USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 503 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 19 GLN : amide:sc= -0.0976 X(o=-0.48,f=-0.028) USER MOD Set 1.2: A 20 ASN : amide:sc= -0.387 X(o=-0.48,f=-0.028) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -49:sc= 0.854 USER MOD Single : A 5 SER OG : rot 97:sc= 0.0201 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.221 USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= -0.158 (180deg=-0.203) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -81:sc= 0.0305 USER MOD Single : A 36 ASN : amide:sc= -0.0128 K(o=-0.013,f=-4.2!) USER MOD Single : A 37 LYS NZ :NH3+ 175:sc= 0.0745 (180deg=0.068) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.642 K(o=-0.64,f=0) USER MOD Single : A 59 ASN : amide:sc=-0.00903 X(o=-0.009,f=-0.45) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0269 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.476 -14.818 11.716 1.00 0.00 N ATOM 2 CA GLY A 1 9.989 -13.460 11.560 1.00 0.00 C ATOM 3 C GLY A 1 8.849 -13.363 10.566 1.00 0.00 C ATOM 4 O GLY A 1 7.751 -13.857 10.821 1.00 0.00 O ATOM 0 H1 GLY A 1 11.254 -14.831 12.406 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.704 -15.427 12.054 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.819 -15.171 10.800 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.656 -13.083 12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.808 -12.819 11.233 1.00 0.00 H new ATOM 8 N SER A 2 9.108 -12.723 9.431 1.00 0.00 N ATOM 9 CA SER A 2 8.093 -12.557 8.397 1.00 0.00 C ATOM 10 C SER A 2 7.539 -13.910 7.959 1.00 0.00 C ATOM 11 O SER A 2 6.326 -14.093 7.857 1.00 0.00 O ATOM 12 CB SER A 2 8.677 -11.818 7.192 1.00 0.00 C ATOM 13 OG SER A 2 9.214 -10.563 7.574 1.00 0.00 O ATOM 0 H SER A 2 10.013 -12.310 9.204 1.00 0.00 H new ATOM 0 HA SER A 2 7.277 -11.967 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.456 -12.425 6.732 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.901 -11.672 6.440 1.00 0.00 H new ATOM 0 HG SER A 2 9.582 -10.111 6.786 1.00 0.00 H new ATOM 19 N SER A 3 8.437 -14.854 7.700 1.00 0.00 N ATOM 20 CA SER A 3 8.040 -16.190 7.269 1.00 0.00 C ATOM 21 C SER A 3 7.092 -16.115 6.076 1.00 0.00 C ATOM 22 O SER A 3 6.123 -16.869 5.991 1.00 0.00 O ATOM 23 CB SER A 3 7.372 -16.943 8.420 1.00 0.00 C ATOM 24 OG SER A 3 6.014 -16.560 8.560 1.00 0.00 O ATOM 0 H SER A 3 9.445 -14.719 7.781 1.00 0.00 H new ATOM 0 HA SER A 3 8.937 -16.729 6.965 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.434 -18.016 8.241 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.907 -16.743 9.348 1.00 0.00 H new ATOM 0 HG SER A 3 5.949 -15.582 8.567 1.00 0.00 H new ATOM 30 N GLY A 4 7.378 -15.199 5.156 1.00 0.00 N ATOM 31 CA GLY A 4 6.543 -15.042 3.980 1.00 0.00 C ATOM 32 C GLY A 4 5.428 -14.036 4.191 1.00 0.00 C ATOM 33 O GLY A 4 4.339 -14.391 4.639 1.00 0.00 O ATOM 0 H GLY A 4 8.174 -14.563 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.160 -14.725 3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.112 -16.007 3.713 1.00 0.00 H new ATOM 37 N SER A 5 5.702 -12.776 3.869 1.00 0.00 N ATOM 38 CA SER A 5 4.716 -11.714 4.031 1.00 0.00 C ATOM 39 C SER A 5 3.486 -11.978 3.168 1.00 0.00 C ATOM 40 O SER A 5 3.527 -12.788 2.241 1.00 0.00 O ATOM 41 CB SER A 5 5.328 -10.360 3.665 1.00 0.00 C ATOM 42 OG SER A 5 5.729 -10.332 2.306 1.00 0.00 O ATOM 0 H SER A 5 6.599 -12.466 3.494 1.00 0.00 H new ATOM 0 HA SER A 5 4.408 -11.695 5.076 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.603 -9.568 3.850 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.187 -10.161 4.305 1.00 0.00 H new ATOM 0 HG SER A 5 5.025 -9.916 1.766 1.00 0.00 H new ATOM 48 N SER A 6 2.393 -11.289 3.479 1.00 0.00 N ATOM 49 CA SER A 6 1.149 -11.451 2.735 1.00 0.00 C ATOM 50 C SER A 6 1.149 -10.582 1.481 1.00 0.00 C ATOM 51 O SER A 6 0.922 -11.069 0.375 1.00 0.00 O ATOM 52 CB SER A 6 -0.048 -11.093 3.618 1.00 0.00 C ATOM 53 OG SER A 6 -1.263 -11.200 2.897 1.00 0.00 O ATOM 0 H SER A 6 2.343 -10.613 4.241 1.00 0.00 H new ATOM 0 HA SER A 6 1.069 -12.495 2.432 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.076 -11.754 4.484 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.066 -10.077 3.996 1.00 0.00 H new ATOM 0 HG SER A 6 -2.013 -10.968 3.483 1.00 0.00 H new ATOM 59 N GLY A 7 1.406 -9.290 1.664 1.00 0.00 N ATOM 60 CA GLY A 7 1.430 -8.372 0.540 1.00 0.00 C ATOM 61 C GLY A 7 2.833 -8.136 0.015 1.00 0.00 C ATOM 62 O GLY A 7 3.689 -9.016 0.096 1.00 0.00 O ATOM 0 H GLY A 7 1.598 -8.863 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.807 -8.768 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.994 -7.420 0.843 1.00 0.00 H new ATOM 66 N ASP A 8 3.067 -6.946 -0.527 1.00 0.00 N ATOM 67 CA ASP A 8 4.375 -6.597 -1.069 1.00 0.00 C ATOM 68 C ASP A 8 5.000 -5.448 -0.284 1.00 0.00 C ATOM 69 O ASP A 8 4.294 -4.590 0.247 1.00 0.00 O ATOM 70 CB ASP A 8 4.254 -6.216 -2.546 1.00 0.00 C ATOM 71 CG ASP A 8 5.506 -6.548 -3.334 1.00 0.00 C ATOM 72 OD1 ASP A 8 5.728 -7.743 -3.618 1.00 0.00 O ATOM 73 OD2 ASP A 8 6.264 -5.612 -3.665 1.00 0.00 O ATOM 0 H ASP A 8 2.368 -6.207 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 8 5.022 -7.469 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.403 -6.738 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.049 -5.148 -2.627 1.00 0.00 H new ATOM 78 N TYR A 9 6.326 -5.439 -0.214 1.00 0.00 N ATOM 79 CA TYR A 9 7.046 -4.397 0.509 1.00 0.00 C ATOM 80 C TYR A 9 7.394 -3.234 -0.414 1.00 0.00 C ATOM 81 O TYR A 9 7.981 -3.426 -1.479 1.00 0.00 O ATOM 82 CB TYR A 9 8.321 -4.968 1.132 1.00 0.00 C ATOM 83 CG TYR A 9 8.125 -5.501 2.533 1.00 0.00 C ATOM 84 CD1 TYR A 9 7.006 -6.257 2.859 1.00 0.00 C ATOM 85 CD2 TYR A 9 9.060 -5.251 3.530 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.822 -6.746 4.138 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.885 -5.737 4.811 1.00 0.00 C ATOM 88 CZ TYR A 9 7.764 -6.483 5.111 1.00 0.00 C ATOM 89 OH TYR A 9 7.586 -6.970 6.385 1.00 0.00 O ATOM 0 H TYR A 9 6.924 -6.141 -0.649 1.00 0.00 H new ATOM 0 HA TYR A 9 6.397 -4.025 1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.698 -5.770 0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.085 -4.191 1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.267 -6.466 2.100 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.939 -4.667 3.299 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.946 -7.331 4.375 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.622 -5.534 5.574 1.00 0.00 H new ATOM 0 HH TYR A 9 8.340 -6.696 6.948 1.00 0.00 H new ATOM 99 N CYS A 10 7.027 -2.027 0.003 1.00 0.00 N ATOM 100 CA CYS A 10 7.300 -0.830 -0.786 1.00 0.00 C ATOM 101 C CYS A 10 8.063 0.202 0.038 1.00 0.00 C ATOM 102 O CYS A 10 7.602 0.634 1.094 1.00 0.00 O ATOM 103 CB CYS A 10 5.993 -0.225 -1.300 1.00 0.00 C ATOM 104 SG CYS A 10 4.966 -1.376 -2.242 1.00 0.00 S ATOM 0 H CYS A 10 6.540 -1.851 0.882 1.00 0.00 H new ATOM 0 HA CYS A 10 7.918 -1.118 -1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.419 0.146 -0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.226 0.635 -1.928 1.00 0.00 H new ATOM 0 HG CYS A 10 3.883 -0.772 -2.631 1.00 0.00 H new ATOM 110 N LYS A 11 9.235 0.592 -0.451 1.00 0.00 N ATOM 111 CA LYS A 11 10.065 1.573 0.238 1.00 0.00 C ATOM 112 C LYS A 11 9.640 2.993 -0.120 1.00 0.00 C ATOM 113 O LYS A 11 9.504 3.333 -1.296 1.00 0.00 O ATOM 114 CB LYS A 11 11.539 1.365 -0.117 1.00 0.00 C ATOM 115 CG LYS A 11 12.474 2.342 0.574 1.00 0.00 C ATOM 116 CD LYS A 11 13.861 2.320 -0.047 1.00 0.00 C ATOM 117 CE LYS A 11 14.768 3.369 0.577 1.00 0.00 C ATOM 118 NZ LYS A 11 14.567 4.711 -0.037 1.00 0.00 N ATOM 0 H LYS A 11 9.632 0.243 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 11 9.933 1.433 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.828 0.348 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.661 