 1.00 0.00 N ATOM 686 CA GLU A 45 6.577 2.798 -2.536 1.00 0.00 C ATOM 687 C GLU A 45 7.214 1.397 -2.428 1.00 0.00 C ATOM 688 O GLU A 45 8.316 1.299 -1.952 1.00 0.00 O ATOM 689 CB GLU A 45 5.311 2.870 -1.653 1.00 0.00 C ATOM 690 CG GLU A 45 4.523 1.578 -1.811 1.00 0.00 C ATOM 691 CD GLU A 45 3.161 1.710 -1.189 1.00 0.00 C ATOM 692 OE1 GLU A 45 2.422 2.410 -1.838 1.00 0.00 O ATOM 693 OE2 GLU A 45 2.934 1.136 -0.141 1.00 0.00 O ATOM 0 H GLU A 45 5.234 3.052 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 45 7.314 3.524 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.588 3.017 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.698 3.723 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.424 1.333 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.064 0.756 -1.343 1.00 0.00 H new ATOM 700 N CYS A 46 6.592 0.325 -2.857 1.00 0.00 N ATOM 701 CA CYS A 46 7.271 -1.010 -2.685 1.00 0.00 C ATOM 702 C CYS A 46 8.109 -1.425 -3.856 1.00 0.00 C ATOM 703 O CYS A 46 9.073 -2.148 -3.703 1.00 0.00 O ATOM 704 CB CYS A 46 6.206 -2.068 -2.406 1.00 0.00 C ATOM 705 SG CYS A 46 6.763 -3.685 -1.816 1.00 0.00 S ATOM 0 H CYS A 46 5.676 0.307 -3.304 1.00 0.00 H new ATOM 0 HA CYS A 46 7.962 -0.911 -1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.514 -1.662 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.638 -2.223 -3.324 1.00 0.00 H new ATOM 710 N CYS A 47 7.718 -0.960 -5.008 1.00 0.00 N ATOM 711 CA CYS A 47 8.511 -1.341 -6.194 1.00 0.00 C ATOM 712 C CYS A 47 9.745 -0.458 -6.096 1.00 0.00 C ATOM 713 O CYS A 47 10.830 -0.971 -6.283 1.00 0.00 O ATOM 714 CB CYS A 47 7.740 -1.074 -7.511 1.00 0.00 C ATOM 715 SG CYS A 47 8.221 -2.129 -8.900 1.00 0.00 S ATOM 0 H CYS A 47 6.913 -0.355 -5.173 1.00 0.00 H new ATOM 0 HA CYS A 47 8.746 -2.405 -6.212 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.674 -1.206 -7.325 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.887 -0.032 -7.796 1.00 0.00 H new ATOM 720 N PHE A 48 9.619 0.828 -5.823 1.00 0.00 N ATOM 721 CA PHE A 48 10.854 1.598 -5.733 1.00 0.00 C ATOM 722 C PHE A 48 11.369 1.518 -4.271 1.00 0.00 C ATOM 723 O PHE A 48 12.568 1.388 -4.125 1.00 0.00 O ATOM 724 CB PHE A 48 10.472 2.974 -6.206 1.00 0.00 C ATOM 725 CG PHE A 48 10.567 3.137 -7.733 1.00 0.00 C ATOM 726 CD1 PHE A 48 9.947 2.220 -8.563 1.00 0.00 C ATOM 727 CD2 PHE A 48 11.247 4.196 -8.300 1.00 0.00 C ATOM 728 CE1 PHE A 48 10.002 2.355 -9.933 1.00 0.00 C ATOM 729 CE2 PHE A 48 11.303 4.334 -9.673 1.00 0.00 C ATOM 730 CZ PHE A 48 10.681 3.415 -10.492 1.00 0.00 C ATOM 0 H PHE A 48 8.747 1.335 -5.669 1.00 0.00 H new ATOM 0 HA PHE A 48 11.682 1.237 -6.342 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.453 3.191 -5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.120 3.709 -5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.413 1.387 -8.131 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.738 4.920 -7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.513 1.631 -10.568 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.837 5.166 -10.108 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.726 3.526 -11.565 1.00 0.00 H new ATOM 740 N ARG A 49 10.562 1.598 -3.222 1.00 0.00 N ATOM 741 CA ARG A 49 11.222 1.495 -1.852 1.00 0.00 C