USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 373 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 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 30:sc= -0.0307 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.313 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0864 USER MOD Single : A 46 GLN : amide:sc= -0.801 K(o=-0.8,f=-3.5!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.938 K(o=0.94,f=-7.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 58 GLN : amide:sc= -0.545 K(o=-0.54,f=-2.9!) USER MOD Single : A 61 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.18) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 19 4.149 0.194 -1.087 1.00 64.55 N ATOM 2 CA MET A 19 3.432 0.520 -2.314 1.00 51.43 C ATOM 3 C MET A 19 2.805 -0.728 -2.926 1.00 74.13 C ATOM 4 O MET A 19 3.130 -1.850 -2.542 1.00 22.33 O ATOM 5 CB MET A 19 4.376 1.178 -3.323 1.00 30.22 C ATOM 6 CG MET A 19 4.473 2.687 -3.170 1.00 40.01 C ATOM 7 SD MET A 19 5.368 3.179 -1.684 1.00 35.43 S ATOM 8 CE MET A 19 6.036 4.759 -2.198 1.00 30.21 C ATOM 0 HA MET A 19 2.635 1.220 -2.064 1.00 51.43 H new ATOM 0 HB2 MET A 19 5.370 0.745 -3.213 1.00 30.22 H new ATOM 0 HB3 MET A 19 4.036 0.944 -4.332 1.00 30.22 H new ATOM 0 HG2 MET A 19 4.971 3.106 -4.045 1.00 40.01 H new ATOM 0 HG3 MET A 19 3.469 3.111 -3.142 1.00 40.01 H new ATOM 0 HE1 MET A 19 6.617 5.191 -1.383 1.00 30.21 H new ATOM 0 HE2 MET A 19 6.679 4.617 -3.067 1.00 30.21 H new ATOM 0 HE3 MET A 19 5.219 5.432 -2.457 1.00 30.21 H new ATOM 18 N GLY A 20 1.902 -0.524 -3.882 1.00 23.44 N ATOM 19 CA GLY A 20 1.244 -1.643 -4.531 1.00 13.14 C ATOM 20 C GLY A 20 -0.074 -1.249 -5.168 1.00 71.40 C ATOM 21 O GLY A 20 -0.406 -0.066 -5.246 1.00 21.13 O ATOM 0 H GLY A 20 1.615 0.395 -4.218 1.00 23.44 H new ATOM 0 HA2 GLY A 20 1.904 -2.056 -5.294 1.00 13.14 H new ATOM 0 HA3 GLY A 20 1.069 -2.432 -3.800 1.00 13.14 H new ATOM 25 N CYS A 21 -0.827 -2.243 -5.627 1.00 73.03 N ATOM 26 CA CYS A 21 -2.116 -1.996 -6.264 1.00 5.44 C ATOM 27 C CYS A 21 -3.213 -2.832 -5.612 1.00 54.14 C ATOM 28 O CYS A 21 -2.938 -3.836 -4.955 1.00 62.20 O ATOM 29 CB CYS A 21 -2.038 -2.311 -7.759 1.00 13.33 C ATOM 30 SG CYS A 21 -1.407 -0.938 -8.776 1.00 40.13 S ATOM 0 H CYS A 21 -0.567 -3.228 -5.570 1.00 73.03 H new ATOM 0 HA CYS A 21 -2.362 -0.942 -6.135 1.00 5.44 H new ATOM 0 HB2 CYS A 21 -1.397 -3.180 -7.903 1.00 13.33 H new ATOM 0 HB3 CYS A 21 -3.031 -2.585 -8.114 1.00 13.33 H new ATOM 35 N THR A 22 -4.460 -2.411 -5.800 1.00 14.32 N ATOM 36 CA THR A 22 -5.600 -3.119 -5.231 1.00 0.01 C ATOM 37 C THR A 22 -6.533 -3.627 -6.324 1.00 14.41 C ATOM 38 O THR A 22 -6.773 -2.940 -7.317 1.00 52.23 O ATOM 39 CB THR A 22 -6.397 -2.219 -4.268 1.00 51.10 C ATOM 40 OG1 THR A 22 -6.495 -0.894 -4.803 1.00 62.44 O ATOM 41 CG2 THR A 22 -5.735 -2.171 -2.899 1.00 40.53 C ATOM 0 H THR A 