1.459 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.062 3.349 0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.544 2.093 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.303 1.332 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.783 2.496 -1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.574 3.427 1.648 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.809 3.067 0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.073 5.428 0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.936 4.707 -1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.552 4.937 -0.053 1.00 0.00 H new ATOM 132 N VAL A 12 9.432 3.820 0.900 1.00 0.00 N ATOM 133 CA VAL A 12 9.025 5.204 0.692 1.00 0.00 C ATOM 134 C VAL A 12 10.231 6.097 0.421 1.00 0.00 C ATOM 135 O VAL A 12 11.081 6.289 1.291 1.00 0.00 O ATOM 136 CB VAL A 12 8.257 5.753 1.909 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.854 7.201 1.678 1.00 0.00 C ATOM 138 CG2 VAL A 12 7.038 4.892 2.201 1.00 0.00 C ATOM 0 H VAL A 12 9.539 3.555 1.879 1.00 0.00 H new ATOM 0 HA VAL A 12 8.367 5.213 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 12 8.915 5.719 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.313 7.571 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.747 7.807 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.213 7.265 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.507 5.294 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.376 4.893 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.356 3.871 2.414 1.00 0.00 H new ATOM 148 N ILE A 13 10.299 6.639 -0.790 1.00 0.00 N ATOM 149 CA ILE A 13 11.400 7.513 -1.174 1.00 0.00 C ATOM 150 C ILE A 13 11.007 8.981 -1.050 1.00 0.00 C ATOM 151 O ILE A 13 11.840 9.834 -0.744 1.00 0.00 O ATOM 152 CB ILE A 13 11.860 7.237 -2.618 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.664 7.266 -3.572 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.577 5.897 -2.699 1.00 0.00 C ATOM 155 CD1 ILE A 13 9.923 5.950 -3.651 1.00 0.00 C ATOM 0 H ILE A 13 9.605 6.488 -1.522 1.00 0.00 H new ATOM 0 HA ILE A 13 12.223 7.301 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 13 12.558 8.019 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.972 8.045 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.011 7.539 -4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.896 5.716 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.449 5.911 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.900 5.103 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.088 6.044 -4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.601 5.171 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.546 5.685 -2.663 1.00 0.00 H new ATOM 167 N PHE A 14 9.731 9.268 -1.287 1.00 0.00 N ATOM 168 CA PHE A 14 9.226 10.633 -1.201 1.00 0.00 C ATOM 169 C PHE A 14 8.268 10.785 -0.023 1.00 0.00 C ATOM 170 O PHE A 14 7.309 10.029 0.132 1.00 0.00 O ATOM 171 CB PHE A 14 8.518 11.021 -2.501 1.00 0.00 C ATOM 172 CG PHE A 14 9.431 11.645 -3.517 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.428 10.898 -4.124 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.292 12.979 -3.866 1.00 0.00 C ATOM 175 CE1 PHE A 14 11.270 11.471 -5.059 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.130 13.557 -4.801 1.00 0.00 C ATOM 177 CZ PHE A 14 11.120 12.801 -5.399 1.00 0.00 C ATOM 0 H PHE A 14 9.028 8.573 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 14 10.075 11.298 -1.045 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.058 10.133 -2.934 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.712 11.718 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.549 9.857 -3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.520 13.574 -3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.045 10.879 -5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.011 14.598 -5.064 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.775 13.249 -6.131 1.00 0.00 H new ATOM 187 N PRO A 15 8.534 11.786 0.830 1.00 0.00 N ATOM 188 CA PRO A 15 7.709 12.061 2.009 1.00 0.00 C ATOM 189 C PRO A 15 6.335 12.611 1.640 1.00 0.00 C ATOM 190 O PRO A 15 6.222 13.539 0.839 1.00 0.00 O ATOM 191 CB PRO A 15 8.518 13.114 2.771 1.00 0.00 C ATOM 192 CG PRO A 15 9.345 13.784 1.728 1.00 0.00 C ATOM 193 CD PRO A 15 9.661 12.725 0.708 1.00 0.00 C ATOM 0 HA PRO A 15 7.509 11.158 2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.865 13.826 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.143 12.655 3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.804 14.614 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.258 14.196 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.729 13.142 -0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.614 12.238 0.916 1.00 0.00 H new ATOM 201 N TYR A 16 5.294 12.033 2.229 1.00 0.00 N ATOM 202 CA TYR A 16 3.927 12.464 1.960 1.00 0.00 C ATOM 203 C TYR A 16 3.186 12.768 3.259 1.00 0.00 C ATOM 204 O TYR A 16 3.533 12.248 4.319 1.00 0.00 O ATOM 205 CB TYR A 16 3.177 11.389 1.172 1.00 0.00 C ATOM 206 CG TYR A 16 1.757 11.773 0.824 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.494 12.823 -0.048 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.678 11.088 1.368 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.198 13.178 -0.368 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.621 11.435 1.052 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.856 12.481 0.184 1.00 0.00 C ATOM 212 OH TYR A 16 -2.149 12.831 -0.131 1.00 0.00 O ATOM 0 H TYR A 16 5.371 11.265 2.896 1.00 0.00 H new ATOM 0 HA TYR A 16 3.971 13.377 1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.723 11.177 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.163 10.467 1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.317 13.371 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.858 10.270 2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.011 13.997 -1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.448 10.890 1.482 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.175 13.205 -1.037 1.00 0.00 H new ATOM 222 N GLU A 17 2.165 13.613 3.165 1.00 0.00 N ATOM 223 CA GLU A 17 1.374 13.987 4.332 1.00 0.00 C ATOM 224 C GLU A 17 -0.106 13.695 4.103 1.00 0.00 C ATOM 225 O GLU A 17 -0.749 14.319 3.259 1.00 0.00 O ATOM 226 CB GLU A 17 1.570 15.470 4.654 1.00 0.00 C ATOM 227 CG GLU A 17 2.906 15.781 5.306 1.00 0.00 C ATOM 228 CD GLU A 17 2.886 17.079 6.088 1.00 0.00 C ATOM 229 OE1 GLU A 17 2.175 17.143 7.113 1.00 0.00 O ATOM 230 OE2 GLU A 17 3.581 18.032 5.676 1.00 0.00 O ATOM 0 H GLU A 17 1.866 14.051 2.294 1.00 0.00 H new ATOM 0 HA GLU A 17 1.717 13.391 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.482 16.047 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.768 15.798 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.179 14.964 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.677 15.836 4.537 1.00 0.00 H new ATOM 237 N ALA A 18 -0.639 12.743 4.861 1.00 0.00 N ATOM 238 CA ALA A 18 -2.043 12.369 4.742 1.00 0.00 C ATOM 239 C ALA A 18 -2.950 13.585 4.898 1.00 0.00 C ATOM 240 O ALA A 18 -3.127 14.100 6.002 1.00 0.00 O ATOM 241 CB ALA A 18 -2.396 11.309 5.775 1.00 0.00 C ATOM 0 H ALA A 18 -0.120 12.217 5.564 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.200 11.956 3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.447 11.039 5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.778 10.426 5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.216 11.702 6.776 1.00 0.00 H new ATOM 247 N GLN A 19 -3.521 14.038 3.787 1.00 0.00 N ATOM 248 CA GLN A 19 -4.409 15.195 3.802 1.00 0.00 C ATOM 249 C GLN A 19 -5.695 14.884 4.560 1.00 0.00 C ATOM 250 O GLN A 19 -6.202 15.717 5.310 1.00 0.00 O ATOM 251 CB GLN A 19 -4.737 15.630 2.373 1.00 0.00 C ATOM 252 CG GLN A 19 -5.697 16.808 2.301 1.00 0.00 C ATOM 253 CD