USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 375 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.7) USER MOD Single : A 7 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.8) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 106:sc= 1.04 USER MOD Single : A 15 THR OG1 : rot 160:sc= -0.769 USER MOD Single : A 17 SER OG : rot -41:sc= 0.973 USER MOD Single : A 26 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-4) USER MOD Single : A 27 HIS : no HD1:sc= -1 K(o=-1,f=-2.3) USER MOD Single : A 29 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-1.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00246 USER MOD Single : A 45 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.9) USER MOD Single : A 47 THR OG1 : rot -100:sc= -1.05 USER MOD Single : A 49 SER OG : rot 180:sc= 0.141 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.565 K(o=0.56,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= 0.312 (180deg=0.0341) USER MOD ----------------------------------------------------------------- ATOM 36 N VAL A 4 -4.345 6.311 0.089 1.00 53.54 N ATOM 37 CA VAL A 4 -4.047 6.625 -1.304 1.00 2.13 C ATOM 38 C VAL A 4 -4.575 8.004 -1.682 1.00 4.53 C ATOM 39 O VAL A 4 -5.639 8.420 -1.226 1.00 30.24 O ATOM 40 CB VAL A 4 -4.651 5.577 -2.257 1.00 51.21 C ATOM 41 CG1 VAL A 4 -4.056 4.204 -1.987 1.00 74.52 C ATOM 42 CG2 VAL A 4 -6.166 5.547 -2.124 1.00 12.05 C ATOM 0 HA VAL A 4 -2.962 6.615 -1.405 1.00 2.13 H new ATOM 0 HB VAL A 4 -4.405 5.858 -3.281 1.00 51.21 H new ATOM 0 HG11 VAL A 4 -4.495 3.477 -2.670 1.00 74.52 H new ATOM 0 HG12 VAL A 4 -2.977 4.239 -2.138 1.00 74.52 H new ATOM 0 HG13 VAL A 4 -4.269 3.911 -0.959 1.00 74.52 H new ATOM 0 HG21 VAL A 4 -6.576 4.801 -2.805 1.00 12.05 H new ATOM 0 HG22 VAL A 4 -6.436 5.291 -1.099 1.00 12.05 H new ATOM 0 HG23 VAL A 4 -6.573 6.527 -2.373 1.00 12.05 H new ATOM 52 N GLY A 5 -3.822 8.711 -2.520 1.00 10.12 N ATOM 53 CA GLY A 5 -4.231 10.037 -2.946 1.00 24.22 C ATOM 54 C GLY A 5 -5.549 10.025 -3.694 1.00 64.34 C ATOM 55 O GLY A 5 -5.986 8.982 -4.178 1.00 65.53 O ATOM 0 H GLY A 5 -2.937 8.389 -2.911 1.00 10.12 H new ATOM 0 HA2 GLY A 5 -4.318 10.685 -2.074 1.00 24.22 H new ATOM 0 HA3 GLY A 5 -3.458 10.464 -3.585 1.00 24.22 H new ATOM 59 N ASN A 6 -6.185 11.188 -3.788 1.00 64.04 N ATOM 60 CA ASN A 6 -7.462 11.307 -4.482 1.00 33.45 C ATOM 61 C ASN A 6 -7.262 11.801 -5.911 1.00 61.40 C ATOM 62 O ASN A 6 -8.152 11.677 -6.752 1.00 25.14 O ATOM 63 CB ASN A 6 -8.390 12.260 -3.726 1.00 4.53 C ATOM 64 CG ASN A 6 -8.446 11.957 -2.241 1.00 22.30 C ATOM 65 OD1 ASN A 6 -8.061 10.873 -1.803 1.00 21.51 O ATOM 66 ND2 ASN A 6 -8.927 12.916 -1.459 1.00 35.21 N ATOM 0 H ASN A 6 -5.837 12.061 -3.392 1.00 64.04 H new ATOM 0 HA ASN A 6 -7.919 10.318 -4.520 1.00 33.45 H new ATOM 0 HB2 ASN A 6 -8.050 13.285 -3.872 1.00 4.53 H new ATOM 0 HB3 ASN A 6 -9.394 12.194 -4.145 1.00 4.53 H new ATOM 0 HD21 ASN A 6 -8.989 12.769 -0.451 1.00 35.21 H new ATOM 0 HD22 ASN A 6 -9.235 13.799 -1.866 1.00 35.21 H new ATOM 73 N ASN A 7 -6.086 12.360 -6.179 1.00 14.24 N ATOM 74 CA ASN A 7 -5.769 12.873 -7.506 1.00 64.04 C ATOM 75 C ASN A 7 -6.030 11.816 -8.575 1.00 21.32 C ATOM 76 O ASN A 7 -5.566 10.680 -8.467 1.00 42.34 O ATOM 77 CB ASN A 7 -4.308 13.324 -7.566 1.00 24.35 C ATOM 78 CG ASN A 7 -4.026 14.493 -6.642 1.00 44.22 C ATOM 79 OD1 ASN A 7 -3.677 14.308 -5.476 1.00 71.11 O ATOM 80 ND2 ASN A 7 -4.176 15.706 -7.161 1.00 42.33 N ATOM 0 H ASN A 7 -5.338 12.469 -5.495 1.00 14.24 H new ATOM 0 HA ASN A 7 -6.415 13.729 -7.701 1.00 64.04 H new ATOM 0 HB2 ASN A 7 -3.661 12.488 -7.298 1.00 24.35 H new ATOM 0 HB3 ASN A 7 -4.059 13.605 -8.589 1.00 24.35 H new ATOM 0 HD21 ASN A 7 -4.000 16.531 -6.588 1.00 42.33 H new ATOM 0 HD22 ASN A 7 -4.467 15.813 -8.133 1.00 42.33 H new ATOM 87 N LYS A 8 -6.776 12.197 -9.606 1.00 63.43 N ATOM 88 CA LYS A 8 -7.098 11.284 -10.696 1.00 73.44 C ATOM 89 C LYS A 8 -5.888 11.063 -11.598 1.00 3.22 C ATOM 90 O LYS A 8 -5.606 9.939 -12.013 1.00 35.51 O ATOM 91 CB LYS A 8 -8.267 11.831 -11.519 1.00 1.22 C ATOM 92 CG LYS A 8 -9.621 11.633 -10.859 1.00 64.22 C ATOM 93 CD LYS A 8 -10.274 10.336 -11.307 1.00 15.31 C ATOM 94 CE LYS A 8 -11.781 10.371 -11.098 1.00 63.41 C ATOM 95 NZ LYS A 8 -12.258 9.202 -10.308 1.00 61.34 N ATOM 0 H LYS A 8 -7.169 13.132 -9.710 1.00 63.43 H new ATOM 0 HA LYS A 8 -7.384 10.326 -10.261 1.00 73.44 H new ATOM 0 HB2 LYS A 8 -8.110 12.895 -11.695 1.00 1.22 H new ATOM 0 HB3 LYS A 8 -8.273 11.344 -12.494 1.00 1.22 H new ATOM 0 HG2 LYS A 8 -9.501 11.626 -9.776 1.00 64.22 H new ATOM 0 HG3 LYS A 8 -10.272 12.473 -11.103 1.00 64.22 H new ATOM 0 HD2 LYS A 8 -10.055 10.162 -12.361 1.00 15.31 H new ATOM 0 HD3 LYS A 8 -9.847 9.501 -10.751 1.00 15.31 H new ATOM 0 HE2 LYS A 8 -12.055 11.293 -10.585 1.00 63.41 H new ATOM 0 HE3 LYS A 8 -12.282 10.384 -12.066 1.00 63.41 H new ATOM 0 HZ1 LYS A 8 -13.289 9.262 -10.187 1.00 61.34 H new ATOM 0 HZ2 LYS A 8 -12.019 8.323 -10.810 1.00 61.34 H new ATOM 0 HZ3 LYS A 8 -11.799 9.203 -9.375 1.00 61.34 H new ATOM 109 N CYS A 9 -5.173 12.143 -11.896 1.00 13.21 N ATOM 110 CA CYS A 9 -3.992 12.068 -12.747 1.00 50.41 C ATOM 111 C CYS A 9 -4.305 11.335 -14.048 1.00 63.12 C ATOM 112 O CYS A 9 -3.718 10.293 -14.342 1.00 2.33 O ATOM 113 CB CYS A 9 -2.852 11.362 -12.012 1.00 23.44 C ATOM 114 SG CYS A 9 -2.402 12.131 -10.423 1.00 1.12 S ATOM 0 H CYS A 9 -5.391 13.081 -11.560 1.00 13.21 H new ATOM 0 HA CYS A 9 -3.684 13.085 -12.989 1.00 50.41 H new ATOM 0 HB2 CYS A 9 -3.136 10.325 -11.834 1.00 23.44 H new ATOM 0 HB3 CYS A 9 -1.973 11.345 -12.657 1.00 23.44 H new ATOM 119 N TRP A 10 -5.232 11.886 -14.823 1.00 62.10 N ATOM 120 CA TRP A 10 -5.622 11.284 -16.093 1.00 54.30 C ATOM 121 C TRP A 10 -4.618 11.624 -17.188 1.00 43.53 C ATOM 122 O TRP A 10 -3.586 