22 -4.706 -1.583 -6.342 1.00 14.32 H new ATOM 0 HA THR A 22 -5.200 -3.967 -4.676 1.00 0.01 H new ATOM 0 HB THR A 22 -7.396 -2.640 -4.156 1.00 51.10 H new ATOM 0 HG1 THR A 22 -7.005 -0.329 -4.186 1.00 62.44 H new ATOM 0 HG21 THR A 22 -6.316 -1.529 -2.236 1.00 40.53 H new ATOM 0 HG22 THR A 22 -5.689 -3.177 -2.482 1.00 40.53 H new ATOM 0 HG23 THR A 22 -4.725 -1.772 -2.997 1.00 40.53 H new ATOM 49 N TYR A 23 -7.058 -4.832 -6.134 1.00 61.25 N ATOM 50 CA TYR A 23 -7.964 -5.433 -7.106 1.00 14.51 C ATOM 51 C TYR A 23 -9.385 -5.503 -6.554 1.00 51.14 C ATOM 52 O TYR A 23 -9.590 -5.657 -5.350 1.00 32.22 O ATOM 53 CB TYR A 23 -7.483 -6.834 -7.486 1.00 40.31 C ATOM 54 CG TYR A 23 -8.463 -7.598 -8.347 1.00 34.24 C ATOM 55 CD1 TYR A 23 -8.489 -7.426 -9.725 1.00 52.31 C ATOM 56 CD2 TYR A 23 -9.365 -8.492 -7.781 1.00 45.04 C ATOM 57 CE1 TYR A 23 -9.384 -8.121 -10.515 1.00 63.35 C ATOM 58 CE2 TYR A 23 -10.261 -9.193 -8.564 1.00 54.10 C ATOM 59 CZ TYR A 23 -10.267 -9.004 -9.930 1.00 73.13 C ATOM 60 OH TYR A 23 -11.160 -9.699 -10.713 1.00 71.42 O ATOM 0 H TYR A 23 -6.872 -5.412 -5.316 1.00 61.25 H new ATOM 0 HA TYR A 23 -7.969 -4.805 -7.997 1.00 14.51 H new ATOM 0 HB2 TYR A 23 -6.534 -6.752 -8.016 1.00 40.31 H new ATOM 0 HB3 TYR A 23 -7.292 -7.403 -6.576 1.00 40.31 H new ATOM 0 HD1 TYR A 23 -7.797 -6.737 -10.187 1.00 52.31 H new ATOM 0 HD2 TYR A 23 -9.365 -8.641 -6.711 1.00 45.04 H new ATOM 0 HE1 TYR A 23 -9.392 -7.974 -11.585 1.00 63.35 H new ATOM 0 HE2 TYR A 23 -10.953 -9.886 -8.109 1.00 54.10 H new ATOM 0 HH TYR A 23 -10.772 -9.845 -11.601 1.00 71.42 H new ATOM 70 N THR A 24 -10.365 -5.389 -7.445 1.00 73.24 N ATOM 71 CA THR A 24 -11.767 -5.439 -7.050 1.00 72.21 C ATOM 72 C THR A 24 -12.400 -6.771 -7.436 1.00 72.04 C ATOM 73 O THR A 24 -12.663 -7.026 -8.612 1.00 52.00 O ATOM 74 CB THR A 24 -12.573 -4.295 -7.693 1.00 53.11 C ATOM 75 OG1 THR A 24 -11.968 -3.035 -7.382 1.00 54.35 O ATOM 76 CG2 THR A 24 -14.014 -4.306 -7.204 1.00 24.22 C ATOM 0 H THR A 24 -10.213 -5.261 -8.446 1.00 73.24 H new ATOM 0 HA THR A 24 -11.794 -5.328 -5.966 1.00 72.21 H new ATOM 0 HB THR A 24 -12.572 -4.442 -8.773 1.00 53.11 H new ATOM 0 HG1 THR A 24 -12.485 -2.313 -7.796 1.00 54.35 H new ATOM 0 HG21 THR A 24 -14.563 -3.489 -7.672 1.00 24.22 H new ATOM 0 HG22 THR A 24 -14.481 -5.255 -7.468 1.00 24.22 H new ATOM 0 HG23 THR A 24 -14.032 -4.182 -6.121 1.00 24.22 H new ATOM 84 N ILE A 25 -12.643 -7.616 -6.440 1.00 61.34 N ATOM 85 CA ILE A 25 -13.247 -8.922 -6.677 1.00 12.50 C ATOM 86 C ILE A 25 -14.754 -8.801 -6.881 1.00 45.05 C ATOM 87 O ILE A 25 -15.513 -8.687 -5.920 1.00 4.04 O ATOM 88 CB ILE A 25 -12.975 -9.888 -5.509 1.00 63.03 C ATOM 89 CG1 ILE A 25 -11.488 -9.879 -5.147 1.00 51.22 C ATOM 90 CG2 ILE A 25 -13.429 -11.295 -5.869 1.00 51.30 C ATOM 91 CD1 ILE A 25 -11.144 -10.781 -3.983 1.00 13.24 C ATOM 0 H ILE A 25 -12.431 -7.420 -5.462 1.00 61.34 H new ATOM 0 HA ILE A 25 -12.790 -9.322 -7.582 1.00 12.50 H new ATOM 0 HB ILE A 25 -13.543 -9.554 -4.641 1.00 63.03 H new ATOM 0 HG12 ILE A 25 -10.909 -10.186 -6.018 1.00 51.22 H new ATOM 0 HG13 ILE A 25 -11.187 -8.859 -4.907 1.00 51.22 H new ATOM 0 HG21 ILE A 25 -13.230 -11.966 -5.034 1.00 51.30 H new ATOM 0 HG22 ILE A 25 -14.498 -11.289 -6.083 1.00 51.30 H new ATOM 0 HG23 ILE A 25 -12.885 -11.639 -6.748 1.00 51.30 H new ATOM 0 HD11 ILE A 25 -10.074 -10.724 -3.783 1.00 13.24 H new ATOM 0 HD12 ILE A 25 -11.696 -10.461 -3.099 1.00 13.24 H new ATOM 0 HD13 ILE A 25 -11.413 -11.809 -4.227 1.00 13.24 H new ATOM 103 N GLN A 26 -15.178 -8.829 -8.141 1.00 13.25 N ATOM 104 CA GLN A 26 -16.595 -8.724 -8.471 1.00 3.21 C ATOM 105 C GLN A 26 -17.220 -10.105 -8.630 1.00 74.52 C ATOM 106 O GLN A 26 -16.530 -11.109 -8.809 1.00 34.44 O ATOM 107 CB GLN A 26 -16.782 -7.915 -9.756 1.00 3.14 C ATOM 108 CG GLN A 26 -15.935 -6.654 -9.809 1.00 40.41 C ATOM 109 CD GLN A 26 -16.272 -5.775 -10.997 1.00 43.45 C ATOM 110 OE1 GLN A 26 -16.813 -6.245 -11.999 1.00 1.24 O ATOM 111 NE2 GLN A 26 -15.953 -4.490 -10.893 1.00 43.21 N ATOM 0 H GLN A 26 -14.562 -8.923 -8.948 1.00 13.25 H new ATOM 0 HA GLN A 26 -17.097 -8.211 -7.651 1.00 3.21 H new ATOM 0 HB2 GLN A 26 -16.536 -8.545 -10.611 1.00 3.14 H new ATOM 0 HB3 GLN A 26 -17.833 -7.642 -9.854 1.00 3.14 H new ATOM 0 HG2 GLN A 26 -16.077 -6.086 -8.890 1.00 40.41 H new ATOM 0 HG3 GLN A 26 -14.881 -6.930 -9.853 1.00 40.41 H new ATOM 0 HE21 GLN A 26 -15.506 -4.143 -10.045 1.00 43.21 H new ATOM 0 HE22 GLN A 26 -16.155 -3.850 -11.661 1.00 43.21 H new ATOM 120 N PRO A 27 -18.559 -10.161 -8.564 1.00 41.43 N ATOM 121 CA PRO A 27 -19.307 -11.414 -8.699 1.00 52.11 C ATOM 122 C PRO A 27 -18.986 -12.144 -9.999 1.00 23.25 C ATOM 123 O PRO A 27 -19.309 -11.668 -11.086 1.00 5.21 O ATOM 124 CB PRO A 27 -20.768 -10.958 -8.690 1.00 13.54 C ATOM 125 CG PRO A 27 -20.749 -9.640 -7.995 1.00 40.30 C ATOM 126 CD PRO A 27 -19.445 -9.004 -8.354 1.00 11.52 C ATOM 0 HA PRO A 27 -19.062 -12.122 -7.907 1.00 52.11 H new ATOM 0 HB2 PRO A 27 -21.160 -10.866 -9.703 1.00 13.54 H new ATOM 0 HB3 PRO A 27 -21.403 -11.673 -8.166 1.00 13.54 H new ATOM 0 HG2 PRO A 27 -21.587 -9.019 -8.313 1.00 40.30 H new ATOM 0 HG3 PRO A 27 -20.838 -9.767 -6.916 1.00 40.30 H new ATOM 0 HD2 PRO A 27 -19.528 -8.391 -9.252 1.00 11.52 H new ATOM 0 HD3 PRO A 27 -19.080 -8.355 -7.558 1.00 11.52 H new ATOM 134 N GLY A 28 -18.348 -13.305 -9.878 1.00 4.51 N ATOM 135 CA GLY A 28 -17.994 -14.082 -11.051 1.00 44.22 C ATOM 136 C GLY A 28 -16.494 -14.230 -11.217 1.00 72.35 C ATOM 137 O GLY A 28 -16.027 -15.124 -11.924 1.00 3.31 O ATOM 0 H GLY A 28 -18.070 -13.721 -8.989 1.00 4.51 H new ATOM 0 HA2 GLY A 28 -18.448 -15.070 -10.979 1.00 44.22 H new ATOM 0 HA3 GLY A 28 -18.409 -13.604 -11.938 1.00 44.22 