GLN A 19 -6.213 17.055 0.897 1.00 0.00 C ATOM 254 OE1 GLN A 19 -6.072 18.152 0.356 1.00 0.00 O ATOM 255 NE2 GLN A 19 -6.815 16.033 0.299 1.00 0.00 N ATOM 0 H GLN A 19 -3.385 13.622 2.866 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.896 16.009 4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.812 15.894 1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.169 14.786 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.540 16.626 2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.193 17.705 2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.910 15.141 0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.183 16.140 -0.646 1.00 0.00 H new ATOM 264 N ASN A 20 -6.219 13.679 4.358 1.00 0.00 N ATOM 265 CA ASN A 20 -7.448 13.259 5.022 1.00 0.00 C ATOM 266 C ASN A 20 -7.202 12.032 5.895 1.00 0.00 C ATOM 267 O ASN A 20 -6.100 11.484 5.917 1.00 0.00 O ATOM 268 CB ASN A 20 -8.533 12.953 3.987 1.00 0.00 C ATOM 269 CG ASN A 20 -8.475 13.890 2.796 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.320 13.453 1.655 1.00 0.00 O ATOM 271 ND2 ASN A 20 -8.601 15.186 3.056 1.00 0.00 N ATOM 0 H ASN A 20 -5.812 12.977 3.740 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.784 14.076 5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.423 11.925 3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.513 13.029 4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.571 15.864 2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.728 15.503 4.017 1.00 0.00 H new ATOM 278 N ASP A 21 -8.236 11.607 6.612 1.00 0.00 N ATOM 279 CA ASP A 21 -8.133 10.444 7.486 1.00 0.00 C ATOM 280 C ASP A 21 -7.724 9.205 6.696 1.00 0.00 C ATOM 281 O ASP A 21 -6.738 8.545 7.024 1.00 0.00 O ATOM 282 CB ASP A 21 -9.465 10.195 8.197 1.00 0.00 C ATOM 283 CG ASP A 21 -9.407 9.003 9.133 1.00 0.00 C ATOM 284 OD1 ASP A 21 -8.786 7.986 8.761 1.00 0.00 O ATOM 285 OD2 ASP A 21 -9.984 9.088 10.237 1.00 0.00 O ATOM 0 H ASP A 21 -9.155 12.050 6.605 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.364 10.647 8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.744 11.084 8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.246 10.032 7.454 1.00 0.00 H new ATOM 290 N ASP A 22 -8.489 8.894 5.655 1.00 0.00 N ATOM 291 CA ASP A 22 -8.206 7.734 4.818 1.00 0.00 C ATOM 292 C ASP A 22 -6.732 7.690 4.430 1.00 0.00 C ATOM 293 O ASP A 22 -6.091 6.643 4.509 1.00 0.00 O ATOM 294 CB ASP A 22 -9.076 7.762 3.560 1.00 0.00 C ATOM 295 CG ASP A 22 -10.522 8.103 3.864 1.00 0.00 C ATOM 296 OD1 ASP A 22 -11.076 7.533 4.827 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.100 8.939 3.138 1.00 0.00 O ATOM 0 H ASP A 22 -9.310 9.429 5.371 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.439 6.837 5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.673 8.493 2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.030 6.790 3.068 1.00 0.00 H new ATOM 302 N GLU A 23 -6.200 8.835 4.011 1.00 0.00 N ATOM 303 CA GLU A 23 -4.802 8.925 3.610 1.00 0.00 C ATOM 304 C GLU A 23 -3.880 8.497 4.748 1.00 0.00 C ATOM 305 O GLU A 23 -4.202 8.676 5.924 1.00 0.00 O ATOM 306 CB GLU A 23 -4.464 10.353 3.175 1.00 0.00 C ATOM 307 CG GLU A 23 -5.046 10.732 1.824 1.00 0.00 C ATOM 308 CD GLU A 23 -4.109 10.415 0.675 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.168 9.619 0.878 1.00 0.00 O ATOM 310 OE2 GLU A 23 -4.316 10.964 -0.427 1.00 0.00 O ATOM 0 H GLU A 23 -6.717 9.712 3.941 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.648 8.250 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.832 11.050 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.380 10.466 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.987 10.203 1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.275 11.798 1.817 1.00 0.00 H new ATOM 317 N LEU A 24 -2.733 7.929 4.391 1.00 0.00 N ATOM 318 CA LEU A 24 -1.764 7.474 5.382 1.00 0.00 C ATOM 319 C LEU A 24 -0.515 8.349 5.364 1.00 0.00 C ATOM 320 O LEU A 24 -0.085 8.816 4.308 1.00 0.00 O ATOM 321 CB LEU A 24 -1.383 6.016 5.119 1.00 0.00 C ATOM 322 CG LEU A 24 -0.193 5.479 5.916 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.655 4.915 7.250 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.550 4.420 5.115 1.00 0.00 C ATOM 0 H LEU A 24 -2.452 7.773 3.423 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.225 7.551 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.250 5.391 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.164 5.905 4.057 1.00 0.00 H new ATOM 0 HG LEU A 24 0.491 6.304 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.205 4.538 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.142 5.700 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.360 4.102 7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.394 4.049 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.125 3.595 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.915 4.856 4.185 1.00 0.00 H new ATOM 336 N THR A 25 0.066 8.567 6.540 1.00 0.00 N ATOM 337 CA THR A 25 1.267 9.385 6.659 1.00 0.00 C ATOM 338 C THR A 25 2.526 8.537 6.518 1.00 0.00 C ATOM 339 O THR A 25 2.741 7.597 7.284 1.00 0.00 O ATOM 340 CB THR A 25 1.309 10.127 8.008 1.00 0.00 C ATOM 341 OG1 THR A 25 0.088 10.846 8.210 1.00 0.00 O ATOM 342 CG2 THR A 25 2.485 11.090 8.059 1.00 0.00 C ATOM 0 H THR A 25 -0.276 8.188 7.423 1.00 0.00 H new ATOM 0 HA THR A 25 1.233 10.116 5.851 1.00 0.00 H new ATOM 0 HB THR A 25 1.430 9.388 8.800 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.122 11.314 9.071 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.494 11.603 9.021 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.415 10.535 7.935 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.390 11.823 7.258 1.00 0.00 H new ATOM 350 N ILE A 26 3.355 8.876 5.537 1.00 0.00 N ATOM 351 CA ILE A 26 4.594 8.146 5.298 1.00 0.00 C ATOM 352 C ILE A 26 5.781 9.098 5.194 1.00 0.00 C ATOM 353 O ILE A 26 5.632 10.253 4.795 1.00 0.00 O ATOM 354 CB ILE A 26 4.512 7.303 4.011 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.277 8.206 2.799 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.406 6.265 4.128 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.320 7.468 1.479 1.00 0.00 C ATOM 0 H ILE A 26 3.191 9.651 4.895 1.00 0.00 H new ATOM 0 HA ILE A 26 4.738 7.481 6.149 1.00 0.00 H new ATOM 0 HB ILE A 26 5.459 6.782 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.308 8.694 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.031 8.993 2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.360 5.677 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.613 5.606 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.451 6.767 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.145 8.170 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.298 7.003 1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.548 6.699 1.467 1.00 0.00 H new ATOM 369 N LYS A 27 6.961 8.604 5.554 1.00 0.00 N ATOM 370 CA LYS A 27 8.176 9.408 5.499 1.00 0.00 C ATOM 371 C LYS A 27 9.292 8.660 4.776 1.00 0.00 C ATOM 372 O LYS A 27 9.307 7.429 4.746 1.00 0.00 O ATOM 373 CB LYS A 27 8.630 9.781 6.912 1.00 0.00 C ATOM 374 CG LYS A 27 7.637 10.653 7.660 1.00 0.00 C ATOM 375 CD LYS A 27 7.949 10.706 9.146 1.00 0.00 C ATOM 376 CE LYS A 27 6.755 11.198 9.949 1.00 0.00 C ATOM 377 NZ LYS A 27 6.674 12.685 9.967 1.00 0.00 N ATOM 0 H LYS A 27 7.101 7.650 5.887 1.00 0.00 H new ATOM 0 HA LYS A 27 7.954 10.319 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.801 8.868 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.585 10.302 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.655 11.662 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.629 10.266 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.239 9.714 9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.800 11.365 9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.838 