USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 613 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 15 THR OG1 : rot 180:sc= -0.504 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.417 K(o=-0.087,f=-5.4!) USER MOD Set 2.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0696 USER MOD Single : A 24 LYS NZ :NH3+ -146:sc= -0.424 (180deg=-2.01!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 28 CYS SG : rot -58:sc= -0.36 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00937 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.042) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.073) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= -0.152 (180deg=-0.163) USER MOD Single : A 56 GLN : amide:sc= 0.0672 X(o=0.067,f=-0.22) USER MOD Single : A 57 ASN : amide:sc= 0.698 K(o=0.7,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000211) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.494 0.497 -14.934 1.00 1.00 N ATOM 2 CA GLY A 1 7.210 -0.056 -14.500 1.00 12.33 C ATOM 3 C GLY A 1 7.458 -0.964 -13.315 1.00 54.22 C ATOM 4 O GLY A 1 7.859 -0.484 -12.255 1.00 34.33 O ATOM 0 H1 GLY A 1 8.344 1.125 -15.749 1.00 1.00 H new ATOM 0 H2 GLY A 1 8.920 1.038 -14.155 1.00 1.00 H new ATOM 0 H3 GLY A 1 9.131 -0.278 -15.207 1.00 1.00 H new ATOM 0 HA2 GLY A 1 6.524 0.746 -14.226 1.00 12.33 H new ATOM 0 HA3 GLY A 1 6.742 -0.612 -15.313 1.00 12.33 H new ATOM 8 N ALA A 2 7.228 -2.269 -13.471 1.00 4.43 N ATOM 9 CA ALA A 2 7.623 -3.282 -12.499 1.00 14.11 C ATOM 10 C ALA A 2 8.041 -4.570 -13.231 1.00 52.35 C ATOM 11 O ALA A 2 7.342 -5.581 -13.133 1.00 71.31 O ATOM 12 CB ALA A 2 6.475 -3.509 -11.502 1.00 13.42 C ATOM 0 H ALA A 2 6.755 -2.654 -14.289 1.00 4.43 H new ATOM 0 HA ALA A 2 8.488 -2.946 -11.927 1.00 14.11 H new ATOM 0 HB1 ALA A 2 6.769 -4.266 -10.775 1.00 13.42 H new ATOM 0 HB2 ALA A 2 6.253 -2.576 -10.985 1.00 13.42 H new ATOM 0 HB3 ALA A 2 5.588 -3.846 -12.039 1.00 13.42 H new ATOM 18 N PRO A 3 9.151 -4.563 -13.994 1.00 64.33 N ATOM 19 CA PRO A 3 9.591 -5.728 -14.762 1.00 55.01 C ATOM 20 C PRO A 3 10.245 -6.797 -13.881 1.00 13.02 C ATOM 21 O PRO A 3 10.462 -7.919 -14.340 1.00 52.44 O ATOM 22 CB PRO A 3 10.597 -5.178 -15.778 1.00 12.10 C ATOM 23 CG PRO A 3 11.235 -4.020 -15.016 1.00 42.45 C ATOM 24 CD PRO A 3 10.081 -3.458 -14.184 1.00 22.21 C ATOM 0 HA PRO A 3 8.743 -6.223 -15.235 1.00 55.01 H new ATOM 0 HB2 PRO A 3 11.333 -5.928 -16.067 1.00 12.10 H new ATOM 0 HB3 PRO A 3 10.108 -4.842 -16.692 1.00 12.10 H new ATOM 0 HG2 PRO A 3 12.056 -4.359 -14.385 1.00 42.45 H new ATOM 0 HG3 PRO A 3 11.643 -3.270 -15.694 1.00 42.45 H new ATOM 0 HD2 PRO A 3 10.438 -3.079 -13.226 1.00 22.21 H new ATOM 0 HD3 PRO A 3 9.599 -2.626 -14.697 1.00 22.21 H new ATOM 32 N GLY A 4 10.581 -6.470 -12.632 1.00 60.25 N ATOM 33 CA GLY A 4 11.369 -7.316 -11.762 1.00 54.12 C ATOM 34 C GLY A 4 11.289 -6.730 -10.369 1.00 44.23 C ATOM 35 O GLY A 4 12.130 -5.904 -10.010 1.00 34.40 O ATOM 0 H GLY A 4 10.303 -5.590 -12.197 1.00 60.25 H new ATOM 0 HA2 GLY A 4 10.988 -8.337 -11.771 1.00 54.12 H new ATOM 0 HA3 GLY A 4 12.404 -7.359 -12.102 1.00 54.12 H new ATOM 39 N GLY A 5 10.241 -7.099 -9.633 1.00 61.21 N ATOM 40 CA GLY A 5 9.936 -6.603 -8.302 1.00 74.24 C ATOM 41 C GLY A 5 9.699 -7.783 -7.382 1.00 1.21 C ATOM 42 O GLY A 5 8.579 -8.291 -7.334 1.00 35.52 O ATOM 0 H GLY A 5 9.557 -7.779 -9.966 1.00 61.21 H new ATOM 0 HA2 GLY A 5 10.759 -5.993 -7.929 1.00 74.24 H new ATOM 0 HA3 GLY A 5 9.053 -5.964 -8.331 1.00 74.24 H new ATOM 46 N LYS A 6 10.739 -8.234 -6.681 1.00 64.11 N ATOM 47 CA LYS A 6 10.691 -9.399 -5.795 1.00 73.34 C ATOM 48 C LYS A 6 10.808 -8.913 -4.349 1.00 4.13 C ATOM 49 O LYS A 6 11.774 -9.217 -3.645 1.00 54.33 O ATOM 50 CB LYS A 6 11.777 -10.409 -6.223 1.00 71.11 C ATOM 51 CG LYS A 6 11.326 -11.263 -7.426 1.00 62.20 C ATOM 52 CD LYS A 6 12.517 -11.959 -8.109 1.00 15.21 C ATOM 53 CE LYS A 6 12.206 -13.300 -8.796 1.00 71.43 C ATOM 54 NZ LYS A 6 11.041 -13.248 -9.704 1.00 20.45 N ATOM 0 H LYS A 6 11.657 -7.791 -6.713 1.00 64.11 H new ATOM 0 HA LYS A 6 9.744 -9.934 -5.868 1.00 73.34 H new ATOM 0 HB2 LYS A 6 12.690 -9.873 -6.481 1.00 71.11 H new ATOM 0 HB3 LYS A 6 12.017 -11.062 -5.384 1.00 71.11 H new ATOM 0 HG2 LYS A 6 10.609 -12.013 -7.091 1.00 62.20 H new ATOM 0 HG3 LYS A 6 10.811 -10.630 -8.149 1.00 62.20 H new ATOM 0 HD2 LYS A 6 12.933 -11.279 -8.853 1.00 15.21 H new ATOM 0 HD3 LYS A 6 13.293 -12.127 -7.362 1.00 15.21 H new ATOM 0 HE2 LYS A 6 13.081 -13.620 -9.361 1.00 71.43 H new ATOM 0 HE3 LYS A 6 12.026 -14.056 -8.032 1.00 71.43 H new ATOM 0 HZ1 LYS A 6 10.891 -14.185 -10.130 1.00 20.45 H new ATOM 0 HZ2 LYS A 6 10.194 -12.973 -9.167 1.00 20.45 H new ATOM 0 HZ3 LYS A 6 11.217 -12.550 -10.455 1.00 20.45 H new ATOM 68 N SER A 7 9.819 -8.147 -3.892 1.00 14.44 N ATOM 69 CA SER A 7 9.783 -7.544 -2.566 1.00 2.11 C ATOM 70 C SER A 7 8.396 -7.735 -1.955 1.00 71.54 C ATOM 71 O SER A 7 7.612 -6.798 -1.812 1.00 15.01 O ATOM 72 CB SER A 7 10.263 -6.087 -2.623 1.00 72.54 C ATOM 73 OG SER A 7 9.643 -5.336 -3.650 1.00 13.12 O ATOM 0 H SER A 7 8.997 -7.924 -4.453 1.00 14.44 H new ATOM 0 HA SER A 7 10.481 -8.046 -1.896 1.00 2.11 H new ATOM 0 HB2 SER A 7 10.067 -5.609 -1.663 1.00 72.54 H new ATOM 0 HB3 SER A 7 11.343 -6.072 -2.772 1.00 72.54 H new ATOM 0 HG SER A 7 9.986 -4.418 -3.637 1.00 13.12 H new ATOM 79 N ARG A 8 8.090 -8.974 -1.586 1.00 41.03 N ATOM 80 CA ARG A 8 6.903 -9.378 -0.849 1.00 5.15 C ATOM 81 C ARG A 8 7.196 -9.173 0.637 1.00 61.44 C ATOM 82 O ARG A 8 7.916 -9.980 1.221 1.00 2.25 O ATOM 83 CB ARG A 8 6.642 -10.848 -1.227 1.00 64.22 C ATOM 84 CG ARG A 8 5.505 -11.560 -0.491 1.00 74.20 C ATOM 85 CD ARG A 8 5.513 -13.070 -0.792 1.00 43.31 C ATOM 86 NE ARG A 8 5.167 -13.402 -2.190 1.00 21.54 N ATOM 87 CZ ARG A 8 4.438 -14.455 -2.597 1.00 63.22 C ATOM 88 NH1 ARG A 8 3.936 -15.327 -1.723 1.00 74.43 N ATOM 89 NH2 ARG A 8 4.206 -14.641 -3.890 1.00 13.24 N ATOM 0 H ARG A 8 8.697 -9.764 -1.806 1.00 41.03 H new ATOM 0 HA ARG A 8 6.009 -8.800 -1.084 1.00 5.15 H new ATOM 0 HB2 ARG A 8 6.434 -10.892 -2.296 1.00 64.22 H new ATOM 0 HB3 ARG A 8 7.560 -11.410 -1.058 1.00 64.22 H new ATOM 0 HG2 ARG A 8 5.605 -11.399 0.582 1.00 74.20 H new ATOM 0 HG3 ARG A 8 4.549 -11.131 -0.790 1.00 74.20 H new ATOM 0 HD2 ARG A 8 6.502 -13.470 -0.567 1.00 43.31 H new ATOM 0 HD3 ARG A 8 4.809 -13.568 -0.125 1.00 43.31 H new ATOM 0 HE ARG A 8 5.514 -12.773 -2.914 1.00 21.54 H new ATOM 0 HH11 ARG A 8 4.103 -15.202 -0.725 1.00 74.43 H new ATOM 0 HH12 ARG A 8 3.385 -16.120 -2.053 1.00 74.43 H new ATOM 0 HH21 ARG A 8 4.581 -13.985 -4.575 1.00 13.24 H new ATOM 0 HH22 ARG A 8 3.653 -15.440 -4.199 1.00 13.24 H new ATOM 103 N ARG A 9 6.725 -8.091 1.260 1.00 1.21 N ATOM 104 CA ARG A 9 6.672 -8.002 2.728 1.00 74.43 C ATOM 105 C ARG A 9 5.259 -8.390 3.156 1.00 33.41 C ATOM 106 O ARG A 9 4.301 -7.986 2.495 1.00 71.22 O ATOM 107 CB ARG A 9 6.994 -6.582 3.246 1.00 71.40 C ATOM 108 CG ARG A 9 8.485 -6.210 3.361 1.00 12.02 C ATOM 109 CD ARG A 9 9.233 -6.250 2.025 1.00 2.03 C ATOM 110 NE ARG A 9 10.546 -5.572 2.094 1.00 34.32 N ATOM 111 CZ ARG A 9 11.595 -5.833 1.304 1.00 40.33 C ATOM 112 NH1 ARG A 9 11.648 -6.962 0.603 1.00 61.15 N ATOM 113 NH2 ARG A 9 12.580 -4.948 1.199 1.00 72.04 N ATOM 0 H ARG A 9 6.375 -7.264 0.776 1.00 1.21 H new ATOM 0 HA ARG A 9 7.424 -8.669 3.150 1.00 74.43 H new ATOM 0 HB2 ARG A 9 6.513 -5.861 2.585 1.00 71.40 H new ATOM 0 HB3 ARG A 9 6.537 -6.467 4.229 1.00 71.40 H new ATOM 0 HG2 ARG A 9 8.569 -5.209 3.785 1.00 12.02 H new ATOM 0 HG3 ARG A 9 8.968 -6.894 4.059 1.00 12.02 H new ATOM 0 HD2 ARG A 9 9.378 -7.287 1.724 1.00 2.03 H new ATOM 0 HD3 ARG A 9 8.623 -5.777 1.256 1.00 2.03 H new ATOM 0 HE ARG A 9 10.662 -4.846 2.801 1.00 34.32 H new ATOM 0 HH11 ARG A 9 10.886 -7.637 0.665 1.00 61.15 H new ATOM 0 HH12 ARG A 9 12.451 -7.153 0.004 1.00 61.15 H new ATOM 0 HH21 ARG A 9 12.536 -4.072 1.720 1.00 72.04 H new ATOM 0 HH22 ARG A 9 13.380 -5.145 0.598 1.00 72.04 H new ATOM 127 N ARG A 10 5.139 -9.089 4.290 1.00 72.23 N ATOM 128 CA ARG A 10 3.905 -9.380 5.027 1.00 51.44 C ATOM 129 C ARG A 10 2.789 -9.816 4.073 1.00 64.40 C ATOM 130 O ARG A 10 1.820 -9.085 3.874 1.00 42.13 O ATOM 131 CB ARG A 10 3.564 -8.148 5.896 1.00 43.40 C ATOM 132 CG ARG A 10 2.616 -8.414 7.076 1.00 65.12 C ATOM 133 CD ARG A 10 3.306 -9.216 8.191 1.00 12.33 C ATOM 134 NE ARG A 10 2.763 -8.886 9.519 1.00 64.40 N ATOM 135 CZ ARG A 10 1.823 -9.525 10.224 1.00 1.42 C ATOM 136 NH1 ARG A 10 1.197 -10.588 9.737 1.00 2.31 