H new ATOM 141 N ASP A 29 -15.739 -13.352 -10.567 1.00 62.31 N ATOM 142 CA ASP A 29 -14.283 -13.389 -10.647 1.00 31.13 C ATOM 143 C ASP A 29 -13.707 -14.363 -9.623 1.00 54.22 C ATOM 144 O ASP A 29 -13.953 -14.237 -8.423 1.00 0.10 O ATOM 145 CB ASP A 29 -13.703 -11.992 -10.422 1.00 53.30 C ATOM 146 CG ASP A 29 -14.487 -10.916 -11.148 1.00 60.11 C ATOM 147 OD1 ASP A 29 -15.060 -11.218 -12.216 1.00 51.21 O ATOM 148 OD2 ASP A 29 -14.528 -9.773 -10.648 1.00 40.30 O ATOM 0 H ASP A 29 -16.110 -12.606 -9.979 1.00 62.31 H new ATOM 0 HA ASP A 29 -14.007 -13.732 -11.644 1.00 31.13 H new ATOM 0 HB2 ASP A 29 -13.694 -11.773 -9.354 1.00 53.30 H new ATOM 0 HB3 ASP A 29 -12.667 -11.973 -10.760 1.00 53.30 H new ATOM 153 N THR A 30 -12.940 -15.336 -10.106 1.00 12.45 N ATOM 154 CA THR A 30 -12.331 -16.332 -9.234 1.00 34.32 C ATOM 155 C THR A 30 -10.845 -16.056 -9.036 1.00 53.05 C ATOM 156 O THR A 30 -10.175 -15.541 -9.932 1.00 13.44 O ATOM 157 CB THR A 30 -12.507 -17.755 -9.798 1.00 40.32 C ATOM 158 OG1 THR A 30 -12.393 -17.733 -11.225 1.00 64.04 O ATOM 159 CG2 THR A 30 -13.858 -18.332 -9.401 1.00 45.53 C ATOM 0 H THR A 30 -12.726 -15.455 -11.096 1.00 12.45 H new ATOM 0 HA THR A 30 -12.841 -16.264 -8.273 1.00 34.32 H new ATOM 0 HB THR A 30 -11.723 -18.387 -9.380 1.00 40.32 H new ATOM 0 HG1 THR A 30 -12.504 -18.641 -11.576 1.00 64.04 H new ATOM 0 HG21 THR A 30 -13.959 -19.337 -9.811 1.00 45.53 H new ATOM 0 HG22 THR A 30 -13.930 -18.374 -8.314 1.00 45.53 H new ATOM 0 HG23 THR A 30 -14.654 -17.699 -9.793 1.00 45.53 H new ATOM 167 N PHE A 31 -10.335 -16.402 -7.859 1.00 60.34 N ATOM 168 CA PHE A 31 -8.927 -16.191 -7.545 1.00 22.13 C ATOM 169 C PHE A 31 -8.032 -16.785 -8.629 1.00 32.03 C ATOM 170 O PHE A 31 -7.220 -16.083 -9.232 1.00 34.03 O ATOM 171 CB PHE A 31 -8.586 -16.814 -6.189 1.00 54.40 C ATOM 172 CG PHE A 31 -8.755 -15.867 -5.035 1.00 54.13 C ATOM 173 CD1 PHE A 31 -7.755 -15.722 -4.088 1.00 65.32 C ATOM 174 CD2 PHE A 31 -9.916 -15.122 -4.898 1.00 4.05 C ATOM 175 CE1 PHE A 31 -7.907 -14.852 -3.025 1.00 43.34 C ATOM 176 CE2 PHE A 31 -10.073 -14.250 -3.837 1.00 52.43 C ATOM 177 CZ PHE A 31 -9.068 -14.115 -2.899 1.00 72.24 C ATOM 0 H PHE A 31 -10.876 -16.830 -7.107 1.00 60.34 H new ATOM 0 HA PHE A 31 -8.748 -15.117 -7.500 1.00 22.13 H new ATOM 0 HB2 PHE A 31 -9.220 -17.686 -6.029 1.00 54.40 H new ATOM 0 HB3 PHE A 31 -7.556 -17.169 -6.210 1.00 54.40 H new ATOM 0 HD1 PHE A 31 -6.845 -16.296 -4.181 1.00 65.32 H new ATOM 0 HD2 PHE A 31 -10.706 -15.224 -5.628 1.00 4.05 H new ATOM 0 HE1 PHE A 31 -7.119 -14.749 -2.294 1.00 43.34 H new ATOM 0 HE2 PHE A 31 -10.982 -13.674 -3.741 1.00 52.43 H new ATOM 0 HZ PHE A 31 -9.190 -13.435 -2.069 1.00 72.24 H new ATOM 187 N TRP A 32 -8.187 -18.082 -8.870 1.00 1.32 N ATOM 188 CA TRP A 32 -7.393 -18.771 -9.881 1.00 21.13 C ATOM 189 C TRP A 32 -7.463 -18.043 -11.218 1.00 54.42 C ATOM 190 O TRP A 32 -6.436 -17.730 -11.820 1.00 14.23 O ATOM 191 CB TRP A 32 -7.878 -20.212 -10.045 1.00 34.34 C ATOM 192 CG TRP A 32 -7.225 -20.933 -11.185 1.00 13.01 C ATOM 193 CD1 TRP A 32 -6.025 -21.584 -11.163 1.00 60.11 C ATOM 194 CD2 TRP A 32 -7.736 -21.074 -12.515 1.00 12.40 C ATOM 195 NE1 TRP A 32 -5.759 -22.121 -12.400 1.00 1.04 N ATOM 196 CE2 TRP A 32 -6.794 -21.823 -13.246 1.00 45.42 C ATOM 197 CE3 TRP A 32 -8.899 -20.642 -13.159 1.00 2.32 C ATOM 198 CZ2 TRP A 32 -6.979 -22.146 -14.588 1.00 34.14 C ATOM 199 CZ3 TRP A 32 -9.082 -20.963 -14.490 1.00 65.32 C ATOM 200 CH2 TRP A 32 -8.127 -21.710 -15.193 1.00 24.21 C ATOM 0 H TRP A 32 -8.855 -18.677 -8.380 1.00 1.32 H new ATOM 0 HA TRP A 32 -6.355 -18.780 -9.548 1.00 21.13 H new ATOM 0 HB2 TRP A 32 -7.687 -20.759 -9.122 1.00 34.34 H new ATOM 0 HB3 TRP A 32 -8.957 -20.209 -10.197 1.00 34.34 H new ATOM 0 HD1 TRP A 32 -5.380 -21.665 -10.301 1.00 60.11 H new ATOM 0 HE1 TRP A 32 -4.926 -22.655 -12.648 1.00 1.04 H new ATOM 0 HE3 TRP A 32 -9.641 -20.067 -12.625 1.00 2.32 H new ATOM 0 HZ2 TRP A 32 -6.243 -22.720 -15.132 1.00 34.14 H new ATOM 0 HZ3 TRP A 32 -9.976 -20.633 -14.998 1.00 65.32 H new ATOM 0 HH2 TRP A 32 -8.300 -21.946 -16.233 1.00 24.21 H new ATOM 211 N ALA A 33 -8.681 -17.775 -11.678 1.00 72.32 N ATOM 212 CA ALA A 33 -8.884 -17.081 -12.944 1.00 35.42 C ATOM 213 C ALA A 33 -8.129 -15.757 -12.971 1.00 52.02 C ATOM 214 O ALA A 33 -7.334 -15.504 -13.877 1.00 22.13 O ATOM 215 CB ALA A 33 -10.369 -16.850 -13.186 1.00 44.14 C ATOM 0 H ALA A 33 -9.542 -18.028 -11.193 1.00 72.32 H new ATOM 0 HA ALA A 33 -8.490 -17.710 -13.743 1.00 35.42 H new ATOM 0 HB1 ALA A 33 -10.507 -16.331 -14.135 1.00 44.14 H new ATOM 0 HB2 ALA A 33 -10.886 -17.809 -13.219 1.00 44.14 H new ATOM 0 HB3 ALA A 33 -10.779 -16.244 -12.378 1.00 44.14 H new ATOM 221 N ILE A 34 -8.384 -14.915 -11.975 1.00 25.40 N ATOM 222 CA ILE A 34 -7.727 -13.617 -11.886 1.00 23.33 C ATOM 223 C ILE A 34 -6.211 -13.771 -11.831 1.00 44.22 C ATOM 224 O ILE A 34 -5.471 -12.894 -12.277 1.00 13.44 O ATOM 225 CB ILE A 34 -8.197 -12.833 -10.647 1.00 2.53 C ATOM 226 CG1 ILE A 34 -9.712 -12.627 -10.691 1.00 34.32 C ATOM 227 CG2 ILE A 34 -7.478 -11.494 -10.563 1.00 62.41 C ATOM 228 CD1 ILE A 34 -10.317 -12.296 -9.344 1.00 43.23 C ATOM 0 H ILE A 34 -9.041 -15.108 -11.219 1.00 25.40 H new ATOM 0 HA ILE A 34 -8.001 -13.062 -12.783 1.00 23.33 H new ATOM 0 HB ILE A 34 -7.953 -13.411 -9.756 1.00 2.53 H new ATOM 0 HG12 ILE A 34 -9.941 -11.823 -11.390 1.00 34.32 H new ATOM 0 HG13 ILE A 34 -10.182 -13.531 -11.079 1.00 34.32 H new ATOM 0 HG21 ILE A 34 -7.821 -10.951 -9.682 1.00 62.41 H new ATOM 0 HG22 ILE A 34 -6.403 -11.662 -10.490 1.00 62.41 H new ATOM 0 HG23 ILE A 34 -7.694 -10.908 -11.457 1.00 62.41 H new ATOM 0 HD11 ILE A 34 -11.394 -12.163 -9.451 1.00 43.23 H new ATOM 