USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 507 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -24:sc= 1.14 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 175:sc= 0 (180deg=-0.0322) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.539 K(o=0.54,f=-0.26) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0793 K(o=-0.079,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= 1.32 (180deg=1.16) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0.0025 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -26:sc= 0.297 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.102 (180deg=-0.41) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0748 X(o=-0.075,f=-0.075) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 56 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-3.5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 78:sc= 1.22 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.446 -30.610 -0.072 1.00 62.64 N ATOM 2 CA GLY A 1 -20.190 -31.814 -0.469 1.00 63.11 C ATOM 3 C GLY A 1 -21.409 -31.483 -1.312 1.00 63.14 C ATOM 4 O GLY A 1 -22.131 -30.541 -0.988 1.00 63.11 O ATOM 0 H1 GLY A 1 -18.623 -30.884 0.501 1.00 62.64 H new ATOM 0 H2 GLY A 1 -19.123 -30.105 -0.922 1.00 62.64 H new ATOM 0 H3 GLY A 1 -20.065 -29.988 0.486 1.00 62.64 H new ATOM 0 HA2 GLY A 1 -19.532 -32.477 -1.030 1.00 63.11 H new ATOM 0 HA3 GLY A 1 -20.504 -32.356 0.423 1.00 63.11 H new ATOM 10 N SER A 2 -21.664 -32.278 -2.362 1.00 63.31 N ATOM 11 CA SER A 2 -22.685 -32.098 -3.425 1.00 63.47 C ATOM 12 C SER A 2 -22.570 -30.797 -4.243 1.00 62.48 C ATOM 13 O SER A 2 -21.942 -29.834 -3.804 1.00 61.63 O ATOM 14 CB SER A 2 -24.107 -32.316 -2.883 1.00 64.08 C ATOM 15 OG SER A 2 -24.534 -31.241 -2.063 1.00 63.88 O ATOM 0 H SER A 2 -21.125 -33.131 -2.509 1.00 63.31 H new ATOM 0 HA SER A 2 -22.466 -32.882 -4.150 1.00 63.47 H new ATOM 0 HB2 SER A 2 -24.799 -32.433 -3.717 1.00 64.08 H new ATOM 0 HB3 SER A 2 -24.139 -33.243 -2.311 1.00 64.08 H new ATOM 0 HG SER A 2 -23.752 -30.785 -1.689 1.00 63.88 H new ATOM 21 N PHE A 3 -23.167 -30.744 -5.442 1.00 62.66 N ATOM 22 CA PHE A 3 -23.078 -29.555 -6.303 1.00 61.89 C ATOM 23 C PHE A 3 -23.699 -28.298 -5.669 1.00 60.96 C ATOM 24 O PHE A 3 -24.815 -28.327 -5.130 1.00 61.29 O ATOM 25 CB PHE A 3 -23.699 -29.825 -7.682 1.00 62.67 C ATOM 26 CG PHE A 3 -23.689 -28.607 -8.595 1.00 62.42 C ATOM 27 CD1 PHE A 3 -22.497 -28.193 -9.213 1.00 61.99 C ATOM 28 CD2 PHE A 3 -24.858 -27.850 -8.785 1.00 62.69 C ATOM 29 CE1 PHE A 3 -22.472 -27.034 -10.007 1.00 61.84 C ATOM 30 CE2 PHE A 3 -24.841 -26.695 -9.586 1.00 62.55 C ATOM 31 CZ PHE A 3 -23.645 -26.284 -10.198 1.00 62.13 C ATOM 0 H PHE A 3 -23.715 -31.508 -5.837 1.00 62.66 H new ATOM 0 HA PHE A 3 -22.014 -29.350 -6.425 1.00 61.89 H new ATOM 0 HB2 PHE A 3 -23.156 -30.637 -8.165 1.00 62.67 H new ATOM 0 HB3 PHE A 3 -24.727 -30.163 -7.550 1.00 62.67 H new ATOM 0 HD1 PHE A 3 -21.594 -28.769 -9.077 1.00 61.99 H new ATOM 0 HD2 PHE A 3 -25.778 -28.159 -8.311 1.00 62.69 H new ATOM 0 HE1 PHE A 3 -21.549 -26.719 -10.472 1.00 61.84 H new ATOM 0 HE2 PHE A 3 -25.746 -26.124 -9.731 1.00 62.55 H new ATOM 0 HZ PHE A 3 -23.627 -25.396 -10.812 1.00 62.13 H new ATOM 41 N THR A 4 -22.973 -27.187 -5.798 1.00 59.87 N ATOM 42 CA THR A 4 -23.362 -25.823 -5.406 1.00 58.89 C ATOM 43 C THR A 4 -22.865 -24.798 -6.434 1.00 58.40 C ATOM 44 O THR A 4 -21.856 -25.007 -7.122 1.00 58.33 O ATOM 45 CB THR A 4 -22.847 -25.449 -4.004 1.00 58.04 C ATOM 46 OG1 THR A 4 -21.497 -25.822 -3.842 1.00 57.55 O ATOM 47 CG2 THR A 4 -23.625 -26.145 -2.888 1.00 58.71 C ATOM 0 H THR A 4 -22.038 -27.212 -6.204 1.00 59.87 H new ATOM 0 HA THR A 4 -24.451 -25.804 -5.376 1.00 58.89 H new ATOM 0 HB THR A 4 -22.975 -24.369 -3.931 1.00 58.04 H new ATOM 0 HG1 THR A 4 -21.194 -25.572 -2.944 1.00 57.55 H new ATOM 0 HG21 THR A 4 -23.220 -25.846 -1.921 1.00 58.71 H new ATOM 0 HG22 THR A 4 -24.676 -25.861 -2.945 1.00 58.71 H new ATOM 0 HG23 THR A 4 -23.534 -27.225 -3.000 1.00 58.71 H new ATOM 55 N MET A 5 -23.608 -23.695 -6.560 1.00 58.18 N ATOM 56 CA MET A 5 -23.464 -22.671 -7.606 1.00 57.92 C ATOM 57 C MET A 5 -22.443 -21.559 -7.248 1.00 56.67 C ATOM 58 O MET A 5 -22.011 -21.471 -6.093 1.00 55.89 O ATOM 59 CB MET A 5 -24.872 -22.118 -7.913 1.00 58.46 C ATOM 60 CG MET A 5 -25.745 -23.186 -8.592 1.00 59.46 C ATOM 61 SD MET A 5 -27.484 -22.744 -8.876 1.00 60.32 S ATOM 62 CE MET A 5 -27.305 -21.343 -10.015 1.00 60.11 C ATOM 0 H MET A 5 -24.361 -23.479 -5.907 1.00 58.18 H new ATOM 0 HA MET A 5 -23.040 -23.127 -8.501 1.00 57.92 H new ATOM 0 HB2 MET A 5 -25.347 -21.788 -6.989 1.00 58.46 H new ATOM 0 HB3 MET A 5 -24.791 -21.244 -8.559 1.00 58.46 H new ATOM 0 HG2 MET A 5 -25.294 -23.436 -9.553 1.00 59.46 H new ATOM 0 HG3 MET A 5 -25.717 -24.089 -7.982 1.00 59.46 H new ATOM 0 HE1 MET A 5 -28.290 -21.019 -10.351 1.00 60.11 H new ATOM 0 HE2 MET A 5 -26.807 -20.520 -9.503 1.00 60.11 H new ATOM 0 HE3 MET A 5 -26.710 -21.648 -10.876 1.00 60.11 H new ATOM 72 N PRO A 6 -22.038 -20.697 -8.208 1.00 56.49 N ATOM 73 CA PRO A 6 -21.041 -19.647 -7.982 1.00 55.35 C ATOM 74 C PRO A 6 -21.361 -18.698 -6.816 1.00 54.61 C ATOM 75 O PRO A 6 -22.521 -18.411 -6.506 1.00 55.06 O ATOM 76 CB PRO A 6 -20.907 -18.898 -9.311 1.00 55.68 C ATOM 77 CG PRO A 6 -21.232 -19.983 -10.335 1.00 56.90 C ATOM 78 CD PRO A 6 -22.342 -20.764 -9.635 1.00 57.44 C ATOM 0 HA PRO A 6 -20.101 -20.105 -7.673 1.00 55.35 H new ATOM 0 HB2 PRO A 6 -21.599 -18.059 -9.375 1.00 55.68 H new ATOM 0 HB3 PRO A 6 -19.904 -18.495 -9.451 1.00 55.68 H new ATOM 0 HG2 PRO A 6 -21.566 -19.561 -11.283 1.00 56.90 H new ATOM 0 HG3 PRO A 6 -20.367 -20.610 -10.552 1.00 56.90 H new ATOM 0 HD2 PRO A 6 -23.319 -20.330 -9.847 1.00 57.44 H new ATOM 0 HD3 PRO A 6 -22.370 -21.797 -9.980 1.00 57.44 H new ATOM 86 N GLY A 7 -20.310 -18.198 -6.161 1.00 53.53 N ATOM 87 CA GLY A 7 -20.390 -17.286 -5.015 1.00 52.82 C ATOM 88 C GLY A 7 -20.545 -17.965 -3.645 1.00 52.80 C ATOM 89 O GLY A 7 -20.094 -17.398 -2.644 1.00 52.05 O ATOM 0 H GLY A 7 -19.350 -18.423 -6.421 1.00 53.53 H new ATOM 0 HA2 GLY A 7 -19.490 -16.671 -4.998 1.00 52.82 H new ATOM 0 HA3 GLY A 7 -21.234 -16.612 -5.166 1.00 52.82 H new ATOM 93 N LEU A 8 -21.090 -19.188 -3.576 1.00 53.64 N ATOM 94 CA LEU A 8 -21.137 -20.029 -2.360 1.00 53.80 C ATOM 95 C LEU A 8 -20.167 -21.231 -2.416 1.00 53.60 C ATOM 96 O LEU A 8 -20.388 -22.257 -1.771 1.00 54.34 O ATOM 97 CB LEU A 8 -22.586 -20.399 -1.971 1.00 55.00 C ATOM 98 CG LEU A 8 -23.327 -21.347 -2.935 1.00 55.74 C ATOM 99 CD1 LEU A 8 -24.263 -22.277 -2.159 1.00 56.44 C ATOM 100 CD2 LEU A 8 -24.184 -20.572 -3.938 1.00 56.03 C ATOM 0 H LEU A 8 -21.523 -19.636 -4.383 1.00 53.64 H new ATOM 0 HA LEU A 8 -20.760 -19.421 -1.538 1.00 53.80 H new ATOM 0 HB2 LEU A 8 -22.569 -20.859 -0.983 1.00 55.00 H new ATOM 0 HB3 LEU A 8 -23.163 -19.479 -1.884 1.00 55.00 H new ATOM 0 HG LEU A 8 -22.562 -21.916 -3.463 1.00 55.74 H new ATOM 0 HD11 LEU A 8 -24.778 -22.939 -2.855 1.00 56.44 H new ATOM 0 HD12 LEU A 8 -23.682 -22.872 -1.454 1.00 56.44 H new ATOM 0 HD13 LEU A 8 -24.996 -21.683 -1.614 1.00 56.44 H new ATOM 0 HD21 LEU A 8 -24.691 -21.273 -4.601 1.00 56.03 H new ATOM 0 HD22 LEU A 8 -24.925 -19.979 -3.402 1.00 56.03 H new ATOM 0 HD23 LEU A 8 -23.547 -19.912 -4.527 1.00 56.03 H new ATOM 112 N VAL A 9 -19.076 -21.097 -3.177 1.00 52.70 N ATOM 113 CA VAL A 9 -18.064 -22.105 -3.479 1.00 52.51 C ATOM 114 C VAL A 9 -16.683 -21.491 -3.287 1.00 51.19 C ATOM 115 O VAL A 9 -16.396 -20.358 -3.675 1.00 50.58 O ATOM 116 CB VAL A 9 -18.202 -22.676 -4.908 1.00 53.12 C ATOM 117 CG1 VAL A 9 -19.353 -23.678 -4.981 1.00 54.67 C ATOM 118 CG2 VAL A 9 -18.421 -21.604 -5.982 1.00 52.94 C ATOM 0 H VAL A 9 -18.864 -20.209 -3.632 1.00 52.70 H new ATOM 0 HA VAL A 9 -18.207 -22.941 -2.795 1.00 52.51 H new ATOM 0 HB VAL A 9 -17.250 -23.163 -5.116 1.00 53.12 H new ATOM 0 HG11 VAL A 9 -19.432 -24.068 -5.996 1.00 54.67 H new ATOM 0 HG12 VAL A 9 -19.164 -24.500 -4.290 1.00 54.67 H new ATOM 0 HG13 VAL A 9 -20.285 -23.182 -4.709 1.00 54.67 H new ATOM 0 HG21 VAL A 9 -18.509 -22.080 -6.959 1.00 52.94 H new ATOM 0 HG22 VAL A 9 -19.335 -21.052 -5.764 1.00 52.94 H new ATOM 0 HG23 VAL A 9 -17.575 -20.917 -5.988 1.00 52.94 H new ATOM 128 N ASP A 10 -15.824 -22.261 -2.645 1.00 50.83 N ATOM 129 CA ASP A 10 -14.453 -21.923 -2.245 1.00 49.65 C ATOM 130 C ASP A 10 -13.437 -22.005 -3.410 1.00 49.23 C ATOM 131 O ASP A 10 -12.409 -22.681 -3.337 1.00 49.22 O ATOM 132 CB ASP A 10 -14.081 -22.765 -1.013 1.00 49.80 C ATOM 133 CG ASP A 10 -13.995 -24.267 -1.303 1.00 50.73 C ATOM 134 OD1 ASP A 10 -15.038 -24.898 -1.612 1.00 51.71 O ATOM 135 OD2 ASP A 10 -12.880 -24.831 -1.204 1.00 50.58 O ATOM 0 H ASP A 10 -16.075 -23.209 -2.365 1.00 50.83 H new ATOM 0 HA ASP A 10 -14.408 -20.872 -1.961 1.00 49.65 H new ATOM 0 HB2 ASP A 10 -13.122 -22.422 -0.625 1.00 49.80 H new ATOM 0 HB3 ASP A 10 -14.820 -22.596 -0.230 1.00 49.80 H new ATOM 140 N SER A 11 -13.722 -21.300 -4.507 1.00 49.01 N ATOM 141 CA SER A 11 -12.971 -21.323 -5.777 1.00 48.86 C ATOM 142 C SER A 11 -11.633 -20.553 -5.752 1.00 47.41 C ATOM 143 O SER A 11 -11.223 -19.958 -6.750 1.00 47.07 O ATOM 144 CB SER A 11 -13.881 -20.854 -6.920 1.00 49.53 C ATOM 145 OG SER A 11 -15.085 -21.603 -6.938 1.00 50.82 O ATOM 0 H SER A 11 -14.520 -20.665 -4.542 1.00 49.01 H new ATOM 0 HA SER A 11 -12.674 -22.358 -5.944 1.00 48.86 H new ATOM 0 HB2 SER A 11 -14.107 -19.794 -6.801 1.00 49.53 H new ATOM 0 HB3 SER A 11 -13.363 -20.964 -7.873 1.00 49.53 H new ATOM 0 HG SER A 11 -15.654 -21.290 -7.672 1.00 50.82 H new ATOM 151 N ASN A 12 -10.939 -20.551 -4.612 1.00 46.62 N ATOM 152 CA ASN A 12 -9.620 -19.943 -4.414 1.00 45.30 C ATOM 153 C ASN A 12 -8.465 -20.953 -4.611 1.00 44.99 C ATOM 154 O ASN A 12 -8.655 -22.147 -4.353 1.00 45.70 O ATOM 155 CB ASN A 12 -9.583 -19.306 -3.013 1.00 44.70 C ATOM 156 CG ASN A 12 -9.739 -20.323 -1.898 1.00 45.03 C ATOM 157 OD1 ASN A 12 -10.844 -20.615 -1.459 1.00 45.60 O ATOM 158 ND2 ASN A 12 -8.672 -20.929 -1.436 1.00 44.83 N ATOM 0 H ASN A 12 -11.296 -20.992 -3.764 1.00 46.62 H new ATOM 0 HA ASN A 12 -9.469 -19.176 -5.174 1.00 45.30 H new ATOM 0 HB2 ASN A 12 -8.639 -18.776 -2.885 1.00 44.70 H new ATOM 0 HB3 ASN A 12 -10.378 -18.564 -2.935 1.00 44.70 H new ATOM 0 HD21 ASN A 12 -8.764 -21.642 -0.712 1.00 44.83 H new ATOM 0 HD22 ASN A 12 -7.750 -20.687 -1.800 1.00 44.83 H new ATOM 165 N PRO A 13 -7.254 -20.494 -4.982 1.00 44.03 N ATOM 166 CA PRO A 13 -6.043 -21.319 -4.994 1.00 43.67 C ATOM 167 C PRO A 13 -5.490 -21.552 -3.573 1.00 42.77 C ATOM 168 O PRO A 13 -5.987 -20.984 -2.592 1.00 42.22 O ATOM 169 CB PRO A 13 -5.068 -20.535 -5.879 1.00 42.95 C ATOM 170 CG PRO A 13 -5.415 -19.082 -5.560 1.00 42.38 C ATOM 171 CD PRO A 13 -6.932 -19.128 -5.385 1.00 43.32 C ATOM 0 HA PRO A 13 -6.226 -22.323 -5.377 1.00 43.67 H new ATOM 0 HB2 PRO A 13 -4.030 -20.765 -5.639 1.00 42.95 H new ATOM 0 HB3 PRO A 13 -5.209 -20.762 -6.936 1.00 42.95 H new ATOM 0 HG2 PRO A 13 -4.914 -18.735 -4.656 1.00 42.38 H new ATOM 0 HG3 PRO A 13 -5.121 -18.409 -6.366 1.00 42.38 H new ATOM 0 HD2 PRO A 13 -7.259 -18.412 -4.631 1.00 43.32 H new ATOM 0 HD3 PRO A 13 -7.439 -18.866 -6.314 1.00 43.32 H new ATOM 179 N ALA A 14 -4.438 -22.368 -3.453 1.00 42.70 N ATOM 180 CA ALA A 14 -3.711 -22.592 -2.200 1.00 41.92 C ATOM 181 C ALA A 14 -2.910 -21.342 -1.746 1.00 40.35 C ATOM 182 O ALA A 14 -2.503 -20.536 -2.597 1.00 39.76 O ATOM 183 CB ALA A 14 -2.807 -23.821 -2.377 1.00 42.63 C ATOM 0 H ALA A 14 -4.062 -22.900 -4.237 1.00 42.70 H new ATOM 0 HA ALA A 14 -4.429 -22.778 -1.401 1.00 41.92 H new ATOM 0 HB1 ALA A 14 -2.257 -24.004 -1.454 1.00 42.63 H new ATOM 0 HB2 ALA A 14 -3.419 -24.692 -2.614 1.00 42.63 H new ATOM 0 HB3 ALA A 14 -2.103 -23.641 -3.189 1.00 42.63 H new ATOM 189 N PRO A 15 -2.668 -21.162 -0.428 1.00 39.77 N ATOM 190 CA PRO A 15 -2.017 -19.972 0.123 1.00 38.40 C ATOM 191 C PRO A 15 -0.479 -19.958 -0.061 1.00 37.58 C ATOM 192 O PRO A 15 0.141 -21.023 -0.181 1.00 38.11 O ATOM 193 CB PRO A 15 -2.430 -19.932 1.600 1.00 38.40 C ATOM 194 CG PRO A 15 -2.627 -21.403 1.952 1.00 39.46 C ATOM 195 CD PRO A 15 -3.172 -21.999 0.655 1.00 40.50 C ATOM 0 HA PRO A 15 -2.337 -19.079 -0.414 1.00 38.40 H new ATOM 0 HB2 PRO A 15 -1.661 -19.470 2.220 1.00 38.40 H new ATOM 0 HB3 PRO A 15 -3.345 -19.358 1.746 1.00 38.40 H new ATOM 0 HG2 PRO A 15 -1.691 -21.875 2.251 1.00 39.46 H new ATOM 0 HG3 PRO A 15 -3.326 -21.530 2.779 1.00 39.46 H new ATOM 0 HD2 PRO A 15 -2.843 -23.031 0.534 1.00 40.50 H new ATOM 0 HD3 PRO A 15 -4.262 -22.011 0.661 1.00 40.50 H new ATOM 203 N PRO A 16 0.151 -18.762 -0.061 1.00 36.41 N ATOM 204 CA PRO A 16 1.574 -18.556 -0.368 1.00 35.62 C ATOM 205 C PRO A 16 2.530 -18.865 0.800 1.00 35.21 C ATOM 206 O PRO A 16 2.115 -18.993 1.956 1.00 35.36 O ATOM 207 CB PRO A 16 1.664 -17.076 -0.769 1.00 34.67 C ATOM 208 CG PRO A 16 0.600 -16.419 0.105 1.00 34.64 C ATOM 209 CD PRO A 16 -0.506 -17.468 0.112 1.00 35.86 C ATOM 0 HA PRO A 16 1.894 -19.245 -1.149 1.00 35.62 H new ATOM 0 HB2 PRO A 16 2.655 -16.665 -0.576 1.00 34.67 H new ATOM 0 HB3 PRO A 16 1.460 -16.932 -1.830 1.00 34.67 H new ATOM 0 HG2 PRO A 16 0.970 -16.211 1.109 1.00 34.64 H new ATOM 0 HG3 PRO A 16 0.259 -15.471 -0.312 1.00 34.64 H new ATOM 0 HD2 PRO A 16 -1.064 -17.438 1.048 1.00 35.86 H new ATOM 0 HD3 PRO A 16 -1.220 -17.285 -0.691 1.00 35.86 H new ATOM 217 N GLU A 17 3.835 -18.912 0.514 1.00 34.79 N ATOM 218 CA GLU A 17 4.900 -18.960 1.532 1.00 34.36 C ATOM 219 C GLU A 17 5.043 -17.605 2.263 1.00 33.27 C ATOM 220 O GLU A 17 5.027 -16.544 1.631 1.00 32.76 O ATOM 221 CB GLU A 17 6.231 -19.423 0.899 1.00 34.69 C ATOM 222 CG GLU A 17 7.386 -19.436 1.917 1.00 34.50 C ATOM 223 CD GLU A 17 8.682 -20.072 1.393 1.00 35.13 C ATOM 224 OE1 GLU A 17 9.104 -19.780 0.244 1.00 34.89 O ATOM 225 OE2 GLU A 17 9.293 -20.872 2.146 1.00 36.01 O ATOM 0 H GLU A 17 4.190 -18.918 -0.442 1.00 34.79 H new ATOM 0 HA GLU A 17 4.621 -19.694 2.288 1.00 34.36 H new ATOM 0 HB2 GLU A 17 6.105 -20.422 0.482 1.00 34.69 H new ATOM 0 HB3 GLU A 17 6.487 -18.762 0.071 1.00 34.69 H new ATOM 0 HG2 GLU A 17 7.596 -18.411 2.224 1.00 34.50 H new ATOM 0 HG3 GLU A 17 7.064 -19.976 2.807 1.00 34.50 H new ATOM 232 N SER A 18 5.228 -17.636 3.587 1.00 33.01 N ATOM 233 CA SER A 18 5.597 -16.471 4.407 