12.243 -16.927 1.00 34.22 O ATOM 123 CB TRP A 10 -7.018 11.760 -16.498 1.00 52.55 C ATOM 124 CG TRP A 10 -7.197 13.244 -16.382 1.00 20.03 C ATOM 125 CD1 TRP A 10 -6.228 14.198 -16.503 1.00 3.42 C ATOM 126 CD2 TRP A 10 -8.419 13.942 -16.119 1.00 32.24 C ATOM 127 NE1 TRP A 10 -6.774 15.448 -16.331 1.00 23.51 N ATOM 128 CE2 TRP A 10 -8.117 15.317 -16.095 1.00 3.41 C ATOM 129 CE3 TRP A 10 -9.740 13.539 -15.903 1.00 62.21 C ATOM 130 CZ2 TRP A 10 -9.087 16.289 -15.863 1.00 21.42 C ATOM 131 CZ3 TRP A 10 -10.701 14.504 -15.673 1.00 15.04 C ATOM 132 CH2 TRP A 10 -10.372 15.866 -15.655 1.00 24.23 C ATOM 0 H TRP A 10 -5.727 12.748 -14.595 1.00 62.10 H new ATOM 0 HA TRP A 10 -5.637 10.202 -15.964 1.00 54.30 H new ATOM 0 HB2 TRP A 10 -7.213 11.457 -17.527 1.00 52.55 H new ATOM 0 HB3 TRP A 10 -7.759 11.262 -15.873 1.00 52.55 H new ATOM 0 HD1 TRP A 10 -5.186 14.000 -16.704 1.00 3.42 H new ATOM 0 HE1 TRP A 10 -6.262 16.329 -16.372 1.00 23.51 H new ATOM 0 HE3 TRP A 10 -10.004 12.492 -15.916 1.00 62.21 H new ATOM 0 HZ2 TRP A 10 -8.834 17.339 -15.848 1.00 21.42 H new ATOM 0 HZ3 TRP A 10 -11.724 14.203 -15.504 1.00 15.04 H new ATOM 0 HH2 TRP A 10 -11.147 16.596 -15.474 1.00 24.23 H new ATOM 143 N ALA A 11 -4.926 11.217 -18.415 1.00 64.12 N ATOM 144 CA ALA A 11 -4.050 11.481 -19.550 1.00 50.02 C ATOM 145 C ALA A 11 -3.702 12.963 -19.642 1.00 23.23 C ATOM 146 O ALA A 11 -4.578 13.805 -19.840 1.00 31.31 O ATOM 147 CB ALA A 11 -4.703 11.010 -20.841 1.00 63.42 C ATOM 0 H ALA A 11 -5.776 10.703 -18.648 1.00 64.12 H new ATOM 0 HA ALA A 11 -3.124 10.926 -19.400 1.00 50.02 H new ATOM 0 HB1 ALA A 11 -4.038 11.213 -21.680 1.00 63.42 H new ATOM 0 HB2 ALA A 11 -4.895 9.939 -20.782 1.00 63.42 H new ATOM 0 HB3 ALA A 11 -5.644 11.540 -20.987 1.00 63.42 H new ATOM 153 N ILE A 12 -2.418 13.274 -19.495 1.00 53.24 N ATOM 154 CA ILE A 12 -1.955 14.655 -19.562 1.00 74.32 C ATOM 155 C ILE A 12 -2.457 15.342 -20.828 1.00 2.24 C ATOM 156 O ILE A 12 -2.140 14.925 -21.941 1.00 24.04 O ATOM 157 CB ILE A 12 -0.418 14.735 -19.522 1.00 41.45 C ATOM 158 CG1 ILE A 12 0.118 14.053 -18.262 1.00 41.12 C ATOM 159 CG2 ILE A 12 0.038 16.186 -19.581 1.00 20.32 C ATOM 160 CD1 ILE A 12 -0.276 14.754 -16.981 1.00 54.32 C ATOM 0 H ILE A 12 -1.681 12.589 -19.329 1.00 53.24 H new ATOM 0 HA ILE A 12 -2.360 15.167 -18.689 1.00 74.32 H new ATOM 0 HB ILE A 12 -0.019 14.213 -20.392 1.00 41.45 H new ATOM 0 HG12 ILE A 12 -0.246 13.026 -18.232 1.00 41.12 H new ATOM 0 HG13 ILE A 12 1.205 14.004 -18.320 1.00 41.12 H new ATOM 0 HG21 ILE A 12 1.127 16.227 -19.552 1.00 20.32 H new ATOM 0 HG22 ILE A 12 -0.318 16.642 -20.505 1.00 20.32 H new ATOM 0 HG23 ILE A 12 -0.368 16.730 -18.728 1.00 20.32 H new ATOM 0 HD11 ILE A 12 0.139 14.215 -16.129 1.00 54.32 H new ATOM 0 HD12 ILE A 12 0.112 15.773 -16.990 1.00 54.32 H new ATOM 0 HD13 ILE A 12 -1.363 14.780 -16.900 1.00 54.32 H new ATOM 172 N GLY A 13 -3.241 16.401 -20.648 1.00 74.34 N ATOM 173 CA GLY A 13 -3.773 17.131 -21.784 1.00 60.24 C ATOM 174 C GLY A 13 -5.274 17.323 -21.699 1.00 10.52 C ATOM 175 O GLY A 13 -5.831 18.219 -22.336 1.00 23.44 O ATOM 0 H GLY A 13 -3.517 16.766 -19.736 1.00 74.34 H new ATOM 0 HA2 GLY A 13 -3.288 18.105 -21.845 1.00 60.24 H new ATOM 0 HA3 GLY A 13 -3.530 16.596 -22.702 1.00 60.24 H new ATOM 179 N THR A 14 -5.933 16.480 -20.910 1.00 55.32 N ATOM 180 CA THR A 14 -7.379 16.560 -20.746 1.00 34.13 C ATOM 181 C THR A 14 -7.781 17.844 -20.030 1.00 14.15 C ATOM 182 O THR A 14 -6.988 18.433 -19.295 1.00 25.11 O ATOM 183 CB THR A 14 -7.922 15.354 -19.956 1.00 72.32 C ATOM 184 OG1 THR A 14 -6.852 14.697 -19.268 1.00 10.35 O ATOM 185 CG2 THR A 14 -8.615 14.367 -20.884 1.00 15.41 C ATOM 0 H THR A 14 -5.488 15.734 -20.375 1.00 55.32 H new ATOM 0 HA THR A 14 -7.811 16.555 -21.747 1.00 34.13 H new ATOM 0 HB THR A 14 -8.649 15.720 -19.231 1.00 72.32 H new ATOM 0 HG1 THR A 14 -6.903 14.904 -18.311 1.00 10.35 H new ATOM 0 HG21 THR A 14 -8.990 13.524 -20.304 1.00 15.41 H new ATOM 0 HG22 THR A 14 -9.447 14.862 -21.385 1.00 15.41 H new ATOM 0 HG23 THR A 14 -7.905 14.008 -21.629 1.00 15.41 H new ATOM 193 N THR A 15 -9.020 18.275 -20.247 1.00 73.31 N ATOM 194 CA THR A 15 -9.528 19.490 -19.623 1.00 22.23 C ATOM 195 C THR A 15 -9.598 19.341 -18.107 1.00 43.32 C ATOM 196 O THR A 15 -10.093 18.338 -17.594 1.00 24.45 O ATOM 197 CB THR A 15 -10.926 19.854 -20.156 1.00 71.14 C ATOM 198 OG1 THR A 15 -11.176 19.164 -21.386 1.00 71.10 O ATOM 199 CG2 THR A 15 -11.047 21.354 -20.377 1.00 53.13 C ATOM 0 H THR A 15 -9.691 17.800 -20.851 1.00 73.31 H new ATOM 0 HA THR A 15 -8.832 20.290 -19.876 1.00 22.23 H new ATOM 0 HB THR A 15 -11.664 19.551 -19.413 1.00 71.14 H new ATOM 0 HG1 THR A 15 -12.141 19.134 -21.554 1.00 71.10 H new ATOM 0 HG21 THR A 15 -12.043 21.587 -20.754 1.00 53.13 H new ATOM 0 HG22 THR A 15 -10.885 21.875 -19.433 1.00 53.13 H new ATOM 0 HG23 THR A 15 -10.300 21.676 -21.103 1.00 53.13 H new ATOM 207 N CYS A 16 -9.100 20.347 -17.395 1.00 62.22 N ATOM 208 CA CYS A 16 -9.106 20.329 -15.937 1.00 63.25 C ATOM 209 C CYS A 16 -10.394 20.938 -15.391 1.00 43.22 C ATOM 210 O CYS A 16 -11.001 21.801 -16.024 1.00 54.42 O ATOM 211 CB CYS A 16 -7.896 21.091 -15.392 1.00 55.33 C ATOM 212 SG CYS A 16 -8.008 22.899 -15.587 1.00 42.13 S ATOM 0 H CYS A 16 -8.687 21.185 -17.804 1.00 62.22 H new ATOM 0 HA CYS A 16 -9.050 19.291 -15.611 1.00 63.25 H new ATOM 0 HB2 CYS A 16 -7.779 20.857 -14.334 1.00 55.33 H new ATOM 0 HB3 CYS A 16 -6.998 20.736 -15.898 1.00 55.33 H new ATOM 217 N SER A 17 -10.803 20.483 -14.212 1.00 35.43 N ATOM 218 CA SER A 17 -12.021 20.980 -13.581 1.00 63.22 C ATOM 219 C SER A 17 -11.910 20.916 -12.061 1.00 32.31 C ATOM 220 O SER A 17 -12.918 20.868 -11.356 1.00 12.34 O ATOM 221 CB SER A 17 -13.231 20.170 -14.051 1.00 22.15 C ATOM 222 OG SER A 17 -14.434 20.693 -13.514 1.00 24.31 O ATOM 0 H SER A 17 -10.309 19.771 -13.674 1.00 35.43 H new ATOM 0 HA SER A 17 -12.154 22.021 -13.874 1.00 63.22 H new ATOM 0 HB2 SER A 17 -13.280 20.182 -15.140 1.00 22.15 H new ATOM 0 HB3 SER A 17 -13.116 19.129 -13.748 1.00 22.15 H new ATOM 0 HG SER A 17 -14.293 20.942 -12.577 1.00 24.31 H new ATOM 228 N ASP A 18 -10.679 20.914 -11.563 1.00 45.43 N ATOM 229 CA ASP A 18 -10.434 20.857 -10.127 1.00 13.23 C ATOM 230 C ASP A 18 -10.935 19.540 -9.542 1.00 52.04 C ATOM 231 O ASP A 18 -11.124 18.561 -10.265 1.00 10.03 O ATOM 232 CB ASP A 18 -11.116 22.033 -9.425 1.00 21.33 C ATOM 233 CG ASP A 18 -10.269 22.610 -8.308 1.00 3.30 C ATOM 234 OD1 ASP A 18 -9.028 22.633 -8.454 1.00 74.35 O ATOM 235 OD2 ASP A 18 -10.846 23.041 -7.288 1.00 22.32 O ATOM 0 H ASP A 18 -9.834 20.951 -12.133 1.00 45.43 H new ATOM 0 HA ASP A 18 -9.358 20.920 -9.964 1.00 13.23 H new ATOM 0 HB2 ASP A 18 -11.330 22.814 -10.155 1.00 21.33 H new ATOM 0 HB3 ASP A 18 -12.073 21.705 -9.019 1.00 21.33 H new ATOM 240 N ASP A 19 -11.147 19.523 -8.231 1.00 54.22 N ATOM 241 CA ASP A 19 -11.626 18.326 -7.549 1.00 53.34 C ATOM 242 C ASP A 19 -10.620 17.187 -7.679 1.00 43.43 C ATOM 243 O ASP A 19 -10.997 16.027 -7.846 1.00 40.24 O ATOM 244 CB ASP A 19 -12.979 17.896 -8.119 1.00 62.31 C ATOM 245 CG ASP A 19 -13.758 17.017 -7.160 1.00 64.23 C ATOM 246 OD1 ASP A 19 -13.723 17.291 -5.942 1.00 53.12 O ATOM 247 OD2 ASP A 19 -14.402 16.055 -7.628 1.00 11.01 O ATOM 0 H ASP A 19 -10.995 20.325 -7.619 1.00 54.22 H new ATOM 0 HA ASP A 19 -11.744 18.563 -6.492 1.00 53.34 H new ATOM 0 HB2 ASP A 19 -13.568 18.782 -8.356 1.00 62.31 H new ATOM 0 HB3 ASP A 19 -12.822 17.358 -9.054 1.00 62.31 H new ATOM 252 N CYS A 20 -9.337 17.526 -7.603 1.00 12.53 N ATOM 253 CA CYS A 20 -8.275 16.534 -7.713 1.00 73.31 C ATOM 254 C CYS A 20 -8.339 15.817 -9.059 1.00 5.11 C ATOM 255 O CYS A 20 -7.790 14.727 -9.220 1.00 23.14 O ATOM 256 CB CYS A 20 -8.380 15.516 -6.576 1.00 23.05 C ATOM 257 SG CYS A 20 -6.934 15.488 -5.468 1.00 64.20 S ATOM 0 H CYS A 20 -9.008 18.482 -7.465 1.00 12.53 H new ATOM 0 HA CYS A 20 -7.319 17.052 -7.641 1.00 73.31 H new ATOM 0 HB2 CYS A 20 -9.271 15.735 -5.988 1.00 23.05 H new ATOM 0 HB3 CYS A 20 -8.516 14.523 -7.003 1.00 23.05 H new ATOM 262 N ASP A 21 -9.011 16.437 -10.022 1.00 0.40 N ATOM 263 CA ASP A 21 -9.145 15.860 -11.355 1.00 12.45 C ATOM 264 C ASP A 21 -7.777 15.641 -11.992 1.00 22.31 C ATOM 265 O ASP A 21 -7.637 14.858 -12.932 1.00 45.45 O ATOM 266 CB ASP A 21 -9.996 16.769 -12.244 1.00 22.24 C ATOM 267 CG ASP A 21 -11.479 16.489 -12.106 1.00 15.32 C ATOM 268 OD1 ASP A 21 -11.839 15.338 -11.780 1.00 40.31 O ATOM 269 OD2 ASP A 21 -12.281 17.422 -12.323 1.00 31.42 O ATOM 0 H ASP A 21 -9.472 17.339 -9.905 1.00 0.40 H new ATOM 0 HA ASP A 21 -9.639 14.893 -11.258 1.00 12.45 H new ATOM 0 HB2 ASP A 21 -9.800 17.810 -11.987 1.00 22.24 H new ATOM 0 HB3 ASP A 21 -9.699 16.636 -13.284 1.00 22.24 H new ATOM 274 N CYS A 22 -6.770 16.337 -11.474 1.00 71.34 N ATOM 275 CA CYS A 22 -5.413 16.220 -11.993 1.00 24.20 C ATOM 276 C CYS A 22 -4.444 15.801 -10.891 1.00 64.11 C ATOM 277 O CYS A 22 -4.858 15.412 -9.799 1.00 15.22 O ATOM 278 CB CYS A 22 -4.962 17.547 -12.606 1.00 13.31 C ATOM 279 SG CYS A 22 -4.114 17.376 -14.209 1.00 3.33 S ATOM 0 H CYS A 22 -6.869 16.988 -10.695 1.00 71.34 H new ATOM 0 HA CYS A 22 -5.412 15.452 -12.766 1.00 24.20 H new ATOM 0 HB2 CYS A 22 -5.833 18.190 -12.735 1.00 13.31 H new ATOM 0 HB3 CYS A 22 -4.295 18.050 -11.906 1.00 13.31 H new ATOM 284 N CYS A 23 -3.150 15.883 -11.185 1.00 54.34 N ATOM 285 CA CYS A 23 -2.121 15.513 -10.221 1.00 52.35 C ATOM 286 C CYS A 23 -1.692 16.721 -9.394 1.00 4.31 C ATOM 287 O CYS A 23 -1.915 17.873 -9.768 1.00 63.22 O ATOM 288 CB CYS A 23 -0.910 14.917 -10.941 1.00 4.30 C ATOM 289 SG CYS A 23 -0.784 13.105 -10.809 1.00 60.20 S ATOM 0 H CYS A 23 -2.790 16.203 -12.084 1.00 54.34 H new ATOM 0 HA CYS A 23 -2.540 14.765 -9.548 1.00 52.35 H new ATOM 0 HB2 CYS A 23 -0.956 15.191 -11.995 1.00 4.30 H new ATOM 0 HB3 CYS A 23 -0.003 15.364 -10.535 1.00 4.30 H new ATOM 294 N PRO A 24 -1.060 16.454 -8.241 1.00 42.22 N ATOM 295 CA PRO A 24 -0.585 17.506 -7.337 1.00 22.52 C ATOM 296 C PRO A 24 0.594 18.280 -7.917 1.00 13.23 C ATOM 297 O PRO A 24 0.778 19.460 -7.620 1.00 40.13 O ATOM 298 CB PRO A 24 -0.154 16.731 -6.089 1.00 4.55 C ATOM 299 CG PRO A 24 0.176 15.366 -6.585 1.00 32.14 C ATOM 300 CD PRO A 24 -0.760 15.105 -7.732 1.00 52.33 C ATOM 0 HA PRO A 24 -1.351 18.257 -7.146 1.00 22.52 H new ATOM 0 HB2 PRO A 24 0.708 17.198 -5.611 1.00 4.55 H new ATOM 0 HB3 PRO A 24 -0.952 16.700 -5.347 1.00 4.55 H new ATOM 0 HG2 PRO A 24 1.215 15.309 -6.909 1.00 32.14 H new ATOM 0 HG3 PRO A 24 0.046 14.623 -5.798 1.00 32.14 H new ATOM 0 HD2 PRO A 24 -0.296 14.481 -8.496 1.00 52.33 H new ATOM 0 HD3 PRO A 24 -1.663 14.589 -7.405 1.00 52.33 H new ATOM 308 N GLU A 25 1.388 17.608 -8.745 1.00 12.44 N ATOM 309 CA GLU A 25 2.549 18.235 -9.365 1.00 52.52 C ATOM 310 C GLU A 25 2.208 18.749 -10.761 1.00 43.32 C ATOM 311 O GLU A 25 3.094 18.965 -11.589 1.00 23.30 O ATOM 312 CB GLU A 25 3.711 17.243 -9.445 1.00 13.15 C ATOM 313 CG GLU A 25 4.709 17.382 -8.307 1.00 52.44 C ATOM 314 CD GLU A 25 6.043 17.936 -8.767 1.00 45.22 C ATOM 315 OE1 GLU A 25 6.131 19.160 -8.999 1.00 75.03 O ATOM 316 OE2 GLU A 25 7.001 17.145 -8.894 1.00 63.25 O ATOM 0 H GLU A 25 1.248 16.631 -9.002 1.00 12.44 H new ATOM 0 HA GLU A 25 2.846 19.082 -8.746 1.00 52.52 H new ATOM 0 HB2 GLU A 25 3.312 16.229 -9.446 1.00 13.15 H new ATOM 0 HB3 GLU A 25 4.232 17.382 -10.393 1.00 13.15 H new ATOM 0 HG2 GLU A 25 4.293 18.036 -7.541 1.00 52.44 H new ATOM 0 HG3 GLU A 25 4.864 16.408 -7.844 1.00 52.44 H new ATOM 323 N HIS A 26 0.918 18.943 -11.016 1.00 0.24 N ATOM 324 CA HIS A 26 