USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.5) USER MOD Set 1.2: A 70 TYR OH : rot 1:sc= 0.069 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -131:sc= -0.0582 (180deg=-0.373) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= 0.506 (180deg=-0.523!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.761 K(o=0.76,f=-0.11) USER MOD Single : A 32 TYR OH : rot -38:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= -0.0101 (180deg=-0.0901) USER MOD Single : A 46 HIS : no HE2:sc= -0.158 X(o=-0.16,f=-0.17) USER MOD Single : A 50 MET CE :methyl 166:sc= -1.52 (180deg=-2.26!) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.0194 (180deg=-0.249) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 178:sc= -0.0103 (180deg=-0.019) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.766! C(o=-0.77!,f=-14!) USER MOD Single : A 82 MET CE :methyl 173:sc= 0 (180deg=-0.0622) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.287 8.538 1.792 1.00 42.35 N ATOM 2 CA GLY A 1 -18.641 7.958 0.492 1.00 44.15 C ATOM 3 C GLY A 1 -17.604 6.945 0.047 1.00 32.53 C ATOM 4 O GLY A 1 -16.817 7.255 -0.842 1.00 45.01 O ATOM 0 H1 GLY A 1 -19.013 9.228 2.074 1.00 42.35 H new ATOM 0 H2 GLY A 1 -18.231 7.783 2.505 1.00 42.35 H new ATOM 0 H3 GLY A 1 -17.366 9.015 1.720 1.00 42.35 H new ATOM 0 HA2 GLY A 1 -19.618 7.479 0.558 1.00 44.15 H new ATOM 0 HA3 GLY A 1 -18.724 8.750 -0.253 1.00 44.15 H new ATOM 8 N MET A 2 -17.617 5.738 0.629 1.00 31.30 N ATOM 9 CA MET A 2 -16.796 4.560 0.303 1.00 72.11 C ATOM 10 C MET A 2 -15.274 4.695 0.469 1.00 52.45 C ATOM 11 O MET A 2 -14.595 3.671 0.567 1.00 45.15 O ATOM 12 CB MET A 2 -17.153 4.030 -1.100 1.00 65.12 C ATOM 13 CG MET A 2 -18.499 3.300 -1.109 1.00 22.34 C ATOM 14 SD MET A 2 -18.475 1.737 -0.179 1.00 50.15 S ATOM 15 CE MET A 2 -20.194 1.212 -0.426 1.00 43.15 C ATOM 0 H MET A 2 -18.253 5.543 1.402 1.00 31.30 H new ATOM 0 HA MET A 2 -17.063 3.837 1.074 1.00 72.11 H new ATOM 0 HB2 MET A 2 -17.186 4.861 -1.804 1.00 65.12 H new ATOM 0 HB3 MET A 2 -16.370 3.353 -1.442 1.00 65.12 H new ATOM 0 HG2 MET A 2 -19.262 3.954 -0.687 1.00 22.34 H new ATOM 0 HG3 MET A 2 -18.788 3.097 -2.140 1.00 22.34 H new ATOM 0 HE1 MET A 2 -20.361 0.262 0.081 1.00 43.15 H new ATOM 0 HE2 MET A 2 -20.867 1.965 -0.016 1.00 43.15 H new ATOM 0 HE3 MET A 2 -20.389 1.094 -1.492 1.00 43.15 H new ATOM 25 N GLN A 3 -14.726 5.907 0.572 1.00 3.34 N ATOM 26 CA GLN A 3 -13.293 6.193 0.515 1.00 3.10 C ATOM 27 C GLN A 3 -12.454 5.367 1.491 1.00 30.12 C ATOM 28 O GLN A 3 -11.335 5.026 1.164 1.00 51.21 O ATOM 29 CB GLN A 3 -13.099 7.691 0.785 1.00 63.23 C ATOM 30 CG GLN A 3 -11.677 8.204 0.520 1.00 2.21 C ATOM 31 CD GLN A 3 -11.535 9.689 0.842 1.00 31.10 C ATOM 32 OE1 GLN A 3 -12.333 10.253 1.585 1.00 24.21 O ATOM 33 NE2 GLN A 3 -10.557 10.364 0.283 1.00 3.33 N ATOM 0 H GLN A 3 -15.290 6.747 0.702 1.00 3.34 H new ATOM 0 HA GLN A 3 -12.938 5.913 -0.477 1.00 3.10 H new ATOM 0 HB2 GLN A 3 -13.797 8.253 0.164 1.00 63.23 H new ATOM 0 HB3 GLN A 3 -13.359 7.897 1.823 1.00 63.23 H new ATOM 0 HG2 GLN A 3 -10.968 7.634 1.120 1.00 2.21 H new ATOM 0 HG3 GLN A 3 -11.419 8.034 -0.525 1.00 2.21 H new ATOM 0 HE21 GLN A 3 -9.897 9.890 -0.333 1.00 3.33 H new ATOM 0 HE22 GLN A 3 -10.457 11.363 0.465 1.00 3.33 H new ATOM 42 N PHE A 4 -13.009 5.025 2.645 1.00 20.53 N ATOM 43 CA PHE A 4 -12.511 4.332 3.833 1.00 20.10 C ATOM 44 C PHE A 4 -12.418 2.832 3.605 1.00 4.21 C ATOM 45 O PHE A 4 -11.525 2.146 4.100 1.00 14.31 O ATOM 46 CB PHE A 4 -13.536 4.527 4.943 1.00 41.21 C ATOM 47 CG PHE A 4 -13.066 5.471 6.007 1.00 60.52 C ATOM 48 CD1 PHE A 4 -13.068 6.854 5.774 1.00 75.21 C ATOM 49 CD2 PHE A 4 -12.554 4.960 7.206 1.00 51.24 C ATOM 50 CE1 PHE A 4 -12.634 7.731 6.773 1.00 13.21 C ATOM 51 CE2 PHE A 4 -12.082 5.839 8.187 1.00 43.23 C ATOM 52 CZ PHE A 4 -12.142 7.231 7.991 1.00 64.54 C ATOM 0 H PHE A 4 -13.988 5.270 2.794 1.00 20.53 H new ATOM 0 HA PHE A 4 -11.526 4.730 4.075 1.00 20.10 H new ATOM 0 HB2 PHE A 4 -14.464 4.904 4.513 1.00 41.21 H new ATOM 0 HB3 PHE A 4 -13.764 3.562 5.395 1.00 41.21 H new ATOM 0 HD1 PHE A 4 -13.404 7.241 4.824 1.00 75.21 H new ATOM 0 HD2 PHE A 4 -12.524 3.893 7.373 1.00 51.24 H new ATOM 0 HE1 PHE A 4 -12.677 8.797 6.608 1.00 13.21 H new ATOM 0 HE2 PHE A 4 -11.668 5.445 9.103 1.00 43.23 H new ATOM 0 HZ PHE A 4 -11.814 7.907 8.767 1.00 64.54 H new ATOM 62 N LYS A 5 -13.419 2.279 2.915 1.00 24.32 N ATOM 63 CA LYS A 5 -13.423 0.862 2.576 1.00 52.14 C ATOM 64 C LYS A 5 -12.236 0.641 1.657 1.00 32.40 C ATOM 65 O LYS A 5 -11.391 -0.206 1.927 1.00 34.44 O ATOM 66 CB LYS A 5 -14.754 0.432 1.959 1.00 22.51 C ATOM 67 CG LYS A 5 -15.860 0.448 3.024 1.00 24.24 C ATOM 68 CD LYS A 5 -16.110 -0.878 3.756 1.00 5.42 C ATOM 69 CE LYS A 5 -14.930 -1.327 4.627 1.00 42.03 C ATOM 70 NZ LYS A 5 -15.302 -2.444 5.516 1.00 5.11 N ATOM 0 H LYS A 5 -14.234 2.794 2.583 1.00 24.32 H new ATOM 0 HA LYS A 5 -13.325 0.238 3.464 1.00 52.14 H new ATOM 0 HB2 LYS A 5 -15.017 1.102 1.140 1.00 22.51 H new ATOM 0 HB3 LYS A 5 -14.661 -0.568 1.535 1.00 22.51 H new ATOM 0 HG2 LYS A 5 -15.612 1.208 3.765 1.00 24.24 H new ATOM 0 HG3 LYS A 5 -16.790 0.758 2.548 1.00 24.24 H new ATOM 0 HD2 LYS A 5 -16.996 -0.777 4.383 1.00 5.42 H new ATOM 0 HD3 LYS A 5 -16.326 -1.654 3.022 1.00 5.42 H new ATOM 0 HE2 LYS A 5 -14.101 -1.631 3.988 1.00 42.03 H new ATOM 0 HE3 LYS A 5 -14.579 -0.487 5.226 1.00 42.03 H new ATOM 0 HZ1 LYS A 5 -14.479 -2.720 6.089 1.00 5.11 H new ATOM 0 HZ2 LYS A 5 -16.076 -2.146 6.143 1.00 5.11 H new ATOM 0 HZ3 LYS A 5 -15.613 -3.255 4.943 1.00 5.11 H new ATOM 84 N ALA A 6 -12.128 1.496 0.637 1.00 70.23 N ATOM 85 CA ALA A 6 -10.951 1.583 -0.195 1.00 1.12 C ATOM 86 C ALA A 6 -9.721 1.899 0.651 1.00 44.23 C ATOM 87 O ALA A 6 -8.733 1.214 0.430 1.00 23.52 O ATOM 88 CB ALA A 6 -11.158 2.598 -1.325 1.00 21.21 C ATOM 0 H ALA A 6 -12.867 2.147 0.373 1.00 70.23 H new ATOM 0 HA ALA A 6 -10.779 0.615 -0.666 1.00 1.12 H new ATOM 0 HB1 ALA A 6 -10.259 2.647 -1.939 1.00 21.21 H new ATOM 0 HB2 ALA A 6 -12.002 2.289 -1.942 1.00 21.21 H new ATOM 0 HB3 ALA A 6 -11.360 3.581 -0.899 1.00 21.21 H new ATOM 94 N GLU A 7 -9.765 2.857 1.598 1.00 2.44 N ATOM 95 CA GLU A 7 -8.527 3.452 2.147 1.00 5.14 C ATOM 96 C GLU A 7 -7.605 2.359 2.707 1.00 53.23 C ATOM 97 O GLU A 7 -6.463 2.182 2.278 1.00 5.20 O ATOM 98 CB GLU A 7 -8.845 4.576 3.186 1.00 60.43 C ATOM 99 CG GLU A 7 -8.862 4.200 4.685 1.00 72.45 C ATOM 100 CD GLU A 7 -9.371 5.291 5.635 1.00 60.11 C ATOM 101 OE1 GLU A 7 -9.838 6.361 5.164 1.00 63.43 O ATOM 102 OE2 GLU A 7 -9.388 5.004 6.850 1.00 2.12 O ATOM 0 H GLU A 7 -10.627 3.231 1.994 1.00 2.44 H new ATOM 0 HA GLU A 7 -7.985 3.939 1.336 1.00 5.14 H new ATOM 0 HB2 GLU A 7 -8.113 5.372 3.050 1.00 60.43 H new ATOM 0 HB3 GLU A 7 -9.820 4.994 2.936 1.00 60.43 H new ATOM 0 HG2 GLU A 7 -9.483 3.314 4.812 1.00 72.45 H new ATOM 0 HG3 GLU A 7 -7.850 3.926 4.984 1.00 72.45 H new ATOM 109 N ALA A 8 -8.149 1.543 3.610 1.00 22.42 N ATOM 110 CA ALA A 8 -7.340 0.585 4.341 1.00 52.21 C ATOM 111 C ALA A 8 -6.901 -0.542 3.410 1.00 64.41 C ATOM 112 O ALA A 8 -5.770 -1.017 3.508 1.00 43.35 O ATOM 113 CB ALA A 8 -8.125 0.047 5.537 1.00 61.23 C ATOM 0 H ALA A 8 -9.141 1.531 3.847 1.00 22.42 H new ATOM 0 HA ALA A 8 -6.444 1.077 4.720 1.00 52.21 H new ATOM 0 HB1 ALA A 8 -7.512 -0.671 6.081 1.00 61.23 H new ATOM 0 HB2 ALA A 8 -8.391 0.872 6.198 1.00 61.23 H new ATOM 0 HB3 ALA A 8 -9.033 -0.443 5.186 1.00 61.23 H new ATOM 119 N ARG A 9 -7.779 -0.970 2.491 1.00 21.34 N ATOM 120 CA ARG A 9 -7.442 -1.999 1.513 1.00 4.30 C ATOM 121 C ARG A 9 -6.314 -1.480 0.609 1.00 54.44 C ATOM 122 O ARG A 9 -5.409 -2.241 0.273 1.00 43.24 O ATOM 123 CB ARG A 9 -8.707 -2.399 0.721 1.00 14.00 C ATOM 124 CG ARG A 9 -8.761 -3.846 0.185 1.00 3.02 C ATOM 125 CD ARG A 9 -7.421 -4.458 -0.230 1.00 44.41 C ATOM 126 NE ARG A 9 -7.550 -5.785 -0.851 1.00 31.42 N ATOM 127 CZ ARG A 9 -7.833 -6.938 -0.237 1.00 11.03 C ATOM 128 NH1 ARG A 9 -8.119 -6.981 1.057 1.00 30.30 N ATOM 129 NH2 ARG A 9 -7.821 -8.051 -0.950 1.00 42.12 N ATOM 0 H ARG A 9 -8.731 -0.613 2.410 1.00 21.34 H new ATOM 0 HA ARG A 9 -7.080 -2.900 2.008 1.00 4.30 H new ATOM 0 HB2 ARG A 9 -9.574 -2.241 1.362 1.00 14.00 H new ATOM 0 HB3 ARG A 9 -8.808 -1.719 -0.125 1.00 14.00 H new ATOM 0 HG2 ARG A 9 -9.206 -4.480 0.952 1.00 3.02 H new ATOM 0 HG3 ARG A 9 -9.430 -3.869 -0.675 1.00 3.02 H new ATOM 0 HD2 ARG A 9 -6.924 -3.785 -0.929 1.00 44.41 H new ATOM 0 HD3 ARG A 9 -6.779 -4.537 0.647 1.00 44.41 H new ATOM 0 HE ARG A 9 -7.408 -5.830 -1.860 1.00 31.42 H new ATOM 0 HH11 ARG A 9 -8.126 -6.122 1.607 1.00 30.30 H new ATOM 0 HH12 ARG A 9 -8.332 -7.873 1.503 1.00 30.30 H new ATOM 0 HH21 ARG A 9 -7.599 -8.017 -1.945 1.00 42.12 H new ATOM 0 HH22 ARG A 9 -8.033 -8.944 -0.505 1.00 42.12 H new ATOM 143 N ARG A 10 -6.341 -0.197 0.222 1.00 41.13 N ATOM 144 CA ARG A 10 -5.314 0.448 -0.591 1.00 72.52 C ATOM 145 C ARG A 10 -3.972 0.285 0.124 1.00 14.41 C ATOM 146 O ARG A 10 -3.083 -0.375 -0.418 1.00 41.13 O ATOM 147 CB ARG A 10 -5.673 1.931 -0.862 1.00 41.11 C ATOM 148 CG ARG A 10 -4.956 2.411 -2.140 1.00 22.44 C ATOM 149 CD ARG A 10 -4.705 3.916 -2.345 1.00 53.25 C ATOM 150 NE ARG A 10 -5.389 4.823 -1.415 1.00 42.22 N ATOM 