1.00 32.10 C ATOM 234 C SER A 18 7.119 -16.304 4.501 1.00 31.28 C ATOM 235 O SER A 18 7.838 -17.294 4.667 1.00 31.69 O ATOM 236 CB SER A 18 5.007 -16.619 5.815 1.00 32.40 C ATOM 237 OG SER A 18 5.353 -15.506 6.620 1.00 31.72 O ATOM 0 H SER A 18 5.123 -18.491 4.134 1.00 33.01 H new ATOM 0 HA SER A 18 5.190 -15.582 3.925 1.00 32.10 H new ATOM 0 HB2 SER A 18 3.922 -16.707 5.753 1.00 32.40 H new ATOM 0 HB3 SER A 18 5.375 -17.536 6.275 1.00 32.40 H new ATOM 0 HG SER A 18 4.967 -15.616 7.514 1.00 31.72 H new ATOM 243 N GLN A 19 7.608 -15.064 4.473 1.00 30.26 N ATOM 244 CA GLN A 19 9.011 -14.687 4.713 1.00 29.50 C ATOM 245 C GLN A 19 9.123 -13.520 5.719 1.00 28.19 C ATOM 246 O GLN A 19 8.122 -12.932 6.138 1.00 28.07 O ATOM 247 CB GLN A 19 9.728 -14.354 3.386 1.00 29.49 C ATOM 248 CG GLN A 19 9.766 -15.509 2.362 1.00 30.63 C ATOM 249 CD GLN A 19 8.568 -15.570 1.414 1.00 31.33 C ATOM 250 OE1 GLN A 19 7.695 -14.713 1.382 1.00 30.95 O ATOM 251 NE2 GLN A 19 8.481 -16.569 0.568 1.00 32.51 N ATOM 0 H GLN A 19 7.016 -14.257 4.275 1.00 30.26 H new ATOM 0 HA GLN A 19 9.511 -15.547 5.159 1.00 29.50 H new ATOM 0 HB2 GLN A 19 9.234 -13.497 2.928 1.00 29.49 H new ATOM 0 HB3 GLN A 19 10.751 -14.051 3.608 1.00 29.49 H new ATOM 0 HG2 GLN A 19 10.676 -15.419 1.769 1.00 30.63 H new ATOM 0 HG3 GLN A 19 9.831 -16.453 2.903 1.00 30.63 H new ATOM 0 HE21 GLN A 19 9.192 -17.301 0.568 1.00 32.51 H new ATOM 0 HE22 GLN A 19 7.703 -16.614 -0.090 1.00 32.51 H new ATOM 260 N GLU A 20 10.350 -13.182 6.120 1.00 27.37 N ATOM 261 CA GLU A 20 10.657 -12.088 7.057 1.00 26.16 C ATOM 262 C GLU A 20 10.344 -10.670 6.535 1.00 24.31 C ATOM 263 O GLU A 20 10.133 -10.453 5.336 1.00 24.06 O ATOM 264 CB GLU A 20 12.106 -12.225 7.569 1.00 26.58 C ATOM 265 CG GLU A 20 13.222 -12.252 6.507 1.00 26.48 C ATOM 266 CD GLU A 20 13.799 -10.874 6.171 1.00 26.11 C ATOM 267 OE1 GLU A 20 14.451 -10.261 7.047 1.00 26.03 O ATOM 268 OE2 GLU A 20 13.676 -10.434 5.001 1.00 26.06 O ATOM 0 H GLU A 20 11.184 -13.672 5.796 1.00 27.37 H new ATOM 0 HA GLU A 20 9.969 -12.202 7.895 1.00 26.16 H new ATOM 0 HB2 GLU A 20 12.305 -11.397 8.249 1.00 26.58 H new ATOM 0 HB3 GLU A 20 12.173 -13.142 8.155 1.00 26.58 H new ATOM 0 HG2 GLU A 20 14.028 -12.896 6.859 1.00 26.48 H new ATOM 0 HG3 GLU A 20 12.830 -12.702 5.595 1.00 26.48 H new ATOM 275 N LYS A 21 10.304 -9.704 7.465 1.00 23.13 N ATOM 276 CA LYS A 21 10.101 -8.262 7.228 1.00 21.33 C ATOM 277 C LYS A 21 11.358 -7.462 7.567 1.00 20.05 C ATOM 278 O LYS A 21 12.116 -7.840 8.465 1.00 20.43 O ATOM 279 CB LYS A 21 8.930 -7.730 8.083 1.00 21.18 C ATOM 280 CG LYS A 21 7.557 -7.803 7.409 1.00 20.81 C ATOM 281 CD LYS A 21 7.028 -9.226 7.230 1.00 21.87 C ATOM 282 CE LYS A 21 5.663 -9.143 6.551 1.00 21.85 C ATOM 283 NZ LYS A 21 5.244 -10.459 6.028 1.00 22.85 N ATOM 0 H LYS A 21 10.418 -9.916 8.456 1.00 23.13 H new ATOM 0 HA LYS A 21 9.873 -8.138 6.169 1.00 21.33 H new ATOM 0 HB2 LYS A 21 8.892 -8.295 9.014 1.00 21.18 H new ATOM 0 HB3 LYS A 21 9.134 -6.693 8.348 1.00 21.18 H new ATOM 0 HG2 LYS A 21 6.842 -7.232 8.001 1.00 20.81 H new ATOM 0 HG3 LYS A 21 7.617 -7.323 6.432 1.00 20.81 H new ATOM 0 HD2 LYS A 21 7.718 -9.815 6.626 1.00 21.87 H new ATOM 0 HD3 LYS A 21 6.943 -9.725 8.195 1.00 21.87 H new ATOM 0 HE2 LYS A 21 4.922 -8.779 7.263 1.00 21.85 H new ATOM 0 HE3 LYS A 21 5.703 -8.421 5.735 1.00 21.85 H new ATOM 0 HZ1 LYS A 21 4.313 -10.371 5.572 1.00 22.85 H new ATOM 0 HZ2 LYS A 21 5.940 -10.793 5.332 1.00 22.85 H new ATOM 0 HZ3 LYS A 21 5.183 -11.140 6.811 1.00 22.85 H new ATOM 297 N LYS A 22 11.551 -6.305 6.926 1.00 18.65 N ATOM 298 CA LYS A 22 12.525 -5.294 7.396 1.00 17.34 C ATOM 299 C LYS A 22 12.108 -4.710 8.766 1.00 16.13 C ATOM 300 O LYS A 22 10.916 -4.712 9.089 1.00 15.93 O ATOM 301 CB LYS A 22 12.719 -4.171 6.358 1.00 16.63 C ATOM 302 CG LYS A 22 13.853 -4.415 5.344 1.00 17.47 C ATOM 303 CD LYS A 22 13.585 -5.503 4.299 1.00 18.96 C ATOM 304 CE LYS A 22 13.954 -6.908 4.787 1.00 20.41 C ATOM 305 NZ LYS A 22 13.590 -7.938 3.792 1.00 21.90 N ATOM 0 H LYS A 22 11.049 -6.038 6.079 1.00 18.65 H new ATOM 0 HA LYS A 22 13.483 -5.799 7.521 1.00 17.34 H new ATOM 0 HB2 LYS A 22 11.786 -4.036 5.812 1.00 16.63 H new ATOM 0 HB3 LYS A 22 12.918 -3.238 6.886 1.00 16.63 H new ATOM 0 HG2 LYS A 22 14.058 -3.479 4.824 1.00 17.47 H new ATOM 0 HG3 LYS A 22 14.757 -4.679 5.893 1.00 17.47 H new ATOM 0 HD2 LYS A 22 12.530 -5.485 4.027 1.00 18.96 H new ATOM 0 HD3 LYS A 22 14.151 -5.278 3.395 1.00 18.96 H new ATOM 0 HE2 LYS A 22 15.024 -6.956 4.987 1.00 20.41 H new ATOM 0 HE3 LYS A 22 13.444 -7.113 5.728 1.00 20.41 H new ATOM 0 HZ1 LYS A 22 13.563 -8.870 4.252 1.00 21.90 H new ATOM 0 HZ2 LYS A 22 12.654 -7.721 3.394 1.00 21.90 H new ATOM 0 HZ3 LYS A 22 14.297 -7.949 3.029 1.00 21.90 H new ATOM 319 N PRO A 23 13.057 -4.200 9.574 1.00 15.51 N ATOM 320 CA PRO A 23 12.771 -3.513 10.839 1.00 14.51 C ATOM 321 C PRO A 23 12.107 -2.137 10.623 1.00 12.81 C ATOM 322 O PRO A 23 11.867 -1.709 9.489 1.00 12.36 O ATOM 323 CB PRO A 23 14.133 -3.408 11.540 1.00 14.66 C ATOM 324 CG PRO A 23 15.118 -3.305 10.379 1.00 15.09 C ATOM 325 CD PRO A 23 14.495 -4.222 9.329 1.00 16.01 C ATOM 0 HA PRO A 23 12.048 -4.059 11.444 1.00 14.51 H new ATOM 0 HB2 PRO A 23 14.185 -2.535 12.190 1.00 14.66 H new ATOM 0 HB3 PRO A 23 14.334 -4.280 12.162 1.00 14.66 H new ATOM 0 HG2 PRO A 23 15.213 -2.281 10.018 1.00 15.09 H new ATOM 0 HG3 PRO A 23 16.117 -3.636 10.664 1.00 15.09 H new ATOM 0 HD2 PRO A 23 14.724 -3.873 8.322 1.00 16.01 H new ATOM 0 HD3 PRO A 23 14.889 -5.235 9.413 1.00 16.01 H new ATOM 333 N LEU A 24 11.809 -1.427 11.713 1.00 12.13 N ATOM 334 CA LEU A 24 11.372 -0.022 11.699 1.00 10.64 C ATOM 335 C LEU A 24 12.499 0.964 11.305 1.00 9.38 C ATOM 336 O LEU A 24 13.643 0.565 11.053 1.00 9.64 O ATOM 337 CB LEU A 24 10.718 0.324 13.060 1.00 11.07 C ATOM 338 CG LEU A 24 11.664 0.682 14.230 1.00 11.14 C ATOM 339 CD1 LEU A 24 10.837 1.017 15.471 1.00 11.87 C ATOM 340 CD2 LEU A 24 12.626 -0.445 14.598 1.00 11.68 C ATOM 0 H LEU A 24 11.865 -1.818 12.653 1.00 12.13 H new ATOM 0 HA LEU A 24 10.625 0.095 10.914 1.00 10.64 H new ATOM 0 HB2 LEU A 24 10.040 1.164 12.905 1.00 11.07 H new ATOM 0 HB3 LEU A 24 10.108 -0.526 13.367 1.00 11.07 H new ATOM 0 HG LEU A 24 12.257 1.533 13.894 1.00 11.14 H new ATOM 0 HD11 LEU A 24 11.504 1.269 16.295 1.00 11.87 H new ATOM 0 HD12 LEU A 24 10.187 1.866 15.257 1.00 11.87 H new ATOM 0 HD13 LEU A 24 10.229 0.155 15.747 1.00 11.87 H new ATOM 0 HD21 LEU A 24 13.260 -0.127 15.425 1.00 11.68 H new ATOM 0 HD22 LEU A 24 12.057 -1.326 14.895 1.00 11.68 H new ATOM 0 HD23 LEU A 24 13.248 -0.688 13.737 1.00 11.68 H new ATOM 352 N LYS A 25 12.173 2.259 11.275 1.00 8.47 N ATOM 353 CA LYS A 25 13.092 3.411 11.224 1.00 7.83 C ATOM 354 C LYS A 25 12.857 4.342 12.439 1.00 7.04 C ATOM 355 O LYS A 25 11.810 4.238 13.087 1.00 6.80 O ATOM 356 CB LYS A 25 12.898 4.124 9.868 1.00 8.30 C ATOM 357 CG LYS A 25 13.581 3.353 8.725 1.00 9.31 C ATOM 358 CD LYS A 25 13.535 4.146 7.411 1.00 10.38 C ATOM 359 CE LYS A 25 14.221 3.429 6.241 1.00 11.22 C ATOM 360 NZ LYS A 25 15.693 3.384 6.404 1.00 12.00 N ATOM 0 H LYS A 25 11.197 