0.459 19.432 -12.311 1.00 63.22 C ATOM 325 C HIS A 26 -0.450 20.646 -12.143 1.00 62.52 C ATOM 326 O HIS A 26 -0.716 21.085 -11.024 1.00 23.31 O ATOM 327 CB HIS A 26 -0.281 18.326 -13.064 1.00 21.10 C ATOM 328 CG HIS A 26 0.606 17.201 -13.500 1.00 23.42 C ATOM 329 ND1 HIS A 26 1.260 16.371 -12.613 1.00 70.04 N ATOM 330 CD2 HIS A 26 0.945 16.769 -14.737 1.00 61.40 C ATOM 331 CE1 HIS A 26 1.964 15.478 -13.286 1.00 51.44 C ATOM 332 NE2 HIS A 26 1.790 15.698 -14.577 1.00 74.42 N ATOM 0 H HIS A 26 0.172 18.769 -10.343 1.00 0.24 H new ATOM 0 HA HIS A 26 1.333 19.733 -12.889 1.00 63.22 H new ATOM 0 HB2 HIS A 26 -1.070 17.929 -12.426 1.00 21.10 H new ATOM 0 HB3 HIS A 26 -0.766 18.756 -13.940 1.00 21.10 H new ATOM 0 HD2 HIS A 26 0.613 17.188 -15.675 1.00 61.40 H new ATOM 0 HE1 HIS A 26 2.577 14.701 -12.854 1.00 51.44 H new ATOM 0 HE2 HIS A 26 2.214 15.160 -15.332 1.00 74.42 H new ATOM 340 N HIS A 27 -0.923 21.184 -13.263 1.00 31.13 N ATOM 341 CA HIS A 27 -1.802 22.347 -13.239 1.00 54.42 C ATOM 342 C HIS A 27 -2.565 22.479 -14.554 1.00 32.50 C ATOM 343 O HIS A 27 -2.481 21.609 -15.422 1.00 50.21 O ATOM 344 CB HIS A 27 -0.994 23.618 -12.976 1.00 14.41 C ATOM 345 CG HIS A 27 -1.681 24.586 -12.061 1.00 62.24 C ATOM 346 ND1 HIS A 27 -1.875 24.343 -10.718 1.00 0.20 N ATOM 347 CD2 HIS A 27 -2.218 25.804 -12.304 1.00 14.12 C ATOM 348 CE1 HIS A 27 -2.504 25.370 -10.174 1.00 20.41 C ATOM 349 NE2 HIS A 27 -2.724 26.270 -11.115 1.00 4.11 N ATOM 0 H HIS A 27 -0.712 20.833 -14.197 1.00 31.13 H new ATOM 0 HA HIS A 27 -2.523 22.210 -12.433 1.00 54.42 H new ATOM 0 HB2 HIS A 27 -0.031 23.344 -12.545 1.00 14.41 H new ATOM 0 HB3 HIS A 27 -0.789 24.112 -13.926 1.00 14.41 H new ATOM 0 HD2 HIS A 27 -2.244 26.315 -13.255 1.00 14.12 H new ATOM 0 HE1 HIS A 27 -2.790 25.458 -9.136 1.00 20.41 H new ATOM 0 HE2 HIS A 27 -3.193 27.166 -10.981 1.00 4.11 H new ATOM 357 N CYS A 28 -3.310 23.570 -14.694 1.00 31.01 N ATOM 358 CA CYS A 28 -4.089 23.815 -15.902 1.00 12.14 C ATOM 359 C CYS A 28 -3.314 24.692 -16.880 1.00 41.33 C ATOM 360 O CYS A 28 -2.625 25.630 -16.478 1.00 45.45 O ATOM 361 CB CYS A 28 -5.421 24.480 -15.548 1.00 40.13 C ATOM 362 SG CYS A 28 -6.451 23.516 -14.395 1.00 43.14 S ATOM 0 H CYS A 28 -3.391 24.299 -13.985 1.00 31.01 H new ATOM 0 HA CYS A 28 -4.285 22.855 -16.379 1.00 12.14 H new ATOM 0 HB2 CYS A 28 -5.221 25.458 -15.109 1.00 40.13 H new ATOM 0 HB3 CYS A 28 -5.984 24.651 -16.465 1.00 40.13 H new ATOM 367 N HIS A 29 -3.432 24.381 -18.167 1.00 61.32 N ATOM 368 CA HIS A 29 -2.743 25.141 -19.204 1.00 71.11 C ATOM 369 C HIS A 29 -3.742 25.780 -20.164 1.00 35.22 C ATOM 370 O HIS A 29 -4.638 25.111 -20.681 1.00 25.41 O ATOM 371 CB HIS A 29 -1.783 24.236 -19.977 1.00 33.20 C ATOM 372 CG HIS A 29 -0.846 24.984 -20.874 1.00 40.01 C ATOM 373 ND1 HIS A 29 -0.576 26.328 -20.728 1.00 12.35 N ATOM 374 CD2 HIS A 29 -0.112 24.568 -21.933 1.00 33.23 C ATOM 375 CE1 HIS A 29 0.281 26.707 -21.658 1.00 44.12 C ATOM 376 NE2 HIS A 29 0.579 25.657 -22.402 1.00 42.34 N ATOM 0 H HIS A 29 -3.998 23.608 -18.517 1.00 61.32 H new ATOM 0 HA HIS A 29 -2.173 25.934 -18.720 1.00 71.11 H new ATOM 0 HB2 HIS A 29 -1.201 23.647 -19.268 1.00 33.20 H new ATOM 0 HB3 HIS A 29 -2.362 23.533 -20.576 1.00 33.20 H new ATOM 0 HD2 HIS A 29 -0.077 23.566 -22.334 1.00 33.23 H new ATOM 0 HE1 HIS A 29 0.672 27.705 -21.788 1.00 44.12 H new ATOM 0 HE2 HIS A 29 1.219 25.656 -23.196 1.00 42.34 H new ATOM 384 N CYS A 30 -3.584 27.078 -20.397 1.00 13.41 N ATOM 385 CA CYS A 30 -4.473 27.809 -21.293 1.00 24.30 C ATOM 386 C CYS A 30 -3.750 28.992 -21.930 1.00 2.11 C ATOM 387 O CYS A 30 -3.916 30.143 -21.526 1.00 51.45 O ATOM 388 CB CYS A 30 -5.707 28.300 -20.533 1.00 64.52 C ATOM 389 SG CYS A 30 -7.263 27.509 -21.053 1.00 72.04 S ATOM 0 H CYS A 30 -2.848 27.646 -19.978 1.00 13.41 H new ATOM 0 HA CYS A 30 -4.789 27.130 -22.085 1.00 24.30 H new ATOM 0 HB2 CYS A 30 -5.559 28.122 -19.468 1.00 64.52 H new ATOM 0 HB3 CYS A 30 -5.798 29.378 -20.666 1.00 64.52 H new ATOM 394 N PRO A 31 -2.928 28.704 -22.950 1.00 23.12 N ATOM 395 CA PRO A 31 -2.164 29.730 -23.665 1.00 43.31 C ATOM 396 C PRO A 31 -3.056 30.633 -24.511 1.00 24.22 C ATOM 397 O PRO A 31 -4.281 30.578 -24.413 1.00 10.13 O ATOM 398 CB PRO A 31 -1.226 28.916 -24.559 1.00 61.54 C ATOM 399 CG PRO A 31 -1.926 27.615 -24.757 1.00 42.32 C ATOM 400 CD PRO A 31 -2.681 27.354 -23.484 1.00 32.24 C ATOM 0 HA PRO A 31 -1.646 30.402 -22.981 1.00 43.31 H new ATOM 0 HB2 PRO A 31 -1.049 29.419 -25.510 1.00 61.54 H new ATOM 0 HB3 PRO A 31 -0.253 28.775 -24.088 1.00 61.54 H new ATOM 0 HG2 PRO A 31 -2.603 27.662 -25.610 1.00 42.32 H new ATOM 0 HG3 PRO A 31 -1.214 26.815 -24.959 1.00 42.32 H new ATOM 0 HD2 PRO A 31 -3.612 26.820 -23.672 1.00 32.24 H new ATOM 0 HD3 PRO A 31 -2.100 26.747 -22.789 1.00 32.24 H new ATOM 408 N ALA A 32 -2.432 31.462 -25.341 1.00 54.25 N ATOM 409 CA ALA A 32 -3.170 32.375 -26.206 1.00 74.41 C ATOM 410 C ALA A 32 -2.533 32.457 -27.589 1.00 3.02 C ATOM 411 O ALA A 32 -1.320 32.625 -27.715 1.00 75.01 O ATOM 412 CB ALA A 32 -3.245 33.757 -25.574 1.00 21.51 C ATOM 0 H ALA A 32 -1.418 31.520 -25.433 1.00 54.25 H new ATOM 0 HA ALA A 32 -4.182 31.986 -26.324 1.00 74.41 H new ATOM 0 HB1 ALA A 32 -3.799 34.428 -26.231 1.00 21.51 H new ATOM 0 HB2 ALA A 32 -3.753 33.690 -24.612 1.00 21.51 H new ATOM 0 HB3 ALA A 32 -2.237 34.144 -25.426 1.00 21.51 H new ATOM 418 N GLY A 33 -3.358 32.337 -28.624 1.00 60.25 N ATOM 419 CA GLY A 33 -2.856 32.400 -29.985 1.00 24.55 C ATOM 420 C GLY A 33 -3.604 33.409 -30.833 1.00 23.31 C ATOM 421 O GLY A 33 -4.703 33.835 -30.480 1.00 35.23 O ATOM 0 H GLY A 33 -4.365 32.197 -28.545 1.00 60.25 H new ATOM 0 HA2 GLY A 33 -1.797 32.659 -29.967 1.00 24.55 H new ATOM 0 HA3 GLY A 33 -2.935 31.415 -30.444 1.00 24.55 H new ATOM 425 N LYS A 