10.789 9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.826 10.826 10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.847 12.981 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.538 13.075 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.580 13.039 8.994 1.00 0.00 H new ATOM 391 N GLU A 28 10.223 9.410 4.197 1.00 0.00 N ATOM 392 CA GLU A 28 11.342 8.816 3.475 1.00 0.00 C ATOM 393 C GLU A 28 12.168 7.919 4.394 1.00 0.00 C ATOM 394 O GLU A 28 12.855 8.399 5.294 1.00 0.00 O ATOM 395 CB GLU A 28 12.231 9.909 2.878 1.00 0.00 C ATOM 396 CG GLU A 28 13.388 9.370 2.054 1.00 0.00 C ATOM 397 CD GLU A 28 14.287 10.469 1.521 1.00 0.00 C ATOM 398 OE1 GLU A 28 13.753 11.470 0.999 1.00 0.00 O ATOM 399 OE2 GLU A 28 15.523 10.328 1.625 1.00 0.00 O ATOM 0 H GLU A 28 10.225 10.430 4.213 1.00 0.00 H new ATOM 0 HA GLU A 28 10.937 8.206 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.621 10.559 2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.627 10.525 3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.978 8.688 2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.995 8.790 1.219 1.00 0.00 H new ATOM 406 N GLY A 29 12.093 6.613 4.159 1.00 0.00 N ATOM 407 CA GLY A 29 12.837 5.669 4.974 1.00 0.00 C ATOM 408 C GLY A 29 11.931 4.755 5.775 1.00 0.00 C ATOM 409 O GLY A 29 12.194 4.480 6.945 1.00 0.00 O ATOM 0 H GLY A 29 11.531 6.191 3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.480 5.067 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.489 6.216 5.654 1.00 0.00 H new ATOM 413 N ASP A 30 10.861 4.284 5.144 1.00 0.00 N ATOM 414 CA ASP A 30 9.912 3.396 5.805 1.00 0.00 C ATOM 415 C ASP A 30 9.202 2.506 4.790 1.00 0.00 C ATOM 416 O ASP A 30 8.581 2.997 3.847 1.00 0.00 O ATOM 417 CB ASP A 30 8.886 4.209 6.596 1.00 0.00 C ATOM 418 CG ASP A 30 9.507 4.944 7.767 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.278 5.897 7.527 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.223 4.567 8.923 1.00 0.00 O ATOM 0 H ASP A 30 10.629 4.503 4.175 1.00 0.00 H new ATOM 0 HA ASP A 30 10.467 2.759 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.407 4.929 5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.104 3.544 6.962 1.00 0.00 H new ATOM 425 N ILE A 31 9.300 1.196 4.989 1.00 0.00 N ATOM 426 CA ILE A 31 8.667 0.238 4.091 1.00 0.00 C ATOM 427 C ILE A 31 7.217 -0.014 4.489 1.00 0.00 C ATOM 428 O ILE A 31 6.929 -0.385 5.627 1.00 0.00 O ATOM 429 CB ILE A 31 9.423 -1.104 4.075 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.840 -0.909 3.531 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.666 -2.129 3.244 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.801 -0.326 4.543 1.00 0.00 C ATOM 0 H ILE A 31 9.812 0.774 5.764 1.00 0.00 H new ATOM 0 HA ILE A 31 8.697 0.675 3.093 1.00 0.00 H new ATOM 0 HB ILE A 31 9.495 -1.476 5.097 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.224 -1.870 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.799 -0.254 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.213 -3.072 3.242 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.676 -2.285 3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.566 -1.766 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.785 -0.216 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.440 0.650 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.871 -0.992 5.403 1.00 0.00 H new ATOM 444 N VAL A 32 6.305 0.190 3.543 1.00 0.00 N ATOM 445 CA VAL A 32 4.884 -0.017 3.794 1.00 0.00 C ATOM 446 C VAL A 32 4.386 -1.287 3.114 1.00 0.00 C ATOM 447 O VAL A 32 4.551 -1.465 1.906 1.00 0.00 O ATOM 448 CB VAL A 32 4.047 1.178 3.301 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.561 0.860 3.384 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.379 2.427 4.103 1.00 0.00 C ATOM 0 H VAL A 32 6.525 0.498 2.596 1.00 0.00 H new ATOM 0 HA VAL A 32 4.764 -0.114 4.873 1.00 0.00 H new ATOM 0 HB VAL A 32 4.295 1.368 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.986 1.716 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.339 -0.007 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.293 0.643 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.779 3.262 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.160 2.252 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.437 2.664 3.987 1.00 0.00 H new ATOM 460 N THR A 33 3.773 -2.170 3.897 1.00 0.00 N ATOM 461 CA THR A 33 3.250 -3.425 3.371 1.00 0.00 C ATOM 462 C THR A 33 1.954 -3.201 2.601 1.00 0.00 C ATOM 463 O THR A 33 0.941 -2.796 3.174 1.00 0.00 O ATOM 464 CB THR A 33 2.995 -4.444 4.498 1.00 0.00 C ATOM 465 OG1 THR A 33 4.166 -4.578 5.311 1.00 0.00 O ATOM 466 CG2 THR A 33 2.612 -5.800 3.925 1.00 0.00 C ATOM 0 H THR A 33 3.627 -2.039 4.898 1.00 0.00 H new ATOM 0 HA THR A 33 4.006 -3.824 2.695 1.00 0.00 H new ATOM 0 HB THR A 33 2.169 -4.079 5.108 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.797 -5.190 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.437 -6.503 4.740 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.704 -5.700 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.420 -6.170 3.294 1.00 0.00 H new ATOM 474 N LEU A 34 1.991 -3.467 1.300 1.00 0.00 N ATOM 475 CA LEU A 34 0.817 -3.296 0.450 1.00 0.00 C ATOM 476 C LEU A 34 -0.331 -4.181 0.923 1.00 0.00 C ATOM 477 O LEU A 34 -0.253 -5.408 0.850 1.00 0.00 O ATOM 478 CB LEU A 34 1.163 -3.622 -1.003 1.00 0.00 C ATOM 479 CG LEU A 34 0.370 -2.864 -2.069 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.707 -1.382 -2.031 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.647 -3.441 -3.450 1.00 0.00 C ATOM 0 H LEU A 34 2.821 -3.802 0.810 1.00 0.00 H new ATOM 0 HA LEU A 34 0.500 -2.255 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.223 -3.421 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.015 -4.690 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.693 -2.979 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.134 -0.859 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.457 -0.977 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.772 -1.246 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.075 -2.890 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.711 -3.356 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.354 -4.491 -3.471 1.00 0.00 H new ATOM 493 N ILE A 35 -1.398 -3.551 1.405 1.00 0.00 N ATOM 494 CA ILE A 35 -2.563 -4.282 1.885 1.00 0.00 C ATOM 495 C ILE A 35 -3.465 -4.701 0.729 1.00 0.00 C ATOM 496 O ILE A 35 -3.710 -5.888 0.519 1.00 0.00 O ATOM 497 CB ILE A 35 -3.383 -3.441 2.882 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.538 -3.100 4.111 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.645 -4.186 3.291 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.173 -4.306 4.947 1.00 0.00 C ATOM 0 H ILE A 35 -1.479 -2.536 1.473 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.190 -5.172 2.392 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.675 -2.510 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.624 -2.603 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.084 -2.390 4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.214 -3.579 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.253 -4.383 2.408 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.373 -5.130 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.574 -3.989 5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.082 -4.792 5.302 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.599 -5.008 4.342 1.00 0.00 H new ATOM 512 N ASN A 36 -3.954 -3.718 -0.019 1.00 0.00 N ATOM 513 CA ASN A 36 -4.828 -3.985 -1.156 1.00 0.00 C ATOM 514 C ASN A 36 -4.463 -3.098 -2.342 1.00 0.00 C ATOM 515 O ASN A 36 -4.224 -1.900 -2.186 1.00 0.00 O ATOM 516 CB ASN A 36 -6.290 -3.759 -0.766 1.00 0.00 C ATOM 517 CG ASN A 36 -7.246 -4.584 -1.605 1.00 0.00 C ATOM 518 OD1 ASN A 36 -6.986 -4.854 -2.778 1.00 0.00 O ATOM 519 ND2 ASN A 36 -8.361 -4.988 -1.007 1.00 0.00 N ATOM 0 H ASN A 36 -3.760 -2.729 0.141 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.694 -5.026 -1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.425 -4.009 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.533 -2.702 -0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.043 -5.545 -1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.536 -4.741 -0.033 1.00 0.00 H new ATOM 526 N LYS A 37 -4.422 -3.694 -3.529 1.00 0.00 N ATOM 527 CA LYS A 37 -4.089 -2.959 -4.744 1.00 0.00 C ATOM 528 C LYS A 37 -5.180 -1.949 -5.086 1.00 0.00 C ATOM 529 O LYS A 37 -6.288 -2.013 -4.552 1.00 0.00 O ATOM 530 CB LYS A 37 -3.892 -3.928 -5.912 1.00 0.00 C ATOM 531 CG LYS A 37 -2.526 -4.592 -5.927 1.00 0.00 C ATOM 532 CD LYS A 37 -1.518 -3.777 -6.721 1.00 0.00 C ATOM 533 CE LYS A 37 -0.147 -4.436 -6.725 1.00 0.00 C ATOM 534 NZ LYS A 37 0.719 -3.910 -7.816 1.00 0.00 N ATOM 0 H LYS A 37 -4.615 -4.685 -3.676 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.160 -2.417 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.661 -4.699 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.035 -3.389 -6.849 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.170 -4.717 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.610 -5.589 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.870 -3.660 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.441 -2.777 -6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.339 -4.269 -5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.263 -5.514 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.671 -4.321 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.310 -4.166 -8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.782 -2.875 -7.741 1.00 0.00 H new ATOM 548 N ASP A 38 -4.860 -1.019 -5.979 1.00 0.00 N ATOM 549 CA ASP A 38 -5.814 0.003 -6.394 1.00 0.00 C ATOM 550 C ASP A 38 -6.459 -0.365 -7.726 1.00 0.00 C ATOM 551 O ASP A 38 -5.942 -1.202 -8.468 1.00 0.00 O ATOM 552 CB ASP A 38 -5.121 1.362 -6.506 1.00 0.00 C ATOM 553 CG ASP A 38 -6.073 2.464 -6.928 1.00 0.00 C ATOM 554 OD1 ASP A 38 -6.819 2.967 -6.062 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.072 2.823 -8.124 1.00 0.00 O ATOM 0 H ASP A 38 -3.947 -0.952 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.596 0.064 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.675 1.619 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.307 1.293 -7.227 1.00 0.00 H new ATOM 560 N CYS A 39 -7.591 0.263 -8.023 1.00 0.00 N ATOM 561 CA CYS A 39 -8.309 0.000 -9.265 1.00 0.00 C ATOM 562 C CYS A 39 -7.379 0.130 -10.467 1.00 0.00 C ATOM 563 O CYS A 39 -6.298 0.711 -10.369 1.00 0.00 O ATOM 564 CB CYS A 39 -9.488 0.963 -9.410 1.00 0.00 C ATOM 565 SG CYS A 39 -10.862 0.623 -8.285 1.00 0.00 S ATOM 0 H CYS A 39 -8.032 0.958 -7.421 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.687 -1.022 -9.229 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.136 1.980 -9.239 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.854 0.921 -10.436 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.809 1.491 -8.482 1.00 0.00 H new ATOM 571 N ILE A 40 -7.807 -0.416 -11.601 1.00 0.00 N ATOM 572 CA ILE A 40 -7.013 -0.361 -12.822 1.00 0.00 C ATOM 573 C ILE A 40 -6.207 0.931 -12.896 1.00 0.00 C ATOM 574 O ILE A 40 -5.121 0.965 -13.474 1.00 0.00 O ATOM 575 CB ILE A 40 -7.900 -0.472 -14.076 1.00 0.00 C ATOM 576 CG1 ILE A 40 -8.699 -1.777 -14.048 1.00 0.00 C ATOM 577 CG2 ILE A 40 -7.050 -0.392 -15.335 1.00 0.00 C ATOM 578 CD1 ILE A 40 -7.833 -3.017 -14.097 1.00 0.00 C ATOM 0 H ILE A 40 -8.699 -0.901 -11.699 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.331 -1.211 -12.793 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.602 0.362 -14.082 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.306 -1.803 -13.143 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.387 -1.791 -14.893 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.691 -0.472 -16.213 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.522 0.561 -15.357 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.327 -1.208 -15.338 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.466 -3.904 -14.074 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.245 -3.014 -15.015 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.163 -3.027 -13.237 1.00 0.00 H new ATOM 590 N ASP A 41 -6.746 1.992 -12.306 1.00 0.00 N ATOM 591 CA ASP A 41 -6.075 3.288 -12.302 1.00 0.00 C ATOM 592 C ASP A 41 -4.828 3.252 -11.425 1.00 0.00 C ATOM 593 O ASP A 41 -4.896 2.904 -10.246 1.00 0.00 O ATOM 594 CB ASP A 41 -7.029 4.378 -11.810 1.00 0.00 C ATOM 595 CG ASP A 41 -8.255 4.516 -12.692 1.00 0.00 C ATOM 596 OD1 ASP A 41 -8.157 4.203 -13.897 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.312 4.937 -12.177 1.00 0.00 O ATOM 0 H ASP A 41 -7.645 1.981 -11.824 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.771 3.516 -13.324 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.342 4.150 -10.791 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.501 5.331 -11.776 1.00 0.00 H new ATOM 602 N VAL A 42 -3.689 3.612 -12.008 1.00 0.00 N ATOM 603 CA VAL A 42 -2.427 3.621 -11.280 1.00 0.00 C ATOM 604 C VAL A 42 -2.193 4.966 -10.601 1.00 0.00 C ATOM 605 O VAL A 42 -2.642 6.004 -11.086 1.00 0.00 O ATOM 606 CB VAL A 42 -1.239 3.315 -12.211 1.00 0.00 C ATOM 607 CG1 VAL A 42 0.062 3.277 -11.424 1.00 0.00 C ATOM 608 CG2 VAL A 42 -1.464 2.003 -12.948 1.00 0.00 C ATOM 0 H VAL A 42 -3.615 3.901 -12.983 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.495 2.841 -10.521 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.165 4.113 -12.950 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.890 3.059 -12.099 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.227 4.243 -10.947 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.003 2.501 -10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.615 1.802 -13.601 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.566 1.193 -12.226 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.373 2.073 -13.545 1.00 0.00 H new ATOM 618 N GLY A 43 -1.485 4.941 -9.476 1.00 0.00 N ATOM 619 CA GLY A 43 -1.203 6.165 -8.749 1.00 0.00 C ATOM 620 C GLY A 43 -1.717 6.124 -7.324 1.00 0.00 C ATOM 621 O GLY A 43 -1.364 6.973 -6.505 1.00 0.00 O ATOM 0 H GLY A 43 -1.102 4.095 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.127 6.338 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.657 7.007 -9.272 1.00 0.00 H new ATOM 625 N TRP A 44 -2.555 5.137 -7.027 1.00 0.00 N ATOM 626 CA TRP A 44 -3.120 4.990 -5.690 1.00 0.00 C ATOM 627 C TRP A 44 -2.865 3.591 -5.141 1.00 0.00 C ATOM 628 O TRP A 44 -2.797 2.621 -5.897 1.00 0.00 O ATOM 629 CB TRP A 44 -4.623 5.275 -5.716 1.00 0.00 C ATOM 630 CG TRP A 44 -4.962 6.626 -6.270 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.353 6.913 -7.546 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.938 7.872 -5.565 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.574 8.263 -7.677 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.327 8.873 -6.476 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.628 8.239 -4.253 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.412 10.215 -6.115 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.713 9.571 -3.896 1.00 0.00 C ATOM 638 CH2 TRP A 44 -5.103 10.546 -4.824 1.00 0.00 C ATOM 0 H TRP A 44 -2.858 4.427 -7.693 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.631 5.711 -5.035 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.120 4.510 -6.313 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.018 5.196 -4.703 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.471 6.186 -8.336 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.874 8.734 -8.531 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.327 7.495 -3.