N ATOM 137 NH2 ARG A 10 1.527 -9.070 11.435 1.00 23.15 N ATOM 0 H ARG A 10 5.956 -9.493 4.747 1.00 72.23 H new ATOM 0 HA ARG A 10 4.034 -10.228 5.699 1.00 51.44 H new ATOM 0 HB2 ARG A 10 4.493 -7.731 6.285 1.00 43.40 H new ATOM 0 HB3 ARG A 10 3.116 -7.387 5.257 1.00 43.40 H new ATOM 0 HG2 ARG A 10 2.260 -7.465 7.477 1.00 65.12 H new ATOM 0 HG3 ARG A 10 1.741 -8.960 6.724 1.00 65.12 H new ATOM 0 HD2 ARG A 10 3.181 -10.282 8.002 1.00 12.33 H new ATOM 0 HD3 ARG A 10 4.377 -9.013 8.175 1.00 12.33 H new ATOM 0 HE ARG A 10 3.158 -8.056 9.962 1.00 64.40 H new ATOM 0 HH11 ARG A 10 1.429 -10.935 8.806 1.00 2.31 H new ATOM 0 HH12 ARG A 10 0.483 -11.059 10.293 1.00 2.31 H new ATOM 0 HH21 ARG A 10 2.012 -8.253 11.805 1.00 23.15 H new ATOM 0 HH22 ARG A 10 0.814 -9.537 11.995 1.00 23.15 H new ATOM 151 N ARG A 11 2.943 -10.977 3.430 1.00 44.31 N ATOM 152 CA ARG A 11 2.047 -11.457 2.382 1.00 34.51 C ATOM 153 C ARG A 11 0.663 -11.715 2.968 1.00 41.40 C ATOM 154 O ARG A 11 0.431 -12.774 3.547 1.00 10.03 O ATOM 155 CB ARG A 11 2.633 -12.722 1.723 1.00 24.31 C ATOM 156 CG ARG A 11 1.820 -13.183 0.491 1.00 51.40 C ATOM 157 CD ARG A 11 1.309 -14.624 0.635 1.00 3.21 C ATOM 158 NE ARG A 11 0.339 -14.967 -0.419 1.00 31.31 N ATOM 159 CZ ARG A 11 -0.676 -15.836 -0.303 1.00 3.02 C ATOM 160 NH1 ARG A 11 -0.801 -16.631 0.749 1.00 12.45 N ATOM 161 NH2 ARG A 11 -1.588 -15.900 -1.258 1.00 71.31 N ATOM 0 H ARG A 11 3.710 -11.620 3.629 1.00 44.31 H new ATOM 0 HA ARG A 11 1.948 -10.698 1.606 1.00 34.51 H new ATOM 0 HB2 ARG A 11 3.662 -12.527 1.422 1.00 24.31 H new ATOM 0 HB3 ARG A 11 2.663 -13.528 2.456 1.00 24.31 H new ATOM 0 HG2 ARG A 11 0.973 -12.512 0.346 1.00 51.40 H new ATOM 0 HG3 ARG A 11 2.442 -13.108 -0.401 1.00 51.40 H new ATOM 0 HD2 ARG A 11 2.151 -15.315 0.593 1.00 3.21 H new ATOM 0 HD3 ARG A 11 0.843 -14.749 1.613 1.00 3.21 H new ATOM 0 HE ARG A 11 0.449 -14.501 -1.320 1.00 31.31 H new ATOM 0 HH11 ARG A 11 -0.113 -16.593 1.501 1.00 12.45 H new ATOM 0 HH12 ARG A 11 -1.585 -17.281 0.807 1.00 12.45 H new ATOM 0 HH21 ARG A 11 -1.516 -15.292 -2.074 1.00 71.31 H new ATOM 0 HH22 ARG A 11 -2.364 -16.558 -1.179 1.00 71.31 H new ATOM 175 N THR A 12 -0.271 -10.788 2.786 1.00 52.03 N ATOM 176 CA THR A 12 -1.689 -10.967 3.105 1.00 3.22 C ATOM 177 C THR A 12 -2.497 -11.329 1.859 1.00 1.45 C ATOM 178 O THR A 12 -3.676 -11.006 1.744 1.00 3.44 O ATOM 179 CB THR A 12 -2.278 -9.750 3.801 1.00 51.43 C ATOM 180 OG1 THR A 12 -1.354 -9.157 4.692 1.00 5.14 O ATOM 181 CG2 THR A 12 -3.525 -10.177 4.592 1.00 1.41 C ATOM 0 H THR A 12 -0.061 -9.866 2.403 1.00 52.03 H new ATOM 0 HA THR A 12 -1.753 -11.801 3.804 1.00 3.22 H new ATOM 0 HB THR A 12 -2.534 -9.017 3.036 1.00 51.43 H new ATOM 0 HG1 THR A 12 -1.766 -8.377 5.120 1.00 5.14 H new ATOM 0 HG21 THR A 12 -3.953 -9.309 5.094 1.00 1.41 H new ATOM 0 HG22 THR A 12 -4.261 -10.601 3.909 1.00 1.41 H new ATOM 0 HG23 THR A 12 -3.246 -10.925 5.335 1.00 1.41 H new ATOM 189 N ALA A 13 -1.851 -11.942 0.875 1.00 4.21 N ATOM 190 CA ALA A 13 -2.561 -12.618 -0.204 1.00 73.43 C ATOM 191 C ALA A 13 -3.345 -11.632 -1.074 1.00 4.03 C ATOM 192 O ALA A 13 -4.395 -11.967 -1.619 1.00 53.01 O ATOM 193 CB ALA A 13 -3.429 -13.724 0.436 1.00 73.13 C ATOM 0 H ALA A 13 -0.835 -11.985 0.802 1.00 4.21 H new ATOM 0 HA ALA A 13 -1.864 -13.083 -0.900 1.00 73.43 H new ATOM 0 HB1 ALA A 13 -3.977 -14.253 -0.344 1.00 73.13 H new ATOM 0 HB2 ALA A 13 -2.788 -14.426 0.970 1.00 73.13 H new ATOM 0 HB3 ALA A 13 -4.135 -13.274 1.134 1.00 73.13 H new ATOM 199 N PHE A 14 -2.783 -10.435 -1.236 1.00 64.24 N ATOM 200 CA PHE A 14 -3.291 -9.422 -2.127 1.00 61.44 C ATOM 201 C PHE A 14 -2.938 -9.883 -3.531 1.00 23.22 C ATOM 202 O PHE A 14 -1.785 -10.230 -3.817 1.00 23.42 O ATOM 203 CB PHE A 14 -2.702 -8.027 -1.834 1.00 61.20 C ATOM 204 CG PHE A 14 -3.325 -7.234 -0.688 1.00 3.12 C ATOM 205 CD1 PHE A 14 -3.691 -7.847 0.522 1.00 14.23 C ATOM 206 CD2 PHE A 14 -3.548 -5.854 -0.827 1.00 3.35 C ATOM 207 CE1 PHE A 14 -4.211 -7.112 1.598 1.00 32.34 C ATOM 208 CE2 PHE A 14 -4.104 -5.116 0.237 1.00 52.01 C ATOM 209 CZ PHE A 14 -4.408 -5.733 1.459 1.00 64.34 C ATOM 0 H PHE A 14 -1.943 -10.147 -0.734 1.00 64.24 H new ATOM 0 HA PHE A 14 -4.367 -9.309 -1.998 1.00 61.44 H new ATOM 0 HB2 PHE A 14 -1.639 -8.146 -1.624 1.00 61.20 H new ATOM 0 HB3 PHE A 14 -2.782 -7.429 -2.742 1.00 61.20 H new ATOM 0 HD1 PHE A 14 -3.569 -8.915 0.627 1.00 14.23 H new ATOM 0 HD2 PHE A 14 -3.293 -5.357 -1.751 1.00 3.35 H new ATOM 0 HE1 PHE A 14 -4.457 -7.606 2.526 1.00 32.34 H new ATOM 0 HE2 PHE A 14 -4.299 -4.061 0.110 1.00 52.01 H new ATOM 0 HZ PHE A 14 -4.790 -5.150 2.284 1.00 64.34 H new ATOM 219 N THR A 15 -3.946 -9.933 -4.382 1.00 44.42 N ATOM 220 CA THR A 15 -3.767 -10.150 -5.809 1.00 21.11 C ATOM 221 C THR A 15 -3.149 -8.910 -6.445 1.00 75.40 C ATOM 222 O THR A 15 -2.949 -7.868 -5.821 1.00 71.34 O ATOM 223 CB THR A 15 -5.105 -10.476 -6.488 1.00 4.14 C ATOM 224 OG1 THR A 15 -6.091 -9.622 -5.985 1.00 11.25 O ATOM 225 CG2 THR A 15 -5.575 -11.881 -6.133 1.00 52.13 C ATOM 0 H THR A 15 -4.921 -9.823 -4.102 1.00 44.42 H new ATOM 0 HA THR A 15 -3.099 -11.000 -5.947 1.00 21.11 H new ATOM 0 HB THR A 15 -4.957 -10.373 -7.563 1.00 4.14 H new ATOM 0 HG1 THR A 15 -6.948 -9.823 -6.415 1.00 11.25 H new ATOM 0 HG21 THR A 15 -6.525 -12.083 -6.628 1.00 52.13 H new ATOM 0 HG22 THR A 15 -4.832 -12.607 -6.463 1.00 52.13 H new ATOM 0 HG23 THR A 15 -5.705 -11.959 -5.054 1.00 52.13 H new ATOM 233 N SER A 16 -2.870 -9.032 -7.731 1.00 3.14 N ATOM 234 CA SER A 16 -2.375 -7.971 -8.564 1.00 21.13 C ATOM 235 C SER A 16 -3.297 -6.763 -8.629 1.00 60.42 C ATOM 236 O SER A 16 -2.782 -5.656 -8.518 1.00 61.10 O ATOM 237 CB SER A 16 -2.137 -8.553 -9.938 1.00 71.53 C ATOM 238 OG SER A 16 -3.081 -9.545 -10.308 1.00 44.10 O ATOM 0 H SER A 16 -2.990 -9.911 -8.235 1.00 3.14 H new ATOM 0 HA SER A 16 -1.451 -7.587 -8.130 1.00 21.13 H new ATOM 0 HB2 SER A 16 -2.162 -7.748 -10.673 1.00 71.53 H new ATOM 0 HB3 SER A 16 -1.137 -8.985 -9.972 1.00 71.53 H new ATOM 0 HG SER A 16 -2.871 -9.878 -11.206 1.00 44.10 H new ATOM 244 N GLU A 17 -4.610 -6.953 -8.791 1.00 54.12 N ATOM 245 CA GLU A 17 -5.572 -5.876 -8.851 1.00 72.12 C ATOM 246 C GLU A 17 -5.432 -5.017 -7.598 1.00 1.04 C ATOM 247 O GLU A 17 -5.253 -3.802 -7.646 1.00 35.23 O ATOM 248 CB GLU A 17 -6.970 -6.514 -8.936 1.00 51.23 C ATOM 249 CG GLU A 17 -7.955 -5.460 -9.424 1.00 23.33 C ATOM 250 CD GLU A 17 -9.381 -5.780 -8.991 1.00 40.31 C ATOM 251 OE1 GLU A 17 -10.067 -6.572 -9.680 1.00 35.33 O ATOM 252 OE2 GLU A 17 -9.843 -5.228 -7.966 1.00 34.13 O ATOM 0 H GLU A 17 -5.029 -7.878 -8.884 1.00 54.12 H new ATOM 0 HA GLU A 17 -5.410 -5.236 -9.718 1.00 72.12 H new ATOM 0 HB2 GLU A 17 -6.957 -7.364 -9.618 1.00 51.23 H new ATOM 0 HB3 GLU A 17 -7.273 -6.892 -7.960 1.00 51.23 H new ATOM 0 HG2 GLU A 17 -7.666 -4.484 -9.034 1.00 23.33 H new ATOM 0 HG3 GLU A 17 -7.910 -5.395 -10.511 1.00 23.33 H new ATOM 259 N GLN A 18 -5.449 -5.697 -6.454 1.00 73.33 N ATOM 260 CA GLN A 18 -5.397 -5.089 -5.145 1.00 43.00 C ATOM 261 C GLN A 18 -4.041 -4.411 -4.939 1.00 75.52 C ATOM 262 O GLN A 18 -3.984 -3.376 -4.287 1.00 15.25 O ATOM 263 CB GLN A 18 -5.708 -6.150 -4.070 1.00 3.22 C ATOM 264 CG GLN A 18 -6.953 -7.003 -4.408 1.00 33.32 C ATOM 265 CD GLN A 18 -7.255 -8.056 -3.346 1.00 54.32 C ATOM 266 OE1 GLN A 18 -6.385 -8.828 -2.960 1.00 22.23 O ATOM 267 NE2 GLN A 18 -8.481 -8.167 -2.866 1.00 53.31 N ATOM 0 H GLN A 18 -5.501 -6.715 -6.421 1.00 73.33 H new ATOM 0 HA GLN A 18 -6.155 -4.311 -5.058 1.00 43.00 H new ATOM 0 HB2 GLN A 18 -4.845 -6.806 -3.954 1.00 3.22 H new ATOM 0 HB3 GLN A 18 -5.863 -5.654 -3.112 1.00 3.22 H new ATOM 0 HG2 GLN A 18 -7.817 -6.348 -4.519 1.00 33.32 H new ATOM 0 HG3 GLN A 18 -6.800 -7.496 -5.368 1.00 33.32 H new ATOM 0 HE21 GLN A 18 -9.212 -7.529 -3.181 1.00 53.31 H new ATOM 0 HE22 GLN A 18 -8.697 -8.891 -2.180 1.00 53.31 H new ATOM 276 N LEU A 19 -2.963 -4.946 -5.525 1.00 51.03 N ATOM 277 CA LEU A 19 -1.649 -4.319 -5.479 1.00 71.13 C ATOM 278 C LEU A 19 -1.565 -3.093 -6.390 1.00 12.42 C ATOM 279 O LEU A 19 -0.685 -2.266 -6.170 1.00 44.12 O ATOM 280 CB LEU A 19 -0.560 -5.338 -5.882 1.00 33.11 C ATOM 281 CG LEU A 19 -0.219 -6.338 -4.765 1.00 21.51 C ATOM 282 CD1 LEU A 19 0.643 -7.467 -5.342 1.00 12.13 C ATOM 283 CD2 LEU A 19 0.545 -5.688 -3.604 1.00 55.00 C ATOM 0 H LEU A 19 -2.983 -5.825 -6.042 1.00 51.03 H new ATOM 0 HA LEU A 19 -1.485 -3.986 -4.454 1.00 71.13 H new ATOM 0 HB2 LEU A 19 -0.894 -5.887 -6.762 1.00 33.11 H new ATOM 0 HB3 