34 -3.006 33.794 -31.955 1.00 52.23 N ATOM 426 CA LYS A 34 -3.622 34.760 -32.857 1.00 43.25 C ATOM 427 C LYS A 34 -5.033 34.326 -33.239 1.00 33.12 C ATOM 428 O LYS A 34 -5.386 33.153 -33.117 1.00 63.32 O ATOM 429 CB LYS A 34 -2.770 34.927 -34.118 1.00 21.41 C ATOM 430 CG LYS A 34 -2.275 36.346 -34.335 1.00 10.25 C ATOM 431 CD LYS A 34 -2.675 36.874 -35.702 1.00 74.21 C ATOM 432 CE LYS A 34 -2.587 38.391 -35.762 1.00 1.00 C ATOM 433 NZ LYS A 34 -1.209 38.854 -36.085 1.00 22.13 N ATOM 0 H LYS A 34 -2.095 33.452 -32.262 1.00 52.23 H new ATOM 0 HA LYS A 34 -3.683 35.716 -32.337 1.00 43.25 H new ATOM 0 HB2 LYS A 34 -1.912 34.257 -34.058 1.00 21.41 H new ATOM 0 HB3 LYS A 34 -3.355 34.619 -34.985 1.00 21.41 H new ATOM 0 HG2 LYS A 34 -2.681 36.996 -33.560 1.00 10.25 H new ATOM 0 HG3 LYS A 34 -1.190 36.372 -34.237 1.00 10.25 H new ATOM 0 HD2 LYS A 34 -2.027 36.441 -36.464 1.00 74.21 H new ATOM 0 HD3 LYS A 34 -3.693 36.558 -35.931 1.00 74.21 H new ATOM 0 HE2 LYS A 34 -3.282 38.766 -36.514 1.00 1.00 H new ATOM 0 HE3 LYS A 34 -2.896 38.811 -34.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 -1.190 39.893 -36.117 1.00 22.13 H new ATOM 0 HZ2 LYS A 34 -0.550 38.518 -35.354 1.00 22.13 H new ATOM 0 HZ3 LYS A 34 -0.923 38.474 -37.010 1.00 22.13 H new ATOM 447 N TRP A 35 -5.835 35.278 -33.701 1.00 75.12 N ATOM 448 CA TRP A 35 -7.209 34.992 -34.102 1.00 5.32 C ATOM 449 C TRP A 35 -7.962 34.273 -32.989 1.00 21.44 C ATOM 450 O TRP A 35 -7.967 33.043 -32.923 1.00 63.43 O ATOM 451 CB TRP A 35 -7.224 34.146 -35.375 1.00 73.54 C ATOM 452 CG TRP A 35 -8.577 33.589 -35.702 1.00 52.43 C ATOM 453 CD1 TRP A 35 -8.924 32.271 -35.780 1.00 74.11 C ATOM 454 CD2 TRP A 35 -9.762 34.337 -35.997 1.00 74.41 C ATOM 455 NE1 TRP A 35 -10.254 32.153 -36.106 1.00 12.44 N ATOM 456 CE2 TRP A 35 -10.791 33.406 -36.243 1.00 41.13 C ATOM 457 CE3 TRP A 35 -10.056 35.701 -36.075 1.00 65.41 C ATOM 458 CZ2 TRP A 35 -12.088 33.798 -36.563 1.00 12.14 C ATOM 459 CZ3 TRP A 35 -11.343 36.088 -36.392 1.00 54.14 C ATOM 460 CH2 TRP A 35 -12.347 35.140 -36.632 1.00 40.02 C ATOM 0 H TRP A 35 -5.559 36.254 -33.808 1.00 75.12 H new ATOM 0 HA TRP A 35 -7.709 35.940 -34.299 1.00 5.32 H new ATOM 0 HB2 TRP A 35 -6.877 34.754 -36.211 1.00 73.54 H new ATOM 0 HB3 TRP A 35 -6.517 33.324 -35.264 1.00 73.54 H new ATOM 0 HD1 TRP A 35 -8.252 31.443 -35.610 1.00 74.11 H new ATOM 0 HE1 TRP A 35 -10.759 31.275 -36.226 1.00 12.44 H new ATOM 0 HE3 TRP A 35 -9.290 36.440 -35.891 1.00 65.41 H new ATOM 0 HZ2 TRP A 35 -12.862 33.069 -36.750 1.00 12.14 H new ATOM 0 HZ3 TRP A 35 -11.580 37.140 -36.456 1.00 54.14 H new ATOM 0 HH2 TRP A 35 -13.344 35.475 -36.876 1.00 40.02 H new ATOM 471 N LEU A 36 -8.598 35.045 -32.115 1.00 42.30 N ATOM 472 CA LEU A 36 -9.355 34.481 -31.004 1.00 35.43 C ATOM 473 C LEU A 36 -8.454 33.649 -30.097 1.00 0.02 C ATOM 474 O LEU A 36 -8.492 32.418 -30.103 1.00 4.45 O ATOM 475 CB LEU A 36 -10.504 33.618 -31.530 1.00 10.12 C ATOM 476 CG LEU A 36 -11.856 34.318 -31.677 1.00 63.44 C ATOM 477 CD1 LEU A 36 -11.940 35.040 -33.013 1.00 2.00 C ATOM 478 CD2 LEU A 36 -12.993 33.316 -31.538 1.00 64.34 C ATOM 0 H LEU A 36 -8.604 36.064 -32.155 1.00 42.30 H new ATOM 0 HA LEU A 36 -9.765 35.306 -30.421 1.00 35.43 H new ATOM 0 HB2 LEU A 36 -10.216 33.219 -32.503 1.00 10.12 H new ATOM 0 HB3 LEU A 36 -10.629 32.767 -30.860 1.00 10.12 H new ATOM 0 HG LEU A 36 -11.950 35.057 -30.881 1.00 63.44 H new ATOM 0 HD11 LEU A 36 -12.909 35.532 -33.100 1.00 2.00 H new ATOM 0 HD12 LEU A 36 -11.147 35.786 -33.074 1.00 2.00 H new ATOM 0 HD13 LEU A 36 -11.824 34.320 -33.823 1.00 2.00 H new ATOM 0 HD21 LEU A 36 -13.947 33.831 -31.645 1.00 64.34 H new ATOM 0 HD22 LEU A 36 -12.903 32.554 -32.312 1.00 64.34 H new ATOM 0 HD23 LEU A 36 -12.944 32.844 -30.557 1.00 64.34 H new ATOM 490 N PRO A 37 -7.625 34.335 -29.296 1.00 43.14 N ATOM 491 CA PRO A 37 -6.700 33.680 -28.367 1.00 22.03 C ATOM 492 C PRO A 37 -7.424 33.009 -27.205 1.00 12.24 C ATOM 493 O PRO A 37 -8.461 33.488 -26.747 1.00 51.03 O ATOM 494 CB PRO A 37 -5.830 34.833 -27.860 1.00 42.23 C ATOM 495 CG PRO A 37 -6.680 36.047 -28.018 1.00 63.54 C ATOM 496 CD PRO A 37 -7.526 35.803 -29.237 1.00 14.10 C ATOM 0 HA PRO A 37 -6.135 32.882 -28.849 1.00 22.03 H new ATOM 0 HB2 PRO A 37 -5.542 34.684 -26.819 1.00 42.23 H new ATOM 0 HB3 PRO A 37 -4.909 34.917 -28.436 1.00 42.23 H new ATOM 0 HG2 PRO A 37 -7.302 36.206 -27.137 1.00 63.54 H new ATOM 0 HG3 PRO A 37 -6.067 36.940 -28.141 1.00 63.54 H new ATOM 0 HD2 PRO A 37 -8.507 36.268 -29.145 1.00 14.10 H new ATOM 0 HD3 PRO A 37 -7.063 36.211 -30.136 1.00 14.10 H new ATOM 504 N GLY A 38 -6.871 31.897 -26.731 1.00 5.14 N ATOM 505 CA GLY A 38 -7.478 31.179 -25.625 1.00 62.13 C ATOM 506 C GLY A 38 -8.950 30.899 -25.855 1.00 23.03 C ATOM 507 O GLY A 38 -9.752 30.947 -24.921 1.00 5.12 O ATOM 0 H GLY A 38 -6.013 31.480 -27.093 1.00 5.14 H new ATOM 0 HA2 GLY A 38 -6.951 30.237 -25.474 1.00 62.13 H new ATOM 0 HA3 GLY A 38 -7.360 31.760 -24.710 1.00 62.13 H new ATOM 511 N LEU A 39 -9.308 30.607 -27.100 1.00 44.12 N ATOM 512 CA LEU A 39 -10.694 30.320 -27.450 1.00 73.25 C ATOM 513 C LEU A 39 -11.062 28.885 -27.087 1.00 64.41 C ATOM 514 O LEU A 39 -12.191 28.605 -26.684 1.00 23.22 O ATOM 515 CB LEU A 39 -10.923 30.554 -28.945 1.00 24.12 C ATOM 516 CG LEU A 39 -10.422 29.454 -29.881 1.00 24.51 C ATOM 517 CD1 LEU A 39 -11.511 28.421 -30.122 1.00 34.42 C ATOM 518 CD2 LEU A 39 -9.948 30.049 -31.199 1.00 1.13 C ATOM 0 H LEU A 39 -8.657 30.563 -27.884 1.00 44.12 H new ATOM 0 HA LEU A 39 -11.333 30.995 -26.881 1.00 73.25 H new ATOM 0 HB2 LEU A 39 -11.992 30.686 -29.112 1.00 24.12 H new ATOM 0 HB3 LEU A 39 -10.438 31.490 -29.224 1.00 24.12 H new ATOM 0 HG LEU A 39 -9.577 28.957 -29.405 1.00 24.51 H new ATOM 0 HD11 LEU A 39 -11.136 27.646 -30.790 