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.711 10.968 -6.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.475 9.866 -2.885 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.161 11.579 -4.514 1.00 0.00 H new ATOM 649 N TRP A 45 -2.723 3.494 -3.825 1.00 0.00 N ATOM 650 CA TRP A 45 -2.475 2.211 -3.175 1.00 0.00 C ATOM 651 C TRP A 45 -2.711 2.308 -1.672 1.00 0.00 C ATOM 652 O TRP A 45 -2.566 3.376 -1.080 1.00 0.00 O ATOM 653 CB TRP A 45 -1.045 1.745 -3.451 1.00 0.00 C ATOM 654 CG TRP A 45 -0.899 1.010 -4.748 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.886 0.369 -5.443 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.304 0.837 -5.506 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.368 -0.191 -6.586 1.00 0.00 N ATOM 658 CE2 TRP A 45 -0.028 0.082 -6.648 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.628 1.248 -5.331 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.918 -0.269 -7.608 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.565 0.899 -6.284 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.207 0.147 -7.411 1.00 0.00 C ATOM 0 H TRP A 45 -2.775 4.287 -3.186 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.173 1.482 -3.587 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.383 2.611 -3.456 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.718 1.099 -2.637 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.921 0.311 -5.139 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.897 -0.724 -7.277 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.914 1.828 -4.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.644 -0.849 -8.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.591 1.211 -6.158 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.963 -0.109 -8.138 1.00 0.00 H new ATOM 673 N GLU A 46 -3.075 1.184 -1.061 1.00 0.00 N ATOM 674 CA GLU A 46 -3.331 1.144 0.374 1.00 0.00 C ATOM 675 C GLU A 46 -2.359 0.199 1.074 1.00 0.00 C ATOM 676 O GLU A 46 -2.208 -0.957 0.680 1.00 0.00 O ATOM 677 CB GLU A 46 -4.771 0.705 0.645 1.00 0.00 C ATOM 678 CG GLU A 46 -5.358 1.295 1.917 1.00 0.00 C ATOM 679 CD GLU A 46 -6.874 1.283 1.920 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.471 1.424 0.832 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.464 1.133 3.011 1.00 0.00 O ATOM 0 H GLU A 46 -3.199 0.290 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.184 2.148 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.395 0.993 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.804 -0.383 0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.992 0.733 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.006 2.320 2.034 1.00 0.00 H new ATOM 688 N GLY A 47 -1.702 0.700 2.115 1.00 0.00 N ATOM 689 CA GLY A 47 -0.752 -0.112 2.854 1.00 0.00 C ATOM 690 C GLY A 47 -0.908 0.034 4.354 1.00 0.00 C ATOM 691 O GLY A 47 -1.676 0.872 4.826 1.00 0.00 O ATOM 0 H GLY A 47 -1.810 1.654 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.882 -1.159 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.261 0.170 2.568 1.00 0.00 H new ATOM 695 N GLU A 48 -0.178 -0.784 5.106 1.00 0.00 N ATOM 696 CA GLU A 48 -0.242 -0.743 6.562 1.00 0.00 C ATOM 697 C GLU A 48 1.074 -0.240 7.150 1.00 0.00 C ATOM 698 O GLU A 48 2.137 -0.807 6.897 1.00 0.00 O ATOM 699 CB GLU A 48 -0.564 -2.131 7.120 1.00 0.00 C ATOM 700 CG GLU A 48 -1.320 -2.096 8.438 1.00 0.00 C ATOM 701 CD GLU A 48 -0.396 -2.084 9.640 1.00 0.00 C ATOM 702 OE1 GLU A 48 0.356 -1.100 9.801 1.00 0.00 O ATOM 703 OE2 GLU A 48 -0.426 -3.058 10.421 1.00 0.00 O ATOM 0 H GLU A 48 0.464 -1.482 4.731 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.036 -0.052 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.154 -2.680 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.366 -2.683 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.956 -1.211 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.978 -2.963 8.499 1.00 0.00 H new ATOM 710 N LEU A 49 0.993 0.828 7.936 1.00 0.00 N ATOM 711 CA LEU A 49 2.177 1.410 8.560 1.00 0.00 C ATOM 712 C LEU A 49 1.864 1.896 9.971 1.00 0.00 C ATOM 713 O LEU A 49 0.922 2.659 10.181 1.00 0.00 O ATOM 714 CB LEU A 49 2.706 2.569 7.714 1.00 0.00 C ATOM 715 CG LEU A 49 4.118 3.053 8.048 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.156 2.224 7.308 1.00 0.00 C ATOM 717 CD2 LEU A 49 4.270 4.528 7.708 1.00 0.00 C ATOM 0 H LEU A 49 0.121 1.309 8.156 1.00 0.00 H new ATOM 0 HA LEU A 49 2.942 0.636 8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.685 2.268 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.021 3.410 7.817 1.00 0.00 H new ATOM 0 HG LEU A 49 4.280 2.929 9.119 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.154 2.583 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.063 1.178 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.996 2.316 6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.281 4.855 7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.087 4.677 6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.551 5.110 8.284 1.00 0.00 H new ATOM 729 N ASN A 50 2.663 1.451 10.936 1.00 0.00 N ATOM 730 CA ASN A 50 2.472 1.842 12.328 1.00 0.00 C ATOM 731 C ASN A 50 1.050 1.539 12.788 1.00 0.00 C ATOM 732 O ASN A 50 0.429 2.338 13.488 1.00 0.00 O ATOM 733 CB ASN A 50 2.771 3.332 12.506 1.00 0.00 C ATOM 734 CG ASN A 50 4.226 3.594 12.841 1.00 0.00 C ATOM 735 OD1 ASN A 50 4.579 3.808 14.001 1.00 0.00 O ATOM 736 ND2 ASN A 50 5.080 3.578 11.824 1.00 0.00 N ATOM 0 H ASN A 50 3.449 0.820 10.779 1.00 0.00 H new ATOM 0 HA ASN A 50 3.164 1.263 12.940 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.510 3.864 11.591 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.140 3.734 13.299 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.072 3.747 11.989 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.744 3.396 10.878 1.00 0.00 H new ATOM 743 N GLY A 51 0.540 0.377 12.391 1.00 0.00 N ATOM 744 CA GLY A 51 -0.805 -0.012 12.773 1.00 0.00 C ATOM 745 C GLY A 51 -1.857 0.942 12.243 1.00 0.00 C ATOM 746 O GLY A 51 -2.755 1.356 12.977 1.00 0.00 O ATOM 0 H GLY A 51 1.034 -0.302 11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.009 -1.016 12.401 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.873 -0.055 13.860 1.00 0.00 H new ATOM 750 N ARG A 52 -1.746 1.294 10.967 1.00 0.00 N ATOM 751 CA ARG A 52 -2.693 2.208 10.341 1.00 0.00 C ATOM 752 C ARG A 52 -2.992 1.783 8.906 1.00 0.00 C ATOM 753 O ARG A 52 -2.090 1.401 8.161 1.00 0.00 O ATOM 754 CB ARG A 52 -2.144 3.636 10.357 1.00 0.00 C ATOM 755 CG ARG A 52 -2.175 4.286 11.731 1.00 0.00 C ATOM 756 CD ARG A 52 -2.342 5.794 11.630 1.00 0.00 C ATOM 757 NE ARG A 52 -2.481 6.418 12.943 1.00 0.00 N ATOM 758 CZ ARG A 52 -3.098 7.577 13.144 1.00 0.00 C ATOM 759 NH1 ARG A 52 -3.630 8.235 12.123 1.00 0.00 N ATOM 760 NH2 ARG A 52 -3.184 8.080 14.369 1.00 0.00 N ATOM 0 H ARG A 52 -1.009 0.960 10.346 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.621 2.176 10.912 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.117 3.625 9.993 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.722 4.246 9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.994 3.866 12.315 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.253 4.056 12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.481 6.220 11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.220 6.022 11.025 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.083 5.938 13.750 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.566 7.851 11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.103 9.125 12.281 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.776 7.577 15.157 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.658 8.970 14.523 1.00 0.00 H new ATOM 774 N ARG A 53 -4.264 1.852 8.527 1.00 0.00 N ATOM 775 CA ARG A 53 -4.682 1.473 7.183 1.00 0.00 C ATOM 