151 CZ ARG A 10 -5.332 6.159 -1.470 1.00 52.34 C ATOM 152 NH1 ARG A 10 -4.910 6.799 -2.555 1.00 65.23 N ATOM 153 NH2 ARG A 10 -5.695 6.868 -0.416 1.00 23.53 N ATOM 0 H ARG A 10 -7.101 0.434 0.476 1.00 41.13 H new ATOM 0 HA ARG A 10 -5.248 -0.024 -1.571 1.00 72.52 H new ATOM 0 HB2 ARG A 10 -6.752 2.040 -0.975 1.00 41.11 H new ATOM 0 HB3 ARG A 10 -5.378 2.548 -0.013 1.00 41.11 H new ATOM 0 HG2 ARG A 10 -3.989 1.909 -2.181 1.00 22.44 H new ATOM 0 HG3 ARG A 10 -5.535 2.057 -2.993 1.00 22.44 H new ATOM 0 HD2 ARG A 10 -3.633 4.097 -2.272 1.00 53.25 H new ATOM 0 HD3 ARG A 10 -5.004 4.177 -3.360 1.00 53.25 H new ATOM 0 HE ARG A 10 -5.949 4.404 -0.672 1.00 42.22 H new ATOM 0 HH11 ARG A 10 -4.618 6.271 -3.377 1.00 65.23 H new ATOM 0 HH12 ARG A 10 -4.878 7.818 -2.566 1.00 65.23 H new ATOM 0 HH21 ARG A 10 -6.015 6.397 0.430 1.00 23.53 H new ATOM 0 HH22 ARG A 10 -5.655 7.887 -0.448 1.00 23.53 H new ATOM 167 N ASN A 11 -3.837 0.807 1.349 1.00 45.05 N ATOM 168 CA ASN A 11 -2.557 0.756 2.062 1.00 2.20 C ATOM 169 C ASN A 11 -2.114 -0.677 2.316 1.00 50.15 C ATOM 170 O ASN A 11 -0.936 -1.011 2.162 1.00 30.14 O ATOM 171 CB ASN A 11 -2.612 1.531 3.391 1.00 74.55 C ATOM 172 CG ASN A 11 -2.305 2.992 3.151 1.00 21.41 C ATOM 173 OD1 ASN A 11 -1.362 3.307 2.445 1.00 23.42 O ATOM 174 ND2 ASN A 11 -3.162 3.895 3.561 1.00 60.53 N ATOM 0 H ASN A 11 -4.590 1.265 1.862 1.00 45.05 H new ATOM 0 HA ASN A 11 -1.823 1.236 1.415 1.00 2.20 H new ATOM 0 HB2 ASN A 11 -3.599 1.428 3.841 1.00 74.55 H new ATOM 0 HB3 ASN A 11 -1.895 1.111 4.096 1.00 74.55 H new ATOM 0 HD21 ASN A 11 -3.043 4.871 3.290 1.00 60.53 H new ATOM 0 HD22 ASN A 11 -3.948 3.622 4.151 1.00 60.53 H new ATOM 181 N LYS A 12 -3.058 -1.549 2.679 1.00 43.44 N ATOM 182 CA LYS A 12 -2.768 -2.952 2.922 1.00 14.33 C ATOM 183 C LYS A 12 -2.150 -3.600 1.687 1.00 42.22 C ATOM 184 O LYS A 12 -1.123 -4.260 1.808 1.00 63.23 O ATOM 185 CB LYS A 12 -4.041 -3.655 3.405 1.00 74.35 C ATOM 186 CG LYS A 12 -3.757 -5.082 3.880 1.00 32.53 C ATOM 187 CD LYS A 12 -4.935 -5.612 4.696 1.00 71.22 C ATOM 188 CE LYS A 12 -4.557 -6.899 5.434 1.00 63.45 C ATOM 189 NZ LYS A 12 -5.411 -7.114 6.615 1.00 74.44 N ATOM 0 H LYS A 12 -4.038 -1.298 2.810 1.00 43.44 H new ATOM 0 HA LYS A 12 -2.022 -3.050 3.711 1.00 14.33 H new ATOM 0 HB2 LYS A 12 -4.486 -3.083 4.219 1.00 74.35 H new ATOM 0 HB3 LYS A 12 -4.772 -3.680 2.597 1.00 74.35 H new ATOM 0 HG2 LYS A 12 -3.579 -5.730 3.022 1.00 32.53 H new ATOM 0 HG3 LYS A 12 -2.850 -5.098 4.485 1.00 32.53 H new ATOM 0 HD2 LYS A 12 -5.253 -4.857 5.415 1.00 71.22 H new ATOM 0 HD3 LYS A 12 -5.782 -5.802 4.037 1.00 71.22 H new ATOM 0 HE2 LYS A 12 -4.649 -7.748 4.757 1.00 63.45 H new ATOM 0 HE3 LYS A 12 -3.513 -6.850 5.743 1.00 63.45 H new ATOM 0 HZ1 LYS A 12 -5.129 -7.994 7.092 1.00 74.44 H new ATOM 0 HZ2 LYS A 12 -5.303 -6.314 7.271 1.00 74.44 H new ATOM 0 HZ3 LYS A 12 -6.405 -7.186 6.316 1.00 74.44 H new ATOM 203 N LEU A 13 -2.721 -3.385 0.499 1.00 51.33 N ATOM 204 CA LEU A 13 -2.199 -3.968 -0.733 1.00 10.04 C ATOM 205 C LEU A 13 -0.788 -3.484 -1.037 1.00 51.31 C ATOM 206 O LEU A 13 0.025 -4.306 -1.460 1.00 23.02 O ATOM 207 CB LEU A 13 -3.111 -3.674 -1.930 1.00 71.25 C ATOM 208 CG LEU A 13 -4.357 -4.553 -1.990 1.00 31.41 C ATOM 209 CD1 LEU A 13 -5.308 -3.965 -3.047 1.00 1.41 C ATOM 210 CD2 LEU A 13 -4.006 -6.001 -2.340 1.00 41.02 C ATOM 0 H LEU A 13 -3.551 -2.807 0.367 1.00 51.33 H new ATOM 0 HA LEU A 13 -2.169 -5.046 -0.572 1.00 10.04 H new ATOM 0 HB2 LEU A 13 -3.418 -2.629 -1.892 1.00 71.25 H new ATOM 0 HB3 LEU A 13 -2.541 -3.806 -2.850 1.00 71.25 H new ATOM 0 HG LEU A 13 -4.835 -4.566 -1.011 1.00 31.41 H new ATOM 0 HD11 LEU A 13 -6.208 -4.578 -3.108 1.00 1.41 H new ATOM 0 HD12 LEU A 13 -5.580 -2.948 -2.766 1.00 1.41 H new ATOM 0 HD13 LEU A 13 -4.811 -3.953 -4.017 1.00 1.41 H new ATOM 0 HD21 LEU A 13 -4.917 -6.598 -2.374 1.00 41.02 H new ATOM 0 HD22 LEU A 13 -3.516 -6.032 -3.313 1.00 41.02 H new ATOM 0 HD23 LEU A 13 -3.335 -6.406 -1.583 1.00 41.02 H new ATOM 222 N MET A 14 -0.481 -2.190 -0.852 1.00 14.34 N ATOM 223 CA MET A 14 0.879 -1.688 -0.984 1.00 12.20 C ATOM 224 C MET A 14 1.777 -2.514 -0.072 1.00 43.12 C ATOM 225 O MET A 14 2.724 -3.128 -0.557 1.00 12.42 O ATOM 226 CB MET A 14 0.893 -0.185 -0.670 1.00 11.33 C ATOM 227 CG MET A 14 2.267 0.486 -0.470 1.00 65.34 C ATOM 228 SD MET A 14 3.029 1.400 -1.832 1.00 4.12 S ATOM 229 CE MET A 14 3.461 0.078 -2.947 1.00 31.42 C ATOM 0 H MET A 14 -1.167 -1.476 -0.609 1.00 14.34 H new ATOM 0 HA MET A 14 1.260 -1.792 -2.000 1.00 12.20 H new ATOM 0 HB2 MET A 14 0.380 0.333 -1.480 1.00 11.33 H new ATOM 0 HB3 MET A 14 0.305 -0.024 0.234 1.00 11.33 H new ATOM 0 HG2 MET A 14 2.174 1.174 0.371 1.00 65.34 H new ATOM 0 HG3 MET A 14 2.968 -0.292 -0.169 1.00 65.34 H new ATOM 0 HE1 MET A 14 4.498 0.193 -3.263 1.00 31.42 H new ATOM 0 HE2 MET A 14 3.340 -0.879 -2.440 1.00 31.42 H new ATOM 0 HE3 MET A 14 2.810 0.111 -3.820 1.00 31.42 H new ATOM 239 N GLY A 15 1.471 -2.588 1.224 1.00 32.10 N ATOM 240 CA GLY A 15 2.315 -3.307 2.162 1.00 30.04 C ATOM 241 C GLY A 15 2.465 -4.792 1.814 1.00 5.22 C ATOM 242 O GLY A 15 3.585 -5.281 1.871 1.00 14.53 O ATOM 0 H GLY A 15 0.646 -2.158 1.641 1.00 32.10 H new ATOM 0 HA2 GLY A 15 3.301 -2.843 2.185 1.00 30.04 H new ATOM 0 HA3 GLY A 15 1.896 -3.215 3.164 1.00 30.04 H new ATOM 246 N LEU A 16 1.407 -5.510 1.412 1.00 11.10 N ATOM 247 CA LEU A 16 1.516 -6.922 1.017 1.00 30.43 C ATOM 248 C LEU A 16 2.417 -7.071 -0.213 1.00 5.23 C ATOM 249 O LEU A 16 3.227 -7.998 -0.279 1.00 14.21 O ATOM 250 CB LEU A 16 0.140 -7.555 0.701 1.00 3.21 C ATOM 251 CG LEU A 16 -0.559 -8.386 1.800 1.00 74.41 C ATOM 252 CD1 LEU A 16 0.339 -9.425 2.481 1.00 11.52 C ATOM 253 CD2 LEU A 16 -1.199 -7.520 2.878 1.00 50.15 C ATOM 0 H LEU A 16 0.461 -5.134 1.352 1.00 11.10 H new ATOM 0 HA LEU A 16 1.949 -7.446 1.869 1.00 30.43 H new ATOM 0 HB2 LEU A 16 -0.537 -6.750 0.413 1.00 3.21 H new ATOM 0 HB3 LEU A 16 0.263 -8.196 -0.172 1.00 3.21 H new ATOM 0 HG LEU A 16 -1.332 -8.922 1.249 1.00 74.41 H new ATOM 0 HD11 LEU A 16 -0.234 -9.961 3.238 1.00 11.52 H new ATOM 0 HD12 LEU A 16 0.707 -10.131 1.737 1.00 11.52 H new ATOM 0 HD13 LEU A 16 1.183 -8.923 2.953 1.00 11.52 H new ATOM 0 HD21 LEU A 16 -1.675 -8.158 3.623 1.00 50.15 H new ATOM 0 HD22 LEU A 16 -0.433 -6.911 3.358 1.00 50.15 H new ATOM 0 HD23 LEU A 16 -1.948 -6.870 2.426 1.00 50.15 H new ATOM 265 N TRP A 17 2.263 -6.200 -1.222 1.00 33.02 N ATOM 266 CA TRP A 17 3.105 -6.242 -2.420 1.00 2.34 C ATOM 267 C TRP A 17 4.571 -6.029 -2.029 1.00 65.23 C ATOM 268 O TRP A 17 5.429 -6.810 -2.436 1.00 74.15 O ATOM 269 CB TRP A 17 2.616 -5.226 -3.470 1.00 61.41 C ATOM 270 CG TRP A 17 3.520 -5.062 -4.658 1.00 64.24 C ATOM 271 CD1 TRP A 17 3.683 -5.942 -5.671 1.00 64.24 C ATOM 272 CD2 TRP A 17 4.488 -4.001 -4.914 1.00 70.25 C ATOM 273 NE1 TRP A 17 4.719 -5.532 -6.490 1.00 51.24 N ATOM 274 CE2 TRP A 17 5.252 -4.335 -6.067 1.00 73.21 C ATOM 275 CE3 TRP A 17 4.806 -2.792 -4.271 1.00 13.30 C ATOM 276 CZ2 TRP A 17 6.290 -3.517 -6.534 1.00 44.35 C ATOM 277 CZ3 TRP A 17 5.829 -1.944 -4.741 1.00 31.03 C ATOM 278 CH2 TRP A 17 6.574 -2.307 -5.877 1.00 54.11 C ATOM 0 H TRP A 17 1.562 -5.459 -1.229 1.00 33.02 H new ATOM 0 HA TRP A 17 3.028 -7.225 -2.885 1.00 2.34 H new ATOM 0 HB2 TRP A 17 1.631 -5.533 -3.821 1.00 61.41 H new ATOM 0 HB3 TRP A 17 2.494 -4.256 -2.987 1.00 61.41 H new ATOM 0 HD1 TRP A 17 3.092 -6.833 -5.819 1.00 64.24 H new ATOM 0 HE1 TRP A 17 5.047 -6.051 -7.305 1.00 51.24 H new ATOM 0 HE3 TRP A 17 4.250 -2.504 -3.391 1.00 13.30 H new ATOM 0 HZ2 TRP A 17 6.869 -3.815 -7.395 1.00 44.35 H new ATOM 0 HZ3 TRP A 17 6.040 -1.017 -4.229 1.00 31.03 H new ATOM 0 HH2 TRP A 17 7.359 -1.661 -6.242 1.00 54.11 H new ATOM 289 N VAL A 18 4.843 -5.005 -1.222 1.00 62.34 N ATOM 290 CA VAL A 18 6.173 -4.636 -0.756 1.00 21.32 C ATOM 291 C VAL A 18 6.800 -5.763 0.052 1.00 12.41 C ATOM 292 O VAL A 18 7.949 -6.107 -0.193 1.00 10.45 O ATOM 293 CB VAL A 18 6.053 -3.369 0.097 1.00 13.43 C ATOM 294 CG1 VAL A 18 7.343 -2.986 0.815 1.00 44.21 C ATOM 295 CG2 VAL A 18 5.628 -2.170 -0.750 1.00 34.44 C ATOM 0 H VAL A 18 4.114 -4.388 -0.863 1.00 62.34 H new ATOM 0 HA VAL A 18 6.820 -4.450 -1.613 1.00 21.32 H new ATOM 0 HB VAL A 18 5.298 -3.613 0.845 1.00 13.43 H new ATOM 0 HG11 VAL A 18 7.180 -2.080 1.398 1.00 44.21 H new ATOM 0 HG12 VAL A 18 7.644 -3.796 1.480 1.00 44.21 H new ATOM 0 HG13 VAL A 18 8.129 -2.808 0.081 1.00 44.21 H new ATOM 0 HG21 VAL A 18 5.551 -1.286 -0.117 1.00 34.44 H new ATOM 0 HG22 VAL A 18 6.369 -1.995 -1.530 1.00 34.44 H new ATOM 0 HG23 VAL A 18 4.660 -2.373 -1.208 1.00 34.44 H new ATOM 305 N ALA A 19 6.073 -6.312 1.025 1.00 64.04 N ATOM 306 CA ALA A 19 6.573 -7.365 1.888 1.00 34.32 C ATOM 307 C ALA A 19 7.136 -8.522 1.054 1.00 64.15 C ATOM 308 O ALA A 19 8.225 -9.012 1.338 1.00 11.23 O ATOM 309 CB ALA A 19 5.437 -7.805 2.812 1.00 53.35 C ATOM 0 H ALA A 19 5.114 -6.032 1.232 1.00 64.04 H new ATOM 0 HA ALA A 19 7.399 -7.003 2.501 1.00 34.32 H new ATOM 0 HB1 ALA A 19 5.791 -8.598 3.471 1.00 53.35 H new ATOM 0 HB2 ALA A 19 5.105 -6.956 3.410 1.00 53.35 H new ATOM 0 HB3 ALA A 19 4.604 -8.175 2.214 1.00 53.35 H new ATOM 315 N GLU A 20 6.453 -8.893 -0.026 1.00 30.04 N