1.00 34.42 H new ATOM 0 HD12 LEU A 39 -11.803 27.971 -29.173 1.00 34.42 H new ATOM 0 HD13 LEU A 39 -12.376 28.904 -30.576 1.00 34.42 H new ATOM 0 HD21 LEU A 39 -9.595 29.251 -31.852 1.00 1.13 H new ATOM 0 HD22 LEU A 39 -10.774 30.573 -31.680 1.00 1.13 H new ATOM 0 HD23 LEU A 39 -9.135 30.750 -31.010 1.00 1.13 H new ATOM 530 N PHE A 40 -10.100 27.979 -27.231 1.00 21.23 N ATOM 531 CA PHE A 40 -10.322 26.572 -26.916 1.00 44.15 C ATOM 532 C PHE A 40 -10.232 26.330 -25.413 1.00 13.25 C ATOM 533 O PHE A 40 -9.801 27.202 -24.657 1.00 65.55 O ATOM 534 CB PHE A 40 -9.300 25.697 -27.647 1.00 12.54 C ATOM 535 CG PHE A 40 -9.881 24.422 -28.186 1.00 64.42 C ATOM 536 CD1 PHE A 40 -10.869 24.451 -29.157 1.00 31.43 C ATOM 537 CD2 PHE A 40 -9.438 23.193 -27.723 1.00 11.14 C ATOM 538 CE1 PHE A 40 -11.405 23.278 -29.656 1.00 11.32 C ATOM 539 CE2 PHE A 40 -9.970 22.018 -28.218 1.00 60.31 C ATOM 540 CZ PHE A 40 -10.956 22.060 -29.185 1.00 5.30 C ATOM 0 H PHE A 40 -9.160 28.194 -27.564 1.00 21.23 H new ATOM 0 HA PHE A 40 -11.325 26.305 -27.249 1.00 44.15 H new ATOM 0 HB2 PHE A 40 -8.868 26.267 -28.470 1.00 12.54 H new ATOM 0 HB3 PHE A 40 -8.485 25.456 -26.964 1.00 12.54 H new ATOM 0 HD1 PHE A 40 -11.225 25.401 -29.528 1.00 31.43 H new ATOM 0 HD2 PHE A 40 -8.668 23.153 -26.967 1.00 11.14 H new ATOM 0 HE1 PHE A 40 -12.174 23.314 -30.413 1.00 11.32 H new ATOM 0 HE2 PHE A 40 -9.615 21.067 -27.849 1.00 60.31 H new ATOM 0 HZ PHE A 40 -11.375 21.142 -29.572 1.00 5.30 H new ATOM 550 N ARG A 41 -10.644 25.141 -24.985 1.00 53.20 N ATOM 551 CA ARG A 41 -10.613 24.785 -23.572 1.00 30.52 C ATOM 552 C ARG A 41 -9.176 24.693 -23.066 1.00 34.11 C ATOM 553 O ARG A 41 -8.229 24.979 -23.799 1.00 32.10 O ATOM 554 CB ARG A 41 -11.331 23.453 -23.344 1.00 12.11 C ATOM 555 CG ARG A 41 -10.875 22.347 -24.281 1.00 72.13 C ATOM 556 CD ARG A 41 -10.654 21.040 -23.535 1.00 55.42 C ATOM 557 NE ARG A 41 -10.247 19.961 -24.431 1.00 4.05 N ATOM 558 CZ ARG A 41 -9.053 19.898 -25.009 1.00 43.15 C ATOM 559 NH1 ARG A 41 -8.154 20.847 -24.788 1.00 2.13 N ATOM 560 NH2 ARG A 41 -8.756 18.884 -25.812 1.00 23.21 N ATOM 0 H ARG A 41 -11.003 24.408 -25.597 1.00 53.20 H new ATOM 0 HA ARG A 41 -11.127 25.568 -23.014 1.00 30.52 H new ATOM 0 HB2 ARG A 41 -11.170 23.135 -22.314 1.00 12.11 H new ATOM 0 HB3 ARG A 41 -12.404 23.602 -23.467 1.00 12.11 H new ATOM 0 HG2 ARG A 41 -11.621 22.200 -25.062 1.00 72.13 H new ATOM 0 HG3 ARG A 41 -9.951 22.646 -24.775 1.00 72.13 H new ATOM 0 HD2 ARG A 41 -9.891 21.184 -22.770 1.00 55.42 H new ATOM 0 HD3 ARG A 41 -11.572 20.757 -23.020 1.00 55.42 H new ATOM 0 HE ARG A 41 -10.916 19.215 -24.623 1.00 4.05 H new ATOM 0 HH11 ARG A 41 -8.378 21.629 -24.172 1.00 2.13 H new ATOM 0 HH12 ARG A 41 -7.238 20.795 -25.234 1.00 2.13 H new ATOM 0 HH21 ARG A 41 -9.445 18.152 -25.986 1.00 23.21 H new ATOM 0 HH22 ARG A 41 -7.839 18.836 -26.256 1.00 23.21 H new ATOM 574 N CYS A 42 -9.022 24.293 -21.808 1.00 62.32 N ATOM 575 CA CYS A 42 -7.702 24.164 -21.203 1.00 1.01 C ATOM 576 C CYS A 42 -7.229 22.713 -21.232 1.00 13.33 C ATOM 577 O CYS A 42 -7.974 21.813 -21.620 1.00 74.12 O ATOM 578 CB CYS A 42 -7.727 24.675 -19.761 1.00 41.10 C ATOM 579 SG CYS A 42 -8.062 26.459 -19.610 1.00 44.54 S ATOM 0 H CYS A 42 -9.795 24.053 -21.188 1.00 62.32 H new ATOM 0 HA CYS A 42 -7.003 24.767 -21.783 1.00 1.01 H new ATOM 0 HB2 CYS A 42 -8.487 24.125 -19.205 1.00 41.10 H new ATOM 0 HB3 CYS A 42 -6.768 24.455 -19.292 1.00 41.10 H new ATOM 584 N THR A 43 -5.985 22.493 -20.817 1.00 53.55 N ATOM 585 CA THR A 43 -5.412 21.154 -20.796 1.00 73.43 C ATOM 586 C THR A 43 -4.563 20.939 -19.549 1.00 21.41 C ATOM 587 O THR A 43 -3.872 21.849 -19.091 1.00 42.23 O ATOM 588 CB THR A 43 -4.547 20.893 -22.044 1.00 33.22 C ATOM 589 OG1 THR A 43 -3.540 21.904 -22.162 1.00 31.33 O ATOM 590 CG2 THR A 43 -5.403 20.873 -23.301 1.00 52.43 C ATOM 0 H THR A 43 -5.355 23.226 -20.491 1.00 53.55 H new ATOM 0 HA THR A 43 -6.247 20.453 -20.789 1.00 73.43 H new ATOM 0 HB THR A 43 -4.071 19.919 -21.932 1.00 33.22 H new ATOM 0 HG1 THR A 43 -2.993 21.730 -22.957 1.00 31.33 H new ATOM 0 HG21 THR A 43 -4.770 20.687 -24.169 1.00 52.43 H new ATOM 0 HG22 THR A 43 -6.150 20.083 -23.220 1.00 52.43 H new ATOM 0 HG23 THR A 43 -5.903 21.835 -23.416 1.00 52.43 H new ATOM 598 N CYS A 44 -4.618 19.728 -19.003 1.00 1.53 N ATOM 599 CA CYS A 44 -3.853 19.393 -17.808 1.00 33.23 C ATOM 600 C CYS A 44 -2.404 19.072 -18.162 1.00 20.25 C ATOM 601 O CYS A 44 -2.132 18.138 -18.915 1.00 64.21 O ATOM 602 CB CYS A 44 -4.490 18.202 -17.087 1.00 45.53 C ATOM 603 SG CYS A 44 -5.126 18.593 -15.425 1.00 63.45 S ATOM 0 H CYS A 44 -5.184 18.963 -19.369 1.00 1.53 H new ATOM 0 HA CYS A 44 -3.863 20.258 -17.145 1.00 33.23 H new ATOM 0 HB2 CYS A 44 -5.308 17.817 -17.696 1.00 45.53 H new ATOM 0 HB3 CYS A 44 -3.752 17.404 -17.004 1.00 45.53 H new ATOM 608 N GLN A 45 -1.480 19.853 -17.612 1.00 24.31 N ATOM 609 CA GLN A 45 -0.059 19.652 -17.870 1.00 24.41 C ATOM 610 C GLN A 45 0.749 19.755 -16.580 1.00 52.02 C ATOM 611 O GLN A 45 0.217 20.115 -15.530 1.00 21.22 O ATOM 612 CB GLN A 45 0.447 20.677 -18.886 1.00 10.42 C ATOM 613 CG GLN A 45 -0.150 20.505 -20.273 1.00 71.01 C ATOM 614 CD GLN A 45 0.229 19.183 -20.911 1.00 51.35 C ATOM 615 OE1 GLN A 45 1.277 18.612 -20.609 1.00 10.34 O ATOM 616 NE2 GLN A 45 -0.624 18.689 -21.801 1.00 32.10 N ATOM 0 H GLN A 45 -1.690 20.630 -16.985 1.00 24.31 H new ATOM 0 HA GLN A 45 0.071 18.650 -18.280 1.00 24.41 H new ATOM 0 HB2 GLN A 45 0.219 21.679 -18.523 1.00 10.42 H new ATOM 0 HB3 GLN A 45 1.532 20.603 -18.955 1.00 10.42 H new ATOM 0 HG2 GLN A 45 -1.236 20.575 -20.208 1.00 71.01 H new ATOM 0 HG3 GLN A 45 0.185 21.322 -20.912 1.00 71.01 H new ATOM 0 HE21 GLN A 45 -1.481 19.196 -22.021 1.00 32.10 H new ATOM 0 HE22 GLN A 45 -0.422 17.803 -22.264 1.00 32.10 H new ATOM 625 N VAL A 46 2.037 19.437 -16.667 1.00 35.31 N ATOM 626 CA VAL A 46 2.918 19.494 -15.507 1.00 1.40 C ATOM 627 C VAL A 46 3.000 20.911 -14.949 1.00 61.21 C ATOM 628 O VAL A 46 2.806 21.888 -15.673 1.00 13.01 O ATOM 629 CB VAL A 46 4.337 19.009 -15.856 1.00 65.10 C ATOM 630 CG1 VAL A 46 5.169 18.838 -14.594 1.00 1.31 C ATOM 631 CG2 VAL A 46 4.277 17.709 -16.644 1.00 53.11 C ATOM 0 H VAL A 46 2.493 19.137 -17.529 1.00 35.31 H new ATOM 0 HA VAL A 46 2.492 18.833 -14.752 1.00 1.40 H new ATOM 0 HB VAL A 46 4.816 19.764 -16.479 1.00 65.10 H new ATOM 0 HG11 VAL A 46 6.169 18.495 -14.861 1.00 1.31 H new ATOM 0 HG12 VAL A 46 5.240 19.793 -14.073 1.00 1.31 H new ATOM 0 HG13 VAL A 46 4.695 18.104 -13.943 1.00 1.31 H new ATOM 0 HG21 VAL A 46 5.289 17.381 -16.882 1.00 53.11 H new ATOM 0 HG22 VAL A 46 3.779 16.945 -16.048 1.00 53.11 H new ATOM 0 HG23 VAL A 46 3.721 17.869 -17.568 1.00 53.11 H new ATOM 641 N THR A 47 3.290 21.016 -13.656 1.00 22.21 N ATOM 642 CA THR A 47 3.398 22.313 -13.000 1.00 33.45 C ATOM 643 C THR A 47 4.637 23.065 -13.469 1.00 4.40 C ATOM 644 O THR A 47 5.754 22.763 -13.048 1.00 54.54 O ATOM 645 CB THR A 47 3.451 22.164 -11.467 1.00 53.13 C ATOM 646 OG1 THR A 47 2.254 21.535 -10.994 1.00 44.24 O ATOM 647 CG2 THR A 47 3.616 23.520 -10.798 1.00 33.04 C ATOM 0 H THR A 47 3.454 20.218 -13.042 1.00 22.21 H new ATOM 0 HA THR A 47 2.508 22.880 -13.272 1.00 33.45 H new ATOM 0 HB THR A 47 4.311 21.544 -11.213 1.00 53.13 H new ATOM 0 HG1 THR A 47 1.644 22.216 -10.641 1.00 44.24 H new ATOM 0 HG21 THR A 47 3.651 23.390 -9.716 1.00 33.04 H new ATOM 0 HG22 THR A 47 4.542 23.983 -11.138 1.00 33.04 H new ATOM 0 HG23 THR A 47 2.773 24.160 -11.060 1.00 33.04 H new ATOM 655 N GLU A 48 4.433 24.047 -14.342 1.00 70.32 N ATOM 656 CA GLU A 48 5.536 24.842 -14.868 1.00 40.22 C ATOM 657 C GLU A 48 5.411 26.300 -14.433 1.00 64.34 C ATOM 658 O GLU A 48 6.389 26.919 -14.013 1.00 34.23 O ATOM 659 CB GLU A 48 5.574 24.756 -16.395 1.00 73.44 C ATOM 660 CG GLU A 48 4.214 24.935 -17.049 1.00 33.41 C ATOM 661 CD GLU A 48 4.267 24.785 -18.557 1.00 10.10 C ATOM 662 OE1 GLU A 48 4.594 23.678 -19.033 1.00 34.11 O ATOM 663 OE2 GLU A 48 3.981 25.776 -19.261 1.00 44.32 O ATOM 0 H GLU A 48 3.515 24.311 -14.699 1.00 70.32 H new ATOM 0 HA GLU A 48 6.465 24.438 -14.466 1.00 40.22 H new ATOM 0 HB2 GLU A 48 6.254 25.517 -16.777 1.00 73.44 H new ATOM 0 HB3 GLU A 48 5.983 23.788 -16.686 1.00 73.44 H new ATOM 0 HG2 GLU A 48 3.519 24.202 -16.639 1.00 33.41 H new ATOM 0 HG3 GLU A 48 3.822 25.921 -16.799 1.00 33.41 H new ATOM 670 N SER A 49 4.202 26.841 -14.539 1.00 42.20 N ATOM 671 CA SER A 49 3.950 28.227 -14.161 1.00 75.14 C ATOM 672 C SER A 49 4.154 28.427 -12.663 1.00 3.51 C ATOM 673 O SER A 49 4.677 27.551 -11.974 1.00 3.41 O ATOM 674 CB SER A 49 2.527 28.633 -14.552 1.00 62.11 C ATOM 675 OG SER A 49 1.905 27.626 -15.331 1.00 31.43 O ATOM 0 H SER A 49 3.382 26.342 -14.883 1.00 42.20 H new ATOM 0 HA SER A 49 4.661 28.859 -14.694 1.00 75.14 H new ATOM 0 HB2 SER A 49 1.938 28.818 -13.653 1.00 62.11 H new ATOM 0 HB3 SER A 49 2.553 29.567 -15.113 1.00 62.11 H new ATOM 0 HG SER A 49 0.997 27.909 -15.566 1.00 31.43 H new ATOM 681 N ASP A 50 3.738 29.587 -12.166 1.00 24.15 N ATOM 682 CA ASP A 50 3.875 29.904 -10.749 1.00 34.14 C ATOM 683 C ASP A 50 2.612 29.523 -9.983 1.00 34.54 C ATOM 684 O ASP A 50 2.154 30.262 -9.111 1.00 54.03 O ATOM 685 CB ASP A 50 4.168 31.394 -10.563 1.00 61.53 C ATOM 686 CG ASP A 50 5.435 31.827 -11.275 1.00 34.11 C ATOM 687 OD1 ASP A 50 6.427 31.070 -11.234 1.00 63.11 O ATOM 688 OD2 ASP A 50 5.433 32.923 -11.873 1.00 70.35 O ATOM 0 H ASP A 50 3.303 30.323 -12.723 1.00 24.15 H new ATOM 0 HA ASP A 50 4.709 29.325 -10.352 1.00 34.14 H new ATOM 0 HB2 ASP A 50 3.327 31.977 -10.938 1.00 61.53 H new ATOM 0 HB3 ASP A 50 4.259 31.614 -9.499 1.00 61.53 H new ATOM 693 N LYS A 51 2.052 28.364 -10.314 1.00 61.10 N ATOM 694 CA LYS A 51 0.842 27.883 -9.658 1.00 70.32 C ATOM 695 C LYS A 51 0.807 26.358 -9.631 1.00 5.02 C ATOM 696 O LYS A 51 0.970 25.705 -10.661 1.00 62.35 O ATOM 697 CB LYS A 51 -0.399 28.419 -10.376 1.00 31.44 C ATOM 698 CG LYS A 51 -0.571 29.923 -10.253 1.00 23.24 C ATOM 699 CD LYS A 51 -0.819 30.340 -8.813 1.00 35.32 C ATOM 700 CE LYS A 51 -1.043 31.840 -8.698 1.00 34.34 C ATOM 701 NZ LYS A 51 -0.596 32.368 -7.379 1.00 34.31 N ATOM 0 H LYS A 51 2.417 27.740 -11.033 1.00 61.10 H new ATOM 0 HA LYS A 51 0.846 28.247 -8.631 1.00 70.32 H new ATOM 0 HB2 LYS A 51 -0.341 28.154 -11.432 1.00 31.44 H new ATOM 0 HB3 LYS A 51 -1.283 27.926 -9.972 1.00 31.44 H new ATOM 0 HG2 LYS A 51 0.321 30.424 -10.629 1.00 23.24 H new ATOM 0 HG3 LYS A 51 -1.405 30.247 -10.875 1.00 23.24 H new ATOM 0 HD2 LYS A 51 -1.689 29.810 -8.424 1.00 35.32 H new ATOM 0 HD3 LYS A 51 0.032 30.050 -8.197 1.00 35.32 H new ATOM 0 HE2 LYS A 51 -0.503 32.350 -9.495 1.00 34.34 H new ATOM 0 HE3 LYS A 51 -2.101 32.061 -8.838 1.00 34.34 H new ATOM 0 HZ1 LYS A 51 -0.765 33.393 -7.340 1.00 34.31 H new ATOM 0 HZ2 LYS A 51 -1.129 31.900 -6.619 1.00 34.31 H new ATOM 0 HZ3 LYS A 51 0.419 32.180 -7.256 1.00 34.31 H new ATOM 715 N VAL A 52 0.593 25.797 -8.445 1.00 62.40 N ATOM 716 CA VAL A 52 0.535 24.349 -8.284 1.00 73.31 C ATOM 717 C VAL A 52 -0.816 23.912 -7.727 1.00 25.10 C ATOM 718 O VAL A 52 -1.530 24.703 -7.112 1.00 62.42 O ATOM 719 CB VAL A 52 1.651 23.842 -7.351 1.00 53.13 C ATOM 720 CG1 VAL A 52 1.816 22.336 -7.485 1.00 33.12 C ATOM 721 CG2 VAL A 52 2.959 24.559 -7.649 1.00 23.52 C ATOM 0 H VAL A 52 0.457 26.323 -7.582 1.00 62.40 H new ATOM 0 HA VAL A 52 0.675 23.915 -9.274 1.00 73.31 H new ATOM 0 HB VAL A 52 1.369 24.062 -6.321 1.00 53.13 H new ATOM 0 HG11 VAL A 52 2.609 21.996 -6.818 1.00 33.12 H new ATOM 0 HG12 VAL A 52 0.881 21.842 -7.219 1.00 33.12 H