LEU A 19 0.344 -4.800 -6.166 1.00 33.11 H new ATOM 0 HG LEU A 19 -1.163 -6.718 -4.375 1.00 21.51 H new ATOM 0 HD11 LEU A 19 0.887 -8.178 -4.553 1.00 12.13 H new ATOM 0 HD12 LEU A 19 0.093 -7.977 -6.133 1.00 12.13 H new ATOM 0 HD13 LEU A 19 1.563 -7.050 -5.751 1.00 12.13 H new ATOM 0 HD21 LEU A 19 0.760 -6.439 -2.844 1.00 55.00 H new ATOM 0 HD22 LEU A 19 1.480 -5.268 -3.974 1.00 55.00 H new ATOM 0 HD23 LEU A 19 -0.062 -4.894 -3.168 1.00 55.00 H new ATOM 295 N LEU A 20 -2.400 -2.973 -7.426 1.00 0.34 N ATOM 296 CA LEU A 20 -2.244 -1.942 -8.444 1.00 32.24 C ATOM 297 C LEU A 20 -2.745 -0.622 -7.868 1.00 75.10 C ATOM 298 O LEU A 20 -1.999 0.358 -7.809 1.00 71.43 O ATOM 299 CB LEU A 20 -2.992 -2.348 -9.732 1.00 2.23 C ATOM 300 CG LEU A 20 -2.338 -1.793 -11.013 1.00 74.50 C ATOM 301 CD1 LEU A 20 -3.027 -2.339 -12.268 1.00 41.14 C ATOM 302 CD2 LEU A 20 -2.358 -0.266 -11.074 1.00 2.43 C ATOM 0 H LEU A 20 -3.199 -3.588 -7.578 1.00 0.34 H new ATOM 0 HA LEU A 20 -1.196 -1.823 -8.720 1.00 32.24 H new ATOM 0 HB2 LEU A 20 -3.032 -3.435 -9.794 1.00 2.23 H new ATOM 0 HB3 LEU A 20 -4.021 -1.994 -9.674 1.00 2.23 H new ATOM 0 HG LEU A 20 -1.300 -2.124 -10.980 1.00 74.50 H new ATOM 0 HD11 LEU A 20 -2.544 -1.930 -13.155 1.00 41.14 H new ATOM 0 HD12 LEU A 20 -2.950 -3.426 -12.282 1.00 41.14 H new ATOM 0 HD13 LEU A 20 -4.078 -2.050 -12.261 1.00 41.14 H new ATOM 0 HD21 LEU A 20 -1.884 0.067 -11.997 1.00 2.43 H new ATOM 0 HD22 LEU A 20 -3.389 0.086 -11.048 1.00 2.43 H new ATOM 0 HD23 LEU A 20 -1.815 0.139 -10.221 1.00 2.43 H new ATOM 314 N GLU A 21 -3.998 -0.615 -7.411 1.00 74.41 N ATOM 315 CA GLU A 21 -4.678 0.577 -6.914 1.00 21.24 C ATOM 316 C GLU A 21 -3.933 1.135 -5.697 1.00 31.22 C ATOM 317 O GLU A 21 -3.771 2.347 -5.558 1.00 32.13 O ATOM 318 CB GLU A 21 -6.134 0.229 -6.555 1.00 31.53 C ATOM 319 CG GLU A 21 -6.933 -0.458 -7.678 1.00 32.11 C ATOM 320 CD GLU A 21 -7.200 0.434 -8.887 1.00 43.42 C ATOM 321 OE1 GLU A 21 -6.252 0.971 -9.509 1.00 33.53 O ATOM 322 OE2 GLU A 21 -8.385 0.665 -9.230 1.00 52.10 O ATOM 0 H GLU A 21 -4.577 -1.454 -7.376 1.00 74.41 H new ATOM 0 HA GLU A 21 -4.685 1.343 -7.689 1.00 21.24 H new ATOM 0 HB2 GLU A 21 -6.132 -0.422 -5.681 1.00 31.53 H new ATOM 0 HB3 GLU A 21 -6.651 1.145 -6.269 1.00 31.53 H new ATOM 0 HG2 GLU A 21 -6.390 -1.344 -8.006 1.00 32.11 H new ATOM 0 HG3 GLU A 21 -7.886 -0.800 -7.275 1.00 32.11 H new ATOM 329 N LEU A 22 -3.422 0.236 -4.853 1.00 11.45 N ATOM 330 CA LEU A 22 -2.613 0.553 -3.682 1.00 35.35 C ATOM 331 C LEU A 22 -1.364 1.333 -4.060 1.00 34.55 C ATOM 332 O LEU A 22 -1.019 2.311 -3.398 1.00 23.24 O ATOM 333 CB LEU A 22 -2.205 -0.759 -2.989 1.00 41.02 C ATOM 334 CG LEU A 22 -3.000 -1.085 -1.717 1.00 72.20 C ATOM 335 CD1 LEU A 22 -4.512 -0.929 -1.887 1.00 20.12 C ATOM 336 CD2 LEU A 22 -2.708 -2.531 -1.316 1.00 53.22 C ATOM 0 H LEU A 22 -3.567 -0.766 -4.973 1.00 11.45 H new ATOM 0 HA LEU A 22 -3.206 1.174 -3.011 1.00 35.35 H new ATOM 0 HB2 LEU A 22 -2.324 -1.580 -3.696 1.00 41.02 H new ATOM 0 HB3 LEU A 22 -1.146 -0.707 -2.736 1.00 41.02 H new ATOM 0 HG LEU A 22 -2.685 -0.374 -0.954 1.00 72.20 H new ATOM 0 HD11 LEU A 22 -5.011 -1.175 -0.950 1.00 20.12 H new ATOM 0 HD12 LEU A 22 -4.743 0.100 -2.161 1.00 20.12 H new ATOM 0 HD13 LEU A 22 -4.861 -1.601 -2.671 1.00 20.12 H new ATOM 0 HD21 LEU A 22 -3.266 -2.778 -0.413 1.00 53.22 H new ATOM 0 HD22 LEU A 22 -3.008 -3.200 -2.122 1.00 53.22 H new ATOM 0 HD23 LEU A 22 -1.641 -2.648 -1.126 1.00 53.22 H new ATOM 348 N ARG A 23 -0.651 0.893 -5.097 1.00 63.23 N ATOM 349 CA ARG A 23 0.599 1.524 -5.480 1.00 42.43 C ATOM 350 C ARG A 23 0.289 2.836 -6.164 1.00 14.42 C ATOM 351 O ARG A 23 1.054 3.786 -6.006 1.00 14.11 O ATOM 352 CB ARG A 23 1.358 0.624 -6.453 1.00 2.43 C ATOM 353 CG ARG A 23 1.992 -0.572 -5.744 1.00 44.12 C ATOM 354 CD ARG A 23 2.398 -1.574 -6.817 1.00 64.22 C ATOM 355 NE ARG A 23 3.241 -2.640 -6.276 1.00 23.43 N ATOM 356 CZ ARG A 23 3.897 -3.512 -7.041 1.00 13.12 C ATOM 357 NH1 ARG A 23 3.635 -3.611 -8.342 1.00 51.32 N ATOM 358 NH2 ARG A 23 4.822 -4.264 -6.465 1.00 44.30 N ATOM 0 H ARG A 23 -0.922 0.103 -5.682 1.00 63.23 H new ATOM 0 HA ARG A 23 1.210 1.692 -4.593 1.00 42.43 H new ATOM 0 HB2 ARG A 23 0.677 0.269 -7.226 1.00 2.43 H new ATOM 0 HB3 ARG A 23 2.134 1.203 -6.954 1.00 2.43 H new ATOM 0 HG2 ARG A 23 2.860 -0.258 -5.163 1.00 44.12 H new ATOM 0 HG3 ARG A 23 1.287 -1.022 -5.045 1.00 44.12 H new ATOM 0 HD2 ARG A 23 1.504 -2.009 -7.264 1.00 64.22 H new ATOM 0 HD3 ARG A 23 2.933 -1.057 -7.613 1.00 64.22 H new ATOM 0 HE ARG A 23 3.331 -2.720 -5.263 1.00 23.43 H new ATOM 0 HH11 ARG A 23 2.924 -3.015 -8.766 1.00 51.32 H new ATOM 0 HH12 ARG A 23 4.145 -4.283 -8.915 1.00 51.32 H new ATOM 0 HH21 ARG A 23 5.012 -4.165 -5.468 1.00 44.30 H new ATOM 0 HH22 ARG A 23 5.345 -4.943 -7.018 1.00 44.30 H new ATOM 372 N LYS A 24 -0.803 2.881 -6.934 1.00 61.50 N ATOM 373 CA LYS A 24 -1.233 4.088 -7.606 1.00 54.00 C ATOM 374 C LYS A 24 -1.464 5.188 -6.582 1.00 0.45 C ATOM 375 O LYS A 24 -0.989 6.309 -6.775 1.00 43.02 O ATOM 376 CB LYS A 24 -2.502 3.830 -8.430 1.00 1.14 C ATOM 377 CG LYS A 24 -2.188 3.299 -9.833 1.00 32.42 C ATOM 378 CD LYS A 24 -3.446 3.024 -10.671 1.00 31.45 C ATOM 379 CE LYS A 24 -4.143 4.258 -11.258 1.00 55.42 C ATOM 380 NZ LYS A 24 -4.837 5.101 -10.261 1.00 3.02 N ATOM 0 H LYS A 24 -1.406 2.076 -7.102 1.00 61.50 H new ATOM 0 HA LYS A 24 -0.452 4.408 -8.295 1.00 54.00 H new ATOM 0 HB2 LYS A 24 -3.133 3.113 -7.906 1.00 1.14 H new ATOM 0 HB3 LYS A 24 -3.072 4.755 -8.514 1.00 1.14 H new ATOM 0 HG2 LYS A 24 -1.561 4.021 -10.356 1.00 32.42 H new ATOM 0 HG3 LYS A 24 -1.609 2.379 -9.745 1.00 32.42 H new ATOM 0 HD2 LYS A 24 -3.174 2.359 -11.491 1.00 31.45 H new ATOM 0 HD3 LYS A 24 -4.163 2.487 -10.050 1.00 31.45 H new ATOM 0 HE2 LYS A 24 -3.402 4.866 -11.777 1.00 55.42 H new ATOM 0 HE3 LYS A 24 -4.866 3.931 -12.005 1.00 55.42 H new ATOM 0 HZ1 LYS A 24 -5.690 5.514 -10.689 1.00 3.02 H new ATOM 0 HZ2 LYS A 24 -5.107 4.519 -9.442 1.00 3.02 H new ATOM 0 HZ3 LYS A 24 -4.202 5.864 -9.949 1.00 3.02 H new ATOM 394 N GLU A 25 -2.191 4.867 -5.516 1.00 75.22 N ATOM 395 CA GLU A 25 -2.467 5.773 -4.417 1.00 0.02 C ATOM 396 C GLU A 25 -1.188 6.139 -3.656 1.00 62.13 C ATOM 397 O GLU A 25 -1.011 7.292 -3.256 1.00 1.42 O ATOM 398 CB GLU A 25 -3.522 5.121 -3.508 1.00 24.54 C ATOM 399 CG GLU A 25 -4.953 5.488 -3.932 1.00 62.40 C ATOM 400 CD GLU A 25 -5.206 6.999 -3.943 1.00 54.43 C ATOM 401 OE1 GLU A 25 -4.798 7.696 -2.985 1.00 63.11 O ATOM 402 OE2 GLU A 25 -5.778 7.503 -4.941 1.00 0.12 O ATOM 0 H GLU A 25 -2.613 3.946 -5.394 1.00 75.22 H new ATOM 0 HA GLU A 25 -2.861 6.714 -4.801 1.00 0.02 H new ATOM 0 HB2 GLU A 25 -3.403 4.038 -3.533 1.00 24.54 H new ATOM 0 HB3 GLU A 25 -3.357 5.436 -2.478 1.00 24.54 H new ATOM 0 HG2 GLU A 25 -5.146 5.086 -4.927 1.00 62.40 H new ATOM 0 HG3 GLU A 25 -5.660 5.012 -3.253 1.00 62.40 H new ATOM 409 N PHE A 26 -0.257 5.195 -3.502 1.00 34.31 N ATOM 410 CA PHE A 26 1.043 5.439 -2.886 1.00 32.14 C ATOM 411 C PHE A 26 1.897 6.436 -3.691 1.00 34.50 C ATOM 412 O PHE A 26 2.837 7.000 -3.130 1.00 54.24 O ATOM 413 CB PHE A 26 1.763 4.093 -2.707 1.00 43.31 C ATOM 414 CG PHE A 26 2.932 4.089 -1.742 1.00 44.01 C ATOM 415 CD1 PHE A 26 4.228 4.425 -2.183 1.00 22.53 C ATOM 416 CD2 PHE A 26 2.731 3.672 -0.412 1.00 0.14 C ATOM 417 CE1 PHE A 26 5.316 4.339 -1.297 1.00 13.00 C ATOM 418 CE2 PHE A 26 3.821 3.583 0.472 1.00 32.40 C ATOM 419 CZ PHE A 26 5.114 3.912 0.026 1.00 1.02 C ATOM 0 H PHE A 26 -0.389 4.230 -3.806 1.00 34.31 H new ATOM 0 HA PHE A 26 0.888 5.904 -1.912 1.00 32.14 H new ATOM 0 HB2 PHE A 26 1.035 3.356 -2.368 1.00 43.31 H new ATOM 0 HB3 PHE A 26 2.121 3.762 -3.682 1.00 43.31 H new ATOM 0 HD1 PHE A 26 4.385 4.748 -3.201 1.00 22.53 H new ATOM 0 HD2 PHE A 26 1.738 3.420 -0.070 1.00 0.14 H new ATOM 0 HE1 PHE A 26 6.308 4.601 -1.634 1.00 13.00 H new ATOM 0 HE2 PHE A 26 3.666 3.263 1.492 1.00 32.40 H new ATOM 0 HZ PHE A 26 5.953 3.836 0.702 1.00 1.02 H new ATOM 429 N HIS A 27 1.594 6.675 -4.972 1.00 75.24 N ATOM 430 CA HIS A 27 2.269 7.670 -5.803 1.00 72.14 C ATOM 431 C HIS A 27 1.563 9.034 -5.794 1.00 52.01 C ATOM 432 O HIS A 27 2.037 9.943 -6.478 1.00 43.15 O ATOM 433 CB HIS A 27 2.418 7.140 -7.240 1.00 51.01 C ATOM 434 CG HIS A 27 3.519 6.128 -7.414 1.00 23.33 C ATOM 435 ND1 HIS A 27 4.877 6.371 -7.358 1.00 52.34 N ATOM 436 CD2 HIS A 27 3.347 4.818 -7.761 1.00 23.34 C ATOM 437 CE1 HIS A 27 5.512 5.219 -7.622 1.00 54.33 C ATOM 438 NE2 HIS A 27 4.618 4.247 -7.887 1.00 63.13 N