ATOM 316 CA GLU A 20 6.890 -9.915 -0.959 1.00 30.14 C ATOM 317 C GLU A 20 8.152 -9.491 -1.722 1.00 42.23 C ATOM 318 O GLU A 20 9.053 -10.310 -1.888 1.00 24.35 O ATOM 319 CB GLU A 20 5.690 -10.217 -1.855 1.00 65.24 C ATOM 320 CG GLU A 20 6.010 -11.040 -3.100 1.00 25.13 C ATOM 321 CD GLU A 20 4.716 -11.352 -3.840 1.00 31.14 C ATOM 322 OE1 GLU A 20 3.909 -10.420 -4.074 1.00 31.41 O ATOM 323 OE2 GLU A 20 4.468 -12.538 -4.153 1.00 21.30 O ATOM 0 H GLU A 20 5.557 -8.477 -0.279 1.00 30.04 H new ATOM 0 HA GLU A 20 7.197 -10.826 -0.446 1.00 30.14 H new ATOM 0 HB2 GLU A 20 4.941 -10.749 -1.268 1.00 65.24 H new ATOM 0 HB3 GLU A 20 5.240 -9.274 -2.166 1.00 65.24 H new ATOM 0 HG2 GLU A 20 6.691 -10.490 -3.749 1.00 25.13 H new ATOM 0 HG3 GLU A 20 6.515 -11.965 -2.820 1.00 25.13 H new ATOM 330 N VAL A 21 8.253 -8.225 -2.145 1.00 70.33 N ATOM 331 CA VAL A 21 9.478 -7.661 -2.727 1.00 14.31 C ATOM 332 C VAL A 21 10.639 -7.695 -1.707 1.00 32.04 C ATOM 333 O VAL A 21 11.802 -7.711 -2.115 1.00 32.15 O ATOM 334 CB VAL A 21 9.181 -6.235 -3.271 1.00 32.33 C ATOM 335 CG1 VAL A 21 10.418 -5.490 -3.786 1.00 5.31 C ATOM 336 CG2 VAL A 21 8.168 -6.268 -4.427 1.00 34.24 C ATOM 0 H VAL A 21 7.482 -7.559 -2.093 1.00 70.33 H new ATOM 0 HA VAL A 21 9.805 -8.271 -3.569 1.00 14.31 H new ATOM 0 HB VAL A 21 8.784 -5.704 -2.406 1.00 32.33 H new ATOM 0 HG11 VAL A 21 10.125 -4.504 -4.147 1.00 5.31 H new ATOM 0 HG12 VAL A 21 11.140 -5.380 -2.977 1.00 5.31 H new ATOM 0 HG13 VAL A 21 10.870 -6.055 -4.601 1.00 5.31 H new ATOM 0 HG21 VAL A 21 7.986 -5.253 -4.780 1.00 34.24 H new ATOM 0 HG22 VAL A 21 8.567 -6.870 -5.243 1.00 34.24 H new ATOM 0 HG23 VAL A 21 7.232 -6.704 -4.078 1.00 34.24 H new ATOM 346 N LEU A 22 10.343 -7.708 -0.402 1.00 24.31 N ATOM 347 CA LEU A 22 11.281 -7.854 0.715 1.00 4.35 C ATOM 348 C LEU A 22 11.462 -9.329 1.131 1.00 24.44 C ATOM 349 O LEU A 22 12.108 -9.606 2.145 1.00 41.12 O ATOM 350 CB LEU A 22 10.780 -6.992 1.901 1.00 24.44 C ATOM 351 CG LEU A 22 11.300 -5.543 1.928 1.00 50.22 C ATOM 352 CD1 LEU A 22 10.982 -4.728 0.669 1.00 53.40 C ATOM 353 CD2 LEU A 22 10.681 -4.814 3.126 1.00 30.45 C ATOM 0 H LEU A 22 9.381 -7.611 -0.078 1.00 24.31 H new ATOM 0 HA LEU A 22 12.264 -7.506 0.398 1.00 4.35 H new ATOM 0 HB2 LEU A 22 9.691 -6.969 1.877 1.00 24.44 H new ATOM 0 HB3 LEU A 22 11.068 -7.481 2.831 1.00 24.44 H new ATOM 0 HG LEU A 22 12.385 -5.619 1.993 1.00 50.22 H new ATOM 0 HD11 LEU A 22 11.386 -3.721 0.776 1.00 53.40 H new ATOM 0 HD12 LEU A 22 11.432 -5.209 -0.199 1.00 53.40 H new ATOM 0 HD13 LEU A 22 9.902 -4.674 0.534 1.00 53.40 H new ATOM 0 HD21 LEU A 22 11.044 -3.786 3.154 1.00 30.45 H new ATOM 0 HD22 LEU A 22 9.595 -4.813 3.030 1.00 30.45 H new ATOM 0 HD23 LEU A 22 10.964 -5.323 4.047 1.00 30.45 H new ATOM 365 N GLY A 23 10.875 -10.288 0.407 1.00 64.42 N ATOM 366 CA GLY A 23 11.036 -11.714 0.671 1.00 62.32 C ATOM 367 C GLY A 23 10.295 -12.186 1.923 1.00 1.25 C ATOM 368 O GLY A 23 10.533 -13.297 2.399 1.00 52.22 O ATOM 0 H GLY A 23 10.268 -10.089 -0.388 1.00 64.42 H new ATOM 0 HA2 GLY A 23 10.677 -12.278 -0.190 1.00 62.32 H new ATOM 0 HA3 GLY A 23 12.097 -11.939 0.779 1.00 62.32 H new ATOM 372 N LYS A 24 9.411 -11.367 2.496 1.00 53.20 N ATOM 373 CA LYS A 24 8.518 -11.793 3.568 1.00 33.41 C ATOM 374 C LYS A 24 7.460 -12.732 2.982 1.00 2.14 C ATOM 375 O LYS A 24 7.241 -12.758 1.756 1.00 52.40 O ATOM 376 CB LYS A 24 7.838 -10.564 4.188 1.00 51.14 C ATOM 377 CG LYS A 24 8.807 -9.555 4.828 1.00 71.30 C ATOM 378 CD LYS A 24 8.061 -8.377 5.474 1.00 14.22 C ATOM 379 CE LYS A 24 8.988 -7.577 6.397 1.00 22.24 C ATOM 380 NZ LYS A 24 8.775 -7.863 7.831 1.00 34.35 N ATOM 0 H LYS A 24 9.296 -10.390 2.228 1.00 53.20 H new ATOM 0 HA LYS A 24 9.083 -12.312 4.342 1.00 33.41 H new ATOM 0 HB2 LYS A 24 7.261 -10.055 3.416 1.00 51.14 H new ATOM 0 HB3 LYS A 24 7.130 -10.900 4.946 1.00 51.14 H new ATOM 0 HG2 LYS A 24 9.411 -10.060 5.582 1.00 71.30 H new ATOM 0 HG3 LYS A 24 9.493 -9.178 4.069 1.00 71.30 H new ATOM 0 HD2 LYS A 24 7.664 -7.724 4.697 1.00 14.22 H new ATOM 0 HD3 LYS A 24 7.209 -8.750 6.043 1.00 14.22 H new ATOM 0 HE2 LYS A 24 10.024 -7.798 6.140 1.00 22.24 H new ATOM 0 HE3 LYS A 24 8.835 -6.512 6.220 1.00 22.24 H new ATOM 0 HZ1 LYS A 24 9.221 -7.118 8.404 1.00 34.35 H new ATOM 0 HZ2 LYS A 24 7.755 -7.890 8.032 1.00 34.35 H new ATOM 0 HZ3 LYS A 24 9.199 -8.782 8.068 1.00 34.35 H new ATOM 394 N SER A 25 6.728 -13.420 3.854 1.00 33.40 N ATOM 395 CA SER A 25 5.580 -14.233 3.467 1.00 3.52 C ATOM 396 C SER A 25 4.751 -14.552 4.711 1.00 62.22 C ATOM 397 O SER A 25 5.217 -14.345 5.832 1.00 51.34 O ATOM 398 CB SER A 25 6.056 -15.507 2.751 1.00 43.35 C ATOM 399 OG SER A 25 7.257 -16.033 3.281 1.00 25.11 O ATOM 0 H SER A 25 6.917 -13.429 4.856 1.00 33.40 H new ATOM 0 HA SER A 25 4.948 -13.685 2.768 1.00 3.52 H new ATOM 0 HB2 SER A 25 5.276 -16.265 2.817 1.00 43.35 H new ATOM 0 HB3 SER A 25 6.199 -15.288 1.693 1.00 43.35 H new ATOM 0 HG SER A 25 7.506 -16.841 2.786 1.00 25.11 H new ATOM 405 N GLY A 26 3.533 -15.065 4.533 1.00 74.04 N ATOM 406 CA GLY A 26 2.647 -15.388 5.639 1.00 24.40 C ATOM 407 C GLY A 26 2.375 -14.149 6.492 1.00 43.12 C ATOM 408 O GLY A 26 2.277 -13.028 5.988 1.00 2.54 O ATOM 0 H GLY A 26 3.138 -15.266 3.615 1.00 74.04 H new ATOM 0 HA2 GLY A 26 1.707 -15.785 5.255 1.00 24.40 H new ATOM 0 HA3 GLY A 26 3.095 -16.168 6.254 1.00 24.40 H new ATOM 412 N ASP A 27 2.194 -14.361 7.795 1.00 62.21 N ATOM 413 CA ASP A 27 1.726 -13.327 8.721 1.00 24.12 C ATOM 414 C ASP A 27 2.669 -12.122 8.756 1.00 71.33 C ATOM 415 O ASP A 27 2.176 -11.002 8.860 1.00 63.31 O ATOM 416 CB ASP A 27 1.542 -13.890 10.136 1.00 61.13 C ATOM 417 CG ASP A 27 0.314 -14.778 10.322 1.00 61.22 C ATOM 418 OD1 ASP A 27 -0.576 -14.798 9.447 1.00 73.12 O ATOM 419 OD2 ASP A 27 0.222 -15.440 11.381 1.00 44.13 O ATOM 0 H ASP A 27 2.369 -15.261 8.242 1.00 62.21 H new ATOM 0 HA ASP A 27 0.759 -12.988 8.350 1.00 24.12 H new ATOM 0 HB2 ASP A 27 2.430 -14.464 10.401 1.00 61.13 H new ATOM 0 HB3 ASP A 27 1.479 -13.058 10.837 1.00 61.13 H new ATOM 424 N GLU A 28 3.980 -12.297 8.560 1.00 54.22 N ATOM 425 CA GLU A 28 4.958 -11.221 8.395 1.00 2.10 C ATOM 426 C GLU A 28 4.493 -10.166 7.391 1.00 44.25 C ATOM 427 O GLU A 28 4.624 -8.960 7.621 1.00 12.23 O ATOM 428 CB GLU A 28 6.273 -11.851 7.905 1.00 3.54 C ATOM 429 CG GLU A 28 7.340 -11.952 8.987 1.00 2.54 C ATOM 430 CD GLU A 28 8.243 -10.717 8.994 1.00 54.51 C ATOM 431 OE1 GLU A 28 9.126 -10.585 8.127 1.00 53.23 O ATOM 432 OE2 GLU A 28 8.024 -9.790 9.817 1.00 13.54 O ATOM 0 H GLU A 28 4.402 -13.224 8.510 1.00 54.22 H new ATOM 0 HA GLU A 28 5.089 -10.716 9.352 1.00 2.10 H new ATOM 0 HB2 GLU A 28 6.066 -12.848 7.516 1.00 3.54 H new ATOM 0 HB3 GLU A 28 6.663 -11.260 7.076 1.00 3.54 H new ATOM 0 HG2 GLU A 28 6.864 -12.062 9.961 1.00 2.54 H new ATOM 0 HG3 GLU A 28 7.943 -12.845 8.824 1.00 2.54 H new ATOM 439 N ALA A 29 3.933 -10.627 6.273 1.00 41.22 N ATOM 440 CA ALA A 29 3.509 -9.758 5.189 1.00 5.23 C ATOM 441 C ALA A 29 2.316 -8.889 5.594 1.00 62.24 C ATOM 442 O ALA A 29 2.224 -7.718 5.219 1.00 1.12 O ATOM 443 CB ALA A 29 3.172 -10.629 3.979 1.00 42.41 C ATOM 0 H ALA A 29 3.763 -11.617 6.098 1.00 41.22 H new ATOM 0 HA ALA A 29 4.318 -9.072 4.938 1.00 5.23 H new ATOM 0 HB1 ALA A 29 2.851 -9.995 3.153 1.00 42.41 H new ATOM 0 HB2 ALA A 29 4.055 -11.195 3.681 1.00 42.41 H new ATOM 0 HB3 ALA A 29 2.370 -11.319 4.240 1.00 42.41 H new ATOM 449 N ASN A 30 1.397 -9.455 6.369 1.00 13.14 N ATOM 450 CA ASN A 30 0.207 -8.761 6.855 1.00 14.34 C ATOM 451 C ASN A 30 0.643 -7.766 7.902 1.00 41.53 C ATOM 452 O ASN A 30 0.088 -6.662 7.979 1.00 20.32 O ATOM 453 CB ASN A 30 -0.810 -9.737 7.474 1.00 53.24 C ATOM 454 CG ASN A 30 -1.076 -9.569 8.953 1.00 12.11 C ATOM 455 OD1 ASN A 30 -1.939 -8.811 9.371 1.00 71.44 O ATOM 456 ND2 ASN A 30 -0.335 -10.296 9.770 1.00 73.42 N ATOM 0 H ASN A 30 1.458 -10.424 6.683 1.00 13.14 H new ATOM 0 HA ASN A 30 -0.281 -8.266 6.015 1.00 14.34 H new ATOM 0 HB2 ASN A 30 -1.755 -9.632 6.941 1.00 53.24 H new ATOM 0 HB3 ASN A 30 -0.458 -10.754 7.302 1.00 53.24 H new ATOM 0 HD21 ASN A 30 -0.476 -10.233 10.778 1.00 73.42 H new ATOM 0 HD22 ASN A 30 0.378 -10.920 9.393 1.00 73.42 H new ATOM 463 N ALA A 31 1.598 -8.200 8.732 1.00 22.23 N ATOM 464 CA ALA A 31 1.983 -7.446 9.886 1.00 31.20 C ATOM 465 C ALA A 31 2.746 -6.212 9.409 1.00 31.04 C ATOM 466 O ALA A 31 2.528 -5.127 9.946 1.00 34.01 O ATOM 467 CB ALA A 31 2.815 -8.303 10.844 1.00 41.11 C ATOM 0 H ALA A 31 2.108 -9.075 8.608 1.00 22.23 H new ATOM 0 HA ALA A 31 1.103 -7.129 10.446 1.00 31.20 H new ATOM 0 HB1 ALA A 31 3.096 -7.709 11.713 1.00 41.11 H new ATOM 0 HB2 ALA A 31 2.228 -9.163 11.167 1.00 41.11 H new ATOM 0 HB3 ALA A 31 3.715 -8.649 10.335 1.00 41.11 H new ATOM 473 N TYR A 32 3.564 -6.379 8.362 1.00 55.14 N ATOM 474 CA TYR A 32 4.239 -5.302 7.648 1.00 23.31 C ATOM 475 C TYR A 32 3.197 -4.343 7.089 1.00 15.43 C ATOM 476 O TYR A 32 3.292 -3.128 7.253 1.00 62.12 O ATOM 477 CB TYR A 32 5.095 -5.882 6.506 1.00 12.30 C ATOM 478 CG TYR A 32 5.880 -4.834 5.734 1.00 11.40 C ATOM 479 CD1 TYR A 32 7.173 -4.494 6.156 1.00 3.32 C ATOM 480 CD2 TYR A 32 5.328 -4.172 4.617 1.00 42.51 C ATOM 481 CE1 TYR A 32 7.890 -3.481 5.502 1.00 