776 C ARG A 53 -5.221 2.680 6.420 1.00 0.00 C ATOM 777 O ARG A 53 -6.281 3.211 6.748 1.00 0.00 O ATOM 778 CB ARG A 53 -5.749 0.378 7.247 1.00 0.00 C ATOM 779 CG ARG A 53 -5.194 -0.993 7.595 1.00 0.00 C ATOM 780 CD ARG A 53 -6.287 -2.051 7.600 1.00 0.00 C ATOM 781 NE ARG A 53 -6.720 -2.397 6.249 1.00 0.00 N ATOM 782 CZ ARG A 53 -7.736 -3.212 5.990 1.00 0.00 C ATOM 783 NH1 ARG A 53 -8.420 -3.762 6.984 1.00 0.00 N ATOM 784 NH2 ARG A 53 -8.070 -3.479 4.734 1.00 0.00 N ATOM 0 H ARG A 53 -5.023 2.167 9.132 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.810 1.090 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.499 0.656 7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.258 0.321 6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.423 -1.268 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.717 -0.956 8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.923 -2.946 8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.141 -1.688 8.172 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.215 -1.991 5.462 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.166 -3.559 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.200 -4.388 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.546 -3.058 3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.850 -4.105 4.536 1.00 0.00 H new ATOM 798 N GLY A 54 -4.483 3.107 5.401 1.00 0.00 N ATOM 799 CA GLY A 54 -4.902 4.248 4.608 1.00 0.00 C ATOM 800 C GLY A 54 -4.327 4.223 3.206 1.00 0.00 C ATOM 801 O GLY A 54 -3.390 3.476 2.925 1.00 0.00 O ATOM 0 H GLY A 54 -3.602 2.683 5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.990 4.266 4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.594 5.166 5.107 1.00 0.00 H new ATOM 805 N VAL A 55 -4.890 5.041 2.322 1.00 0.00 N ATOM 806 CA VAL A 55 -4.428 5.110 0.941 1.00 0.00 C ATOM 807 C VAL A 55 -3.235 6.050 0.807 1.00 0.00 C ATOM 808 O VAL A 55 -2.971 6.865 1.690 1.00 0.00 O ATOM 809 CB VAL A 55 -5.549 5.582 -0.003 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.687 4.573 -0.029 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.053 6.955 0.414 1.00 0.00 C ATOM 0 H VAL A 55 -5.667 5.665 2.538 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.126 4.102 0.657 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.142 5.660 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.469 4.924 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.312 3.611 -0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.096 4.460 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.845 7.273 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.443 6.906 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.232 7.671 0.375 1.00 0.00 H new ATOM 821 N PHE A 56 -2.518 5.931 -0.305 1.00 0.00 N ATOM 822 CA PHE A 56 -1.352 6.770 -0.556 1.00 0.00 C ATOM 823 C PHE A 56 -0.973 6.747 -2.034 1.00 0.00 C ATOM 824 O PHE A 56 -1.245 5.788 -2.756 1.00 0.00 O ATOM 825 CB PHE A 56 -0.168 6.301 0.292 1.00 0.00 C ATOM 826 CG PHE A 56 0.251 4.887 0.009 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.863 4.559 -1.190 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.031 3.886 0.941 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.249 3.258 -1.454 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.416 2.583 0.683 1.00 0.00 C ATOM 831 CZ PHE A 56 1.024 2.269 -0.517 1.00 0.00 C ATOM 0 H PHE A 56 -2.724 5.262 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.606 7.793 -0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.679 6.964 0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.429 6.390 1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.041 5.328 -1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.446 4.126 1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.726 3.015 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.242 1.812 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.323 1.252 -0.722 1.00 0.00 H new ATOM 841 N PRO A 57 -0.331 7.830 -2.497 1.00 0.00 N ATOM 842 CA PRO A 57 0.099 7.960 -3.892 1.00 0.00 C ATOM 843 C PRO A 57 1.244 7.014 -4.236 1.00 0.00 C ATOM 844 O PRO A 57 2.370 7.190 -3.770 1.00 0.00 O ATOM 845 CB PRO A 57 0.562 9.416 -3.986 1.00 0.00 C ATOM 846 CG PRO A 57 0.949 9.781 -2.595 1.00 0.00 C ATOM 847 CD PRO A 57 0.026 9.011 -1.692 1.00 0.00 C ATOM 0 HA PRO A 57 -0.699 7.706 -4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.403 9.520 -4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.234 10.061 -4.358 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.990 9.524 -2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.849 10.854 -2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.517 8.729 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.854 9.596 -1.424 1.00 0.00 H new ATOM 855 N ASP A 58 0.949 6.010 -5.055 1.00 0.00 N ATOM 856 CA ASP A 58 1.955 5.036 -5.463 1.00 0.00 C ATOM 857 C ASP A 58 3.228 5.733 -5.933 1.00 0.00 C ATOM 858 O ASP A 58 4.332 5.230 -5.733 1.00 0.00 O ATOM 859 CB ASP A 58 1.407 4.142 -6.577 1.00 0.00 C ATOM 860 CG ASP A 58 2.505 3.571 -7.453 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.595 3.274 -6.922 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.273 3.420 -8.671 1.00 0.00 O ATOM 0 H ASP A 58 0.022 5.849 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 58 2.199 4.419 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.836 3.325 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.716 4.717 -7.194 1.00 0.00 H new ATOM 867 N ASN A 59 3.063 6.893 -6.561 1.00 0.00 N ATOM 868 CA ASN A 59 4.199 7.659 -7.061 1.00 0.00 C ATOM 869 C ASN A 59 5.191 7.956 -5.940 1.00 0.00 C ATOM 870 O ASN A 59 6.401 7.993 -6.161 1.00 0.00 O ATOM 871 CB ASN A 59 3.720 8.967 -7.694 1.00 0.00 C ATOM 872 CG ASN A 59 2.814 8.734 -8.887 1.00 0.00 C ATOM 873 OD1 ASN A 59 3.022 7.803 -9.666 1.00 0.00 O ATOM 874 ND2 ASN A 59 1.803 9.581 -9.036 1.00 0.00 N ATOM 0 H ASN A 59 2.155 7.323 -6.736 1.00 0.00 H new ATOM 0 HA ASN A 59 4.704 7.060 -7.819 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.188 9.556 -6.947 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.584 9.554 -8.006 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.160 9.475 -9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.669 10.338 -8.366 1.00 0.00 H new ATOM 881 N PHE A 60 4.669 8.168 -4.737 1.00 0.00 N ATOM 882 CA PHE A 60 5.507 8.463 -3.581 1.00 0.00 C ATOM 883 C PHE A 60 6.184 7.198 -3.063 1.00 0.00 C ATOM 884 O PHE A 60 6.936 7.236 -2.089 1.00 0.00 O ATOM 885 CB PHE A 60 4.673 9.101 -2.468 1.00 0.00 C ATOM 886 CG PHE A 60 4.342 10.544 -2.719 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.626 10.919 -3.844 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.746 11.526 -1.829 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.321 12.246 -4.078 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.444 12.856 -2.058 1.00 0.00 C ATOM 891 CZ PHE A 60 3.729 13.216 -3.183 1.00 0.00 C ATOM 0 H PHE A 60 3.669 8.141 -4.537 1.00 0.00 H new ATOM 0 HA PHE A 60 6.279 9.165 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.746 8.539 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.216 9.020 -1.526 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.302 10.165 -4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.303 11.250 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.764 12.525 -4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.767 13.612 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.489 14.254 -3.363 1.00 0.00 H new ATOM 901 N VAL A 61 5.911 6.076 -3.721 1.00 0.00 N ATOM 902 CA VAL A 61 6.492 4.798 -3.328 1.00 0.00 C ATOM 903 C VAL A 61 6.878 3.971 -4.550 1.00 0.00 C ATOM 904 O VAL A 61 6.586 4.347 -5.686 1.00 0.00 O ATOM 905 CB VAL A 61 5.519 3.982 -2.457 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.238 4.705 -1.149 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.227 