2.555 11.286 1.00 8.47 H new ATOM 0 HA LYS A 25 14.130 3.086 11.292 1.00 7.83 H new ATOM 0 HB2 LYS A 25 11.833 4.223 9.657 1.00 8.30 H new ATOM 0 HB3 LYS A 25 13.307 5.133 9.924 1.00 8.30 H new ATOM 0 HG2 LYS A 25 14.618 3.147 8.991 1.00 9.31 H new ATOM 0 HG3 LYS A 25 13.089 2.390 8.588 1.00 9.31 H new ATOM 0 HD2 LYS A 25 12.495 4.340 7.149 1.00 10.38 H new ATOM 0 HD3 LYS A 25 14.011 5.115 7.563 1.00 10.38 H new ATOM 0 HE2 LYS A 25 13.834 2.413 6.161 1.00 11.22 H new ATOM 0 HE3 LYS A 25 13.975 3.938 5.309 1.00 11.22 H new ATOM 0 HZ1 LYS A 25 16.117 2.891 5.592 1.00 12.00 H new ATOM 0 HZ2 LYS A 25 16.066 4.353 6.455 1.00 12.00 H new ATOM 0 HZ3 LYS A 25 15.930 2.876 7.280 1.00 12.00 H new ATOM 374 N PRO A 26 13.773 5.278 12.770 1.00 7.24 N ATOM 375 CA PRO A 26 13.673 6.134 13.968 1.00 7.09 C ATOM 376 C PRO A 26 12.531 7.178 13.964 1.00 6.61 C ATOM 377 O PRO A 26 12.386 7.939 14.922 1.00 7.44 O ATOM 378 CB PRO A 26 15.058 6.774 14.128 1.00 8.31 C ATOM 379 CG PRO A 26 15.626 6.769 12.712 1.00 9.00 C ATOM 380 CD PRO A 26 15.077 5.465 12.143 1.00 8.30 C ATOM 0 HA PRO A 26 13.393 5.518 14.823 1.00 7.09 H new ATOM 0 HB2 PRO A 26 14.988 7.786 14.527 1.00 8.31 H new ATOM 0 HB3 PRO A 26 15.686 6.204 14.813 1.00 8.31 H new ATOM 0 HG2 PRO A 26 15.294 7.634 12.138 1.00 9.00 H new ATOM 0 HG3 PRO A 26 16.716 6.785 12.711 1.00 9.00 H new ATOM 0 HD2 PRO A 26 14.986 5.519 11.058 1.00 8.30 H new ATOM 0 HD3 PRO A 26 15.742 4.630 12.366 1.00 8.30 H new ATOM 388 N CYS A 27 11.698 7.210 12.921 1.00 5.99 N ATOM 389 CA CYS A 27 10.437 7.956 12.838 1.00 6.06 C ATOM 390 C CYS A 27 9.301 7.036 12.343 1.00 5.01 C ATOM 391 O CYS A 27 9.550 6.055 11.635 1.00 5.17 O ATOM 392 CB CYS A 27 10.627 9.223 11.982 1.00 7.55 C ATOM 393 SG CYS A 27 11.590 8.914 10.467 1.00 8.40 S ATOM 0 H CYS A 27 11.894 6.689 12.066 1.00 5.99 H new ATOM 0 HA CYS A 27 10.139 8.297 13.829 1.00 6.06 H new ATOM 0 HB2 CYS A 27 9.650 9.622 11.711 1.00 7.55 H new ATOM 0 HB3 CYS A 27 11.129 9.986 12.577 1.00 7.55 H new ATOM 0 HG CYS A 27 11.709 10.021 9.795 1.00 8.40 H new ATOM 399 N CYS A 28 8.055 7.322 12.735 1.00 4.68 N ATOM 400 CA CYS A 28 6.929 6.403 12.551 1.00 3.96 C ATOM 401 C CYS A 28 6.475 6.326 11.080 1.00 3.85 C ATOM 402 O CYS A 28 6.016 7.319 10.497 1.00 4.62 O ATOM 403 CB CYS A 28 5.809 6.797 13.522 1.00 4.54 C ATOM 404 SG CYS A 28 4.439 5.609 13.403 1.00 5.96 S ATOM 0 H CYS A 28 7.799 8.199 13.189 1.00 4.68 H new ATOM 0 HA CYS A 28 7.241 5.386 12.789 1.00 3.96 H new ATOM 0 HB2 CYS A 28 6.192 6.822 14.542 1.00 4.54 H new ATOM 0 HB3 CYS A 28 5.452 7.801 13.291 1.00 4.54 H new ATOM 0 HG CYS A 28 3.496 5.950 14.231 1.00 5.96 H new ATOM 410 N ALA A 29 6.622 5.135 10.493 1.00 3.08 N ATOM 411 CA ALA A 29 6.274 4.773 9.123 1.00 2.97 C ATOM 412 C ALA A 29 6.101 3.242 9.029 1.00 2.48 C ATOM 413 O ALA A 29 6.475 2.516 9.954 1.00 2.43 O ATOM 414 CB ALA A 29 7.418 5.246 8.212 1.00 2.84 C ATOM 0 H ALA A 29 7.016 4.344 11.003 1.00 3.08 H new ATOM 0 HA ALA A 29 5.339 5.241 8.817 1.00 2.97 H new ATOM 0 HB1 ALA A 29 7.189 4.990 7.178 1.00 2.84 H new ATOM 0 HB2 ALA A 29 7.532 6.326 8.302 1.00 2.84 H new ATOM 0 HB3 ALA A 29 8.346 4.757 8.510 1.00 2.84 H new ATOM 420 N SER A 30 5.613 2.745 7.893 1.00 2.29 N ATOM 421 CA SER A 30 5.721 1.326 7.511 1.00 1.87 C ATOM 422 C SER A 30 6.541 1.202 6.215 1.00 1.61 C ATOM 423 O SER A 30 5.965 1.200 5.119 1.00 1.84 O ATOM 424 CB SER A 30 4.341 0.664 7.387 1.00 2.00 C ATOM 425 OG SER A 30 3.776 0.374 8.655 1.00 2.09 O ATOM 0 H SER A 30 5.126 3.316 7.202 1.00 2.29 H new ATOM 0 HA SER A 30 6.244 0.788 8.302 1.00 1.87 H new ATOM 0 HB2 SER A 30 3.671 1.322 6.834 1.00 2.00 H new ATOM 0 HB3 SER A 30 4.431 -0.257 6.811 1.00 2.00 H new ATOM 0 HG SER A 30 2.898 -0.045 8.534 1.00 2.09 H new ATOM 431 N PRO A 31 7.888 1.144 6.281 1.00 1.31 N ATOM 432 CA PRO A 31 8.751 0.948 5.106 1.00 1.32 C ATOM 433 C PRO A 31 8.427 -0.306 4.268 1.00 1.04 C ATOM 434 O PRO A 31 8.675 -0.307 3.059 1.00 1.35 O ATOM 435 CB PRO A 31 10.189 0.922 5.652 1.00 1.35 C ATOM 436 CG PRO A 31 10.028 0.646 7.148 1.00 1.01 C ATOM 437 CD PRO A 31 8.716 1.358 7.464 1.00 1.27 C ATOM 0 HA PRO A 31 8.590 1.759 4.395 1.00 1.32 H new ATOM 0 HB2 PRO A 31 10.783 0.147 5.168 1.00 1.35 H new ATOM 0 HB3 PRO A 31 10.697 1.870 5.476 1.00 1.35 H new ATOM 0 HG2 PRO A 31 9.975 -0.421 7.362 1.00 1.01 H new ATOM 0 HG3 PRO A 31 10.859 1.046 7.728 1.00 1.01 H new ATOM 0 HD2 PRO A 31 8.246 0.946 8.357 1.00 1.27 H new ATOM 0 HD3 PRO A 31 8.876 2.420 7.649 1.00 1.27 H new ATOM 445 N GLU A 32 7.833 -1.360 4.840 1.00 0.65 N ATOM 446 CA GLU A 32 7.412 -2.536 4.062 1.00 0.51 C ATOM 447 C GLU A 32 6.156 -2.266 3.235 1.00 0.54 C ATOM 448 O GLU A 32 6.119 -2.649 2.062 1.00 0.51 O ATOM 449 CB GLU A 32 7.189 -3.763 4.959 1.00 0.66 C ATOM 450 CG GLU A 32 8.475 -4.250 5.632 1.00 1.71 C ATOM 451 CD GLU A 32 9.414 -4.932 4.631 1.00 2.96 C ATOM 452 OE1 GLU A 32 10.060 -4.232 3.817 1.00 4.16 O ATOM 453 OE2 GLU A 32 9.527 -6.180 4.650 1.00 3.82 O ATOM 0 H GLU A 32 7.632 -1.425 5.838 1.00 0.65 H new ATOM 0 HA GLU A 32 8.231 -2.749 3.375 1.00 0.51 H new ATOM 0 HB2 GLU A 32 6.454 -3.518 5.726 1.00 0.66 H new ATOM 0 HB3 GLU A 32 6.769 -4.572 4.362 1.00 0.66 H new ATOM 0 HG2 GLU A 32 8.986 -3.406 6.094 1.00 1.71 H new ATOM 0 HG3 GLU A 32 8.226 -4.948 6.431 1.00 1.71 H new ATOM 460 N THR A 33 5.161 -1.559 3.786 1.00 0.69 N ATOM 461 CA THR A 33 3.964 -1.193 3.011 1.00 0.83 C ATOM 462 C THR A 33 4.284 -0.125 1.965 1.00 0.92 C ATOM 463 O THR A 33 3.706 -0.155 0.882 1.00 0.91 O ATOM 464 CB THR A 33 2.768 -0.743 3.866 1.00 1.07 C ATOM 465 OG1 THR A 33 3.059 0.472 4.506 1.00 1.24 O ATOM 466 CG2 THR A 33 2.375 -1.764 4.931 1.00 1.13 C ATOM 0 H THR A 33 5.158 -1.232 4.752 1.00 0.69 H new ATOM 0 HA THR A 33 3.660 -2.116 2.516 1.00 0.83 H new ATOM 0 HB THR A 33 1.930 -0.633 3.178 1.00 1.07 H new ATOM 0 HG1 THR A 33 4.029 0.560 4.616 1.00 1.24 H new ATOM 0 HG21 THR A 33 1.525 -1.387 5.500 1.00 1.13 H new ATOM 0 HG22 THR A 33 2.102 -2.704 4.451 1.00 1.13 H new ATOM 0 HG23 THR A 33 3.217 -1.931 5.603 1.00 1.13 H new ATOM 474 N LYS A 34 5.272 0.750 2.225 1.00 1.10 N ATOM 475 CA LYS A 34 5.863 1.672 1.235 1.00 1.36 C ATOM 476 C LYS A 34 6.470 0.897 0.062 1.00 1.18 C ATOM 477 O LYS A 34 6.101 1.141 -1.087 1.00 1.21 O ATOM 478 CB LYS A 34 6.882 2.607 1.925 1.00 1.79 C ATOM 479 CG LYS A 34 7.897 3.216 0.943 1.00 2.03 C ATOM 480 CD LYS A 34 8.814 4.278 1.552 1.00 2.72 C ATOM 481 CE LYS A 34 9.875 4.629 0.500 1.00 3.06 C ATOM 482 NZ LYS A 34 10.737 5.760 0.919 1.00 3.82 N ATOM 0 H LYS A 34 5.692 0.839 3.150 1.00 1.10 H new ATOM 0 HA LYS A 34 5.078 2.301 0.815 1.00 1.36 H new ATOM 0 HB2 LYS A 34 6.346 3.410 2.430 1.00 1.79 H new ATOM 0 HB3 LYS A 34 7.417 2.049 2.693 1.00 1.79 H new ATOM 0 HG2 LYS A 34 8.512 2.415 0.534 1.00 2.03 H new ATOM 0 HG3 LYS A 34 7.354 3.659 0.108 1.00 2.03 H new ATOM 0 HD2 LYS A 34 8.243 5.164 1.831 1.00 2.72 H new ATOM 0 HD3 LYS A 34 9.285 3.903 2.461 1.00 2.72 H new ATOM 0 HE2 LYS A 34 10.496 3.754 0.309 1.00 3.06 H new ATOM 0 HE3 LYS A 34 9.382 4.881 -0.439 1.00 3.06 H new ATOM 0 HZ1 LYS A 34 11.436 5.958 0.175 1.00 3.82 H new ATOM 0 HZ2 LYS A 34 