41.51 C ATOM 482 CE2 TYR A 32 6.041 -3.155 3.948 1.00 4.32 C ATOM 483 CZ TYR A 32 7.324 -2.780 4.417 1.00 1.34 C ATOM 484 OH TYR A 32 8.002 -1.723 3.890 1.00 34.21 O ATOM 0 H TYR A 32 3.777 -7.301 7.981 1.00 55.14 H new ATOM 0 HA TYR A 32 4.894 -4.764 8.333 1.00 23.31 H new ATOM 0 HB2 TYR A 32 5.791 -6.611 6.921 1.00 12.30 H new ATOM 0 HB3 TYR A 32 4.446 -6.419 5.814 1.00 12.30 H new ATOM 0 HD1 TYR A 32 7.620 -5.015 6.990 1.00 3.32 H new ATOM 0 HD2 TYR A 32 4.344 -4.448 4.269 1.00 42.51 H new ATOM 0 HE1 TYR A 32 8.888 -3.235 5.834 1.00 41.51 H new ATOM 0 HE2 TYR A 32 5.612 -2.666 3.086 1.00 4.32 H new ATOM 0 HH TYR A 32 8.434 -1.219 4.611 1.00 34.21 H new ATOM 494 N ALA A 33 2.179 -4.877 6.408 1.00 34.33 N ATOM 495 CA ALA A 33 1.171 -4.049 5.775 1.00 52.23 C ATOM 496 C ALA A 33 0.363 -3.204 6.756 1.00 15.53 C ATOM 497 O ALA A 33 -0.177 -2.179 6.339 1.00 15.54 O ATOM 498 CB ALA A 33 0.264 -4.918 4.915 1.00 13.50 C ATOM 0 H ALA A 33 2.039 -5.880 6.286 1.00 34.33 H new ATOM 0 HA ALA A 33 1.697 -3.330 5.146 1.00 52.23 H new ATOM 0 HB1 ALA A 33 -0.493 -4.295 4.440 1.00 13.50 H new ATOM 0 HB2 ALA A 33 0.857 -5.416 4.148 1.00 13.50 H new ATOM 0 HB3 ALA A 33 -0.223 -5.667 5.540 1.00 13.50 H new ATOM 504 N ALA A 34 0.299 -3.576 8.038 1.00 74.31 N ATOM 505 CA ALA A 34 -0.321 -2.727 9.040 1.00 13.22 C ATOM 506 C ALA A 34 0.434 -1.404 9.170 1.00 1.10 C ATOM 507 O ALA A 34 -0.230 -0.384 9.305 1.00 4.23 O ATOM 508 CB ALA A 34 -0.371 -3.427 10.392 1.00 14.23 C ATOM 0 H ALA A 34 0.669 -4.456 8.398 1.00 74.31 H new ATOM 0 HA ALA A 34 -1.341 -2.522 8.715 1.00 13.22 H new ATOM 0 HB1 ALA A 34 -0.840 -2.770 11.125 1.00 14.23 H new ATOM 0 HB2 ALA A 34 -0.951 -4.346 10.305 1.00 14.23 H new ATOM 0 HB3 ALA A 34 0.642 -3.667 10.715 1.00 14.23 H new ATOM 514 N GLU A 35 1.772 -1.409 9.089 1.00 12.51 N ATOM 515 CA GLU A 35 2.604 -0.212 9.219 1.00 23.32 C ATOM 516 C GLU A 35 2.164 0.832 8.196 1.00 71.11 C ATOM 517 O GLU A 35 1.931 1.983 8.548 1.00 43.41 O ATOM 518 CB GLU A 35 4.090 -0.537 9.028 1.00 1.51 C ATOM 519 CG GLU A 35 4.637 -1.529 10.057 1.00 0.12 C ATOM 520 CD GLU A 35 4.554 -1.009 11.491 1.00 20.00 C ATOM 521 OE1 GLU A 35 3.512 -1.205 12.157 1.00 55.13 O ATOM 522 OE2 GLU A 35 5.504 -0.380 11.999 1.00 43.45 O ATOM 0 H GLU A 35 2.312 -2.260 8.929 1.00 12.51 H new ATOM 0 HA GLU A 35 2.476 0.183 10.227 1.00 23.32 H new ATOM 0 HB2 GLU A 35 4.239 -0.945 8.028 1.00 1.51 H new ATOM 0 HB3 GLU A 35 4.666 0.387 9.085 1.00 1.51 H new ATOM 0 HG2 GLU A 35 4.082 -2.464 9.983 1.00 0.12 H new ATOM 0 HG3 GLU A 35 5.676 -1.756 9.818 1.00 0.12 H new ATOM 529 N VAL A 36 1.995 0.414 6.936 1.00 62.31 N ATOM 530 CA VAL A 36 1.613 1.293 5.835 1.00 11.11 C ATOM 531 C VAL A 36 0.224 1.897 6.137 1.00 60.34 C ATOM 532 O VAL A 36 -0.007 3.094 5.973 1.00 35.40 O ATOM 533 CB VAL A 36 1.664 0.488 4.510 1.00 0.13 C ATOM 534 CG1 VAL A 36 1.521 1.417 3.302 1.00 73.21 C ATOM 535 CG2 VAL A 36 2.982 -0.293 4.338 1.00 62.13 C ATOM 0 H VAL A 36 2.122 -0.558 6.653 1.00 62.31 H new ATOM 0 HA VAL A 36 2.305 2.128 5.726 1.00 11.11 H new ATOM 0 HB VAL A 36 0.834 -0.217 4.563 1.00 0.13 H new ATOM 0 HG11 VAL A 36 1.560 0.830 2.385 1.00 73.21 H new ATOM 0 HG12 VAL A 36 0.567 1.941 3.357 1.00 73.21 H new ATOM 0 HG13 VAL A 36 2.334 2.143 3.303 1.00 73.21 H new ATOM 0 HG21 VAL A 36 2.962 -0.837 3.394 1.00 62.13 H new ATOM 0 HG22 VAL A 36 3.820 0.404 4.337 1.00 62.13 H new ATOM 0 HG23 VAL A 36 3.097 -0.998 5.161 1.00 62.13 H new ATOM 545 N VAL A 37 -0.705 1.081 6.651 1.00 1.34 N ATOM 546 CA VAL A 37 -2.059 1.501 7.057 1.00 71.05 C ATOM 547 C VAL A 37 -2.019 2.386 8.324 1.00 35.02 C ATOM 548 O VAL A 37 -3.028 2.965 8.734 1.00 61.12 O ATOM 549 CB VAL A 37 -2.902 0.221 7.297 1.00 73.43 C ATOM 550 CG1 VAL A 37 -4.330 0.535 7.742 1.00 41.33 C ATOM 551 CG2 VAL A 37 -3.008 -0.699 6.074 1.00 12.10 C ATOM 0 H VAL A 37 -0.535 0.086 6.801 1.00 1.34 H new ATOM 0 HA VAL A 37 -2.510 2.106 6.270 1.00 71.05 H new ATOM 0 HB VAL A 37 -2.353 -0.293 8.086 1.00 73.43 H new ATOM 0 HG11 VAL A 37 -4.876 -0.396 7.896 1.00 41.33 H new ATOM 0 HG12 VAL A 37 -4.305 1.099 8.674 1.00 41.33 H new ATOM 0 HG13 VAL A 37 -4.829 1.126 6.974 1.00 41.33 H new ATOM 0 HG21 VAL A 37 -3.613 -1.570 6.325 1.00 12.10 H new ATOM 0 HG22 VAL A 37 -3.475 -0.158 5.251 1.00 12.10 H new ATOM 0 HG23 VAL A 37 -2.011 -1.024 5.775 1.00 12.10 H new ATOM 561 N LYS A 38 -0.870 2.487 8.972 1.00 53.35 N ATOM 562 CA LYS A 38 -0.622 3.326 10.121 1.00 0.51 C ATOM 563 C LYS A 38 0.281 4.515 9.796 1.00 1.42 C ATOM 564 O LYS A 38 0.604 5.256 10.720 1.00 0.43 O ATOM 565 CB LYS A 38 -0.076 2.440 11.246 1.00 43.25 C ATOM 566 CG LYS A 38 -1.142 2.311 12.334 1.00 75.13 C ATOM 567 CD LYS A 38 -0.588 1.617 13.582 1.00 75.03 C ATOM 568 CE LYS A 38 0.410 2.474 14.372 1.00 22.41 C ATOM 569 NZ LYS A 38 -0.169 3.731 14.892 1.00 61.02 N ATOM 0 H LYS A 38 -0.045 1.956 8.692 1.00 53.35 H new ATOM 0 HA LYS A 38 -1.555 3.784 10.451 1.00 0.51 H new ATOM 0 HB2 LYS A 38 0.187 1.456 10.857 1.00 43.25 H new ATOM 0 HB3 LYS A 38 0.835 2.874 11.659 1.00 43.25 H new ATOM 0 HG2 LYS A 38 -1.513 3.301 12.601 1.00 75.13 H new ATOM 0 HG3 LYS A 38 -1.991 1.746 11.948 1.00 75.13 H new ATOM 0 HD2 LYS A 38 -1.418 1.346 14.235 1.00 75.03 H new ATOM 0 HD3 LYS A 38 -0.101 0.689 13.285 1.00 75.03 H new ATOM 0 HE2 LYS A 38 0.796 1.889 15.207 1.00 22.41 H new ATOM 0 HE3 LYS A 38 1.258 2.713 13.730 1.00 22.41 H new ATOM 0 HZ1 LYS A 38 0.508 4.184 15.538 1.00 61.02 H new ATOM 0 HZ2 LYS A 38 -0.374 4.373 14.100 1.00 61.02 H new ATOM 0 HZ3 LYS A 38 -1.050 3.522 15.404 1.00 61.02 H new ATOM 583 N ALA A 39 0.657 4.738 8.536 1.00 52.35 N ATOM 584 CA ALA A 39 1.473 5.874 8.119 1.00 71.35 C ATOM 585 C ALA A 39 0.653 6.870 7.298 1.00 20.24 C ATOM 586 O ALA A 39 0.987 8.050 7.252 1.00 35.00 O ATOM 587 CB ALA A 39 2.679 5.366 7.317 1.00 11.31 C ATOM 0 H ALA A 39 0.397 4.123 7.765 1.00 52.35 H new ATOM 0 HA ALA A 39 1.828 6.399 9.006 1.00 71.35 H new ATOM 0 HB1 ALA A 39 3.290 6.212 7.004 1.00 11.31 H new ATOM 0 HB2 ALA A 39 3.275 4.698 7.939 1.00 11.31 H new ATOM 0 HB3 ALA A 39 2.329 4.826 6.437 1.00 11.31 H new ATOM 593 N ASP A 40 -0.410 6.420 6.629 1.00 33.42 N ATOM 594 CA ASP A 40 -1.218 7.268 5.749 1.00 3.23 C ATOM 595 C ASP A 40 -2.231 8.078 6.550 1.00 71.02 C ATOM 596 O ASP A 40 -3.428 7.769 6.579 1.00 35.33 O ATOM 597 CB ASP A 40 -1.920 6.401 4.715 1.00 53.53 C ATOM 598 CG ASP A 40 -2.737 7.214 3.710 1.00 15.11 C ATOM 599 OD1 ASP A 40 -2.299 8.297 3.288 1.00 4.11 O ATOM 600 OD2 ASP A 40 -3.803 6.699 3.264 1.00 14.22 O ATOM 0 H ASP A 40 -0.736 5.455 6.682 1.00 33.42 H new ATOM 0 HA ASP A 40 -0.562 7.973 5.239 1.00 3.23 H new ATOM 0 HB2 ASP A 40 -1.177 5.811 4.178 1.00 53.53 H new ATOM 0 HB3 ASP A 40 -2.578 5.697 5.225 1.00 53.53 H new ATOM 605 N PHE A 41 -1.720 9.081 7.252 1.00 55.13 N ATOM 606 CA PHE A 41 -2.468 10.068 7.998 1.00 12.32 C ATOM 607 C PHE A 41 -1.717 11.396 7.869 1.00 2.24 C ATOM 608 O PHE A 41 -0.541 11.420 7.497 1.00 22.41 O ATOM 609 CB PHE A 41 -2.558 9.676 9.485 1.00 22.31 C ATOM 610 CG PHE A 41 -2.959 8.252 9.833 1.00 41.31 C ATOM 611 CD1 PHE A 41 -4.204 7.718 9.448 1.00 61.01 C ATOM 612 CD2 PHE A 41 -2.083 7.464 10.597 1.00 20.20 C ATOM 613 CE1 PHE A 41 -4.563 6.409 9.823 1.00 61.43 C ATOM 614 CE2 PHE A 41 -2.457 6.171 10.988 1.00 13.51 C ATOM 615 CZ PHE A 41 -3.692 5.637 10.603 1.00 43.12 C ATOM 0 H PHE A 41 -0.713 9.230 7.316 1.00 55.13 H new ATOM 0 HA PHE A 41 -3.483 10.143 7.608 1.00 12.32 H new ATOM 0 HB2 PHE A 41 -1.585 9.867 9.938 1.00 22.31 H new ATOM 0 HB3 PHE A 41 -3.271 10.348 9.963 1.00 22.31 H new ATOM 0 HD1 PHE A 41 -4.887 8.315 8.862 1.00 61.01 H new ATOM 0 HD2 PHE A 41 -1.118 7.855 10.884 1.00 20.20 H new ATOM 0 HE1 PHE A 41 -5.512 5.999 9.509 1.00 61.43 H new ATOM 0 HE2 PHE A 41 -1.785 5.580 11.593 1.00 13.51 H new ATOM 0 HZ PHE A 41 -3.971 4.638 10.905 1.00 43.12 H new ATOM 625 N GLU A 42 -2.365 12.480 8.295 1.00 33.20 N ATOM 626 CA GLU A 42 -1.836 13.829 8.467 1.00 72.02 C ATOM 627 C GLU A 42 -1.584 14.492 7.102 1.00 13.44 C ATOM 628 O GLU A 42 -2.283 15.449 6.745 1.00 74.12 O ATOM 629 CB GLU A 42 -0.606 13.882 9.405 1.00 40.22 C ATOM 630 CG GLU A 42 -0.620 12.956 10.639 1.00 13.21 C ATOM 631 CD GLU A 42 -1.737 13.232 11.654 1.00 61.13 C ATOM 632 OE1 GLU A 42 -2.824 12.623 11.591 1.00 63.43 O ATOM 633 OE2 GLU A 42 -1.453 13.933 12.665 1.00 61.41 O ATOM 0 H GLU A 42 -3.352 12.431 8.548 1.00 33.20 H new ATOM 0 HA GLU A 42 -2.599 14.417 8.978 1.00 72.02 H new ATOM 0 HB2 GLU A 42 0.279 13.645 8.815 1.00 40.22 H new ATOM 0 HB3 GLU A 42 -0.491 14.908 9.754 1.00 40.22 H new ATOM 0 HG2 GLU A 42 -0.709 11.925 10.298 1.00 13.21 H new ATOM 0 HG3 GLU A 42 0.340 13.042 11.148 1.00 13.21 H new ATOM 640 N GLU A 43 -0.604 14.002 6.340 1.00 4.44 N ATOM 641 CA GLU A 43 -0.370 14.346 4.955 1.00 60.33 C ATOM 642 C GLU A 43 -1.517 13.727 4.160 1.00 62.35 C ATOM 643 O GLU A 43 -1.642 12.502 4.065 1.00 44.31 O ATOM 644 CB GLU A 43 1.005 13.819 4.523 1.00 20.14 C ATOM 645 CG GLU A 43 1.288 13.943 3.020 1.00 41.55 C ATOM 646 CD GLU A 43 1.771 15.320 2.552 1.00 55.55 C ATOM 647 OE1 GLU A 43 2.996 15.566 2.541 1.00 73.33 O ATOM 648 OE2 GLU A 43 0.928 16.115 2.066 1.00 22.42 O ATOM 0 H GLU A 43 0.072 13.326 