0 HD12 ILE A 34 -10.119 -13.110 -8.646 1.00 43.23 H new ATOM 0 HD13 ILE A 34 -9.874 -11.376 -8.963 1.00 43.23 H new ATOM 240 N ALA A 35 -5.754 -14.892 -11.284 1.00 32.54 N ATOM 241 CA ALA A 35 -4.326 -15.163 -11.174 1.00 72.34 C ATOM 242 C ALA A 35 -3.707 -15.404 -12.547 1.00 24.42 C ATOM 243 O ALA A 35 -2.719 -14.768 -12.912 1.00 2.43 O ATOM 244 CB ALA A 35 -4.084 -16.360 -10.266 1.00 42.32 C ATOM 0 H ALA A 35 -6.353 -15.628 -10.910 1.00 32.54 H new ATOM 0 HA ALA A 35 -3.847 -14.287 -10.736 1.00 72.34 H new ATOM 0 HB1 ALA A 35 -3.013 -16.551 -10.193 1.00 42.32 H new ATOM 0 HB2 ALA A 35 -4.484 -16.151 -9.274 1.00 42.32 H new ATOM 0 HB3 ALA A 35 -4.581 -17.237 -10.680 1.00 42.32 H new ATOM 250 N GLN A 36 -4.293 -16.328 -13.302 1.00 11.23 N ATOM 251 CA GLN A 36 -3.797 -16.653 -14.634 1.00 25.25 C ATOM 252 C GLN A 36 -3.899 -15.448 -15.562 1.00 51.23 C ATOM 253 O GLN A 36 -3.144 -15.329 -16.527 1.00 63.41 O ATOM 254 CB GLN A 36 -4.578 -17.831 -15.219 1.00 11.34 C ATOM 255 CG GLN A 36 -4.604 -19.053 -14.315 1.00 42.01 C ATOM 256 CD GLN A 36 -3.263 -19.757 -14.247 1.00 41.13 C ATOM 257 OE1 GLN A 36 -2.811 -20.351 -15.226 1.00 63.52 O ATOM 258 NE2 GLN A 36 -2.618 -19.693 -13.088 1.00 74.20 N ATOM 0 H GLN A 36 -5.111 -16.864 -13.014 1.00 11.23 H new ATOM 0 HA GLN A 36 -2.747 -16.931 -14.545 1.00 25.25 H new ATOM 0 HB2 GLN A 36 -5.602 -17.514 -15.418 1.00 11.34 H new ATOM 0 HB3 GLN A 36 -4.138 -18.108 -16.177 1.00 11.34 H new ATOM 0 HG2 GLN A 36 -4.903 -18.751 -13.311 1.00 42.01 H new ATOM 0 HG3 GLN A 36 -5.359 -19.751 -14.676 1.00 42.01 H new ATOM 0 HE21 GLN A 36 -3.030 -19.190 -12.302 1.00 74.20 H new ATOM 0 HE22 GLN A 36 -1.711 -20.147 -12.984 1.00 74.20 H new ATOM 267 N ARG A 37 -4.838 -14.556 -15.265 1.00 14.03 N ATOM 268 CA ARG A 37 -5.041 -13.360 -16.074 1.00 63.41 C ATOM 269 C ARG A 37 -4.057 -12.263 -15.678 1.00 53.10 C ATOM 270 O ARG A 37 -3.185 -11.885 -16.461 1.00 32.24 O ATOM 271 CB ARG A 37 -6.476 -12.853 -15.923 1.00 1.13 C ATOM 272 CG ARG A 37 -7.446 -13.462 -16.922 1.00 20.44 C ATOM 273 CD ARG A 37 -8.880 -13.053 -16.626 1.00 53.54 C ATOM 274 NE ARG A 37 -9.790 -13.427 -17.706 1.00 43.42 N ATOM 275 CZ ARG A 37 -10.218 -14.667 -17.909 1.00 75.41 C ATOM 276 NH1 ARG A 37 -9.823 -15.648 -17.110 1.00 23.24 N ATOM 277 NH2 ARG A 37 -11.045 -14.929 -18.913 1.00 54.14 N ATOM 0 H ARG A 37 -5.471 -14.639 -14.469 1.00 14.03 H new ATOM 0 HA ARG A 37 -4.865 -13.623 -17.117 1.00 63.41 H new ATOM 0 HB2 ARG A 37 -6.824 -13.070 -14.913 1.00 1.13 H new ATOM 0 HB3 ARG A 37 -6.483 -11.769 -16.037 1.00 1.13 H new ATOM 0 HG2 ARG A 37 -7.177 -13.147 -17.930 1.00 20.44 H new ATOM 0 HG3 ARG A 37 -7.363 -14.549 -16.895 1.00 20.44 H new ATOM 0 HD2 ARG A 37 -9.207 -13.522 -15.698 1.00 53.54 H new ATOM 0 HD3 ARG A 37 -8.925 -11.975 -16.471 1.00 53.54 H new ATOM 0 HE ARG A 37 -10.114 -12.695 -18.339 1.00 43.42 H new ATOM 0 HH11 ARG A 37 -9.188 -15.451 -16.336 1.00 23.24 H new ATOM 0 HH12 ARG A 37 -10.154 -16.600 -17.269 1.00 23.24 H new ATOM 0 HH21 ARG A 37 -11.353 -14.177 -19.530 1.00 54.14 H new ATOM 0 HH22 ARG A 37 -11.373 -15.882 -19.068 1.00 54.14 H new ATOM 291 N ARG A 38 -4.205 -11.755 -14.459 1.00 20.13 N ATOM 292 CA ARG A 38 -3.331 -10.700 -13.960 1.00 33.14 C ATOM 293 C ARG A 38 -1.865 -11.103 -14.087 1.00 50.54 C ATOM 294 O ARG A 38 -0.991 -10.254 -14.259 1.00 24.33 O ATOM 295 CB ARG A 38 -3.659 -10.385 -12.499 1.00 35.30 C ATOM 296 CG ARG A 38 -5.050 -9.805 -12.298 1.00 61.15 C ATOM 297 CD ARG A 38 -5.174 -8.426 -12.926 1.00 43.44 C ATOM 298 NE ARG A 38 -4.190 -7.489 -12.389 1.00 70.42 N ATOM 299 CZ ARG A 38 -4.110 -6.216 -12.758 1.00 1.33 C ATOM 300 NH1 ARG A 38 -4.951 -5.729 -13.660 1.00 11.14 N ATOM 301 NH2 ARG A 38 -3.187 -5.426 -12.223 1.00 52.13 N ATOM 0 H ARG A 38 -4.922 -12.057 -13.799 1.00 20.13 H new ATOM 0 HA ARG A 38 -3.499 -9.808 -14.564 1.00 33.14 H new ATOM 0 HB2 ARG A 38 -3.566 -11.297 -11.910 1.00 35.30 H new ATOM 0 HB3 ARG A 38 -2.922 -9.681 -12.114 1.00 35.30 H new ATOM 0 HG2 ARG A 38 -5.791 -10.474 -12.736 1.00 61.15 H new ATOM 0 HG3 ARG A 38 -5.269 -9.742 -11.232 1.00 61.15 H new ATOM 0 HD2 ARG A 38 -5.046 -8.507 -14.005 1.00 43.44 H new ATOM 0 HD3 ARG A 38 -6.177 -8.037 -12.752 1.00 43.44 H new ATOM 0 HE ARG A 38 -3.528 -7.832 -11.692 1.00 70.42 H new ATOM 0 HH11 ARG A 38 -5.662 -6.333 -14.073 1.00 11.14 H new ATOM 0 HH12 ARG A 38 -4.887 -4.751 -13.941 1.00 11.14 H new ATOM 0 HH21 ARG A 38 -2.539 -5.797 -11.528 1.00 52.13 H new ATOM 0 HH22 ARG A 38 -3.126 -4.448 -12.507 1.00 52.13 H new ATOM 315 N GLY A 39 -1.604 -12.404 -14.002 1.00 40.40 N ATOM 316 CA GLY A 39 -0.243 -12.896 -14.109 1.00 40.44 C ATOM 317 C GLY A 39 0.367 -13.213 -12.759 1.00 3.44 C ATOM 318 O GLY A 39 1.587 -13.172 -12.594 1.00 62.54 O ATOM 0 H GLY A 39 -2.311 -13.126 -13.861 1.00 40.40 H new ATOM 0 HA2 GLY A 39 -0.232 -13.793 -14.729 1.00 40.44 H new ATOM 0 HA3 GLY A 39 0.371 -12.151 -14.615 1.00 40.44 H new ATOM 322 N THR A 40 -0.483 -13.528 -11.786 1.00 43.50 N ATOM 323 CA THR A 40 -0.021 -13.850 -10.442 1.00 2.42 C ATOM 324 C THR A 40 -0.451 -15.254 -10.035 1.00 24.34 C ATOM 325 O THR A 40 -1.255 -15.891 -10.716 1.00 21.32 O ATOM 326 CB THR A 40 -0.556 -12.841 -9.407 1.00 64.34 C ATOM 327 OG1 THR A 40 0.025 -13.101 -8.124 1.00 71.34 O ATOM 328 CG2 THR A 40 -2.072 -12.920 -9.309 1.00 4.40 C ATOM 0 H THR A 40 -1.495 -13.567 -11.904 1.00 43.50 H new ATOM 0 HA THR A 40 1.068 -13.797 -10.461 1.00 2.42 H new ATOM 0 HB THR A 40 -0.281 -11.838 -9.733 1.00 64.34 H new ATOM 0 HG1 THR A 40 -0.319 -12.455 -7.472 1.00 71.34 H new ATOM 0 HG21 THR A 40 -2.427 -12.199 -8.573 1.00 4.40 H new ATOM 0 HG22 THR A 40 -2.512 -12.693 -10.280 1.00 4.40 H new ATOM 0 HG23 THR A 