ATOM 0 H HIS A 27 0.858 6.171 -5.467 1.00 75.24 H new ATOM 0 HA HIS A 27 3.257 7.834 -5.373 1.00 72.14 H new ATOM 0 HB2 HIS A 27 1.474 6.690 -7.549 1.00 51.01 H new ATOM 0 HB3 HIS A 27 2.604 7.981 -7.908 1.00 51.01 H new ATOM 0 HD2 HIS A 27 2.403 4.315 -7.911 1.00 23.34 H new ATOM 0 HE1 HIS A 27 6.584 5.090 -7.622 1.00 54.33 H new ATOM 0 HE2 HIS A 27 4.828 3.279 -8.133 1.00 63.13 H new ATOM 446 N CYS A 28 0.448 9.216 -5.070 1.00 42.03 N ATOM 447 CA CYS A 28 -0.212 10.521 -4.990 1.00 51.11 C ATOM 448 C CYS A 28 -0.537 10.990 -3.569 1.00 52.22 C ATOM 449 O CYS A 28 -0.663 12.209 -3.397 1.00 2.11 O ATOM 450 CB CYS A 28 -1.436 10.613 -5.921 1.00 31.53 C ATOM 451 SG CYS A 28 -2.476 9.126 -5.894 1.00 1.34 S ATOM 0 H CYS A 28 -0.011 8.478 -4.536 1.00 42.03 H new ATOM 0 HA CYS A 28 0.536 11.227 -5.352 1.00 51.11 H new ATOM 0 HB2 CYS A 28 -2.039 11.474 -5.632 1.00 31.53 H new ATOM 0 HB3 CYS A 28 -1.095 10.790 -6.941 1.00 31.53 H new ATOM 0 HG CYS A 28 -1.766 8.094 -6.241 1.00 1.34 H new ATOM 457 N LYS A 29 -0.585 10.126 -2.548 1.00 31.33 N ATOM 458 CA LYS A 29 -0.996 10.513 -1.192 1.00 60.23 C ATOM 459 C LYS A 29 -0.029 9.974 -0.136 1.00 35.11 C ATOM 460 O LYS A 29 0.485 8.866 -0.251 1.00 35.51 O ATOM 461 CB LYS A 29 -2.419 9.986 -0.938 1.00 73.15 C ATOM 462 CG LYS A 29 -3.505 11.060 -0.796 1.00 63.55 C ATOM 463 CD LYS A 29 -4.842 10.363 -0.485 1.00 73.33 C ATOM 464 CE LYS A 29 -5.997 11.349 -0.300 1.00 74.50 C ATOM 465 NZ LYS A 29 -6.669 11.641 -1.576 1.00 31.34 N ATOM 0 H LYS A 29 -0.340 9.140 -2.638 1.00 31.33 H new ATOM 0 HA LYS A 29 -0.981 11.600 -1.115 1.00 60.23 H new ATOM 0 HB2 LYS A 29 -2.694 9.322 -1.758 1.00 73.15 H new ATOM 0 HB3 LYS A 29 -2.408 9.383 -0.030 1.00 73.15 H new ATOM 0 HG2 LYS A 29 -3.247 11.757 0.001 1.00 63.55 H new ATOM 0 HG3 LYS A 29 -3.585 11.641 -1.714 1.00 63.55 H new ATOM 0 HD2 LYS A 29 -5.084 9.675 -1.295 1.00 73.33 H new ATOM 0 HD3 LYS A 29 -4.733 9.765 0.420 1.00 73.33 H new ATOM 0 HE2 LYS A 29 -6.718 10.937 0.406 1.00 74.50 H new ATOM 0 HE3 LYS A 29 -5.620 12.275 0.134 1.00 74.50 H new ATOM 0 HZ1 LYS A 29 -7.446 12.312 -1.413 1.00 31.34 H new ATOM 0 HZ2 LYS A 29 -5.986 12.057 -2.241 1.00 31.34 H new ATOM 0 HZ3 LYS A 29 -7.050 10.760 -1.977 1.00 31.34 H new ATOM 479 N LYS A 30 0.143 10.744 0.943 1.00 20.24 N ATOM 480 CA LYS A 30 0.885 10.380 2.159 1.00 44.25 C ATOM 481 C LYS A 30 0.014 9.609 3.150 1.00 64.33 C ATOM 482 O LYS A 30 0.542 8.818 3.940 1.00 22.44 O ATOM 483 CB LYS A 30 1.455 11.632 2.865 1.00 13.40 C ATOM 484 CG LYS A 30 0.489 12.828 2.901 1.00 52.44 C ATOM 485 CD LYS A 30 0.638 13.729 1.659 1.00 51.34 C ATOM 486 CE LYS A 30 1.454 15.001 1.916 1.00 71.32 C ATOM 487 NZ LYS A 30 0.711 16.021 2.686 1.00 22.44 N ATOM 0 H LYS A 30 -0.250 11.684 0.997 1.00 20.24 H new ATOM 0 HA LYS A 30 1.705 9.738 1.836 1.00 44.25 H new ATOM 0 HB2 LYS A 30 1.727 11.367 3.887 1.00 13.40 H new ATOM 0 HB3 LYS A 30 2.372 11.935 2.360 1.00 13.40 H new ATOM 0 HG2 LYS A 30 -0.536 12.464 2.964 1.00 52.44 H new ATOM 0 HG3 LYS A 30 0.674 13.416 3.800 1.00 52.44 H new ATOM 0 HD2 LYS A 30 1.113 13.158 0.861 1.00 51.34 H new ATOM 0 HD3 LYS A 30 -0.353 14.009 1.303 1.00 51.34 H new ATOM 0 HE2 LYS A 30 2.364 14.739 2.455 1.00 71.32 H new ATOM 0 HE3 LYS A 30 1.761 15.428 0.961 1.00 71.32 H new ATOM 0 HZ1 LYS A 30 1.314 16.856 2.828 1.00 22.44 H new ATOM 0 HZ2 LYS A 30 -0.144 16.296 2.162 1.00 22.44 H new ATOM 0 HZ3 LYS A 30 0.440 15.629 3.610 1.00 22.44 H new ATOM 501 N TYR A 31 -1.298 9.840 3.158 1.00 15.00 N ATOM 502 CA TYR A 31 -2.254 9.130 3.988 1.00 35.21 C ATOM 503 C TYR A 31 -3.575 9.090 3.237 1.00 52.23 C ATOM 504 O TYR A 31 -3.937 10.083 2.607 1.00 24.24 O ATOM 505 CB TYR A 31 -2.434 9.808 5.360 1.00 43.43 C ATOM 506 CG TYR A 31 -2.831 11.275 5.314 1.00 42.05 C ATOM 507 CD1 TYR A 31 -4.178 11.658 5.157 1.00 20.13 C ATOM 508 CD2 TYR A 31 -1.837 12.264 5.401 1.00 55.41 C ATOM 509 CE1 TYR A 31 -4.527 13.017 5.076 1.00 44.02 C ATOM 510 CE2 TYR A 31 -2.174 13.625 5.322 1.00 43.03 C ATOM 511 CZ TYR A 31 -3.525 14.007 5.168 1.00 73.33 C ATOM 512 OH TYR A 31 -3.872 15.319 5.091 1.00 2.04 O ATOM 0 H TYR A 31 -1.732 10.549 2.567 1.00 15.00 H new ATOM 0 HA TYR A 31 -1.889 8.122 4.184 1.00 35.21 H new ATOM 0 HB2 TYR A 31 -3.192 9.261 5.920 1.00 43.43 H new ATOM 0 HB3 TYR A 31 -1.501 9.719 5.916 1.00 43.43 H new ATOM 0 HD1 TYR A 31 -4.947 10.902 5.099 1.00 20.13 H new ATOM 0 HD2 TYR A 31 -0.804 11.975 5.530 1.00 55.41 H new ATOM 0 HE1 TYR A 31 -5.560 13.303 4.944 1.00 44.02 H new ATOM 0 HE2 TYR A 31 -1.402 14.378 5.379 1.00 43.03 H new ATOM 0 HH TYR A 31 -3.069 15.875 5.172 1.00 2.04 H new ATOM 522 N LEU A 32 -4.306 7.979 3.338 1.00 33.13 N ATOM 523 CA LEU A 32 -5.731 7.952 3.022 1.00 40.14 C ATOM 524 C LEU A 32 -6.471 8.531 4.230 1.00 20.45 C ATOM 525 O LEU A 32 -6.001 8.413 5.368 1.00 35.42 O ATOM 526 CB LEU A 32 -6.209 6.513 2.741 1.00 31.52 C ATOM 527 CG LEU A 32 -5.646 5.896 1.446 1.00 60.44 C ATOM 528 CD1 LEU A 32 -5.770 4.371 1.464 1.00 33.23 C ATOM 529 CD2 LEU A 32 -6.359 6.385 0.188 1.00 15.45 C ATOM 0 H LEU A 32 -3.929 7.080 3.639 1.00 33.13 H new ATOM 0 HA LEU A 32 -5.930 8.537 2.124 1.00 40.14 H new ATOM 0 HB2 LEU A 32 -5.929 5.879 3.582 1.00 31.52 H new ATOM 0 HB3 LEU A 32 -7.298 6.509 2.687 1.00 31.52 H new ATOM 0 HG LEU A 32 -4.603 6.211 1.414 1.00 60.44 H new ATOM 0 HD11 LEU A 32 -5.365 3.962 0.538 1.00 33.23 H new ATOM 0 HD12 LEU A 32 -5.214 3.971 2.311 1.00 33.23 H new ATOM 0 HD13 LEU A 32 -6.820 4.092 1.555 1.00 33.23 H new ATOM 0 HD21 LEU A 32 -5.915 5.913 -0.689 1.00 15.45 H new ATOM 0 HD22 LEU A 32 -7.416 6.124 0.244 1.00 15.45 H new ATOM 0 HD23 LEU A 32 -6.256 7.467 0.109 1.00 15.45 H new ATOM 541 N SER A 33 -7.639 9.115 3.986 1.00 3.25 N ATOM 542 CA SER A 33 -8.582 9.559 5.006 1.00 0.44 C ATOM 543 C SER A 33 -9.716 8.540 5.120 1.00 43.31 C ATOM 544 O SER A 33 -9.672 7.508 4.454 1.00 2.03 O ATOM 545 CB SER A 33 -9.023 10.986 4.675 1.00 55.41 C ATOM 546 OG SER A 33 -7.865 11.803 4.723 1.00 34.25 O ATOM 0 H SER A 33 -7.967 9.299 3.038 1.00 3.25 H new ATOM 0 HA SER A 33 -8.130 9.604 5.997 1.00 0.44 H new ATOM 0 HB2 SER A 33 -9.483 11.028 3.688 1.00 55.41 H new ATOM 0 HB3 SER A 33 -9.769 11.334 5.389 1.00 55.41 H new ATOM 0 HG SER A 33 -8.109 12.729 4.514 1.00 34.25 H new ATOM 552 N LEU A 34 -10.677 8.747 6.020 1.00 53.44 N ATOM 553 CA LEU A 34 -11.557 7.669 6.467 1.00 31.41 C ATOM 554 C LEU A 34 -12.498 7.228 5.347 1.00 20.25 C ATOM 555 O LEU A 34 -12.686 6.026 5.151 1.00 52.03 O ATOM 556 CB LEU A 34 -12.305 8.111 7.738 1.00 13.15 C ATOM 557 CG LEU A 34 -11.546 7.828 9.052 1.00 52.10 C ATOM 558 CD1 LEU A 34 -11.655 6.355 9.456 1.00 64.43 C ATOM 559 CD2 LEU A 34 -10.057 8.200 9.023 1.00 32.13 C ATOM 0 H LEU A 34 -10.865 9.651 6.453 1.00 53.44 H new ATOM 0 HA LEU A 34 -10.962 6.792 6.721 1.00 31.41 H new ATOM 0 HB2 LEU A 34 -12.509 9.180 7.673 1.00 13.15 H new ATOM 0 HB3 LEU A 34 -13.269 7.604 7.773 1.00 13.15 H new ATOM 0 HG LEU A 34 -12.036 8.473 9.781 1.00 52.10 H new ATOM 0 HD11 LEU A 34 -11.109 6.191 10.385 1.00 64.43 H new ATOM 0 HD12 LEU A 34 -12.703 6.094 9.600 1.00 64.43 H new ATOM 0 HD13 LEU A 34 -11.230 5.730 8.671 1.00 64.43 H new ATOM 0 HD21 LEU A 34 -9.605 7.967 9.987 1.00 32.13 H new ATOM 0 HD22 LEU A 34 -9.555 7.632 8.240 1.00 32.13 H new ATOM 0 HD23 LEU A 34 -9.952 9.266 8.821 1.00 32.13 H new ATOM 571 N THR A 35 -13.020 8.183 4.580 1.00 15.01 N ATOM 572 CA THR A 35 -13.785 7.909 3.369 1.00 64.21 C ATOM 573 C THR A 35 -12.876 7.196 2.360 1.00 43.31 C ATOM 574 O THR A 35 -13.187 6.108 1.888 1.00 2.03 O ATOM 575 CB THR A 35 -14.327 9.228 2.788 1.00 24.53 C ATOM 576 OG1 THR A 35 -14.786 10.092 3.820 1.00 35.43 O ATOM 577 CG2 THR A 35 -15.448 8.969 1.782 1.00 12.14 C ATOM 0 H THR A 35 -12.922 9.177 4.785 1.00 15.01 H new ATOM 0 HA THR A 35 -14.635 7.265 3.596 1.00 64.21 H new ATOM 0 HB THR A 35 -13.503 9.717 2.268 1.00 24.53 H new ATOM 0 HG1 THR A 35 -15.123 10.923 3.425 1.00 35.43 H new ATOM 0 HG21 THR A 35 -15.811 9.919 1.389 1.00 12.14 H new ATOM 0 HG22 THR A 35 -15.068 8.359 0.963 1.00 12.14 H new ATOM 0 HG23 THR A 35 -16.266 8.445 2.276 1.00 12.14 H new ATOM 585 N GLU A 36 -11.717 7.786 2.061 1.00 61.11 N ATOM 586 CA GLU A 36 -10.797 7.310 1.037 1.00 13.05 C ATOM 587 C GLU A 36 -10.427 5.846 1.279 1.00 14.32 C ATOM 588 O GLU A 36 -10.545 5.006 0.396 1.00 73.14 O ATOM 589 CB GLU A 36 -9.534 8.180 1.018 1.00 2.02 C ATOM 590 CG GLU A 36 -9.747 9.697 0.875 1.00 20.15 C ATOM 591 CD GLU A 36 -10.266 10.133 -0.500 1.00 