10.150 6.604 1.076 1.00 3.82 H new ATOM 0 HZ3 LYS A 34 11.230 5.513 1.801 1.00 3.82 H new ATOM 496 N LYS A 35 7.353 -0.074 0.339 1.00 1.07 N ATOM 497 CA LYS A 35 7.954 -0.934 -0.698 1.00 1.08 C ATOM 498 C LYS A 35 6.896 -1.685 -1.512 1.00 0.77 C ATOM 499 O LYS A 35 6.976 -1.711 -2.742 1.00 0.86 O ATOM 500 CB LYS A 35 8.970 -1.896 -0.045 1.00 1.22 C ATOM 501 CG LYS A 35 10.423 -1.459 -0.268 1.00 1.77 C ATOM 502 CD LYS A 35 10.775 -0.033 0.200 1.00 1.96 C ATOM 503 CE LYS A 35 12.223 0.327 -0.156 1.00 2.57 C ATOM 504 NZ LYS A 35 12.461 0.279 -1.618 1.00 3.64 N ATOM 0 H LYS A 35 7.671 -0.287 1.284 1.00 1.07 H new ATOM 0 HA LYS A 35 8.481 -0.299 -1.410 1.00 1.08 H new ATOM 0 HB2 LYS A 35 8.772 -1.955 1.025 1.00 1.22 H new ATOM 0 HB3 LYS A 35 8.829 -2.898 -0.451 1.00 1.22 H new ATOM 0 HG2 LYS A 35 11.077 -2.162 0.248 1.00 1.77 H new ATOM 0 HG3 LYS A 35 10.647 -1.537 -1.332 1.00 1.77 H new ATOM 0 HD2 LYS A 35 10.095 0.682 -0.263 1.00 1.96 H new ATOM 0 HD3 LYS A 35 10.633 0.044 1.278 1.00 1.96 H new ATOM 0 HE2 LYS A 35 12.451 1.326 0.216 1.00 2.57 H new ATOM 0 HE3 LYS A 35 12.902 -0.363 0.345 1.00 2.57 H new ATOM 0 HZ1 LYS A 35 13.336 0.793 -1.844 1.00 3.64 H new ATOM 0 HZ2 LYS A 35 12.553 -0.711 -1.922 1.00 3.64 H new ATOM 0 HZ3 LYS A 35 11.661 0.721 -2.115 1.00 3.64 H new ATOM 518 N ALA A 36 5.872 -2.207 -0.834 1.00 0.48 N ATOM 519 CA ALA A 36 4.756 -2.917 -1.446 1.00 0.33 C ATOM 520 C ALA A 36 3.843 -2.007 -2.295 1.00 0.33 C ATOM 521 O ALA A 36 3.416 -2.436 -3.369 1.00 0.29 O ATOM 522 CB ALA A 36 3.986 -3.635 -0.334 1.00 0.48 C ATOM 0 H ALA A 36 5.798 -2.144 0.181 1.00 0.48 H new ATOM 0 HA ALA A 36 5.149 -3.643 -2.158 1.00 0.33 H new ATOM 0 HB1 ALA A 36 3.143 -4.176 -0.765 1.00 0.48 H new ATOM 0 HB2 ALA A 36 4.648 -4.338 0.171 1.00 0.48 H new ATOM 0 HB3 ALA A 36 3.618 -2.903 0.385 1.00 0.48 H new ATOM 528 N ARG A 37 3.593 -0.756 -1.864 1.00 0.57 N ATOM 529 CA ARG A 37 2.914 0.305 -2.638 1.00 0.83 C ATOM 530 C ARG A 37 3.671 0.594 -3.928 1.00 0.88 C ATOM 531 O ARG A 37 3.113 0.404 -4.998 1.00 0.87 O ATOM 532 CB ARG A 37 2.776 1.601 -1.806 1.00 1.31 C ATOM 533 CG ARG A 37 1.392 1.812 -1.172 1.00 1.23 C ATOM 534 CD ARG A 37 0.275 2.074 -2.196 1.00 1.45 C ATOM 535 NE ARG A 37 0.543 3.287 -2.989 1.00 2.26 N ATOM 536 CZ ARG A 37 -0.250 4.365 -3.130 1.00 2.61 C ATOM 537 NH1 ARG A 37 -1.435 4.471 -2.510 1.00 2.79 N ATOM 538 NH2 ARG A 37 0.160 5.367 -3.919 1.00 3.65 N ATOM 0 H ARG A 37 3.868 -0.443 -0.933 1.00 0.57 H new ATOM 0 HA ARG A 37 1.915 -0.053 -2.886 1.00 0.83 H new ATOM 0 HB2 ARG A 37 3.525 1.590 -1.015 1.00 1.31 H new ATOM 0 HB3 ARG A 37 3.001 2.454 -2.447 1.00 1.31 H new ATOM 0 HG2 ARG A 37 1.134 0.931 -0.584 1.00 1.23 H new ATOM 0 HG3 ARG A 37 1.443 2.653 -0.481 1.00 1.23 H new ATOM 0 HD2 ARG A 37 0.182 1.216 -2.862 1.00 1.45 H new ATOM 0 HD3 ARG A 37 -0.678 2.180 -1.677 1.00 1.45 H new ATOM 0 HE ARG A 37 1.432 3.312 -3.488 1.00 2.26 H new ATOM 0 HH11 ARG A 37 -1.764 3.718 -1.906 1.00 2.79 H new ATOM 0 HH12 ARG A 37 -2.007 5.305 -2.643 1.00 2.79 H new ATOM 0 HH21 ARG A 37 1.058 5.304 -4.399 1.00 3.65 H new ATOM 0 HH22 ARG A 37 -0.426 6.193 -4.040 1.00 3.65 H new ATOM 552 N ASP A 38 4.944 0.972 -3.834 1.00 1.02 N ATOM 553 CA ASP A 38 5.820 1.304 -4.962 1.00 1.24 C ATOM 554 C ASP A 38 5.877 0.158 -5.985 1.00 1.11 C ATOM 555 O ASP A 38 5.725 0.393 -7.184 1.00 1.20 O ATOM 556 CB ASP A 38 7.202 1.638 -4.376 1.00 1.45 C ATOM 557 CG ASP A 38 8.282 1.931 -5.418 1.00 3.43 C ATOM 558 OD1 ASP A 38 8.121 2.889 -6.211 1.00 4.05 O ATOM 559 OD2 ASP A 38 9.321 1.228 -5.394 1.00 4.83 O ATOM 0 H ASP A 38 5.415 1.060 -2.934 1.00 1.02 H new ATOM 0 HA ASP A 38 5.435 2.162 -5.513 1.00 1.24 H new ATOM 0 HB2 ASP A 38 7.104 2.503 -3.720 1.00 1.45 H new ATOM 0 HB3 ASP A 38 7.531 0.804 -3.756 1.00 1.45 H new ATOM 564 N ALA A 39 5.988 -1.086 -5.505 1.00 0.94 N ATOM 565 CA ALA A 39 5.964 -2.285 -6.337 1.00 0.95 C ATOM 566 C ALA A 39 4.585 -2.572 -6.969 1.00 0.80 C ATOM 567 O ALA A 39 4.540 -2.946 -8.138 1.00 1.02 O ATOM 568 CB ALA A 39 6.461 -3.459 -5.490 1.00 0.93 C ATOM 0 H ALA A 39 6.099 -1.286 -4.511 1.00 0.94 H new ATOM 0 HA ALA A 39 6.624 -2.128 -7.190 1.00 0.95 H new ATOM 0 HB1 ALA A 39 6.453 -4.369 -6.089 1.00 0.93 H new ATOM 0 HB2 ALA A 39 7.477 -3.258 -5.150 1.00 0.93 H new ATOM 0 HB3 ALA A 39 5.808 -3.587 -4.627 1.00 0.93 H new ATOM 574 N CYS A 40 3.465 -2.364 -6.263 1.00 0.51 N ATOM 575 CA CYS A 40 2.117 -2.541 -6.830 1.00 0.41 C ATOM 576 C CYS A 40 1.774 -1.430 -7.841 1.00 0.42 C ATOM 577 O CYS A 40 1.190 -1.689 -8.894 1.00 0.49 O ATOM 578 CB CYS A 40 1.080 -2.631 -5.697 1.00 0.33 C ATOM 579 SG CYS A 40 -0.539 -3.302 -6.191 1.00 0.49 S ATOM 0 H CYS A 40 3.465 -2.069 -5.286 1.00 0.51 H new ATOM 0 HA CYS A 40 2.095 -3.478 -7.387 1.00 0.41 H new ATOM 0 HB2 CYS A 40 1.487 -3.253 -4.900 1.00 0.33 H new ATOM 0 HB3 CYS A 40 0.932 -1.635 -5.280 1.00 0.33 H new ATOM 584 N ILE A 41 2.207 -0.194 -7.576 1.00 0.55 N ATOM 585 CA ILE A 41 2.115 0.925 -8.520 1.00 0.75 C ATOM 586 C ILE A 41 2.968 0.650 -9.771 1.00 0.98 C ATOM 587 O ILE A 41 2.525 0.981 -10.871 1.00 1.06 O ATOM 588 CB ILE A 41 2.432 2.262 -7.800 1.00 1.06 C ATOM 589 CG1 ILE A 41 1.170 2.877 -7.146 1.00 1.10 C ATOM 590 CG2 ILE A 41 2.981 3.334 -8.756 1.00 1.40 C ATOM 591 CD1 ILE A 41 0.444 2.040 -6.085 1.00 0.97 C ATOM 0 H ILE A 41 2.637 0.062 -6.687 1.00 0.55 H new ATOM 0 HA ILE A 41 1.093 1.024 -8.887 1.00 0.75 H new ATOM 0 HB ILE A 41 3.179 2.000 -7.051 1.00 1.06 H new ATOM 0 HG12 ILE A 41 1.455 3.825 -6.690 1.00 1.10 H new ATOM 0 HG13 ILE A 41 0.458 3.107 -7.939 1.00 1.10 H new ATOM 0 HG21 ILE A 41 3.185 4.248 -8.199 1.00 1.40 H new ATOM 0 HG22 ILE A 41 3.902 2.975 -9.215 1.00 1.40 H new ATOM 0 HG23 ILE A 41 2.245 3.540 -9.533 1.00 1.40 H new ATOM 0 HD11 ILE A 41 -0.419 2.593 -5.714 1.00 0.97 H new ATOM 0 HD12 ILE A 41 0.111 1.101 -6.527 1.00 0.97 H new ATOM 0 HD13 ILE A 41 1.124 1.831 -5.259 1.00 0.97 H new ATOM 603 N ILE A 42 4.121 -0.025 -9.638 1.00 1.16 N ATOM 604 CA ILE A 42 4.866 -0.545 -10.808 1.00 1.51 C ATOM 605 C ILE A 42 4.107 -1.688 -11.520 1.00 1.53 C ATOM 606 O ILE A 42 4.016 -1.691 -12.747 1.00 1.77 O ATOM 607 CB ILE A 42 6.313 -0.934 -10.409 1.00 1.77 C ATOM 608 CG1 ILE A 42 7.141 0.341 -10.123 1.00 1.95 C ATOM 609 CG2 ILE A 42 7.021 -1.758 -11.504 1.00 2.08 C ATOM 610 CD1 ILE A 42 8.429 0.092 -9.326 1.00 2.75 C ATOM 0 H ILE A 42 4.560 -0.225 -8.739 1.00 1.16 H new ATOM 0 HA ILE A 42 4.942 0.256 -11.543 1.00 1.51 H new ATOM 0 HB ILE A 42 6.243 -1.553 -9.514 1.00 1.77 H new ATOM 0 HG12 ILE A 42 7.400 0.812 -11.071 1.00 1.95 H new ATOM 0 HG13 ILE A 42 6.519 1.049 -9.574 1.00 1.95 H new ATOM 0 HG21 ILE A 42 8.031 -2.006 -11.177 1.00 2.08 H new ATOM 0 HG22 ILE A 42 6.463 -2.676 -11.686 1.00 2.08 H new ATOM 0 HG23 ILE A 42 7.070 -1.175 -12.424 1.00 2.08 H new ATOM 0 HD11 ILE A 42 8.949 1.037 -9.170 1.00 2.75 H new ATOM 0 HD12 ILE A 42 8.180 -0.349 -8.361 1.00 2.75 H new ATOM 0 HD13 ILE A 42 9.074 -0.589 -9.881 1.00 2.75 H new ATOM 622 N GLU A 43 3.533 -2.650 -10.791 1.00 1.37 N ATOM 623 CA GLU A 43 2.840 -3.813 -11.377 1.00 1.56 C ATOM 624 C GLU A 43 1.510 -3.477 -12.075 1.00 1.37 C ATOM 