3.710 -3.214 1.00 0.00 C ATOM 0 H VAL A 61 5.291 6.026 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 61 7.386 5.023 -2.747 1.00 0.00 H new ATOM 0 HB VAL A 61 5.984 3.025 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.549 4.113 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.171 4.843 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.793 5.678 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.551 3.132 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.755 4.656 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.448 3.147 -4.121 1.00 0.00 H new ATOM 917 N LYS A 62 7.537 2.842 -4.310 1.00 0.00 N ATOM 918 CA LYS A 62 7.962 1.960 -5.390 1.00 0.00 C ATOM 919 C LYS A 62 7.863 0.497 -4.968 1.00 0.00 C ATOM 920 O LYS A 62 7.976 0.173 -3.785 1.00 0.00 O ATOM 921 CB LYS A 62 9.399 2.285 -5.806 1.00 0.00 C ATOM 922 CG LYS A 62 9.496 3.392 -6.841 1.00 0.00 C ATOM 923 CD LYS A 62 10.809 3.330 -7.603 1.00 0.00 C ATOM 924 CE LYS A 62 11.947 3.946 -6.802 1.00 0.00 C ATOM 925 NZ LYS A 62 13.039 4.445 -7.684 1.00 0.00 N ATOM 0 H LYS A 62 7.788 2.517 -3.377 1.00 0.00 H new ATOM 0 HA LYS A 62 7.299 2.121 -6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.968 2.574 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.866 1.384 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.664 3.311 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.405 4.360 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.047 2.292 -7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.705 3.855 -8.553 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.563 4.769 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.348 3.204 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.795 4.857 -7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.423 3.656 -8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.662 5.171 -8.326 1.00 0.00 H new ATOM 939 N LEU A 63 7.653 -0.382 -5.942 1.00 0.00 N ATOM 940 CA LEU A 63 7.540 -1.811 -5.671 1.00 0.00 C ATOM 941 C LEU A 63 8.915 -2.471 -5.653 1.00 0.00 C ATOM 942 O LEU A 63 9.578 -2.580 -6.686 1.00 0.00 O ATOM 943 CB LEU A 63 6.654 -2.480 -6.723 1.00 0.00 C ATOM 944 CG LEU A 63 5.162 -2.549 -6.398 1.00 0.00 C ATOM 945 CD1 LEU A 63 4.910 -3.512 -5.248 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.624 -1.165 -6.064 1.00 0.00 C ATOM 0 H LEU A 63 7.558 -0.130 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 63 7.084 -1.936 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.776 -1.945 -7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.018 -3.495 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 63 4.635 -2.919 -7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.842 -3.548 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.258 -4.507 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.449 -3.172 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.560 -1.233 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.156 -0.767 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.770 -0.502 -6.917 1.00 0.00 H new ATOM 958 N LEU A 64 9.338 -2.914 -4.474 1.00 0.00 N ATOM 959 CA LEU A 64 10.633 -3.567 -4.321 1.00 0.00 C ATOM 960 C LEU A 64 10.598 -4.984 -4.883 1.00 0.00 C ATOM 961 O LEU A 64 9.539 -5.606 -4.959 1.00 0.00 O ATOM 962 CB LEU A 64 11.038 -3.600 -2.846 1.00 0.00 C ATOM 963 CG LEU A 64 10.984 -2.264 -2.105 1.00 0.00 C ATOM 964 CD1 LEU A 64 11.100 -2.481 -0.604 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.083 -1.335 -2.597 1.00 0.00 C ATOM 0 H LEU A 64 8.802 -2.833 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 64 11.371 -2.993 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.390 -4.307 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.054 -3.990 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 64 10.021 -1.796 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.060 -1.519 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.277 -3.108 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.047 -2.972 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.028 -0.389 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.055 -1.797 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.955 -1.152 -3.664 1.00 0.00 H new ATOM 977 N SER A 65 11.764 -5.490 -5.273 1.00 0.00 N ATOM 978 CA SER A 65 11.866 -6.834 -5.829 1.00 0.00 C ATOM 979 C SER A 65 13.204 -7.471 -5.466 1.00 0.00 C ATOM 980 O SER A 65 14.264 -6.980 -5.852 1.00 0.00 O ATOM 981 CB SER A 65 11.705 -6.793 -7.350 1.00 0.00 C ATOM 982 OG SER A 65 11.757 -8.096 -7.904 1.00 0.00 O ATOM 0 H SER A 65 12.651 -4.989 -5.214 1.00 0.00 H new ATOM 0 HA SER A 65 11.066 -7.439 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.755 -6.323 -7.606 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.492 -6.178 -7.786 1.00 0.00 H new ATOM 0 HG SER A 65 11.650 -8.042 -8.877 1.00 0.00 H new ATOM 988 N GLY A 66 13.145 -8.570 -4.720 1.00 0.00 N ATOM 989 CA GLY A 66 14.358 -9.258 -4.316 1.00 0.00 C ATOM 990 C GLY A 66 14.171 -10.760 -4.229 1.00 0.00 C ATOM 991 O GLY A 66 13.381 -11.352 -4.965 1.00 0.00 O ATOM 0 H GLY A 66 12.280 -8.996 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.153 -9.035 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.682 -8.878 -3.347 1.00 0.00 H new ATOM 995 N PRO A 67 14.911 -11.400 -3.312 1.00 0.00 N ATOM 996 CA PRO A 67 14.842 -12.851 -3.111 1.00 0.00 C ATOM 997 C PRO A 67 13.519 -13.287 -2.490 1.00 0.00 C ATOM 998 O PRO A 67 13.169 -12.861 -1.390 1.00 0.00 O ATOM 999 CB PRO A 67 16.001 -13.132 -2.152 1.00 0.00 C ATOM 1000 CG PRO A 67 16.209 -11.850 -1.423 1.00 0.00 C ATOM 1001 CD PRO A 67 15.873 -10.758 -2.401 1.00 0.00 C ATOM 0 HA PRO A 67 14.908 -13.397 -4.052 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.759 -13.943 -1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.899 -13.430 -2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.570 -11.794 -0.541 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.239 -11.761 -1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 67 15.438 -9.892 -1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.758 -10.408 -2.933 1.00 0.00 H new ATOM 1009 N SER A 68 12.789 -14.140 -3.203 1.00 0.00 N ATOM 1010 CA SER A 68 11.503 -14.631 -2.722 1.00 0.00 C ATOM 1011 C SER A 68 11.694 -15.792 -1.750 1.00 0.00 C ATOM 1012 O SER A 68 12.163 -16.864 -2.131 1.00 0.00 O ATOM 1013 CB SER A 68 10.631 -15.075 -3.899 1.00 0.00 C ATOM 1014 OG SER A 68 9.380 -15.566 -3.449 1.00 0.00 O ATOM 0 H SER A 68 13.066 -14.505 -4.114 1.00 0.00 H new ATOM 0 HA SER A 68 11.004 -13.817 -2.196 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.474 -14.236 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.147 -15.850 -4.466 1.00 0.00 H new ATOM 0 HG SER A 68 8.841 -15.842 -4.219 1.00 0.00 H new ATOM 1020 N SER A 69 11.326 -15.568 -0.493 1.00 0.00 N ATOM 1021 CA SER A 69 11.460 -16.593 0.536 1.00 0.00 C ATOM 1022 C SER A 69 11.196 -17.980 -0.041 1.00 0.00 C ATOM 1023 O SER A 69 11.892 -18.942 0.280 1.00 0.00 O ATOM 1024 CB SER A 69 10.494 -16.316 1.690 1.00 0.00 C ATOM 1025 OG SER A 69 9.148 -16.492 1.283 1.00 0.00 O ATOM 0 H SER A 69 10.933 -14.687 -0.162 1.00 0.00 H new ATOM 0 HA SER A 69 12.483 -16.564 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.716 -16.984 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 69 10.637 -15.298 2.052 1.00 0.00 H new ATOM 0 HG SER A 69 8.551 -16.311 2.039 1.00 0.00 H new ATOM 1031 N GLY A 70 10.182 -18.075 -0.896 1.00 0.00 N ATOM 1032 CA GLY A 70 9.842 -19.348 -1.505 1.00 0.00 C ATOM 1033 C GLY A 70 8.472 -19.843 -1.087 1.00 0.00 C ATOM 1034 O GLY A 70 8.199 -20.005 0.102 1.00 0.00 O ATOM 0 H GLY A 70 9.590 -17.293 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.873 -19.248 -2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.592 -20.090 -1.231 1.00 0.00 H new TER 1038 GLY A 70