6.696 1.00 4.44 H new ATOM 0 HA GLU A 43 -0.351 15.423 4.785 1.00 60.33 H new ATOM 0 HB2 GLU A 43 1.776 14.360 5.071 1.00 20.14 H new ATOM 0 HB3 GLU A 43 1.085 12.771 4.810 1.00 20.14 H new ATOM 0 HG2 GLU A 43 2.039 13.202 2.747 1.00 41.55 H new ATOM 0 HG3 GLU A 43 0.378 13.691 2.475 1.00 41.55 H new ATOM 655 N ALA A 44 -2.364 14.590 3.610 1.00 74.42 N ATOM 656 CA ALA A 44 -3.462 14.196 2.742 1.00 33.33 C ATOM 657 C ALA A 44 -2.927 13.700 1.389 1.00 35.10 C ATOM 658 O ALA A 44 -1.739 13.822 1.090 1.00 73.34 O ATOM 659 CB ALA A 44 -4.412 15.386 2.575 1.00 4.33 C ATOM 0 H ALA A 44 -2.304 15.597 3.758 1.00 74.42 H new ATOM 0 HA ALA A 44 -4.013 13.369 3.189 1.00 33.33 H new ATOM 0 HB1 ALA A 44 -5.240 15.102 1.925 1.00 4.33 H new ATOM 0 HB2 ALA A 44 -4.800 15.681 3.550 1.00 4.33 H new ATOM 0 HB3 ALA A 44 -3.873 16.223 2.131 1.00 4.33 H new ATOM 665 N GLY A 45 -3.808 13.238 0.505 1.00 55.24 N ATOM 666 CA GLY A 45 -3.400 12.809 -0.823 1.00 43.44 C ATOM 667 C GLY A 45 -2.538 11.567 -0.715 1.00 32.33 C ATOM 668 O GLY A 45 -3.041 10.564 -0.207 1.00 15.00 O ATOM 0 H GLY A 45 -4.808 13.153 0.688 1.00 55.24 H new ATOM 0 HA2 GLY A 45 -4.278 12.602 -1.435 1.00 43.44 H new ATOM 0 HA3 GLY A 45 -2.846 13.606 -1.319 1.00 43.44 H new ATOM 672 N HIS A 46 -1.303 11.599 -1.223 1.00 12.22 N ATOM 673 CA HIS A 46 -0.397 10.457 -1.169 1.00 30.34 C ATOM 674 C HIS A 46 1.073 10.861 -1.302 1.00 24.04 C ATOM 675 O HIS A 46 1.842 10.232 -2.035 1.00 5.34 O ATOM 676 CB HIS A 46 -0.822 9.415 -2.215 1.00 43.34 C ATOM 677 CG HIS A 46 -0.971 9.903 -3.634 1.00 5.00 C ATOM 678 ND1 HIS A 46 0.042 10.326 -4.458 1.00 63.01 N ATOM 679 CD2 HIS A 46 -2.131 9.917 -4.359 1.00 44.35 C ATOM 680 CE1 HIS A 46 -0.496 10.596 -5.654 1.00 22.52 C ATOM 681 NE2 HIS A 46 -1.821 10.358 -5.654 1.00 5.33 N ATOM 0 H HIS A 46 -0.907 12.419 -1.682 1.00 12.22 H new ATOM 0 HA HIS A 46 -0.474 10.004 -0.181 1.00 30.34 H new ATOM 0 HB2 HIS A 46 -0.090 8.607 -2.208 1.00 43.34 H new ATOM 0 HB3 HIS A 46 -1.773 8.986 -1.901 1.00 43.34 H new ATOM 0 HD1 HIS A 46 1.026 10.418 -4.205 1.00 63.01 H new ATOM 0 HD2 HIS A 46 -3.110 9.638 -3.999 1.00 44.35 H new ATOM 0 HE1 HIS A 46 0.060 10.957 -6.507 1.00 22.52 H new ATOM 689 N GLU A 47 1.492 11.941 -0.646 1.00 55.43 N ATOM 690 CA GLU A 47 2.900 12.321 -0.663 1.00 44.53 C ATOM 691 C GLU A 47 3.703 11.376 0.243 1.00 42.14 C ATOM 692 O GLU A 47 4.631 10.711 -0.215 1.00 35.00 O ATOM 693 CB GLU A 47 3.065 13.800 -0.268 1.00 3.31 C ATOM 694 CG GLU A 47 3.417 14.679 -1.476 1.00 53.11 C ATOM 695 CD GLU A 47 2.218 14.886 -2.390 1.00 24.31 C ATOM 696 OE1 GLU A 47 1.991 14.014 -3.270 1.00 53.53 O ATOM 697 OE2 GLU A 47 1.541 15.927 -2.234 1.00 23.03 O ATOM 0 H GLU A 47 0.887 12.559 -0.105 1.00 55.43 H new ATOM 0 HA GLU A 47 3.295 12.221 -1.674 1.00 44.53 H new ATOM 0 HB2 GLU A 47 2.142 14.160 0.186 1.00 3.31 H new ATOM 0 HB3 GLU A 47 3.847 13.889 0.486 1.00 3.31 H new ATOM 0 HG2 GLU A 47 3.781 15.646 -1.129 1.00 53.11 H new ATOM 0 HG3 GLU A 47 4.228 14.216 -2.039 1.00 53.11 H new ATOM 704 N ASP A 48 3.392 11.338 1.535 1.00 31.42 N ATOM 705 CA ASP A 48 4.312 10.873 2.578 1.00 1.41 C ATOM 706 C ASP A 48 4.315 9.348 2.718 1.00 24.11 C ATOM 707 O ASP A 48 5.348 8.770 3.060 1.00 34.40 O ATOM 708 CB ASP A 48 3.937 11.596 3.881 1.00 64.43 C ATOM 709 CG ASP A 48 4.930 11.371 5.016 1.00 61.03 C ATOM 710 OD1 ASP A 48 6.164 11.375 4.801 1.00 40.45 O ATOM 711 OD2 ASP A 48 4.461 11.325 6.176 1.00 34.13 O ATOM 0 H ASP A 48 2.484 11.632 1.896 1.00 31.42 H new ATOM 0 HA ASP A 48 5.339 11.119 2.308 1.00 1.41 H new ATOM 0 HB2 ASP A 48 3.861 12.665 3.684 1.00 64.43 H new ATOM 0 HB3 ASP A 48 2.951 11.260 4.201 1.00 64.43 H new ATOM 716 N VAL A 49 3.230 8.660 2.333 1.00 31.21 N ATOM 717 CA VAL A 49 3.240 7.191 2.268 1.00 60.12 C ATOM 718 C VAL A 49 4.320 6.730 1.278 1.00 72.35 C ATOM 719 O VAL A 49 4.913 5.661 1.461 1.00 45.54 O ATOM 720 CB VAL A 49 1.856 6.618 1.870 1.00 54.11 C ATOM 721 CG1 VAL A 49 1.828 5.083 1.976 1.00 22.44 C ATOM 722 CG2 VAL A 49 0.722 7.128 2.763 1.00 60.22 C ATOM 0 H VAL A 49 2.345 9.090 2.065 1.00 31.21 H new ATOM 0 HA VAL A 49 3.468 6.809 3.263 1.00 60.12 H new ATOM 0 HB VAL A 49 1.705 6.951 0.843 1.00 54.11 H new ATOM 0 HG11 VAL A 49 0.842 4.716 1.689 1.00 22.44 H new ATOM 0 HG12 VAL A 49 2.580 4.659 1.311 1.00 22.44 H new ATOM 0 HG13 VAL A 49 2.041 4.785 3.003 1.00 22.44 H new ATOM 0 HG21 VAL A 49 -0.222 6.693 2.436 1.00 60.22 H new ATOM 0 HG22 VAL A 49 0.916 6.841 3.797 1.00 60.22 H new ATOM 0 HG23 VAL A 49 0.664 8.214 2.693 1.00 60.22 H new ATOM 732 N MET A 50 4.598 7.523 0.232 1.00 44.11 N ATOM 733 CA MET A 50 5.620 7.170 -0.738 1.00 62.34 C ATOM 734 C MET A 50 6.980 7.108 -0.056 1.00 53.51 C ATOM 735 O MET A 50 7.709 6.151 -0.293 1.00 10.21 O ATOM 736 CB MET A 50 5.634 8.109 -1.955 1.00 4.42 C ATOM 737 CG MET A 50 4.286 8.214 -2.684 1.00 42.42 C ATOM 738 SD MET A 50 3.916 6.967 -3.954 1.00 61.44 S ATOM 739 CE MET A 50 3.938 5.392 -3.056 1.00 12.23 C ATOM 0 H MET A 50 4.126 8.408 0.045 1.00 44.11 H new ATOM 0 HA MET A 50 5.379 6.183 -1.131 1.00 62.34 H new ATOM 0 HB2 MET A 50 5.936 9.104 -1.629 1.00 4.42 H new ATOM 0 HB3 MET A 50 6.389 7.761 -2.660 1.00 4.42 H new ATOM 0 HG2 MET A 50 3.495 8.175 -1.935 1.00 42.42 H new ATOM 0 HG3 MET A 50 4.233 9.197 -3.153 1.00 42.42 H new ATOM 0 HE1 MET A 50 3.487 4.615 -3.673 1.00 12.23 H new ATOM 0 HE2 MET A 50 4.968 5.120 -2.824 1.00 12.23 H new ATOM 0 HE3 MET A 50 3.372 5.493 -2.130 1.00 12.23 H new ATOM 749 N ARG A 51 7.322 8.061 0.818 1.00 60.31 N ATOM 750 CA ARG A 51 8.586 8.003 1.540 1.00 44.11 C ATOM 751 C ARG A 51 8.631 6.801 2.470 1.00 53.44 C ATOM 752 O ARG A 51 9.667 6.135 2.513 1.00 41.24 O ATOM 753 CB ARG A 51 8.853 9.317 2.293 1.00 54.34 C ATOM 754 CG ARG A 51 9.833 10.149 1.462 1.00 61.32 C ATOM 755 CD ARG A 51 10.414 11.328 2.247 1.00 1.52 C ATOM 756 NE ARG A 51 11.386 12.050 1.409 1.00 20.44 N ATOM 757 CZ ARG A 51 11.083 12.822 0.360 1.00 31.35 C ATOM 758 NH1 ARG A 51 9.828 13.144 0.086 1.00 52.54 N ATOM 759 NH2 ARG A 51 12.050 13.287 -0.420 1.00 72.40 N ATOM 0 H ARG A 51 6.744 8.872 1.037 1.00 60.31 H new ATOM 0 HA ARG A 51 9.386 7.878 0.810 1.00 44.11 H new ATOM 0 HB2 ARG A 51 7.923 9.864 2.446 1.00 54.34 H new ATOM 0 HB3 ARG A 51 9.268 9.113 3.280 1.00 54.34 H new ATOM 0 HG2 ARG A 51 10.646 9.510 1.118 1.00 61.32 H new ATOM 0 HG3 ARG A 51 9.324 10.524 0.574 1.00 61.32 H new ATOM 0 HD2 ARG A 51 9.614 12.001 2.556 1.00 1.52 H new ATOM 0 HD3 ARG A 51 10.898 10.970 3.156 1.00 1.52 H new ATOM 0 HE ARG A 51 12.373 11.953 1.649 1.00 20.44 H new ATOM 0 HH11 ARG A 51 9.072 12.802 0.680 1.00 52.54 H new ATOM 0 HH12 ARG A 51 9.617 13.734 -0.719 1.00 52.54 H new ATOM 0 HH21 ARG A 51 13.023 13.056 -0.219 1.00 72.40 H new ATOM 0 HH22 ARG A 51 11.821 13.876 -1.221 1.00 72.40 H new ATOM 773 N LYS A 52 7.529 6.473 3.160 1.00 52.23 N ATOM 774 CA LYS A 52 7.503 5.304 4.042 1.00 40.45 C ATOM 775 C LYS A 52 7.949 4.060 3.290 1.00 63.32 C ATOM 776 O LYS A 52 8.749 3.289 3.819 1.00 4.10 O ATOM 777 CB LYS A 52 6.123 5.116 4.705 1.00 62.25 C ATOM 778 CG LYS A 52 6.140 3.958 5.724 1.00 34.23 C ATOM 779 CD LYS A 52 5.734 2.573 5.195 1.00 62.22 C ATOM 780 CE LYS A 52 6.645 1.445 5.709 1.00 55.21 C ATOM 781 NZ LYS A 52 6.870 1.477 7.168 1.00 53.51 N ATOM 0 H LYS A 52 6.654 6.996 3.124 1.00 52.23 H new ATOM 0 HA LYS A 52 8.212 5.476 4.852 1.00 40.45 H new ATOM 0 HB2 LYS A 52 5.830 6.039 5.206 1.00 62.25 H new ATOM 0 HB3 LYS A 52 5.374 4.917 3.939 1.00 62.25 H new ATOM 0 HG2 LYS A 52 7.145 3.883 6.139 1.00 34.23 H new ATOM 0 HG3 LYS A 52 5.474 4.218 6.547 1.00 34.23 H new ATOM 0 HD2 LYS A 52 4.705 2.365 5.489 1.00 62.22 H new ATOM 0 HD3 LYS A 52 5.758 2.585 4.105 1.00 62.22 H new ATOM 0 HE2 LYS A 52 6.205 0.485 5.440 1.00 55.21 H new ATOM 0 HE3 LYS A 52 7.607 1.508 5.201 1.00 55.21 H new ATOM 0 HZ1 LYS A 52 7.189 0.541 7.491 1.00 53.51 H new ATOM 0 HZ2 LYS A 52 7.597 2.187 7.392 1.00 53.51 H new ATOM 0 HZ3 LYS A 52 5.983 1.726 7.651 1.00 53.51 H new ATOM 795 N VAL A 53 7.409 3.830 2.092 1.00 24.04 N ATOM 796 CA VAL A 53 7.716 2.619 1.352 1.00 13.53 C ATOM 797 C VAL A 53 9.058 2.735 0.624 1.00 64.40 C ATOM 798 O VAL A 53 9.794 1.751 0.586 1.00 50.31 O ATOM 799 CB VAL A 53 6.517 2.263 0.452 1.00 11.32 C ATOM 800 CG1 VAL A 53 6.286 3.199 -0.742 1.00 30.42 C ATOM 801 CG2 VAL A 53 6.636 0.826 -0.043 1.00 10.44 C ATOM 0 H VAL A 53 6.763 4.464 1.622 1.00 24.04 H new ATOM 0 HA VAL A 53 7.856 1.779 2.032 1.00 13.53 H new ATOM 0 HB VAL A 53 5.645 2.389 1.093 1.00 11.32 H new ATOM 0 HG11 VAL A 53 5.419 2.859 -1.309 1.00 30.42 H new ATOM 0 HG12 VAL A 53 6.109 4.212 -0.381 1.00 30.42 H new ATOM 0 HG13 VAL A 53 7.166 3.192 -1.386 1.00 30.42 H new ATOM 0 HG21 VAL A 53 5.782 0.588 -0.678 1.00 10.44 H new ATOM 0 HG22 VAL A 53 7.557 0.714 -0.616 1.00 10.44 H new ATOM 0 HG23 VAL A 53 6.654 0.148 0.810 1.00 10.44 H new ATOM 811 N LEU A 54 9.395 3.891 0.048 1.00 23.44 N ATOM 812 CA LEU A 54 10.596 4.066 -0.765 1.00 44.22 C ATOM 813 C LEU A 54 11.856 3.967 0.089 1.00 24.01 C ATOM 814 O LEU A 54 12.840 3.379 -0.364 1.00 22.32 O ATOM 815 CB LEU A 54 10.544 5.402 -1.532 1.00 30.12 C ATOM 816 CG LEU A 54 9.617 5.356 -2.764 1.00 21.43 C ATOM 817 CD1 LEU A 54 9.266 