11.01 C ATOM 592 OE1 GLU A 36 -10.406 9.286 -1.412 1.00 33.21 O ATOM 593 OE2 GLU A 36 -10.421 11.354 -0.710 1.00 15.42 O ATOM 0 H GLU A 36 -11.389 8.626 2.537 1.00 61.11 H new ATOM 0 HA GLU A 36 -11.292 7.382 0.069 1.00 13.05 H new ATOM 0 HB2 GLU A 36 -8.981 7.999 1.940 1.00 2.02 H new ATOM 0 HB3 GLU A 36 -8.902 7.845 0.196 1.00 2.02 H new ATOM 0 HG2 GLU A 36 -10.452 10.027 1.638 1.00 20.15 H new ATOM 0 HG3 GLU A 36 -8.803 10.205 1.072 1.00 20.15 H new ATOM 600 N ARG A 37 -10.010 5.515 2.499 1.00 11.35 N ATOM 601 CA ARG A 37 -9.577 4.172 2.854 1.00 14.01 C ATOM 602 C ARG A 37 -10.734 3.188 2.795 1.00 34.34 C ATOM 603 O ARG A 37 -10.494 2.006 2.554 1.00 42.32 O ATOM 604 CB ARG A 37 -8.965 4.209 4.256 1.00 33.41 C ATOM 605 CG ARG A 37 -7.802 3.219 4.456 1.00 63.44 C ATOM 606 CD ARG A 37 -7.457 2.992 5.935 1.00 14.31 C ATOM 607 NE ARG A 37 -7.611 4.202 6.766 1.00 52.13 N ATOM 608 CZ ARG A 37 -6.756 5.217 6.930 1.00 24.11 C ATOM 609 NH1 ARG A 37 -5.570 5.209 6.332 1.00 43.03 N ATOM 610 NH2 ARG A 37 -7.093 6.229 7.726 1.00 21.25 N ATOM 0 H ARG A 37 -9.964 6.178 3.272 1.00 11.35 H new ATOM 0 HA ARG A 37 -8.830 3.832 2.136 1.00 14.01 H new ATOM 0 HB2 ARG A 37 -8.609 5.219 4.460 1.00 33.41 H new ATOM 0 HB3 ARG A 37 -9.744 3.992 4.987 1.00 33.41 H new ATOM 0 HG2 ARG A 37 -8.062 2.264 3.998 1.00 63.44 H new ATOM 0 HG3 ARG A 37 -6.920 3.593 3.936 1.00 63.44 H new ATOM 0 HD2 ARG A 37 -8.096 2.204 6.333 1.00 14.31 H new ATOM 0 HD3 ARG A 37 -6.429 2.637 6.010 1.00 14.31 H new ATOM 0 HE ARG A 37 -8.487 4.274 7.284 1.00 52.13 H new ATOM 0 HH11 ARG A 37 -5.303 4.423 5.740 1.00 43.03 H new ATOM 0 HH12 ARG A 37 -4.927 5.989 6.465 1.00 43.03 H new ATOM 0 HH21 ARG A 37 -7.995 6.224 8.203 1.00 21.25 H new ATOM 0 HH22 ARG A 37 -6.450 7.009 7.859 1.00 21.25 H new ATOM 624 N SER A 38 -11.962 3.628 3.076 1.00 44.23 N ATOM 625 CA SER A 38 -13.142 2.798 2.858 1.00 40.20 C ATOM 626 C SER A 38 -13.225 2.456 1.371 1.00 35.41 C ATOM 627 O SER A 38 -13.368 1.277 1.042 1.00 40.40 O ATOM 628 CB SER A 38 -14.413 3.491 3.368 1.00 73.53 C ATOM 629 OG SER A 38 -15.561 2.677 3.181 1.00 60.13 O ATOM 0 H SER A 38 -12.162 4.554 3.454 1.00 44.23 H new ATOM 0 HA SER A 38 -13.056 1.873 3.429 1.00 40.20 H new ATOM 0 HB2 SER A 38 -14.301 3.726 4.427 1.00 73.53 H new ATOM 0 HB3 SER A 38 -14.548 4.437 2.844 1.00 73.53 H new ATOM 0 HG SER A 38 -16.353 3.146 3.517 1.00 60.13 H new ATOM 635 N GLN A 39 -13.115 3.458 0.492 1.00 42.22 N ATOM 636 CA GLN A 39 -13.238 3.281 -0.951 1.00 54.41 C ATOM 637 C GLN A 39 -12.192 2.274 -1.435 1.00 75.11 C ATOM 638 O GLN A 39 -12.555 1.271 -2.043 1.00 60.20 O ATOM 639 CB GLN A 39 -13.158 4.639 -1.684 1.00 21.52 C ATOM 640 CG GLN A 39 -14.316 5.583 -1.285 1.00 43.21 C ATOM 641 CD GLN A 39 -14.158 7.058 -1.676 1.00 2.23 C ATOM 642 OE1 GLN A 39 -15.151 7.767 -1.822 1.00 3.01 O ATOM 643 NE2 GLN A 39 -12.944 7.576 -1.798 1.00 34.25 N ATOM 0 H GLN A 39 -12.936 4.423 0.770 1.00 42.22 H new ATOM 0 HA GLN A 39 -14.220 2.871 -1.189 1.00 54.41 H new ATOM 0 HB2 GLN A 39 -12.206 5.118 -1.457 1.00 21.52 H new ATOM 0 HB3 GLN A 39 -13.182 4.471 -2.761 1.00 21.52 H new ATOM 0 HG2 GLN A 39 -15.234 5.207 -1.735 1.00 43.21 H new ATOM 0 HG3 GLN A 39 -14.445 5.528 -0.204 1.00 43.21 H new ATOM 0 HE21 GLN A 39 -12.122 6.984 -1.676 1.00 34.25 H new ATOM 0 HE22 GLN A 39 -12.831 8.567 -2.014 1.00 34.25 H new ATOM 652 N ILE A 40 -10.916 2.465 -1.085 1.00 72.14 N ATOM 653 CA ILE A 40 -9.815 1.588 -1.513 1.00 52.02 C ATOM 654 C ILE A 40 -9.893 0.200 -0.856 1.00 3.33 C ATOM 655 O ILE A 40 -9.177 -0.715 -1.244 1.00 42.10 O ATOM 656 CB ILE A 40 -8.458 2.318 -1.287 1.00 43.22 C ATOM 657 CG1 ILE A 40 -8.414 3.720 -1.938 1.00 72.11 C ATOM 658 CG2 ILE A 40 -7.227 1.534 -1.783 1.00 63.50 C ATOM 659 CD1 ILE A 40 -9.003 3.752 -3.347 1.00 60.20 C ATOM 0 H ILE A 40 -10.613 3.238 -0.492 1.00 72.14 H new ATOM 0 HA ILE A 40 -9.904 1.387 -2.581 1.00 52.02 H new ATOM 0 HB ILE A 40 -8.404 2.404 -0.202 1.00 43.22 H new ATOM 0 HG12 ILE A 40 -8.959 4.423 -1.308 1.00 72.11 H new ATOM 0 HG13 ILE A 40 -7.380 4.063 -1.976 1.00 72.11 H new ATOM 0 HG21 ILE A 40 -6.324 2.113 -1.588 1.00 63.50 H new ATOM 0 HG22 ILE A 40 -7.167 0.580 -1.258 1.00 63.50 H new ATOM 0 HG23 ILE A 40 -7.318 1.354 -2.854 1.00 63.50 H new ATOM 0 HD11 ILE A 40 -8.940 4.765 -3.745 1.00 60.20 H new ATOM 0 HD12 ILE A 40 -8.443 3.074 -3.991 1.00 60.20 H new ATOM 0 HD13 ILE A 40 -10.047 3.440 -3.312 1.00 60.20 H new ATOM 671 N ALA A 41 -10.787 0.002 0.106 1.00 60.53 N ATOM 672 CA ALA A 41 -11.041 -1.309 0.689 1.00 60.41 C ATOM 673 C ALA A 41 -12.188 -1.991 -0.037 1.00 54.11 C ATOM 674 O ALA A 41 -12.016 -3.092 -0.559 1.00 51.33 O ATOM 675 CB ALA A 41 -11.274 -1.189 2.198 1.00 74.54 C ATOM 0 H ALA A 41 -11.357 0.748 0.504 1.00 60.53 H new ATOM 0 HA ALA A 41 -10.163 -1.943 0.561 1.00 60.41 H new ATOM 0 HB1 ALA A 41 -11.462 -2.178 2.617 1.00 74.54 H new ATOM 0 HB2 ALA A 41 -10.391 -0.757 2.669 1.00 74.54 H new ATOM 0 HB3 ALA A 41 -12.135 -0.547 2.383 1.00 74.54 H new ATOM 681 N HIS A 42 -13.353 -1.343 -0.063 1.00 54.30 N ATOM 682 CA HIS A 42 -14.557 -1.875 -0.677 1.00 73.21 C ATOM 683 C HIS A 42 -14.344 -2.141 -2.170 1.00 42.30 C ATOM 684 O HIS A 42 -14.716 -3.218 -2.638 1.00 61.43 O ATOM 685 CB HIS A 42 -15.720 -0.917 -0.406 1.00 51.00 C ATOM 686 CG HIS A 42 -16.990 -1.301 -1.118 1.00 2.12 C ATOM 687 ND1 HIS A 42 -17.860 -2.313 -0.788 1.00 34.53 N ATOM 688 CD2 HIS A 42 -17.454 -0.707 -2.253 1.00 43.40 C ATOM 689 CE1 HIS A 42 -18.848 -2.303 -1.701 1.00 13.03 C ATOM 690 NE2 HIS A 42 -18.656 -1.326 -2.607 1.00 74.40 N ATOM 0 H HIS A 42 -13.482 -0.419 0.350 1.00 54.30 H new ATOM 0 HA HIS A 42 -14.803 -2.840 -0.234 1.00 73.21 H new ATOM 0 HB2 HIS A 42 -15.910 -0.882 0.667 1.00 51.00 H new ATOM 0 HB3 HIS A 42 -15.431 0.089 -0.711 1.00 51.00 H new ATOM 0 HD2 HIS A 42 -16.976 0.101 -2.786 1.00 43.40 H new ATOM 0 HE1 HIS A 42 -19.684 -2.987 -1.706 1.00 13.03 H new ATOM 0 HE2 HIS A 42 -19.263 -1.087 -3.391 1.00 74.40 H new ATOM 698 N ALA A 43 -13.689 -1.219 -2.891 1.00 1.23 N ATOM 699 CA ALA A 43 -13.412 -1.368 -4.318 1.00 0.31 C ATOM 700 C ALA A 43 -12.487 -2.547 -4.617 1.00 21.45 C ATOM 701 O ALA A 43 -12.475 -3.066 -5.733 1.00 13.32 O ATOM 702 CB ALA A 43 -12.778 -0.089 -4.867 1.00 61.20 C ATOM 0 H ALA A 43 -13.337 -0.348 -2.494 1.00 1.23 H new ATOM 0 HA ALA A 43 -14.369 -1.560 -4.804 1.00 0.31 H new ATOM 0 HB1 ALA A 43 -12.576 -0.211 -5.931 1.00 61.20 H new ATOM 0 HB2 ALA A 43 -13.461 0.747 -4.721 1.00 61.20 H new ATOM 0 HB3 ALA A 43 -11.844 0.109 -4.341 1.00 61.20 H new ATOM 708 N LEU A 44 -11.717 -2.987 -3.619 1.00 71.54 N ATOM 709 CA LEU A 44 -10.797 -4.105 -3.733 1.00 62.44 C ATOM 710 C LEU A 44 -11.362 -5.355 -3.078 1.00 23.55 C ATOM 711 O LEU A 44 -10.669 -6.370 -3.065 1.00 34.23 O ATOM 712 CB LEU A 44 -9.433 -3.741 -3.120 1.00 53.40 C ATOM 713 CG LEU A 44 -8.673 -2.663 -3.907 1.00 53.30 C ATOM 714 CD1 LEU A 44 -7.305 -2.451 -3.263 1.00 1.03 C ATOM 715 CD2 LEU A 44 -8.499 -3.055 -5.379 1.00 22.25 C ATOM 0 H LEU A 44 -11.721 -2.562 -2.692 1.00 71.54 H new ATOM 0 HA LEU A 44 -10.658 -4.320 -4.793 1.00 62.44 H new ATOM 0 HB2 LEU A 44 -9.584 -3.394 -2.098 1.00 53.40 H new ATOM 0 HB3 LEU A 44 -8.818 -4.639 -3.064 1.00 53.40 H new ATOM 0 HG LEU A 44 -9.253 -1.741 -3.878 1.00 53.30 H new ATOM 0 HD11 LEU A 44 -6.757 -1.687 -3.815 1.00 1.03 H new ATOM 0 HD12 LEU A 44 -7.435 -2.129 -2.230 1.00 1.03 H new ATOM 0 HD13 LEU A 44 -6.744 -3.385 -3.284 1.00 1.03 H new ATOM 0 HD21 LEU A 44 -7.957 -2.268 -5.903 1.00 22.25 H new ATOM 0 HD22 LEU A 44 -7.938 -3.987 -5.443 1.00 22.25 H new ATOM 0 HD23 LEU A 44 -9.478 -3.189 -5.838 1.00 22.25 H new ATOM 727 N LYS A 45 -12.588 -5.319 -2.553 1.00 0.25 N ATOM 728 CA LYS A 45 -13.254 -6.398 -1.843 1.00 24.33 C ATOM 729 C LYS A 45 -12.569 -6.760 -0.516 1.00 40.33 C ATOM 730 O LYS A 45 -12.986 -7.709 0.147 1.00 25.25 O ATOM 731 CB LYS A 45 -13.426 -7.575 -2.827 1.00 24.54 C ATOM 732 CG LYS A 45 -14.813 -8.224 -2.814 1.00 14.21 C ATOM 733 CD LYS A 45 -14.895 -9.494 -1.960 1.00 62.43 C ATOM 734 CE LYS A 45 -15.498 -9.233 -0.583 1.00 24.34 C ATOM 735 NZ LYS A 45 -15.241 -10.372 0.320 1.00 42.02 N ATOM 0 H LYS A 45 -13.171 -4.485 -2.619 1.00 0.25 H new ATOM 0 HA LYS A 45 -14.243 -6.079 -1.515 1.00 24.33 H new ATOM 0 HB2 LYS A 45 -13.215 -7.221 -3.836 1.00 24.54 H new ATOM 0 HB3 LYS A 45 -12.682 -8.337 -2.595 1.00 24.54 H new ATOM 0 HG2 LYS A 45 -15.539 -7.500 -2.443 1.00 14.21 H new ATOM 0 HG3 LYS A 45 -15.100 -8.467 -3.837 1.00 14.21 H