ATOM 742 C ARG A 49 11.242 0.029 -1.362 1.00 0.00 C ATOM 743 O ARG A 49 11.218 -0.911 -2.132 1.00 0.00 O ATOM 744 CB ARG A 49 10.472 2.379 -0.786 1.00 0.00 C ATOM 745 CG ARG A 49 10.135 3.706 -1.437 1.00 0.00 C ATOM 746 CD ARG A 49 9.213 4.547 -0.540 1.00 0.00 C ATOM 747 NE ARG A 49 8.871 5.781 -1.320 1.00 0.00 N ATOM 748 CZ ARG A 49 9.847 6.529 -1.744 1.00 0.00 C ATOM 749 NH1 ARG A 49 10.330 7.396 -0.910 1.00 0.00 N ATOM 750 NH2 ARG A 49 10.270 6.352 -2.963 1.00 0.00 N ATOM 0 H ARG A 49 9.550 1.721 -3.240 1.00 0.00 H new ATOM 0 HA ARG A 49 12.244 1.859 -1.960 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.565 1.879 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.099 2.533 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.053 4.258 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.651 3.530 -2.398 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.313 3.991 -0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.711 4.804 0.395 1.00 0.00 H new ATOM 0 HE ARG A 49 7.900 6.027 -1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.944 7.468 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.096 8.006 -1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.837 5.643 -3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.034 6.922 -3.326 1.00 0.00 H new ATOM 764 N SER A 50 11.290 -0.125 -0.067 1.00 0.00 N ATOM 765 CA SER A 50 11.314 -1.460 0.585 1.00 0.00 C ATOM 766 C SER A 50 10.114 -1.583 1.539 1.00 0.00 C ATOM 767 O SER A 50 10.236 -1.297 2.716 1.00 0.00 O ATOM 768 CB SER A 50 12.642 -1.573 1.330 1.00 0.00 C ATOM 769 OG SER A 50 12.683 -0.346 2.055 1.00 0.00 O ATOM 0 H SER A 50 11.314 0.655 0.590 1.00 0.00 H new ATOM 0 HA SER A 50 11.234 -2.268 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.666 -2.439 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.486 -1.671 0.647 1.00 0.00 H new ATOM 0 HG SER A 50 11.832 -0.214 2.523 1.00 0.00 H new ATOM 775 N CYS A 51 9.007 -1.989 0.972 1.00 0.00 N ATOM 776 CA CYS A 51 7.704 -2.196 1.685 1.00 0.00 C ATOM 777 C CYS A 51 7.704 -2.074 3.234 1.00 0.00 C ATOM 778 O CYS A 51 8.056 -3.002 3.932 1.00 0.00 O ATOM 779 CB CYS A 51 7.181 -3.605 1.262 1.00 0.00 C ATOM 780 SG CYS A 51 5.894 -3.818 0.005 1.00 0.00 S ATOM 0 H CYS A 51 8.951 -2.199 -0.024 1.00 0.00 H new ATOM 0 HA CYS A 51 7.061 -1.370 1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.048 -4.172 0.923 1.00 0.00 H new ATOM 0 HB3 CYS A 51 6.818 -4.090 2.168 1.00 0.00 H new ATOM 785 N ASP A 52 7.305 -0.940 3.757 1.00 0.00 N ATOM 786 CA ASP A 52 7.277 -0.778 5.264 1.00 0.00 C ATOM 787 C ASP A 52 6.057 -1.560 5.854 1.00 0.00 C ATOM 788 O ASP A 52 5.741 -1.509 7.027 1.00 0.00 O ATOM 789 CB ASP A 52 7.185 0.745 5.565 1.00 0.00 C ATOM 790 CG ASP A 52 7.258 1.052 7.081 1.00 0.00 C ATOM 791 OD1 ASP A 52 8.359 0.979 7.609 1.00 0.00 O ATOM 792 OD2 ASP A 52 6.198 1.347 7.615 1.00 0.00 O ATOM 0 H ASP A 52 7.000 -0.125 3.224 1.00 0.00 H new ATOM 0 HA ASP A 52 8.175 -1.186 5.728 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.995 1.264 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.251 1.137 5.162 1.00 0.00 H new ATOM 797 N LEU A 53 5.386 -2.283 4.987 1.00 0.00 N ATOM 798 CA LEU A 53 4.175 -3.123 5.313 1.00 0.00 C ATOM 799 C