625 O GLU A 43 1.178 -4.117 -13.078 1.00 1.78 O ATOM 626 CB GLU A 43 2.552 -4.866 -10.295 1.00 1.71 C ATOM 627 CG GLU A 43 3.758 -5.738 -9.932 1.00 2.14 C ATOM 628 CD GLU A 43 3.323 -6.853 -8.976 1.00 3.38 C ATOM 629 OE1 GLU A 43 3.325 -6.656 -7.741 1.00 4.68 O ATOM 630 OE2 GLU A 43 2.959 -7.954 -9.460 1.00 4.01 O ATOM 0 H GLU A 43 3.533 -2.648 -9.771 1.00 1.37 H new ATOM 0 HA GLU A 43 3.523 -4.191 -12.138 1.00 1.56 H new ATOM 0 HB2 GLU A 43 2.200 -4.360 -9.396 1.00 1.71 H new ATOM 0 HB3 GLU A 43 1.742 -5.510 -10.637 1.00 1.71 H new ATOM 0 HG2 GLU A 43 4.192 -6.169 -10.834 1.00 2.14 H new ATOM 0 HG3 GLU A 43 4.532 -5.128 -9.466 1.00 2.14 H new ATOM 637 N LYS A 44 0.727 -2.527 -11.546 1.00 0.84 N ATOM 638 CA LYS A 44 -0.636 -2.194 -12.012 1.00 0.73 C ATOM 639 C LYS A 44 -0.949 -0.694 -12.034 1.00 0.56 C ATOM 640 O LYS A 44 -1.560 -0.221 -12.998 1.00 0.87 O ATOM 641 CB LYS A 44 -1.672 -2.885 -11.109 1.00 0.99 C ATOM 642 CG LYS A 44 -1.741 -4.412 -11.249 1.00 1.65 C ATOM 643 CD LYS A 44 -2.870 -4.959 -10.365 1.00 1.91 C ATOM 644 CE LYS A 44 -3.211 -6.413 -10.712 1.00 3.00 C ATOM 645 NZ LYS A 44 -4.491 -6.815 -10.082 1.00 4.03 N ATOM 0 H LYS A 44 1.028 -1.950 -10.760 1.00 0.84 H new ATOM 0 HA LYS A 44 -0.687 -2.547 -13.042 1.00 0.73 H new ATOM 0 HB2 LYS A 44 -1.447 -2.641 -10.071 1.00 0.99 H new ATOM 0 HB3 LYS A 44 -2.656 -2.471 -11.328 1.00 0.99 H new ATOM 0 HG2 LYS A 44 -1.916 -4.684 -12.290 1.00 1.65 H new ATOM 0 HG3 LYS A 44 -0.790 -4.857 -10.958 1.00 1.65 H new ATOM 0 HD2 LYS A 44 -2.575 -4.895 -9.318 1.00 1.91 H new ATOM 0 HD3 LYS A 44 -3.758 -4.339 -10.485 1.00 1.91 H new ATOM 0 HE2 LYS A 44 -3.281 -6.527 -11.794 1.00 3.00 H new ATOM 0 HE3 LYS A 44 -2.411 -7.071 -10.373 1.00 3.00 H new ATOM 0 HZ1 LYS A 44 -4.704 -7.802 -10.329 1.00 4.03 H new ATOM 0 HZ2 LYS A 44 -4.413 -6.726 -9.049 1.00 4.03 H new ATOM 0 HZ3 LYS A 44 -5.256 -6.199 -10.426 1.00 4.03 H new ATOM 659 N GLY A 45 -0.564 0.040 -10.988 1.00 0.54 N ATOM 660 CA GLY A 45 -0.922 1.451 -10.786 1.00 0.67 C ATOM 661 C GLY A 45 -1.863 1.703 -9.596 1.00 0.83 C ATOM 662 O GLY A 45 -2.450 0.785 -9.027 1.00 0.91 O ATOM 0 H GLY A 45 0.018 -0.336 -10.240 1.00 0.54 H new ATOM 0 HA2 GLY A 45 -0.009 2.028 -10.640 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -1.395 1.827 -11.693 1.00 0.67 H new ATOM 666 N GLU A 46 -1.995 2.973 -9.213 1.00 1.10 N ATOM 667 CA GLU A 46 -2.669 3.428 -7.987 1.00 1.44 C ATOM 668 C GLU A 46 -4.148 3.026 -7.908 1.00 1.58 C ATOM 669 O GLU A 46 -4.624 2.567 -6.869 1.00 1.75 O ATOM 670 CB GLU A 46 -2.609 4.962 -7.923 1.00 1.78 C ATOM 671 CG GLU A 46 -1.197 5.556 -7.841 1.00 1.97 C ATOM 672 CD GLU A 46 -1.193 7.066 -8.120 1.00 2.72 C ATOM 673 OE1 GLU A 46 -2.191 7.765 -7.810 1.00 2.82 O ATOM 674 OE2 GLU A 46 -0.177 7.556 -8.669 1.00 4.10 O ATOM 0 H GLU A 46 -1.623 3.745 -9.766 1.00 1.10 H new ATOM 0 HA GLU A 46 -2.147 2.950 -7.158 1.00 1.44 H new ATOM 0 HB2 GLU A 46 -3.106 5.366 -8.805 1.00 1.78 H new ATOM 0 HB3 GLU A 46 -3.178 5.296 -7.055 1.00 1.78 H new ATOM 0 HG2 GLU A 46 -0.782 5.369 -6.851 1.00 1.97 H new ATOM 0 HG3 GLU A 46 -0.549 5.053 -8.559 1.00 1.97 H new ATOM 681 N GLU A 47 -4.882 3.177 -9.009 1.00 1.66 N ATOM 682 CA GLU A 47 -6.335 2.968 -9.096 1.00 2.09 C ATOM 683 C GLU A 47 -6.699 1.502 -9.392 1.00 1.95 C ATOM 684 O GLU A 47 -7.816 1.193 -9.817 1.00 2.43 O ATOM 685 CB GLU A 47 -6.951 3.935 -10.125 1.00 2.69 C ATOM 686 CG GLU A 47 -6.527 5.405 -9.966 1.00 4.43 C ATOM 687 CD GLU A 47 -6.798 5.964 -8.565 1.00 6.21 C ATOM 688 OE1 GLU A 47 -7.904 5.740 -8.013 1.00 6.87 O ATOM 689 OE2 GLU A 47 -5.927 6.689 -8.022 1.00 7.61 O ATOM 0 H GLU A 47 -4.471 3.458 -9.899 1.00 1.66 H new ATOM 0 HA GLU A 47 -6.764 3.191 -8.119 1.00 2.09 H new ATOM 0 HB2 GLU A 47 -6.679 3.600 -11.126 1.00 2.69 H new ATOM 0 HB3 GLU A 47 -8.037 3.875 -10.053 1.00 2.69 H new ATOM 0 HG2 GLU A 47 -5.463 5.495 -10.187 1.00 4.43 H new ATOM 0 HG3 GLU A 47 -7.058 6.011 -10.701 1.00 4.43 H new ATOM 696 N HIS A 48 -5.735 0.599 -9.186 1.00 1.66 N ATOM 697 CA HIS A 48 -5.802 -0.840 -9.456 1.00 1.60 C ATOM 698 C HIS A 48 -5.177 -1.697 -8.332 1.00 1.18 C ATOM 699 O HIS A 48 -5.115 -2.922 -8.458 1.00 1.31 O ATOM 700 CB HIS A 48 -5.109 -1.090 -10.800 1.00 1.89 C ATOM 701 CG HIS A 48 -5.739 -0.347 -11.950 1.00 2.51 C ATOM 702 ND1 HIS A 48 -5.238 0.779 -12.567 1.00 3.12 N ATOM 703 CD2 HIS A 48 -6.915 -0.664 -12.574 1.00 3.02 C ATOM 704 CE1 HIS A 48 -6.072 1.110 -13.564 1.00 3.54 C ATOM 705 NE2 HIS A 48 -7.099 0.244 -13.623 1.00 3.47 N ATOM 0 H HIS A 48 -4.830 0.871 -8.802 1.00 1.66 H new ATOM 0 HA HIS A 48 -6.847 -1.146 -9.496 1.00 1.60 H new ATOM 0 HB2 HIS A 48 -4.062 -0.798 -10.719 1.00 1.89 H new ATOM 0 HB3 HIS A 48 -5.126 -2.158 -11.015 1.00 1.89 H new ATOM 0 HD2 HIS A 48 -7.581 -1.470 -12.305 1.00 3.02 H new ATOM 0 HE1 HIS A 48 -5.938 1.953 -14.226 1.00 3.54 H new ATOM 0 HE2 HIS A 48 -7.862 0.248 -14.300 1.00 3.47 H new ATOM 713 N CYS A 49 -4.731 -1.051 -7.245 1.00 0.86 N ATOM 714 CA CYS A 49 -4.070 -1.639 -6.075 1.00 0.55 C ATOM 715 C CYS A 49 -4.879 -1.420 -4.776 1.00 0.51 C ATOM 716 O CYS A 49 -4.300 -1.221 -3.706 1.00 0.43 O ATOM 717 CB CYS A 49 -2.634 -1.087 -5.992 1.00 0.41 C ATOM 718 SG CYS A 49 -1.494 -1.806 -7.200 1.00 0.40 S ATOM 0 H CYS A 49 -4.829 -0.040 -7.156 1.00 0.86 H new ATOM 0 HA CYS A 49 -4.020 -2.722 -6.191 1.00 0.55 H new ATOM 0 HB2 CYS A 49 -2.663 -0.007 -6.134 1.00 0.41 H new ATOM 0 HB3 CYS A 49 -2.245 -1.266 -4.990 1.00 0.41 H new ATOM 723 N GLY A 50 -6.215 -1.447 -4.845 1.00 0.58 N ATOM 724 CA GLY A 50 -7.116 -1.225 -3.705 1.00 0.51 C ATOM 725 C GLY A 50 -6.853 -2.117 -2.480 1.00 0.37 C ATOM 726 O GLY A 50 -7.014 -1.651 -1.351 1.00 0.41 O ATOM 0 H GLY A 50 -6.713 -1.628 -5.716 1.00 0.58 H new ATOM 0 HA2 GLY A 50 -7.038 -0.182 -3.398 1.00 0.51 H new ATOM 0 HA3 GLY A 50 -8.142 -1.384 -4.037 1.00 0.51 H new ATOM 730 N HIS A 51 -6.350 -3.346 -2.672 1.00 0.43 N ATOM 731 CA HIS A 51 -5.888 -4.225 -1.582 1.00 0.56 C ATOM 732 C HIS A 51 -4.681 -3.658 -0.808 1.00 0.44 C ATOM 733 O HIS A 51 -4.539 -3.884 0.396 1.00 0.47 O ATOM 734 CB HIS A 51 -5.443 -5.572 -2.166 1.00 1.10 C ATOM 735 CG HIS A 51 -6.492 -6.432 -2.817 1.00 1.89 C ATOM 736 ND1 HIS A 51 -7.849 -6.212 -2.914 1.00 2.58 N ATOM 737 CD2 HIS A 51 -6.232 -7.632 -3.416 1.00 3.17 C ATOM 738 CE1 HIS A 51 -8.391 -7.261 -3.559 1.00 3.48 C ATOM 739 NE2 HIS A 51 -7.438 -8.148 -3.905 1.00 3.89 N ATOM 0 H HIS A 51 -6.251 -3.764 -3.597 1.00 0.43 H new ATOM 0 HA HIS A 51 -6.730 -4.320 -0.897 1.00 0.56 H new ATOM 0 HB2 HIS A 51 -4.664 -5.377 -2.903 1.00 1.10 H new ATOM 0 HB3 HIS A 51 -4.985 -6.151 -1.364 1.00 1.10 H new ATOM 0 HD2 HIS A 51 -5.263 -8.102 -3.498 1.00 3.17 H new ATOM 0 HE1 HIS A 51 -9.444 -7.376 -3.770 1.00 3.48 H new ATOM 0 HE2 HIS A 51 -7.569 -9.019 -4.419 1.00 3.89 H new ATOM 747 N LEU A 52 -3.793 -2.940 -1.503 1.00 0.58 N ATOM 748 CA LEU A 52 -2.588 -2.330 -0.943 1.00 0.64 C ATOM 749 C LEU A 52 -2.938 -1.038 -0.192 1.00 0.57 C ATOM 750 O LEU A 52 -2.394 -0.776 0.883 1.00 0.57 O ATOM 751 CB LEU A 52 -1.580 -2.070 -2.087 1.00 0.87 C ATOM 752 CG LEU A 52 -0.123 -2.481 -1.803 1.00 0.92 C ATOM 753 CD1 LEU A 52 0.373 -2.015 -0.434 1.00 0.96 C ATOM 754 CD2 LEU A 52 0.054 -3.995 -1.910 1.00 1.17 C ATOM 0 H LEU A 52 -3.899 -2.763 -2.502 1.00 0.58 H new ATOM 0 HA LEU A 52 -2.131 -3.006 -0.220 1.00 0.64 H new ATOM 0 HB2 LEU A 52 -1.921 -2.603 -2.975 1.00 0.87 H new ATOM 0 HB3 LEU A 52 -1.598 -1.007 -2.327 1.00 0.87 H new ATOM 0 HG LEU A 52 0.478 -1.983 -2.564 1.00 0.92 H new ATOM 0 HD11 LEU A 52 1.405 -2.335 -0.293 1.00 0.96 H new ATOM 0 HD12 LEU A 52 0.319 -0.928 -0.378 1.00 0.96 H new ATOM 0 HD13 LEU A 52 -0.251 -2.450 0.347 1.00 0.96 H new ATOM 0 HD21 LEU A 52 1.092 -4.255 -1.704 1.00 1.17 H new ATOM 0 HD22 LEU A 52 -0.594 -4.489 -1.186 1.00 1.17 H new ATOM 0 HD23 LEU A 52 -0.210 -4.322 -2.916 1.00 1.17 H new ATOM 766 N ILE A 53 -3.896 -0.266 -0.727 1.00 0.61 N ATOM 767 CA ILE A 53 -4.513 0.859 -0.012 1.00 0.77 C ATOM 768 C ILE A 53 -5.186 0.344 1.266 1.00 0.68 C ATOM 769 O ILE A 53 -4.963 0.924 2.324 1.00 0.83 O ATOM 770 CB ILE A 53 -5.463 1.683 -0.919 1.00 1.00 C ATOM 771 CG1 ILE A 53 -4.710 2.649 -1.869 1.00 1.47 C ATOM 772 CG2 ILE A 53 -6.406 2.567 -0.078 1.00 1.37 C ATOM 773 CD1 ILE A 53 -3.834 2.007 -2.951 1.00 1.46 C ATOM 0 H ILE A 53 -4.264 -0.405 -1.668 1.00 0.61 H new ATOM 0 HA ILE A 53 -3.734 1.562 0.282 1.00 0.77 H new ATOM 0 HB ILE A 53 -6.008 0.938 -1.499 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -5.446 3.285 -2.360 1.00 1.47 H new ATOM 0 HG13 ILE A 53 -4.080 3.300 -1.263 1.00 1.47 H new ATOM 0 HG21 ILE A 53 -7.061 3.133 -0.740 1.00 1.37 H new ATOM 0 HG22 ILE A 53 -7.009 1.937 0.576 1.00 1.37 H new ATOM 0 HG23 ILE A 53 -5.816 3.257 0.526 1.00 1.37 H new ATOM 0 HD11 ILE A 53 -3.363 2.788 -3.548 1.00 1.46 H new ATOM 0 HD12 ILE A 53 -3.064 1.395 -2.480 1.00 1.46 H new ATOM 0 HD13 ILE A 53 -4.452 1.381 -3.595 1.00 1.46 H new ATOM 785 N GLU A 54 -5.920 -0.776 1.204 1.00 0.57 N ATOM 786 CA GLU A 54 -6.558 -1.381 2.383 1.00 0.72 C ATOM 787 C GLU A 54 -5.523 -1.748 3.454 1.00 0.61 C ATOM 788 O GLU A 54 -5.660 -1.377 4.623 1.00 0.73 O ATOM 789 CB GLU A 54 -7.409 -2.605 1.992 1.00 0.87 C ATOM 790 CG GLU A 54 -8.356 -2.985 3.137 1.00 1.02 C ATOM 791 CD GLU A 54 -9.075 -4.306 2.865 1.00 1.45 C ATOM 792 OE1 GLU A 54 -10.062 -4.348 2.088 1.00 1.61 O ATOM 793 OE2 GLU A 54 -8.665 -5.339 3.447 1.00 2.68 O ATOM 0 H GLU A 54 -6.088 -1.287 0.338 1.00 0.57 H new ATOM 0 HA GLU A 54 -7.226 -0.634 2.812 1.00 0.72 H new ATOM 0 HB2 GLU A 54 -7.985 -2.384 1.093 1.00 0.87 H new ATOM 0 HB3 GLU A 54 -6.759 -3.447 1.754 1.00 0.87 H new ATOM 0 HG2 GLU A 54 -7.790 -3.064 4.065 1.00 1.02 H new ATOM 0 HG3 GLU A 54 -9.092 -2.193 3.278 1.00 1.02 H new ATOM 800 N ALA A 55 -4.440 -2.400 3.032 1.00 0.44 N ATOM 801 CA ALA A 55 -3.359 -2.798 3.920 1.00 0.45 C ATOM 802 C ALA A 55 -2.688 -1.596 4.607 1.00 0.42 C ATOM 803 O ALA A 55 -2.475 -1.645 5.822 1.00 0.50 O ATOM 804 CB ALA A 55 -2.366 -3.647 3.127 1.00 0.58 C ATOM 0 H ALA A 55 -4.291 -2.666 2.059 1.00 0.44 H new ATOM 0 HA ALA A 55 -3.768 -3.394 4.735 1.00 0.45 H new ATOM 0 HB1 ALA A 55 -1.548 -3.954 3.779 1.00 0.58 H new ATOM 0 HB2 ALA A 55 -2.872 -4.531 2.739 1.00 0.58 H new ATOM 0 HB3 ALA A 55 -1.969 -3.062 2.297 1.00 0.58 H new ATOM 810 N HIS A 56 -2.388 -0.505 3.887 1.00 0.53 N ATOM 811 CA HIS A 56 -1.720 0.656 4.462 1.00 0.73 C ATOM 812 C HIS A 56 -2.653 1.587 5.264 1.00 0.73 C ATOM 813 O HIS A 56 -2.242 2.124 6.299 1.00 0.81 O ATOM 814 CB HIS A 56 -0.882 1.324 3.366 1.00 0.85 C ATOM 815 CG HIS A 56 -1.526 2.314 2.429 1.00 1.51 C ATOM 816 ND1 HIS A 56 -2.027 3.562 2.735 1.00 1.83 N ATOM 817 CD2 HIS A 56 -1.442 2.252 1.068 1.00 3.37 C ATOM 818 CE1 HIS A 56 -2.276 4.211 1.587 1.00 3.14 C ATOM 819 NE2 HIS A 56 -1.912 3.459 0.533 1.00 4.31 N ATOM 0 H HIS A 56 -2.603 -0.409 2.895 1.00 0.53 H new ATOM 0 HA HIS A 56 -1.034 0.334 5.245 1.00 0.73 H new ATOM 0 HB2 HIS A 56 -0.052 1.833 3.856 1.00 0.85 H new ATOM 0 HB3 HIS A 56 -0.453 0.530 2.755 1.00 0.85 H new ATOM 0 HD1 HIS A 56 -2.182 3.929 3.674 1.00 1.83 H new ATOM 0 HD2 HIS A 56 -1.074 1.412 0.498 1.00 3.37 H new ATOM 0 HE1 HIS A 56 -2.708 5.198 1.519 1.00 3.14 H new ATOM 827 N LYS A 57 -3.940 1.702 4.895 1.00 0.76 N ATOM 828 CA LYS A 57 -4.922 2.438 5.715 1.00 0.95 C ATOM 829 C LYS A 57 -5.227 1.723 7.033 1.00 0.92 C ATOM 830 O LYS A 57 -5.254 2.369 8.076 1.00 1.04 O ATOM 831 CB LYS A 57 -6.173 2.829 4.905 1.00 1.09 C ATOM 832 CG LYS A 57 -7.173 1.702 4.612 1.00 1.05 C ATOM 833 CD LYS A 57 -8.351 2.216 3.766 1.00 1.30 C ATOM 834 CE LYS A 57 -9.249 1.048 3.348 1.00 2.81 C ATOM 835 NZ LYS A 57 -10.527 1.495 2.757 1.00 2.91 N ATOM 0 H LYS A 57 -4.324 1.298 4.041 1.00 0.76 H new ATOM 0 HA LYS A 57 -4.463 3.383 6.007 1.00 0.95 H new ATOM 0 HB2 LYS A 57 -6.696 3.619 5.444 1.00 1.09 H new ATOM 0 HB3 LYS A 57 -5.847 3.253 3.955 1.00 1.09 H new ATOM 0 HG2 LYS A 57 -6.669 0.892 4.086 1.00 1.05 H new ATOM 0 HG3 LYS A 57 -7.546 1.290 5.549 1.00 1.05 H new ATOM 0 HD2 LYS A 57 -8.929 2.943 4.337 1.00 1.30 H new ATOM 0 HD3 LYS A 57 -7.976 2.731 2.882 1.00 1.30 H new ATOM 0 HE2 LYS A 57 -8.718 0.426 2.627 1.00 2.81 H new ATOM 0 HE3 LYS A 57 -9.454 0.423 4.217 1.00 2.81 H new ATOM 0 HZ1 LYS A 57 -11.096 0.666 2.492 1.00 2.91 H new ATOM 0 HZ2 LYS A 57 -11.050 2.066 3.452 1.00 2.91 H new ATOM 0 HZ3 LYS A 57 -10.336 2.069 1.911 1.00 2.91 H new ATOM 849 N GLU A 58 -5.337 0.392 7.028 1.00 0.81 N ATOM 850 CA GLU A 58 -5.459 -0.399 8.267 1.00 0.85 C ATOM 851 C GLU A 58 -4.128 -0.472 9.056 1.00 0.79 C ATOM 852 O GLU A 58 -4.135 -0.482 10.293 1.00 0.96 O ATOM 853 CB GLU A 58 -6.064 -1.786 7.970 1.00 0.95 C ATOM 854 CG GLU A 58 -7.537 -1.676 7.521 1.00 1.07 C ATOM 855 CD GLU A 58 -8.257 -3.022 7.326 1.00 1.30 C ATOM 856 OE1 GLU A 58 -7.616 -4.100 7.255 1.00 2.00 O ATOM 857 OE2 GLU A 58 -9.512 -3.032 7.251 1.00 2.23 O ATOM 0 H GLU A 58 -5.345 -0.169 6.176 1.00 0.81 H new ATOM 0 HA GLU A 58 -6.153 0.119 8.928 1.00 0.85 H new ATOM 0 HB2 GLU A 58 -5.481 -2.279 7.192 1.00 0.95 H new ATOM 0 HB3 GLU A 58 -6.000 -2.411 8.861 1.00 0.95 H new ATOM 0 HG2 GLU A 58 -8.084 -1.092 8.260 1.00 1.07 H new ATOM 0 HG3 GLU A 58 -7.575 -1.121 6.584 1.00 1.07 H new ATOM 864 N SER A 59 -2.973 -0.396 8.381 1.00 0.61 N ATOM 865 CA SER A 59 -1.666 -0.222 9.046 1.00 0.64 C ATOM 866 C SER A 59 -1.582 1.090 9.825 1.00 0.81 C ATOM 867 O SER A 59 -1.025 1.102 10.919 1.00 0.87 O ATOM 868 CB SER A 59 -0.505 -0.224 8.052 1.00 0.76 C ATOM 869 OG SER A 59 -0.337 -1.496 7.462 1.00 1.61 O ATOM 0 H SER A 59 -2.914 -0.453 7.364 1.00 0.61 H new ATOM 0 HA SER A 59 -1.585 -1.071 9.725 1.00 0.64 H new ATOM 0 HB2 SER A 59 -0.687 0.518 7.275 1.00 0.76 H new ATOM 0 HB3 SER A 59 0.413 0.067 8.562 1.00 0.76 H new ATOM 0 HG SER A 59 -1.015 -1.626 6.767 1.00 1.61 H new ATOM 875 N MET A 60 -2.153 2.185 9.309 1.00 1.03 N ATOM 876 CA MET A 60 -2.231 3.455 10.050 1.00 1.36 C ATOM 877 C MET A 60 -3.453 3.558 10.976 1.00 1.50 C ATOM 878 O MET A 60 -3.408 4.317 11.946 1.00 1.72 O ATOM 879 CB MET A 60 -2.058 4.651 9.103 1.00 1.53 C ATOM 880 CG MET A 60 -0.584 5.047 8.960 1.00 1.70 C ATOM 881 SD MET A 60 0.563 3.724 8.473 1.00 1.83 S ATOM 882 CE MET A 60 2.143 4.524 8.856 1.00 2.57 C ATOM 0 H MET A 60 -2.570 2.219 8.379 1.00 1.03 H new ATOM 0 