new ATOM 0 HD2 LYS A 45 -15.495 -10.240 -2.481 1.00 62.43 H new ATOM 0 HD3 LYS A 45 -13.896 -9.914 -1.842 1.00 62.43 H new ATOM 0 HE2 LYS A 45 -15.072 -8.323 -0.160 1.00 24.34 H new ATOM 0 HE3 LYS A 45 -16.572 -9.070 -0.675 1.00 24.34 H new ATOM 0 HZ1 LYS A 45 -15.658 -10.177 1.252 1.00 42.02 H new ATOM 0 HZ2 LYS A 45 -15.668 -11.233 -0.077 1.00 42.02 H new ATOM 0 HZ3 LYS A 45 -14.215 -10.510 0.422 1.00 42.02 H new ATOM 749 N LEU A 46 -11.567 -5.991 -0.084 1.00 63.42 N ATOM 750 CA LEU A 46 -10.812 -6.207 1.152 1.00 35.35 C ATOM 751 C LEU A 46 -11.543 -5.586 2.343 1.00 70.33 C ATOM 752 O LEU A 46 -12.425 -4.744 2.167 1.00 12.41 O ATOM 753 CB LEU A 46 -9.408 -5.592 1.003 1.00 33.25 C ATOM 754 CG LEU A 46 -8.472 -6.499 0.184 1.00 60.34 C ATOM 755 CD1 LEU A 46 -7.293 -5.675 -0.330 1.00 35.45 C ATOM 756 CD2 LEU A 46 -7.923 -7.675 1.010 1.00 13.04 C ATOM 0 H LEU A 46 -11.248 -5.173 -0.603 1.00 63.42 H new ATOM 0 HA LEU A 46 -10.720 -7.278 1.334 1.00 35.35 H new ATOM 0 HB2 LEU A 46 -9.487 -4.619 0.519 1.00 33.25 H new ATOM 0 HB3 LEU A 46 -8.978 -5.423 1.990 1.00 33.25 H new ATOM 0 HG LEU A 46 -9.057 -6.908 -0.639 1.00 60.34 H new ATOM 0 HD11 LEU A 46 -6.628 -6.314 -0.911 1.00 35.45 H new ATOM 0 HD12 LEU A 46 -7.662 -4.867 -0.961 1.00 35.45 H new ATOM 0 HD13 LEU A 46 -6.747 -5.255 0.515 1.00 35.45 H new ATOM 0 HD21 LEU A 46 -7.269 -8.284 0.386 1.00 13.04 H new ATOM 0 HD22 LEU A 46 -7.359 -7.291 1.860 1.00 13.04 H new ATOM 0 HD23 LEU A 46 -8.752 -8.285 1.370 1.00 13.04 H new ATOM 768 N SER A 47 -11.147 -5.937 3.571 1.00 2.14 N ATOM 769 CA SER A 47 -11.594 -5.178 4.739 1.00 23.42 C ATOM 770 C SER A 47 -10.691 -3.961 4.892 1.00 44.22 C ATOM 771 O SER A 47 -9.505 -4.029 4.558 1.00 73.52 O ATOM 772 CB SER A 47 -11.531 -6.024 6.018 1.00 4.32 C ATOM 773 OG SER A 47 -12.477 -7.078 5.942 1.00 43.21 O ATOM 0 H SER A 47 -10.532 -6.724 3.778 1.00 2.14 H new ATOM 0 HA SER A 47 -12.631 -4.879 4.589 1.00 23.42 H new ATOM 0 HB2 SER A 47 -10.528 -6.431 6.147 1.00 4.32 H new ATOM 0 HB3 SER A 47 -11.736 -5.401 6.888 1.00 4.32 H new ATOM 0 HG SER A 47 -12.433 -7.617 6.759 1.00 43.21 H new ATOM 779 N GLU A 48 -11.228 -2.899 5.495 1.00 33.15 N ATOM 780 CA GLU A 48 -10.532 -1.655 5.808 1.00 44.22 C ATOM 781 C GLU A 48 -9.158 -1.921 6.420 1.00 13.11 C ATOM 782 O GLU A 48 -8.130 -1.392 6.003 1.00 75.43 O ATOM 783 CB GLU A 48 -11.391 -0.866 6.809 1.00 32.12 C ATOM 784 CG GLU A 48 -12.704 -0.352 6.205 1.00 74.12 C ATOM 785 CD GLU A 48 -13.149 0.932 6.903 1.00 43.00 C ATOM 786 OE1 GLU A 48 -13.383 0.928 8.132 1.00 1.44 O ATOM 787 OE2 GLU A 48 -13.248 1.986 6.239 1.00 53.30 O ATOM 0 H GLU A 48 -12.204 -2.885 5.791 1.00 33.15 H new ATOM 0 HA GLU A 48 -10.382 -1.091 4.887 1.00 44.22 H new ATOM 0 HB2 GLU A 48 -11.617 -1.502 7.665 1.00 32.12 H new ATOM 0 HB3 GLU A 48 -10.815 -0.020 7.184 1.00 32.12 H new ATOM 0 HG2 GLU A 48 -12.572 -0.166 5.139 1.00 74.12 H new ATOM 0 HG3 GLU A 48 -13.478 -1.113 6.303 1.00 74.12 H new ATOM 794 N VAL A 49 -9.155 -2.808 7.405 1.00 13.15 N ATOM 795 CA VAL A 49 -8.006 -3.209 8.181 1.00 52.21 C ATOM 796 C VAL A 49 -6.910 -3.787 7.284 1.00 45.04 C ATOM 797 O VAL A 49 -5.753 -3.416 7.450 1.00 23.24 O ATOM 798 CB VAL A 49 -8.524 -4.209 9.232 1.00 54.12 C ATOM 799 CG1 VAL A 49 -7.401 -4.795 10.074 1.00 52.33 C ATOM 800 CG2 VAL A 49 -9.551 -3.552 10.164 1.00 14.24 C ATOM 0 H VAL A 49 -10.006 -3.290 7.695 1.00 13.15 H new ATOM 0 HA VAL A 49 -7.536 -2.362 8.680 1.00 52.21 H new ATOM 0 HB VAL A 49 -8.997 -5.017 8.673 1.00 54.12 H new ATOM 0 HG11 VAL A 49 -7.817 -5.494 10.800 1.00 52.33 H new ATOM 0 HG12 VAL A 49 -6.697 -5.319 9.428 1.00 52.33 H new ATOM 0 HG13 VAL A 49 -6.883 -3.992 10.599 1.00 52.33 H new ATOM 0 HG21 VAL A 49 -9.898 -4.282 10.895 1.00 14.24 H new ATOM 0 HG22 VAL A 49 -9.087 -2.712 10.682 1.00 14.24 H new ATOM 0 HG23 VAL A 49 -10.398 -3.194 9.578 1.00 14.24 H new ATOM 810 N GLN A 50 -7.237 -4.652 6.318 1.00 34.52 N ATOM 811 CA GLN A 50 -6.234 -5.285 5.471 1.00 62.43 C ATOM 812 C GLN A 50 -5.425 -4.209 4.743 1.00 51.01 C ATOM 813 O GLN A 50 -4.196 -4.301 4.657 1.00 34.15 O ATOM 814 CB GLN A 50 -6.910 -6.215 4.445 1.00 22.25 C ATOM 815 CG GLN A 50 -7.903 -7.248 4.981 1.00 52.23 C ATOM 816 CD GLN A 50 -7.505 -7.919 6.291 1.00 45.23 C ATOM 817 OE1 GLN A 50 -8.135 -7.695 7.320 1.00 50.44 O ATOM 818 NE2 GLN A 50 -6.489 -8.764 6.301 1.00 45.14 N ATOM 0 H GLN A 50 -8.196 -4.928 6.107 1.00 34.52 H new ATOM 0 HA GLN A 50 -5.567 -5.880 6.095 1.00 62.43 H new ATOM 0 HB2 GLN A 50 -7.431 -5.592 3.717 1.00 22.25 H new ATOM 0 HB3 GLN A 50 -6.127 -6.748 3.906 1.00 22.25 H new ATOM 0 HG2 GLN A 50 -8.868 -6.761 5.120 1.00 52.23 H new ATOM 0 HG3 GLN A 50 -8.042 -8.020 4.224 1.00 52.23 H new ATOM 0 HE21 GLN A 50 -5.969 -8.946 5.443 1.00 45.14 H new ATOM 0 HE22 GLN A 50 -6.225 -9.234 7.167 1.00 45.14 H new ATOM 827 N VAL A 51 -6.132 -3.199 4.228 1.00 34.44 N ATOM 828 CA VAL A 51 -5.591 -2.085 3.469 1.00 53.20 C ATOM 829 C VAL A 51 -4.747 -1.207 4.388 1.00 24.14 C ATOM 830 O VAL A 51 -3.596 -0.907 4.063 1.00 11.13 O ATOM 831 CB VAL A 51 -6.748 -1.296 2.817 1.00 75.32 C ATOM 832 CG1 VAL A 51 -6.218 -0.231 1.845 1.00 64.50 C ATOM 833 CG2 VAL A 51 -7.703 -2.238 2.066 1.00 24.24 C ATOM 0 H VAL A 51 -7.144 -3.140 4.338 1.00 34.44 H new ATOM 0 HA VAL A 51 -4.945 -2.448 2.670 1.00 53.20 H new ATOM 0 HB VAL A 51 -7.292 -0.801 3.621 1.00 75.32 H new ATOM 0 HG11 VAL A 51 -7.056 0.307 1.402 1.00 64.50 H new ATOM 0 HG12 VAL A 51 -5.581 0.470 2.385 1.00 64.50 H new ATOM 0 HG13 VAL A 51 -5.640 -0.713 1.057 1.00 64.50 H new ATOM 0 HG21 VAL A 51 -8.508 -1.657 1.616 1.00 24.24 H new ATOM 0 HG22 VAL A 51 -7.155 -2.764 1.284 1.00 24.24 H new ATOM 0 HG23 VAL A 51 -8.124 -2.962 2.764 1.00 24.24 H new ATOM 843 N LYS A 52 -5.281 -0.805 5.551 1.00 0.01 N ATOM 844 CA LYS A 52 -4.549 0.061 6.476 1.00 54.21 C ATOM 845 C LYS A 52 -3.220 -0.587 6.882 1.00 60.23 C ATOM 846 O LYS A 52 -2.234 0.135 7.070 1.00 54.30 O ATOM 847 CB LYS A 52 -5.438 0.488 7.662 1.00 0.35 C ATOM 848 CG LYS A 52 -5.329 -0.316 8.958 1.00 32.52 C ATOM 849 CD LYS A 52 -6.466 0.122 9.904 1.00 70.54 C ATOM 850 CE LYS A 52 -6.715 -0.917 10.989 1.00 24.44 C ATOM 851 NZ LYS A 52 -7.950 -0.646 11.766 1.00 70.33 N ATOM 0 H LYS A 52 -6.214 -1.067 5.869 1.00 0.01 H new ATOM 0 HA LYS A 52 -4.285 0.990 5.970 1.00 54.21 H new ATOM 0 HB2 LYS A 52 -5.211 1.529 7.893 1.00 0.35 H new ATOM 0 HB3 LYS A 52 -6.476 0.453 7.332 1.00 0.35 H new ATOM 0 HG2 LYS A 52 -5.401 -1.383 8.749 1.00 32.52 H new ATOM 0 HG3 LYS A 52 -4.360 -0.148 9.428 1.00 32.52 H new ATOM 0 HD2 LYS A 52 -6.212 1.077 10.364 1.00 70.54 H new ATOM 0 HD3 LYS A 52 -7.380 0.278 9.330 1.00 70.54 H new ATOM 0 HE2 LYS A 52 -6.787 -1.904 10.532 1.00 24.44 H new ATOM 0 HE3 LYS A 52 -5.862 -0.941 11.667 1.00 24.44 H new ATOM 0 HZ1 LYS A 52 -8.091 -1.400 12.468 1.00 70.33 H new ATOM 0 HZ2 LYS A 52 -7.860 0.268 12.253 1.00 70.33 H new ATOM 0 HZ3 LYS A 52 -8.766 -0.616 11.122 1.00 70.33 H new ATOM 865 N ILE A 53 -3.171 -1.921 6.987 1.00 62.22 N ATOM 866 CA ILE A 53 -1.958 -2.666 7.298 1.00 5.25 C ATOM 867 C ILE A 53 -1.018 -2.693 6.086 1.00 61.34 C ATOM 868 O ILE A 53 0.189 -2.555 6.276 1.00 32.24 O ATOM 869 CB ILE A 53 -2.280 -4.087 7.822 1.00 43.42 C ATOM 870 CG1 ILE A 53 -3.136 -4.050 9.107 1.00 2.34 C ATOM 871 CG2 ILE A 53 -0.978 -4.844 8.155 1.00 63.21 C ATOM 872 CD1 ILE A 53 -3.888 -5.361 9.352 1.00 14.25 C ATOM 0 H ILE A 53 -3.989 -2.516 6.855 1.00 62.22 H new ATOM 0 HA ILE A 53 -1.438 -2.151 8.106 1.00 5.25 H new ATOM 0 HB ILE A 53 -2.835 -4.590 7.030 1.00 43.42 H new ATOM 0 HG12 ILE A 53 -2.493 -3.839 9.961 1.00 2.34 H new ATOM 0 HG13 ILE A 53 -3.853 -3.232 9.038 1.00 2.34 H new ATOM 0 HG21 ILE A 53 -1.221 -5.841 8.522 1.00 63.21 H new ATOM 0 HG22 ILE A 53 -0.366 -4.927 7.257 1.00 63.21 H new ATOM 0 HG23 ILE A 53 -0.426 -4.300 8.921 1.00 63.21 H new ATOM 0 HD11 ILE A 53 -4.473 -5.279 10.268 1.00 14.25 H new ATOM 0 HD12 ILE A 53 -4.554 -5.561 8.513 1.00 14.25 H new ATOM 0 HD13 ILE A 53 -3.173 -6.178 9.450 1.00 14.25 H new ATOM 884 N TRP A 54 -1.510 -2.851 4.852 1.00 31.51 N ATOM 885 CA TRP A 54 -0.630 -2.830 3.683 1.00 15.13 C ATOM 886 C TRP A 54 0.075 -1.479 3.590 1.00 44.13 C ATOM 887 O TRP A 54 1.303 -1.438 3.597 1.00 22.32 O ATOM 888 CB TRP A 54 -1.403 -3.147 2.397 1.00 44.31 C ATOM 889 CG TRP A 54 -0.528 -3.419 1.208 1.00 41.14 C ATOM 890 CD1 TRP A 54 -0.218 -4.655 0.758 1.00 22.43 C ATOM 891 CD2 TRP A 54 0.121 -2.483 0.280 1.00 75.21 C ATOM 892 NE1 TRP A 54 0.589 -4.559 -0.354 1.00 