LEU A 53 2.988 -2.195 5.630 1.00 0.00 C ATOM 800 O LEU A 53 2.052 -2.138 4.855 1.00 0.00 O ATOM 801 CB LEU A 53 4.483 -4.042 6.534 1.00 0.00 C ATOM 802 CG LEU A 53 3.497 -5.251 6.675 1.00 0.00 C ATOM 803 CD1 LEU A 53 2.007 -4.882 6.588 1.00 0.00 C ATOM 804 CD2 LEU A 53 3.727 -6.276 5.566 1.00 0.00 C ATOM 0 H LEU A 53 5.645 -2.329 4.001 1.00 0.00 H new ATOM 0 HA LEU A 53 3.922 -3.752 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.500 -4.423 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.445 -3.445 7.445 1.00 0.00 H new ATOM 0 HG LEU A 53 3.713 -5.640 7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.402 -5.782 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.759 -4.180 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.802 -4.421 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.030 -7.105 5.687 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.566 -5.805 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.749 -6.650 5.623 1.00 0.00 H new ATOM 816 N ALA A 54 3.070 -1.505 6.743 1.00 0.00 N ATOM 817 CA ALA A 54 1.992 -0.541 7.197 1.00 0.00 C ATOM 818 C ALA A 54 1.375 0.189 5.984 1.00 0.00 C ATOM 819 O ALA A 54 0.179 0.362 5.822 1.00 0.00 O ATOM 820 CB ALA A 54 2.622 0.479 8.150 1.00 0.00 C ATOM 0 H ALA A 54 3.862 -1.566 7.382 1.00 0.00 H new ATOM 0 HA ALA A 54 1.200 -1.092 7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.860 1.181 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.044 -0.040 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.412 1.022 7.631 1.00 0.00 H new ATOM 826 N LEU A 55 2.290 0.605 5.154 1.00 0.00 N ATOM 827 CA LEU A 55 1.998 1.321 3.912 1.00 0.00 C ATOM 828 C LEU A 55 0.972 0.471 3.135 1.00 0.00 C ATOM 829 O LEU A 55 -0.152 0.861 2.906 1.00 0.00 O ATOM 830 CB LEU A 55 3.373 1.459 3.250 1.00 0.00 C ATOM 831 CG LEU A 55 3.882 2.907 3.306 1.00 0.00 C ATOM 832 CD1 LEU A 55 5.368 2.936 2.885 1.00 0.00 C ATOM 833 CD2 LEU A 55 3.093 3.757 2.292 1.00 0.00 C ATOM 0 H LEU A 55 3.287 0.460 5.312 1.00 0.00 H new ATOM 0 HA LEU A 55 1.549 2.310 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.086 0.802 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.312 1.133 2.212 1.00 0.00 H new ATOM 0 HG LEU A 55 3.758 3.296 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.737 3.961 2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.951 2.316 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.466 2.552 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.449 4.787 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.239 3.355 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.033 3.731 2.543 1.00 0.00 H new ATOM 845 N LEU A 56 1.362 -0.704 2.753 1.00 0.00 N ATOM 846 CA LEU A 56 0.446 -1.604 1.990 1.00 0.00 C ATOM 847 C LEU A 56 -0.820 -1.841 2.785 1.00 0.00 C ATOM 848 O LEU A 56 -1.852 -1.979 2.152 1.00 0.00 O ATOM 849 CB LEU A 56 1.172 -2.905 1.724 1.00 0.00 C ATOM 850 CG LEU A 56 2.477 -2.758 0.848 1.00 0.00 C ATOM 851 CD1 LEU A 56 2.175 -1.902 -0.393 1.00 0.00 C ATOM 852 CD2 LEU A 56 3.680 -2.125 1.607 1.00 0.00 C ATOM 0 H LEU A 56 2.288 -1.091 2.936 1.00 0.00 H new ATOM 0 HA LEU A 56 0.163 -1.148 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.439 -3.359 