HA MET A 60 -1.389 3.477 10.742 1.00 1.36 H new ATOM 0 HB2 MET A 60 -2.466 4.402 8.123 1.00 1.53 H new ATOM 0 HB3 MET A 60 -2.629 5.500 9.479 1.00 1.53 H new ATOM 0 HG2 MET A 60 -0.515 5.848 8.224 1.00 1.70 H new ATOM 0 HG3 MET A 60 -0.247 5.459 9.911 1.00 1.70 H new ATOM 0 HE1 MET A 60 2.962 3.846 8.615 1.00 2.57 H new ATOM 0 HE2 MET A 60 2.242 5.436 8.267 1.00 2.57 H new ATOM 0 HE3 MET A 60 2.177 4.772 9.917 1.00 2.57 H new ATOM 892 N ARG A 61 -4.484 2.715 10.804 1.00 1.45 N ATOM 893 CA ARG A 61 -5.480 2.443 11.860 1.00 1.70 C ATOM 894 C ARG A 61 -4.830 1.808 13.088 1.00 1.59 C ATOM 895 O ARG A 61 -5.215 2.154 14.206 1.00 1.86 O ATOM 896 CB ARG A 61 -6.599 1.554 11.298 1.00 1.81 C ATOM 897 CG ARG A 61 -7.794 1.416 12.249 1.00 2.09 C ATOM 898 CD ARG A 61 -8.900 0.578 11.594 1.00 2.44 C ATOM 899 NE ARG A 61 -9.956 0.232 12.559 1.00 2.80 N ATOM 900 CZ ARG A 61 -11.115 0.889 12.749 1.00 3.89 C ATOM 901 NH1 ARG A 61 -11.445 1.975 12.034 1.00 5.01 N ATOM 902 NH2 ARG A 61 -11.967 0.443 13.682 1.00 4.86 N ATOM 0 H ARG A 61 -4.652 2.205 9.937 1.00 1.45 H new ATOM 0 HA ARG A 61 -5.913 3.389 12.184 1.00 1.70 H new ATOM 0 HB2 ARG A 61 -6.943 1.969 10.350 1.00 1.81 H new ATOM 0 HB3 ARG A 61 -6.196 0.564 11.085 1.00 1.81 H new ATOM 0 HG2 ARG A 61 -7.475 0.946 13.179 1.00 2.09 H new ATOM 0 HG3 ARG A 61 -8.179 2.403 12.506 1.00 2.09 H new ATOM 0 HD2 ARG A 61 -9.333 1.132 10.762 1.00 2.44 H new ATOM 0 HD3 ARG A 61 -8.470 -0.334 11.180 1.00 2.44 H new ATOM 0 HE ARG A 61 -9.793 -0.588 13.143 1.00 2.80 H new ATOM 0 HH11 ARG A 61 -10.809 2.328 11.319 1.00 5.01 H new ATOM 0 HH12 ARG A 61 -12.332 2.448 12.205 1.00 5.01 H new ATOM 0 HH21 ARG A 61 -11.732 -0.382 14.234 1.00 4.86 H new ATOM 0 HH22 ARG A 61 -12.850 0.928 13.840 1.00 4.86 H new ATOM 916 N ALA A 62 -3.771 1.011 12.906 1.00 1.21 N ATOM 917 CA ALA A 62 -2.929 0.562 14.023 1.00 1.09 C ATOM 918 C ALA A 62 -2.240 1.706 14.807 1.00 1.18 C ATOM 919 O ALA A 62 -1.849 1.482 15.957 1.00 1.23 O ATOM 920 CB ALA A 62 -1.913 -0.485 13.556 1.00 0.94 C ATOM 0 H ALA A 62 -3.475 0.663 11.994 1.00 1.21 H new ATOM 0 HA ALA A 62 -3.612 0.101 14.737 1.00 1.09 H new ATOM 0 HB1 ALA A 62 -1.302 -0.801 14.401 1.00 0.94 H new ATOM 0 HB2 ALA A 62 -2.440 -1.347 13.147 1.00 0.94 H new ATOM 0 HB3 ALA A 62 -1.273 -0.053 12.787 1.00 0.94 H new ATOM 926 N LEU A 63 -2.136 2.926 14.252 1.00 1.42 N ATOM 927 CA LEU A 63 -1.650 4.117 14.974 1.00 1.81 C ATOM 928 C LEU A 63 -2.790 5.045 15.452 1.00 2.20 C ATOM 929 O LEU A 63 -2.554 5.955 16.254 1.00 2.56 O ATOM 930 CB LEU A 63 -0.606 4.882 14.134 1.00 1.93 C ATOM 931 CG LEU A 63 0.779 4.228 13.942 1.00 1.88 C ATOM 932 CD1 LEU A 63 1.336 3.550 15.198 1.00 2.11 C ATOM 933 CD2 LEU A 63 0.770 3.189 12.829 1.00 1.54 C ATOM 0 H LEU A 63 -2.389 3.116 13.282 1.00 1.42 H new ATOM 0 HA LEU A 63 -1.162 3.756 15.879 1.00 1.81 H new ATOM 0 HB2 LEU A 63 -1.034 5.058 13.147 1.00 1.93 H new ATOM 0 HB3 LEU A 63 -0.455 5.858 14.595 1.00 1.93 H new ATOM 0 HG LEU A 63 1.425 5.068 13.687 1.00 1.88 H new ATOM 0 HD11 LEU A 63 2.311 3.117 14.976 1.00 2.11 H new ATOM 0 HD12 LEU A 63 1.440 4.287 15.994 1.00 2.11 H new ATOM 0 HD13 LEU A 63 0.654 2.763 15.519 1.00 2.11 H new ATOM 0 HD21 LEU A 63 1.765 2.755 12.729 1.00 1.54 H new ATOM 0 HD22 LEU A 63 0.054 2.404 13.070 1.00 1.54 H new ATOM 0 HD23 LEU A 63 0.485 3.664 11.890 1.00 1.54 H new ATOM 945 N GLY A 64 -4.023 4.801 14.993 1.00 2.23 N ATOM 946 CA GLY A 64 -5.248 5.485 15.419 1.00 2.70 C ATOM 947 C GLY A 64 -5.501 6.857 14.784 1.00 3.05 C ATOM 948 O GLY A 64 -6.327 7.603 15.309 1.00 3.42 O ATOM 0 H GLY A 64 -4.201 4.090 14.283 1.00 2.23 H new ATOM 0 HA2 GLY A 64 -6.098 4.840 15.196 1.00 2.70 H new ATOM 0 HA3 GLY A 64 -5.216 5.607 16.502 1.00 2.70 H new ATOM 952 N PHE A 65 -4.808 7.204 13.688 1.00 3.01 N ATOM 953 CA PHE A 65 -4.860 8.542 13.069 1.00 3.30 C ATOM 954 C PHE A 65 -5.195 8.577 11.566 1.00 3.10 C ATOM 955 O PHE A 65 -4.829 9.530 10.871 1.00 3.29 O ATOM 956 CB PHE A 65 -3.601 9.339 13.458 1.00 3.51 C ATOM 957 CG PHE A 65 -2.209 8.773 13.164 1.00 3.22 C ATOM 958 CD1 PHE A 65 -1.833 8.287 11.891 1.00 3.29 C ATOM 959 CD2 PHE A 65 -1.228 8.846 14.176 1.00 3.55 C ATOM 960 CE1 PHE A 65 -0.501 7.912 11.636 1.00 3.12 C ATOM 961 CE2 PHE A 65 0.100 8.455 13.924 1.00 3.52 C ATOM 962 CZ PHE A 65 0.467 7.991 12.652 1.00 3.01 C ATOM 0 H PHE A 65 -4.188 6.558 13.200 1.00 3.01 H new ATOM 0 HA PHE A 65 -5.732 9.046 13.486 1.00 3.30 H new ATOM 0 HB2 PHE A 65 -3.667 10.308 12.964 1.00 3.51 H new ATOM 0 HB3 PHE A 65 -3.654 9.524 14.531 1.00 3.51 H new ATOM 0 HD1 PHE A 65 -2.573 8.203 11.109 1.00 3.29 H new ATOM 0 HD2 PHE A 65 -1.500 9.207 15.157 1.00 3.55 H new ATOM 0 HE1 PHE A 65 -0.221 7.561 10.654 1.00 3.12 H new ATOM 0 HE2 PHE A 65 0.838 8.512 14.711 1.00 3.52 H new ATOM 0 HZ PHE A 65 1.487 7.696 12.455 1.00 3.01 H new ATOM 972 N LYS A 66 -5.883 7.556 11.039 1.00 2.81 N ATOM 973 CA LYS A 66 -6.181 7.413 9.597 1.00 2.57 C ATOM 974 C LYS A 66 -7.657 7.144 9.282 1.00 2.87 C ATOM 975 O LYS A 66 -8.236 7.917 8.521 1.00 3.15 O ATOM 976 CB LYS A 66 -5.214 6.369 9.015 1.00 1.99 C ATOM 977 CG LYS A 66 -5.436 5.913 7.559 1.00 1.91 C ATOM 978 CD LYS A 66 -5.128 6.933 6.447 1.00 2.12 C ATOM 979 CE LYS A 66 -6.251 7.946 6.194 1.00 2.52 C ATOM 980 NZ LYS A 66 -6.047 8.690 4.928 1.00 2.73 N ATOM 0 H LYS A 66 -6.256 6.793 11.604 1.00 2.81 H new ATOM 0 HA LYS A 66 -6.014 8.370 9.103 1.00 2.57 H new ATOM 0 HB2 LYS A 66 -4.204 6.771 9.089 1.00 1.99 H new ATOM 0 HB3 LYS A 66 -5.253 5.485 9.652 1.00 1.99 H new ATOM 0 HG2 LYS A 66 -4.823 5.028 7.385 1.00 1.91 H new ATOM 0 HG3 LYS A 66 -6.477 5.605 7.456 1.00 1.91 H new ATOM 0 HD2 LYS A 66 -4.218 7.474 6.707 1.00 2.12 H new ATOM 0 HD3 LYS A 66 -4.925 6.394 5.522 1.00 2.12 H new ATOM 0 HE2 LYS A 66 -7.208 7.426 6.160 1.00 2.52 H new ATOM 0 HE3 LYS A 66 -6.300 8.650 7.025 1.00 2.52 H new ATOM 0 HZ1 LYS A 66 -6.827 9.365 4.792 1.00 2.73 H new ATOM 0 HZ2 LYS A 66 -5.145 9.207 4.970 1.00 2.73 H new ATOM 0 HZ3 LYS A 66 -6.026 8.021 4.132 1.00 2.73 H new ATOM 994 N ILE A 67 -8.253 6.089 9.844 1.00 3.03 N ATOM 995 CA ILE A 67 -9.659 5.663 9.637 1.00 3.43 C ATOM 996 C ILE A 67 -10.323 5.162 10.918 1.00 3.98 C ATOM 997 O ILE A 67 -11.529 5.440 11.098 1.00 4.61 O ATOM 998 CB ILE A 67 -9.795 4.613 8.506 1.00 3.26 C ATOM 999 CG1 ILE A 67 -8.754 3.482 8.622 1.00 2.93 C ATOM 1000 CG2 ILE A 67 -9.725 5.293 7.130 1.00 3.18 C ATOM 1001 CD1 ILE A 67 -9.150 2.205 7.875 1.00 3.01 C ATOM 1002 OXT ILE A 67 -9.655 4.494 11.741 1.00 4.43 O ATOM 0 H ILE A 67 -7.754 5.474 10.487 1.00 3.03 H new ATOM 0 HA ILE A 67 -10.191 6.562 9.326 1.00 3.43 H new ATOM 0 HB ILE A 67 -10.773 4.145 8.615 1.00 3.26 H new ATOM 0 HG12 ILE A 67 -7.799 3.838 8.235 1.00 2.93 H new ATOM 0 HG13 ILE A 67 -8.603 3.245 9.675 1.00 2.93 H new ATOM 0 HG21 ILE A 67 -9.822 4.541 6.347 1.00 3.18 H new ATOM 0 HG22 ILE A 67 -10.535 6.017 7.040 1.00 3.18 H new ATOM 0 HG23 ILE A 67 -8.768 5.804 7.025 1.00 3.18 H new ATOM 0 HD11 ILE A 67 -8.371 1.453 8.001 1.00 3.01 H new ATOM 0 HD12 ILE A 67 -10.089 1.825 8.277 1.00 3.01 H new ATOM 0 HD13 ILE A 67 -9.272 2.427 6.815 1.00 3.01 H new TER 1014 ILE A 67