75.22 N ATOM 893 CE2 TRP A 54 0.836 -3.247 -0.691 1.00 61.33 C ATOM 894 CE3 TRP A 54 0.133 -1.078 0.108 1.00 32.25 C ATOM 895 CZ2 TRP A 54 1.561 -2.656 -1.735 1.00 74.54 C ATOM 896 CZ3 TRP A 54 0.841 -0.472 -0.952 1.00 23.15 C ATOM 897 CH2 TRP A 54 1.564 -1.260 -1.863 1.00 3.21 C ATOM 0 H TRP A 54 -2.498 -2.993 4.640 1.00 31.51 H new ATOM 0 HA TRP A 54 0.124 -3.608 3.801 1.00 15.13 H new ATOM 0 HB2 TRP A 54 -2.039 -4.014 2.573 1.00 44.31 H new ATOM 0 HB3 TRP A 54 -2.062 -2.310 2.166 1.00 44.31 H new ATOM 0 HD1 TRP A 54 -0.553 -5.580 1.204 1.00 22.43 H new ATOM 0 HE1 TRP A 54 0.958 -5.361 -0.865 1.00 75.22 H new ATOM 0 HE3 TRP A 54 -0.412 -0.456 0.803 1.00 32.25 H new ATOM 0 HZ2 TRP A 54 2.111 -3.269 -2.433 1.00 74.54 H new ATOM 0 HZ3 TRP A 54 0.827 0.602 -1.063 1.00 23.15 H new ATOM 0 HH2 TRP A 54 2.121 -0.791 -2.661 1.00 3.21 H new ATOM 908 N PHE A 55 -0.675 -0.371 3.561 1.00 62.34 N ATOM 909 CA PHE A 55 -0.084 0.953 3.380 1.00 20.33 C ATOM 910 C PHE A 55 0.941 1.276 4.473 1.00 33.15 C ATOM 911 O PHE A 55 1.942 1.929 4.175 1.00 53.04 O ATOM 912 CB PHE A 55 -1.164 2.041 3.348 1.00 61.24 C ATOM 913 CG PHE A 55 -1.837 2.283 2.006 1.00 52.02 C ATOM 914 CD1 PHE A 55 -2.946 1.510 1.609 1.00 41.21 C ATOM 915 CD2 PHE A 55 -1.408 3.346 1.181 1.00 33.42 C ATOM 916 CE1 PHE A 55 -3.622 1.807 0.412 1.00 64.24 C ATOM 917 CE2 PHE A 55 -2.081 3.627 -0.022 1.00 40.24 C ATOM 918 CZ PHE A 55 -3.179 2.850 -0.414 1.00 72.52 C ATOM 0 H PHE A 55 -1.690 -0.369 3.661 1.00 62.34 H new ATOM 0 HA PHE A 55 0.433 0.936 2.421 1.00 20.33 H new ATOM 0 HB2 PHE A 55 -1.934 1.781 4.075 1.00 61.24 H new ATOM 0 HB3 PHE A 55 -0.716 2.978 3.680 1.00 61.24 H new ATOM 0 HD1 PHE A 55 -3.278 0.687 2.225 1.00 41.21 H new ATOM 0 HD2 PHE A 55 -0.559 3.946 1.475 1.00 33.42 H new ATOM 0 HE1 PHE A 55 -4.488 1.228 0.127 1.00 64.24 H new ATOM 0 HE2 PHE A 55 -1.750 4.444 -0.645 1.00 40.24 H new ATOM 0 HZ PHE A 55 -3.682 3.053 -1.348 1.00 72.52 H new ATOM 928 N GLN A 56 0.718 0.854 5.728 1.00 0.34 N ATOM 929 CA GLN A 56 1.690 1.122 6.791 1.00 13.41 C ATOM 930 C GLN A 56 2.965 0.291 6.622 1.00 32.32 C ATOM 931 O GLN A 56 4.070 0.802 6.809 1.00 15.22 O ATOM 932 CB GLN A 56 1.093 0.965 8.198 1.00 52.44 C ATOM 933 CG GLN A 56 0.745 -0.464 8.571 1.00 21.55 C ATOM 934 CD GLN A 56 -0.022 -0.637 9.873 1.00 22.24 C ATOM 935 OE1 GLN A 56 0.472 -1.180 10.856 1.00 45.01 O ATOM 936 NE2 GLN A 56 -1.291 -0.282 9.855 1.00 52.44 N ATOM 0 H GLN A 56 -0.110 0.337 6.024 1.00 0.34 H new ATOM 0 HA GLN A 56 1.968 2.171 6.690 1.00 13.41 H new ATOM 0 HB2 GLN A 56 1.803 1.356 8.927 1.00 52.44 H new ATOM 0 HB3 GLN A 56 0.193 1.576 8.269 1.00 52.44 H new ATOM 0 HG2 GLN A 56 0.156 -0.898 7.763 1.00 21.55 H new ATOM 0 HG3 GLN A 56 1.669 -1.039 8.636 1.00 21.55 H new ATOM 0 HE21 GLN A 56 -1.683 0.168 9.028 1.00 52.44 H new ATOM 0 HE22 GLN A 56 -1.881 -0.458 10.668 1.00 52.44 H new ATOM 945 N ASN A 57 2.816 -0.978 6.244 1.00 63.23 N ATOM 946 CA ASN A 57 3.941 -1.873 6.032 1.00 63.24 C ATOM 947 C ASN A 57 4.774 -1.361 4.861 1.00 75.14 C ATOM 948 O ASN A 57 6.003 -1.429 4.879 1.00 15.23 O ATOM 949 CB ASN A 57 3.405 -3.293 5.768 1.00 14.01 C ATOM 950 CG ASN A 57 3.220 -4.073 7.065 1.00 14.43 C ATOM 951 OD1 ASN A 57 4.004 -4.966 7.378 1.00 30.31 O ATOM 952 ND2 ASN A 57 2.195 -3.760 7.846 1.00 45.02 N ATOM 0 H ASN A 57 1.907 -1.411 6.077 1.00 63.23 H new ATOM 0 HA ASN A 57 4.581 -1.906 6.913 1.00 63.24 H new ATOM 0 HB2 ASN A 57 2.453 -3.231 5.241 1.00 14.01 H new ATOM 0 HB3 ASN A 57 4.096 -3.828 5.116 1.00 14.01 H new ATOM 0 HD21 ASN A 57 2.048 -4.263 8.721 1.00 45.02 H new ATOM 0 HD22 ASN A 57 1.553 -3.016 7.572 1.00 45.02 H new ATOM 959 N GLU A 58 4.096 -0.816 3.853 1.00 21.55 N ATOM 960 CA GLU A 58 4.728 -0.372 2.623 1.00 32.33 C ATOM 961 C GLU A 58 5.416 0.964 2.857 1.00 34.50 C ATOM 962 O GLU A 58 6.575 1.127 2.483 1.00 34.50 O ATOM 963 CB GLU A 58 3.688 -0.259 1.502 1.00 72.13 C ATOM 964 CG GLU A 58 4.325 -0.221 0.100 1.00 40.01 C ATOM 965 CD GLU A 58 4.818 -1.587 -0.405 1.00 40.42 C ATOM 966 OE1 GLU A 58 4.894 -2.562 0.380 1.00 2.32 O ATOM 967 OE2 GLU A 58 5.192 -1.691 -1.597 1.00 60.22 O ATOM 0 H GLU A 58 3.086 -0.671 3.872 1.00 21.55 H new ATOM 0 HA GLU A 58 5.476 -1.104 2.318 1.00 32.33 H new ATOM 0 HB2 GLU A 58 3.002 -1.104 1.562 1.00 72.13 H new ATOM 0 HB3 GLU A 58 3.095 0.644 1.652 1.00 72.13 H new ATOM 0 HG2 GLU A 58 3.596 0.174 -0.608 1.00 40.01 H new ATOM 0 HG3 GLU A 58 5.165 0.474 0.113 1.00 40.01 H new ATOM 974 N ARG A 59 4.749 1.928 3.511 1.00 42.12 N ATOM 975 CA ARG A 59 5.362 3.221 3.748 1.00 60.34 C ATOM 976 C ARG A 59 6.646 3.080 4.533 1.00 22.44 C ATOM 977 O ARG A 59 7.591 3.814 4.272 1.00 40.31 O ATOM 978 CB ARG A 59 4.400 4.194 4.411 1.00 35.13 C ATOM 979 CG ARG A 59 4.124 3.961 5.890 1.00 35.50 C ATOM 980 CD ARG A 59 3.205 5.034 6.454 1.00 4.42 C ATOM 981 NE ARG A 59 3.199 4.998 7.922 1.00 24.10 N ATOM 982 CZ ARG A 59 2.385 5.703 8.711 1.00 43.41 C ATOM 983 NH1 ARG A 59 1.530 6.582 8.201 1.00 1.33 N ATOM 984 NH2 ARG A 59 2.450 5.506 10.018 1.00 34.11 N ATOM 0 H ARG A 59 3.801 1.829 3.875 1.00 42.12 H new ATOM 0 HA ARG A 59 5.615 3.644 2.776 1.00 60.34 H new ATOM 0 HB2 ARG A 59 4.795 5.203 4.291 1.00 35.13 H new ATOM 0 HB3 ARG A 59 3.452 4.157 3.875 1.00 35.13 H new ATOM 0 HG2 ARG A 59 3.669 2.980 6.028 1.00 35.50 H new ATOM 0 HG3 ARG A 59 5.064 3.957 6.442 1.00 35.50 H new ATOM 0 HD2 ARG A 59 3.532 6.016 6.111 1.00 4.42 H new ATOM 0 HD3 ARG A 59 2.193 4.886 6.078 1.00 4.42 H new ATOM 0 HE ARG A 59 3.873 4.383 8.377 1.00 24.10 H new ATOM 0 HH11 ARG A 59 1.488 6.727 7.192 1.00 1.33 H new ATOM 0 HH12 ARG A 59 0.915 7.112 8.818 1.00 1.33 H new ATOM 0 HH21 ARG A 59 3.111 4.829 10.399 1.00 34.11 H new ATOM 0 HH22 ARG A 59 1.839 6.031 10.644 1.00 34.11 H new ATOM 998 N ALA A 60 6.657 2.155 5.487 1.00 53.45 N ATOM 999 CA ALA A 60 7.830 1.869 6.290 1.00 62.31 C ATOM 1000 C ALA A 60 8.915 1.237 5.421 1.00 44.24 C ATOM 1001 O ALA A 60 10.040 1.744 5.405 1.00 4.13 O ATOM 1002 CB ALA A 60 7.467 0.985 7.480 1.00 13.10 C ATOM 0 H ALA A 60 5.846 1.582 5.722 1.00 53.45 H new ATOM 0 HA ALA A 60 8.224 2.802 6.692 1.00 62.31 H new ATOM 0 HB1 ALA A 60 8.361 0.783 8.069 1.00 13.10 H new ATOM 0 HB2 ALA A 60 6.731 1.495 8.101 1.00 13.10 H new ATOM 0 HB3 ALA A 60 7.049 0.045 7.121 1.00 13.10 H new ATOM 1008 N LYS A 61 8.590 0.169 4.675 1.00 63.02 N ATOM 1009 CA LYS A 61 9.587 -0.510 3.846 1.00 42.44 C ATOM 1010 C LYS A 61 10.170 0.427 2.799 1.00 75.11 C ATOM 1011 O LYS A 61 11.329 0.255 2.428 1.00 32.43 O ATOM 1012 CB LYS A 61 9.084 -1.852 3.296 1.00 1.02 C ATOM 1013 CG LYS A 61 8.280 -1.908 1.993 1.00 4.34 C ATOM 1014 CD LYS A 61 9.101 -1.954 0.693 1.00 63.53 C ATOM 1015 CE LYS A 61 8.350 -2.773 -0.371 1.00 31.13 C ATOM 1016 NZ LYS A 61 8.971 -2.673 -1.710 1.00 4.31 N ATOM 0 H LYS A 61 7.655 -0.236 4.631 1.00 63.02 H new ATOM 0 HA LYS A 61 10.424 -0.785 4.488 1.00 42.44 H new ATOM 0 HB2 LYS A 61 9.956 -2.492 3.163 1.00 1.02 H new ATOM 0 HB3 LYS A 61 8.470 -2.308 4.073 1.00 1.02 H new ATOM 0 HG2 LYS A 61 7.637 -2.788 2.024 1.00 4.34 H new ATOM 0 HG3 LYS A 61 7.626 -1.037 1.955 1.00 4.34 H new ATOM 0 HD2 LYS A 61 9.278 -0.942 0.328 1.00 63.53 H new ATOM 0 HD3 LYS A 61 10.077 -2.399 0.885 1.00 63.53 H new ATOM 0 HE2 LYS A 61 8.321 -3.819 -0.065 1.00 31.13 H new ATOM 0 HE3 LYS A 61 7.317 -2.429 -0.427 1.00 31.13 H new ATOM 0 HZ1 LYS A 61 8.426 -3.243 -2.389 1.00 4.31 H new ATOM 0 HZ2 LYS A 61 8.976 -1.679 -2.017 1.00 4.31 H new ATOM 0 HZ3 LYS A 61 9.948 -3.027 -1.667 1.00 4.31 H new ATOM 1030 N TRP A 62 9.396 1.416 2.346 1.00 32.20 N ATOM 1031 CA TRP A 62 9.873 2.420 1.421 1.00 33.12 C ATOM 1032 C TRP A 62 10.626 3.550 2.137 1.00 21.44 C ATOM 1033 O TRP A 62 11.619 4.026 1.603 1.00 73.01 O ATOM 1034 CB TRP A 62 8.722 2.957 0.560 1.00 63.24 C ATOM 1035 CG TRP A 62 9.173 3.495 -0.768 1.00 60.51 C ATOM 1036 CD1 TRP A 62 9.143 2.814 -1.935 1.00 55.04 C ATOM 1037 CD2 TRP A 62 9.837 4.758 -1.073 1.00 73.55 C ATOM 1038 NE1 TRP A 62 9.750 3.556 -2.930 1.00 33.53 N ATOM 1039 CE2 TRP A 62 10.263 4.734 -2.435 1.00 2.00 C ATOM 1040 CE3 TRP A 62 10.167 5.902 -0.322 1.00 44.25 C ATOM 1041 CZ2 TRP A 62 11.047 5.754 -2.996 1.00 44.34 C ATOM 1042 CZ3 TRP A 62 10.950 6.932 -0.876 1.00 14.14 C ATOM 1043 CH2 TRP A 62 11.407 6.854 -2.202 1.00 14.04 C ATOM 0 H TRP A 62 8.420 1.534 2.617 1.00 32.20 H new ATOM 0 HA TRP A 62 10.592 1.942 0.756 1.00 33.12 H new ATOM 0 HB2 TRP A 62 7.999 2.159 0.394 1.00 63.24 H new ATOM 0 HB3 TRP A 62 8.206 3.746 1.107 1.00 