6.767 -3.242 1.00 23.34 C ATOM 818 CD2 LEU A 54 10.252 4.589 -3.930 1.00 45.42 C ATOM 0 H LEU A 54 8.835 4.739 0.135 1.00 23.44 H new ATOM 0 HA LEU A 54 10.631 3.259 -1.497 1.00 44.22 H new ATOM 0 HB2 LEU A 54 10.204 6.188 -0.858 1.00 30.12 H new ATOM 0 HB3 LEU A 54 11.551 5.670 -1.852 1.00 30.12 H new ATOM 0 HG LEU A 54 8.712 4.836 -2.449 1.00 21.43 H new ATOM 0 HD11 LEU A 54 8.612 6.704 -4.111 1.00 23.34 H new ATOM 0 HD12 LEU A 54 8.757 7.306 -2.443 1.00 23.34 H new ATOM 0 HD13 LEU A 54 10.179 7.297 -3.513 1.00 23.34 H new ATOM 0 HD21 LEU A 54 9.566 4.581 -4.777 1.00 45.42 H new ATOM 0 HD22 LEU A 54 11.183 5.076 -4.222 1.00 45.42 H new ATOM 0 HD23 LEU A 54 10.460 3.564 -3.621 1.00 45.42 H new ATOM 830 N GLY A 55 11.827 4.487 1.320 1.00 31.04 N ATOM 831 CA GLY A 55 12.915 4.299 2.268 1.00 21.12 C ATOM 832 C GLY A 55 13.045 2.821 2.617 1.00 65.23 C ATOM 833 O GLY A 55 14.130 2.245 2.533 1.00 63.22 O ATOM 0 H GLY A 55 11.052 5.045 1.680 1.00 31.04 H new ATOM 0 HA2 GLY A 55 13.849 4.665 1.841 1.00 21.12 H new ATOM 0 HA3 GLY A 55 12.728 4.880 3.171 1.00 21.12 H new ATOM 837 N ASP A 56 11.938 2.165 2.970 1.00 34.23 N ATOM 838 CA ASP A 56 11.966 0.764 3.400 1.00 63.14 C ATOM 839 C ASP A 56 12.257 -0.202 2.243 1.00 34.03 C ATOM 840 O ASP A 56 12.550 -1.376 2.481 1.00 50.24 O ATOM 841 CB ASP A 56 10.638 0.381 4.082 1.00 5.53 C ATOM 842 CG ASP A 56 10.632 0.493 5.608 1.00 75.14 C ATOM 843 OD1 ASP A 56 11.686 0.790 6.221 1.00 14.45 O ATOM 844 OD2 ASP A 56 9.590 0.174 6.216 1.00 11.31 O ATOM 0 H ASP A 56 11.007 2.583 2.967 1.00 34.23 H new ATOM 0 HA ASP A 56 12.783 0.672 4.115 1.00 63.14 H new ATOM 0 HB2 ASP A 56 9.847 1.017 3.684 1.00 5.53 H new ATOM 0 HB3 ASP A 56 10.390 -0.645 3.808 1.00 5.53 H new ATOM 849 N LEU A 57 12.154 0.242 0.987 1.00 43.52 N ATOM 850 CA LEU A 57 12.524 -0.554 -0.179 1.00 72.04 C ATOM 851 C LEU A 57 14.030 -0.530 -0.387 1.00 34.23 C ATOM 852 O LEU A 57 14.527 -1.453 -1.015 1.00 31.14 O ATOM 853 CB LEU A 57 11.836 -0.048 -1.463 1.00 74.02 C ATOM 854 CG LEU A 57 10.455 -0.674 -1.729 1.00 70.32 C ATOM 855 CD1 LEU A 57 9.761 0.090 -2.852 1.00 30.01 C ATOM 856 CD2 LEU A 57 10.508 -2.151 -2.147 1.00 70.13 C ATOM 0 H LEU A 57 11.808 1.172 0.753 1.00 43.52 H new ATOM 0 HA LEU A 57 12.191 -1.573 0.016 1.00 72.04 H new ATOM 0 HB2 LEU A 57 11.725 1.035 -1.400 1.00 74.02 H new ATOM 0 HB3 LEU A 57 12.485 -0.253 -2.314 1.00 74.02 H new ATOM 0 HG LEU A 57 9.916 -0.613 -0.784 1.00 70.32 H new ATOM 0 HD11 LEU A 57 8.783 -0.352 -3.042 1.00 30.01 H new ATOM 0 HD12 LEU A 57 9.638 1.133 -2.560 1.00 30.01 H new ATOM 0 HD13 LEU A 57 10.366 0.035 -3.757 1.00 30.01 H new ATOM 0 HD21 LEU A 57 9.496 -2.518 -2.316 1.00 70.13 H new ATOM 0 HD22 LEU A 57 11.087 -2.249 -3.065 1.00 70.13 H new ATOM 0 HD23 LEU A 57 10.979 -2.736 -1.357 1.00 70.13 H new ATOM 868 N ASP A 58 14.765 0.468 0.112 1.00 42.43 N ATOM 869 CA ASP A 58 16.224 0.521 -0.030 1.00 42.52 C ATOM 870 C ASP A 58 16.648 0.372 -1.509 1.00 4.11 C ATOM 871 O ASP A 58 17.623 -0.309 -1.839 1.00 22.12 O ATOM 872 CB ASP A 58 16.829 -0.547 0.898 1.00 3.33 C ATOM 873 CG ASP A 58 18.342 -0.463 1.104 1.00 30.45 C ATOM 874 OD1 ASP A 58 18.983 0.559 0.788 1.00 11.33 O ATOM 875 OD2 ASP A 58 18.871 -1.482 1.620 1.00 1.43 O ATOM 0 H ASP A 58 14.369 1.257 0.623 1.00 42.43 H new ATOM 0 HA ASP A 58 16.609 1.495 0.273 1.00 42.52 H new ATOM 0 HB2 ASP A 58 16.343 -0.474 1.871 1.00 3.33 H new ATOM 0 HB3 ASP A 58 16.589 -1.531 0.495 1.00 3.33 H new ATOM 880 N GLY A 59 15.866 0.957 -2.428 1.00 64.22 N ATOM 881 CA GLY A 59 16.086 0.937 -3.876 1.00 31.33 C ATOM 882 C GLY A 59 15.434 -0.245 -4.607 1.00 62.42 C ATOM 883 O GLY A 59 15.585 -0.366 -5.825 1.00 65.13 O ATOM 0 H GLY A 59 15.028 1.478 -2.168 1.00 64.22 H new ATOM 0 HA2 GLY A 59 15.704 1.865 -4.301 1.00 31.33 H new ATOM 0 HA3 GLY A 59 17.159 0.917 -4.067 1.00 31.33 H new ATOM 887 N LYS A 60 14.723 -1.142 -3.906 1.00 51.20 N ATOM 888 CA LYS A 60 14.355 -2.455 -4.418 1.00 61.44 C ATOM 889 C LYS A 60 13.414 -2.429 -5.620 1.00 24.41 C ATOM 890 O LYS A 60 13.349 -3.450 -6.303 1.00 61.44 O ATOM 891 CB LYS A 60 13.732 -3.280 -3.303 1.00 61.40 C ATOM 892 CG LYS A 60 14.736 -4.175 -2.566 1.00 50.53 C ATOM 893 CD LYS A 60 14.022 -5.012 -1.499 1.00 1.44 C ATOM 894 CE LYS A 60 14.954 -6.043 -0.857 1.00 21.31 C ATOM 895 NZ LYS A 60 15.911 -5.432 0.086 1.00 62.33 N ATOM 0 H LYS A 60 14.388 -0.966 -2.959 1.00 51.20 H new ATOM 0 HA LYS A 60 15.281 -2.905 -4.774 1.00 61.44 H new ATOM 0 HB2 LYS A 60 13.262 -2.608 -2.585 1.00 61.40 H new ATOM 0 HB3 LYS A 60 12.942 -3.903 -3.722 1.00 61.40 H new ATOM 0 HG2 LYS A 60 15.238 -4.832 -3.277 1.00 50.53 H new ATOM 0 HG3 LYS A 60 15.507 -3.561 -2.100 1.00 50.53 H new ATOM 0 HD2 LYS A 60 13.625 -4.353 -0.727 1.00 1.44 H new ATOM 0 HD3 LYS A 60 13.171 -5.524 -1.949 1.00 1.44 H new ATOM 0 HE2 LYS A 60 14.358 -6.789 -0.332 1.00 21.31 H new ATOM 0 HE3 LYS A 60 15.504 -6.567 -1.639 1.00 21.31 H new ATOM 0 HZ1 LYS A 60 16.518 -6.172 0.493 1.00 62.33 H new ATOM 0 HZ2 LYS A 60 16.500 -4.739 -0.418 1.00 62.33 H new ATOM 0 HZ3 LYS A 60 15.390 -4.954 0.849 1.00 62.33 H new ATOM 909 N ARG A 61 12.665 -1.355 -5.871 1.00 42.11 N ATOM 910 CA ARG A 61 11.936 -1.161 -7.125 1.00 41.21 C ATOM 911 C ARG A 61 12.040 0.315 -7.503 1.00 63.13 C ATOM 912 O ARG A 61 12.087 1.147 -6.594 1.00 3.34 O ATOM 913 CB ARG A 61 10.470 -1.631 -7.023 1.00 63.31 C ATOM 914 CG ARG A 61 10.290 -3.152 -6.890 1.00 61.22 C ATOM 915 CD ARG A 61 10.779 -3.955 -8.106 1.00 72.22 C ATOM 916 NE ARG A 61 10.863 -5.388 -7.800 1.00 1.31 N ATOM 917 CZ ARG A 61 9.878 -6.288 -7.844 1.00 71.40 C ATOM 918 NH1 ARG A 61 8.656 -5.976 -8.276 1.00 44.43 N ATOM 919 NH2 ARG A 61 10.160 -7.522 -7.434 1.00 51.50 N ATOM 0 H ARG A 61 12.546 -0.591 -5.206 1.00 42.11 H new ATOM 0 HA ARG A 61 12.381 -1.775 -7.908 1.00 41.21 H new ATOM 0 HB2 ARG A 61 10.007 -1.148 -6.163 1.00 63.31 H new ATOM 0 HB3 ARG A 61 9.932 -1.291 -7.908 1.00 63.31 H new ATOM 0 HG2 ARG A 61 10.826 -3.494 -6.004 1.00 61.22 H new ATOM 0 HG3 ARG A 61 9.234 -3.368 -6.727 1.00 61.22 H new ATOM 0 HD2 ARG A 61 10.100 -3.799 -8.944 1.00 72.22 H new ATOM 0 HD3 ARG A 61 11.758 -3.589 -8.416 1.00 72.22 H new ATOM 0 HE ARG A 61 11.780 -5.737 -7.521 1.00 1.31 H new ATOM 0 HH11 ARG A 61 8.452 -5.026 -8.586 1.00 44.43 H new ATOM 0 HH12 ARG A 61 7.925 -6.687 -8.297 1.00 44.43 H new ATOM 0 HH21 ARG A 61 11.098 -7.748 -7.104 1.00 51.50 H new ATOM 0 HH22 ARG A 61 9.438 -8.242 -7.450 1.00 51.50 H new ATOM 933 N PRO A 62 12.028 0.663 -8.802 1.00 14.45 N ATOM 934 CA PRO A 62 12.085 2.053 -9.233 1.00 44.43 C ATOM 935 C PRO A 62 10.873 2.820 -8.727 1.00 45.43 C ATOM 936 O PRO A 62 9.774 2.268 -8.663 1.00 54.52 O ATOM 937 CB PRO A 62 12.103 2.028 -10.763 1.00 42.53 C ATOM 938 CG PRO A 62 11.593 0.639 -11.139 1.00 5.54 C ATOM 939 CD PRO A 62 11.964 -0.233 -9.945 1.00 24.01 C ATOM 0 HA PRO A 62 12.968 2.553 -8.835 1.00 44.43 H new ATOM 0 HB2 PRO A 62 11.466 2.809 -11.178 1.00 42.53 H new ATOM 0 HB3 PRO A 62 13.108 2.198 -11.149 1.00 42.53 H new ATOM 0 HG2 PRO A 62 10.516 0.643 -11.310 1.00 5.54 H new ATOM 0 HG3 PRO A 62 12.060 0.278 -12.056 1.00 5.54 H new ATOM 0 HD2 PRO A 62 11.222 -1.015 -9.787 1.00 24.01 H new ATOM 0 HD3 PRO A 62 12.921 -0.729 -10.106 1.00 24.01 H new ATOM 947 N GLU A 63 11.052 4.110 -8.439 1.00 25.42 N ATOM 948 CA GLU A 63 9.977 4.956 -7.938 1.00 45.24 C ATOM 949 C GLU A 63 8.788 4.979 -8.904 1.00 30.03 C ATOM 950 O GLU A 63 7.647 5.007 -8.450 1.00 53.23 O ATOM 951 CB GLU A 63 10.524 6.356 -7.624 1.00 24.23 C ATOM 952 CG GLU A 63 9.426 7.273 -7.053 1.00 3.24 C ATOM 953 CD GLU A 63 9.918 8.489 -6.259 1.00 23.13 C ATOM 954 OE1 GLU A 63 11.131 8.606 -5.984 1.00 32.15 O ATOM 955 OE2 GLU A 63 9.046 9.301 -5.862 1.00 50.41 O ATOM 0 H GLU A 63 11.944 4.593 -8.547 1.00 25.42 H new ATOM 0 HA GLU A 63 9.593 4.538 -7.008 1.00 45.24 H new ATOM 0 HB2 GLU A 63 11.342 6.277 -6.908 1.00 24.23 H new ATOM 0 HB3 GLU A 63 10.935 6.799 -8.531 1.00 24.23 H new ATOM 0 HG2 GLU A 63 8.809 7.627 -7.879 1.00 3.24 H new ATOM 0 HG3 GLU A 63 8.781 6.677 -6.407 1.00 3.24 H new ATOM 962 N ALA A 64 9.032 4.885 -10.214 1.00 64.12 N ATOM 963 CA ALA A 64 7.980 4.740 -11.216 1.00 25.14 C ATOM 964 C ALA A 64 7.078 3.539 -10.928 1.00 73.23 C ATOM 965 O ALA A 64 5.856 3.689 -10.938 1.00 13.53 O ATOM 966 CB ALA A 64 8.588 4.612 -12.614 1.00 4.50 C ATOM 0 H ALA A 64 9.972 4.908 -10.609 1.00 64.12 H new ATOM 0 HA ALA A 64 7.364 5.638 -11.170 1.00 25.14 H new ATOM 0 HB1 ALA A 64 7.790 4.505 -13.349 1.00 4.50 H new ATOM 0 HB2 ALA A 64 9.172 5.504 -12.840 1.00 4.50 H new ATOM 0 HB3 ALA A 64 9.235 3.736 -12.650 1.00 4.50 H new ATOM 972 N GLU A 65 7.653 2.356 -10.695 1.00 21.20 N ATOM 973 CA GLU A 65 6.903 1.160 -10.361 1.00 5.33 C ATOM 974 C GLU A 65 6.195 1.359 -9.025 1.00 10.42 C ATOM 975 O GLU A 65 4.993 1.145 -8.939 1.00 14.31 O ATOM 976 CB GLU A 65 7.860 -0.043 -10.341 1.00 31.22 C ATOM 977 CG GLU A 65 7.104 -1.362 -10.167 1.00 74.32 C ATOM 978 CD GLU A 65 8.002 -2.608 -10.184 1.00 45.52 C ATOM 979 OE1 GLU A 65 9.132 -2.558 -10.736 1.00 33.14 O ATOM 980 OE2 GLU A 65 7.593 -3.656 -9.646 1.00 21.20 O ATOM 0 H GLU A 65 8.662 2.209 -10.735 1.00 21.20 H new ATOM 0 HA GLU A 65 6.136 0.964 -11.110 1.00 5.33 H new ATOM 0 HB2 GLU A 65 8.431 -0.070 -11.269 1.00 31.22 H new ATOM 0 HB3 GLU A 65 8.577 0.076 -9.529 1.00 31.22 H new ATOM 0 HG2 GLU A 65 6.558 -1.334 -9.224 1.00 74.32 H new ATOM 0 HG3 GLU A 65 6.363 -1.451 -10.961 1.00 74.32 H new ATOM 987 N VAL A 66 6.922 1.777 -7.989 1.00 3.53 N ATOM 988 CA VAL A 66 6.420 1.874 -6.621 1.00 44.41 C ATOM 989 C VAL A 66 5.230 2.831 -6.556 1.00 50.52 C ATOM 990 O VAL A 66 4.170 2.465 -6.037 1.00 50.24 O ATOM 991 CB VAL A 66 7.569 2.307 -5.689 1.00 12.10 C ATOM 992 CG1 VAL A 66 7.114 2.475 -4.231 1.00 4.20 C ATOM 993 CG2 VAL A 66 8.702 1.274 -5.707 1.00 54.31 C ATOM 0 H VAL A 66 7.897 2.063 -8.081 1.00 3.53 H new ATOM 0 HA VAL A 66 6.061 0.901 -6.286 1.00 44.41 H new ATOM 0 HB VAL A 66 7.913 3.269 -6.068 1.00 12.10 H new ATOM 0 HG11 VAL A 66 7.962 2.781 -3.618 1.00 4.20 H new ATOM 0 HG12 VAL A 66 6.335 3.236 -4.178 1.00 4.20 H new ATOM 0 HG13 VAL A 66 6.722 1.528 -3.861 1.00 4.20 H new ATOM 0 HG21 VAL A 66 9.502 1.600 -5.042 1.00 54.31 H new ATOM 0 HG22 VAL A 66 8.321 0.310 -5.370 1.00 54.31 H new ATOM 0 HG23 VAL A 66 9.090 1.177 -6.721 1.00 54.31 H new ATOM 1003 N ARG A 67 5.386 4.055 -7.070 1.00 22.30 N ATOM 1004 CA ARG A 67 4.326 5.045 -6.995 1.00 12.23 C ATOM 1005 C ARG A 67 3.159 4.609 -7.862 1.00 42.15 C ATOM 1006 O ARG A 67 2.033 4.634 -7.381 1.00 51.52 O ATOM 1007 CB ARG A 67 4.854 6.459 -7.291 1.00 74.13 C ATOM 1008 CG ARG A 67 4.949 6.827 -8.776 1.00 43.15 C ATOM 1009 CD ARG A 67 5.959 7.939 -9.049 1.00 34.03 C ATOM 1010 NE ARG A 67 5.926 9.069 -8.115 1.00 64.44 N ATOM 1011 CZ ARG A 67 6.807 10.070 -8.121 1.00 11.34 C ATOM 1012 NH1 ARG A 67 7.770 10.108 -9.041 1.00 71.05 N ATOM 1013 NH2 ARG A 67 6.670 11.050 -7.238 1.00 5.20 N ATOM 0 H ARG A 67 6.234 4.375 -7.538 1.00 22.30 H new ATOM 0 HA ARG A 67 3.946 5.107 -5.975 1.00 12.23 H new ATOM 0 HB2 ARG A 67 4.206 7.182 -6.796 1.00 74.13 H new ATOM 0 HB3 ARG A 67 5.843 6.560 -6.845 1.00 74.13 H new ATOM 0 HG2 ARG A 67 5.228 5.942 -9.347 1.00 43.15 H new ATOM 0 HG3 ARG A 67 3.967 7.140 -9.131 1.00 43.15 H new ATOM 0 HD2 ARG A 67 6.960 7.508 -9.034 1.00 34.03 H new ATOM 0 HD3 ARG A 67 5.791 8.319 -10.057 1.00 34.03 H new ATOM 0 HE ARG A 67 5.183 9.091 -7.417 1.00 64.44 H new ATOM 0 HH11 ARG A 67 7.834 9.370 -9.743 1.00 71.05 H new ATOM 0 HH12 ARG A 67 8.443 10.875 -9.044 1.00 71.05 H new ATOM 0 HH21 ARG A 67 5.900 11.030 -6.569 1.00 5.20 H new ATOM 0 HH22 ARG A 67 7.334 11.824 -7.228 1.00 5.20 H new ATOM 1027 N ALA A 68 3.396 4.112 -9.082 1.00 22.21 N ATOM 1028 CA ALA A 68 2.303 3.675 -9.935 1.00 42.43 C ATOM 1029 C ALA A 68 1.575 2.471 -9.351 1.00 4.40 C ATOM 1030 O ALA A 68 0.370 2.342 -9.578 1.00 30.20 O ATOM 1031 CB ALA A 68 2.799 3.344 -11.336 1.00 41.32 C ATOM 0 H ALA A 68 4.325 4.006 -9.490 1.00 22.21 H new ATOM 0 HA ALA A 68 1.599 4.505 -9.994 1.00 42.43 H new ATOM 0 HB1 ALA A 68 1.960 3.020 -11.952 1.00 41.32 H new ATOM 0 HB2 ALA A 68 3.254 4.230 -11.780 1.00 41.32 H new ATOM 0 HB3 ALA A 68 3.538 2.545 -11.281 1.00 41.32 H new ATOM 1037 N LYS A 69 2.263 1.605 -8.598 1.00 23.12 N ATOM 1038 CA LYS A 69 1.646 0.509 -7.866 1.00 25.44 C ATOM 1039 C LYS A 69 0.585 1.086 -6.949 1.00 30.13 C ATOM 1040 O LYS A 69 -0.553 0.626 -7.007 1.00 11.04 O ATOM 1041 CB LYS A 69 2.695 -0.292 -7.063 1.00 61.25 C ATOM 1042 CG LYS A 69 2.172 -1.661 -6.608 1.00 53.42 C ATOM 1043 CD LYS A 69 2.369 -2.691 -7.724 1.00 4.13 C ATOM 1044 CE LYS A 69 1.651 -4.007 -7.420 1.00 12.12 C ATOM 1045 NZ LYS A 69 0.558 -4.262 -8.375 1.00 43.14 N ATOM 0 H LYS A 69 3.275 1.652 -8.483 1.00 23.12 H new ATOM 0 HA LYS A 69 1.189 -0.187 -8.569 1.00 25.44 H new ATOM 0 HB2 LYS A 69 3.586 -0.433 -7.675 1.00 61.25 H new ATOM 0 HB3 LYS A 69 2.997 0.286 -6.190 1.00 61.25 H new ATOM 0 HG2 LYS A 69 2.699 -1.981 -5.709 1.00 53.42 H new ATOM 0 HG3 LYS A 69 1.115 -1.589 -6.350 1.00 53.42 H new ATOM 0 HD2 LYS A 69 1.997 -2.283 -8.664 1.00 4.13 H new ATOM 0 HD3 LYS A 69 3.434 -2.881 -7.858 1.00 4.13 H new ATOM 0 HE2 LYS A 69 2.366 -4.829 -7.456 1.00 12.12 H new ATOM 0 HE3 LYS A 69 1.250 -3.978 -6.407 1.00 12.12 H new ATOM 0 HZ1 LYS A 69 0.094 -5.162 -8.139 1.00 43.14 H new ATOM 0 HZ2 LYS A 69 -0.136 -3.490 -8.322 1.00 43.14 H new ATOM 0 HZ3 LYS A 69 0.945 -4.314 -9.339 1.00 43.14 H new ATOM 1059 N TYR A 70 0.964 2.069 -6.129 1.00 51.11 N ATOM 1060 CA TYR A 70 0.150 2.699 -5.100 1.00 61.03 C ATOM 1061 C TYR A 70 -0.950 3.580 -5.689 1.00 2.13 C ATOM 1062 O TYR A 70 -2.123 3.348 -5.413 1.00 53.05 O ATOM 1063 CB TYR A 70 1.059 3.526 -4.194 1.00 10.10 C ATOM 1064 CG TYR A 70 0.333 4.105 -3.003 1.00 4.12 C ATOM 1065 CD1 TYR A 70 0.192 3.348 -1.825 1.00 61.03 C ATOM 1066 CD2 TYR A 70 -0.240 5.388 -3.086 1.00 13.23 C ATOM 1067 CE1 TYR A 70 -0.424 3.911 -0.704 1.00 10.24 C ATOM 1068 CE2 TYR A 70 -0.930 5.919 -1.985 1.00 71.23 C ATOM 1069 CZ TYR A 70 -0.969 5.209 -0.772 1.00 10.54 C ATOM 1070 OH TYR A 70 -1.600 5.719 0.314 1.00 14.13 O ATOM 0 H TYR A 70 1.903 2.466 -6.172 1.00 51.11 H new ATOM 0 HA TYR A 70 -0.347 1.915 -4.529 1.00 61.03 H new ATOM 0 HB2 TYR A 70 1.880 2.901 -3.844 1.00 10.10 H new ATOM 0 HB3 TYR A 70 1.500 4.337 -4.773 1.00 10.10 H new ATOM 0 HD1 TYR A 70 0.559 2.333 -1.787 1.00 61.03 H new ATOM 0 HD2 TYR A 70 -0.149 5.963 -3.996 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -0.483 3.350 0.217 1.00 10.24 H new ATOM 0 HE2 TYR A 70 -1.431 6.872 -2.070 1.00 71.23 H new ATOM 0 HH TYR A 70 -1.570 5.068 1.046 1.00 14.13 H new ATOM 1080 N GLU A 71 -0.588 4.562 -6.516 1.00 50.04 N ATOM 1081 CA GLU A 71 -1.515 5.501 -7.138 1.00 74.25 C ATOM 1082 C GLU A 71 -2.548 4.728 -7.963 1.00 54.25 C ATOM 1083 O GLU A 71 -3.736 5.072 -7.976 1.00 23.42 O ATOM 1084 CB GLU A 71 -0.750 6.510 -8.018 1.00 22.11 C ATOM 1085 CG GLU A 71 0.096 7.480 -7.174 1.00 62.13 C ATOM 1086 CD GLU A 71 0.739 8.606 -7.998 1.00 33.13 C ATOM 1087 OE1 GLU A 71 -0.013 9.409 -8.606 1.00 50.42 O ATOM 1088 OE2 GLU A 71 1.988 8.722 -8.015 1.00 24.03 O ATOM 0 H GLU A 71 0.384 4.728 -6.777 1.00 50.04 H new ATOM 0 HA GLU A 71 -2.035 6.063 -6.362 1.00 74.25 H new ATOM 0 HB2 GLU A 71 -0.103 5.971 -8.710 1.00 22.11 H new ATOM 0 HB3 GLU A 71 -1.459 7.077 -8.621 1.00 22.11 H new ATOM 0 HG2 GLU A 71 -0.533 7.920 -6.400 1.00 62.13 H new ATOM 0 HG3 GLU A 71 0.880 6.919 -6.666 1.00 62.13 H new ATOM 1095 N GLY A 72 -2.124 3.631 -8.599 1.00 21.11 N ATOM 1096 CA GLY A 72 -2.981 2.732 -9.345 1.00 62.21 C ATOM 1097 C GLY A 72 -3.952 1.990 -8.441 1.00 33.33 C ATOM 1098 O GLY A 72 -5.118 1.787 -8.796 1.00 51.01 O ATOM 0 H GLY A 72 -1.145 3.344 -8.603 1.00 21.11 H new ATOM 0 HA2 GLY A 72 -3.540 3.299 -10.090 1.00 62.21 H new ATOM 0 HA3 GLY A 72 -2.367 2.012 -9.887 1.00 62.21 H new ATOM 1102 N LEU A 73 -3.494 1.652 -7.239 1.00 51.42 N ATOM 1103 CA LEU A 73 -4.110 0.715 -6.324 1.00 51.41 C ATOM 1104 C LEU A 73 -5.472 1.144 -5.816 1.00 10.40 C ATOM 1105 O LEU A 73 -6.148 0.299 -5.257 1.00 22.51 O ATOM 1106 CB LEU A 73 -3.192 0.484 -5.115 1.00 14.44 C ATOM 1107 CG LEU A 73 -3.057 -0.951 -4.583 1.00 65.14 C ATOM 1108 CD1 LEU A 73 -2.555 -1.961 -5.626 1.00 2.34 C ATOM 1109 CD2 LEU A 73 -1.945 -0.862 -3.529 1.00 52.12 C ATOM 0 H LEU A 73 -2.634 2.051 -6.863 1.00 51.42 H new ATOM 0 HA LEU A 73 -4.256 -0.199 -6.899 1.00 51.41 H new ATOM 0 HB2 LEU A 73 -2.196 0.839 -5.378 1.00 14.44 H new ATOM 0 HB3 LEU A 73 -3.549 1.112 -4.299 1.00 14.44 H new ATOM 0 HG LEU A 73 -4.034 -1.290 -4.240 1.00 65.14 H new ATOM 0 HD11 LEU A 73 -2.487 -2.950 -5.172 1.00 2.34 H new ATOM 0 HD12 LEU A 73 -3.250 -1.994 -6.465 1.00 2.34 H new ATOM 0 HD13 LEU A 73 -1.571 -1.657 -5.982 1.00 2.34 H new ATOM 0 HD21 LEU A 73 -1.778 -1.847 -3.092 1.00 52.12 H new ATOM 0 HD22 LEU A 73 -1.025 -0.513 -3.999 1.00 52.12 H new ATOM 0 HD23 LEU A 73 -2.240 -0.163 -2.746 1.00 52.12 H new ATOM 1121 N MET A 74 -5.912 2.390 -5.999 1.00 52.31 N ATOM 1122 CA MET A 74 -7.282 2.789 -5.688 1.00 42.01 C ATOM 1123 C MET A 74 -8.270 1.864 -6.408 1.00 34.41 C ATOM 1124 O MET A 74 -9.154 1.276 -5.783 1.00 32.50 O ATOM 1125 CB MET A 74 -7.496 4.251 -6.093 1.00 4.42 C ATOM 1126 CG MET A 74 -8.859 4.765 -5.626 1.00 30.34 C ATOM 1127 SD MET A 74 -9.081 4.816 -3.834 1.00 61.15 S ATOM 1128 CE MET A 74 -8.226 6.385 -3.589 1.00 51.35 C ATOM 0 H MET A 74 -5.332 3.145 -6.365 1.00 52.31 H new ATOM 0 HA MET A 74 -7.456 2.701 -4.616 1.00 42.01 H new ATOM 0 HB2 MET A 74 -6.706 4.868 -5.665 1.00 4.42 H new ATOM 0 HB3 MET A 74 -7.422 4.345 -7.176 1.00 4.42 H new ATOM 0 HG2 MET A 74 -9.008 5.769 -6.024 1.00 30.34 H new ATOM 0 HG3 MET A 74 -9.636 4.133 -6.056 1.00 30.34 H new ATOM 0 HE1 MET A 74 -8.261 6.657 -2.534 1.00 51.35 H new ATOM 0 HE2 MET A 74 -7.187 6.286 -3.904 1.00 51.35 H new ATOM 0 HE3 MET A 74 -8.713 7.161 -4.180 1.00 51.35 H new ATOM 1138 N ALA A 75 -8.082 1.699 -7.721 1.00 30.13 N ATOM 1139 CA ALA A 75 -8.918 0.859 -8.563 1.00 54.01 C ATOM 1140 C ALA A 75 -8.854 -0.593 -8.093 1.00 11.23 C ATOM 1141 O ALA A 75 -9.888 -1.225 -7.885 1.00 54.33 O ATOM 1142 CB ALA A 75 -8.448 0.998 -10.013 1.00 43.33 C ATOM 0 H ALA A 75 -7.328 2.158 -8.232 1.00 30.13 H new ATOM 0 HA ALA A 75 -9.959 1.176 -8.495 1.00 54.01 H new ATOM 0 HB1 ALA A 75 -9.066 0.373 -10.657 1.00 43.33 H new ATOM 0 HB2 ALA A 75 -8.535 2.039 -10.325 1.00 