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.489 -3.592 1.224 1.00 0.00 H new ATOM 0 HG LEU A 56 2.769 -3.772 0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.078 -1.803 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.395 -2.381 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.837 -0.914 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.538 -2.058 0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.409 -1.127 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.937 -2.747 2.465 1.00 0.00 H new ATOM 864 N GLU A 57 -0.750 -1.881 4.096 1.00 0.00 N ATOM 865 CA GLU A 57 -2.015 -2.109 4.858 1.00 0.00 C ATOM 866 C GLU A 57 -3.006 -0.990 4.426 1.00 0.00 C ATOM 867 O GLU A 57 -4.130 -1.244 4.028 1.00 0.00 O ATOM 868 CB GLU A 57 -1.803 -1.972 6.376 1.00 0.00 C ATOM 869 CG GLU A 57 -0.632 -2.832 6.893 1.00 0.00 C ATOM 870 CD GLU A 57 -0.520 -2.769 8.424 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.002 -1.799 8.987 1.00 0.00 O ATOM 872 OE2 GLU A 57 0.047 -3.707 8.957 1.00 0.00 O ATOM 0 H GLU A 57 0.097 -1.770 4.653 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.379 -3.115 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.616 -0.926 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.717 -2.261 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.773 -3.866 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.300 -2.487 6.444 1.00 0.00 H new ATOM 879 N THR A 58 -2.529 0.235 4.513 1.00 0.00 N ATOM 880 CA THR A 58 -3.388 1.399 4.126 1.00 0.00 C ATOM 881 C THR A 58 -3.716 1.409 2.630 1.00 0.00 C ATOM 882 O THR A 58 -4.531 2.222 2.235 1.00 0.00 O ATOM 883 CB THR A 58 -2.676 2.792 4.537 1.00 0.00 C ATOM 884 OG1 THR A 58 -3.323 3.871 3.846 1.00 0.00 O ATOM 885 CG2 THR A 58 -1.227 2.947 4.117 1.00 0.00 C ATOM 0 H THR A 58 -1.590 0.474 4.833 1.00 0.00 H new ATOM 0 HA THR A 58 -4.326 1.293 4.671 1.00 0.00 H new ATOM 0 HB THR A 58 -2.745 2.800 5.625 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.104 3.529 3.363 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.855 3.917 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.630 2.157 4.572 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.153 2.879 3.032 1.00 0.00 H new ATOM 893 N TYR A 59 -3.129 0.572 1.811 1.00 0.00 N ATOM 894 CA TYR A 59 -3.537 0.672 0.360 1.00 0.00 C ATOM 895 C TYR A 59 -4.788 -0.141 0.042 1.00 0.00 C ATOM 896 O TYR A 59 -5.206 -0.232 -1.103 1.00 0.00 O ATOM 897 CB TYR A 59 -2.369 0.227 -0.491 1.00 0.00 C ATOM 898 CG TYR A 59 -1.513 1.476 -0.736 1.00 0.00 C ATOM 899 CD1 TYR A 59 -1.811 2.381 -1.737 1.00 0.00 C ATOM 900 CD2 TYR A 59 -0.427 1.711 0.055 1.00 0.00 C ATOM 901 CE1 TYR A 59 -1.021 3.498 -1.929 1.00 0.00 C ATOM 902 CE2 TYR A 59 0.354 2.813 -0.130 1.00 0.00 C ATOM 903 CZ TYR A 59 0.074 3.718 -1.119 1.00 0.00 C ATOM 904 OH TYR A 59 0.916 4.797 -1.279 1.00 0.00 O ATOM 0 H TYR A 59 -2.432 -0.133 2.051 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.795 1.708 0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.792 -0.547 0.015 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.714 -0.198 -1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.667 2.214 -2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.182 1.012 