63.24 H new ATOM 0 HD1 TRP A 62 8.709 1.834 -2.070 1.00 55.04 H new ATOM 0 HE1 TRP A 62 9.810 3.268 -3.907 1.00 33.53 H new ATOM 0 HE3 TRP A 62 9.814 5.991 0.695 1.00 44.25 H new ATOM 0 HZ2 TRP A 62 11.369 5.693 -4.025 1.00 44.34 H new ATOM 0 HZ3 TRP A 62 11.203 7.793 -0.274 1.00 14.14 H new ATOM 0 HH2 TRP A 62 12.032 7.636 -2.608 1.00 14.04 H new ATOM 1054 N LYS A 63 10.223 4.005 3.334 1.00 1.40 N ATOM 1055 CA LYS A 63 10.924 5.099 4.028 1.00 60.25 C ATOM 1056 C LYS A 63 12.392 4.759 4.265 1.00 40.35 C ATOM 1057 O LYS A 63 13.232 5.645 4.125 1.00 12.52 O ATOM 1058 CB LYS A 63 10.246 5.497 5.356 1.00 21.04 C ATOM 1059 CG LYS A 63 9.164 6.586 5.183 1.00 72.35 C ATOM 1060 CD LYS A 63 9.068 7.511 6.408 1.00 15.23 C ATOM 1061 CE LYS A 63 10.085 8.653 6.309 1.00 41.44 C ATOM 1062 NZ LYS A 63 10.334 9.308 7.610 1.00 73.02 N ATOM 0 H LYS A 63 9.419 3.635 3.840 1.00 1.40 H new ATOM 0 HA LYS A 63 10.867 5.962 3.364 1.00 60.25 H new ATOM 0 HB2 LYS A 63 9.794 4.613 5.805 1.00 21.04 H new ATOM 0 HB3 LYS A 63 11.005 5.855 6.051 1.00 21.04 H new ATOM 0 HG2 LYS A 63 9.388 7.181 4.298 1.00 72.35 H new ATOM 0 HG3 LYS A 63 8.198 6.111 5.012 1.00 72.35 H new ATOM 0 HD2 LYS A 63 8.061 7.921 6.482 1.00 15.23 H new ATOM 0 HD3 LYS A 63 9.246 6.937 7.317 1.00 15.23 H new ATOM 0 HE2 LYS A 63 11.025 8.264 5.917 1.00 41.44 H new ATOM 0 HE3 LYS A 63 9.724 9.395 5.596 1.00 41.44 H new ATOM 0 HZ1 LYS A 63 11.029 10.072 7.487 1.00 73.02 H new ATOM 0 HZ2 LYS A 63 9.444 9.704 7.975 1.00 73.02 H new ATOM 0 HZ3 LYS A 63 10.704 8.609 8.285 1.00 73.02 H new ATOM 1076 N ARG A 64 12.726 3.497 4.546 1.00 74.15 N ATOM 1077 CA ARG A 64 14.124 3.078 4.690 1.00 33.33 C ATOM 1078 C ARG A 64 14.946 3.218 3.402 1.00 51.13 C ATOM 1079 O ARG A 64 16.172 3.134 3.432 1.00 31.43 O ATOM 1080 CB ARG A 64 14.173 1.646 5.248 1.00 33.42 C ATOM 1081 CG ARG A 64 13.674 1.615 6.705 1.00 61.33 C ATOM 1082 CD ARG A 64 14.209 0.413 7.506 1.00 2.21 C ATOM 1083 NE ARG A 64 14.910 0.840 8.736 1.00 23.12 N ATOM 1084 CZ ARG A 64 16.057 0.343 9.228 1.00 74.12 C ATOM 1085 NH1 ARG A 64 16.695 -0.664 8.641 1.00 13.14 N ATOM 1086 NH2 ARG A 64 16.598 0.840 10.333 1.00 32.11 N ATOM 0 H ARG A 64 12.048 2.747 4.679 1.00 74.15 H new ATOM 0 HA ARG A 64 14.598 3.759 5.396 1.00 33.33 H new ATOM 0 HB2 ARG A 64 13.558 0.989 4.633 1.00 33.42 H new ATOM 0 HB3 ARG A 64 15.193 1.265 5.199 1.00 33.42 H new ATOM 0 HG2 ARG A 64 13.972 2.537 7.204 1.00 61.33 H new ATOM 0 HG3 ARG A 64 12.584 1.589 6.708 1.00 61.33 H new ATOM 0 HD2 ARG A 64 13.381 -0.245 7.770 1.00 2.21 H new ATOM 0 HD3 ARG A 64 14.890 -0.165 6.882 1.00 2.21 H new ATOM 0 HE ARG A 64 14.476 1.594 9.269 1.00 23.12 H new ATOM 0 HH11 ARG A 64 16.315 -1.082 7.792 1.00 13.14 H new ATOM 0 HH12 ARG A 64 17.564 -1.019 9.040 1.00 13.14 H new ATOM 0 HH21 ARG A 64 16.142 1.611 10.822 1.00 32.11 H new ATOM 0 HH22 ARG A 64 17.469 0.451 10.694 1.00 32.11 H new ATOM 1100 N ILE A 65 14.305 3.454 2.260 1.00 32.13 N ATOM 1101 CA ILE A 65 14.956 3.678 0.968 1.00 61.11 C ATOM 1102 C ILE A 65 15.396 5.141 0.824 1.00 23.40 C ATOM 1103 O ILE A 65 16.242 5.443 -0.019 1.00 12.52 O ATOM 1104 CB ILE A 65 14.071 3.207 -0.212 1.00 74.03 C ATOM 1105 CG1 ILE A 65 13.530 1.785 0.062 1.00 60.41 C ATOM 1106 CG2 ILE A 65 14.884 3.273 -1.518 1.00 31.30 C ATOM 1107 CD1 ILE A 65 12.553 1.257 -0.993 1.00 0.54 C ATOM 0 H ILE A 65 13.287 3.496 2.204 1.00 32.13 H new ATOM 0 HA ILE A 65 15.857 3.065 0.935 1.00 61.11 H new ATOM 0 HB ILE A 65 13.209 3.866 -0.317 1.00 74.03 H new ATOM 0 HG12 ILE A 65 14.373 1.098 0.133 1.00 60.41 H new ATOM 0 HG13 ILE A 65 13.033 1.781 1.032 1.00 60.41 H new ATOM 0 HG21 ILE A 65 14.263 2.942 -2.350 1.00 31.30 H new ATOM 0 HG22 ILE A 65 15.209 4.299 -1.693 1.00 31.30 H new ATOM 0 HG23 ILE A 65 15.757 2.625 -1.436 1.00 31.30 H new ATOM 0 HD11 ILE A 65 12.227 0.254 -0.717 1.00 0.54 H new ATOM 0 HD12 ILE A 65 11.688 1.917 -1.050 1.00 0.54 H new ATOM 0 HD13 ILE A 65 13.048 1.223 -1.963 1.00 0.54 H new ATOM 1119 N LYS A 66 14.879 6.057 1.649 1.00 32.32 N ATOM 1120 CA LYS A 66 15.437 7.404 1.783 1.00 73.44 C ATOM 1121 C LYS A 66 16.766 7.277 2.529 1.00 63.21 C ATOM 1122 O LYS A 66 16.833 7.496 3.737 1.00 11.52 O ATOM 1123 CB LYS A 66 14.449 8.352 2.487 1.00 64.41 C ATOM 1124 CG LYS A 66 13.221 8.715 1.635 1.00 34.32 C ATOM 1125 CD LYS A 66 13.491 9.798 0.575 1.00 33.13 C ATOM 1126 CE LYS A 66 13.571 11.187 1.229 1.00 72.25 C ATOM 1127 NZ LYS A 66 14.111 12.213 0.314 1.00 1.31 N ATOM 0 H LYS A 66 14.065 5.886 2.240 1.00 32.32 H new ATOM 0 HA LYS A 66 15.614 7.848 0.804 1.00 73.44 H new ATOM 0 HB2 LYS A 66 14.112 7.887 3.414 1.00 64.41 H new ATOM 0 HB3 LYS A 66 14.972 9.268 2.762 1.00 64.41 H new ATOM 0 HG2 LYS A 66 12.859 7.816 1.136 1.00 34.32 H new ATOM 0 HG3 LYS A 66 12.423 9.057 2.294 1.00 34.32 H new ATOM 0 HD2 LYS A 66 14.424 9.581 0.055 1.00 33.13 H new ATOM 0 HD3 LYS A 66 12.699 9.788 -0.173 1.00 33.13 H new ATOM 0 HE2 LYS A 66 12.577 11.487 1.560 1.00 72.25 H new ATOM 0 HE3 LYS A 66 14.199 11.131 2.118 1.00 72.25 H new ATOM 0 HZ1 LYS A 66 14.129 13.134 0.797 1.00 1.31 H new ATOM 0 HZ2 LYS A 66 15.077 11.952 0.031 1.00 1.31 H new ATOM 0 HZ3 LYS A 66 13.508 12.277 -0.531 1.00 1.31 H new ATOM 1141 N ALA A 67 17.801 6.853 1.805 1.00 62.41 N ATOM 1142 CA ALA A 67 19.152 6.675 2.294 1.00 31.42 C ATOM 1143 C ALA A 67 19.655 8.007 2.848 1.00 62.45 C ATOM 1144 O ALA A 67 20.014 8.093 4.028 1.00 15.41 O ATOM 1145 CB ALA A 67 20.044 6.137 1.170 1.00 0.31 C ATOM 0 H ALA A 67 17.708 6.616 0.817 1.00 62.41 H new ATOM 0 HA ALA A 67 19.177 5.942 3.101 1.00 31.42 H new ATOM 0 HB1 ALA A 67 21.060 6.005 1.543 1.00 0.31 H new ATOM 0 HB2 ALA A 67 19.656 5.178 0.825 1.00 0.31 H new ATOM 0 HB3 ALA A 67 20.051 6.845 0.341 1.00 0.31 H new ATOM 1151 N GLY A 68 19.609 9.038 2.006 1.00 32.23 N ATOM 1152 CA GLY A 68 19.840 10.424 2.375 1.00 62.33 C ATOM 1153 C GLY A 68 20.380 11.311 1.252 1.00 11.41 C ATOM 1154 O GLY A 68 20.859 12.396 1.577 1.00 72.45 O ATOM 0 H GLY A 68 19.402 8.922 1.014 1.00 32.23 H new ATOM 0 HA2 GLY A 68 18.903 10.849 2.735 1.00 62.33 H new ATOM 0 HA3 GLY A 68 20.543 10.450 3.208 1.00 62.33 H new ATOM 1158 N ASN A 69 20.378 10.907 -0.026 1.00 23.44 N ATOM 1159 CA ASN A 69 21.133 11.602 -1.061 1.00 63.02 C ATOM 1160 C ASN A 69 20.499 11.439 -2.442 1.00 40.15 C ATOM 1161 O ASN A 69 21.166 11.636 -3.452 1.00 33.13 O ATOM 1162 CB ASN A 69 22.606 11.173 -1.025 1.00 0.20 C ATOM 1163 CG ASN A 69 23.458 12.365 -1.416 1.00 13.13 C ATOM 1164 OD1 ASN A 69 23.558 13.336 -0.665 1.00 15.22 O ATOM 1165 ND2 ASN A 69 24.019 12.366 -2.604 1.00 11.12 N ATOM 0 H ASN A 69 19.857 10.097 -0.362 1.00 23.44 H new ATOM 0 HA ASN A 69 21.100 12.671 -0.850 1.00 63.02 H new ATOM 0 HB2 ASN A 69 22.876 10.824 -0.028 1.00 0.20 H new ATOM 0 HB3 ASN A 69 22.777 10.343 -1.710 1.00 0.20 H new ATOM 0 HD21 ASN A 69 24.548 13.180 -2.918 1.00 11.12 H new ATOM 0 HD22 ASN A 69 23.926 11.553 -3.213 1.00 11.12 H new ATOM 1172 N VAL A 70 19.199 11.123 -2.486 1.00 21.14 N ATOM 1173 CA VAL A 70 18.372 11.001 -3.691 1.00 12.24 C ATOM 1174 C VAL A 70 18.345 12.281 -4.541 1.00 60.34 C ATOM 1175 O VAL A 70 17.844 12.256 -5.673 1.00 40.21 O ATOM 1176 CB VAL A 70 16.956 10.547 -3.256 1.00 33.14 C ATOM 1177 CG1 VAL A 70 16.212 11.584 -2.397 1.00 24.13 C ATOM 1178 CG2 VAL A 70 16.021 10.119 -4.394 1.00 20.11 C ATOM 0 H VAL A 70 18.668 10.936 -1.636 1.00 21.14 H new ATOM 0 HA VAL A 70 18.813 10.253 -4.350 1.00 12.24 H new ATOM 0 HB VAL A 70 17.186 9.664 -2.660 1.00 33.14 H new ATOM 0 HG11 VAL A 70 15.228 11.197 -2.130 1.00 24.13 H new ATOM 0 HG12 VAL A 70 16.783 11.781 -1.490 1.00 24.13 H new ATOM 0 HG13 VAL A 70 16.097 12.509 -2.962 1.00 24.13 H new ATOM 0 HG21 VAL A 70 15.058 9.821 -3.981 1.00 20.11 H new ATOM 0 HG22 VAL A 70 15.878 10.953 -5.081 1.00 20.11 H new ATOM 0 HG23 VAL A 70 16.462 9.279 -4.930 1.00 20.11 H new ATOM 1188 N SER A 71 18.822 13.402 -3.995 1.00 31.32 N ATOM 1189 CA SER A 71 18.933 14.656 -4.737 1.00 13.22 C ATOM 1190 C SER A 71 19.964 14.499 -5.855 1.00 75.01 C ATOM 1191 O SER A 71 19.631 14.877 -6.998 1.00 4.11 O ATOM 1192 CB SER A 71 19.249 15.844 -3.823 1.00 32.14 C ATOM 1193 OG SER A 71 18.252 15.981 -2.822 1.00 21.42 O ATOM 0 H SER A 71 19.141 13.464 -3.028 1.00 31.32 H new ATOM 0 HA SER A 71 17.965 14.879 -5.186 1.00 13.22 H new ATOM 0 HB2 SER A 71 20.224 15.702 -3.356 1.00 32.14 H new ATOM 0 HB3 SER A 71 19.308 16.759 -4.413 1.00 32.14 H new ATOM 0 HG SER A 71 18.470 16.743 -2.246 1.00 21.42 H new TER 1199 SER A 71