43.33 H new ATOM 0 HB3 ALA A 75 -7.408 0.681 -10.090 1.00 43.33 H new ATOM 1148 N VAL A 76 -7.636 -1.095 -7.895 1.00 30.22 N ATOM 1149 CA VAL A 76 -7.364 -2.469 -7.493 1.00 63.23 C ATOM 1150 C VAL A 76 -8.020 -2.744 -6.140 1.00 61.12 C ATOM 1151 O VAL A 76 -8.713 -3.740 -5.974 1.00 24.52 O ATOM 1152 CB VAL A 76 -5.839 -2.696 -7.447 1.00 50.04 C ATOM 1153 CG1 VAL A 76 -5.477 -4.176 -7.285 1.00 42.44 C ATOM 1154 CG2 VAL A 76 -5.127 -2.167 -8.708 1.00 70.35 C ATOM 0 H VAL A 76 -6.789 -0.539 -8.014 1.00 30.22 H new ATOM 0 HA VAL A 76 -7.786 -3.166 -8.217 1.00 63.23 H new ATOM 0 HB VAL A 76 -5.498 -2.137 -6.575 1.00 50.04 H new ATOM 0 HG11 VAL A 76 -4.393 -4.285 -7.258 1.00 42.44 H new ATOM 0 HG12 VAL A 76 -5.903 -4.555 -6.356 1.00 42.44 H new ATOM 0 HG13 VAL A 76 -5.877 -4.743 -8.126 1.00 42.44 H new ATOM 0 HG21 VAL A 76 -4.056 -2.351 -8.625 1.00 70.35 H new ATOM 0 HG22 VAL A 76 -5.517 -2.679 -9.588 1.00 70.35 H new ATOM 0 HG23 VAL A 76 -5.304 -1.096 -8.804 1.00 70.35 H new ATOM 1164 N ALA A 77 -7.838 -1.839 -5.177 1.00 30.50 N ATOM 1165 CA ALA A 77 -8.377 -1.937 -3.837 1.00 44.13 C ATOM 1166 C ALA A 77 -9.896 -2.086 -3.904 1.00 41.21 C ATOM 1167 O ALA A 77 -10.461 -2.967 -3.264 1.00 42.25 O ATOM 1168 CB ALA A 77 -7.992 -0.699 -3.019 1.00 53.45 C ATOM 0 H ALA A 77 -7.290 -0.991 -5.323 1.00 30.50 H new ATOM 0 HA ALA A 77 -7.958 -2.815 -3.345 1.00 44.13 H new ATOM 0 HB1 ALA A 77 -8.403 -0.785 -2.013 1.00 53.45 H new ATOM 0 HB2 ALA A 77 -6.906 -0.624 -2.962 1.00 53.45 H new ATOM 0 HB3 ALA A 77 -8.392 0.194 -3.500 1.00 53.45 H new ATOM 1174 N LYS A 78 -10.557 -1.214 -4.672 1.00 65.35 N ATOM 1175 CA LYS A 78 -11.998 -1.253 -4.867 1.00 14.23 C ATOM 1176 C LYS A 78 -12.429 -2.566 -5.495 1.00 71.25 C ATOM 1177 O LYS A 78 -13.368 -3.174 -4.985 1.00 51.13 O ATOM 1178 CB LYS A 78 -12.472 -0.081 -5.734 1.00 65.43 C ATOM 1179 CG LYS A 78 -12.584 1.237 -4.960 1.00 64.11 C ATOM 1180 CD LYS A 78 -13.203 2.323 -5.846 1.00 34.14 C ATOM 1181 CE LYS A 78 -14.707 2.110 -6.082 1.00 61.33 C ATOM 1182 NZ LYS A 78 -15.532 2.662 -4.989 1.00 25.11 N ATOM 0 H LYS A 78 -10.097 -0.457 -5.177 1.00 65.35 H new ATOM 0 HA LYS A 78 -12.460 -1.167 -3.884 1.00 14.23 H new ATOM 0 HB2 LYS A 78 -11.779 0.051 -6.565 1.00 65.43 H new ATOM 0 HB3 LYS A 78 -13.443 -0.326 -6.164 1.00 65.43 H new ATOM 0 HG2 LYS A 78 -13.195 1.093 -4.069 1.00 64.11 H new ATOM 0 HG3 LYS A 78 -11.597 1.553 -4.622 1.00 64.11 H new ATOM 0 HD2 LYS A 78 -13.046 3.297 -5.383 1.00 34.14 H new ATOM 0 HD3 LYS A 78 -12.688 2.340 -6.806 1.00 34.14 H new ATOM 0 HE2 LYS A 78 -14.994 2.579 -7.023 1.00 61.33 H new ATOM 0 HE3 LYS A 78 -14.909 1.044 -6.183 1.00 61.33 H new ATOM 0 HZ1 LYS A 78 -16.538 2.494 -5.194 1.00 25.11 H new ATOM 0 HZ2 LYS A 78 -15.279 2.197 -4.094 1.00 25.11 H new ATOM 0 HZ3 LYS A 78 -15.362 3.685 -4.908 1.00 25.11 H new ATOM 1196 N ALA A 79 -11.792 -2.977 -6.590 1.00 30.41 N ATOM 1197 CA ALA A 79 -12.158 -4.185 -7.308 1.00 2.33 C ATOM 1198 C ALA A 79 -12.041 -5.387 -6.376 1.00 2.21 C ATOM 1199 O ALA A 79 -12.983 -6.165 -6.273 1.00 12.00 O ATOM 1200 CB ALA A 79 -11.283 -4.352 -8.556 1.00 13.04 C ATOM 0 H ALA A 79 -11.005 -2.476 -7.002 1.00 30.41 H new ATOM 0 HA ALA A 79 -13.192 -4.110 -7.643 1.00 2.33 H new ATOM 0 HB1 ALA A 79 -11.570 -5.262 -9.083 1.00 13.04 H new ATOM 0 HB2 ALA A 79 -11.420 -3.494 -9.214 1.00 13.04 H new ATOM 0 HB3 ALA A 79 -10.236 -4.419 -8.260 1.00 13.04 H new ATOM 1206 N GLN A 80 -10.920 -5.505 -5.660 1.00 72.53 N ATOM 1207 CA GLN A 80 -10.683 -6.630 -4.772 1.00 13.32 C ATOM 1208 C GLN A 80 -11.674 -6.668 -3.607 1.00 63.51 C ATOM 1209 O GLN A 80 -11.982 -7.750 -3.140 1.00 21.13 O ATOM 1210 CB GLN A 80 -9.258 -6.594 -4.218 1.00 11.21 C ATOM 1211 CG GLN A 80 -8.167 -6.942 -5.250 1.00 50.05 C ATOM 1212 CD GLN A 80 -6.805 -7.092 -4.584 1.00 22.33 C ATOM 1213 OE1 GLN A 80 -6.719 -7.088 -3.359 1.00 64.45 O ATOM 1214 NE2 GLN A 80 -5.724 -7.222 -5.340 1.00 12.40 N ATOM 0 H GLN A 80 -10.160 -4.825 -5.684 1.00 72.53 H new ATOM 0 HA GLN A 80 -10.824 -7.531 -5.369 1.00 13.32 H new ATOM 0 HB2 GLN A 80 -9.061 -5.599 -3.820 1.00 11.21 H new ATOM 0 HB3 GLN A 80 -9.188 -7.291 -3.383 1.00 11.21 H new ATOM 0 HG2 GLN A 80 -8.429 -7.869 -5.761 1.00 50.05 H new ATOM 0 HG3 GLN A 80 -8.119 -6.162 -6.009 1.00 50.05 H new ATOM 0 HE21 GLN A 80 -5.810 -7.224 -6.356 1.00 12.40 H new ATOM 0 HE22 GLN A 80 -4.807 -7.320 -4.905 1.00 12.40 H new ATOM 1223 N LEU A 81 -12.189 -5.537 -3.117 1.00 72.33 N ATOM 1224 CA LEU A 81 -13.210 -5.538 -2.069 1.00 50.04 C ATOM 1225 C LEU A 81 -14.510 -6.124 -2.597 1.00 62.52 C ATOM 1226 O LEU A 81 -15.188 -6.833 -1.858 1.00 74.35 O ATOM 1227 CB LEU A 81 -13.515 -4.114 -1.599 1.00 23.23 C ATOM 1228 CG LEU A 81 -12.445 -3.499 -0.696 1.00 73.43 C ATOM 1229 CD1 LEU A 81 -12.618 -1.980 -0.704 1.00 2.22 C ATOM 1230 CD2 LEU A 81 -12.507 -4.033 0.738 1.00 51.04 C ATOM 0 H LEU A 81 -11.914 -4.607 -3.431 1.00 72.33 H new ATOM 0 HA LEU A 81 -12.821 -6.134 -1.243 1.00 50.04 H new ATOM 0 HB2 LEU A 81 -13.644 -3.476 -2.474 1.00 23.23 H new ATOM 0 HB3 LEU A 81 -14.465 -4.117 -1.064 1.00 23.23 H new ATOM 0 HG LEU A 81 -11.466 -3.777 -1.087 1.00 73.43 H new ATOM 0 HD11 LEU A 81 -11.862 -1.524 -0.064 1.00 2.22 H new ATOM 0 HD12 LEU A 81 -12.505 -1.606 -1.722 1.00 2.22 H new ATOM 0 HD13 LEU A 81 -13.610 -1.725 -0.332 1.00 2.22 H new ATOM 0 HD21 LEU A 81 -11.726 -3.563 1.335 1.00 51.04 H new ATOM 0 HD22 LEU A 81 -13.481 -3.804 1.170 1.00 51.04 H new ATOM 0 HD23 LEU A 81 -12.358 -5.113 0.731 1.00 51.04 H new ATOM 1242 N MET A 82 -14.874 -5.765 -3.832 1.00 74.22 N ATOM 1243 CA MET A 82 -16.074 -6.275 -4.478 1.00 43.14 C ATOM 1244 C MET A 82 -15.919 -7.772 -4.743 1.00 74.55 C ATOM 1245 O MET A 82 -16.877 -8.524 -4.565 1.00 22.41 O ATOM 1246 CB MET A 82 -16.353 -5.524 -5.792 1.00 10.42 C ATOM 1247 CG MET A 82 -16.617 -4.028 -5.577 1.00 1.23 C ATOM 1248 SD MET A 82 -16.863 -3.083 -7.097 1.00 25.20 S ATOM 1249 CE MET A 82 -16.400 -1.460 -6.439 1.00 13.31 C ATOM 0 H MET A 82 -14.341 -5.112 -4.407 1.00 74.22 H new ATOM 0 HA MET A 82 -16.923 -6.114 -3.813 1.00 43.14 H new ATOM 0 HB2 MET A 82 -15.502 -5.645 -6.462 1.00 10.42 H new ATOM 0 HB3 MET A 82 -17.215 -5.973 -6.286 1.00 10.42 H new ATOM 0 HG2 MET A 82 -17.499 -3.915 -4.947 1.00 1.23 H new ATOM 0 HG3 MET A 82 -15.778 -3.599 -5.030 1.00 1.23 H new ATOM 0 HE1 MET A 82 -16.362 -0.735 -7.252 1.00 13.31 H new ATOM 0 HE2 MET A 82 -17.139 -1.141 -5.703 1.00 13.31 H new ATOM 0 HE3 MET A 82 -15.421 -1.526 -5.965 1.00 13.31 H new ATOM 1259 N ASP A 83 -14.731 -8.201 -5.175 1.00 14.20 N ATOM 1260 CA ASP A 83 -14.460 -9.579 -5.565 1.00 33.20 C ATOM 1261 C ASP A 83 -14.203 -10.496 -4.369 1.00 4.14 C ATOM 1262 O ASP A 83 -14.580 -11.661 -4.421 1.00 11.40 O ATOM 1263 CB ASP A 83 -13.270 -9.623 -6.522 1.00 43.21 C ATOM 1264 CG ASP A 83 -12.918 -11.065 -6.890 1.00 42.35 C ATOM 1265 OD1 ASP A 83 -13.758 -11.748 -7.511 1.00 73.24 O ATOM 1266 OD2 ASP A 83 -11.776 -11.491 -6.592 1.00 73.15 O ATOM 0 H ASP A 83 -13.920 -7.588 -5.264 1.00 14.20 H new ATOM 0 HA ASP A 83 -15.355 -9.952 -6.063 1.00 33.20 H new ATOM 0 HB2 ASP A 83 -13.504 -9.060 -7.425 1.00 43.21 H new ATOM 0 HB3 ASP A 83 -12.409 -9.141 -6.060 1.00 43.21 H new ATOM 1271 N GLU A 84 -13.612 -9.995 -3.277 1.00 32.50 N ATOM 1272 CA GLU A 84 -13.466 -10.756 -2.027 1.00 44.14 C ATOM 1273 C GLU A 84 -14.806 -10.962 -1.320 1.00 33.32 C ATOM 1274 O GLU A 84 -14.878 -11.724 -0.351 1.00 14.32 O ATOM 1275 CB GLU A 84 -12.574 -10.000 -1.022 1.00 31.54 C ATOM 1276 CG GLU A 84 -11.065 -10.228 -1.119 1.00 21.50 C ATOM 1277 CD GLU A 84 -10.328 -9.662 0.103 1.00 44.05 C ATOM 1278 OE1 GLU A 84 -10.832 -8.721 0.775 1.00 52.01 O ATOM 1279 OE2 GLU A 84 -9.199 -10.133 0.381 1.00 62.45 O ATOM 0 H GLU A 84 -13.222 -9.053 -3.234 1.00 32.50 H new ATOM 0 HA GLU A 84 -13.031 -11.713 -2.317 1.00 44.14 H new ATOM 0 HB2 GLU A 84 -12.763 -8.933 -1.139 1.00 31.54 H new ATOM 0 HB3 GLU A 84 -12.893 -10.272 -0.016 1.00 31.54 H new ATOM 0 HG2 GLU A 84 -10.863 -11.296 -1.204 1.00 21.50 H new ATOM 0 HG3 GLU A 84 -10.683 -9.758 -2.025 1.00 21.50 H new ATOM 1286 N LEU A 85 -15.824 -10.183 -1.683 1.00 71.44 N ATOM 1287 CA LEU A 85 -17.059 -10.135 -0.919 1.00 51.15 C ATOM 1288 C LEU A 85 -17.766 -11.469 -1.041 1.00 23.44 C ATOM 1289 O LEU A 85 -17.803 -12.037 -2.155 1.00 52.43 O ATOM 1290 CB LEU A 85 -17.929 -8.942 -1.357 1.00 11.40 C ATOM 1291 CG LEU A 85 -18.261 -8.061 -0.142 1.00 52.41 C ATOM 1292 CD1 LEU A 85 -18.753 -6.693 -0.604 1.00 10.43 C ATOM 1293 CD2 LEU A 85 -19.296 -8.680 0.795 1.00 51.43 C ATOM 0 H LEU A 85 -15.813 -9.577 -2.504 1.00 71.44 H new ATOM 0 HA LEU A 85 -16.844 -9.970 0.137 1.00 51.15 H new ATOM 0 HB2 LEU A 85 -17.403 -8.355 -2.110 1.00 11.40 H new ATOM 0 HB3 LEU A 85 -18.849 -9.302 -1.818 1.00 11.40 H new ATOM 0 HG LEU A 85 -17.335 -7.965 0.425 1.00 52.41 H new ATOM 0 HD11 LEU A 85 -18.985 -6.077 0.265 1.00 10.43 H new ATOM 0 HD12 LEU A 85 -17.977 -6.208 -1.195 1.00 10.43 H new ATOM 0 HD13 LEU A 85 -19.649 -6.815 -1.212 1.00 10.43 H new ATOM 0 HD21 LEU A 85 -19.482 -8.004 1.630 1.00 51.43 H new ATOM 0 HD22 LEU A 85 -20.225 -8.848 0.251 1.00 51.43 H new ATOM 0 HD23 LEU A 85 -18.921 -9.630 1.174 1.00 51.43 H new TER 1305 LEU A 85