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.261 4.200 -2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.206 2.975 0.513 1.00 0.00 H new ATOM 0 HH TYR A 59 1.845 4.508 -1.160 1.00 0.00 H new ATOM 914 N CYS A 60 -5.337 -0.724 1.075 1.00 0.00 N ATOM 915 CA CYS A 60 -6.567 -1.531 0.905 1.00 0.00 C ATOM 916 C CYS A 60 -7.708 -0.660 0.350 1.00 0.00 C ATOM 917 O CYS A 60 -7.555 0.536 0.217 1.00 0.00 O ATOM 918 CB CYS A 60 -6.951 -2.100 2.249 1.00 0.00 C ATOM 919 SG CYS A 60 -7.809 -3.679 2.132 1.00 0.00 S ATOM 0 H CYS A 60 -4.981 -0.672 2.029 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.385 -2.338 0.196 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.053 -2.226 2.853 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.588 -1.385 2.770 1.00 0.00 H new ATOM 924 N ALA A 61 -8.822 -1.258 0.034 1.00 0.00 N ATOM 925 CA ALA A 61 -9.954 -0.454 -0.513 1.00 0.00 C ATOM 926 C ALA A 61 -10.856 0.101 0.595 1.00 0.00 C ATOM 927 O ALA A 61 -10.648 1.205 1.055 1.00 0.00 O ATOM 928 CB ALA A 61 -10.777 -1.343 -1.492 1.00 0.00 C ATOM 0 H ALA A 61 -8.999 -2.258 0.129 1.00 0.00 H new ATOM 0 HA ALA A 61 -9.542 0.405 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.607 -0.765 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.135 -1.677 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.165 -2.210 -0.957 1.00 0.00 H new ATOM 934 N THR A 62 -11.806 -0.714 0.984 1.00 0.00 N ATOM 935 CA THR A 62 -12.838 -0.437 2.034 1.00 0.00 C ATOM 936 C THR A 62 -13.409 1.020 2.158 1.00 0.00 C ATOM 937 O THR A 62 -12.857 1.972 1.645 1.00 0.00 O ATOM 938 CB THR A 62 -12.148 -1.008 3.338 1.00 0.00 C ATOM 939 OG1 THR A 62 -12.489 -0.252 4.488 1.00 0.00 O ATOM 940 CG2 THR A 62 -10.612 -1.085 3.264 1.00 0.00 C ATOM 0 H THR A 62 -11.912 -1.643 0.576 1.00 0.00 H new ATOM 0 HA THR A 62 -13.786 -0.913 1.782 1.00 0.00 H new ATOM 0 HB THR A 62 -12.534 -2.025 3.412 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.046 -0.635 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.222 -1.487 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.320 -1.735 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.205 -0.087 3.101 1.00 0.00 H new ATOM 948 N PRO A 63 -14.526 1.202 2.832 1.00 0.00 N ATOM 949 CA PRO A 63 -15.159 2.554 2.987 1.00 0.00 C ATOM 950 C PRO A 63 -14.375 3.522 3.897 1.00 0.00 C ATOM 951 O PRO A 63 -14.926 4.432 4.487 1.00 0.00 O ATOM 952 CB PRO A 63 -16.552 2.230 3.507 1.00 0.00 C ATOM 953 CG PRO A 63 -16.305 0.969 4.372 1.00 0.00 C ATOM 954 CD PRO A 63 -15.321 0.141 3.519 1.00 0.00 C ATOM 0 HA PRO A 63 -15.176 3.106 2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.966 3.050 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -17.252 2.034 2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.880 1.224 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.230 0.424 4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.693 -0.504 4.134 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.840 -0.502 2.809 1.00 0.00 H new ATOM 962 N ALA A 64 -13.098 3.294 3.969 1.00 0.00 N ATOM 963 CA ALA A 64 -12.151 4.099 4.791 1.00 0.00 C ATOM 964 C ALA A 64 -11.891 5.490 4.157 1.00 0.00 C ATOM 965 O ALA A 64 -10.770 5.958 4.090 1.00 0.00 O ATOM 966 CB ALA A 64 -10.883 3.213 4.901 