new ATOM 0 HG13 VAL A 52 2.076 22.089 -8.514 1.00 33.12 H new ATOM 0 HG21 VAL A 52 3.737 24.189 -6.981 1.00 23.52 H new ATOM 0 HG22 VAL A 52 3.249 24.372 -8.683 1.00 23.52 H new ATOM 0 HG23 VAL A 52 2.829 25.631 -7.497 1.00 23.52 H new ATOM 731 N ASN A 53 -1.159 22.647 -7.946 1.00 63.33 N ATOM 732 CA ASN A 53 -2.424 22.104 -7.466 1.00 72.20 C ATOM 733 C ASN A 53 -2.582 22.337 -5.967 1.00 21.25 C ATOM 734 O ASN A 53 -1.605 22.580 -5.258 1.00 44.23 O ATOM 735 CB ASN A 53 -2.510 20.607 -7.773 1.00 12.32 C ATOM 736 CG ASN A 53 -3.936 20.145 -8.001 1.00 34.10 C ATOM 737 OD1 ASN A 53 -4.885 20.905 -7.808 1.00 35.23 O ATOM 738 ND2 ASN A 53 -4.093 18.893 -8.414 1.00 72.32 N ATOM 0 H ASN A 53 -0.578 21.979 -8.453 1.00 63.33 H new ATOM 0 HA ASN A 53 -3.232 22.621 -7.983 1.00 72.20 H new ATOM 0 HB2 ASN A 53 -1.913 20.385 -8.658 1.00 12.32 H new ATOM 0 HB3 ASN A 53 -2.076 20.044 -6.947 1.00 12.32 H new ATOM 0 HD21 ASN A 53 -5.029 18.526 -8.584 1.00 72.32 H new ATOM 0 HD22 ASN A 53 -3.277 18.298 -8.561 1.00 72.32 H new ATOM 745 N LYS A 54 -3.819 22.260 -5.488 1.00 72.14 N ATOM 746 CA LYS A 54 -4.107 22.460 -4.073 1.00 41.10 C ATOM 747 C LYS A 54 -4.476 21.142 -3.401 1.00 20.50 C ATOM 748 O LYS A 54 -4.857 21.115 -2.230 1.00 61.13 O ATOM 749 CB LYS A 54 -5.245 23.469 -3.900 1.00 62.25 C ATOM 750 CG LYS A 54 -6.523 23.073 -4.619 1.00 62.14 C ATOM 751 CD LYS A 54 -7.386 22.163 -3.762 1.00 20.31 C ATOM 752 CE LYS A 54 -7.646 20.831 -4.449 1.00 65.21 C ATOM 753 NZ LYS A 54 -8.814 20.121 -3.859 1.00 23.50 N ATOM 0 H LYS A 54 -4.639 22.060 -6.060 1.00 72.14 H new ATOM 0 HA LYS A 54 -3.208 22.851 -3.597 1.00 41.10 H new ATOM 0 HB2 LYS A 54 -5.457 23.586 -2.837 1.00 62.25 H new ATOM 0 HB3 LYS A 54 -4.917 24.441 -4.268 1.00 62.25 H new ATOM 0 HG2 LYS A 54 -7.086 23.969 -4.882 1.00 62.14 H new ATOM 0 HG3 LYS A 54 -6.275 22.567 -5.552 1.00 62.14 H new ATOM 0 HD2 LYS A 54 -6.895 21.990 -2.805 1.00 20.31 H new ATOM 0 HD3 LYS A 54 -8.335 22.655 -3.549 1.00 20.31 H new ATOM 0 HE2 LYS A 54 -7.822 20.999 -5.512 1.00 65.21 H new ATOM 0 HE3 LYS A 54 -6.760 20.202 -4.368 1.00 65.21 H new ATOM 0 HZ1 LYS A 54 -8.663 19.094 -3.919 1.00 23.50 H new ATOM 0 HZ2 LYS A 54 -8.921 20.397 -2.862 1.00 23.50 H new ATOM 0 HZ3 LYS A 54 -9.676 20.375 -4.383 1.00 23.50 H new ATOM 767 N CYS A 55 -4.359 20.049 -4.148 1.00 74.12 N ATOM 768 CA CYS A 55 -4.680 18.726 -3.625 1.00 44.30 C ATOM 769 C CYS A 55 -3.472 18.112 -2.923 1.00 61.13 C ATOM 770 O CYS A 55 -2.324 18.477 -3.176 1.00 4.44 O ATOM 771 CB CYS A 55 -5.149 17.808 -4.755 1.00 64.31 C ATOM 772 SG CYS A 55 -6.937 17.459 -4.736 1.00 45.14 S ATOM 0 H CYS A 55 -4.044 20.053 -5.118 1.00 74.12 H new ATOM 0 HA CYS A 55 -5.485 18.835 -2.898 1.00 44.30 H new ATOM 0 HB2 CYS A 55 -4.889 18.264 -5.710 1.00 64.31 H new ATOM 0 HB3 CYS A 55 -4.605 16.866 -4.693 1.00 64.31 H new ATOM 777 N PRO A 56 -3.735 17.155 -2.021 1.00 15.43 N ATOM 778 CA PRO A 56 -2.684 16.469 -1.264 1.00 42.15 C ATOM 779 C PRO A 56 -1.846 15.546 -2.143 1.00 52.21 C ATOM 780 O PRO A 56 -2.196 15.251 -3.286 1.00 51.51 O ATOM 781 CB PRO A 56 -3.465 15.657 -0.228 1.00 4.31 C ATOM 782 CG PRO A 56 -4.804 15.443 -0.845 1.00 4.12 C ATOM 783 CD PRO A 56 -5.081 16.670 -1.669 1.00 65.35 C ATOM 0 HA PRO A 56 -1.972 17.170 -0.827 1.00 42.15 H new ATOM 0 HB2 PRO A 56 -2.972 14.709 -0.014 1.00 4.31 H new ATOM 0 HB3 PRO A 56 -3.546 16.194 0.717 1.00 4.31 H new ATOM 0 HG2 PRO A 56 -4.809 14.547 -1.466 1.00 4.12 H new ATOM 0 HG3 PRO A 56 -5.569 15.306 -0.080 1.00 4.12 H new ATOM 0 HD2 PRO A 56 -5.668 16.434 -2.557 1.00 65.35 H new ATOM 0 HD3 PRO A 56 -5.642 17.415 -1.105 1.00 65.35 H new ATOM 791 N PRO A 57 -0.713 15.078 -1.599 1.00 73.41 N ATOM 792 CA PRO A 57 0.197 14.180 -2.317 1.00 1.15 C ATOM 793 C PRO A 57 -0.397 12.790 -2.517 1.00 13.25 C ATOM 794 O PRO A 57 -1.521 12.519 -2.095 1.00 12.00 O ATOM 795 CB PRO A 57 1.422 14.111 -1.401 1.00 11.20 C ATOM 796 CG PRO A 57 0.896 14.415 -0.041 1.00 13.41 C ATOM 797 CD PRO A 57 -0.234 15.387 -0.242 1.00 1.43 C ATOM 0 HA PRO A 57 0.418 14.541 -3.321 1.00 1.15 H new ATOM 0 HB2 PRO A 57 1.886 13.125 -1.435 1.00 11.20 H new ATOM 0 HB3 PRO A 57 2.182 14.832 -1.702 1.00 11.20 H new ATOM 0 HG2 PRO A 57 0.548 13.509 0.454 1.00 13.41 H new ATOM 0 HG3 PRO A 57 1.673 14.845 0.591 1.00 13.41 H new ATOM 0 HD2 PRO A 57 -1.019 15.250 0.502 1.00 1.43 H new ATOM 0 HD3 PRO A 57 0.105 16.420 -0.161 1.00 1.43 H new ATOM 805 N ALA A 58 0.365 11.913 -3.162 1.00 14.03 N ATOM 806 CA ALA A 58 -0.086 10.550 -3.415 1.00 54.20 C ATOM 807 C ALA A 58 1.093 9.625 -3.694 1.00 30.43 C ATOM 808 O ALA A 58 2.004 9.974 -4.444 1.00 15.10 O ATOM 809 CB ALA A 58 -1.065 10.526 -4.579 1.00 54.14 C ATOM 0 H ALA A 58 1.297 12.122 -3.519 1.00 14.03 H new ATOM 0 HA ALA A 58 -0.593 10.189 -2.520 1.00 54.20 H new ATOM 0 HB1 ALA A 58 -1.394 9.502 -4.757 1.00 54.14 H new ATOM 0 HB2 ALA A 58 -1.928 11.148 -4.341 1.00 54.14 H new ATOM 0 HB3 ALA A 58 -0.576 10.911 -5.474 1.00 54.14 H new ATOM 815 N GLU A 59 1.069 8.444 -3.084 1.00 64.50 N ATOM 816 CA GLU A 59 2.139 7.469 -3.266 1.00 73.05 C ATOM 817 C GLU A 59 1.571 6.060 -3.416 1.00 42.44 C ATOM 818 O GLU A 59 0.446 5.880 -3.880 1.00 13.42 O ATOM 819 CB GLU A 59 3.109 7.517 -2.085 1.00 24.54 C ATOM 820 CG GLU A 59 4.333 8.381 -2.337 1.00 23.14 C ATOM 821 CD GLU A 59 4.316 9.666 -1.532 1.00 33.02 C ATOM 822 OE1 GLU A 59 3.371 10.463 -1.707 1.00 0.51 O ATOM 823 OE2 GLU A 59 5.247 9.874 -0.726 1.00 63.53 O ATOM 0 H GLU A 59 0.322 8.139 -2.460 1.00 64.50 H new ATOM 0 HA GLU A 59 2.677 7.724 -4.179 1.00 73.05 H new ATOM 0 HB2 GLU A 59 2.582 7.895 -1.208 1.00 24.54 H new ATOM 0 HB3 GLU A 59 3.433 6.503 -1.850 1.00 24.54 H new ATOM 0 HG2 GLU A 59 5.230 7.814 -2.090 1.00 23.14 H new ATOM 0 HG3 GLU A 59 4.390 8.622 -3.398 1.00 23.14 H new