1.00 0.00 C ATOM 0 H ALA A 64 -12.644 2.535 3.460 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.540 4.338 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.128 3.730 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.139 2.270 5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.489 3.016 3.904 1.00 0.00 H new ATOM 972 N LYS A 65 -12.940 6.128 3.709 1.00 0.00 N ATOM 973 CA LYS A 65 -12.870 7.458 3.070 1.00 0.00 C ATOM 974 C LYS A 65 -12.639 8.565 4.140 1.00 0.00 C ATOM 975 O LYS A 65 -13.473 9.423 4.353 1.00 0.00 O ATOM 976 CB LYS A 65 -14.210 7.515 2.310 1.00 0.00 C ATOM 977 CG LYS A 65 -14.252 8.689 1.378 1.00 0.00 C ATOM 978 CD LYS A 65 -15.641 8.754 0.674 1.00 0.00 C ATOM 979 CE LYS A 65 -15.769 7.709 -0.459 1.00 0.00 C ATOM 980 NZ LYS A 65 -14.922 8.114 -1.628 1.00 0.00 N ATOM 0 H LYS A 65 -13.887 5.753 3.768 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.035 7.623 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.351 6.593 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -15.033 7.582 3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.071 9.611 1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.460 8.603 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.428 8.588 1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.793 9.753 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.459 6.729 -0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -16.811 7.621 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.153 7.517 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.107 9.110 -1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.917 7.997 -1.386 1.00 0.00 H new ATOM 994 N SER A 66 -11.503 8.494 4.781 1.00 0.00 N ATOM 995 CA SER A 66 -11.134 9.489 5.843 1.00 0.00 C ATOM 996 C SER A 66 -10.657 10.813 5.240 1.00 0.00 C ATOM 997 O SER A 66 -10.196 10.806 4.113 1.00 0.00 O ATOM 998 CB SER A 66 -10.012 8.898 6.700 1.00 0.00 C ATOM 999 OG SER A 66 -8.960 8.638 5.769 1.00 0.00 O ATOM 0 H SER A 66 -10.798 7.776 4.613 1.00 0.00 H new ATOM 0 HA SER A 66 -12.020 9.693 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.694 9.595 7.476 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.333 7.986 7.203 1.00 0.00 H new ATOM 0 HG SER A 66 -8.192 8.255 6.242 1.00 0.00 H new ATOM 1005 N GLU A 67 -10.773 11.868 6.001 1.00 0.00 N ATOM 1006 CA GLU A 67 -10.342 13.211 5.535 1.00 0.00 C ATOM 1007 C GLU A 67 -8.839 13.332 5.881 1.00 0.00 C ATOM 1008 O GLU A 67 -8.038 12.929 5.057 1.00 0.00 O ATOM 1009 CB GLU A 67 -11.203 14.260 6.278 1.00 0.00 C ATOM 1010 CG GLU A 67 -12.709 14.013 6.010 1.00 0.00 C ATOM 1011 CD GLU A 67 -13.523 14.931 6.930 1.00 0.00 C ATOM 1012 OE1 GLU A 67 -13.727 16.064 6.531 1.00 0.00 O ATOM 1013 OE2 GLU A 67 -13.892 14.445 7.986 1.00 0.00 O ATOM 1014 OXT GLU A 67 -8.520 13.818 6.952 1.00 0.00 O ATOM 0 H GLU A 67 -11.157 11.851 6.946 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.473 13.367 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.005 14.209 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.929 15.263 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.946 14.216 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.961 12.969 6.197 1.00 0.00 H new TER 1021 GLU A 67