40 -2.365 -13.925 -9.004 1.00 4.40 H new ATOM 336 N THR A 41 0.090 -15.733 -8.918 1.00 72.44 N ATOM 337 CA THR A 41 -0.238 -17.063 -8.420 1.00 65.44 C ATOM 338 C THR A 41 -1.208 -16.988 -7.247 1.00 44.10 C ATOM 339 O THR A 41 -1.128 -16.079 -6.420 1.00 22.40 O ATOM 340 CB THR A 41 1.027 -17.825 -7.979 1.00 15.35 C ATOM 341 OG1 THR A 41 1.979 -16.911 -7.423 1.00 23.40 O ATOM 342 CG2 THR A 41 1.650 -18.565 -9.152 1.00 45.21 C ATOM 0 H THR A 41 0.757 -15.219 -8.342 1.00 72.44 H new ATOM 0 HA THR A 41 -0.709 -17.601 -9.242 1.00 65.44 H new ATOM 0 HB THR A 41 0.740 -18.555 -7.222 1.00 15.35 H new ATOM 0 HG1 THR A 41 2.780 -17.402 -7.143 1.00 23.40 H new ATOM 0 HG21 THR A 41 2.541 -19.095 -8.816 1.00 45.21 H new ATOM 0 HG22 THR A 41 0.932 -19.280 -9.554 1.00 45.21 H new ATOM 0 HG23 THR A 41 1.924 -17.851 -9.929 1.00 45.21 H new ATOM 350 N VAL A 42 -2.124 -17.949 -7.180 1.00 1.43 N ATOM 351 CA VAL A 42 -3.109 -17.992 -6.106 1.00 1.33 C ATOM 352 C VAL A 42 -2.438 -17.898 -4.740 1.00 44.32 C ATOM 353 O VAL A 42 -2.931 -17.219 -3.840 1.00 13.33 O ATOM 354 CB VAL A 42 -3.948 -19.282 -6.165 1.00 51.12 C ATOM 355 CG1 VAL A 42 -4.966 -19.310 -5.035 1.00 51.44 C ATOM 356 CG2 VAL A 42 -4.635 -19.408 -7.516 1.00 74.14 C ATOM 0 H VAL A 42 -2.204 -18.708 -7.857 1.00 1.43 H new ATOM 0 HA VAL A 42 -3.766 -17.133 -6.245 1.00 1.33 H new ATOM 0 HB VAL A 42 -3.281 -20.135 -6.041 1.00 51.12 H new ATOM 0 HG11 VAL A 42 -5.549 -20.229 -5.093 1.00 51.44 H new ATOM 0 HG12 VAL A 42 -4.447 -19.270 -4.077 1.00 51.44 H new ATOM 0 HG13 VAL A 42 -5.632 -18.452 -5.124 1.00 51.44 H new ATOM 0 HG21 VAL A 42 -5.224 -20.325 -7.541 1.00 74.14 H new ATOM 0 HG22 VAL A 42 -5.291 -18.551 -7.672 1.00 74.14 H new ATOM 0 HG23 VAL A 42 -3.883 -19.438 -8.305 1.00 74.14 H new ATOM 366 N ASP A 43 -1.309 -18.583 -4.594 1.00 31.04 N ATOM 367 CA ASP A 43 -0.568 -18.576 -3.338 1.00 1.03 C ATOM 368 C ASP A 43 -0.296 -17.148 -2.875 1.00 53.10 C ATOM 369 O ASP A 43 -0.497 -16.814 -1.707 1.00 54.44 O ATOM 370 CB ASP A 43 0.751 -19.334 -3.495 1.00 43.21 C ATOM 371 CG ASP A 43 0.561 -20.838 -3.473 1.00 42.32 C ATOM 372 OD1 ASP A 43 1.562 -21.565 -3.643 1.00 23.23 O ATOM 373 OD2 ASP A 43 -0.588 -21.287 -3.286 1.00 35.33 O ATOM 0 H ASP A 43 -0.887 -19.150 -5.330 1.00 31.04 H new ATOM 0 HA ASP A 43 -1.177 -19.074 -2.583 1.00 1.03 H new ATOM 0 HB2 ASP A 43 1.224 -19.044 -4.433 1.00 43.21 H new ATOM 0 HB3 ASP A 43 1.430 -19.045 -2.693 1.00 43.21 H new ATOM 378 N VAL A 44 0.163 -16.309 -3.798 1.00 72.25 N ATOM 379 CA VAL A 44 0.462 -14.917 -3.486 1.00 2.03 C ATOM 380 C VAL A 44 -0.816 -14.120 -3.249 1.00 44.21 C ATOM 381 O VAL A 44 -0.911 -13.351 -2.292 1.00 33.11 O ATOM 382 CB VAL A 44 1.269 -14.249 -4.615 1.00 23.03 C ATOM 383 CG1 VAL A 44 1.551 -12.792 -4.280 1.00 72.13 C ATOM 384 CG2 VAL A 44 2.564 -15.007 -4.864 1.00 23.32 C ATOM 0 H VAL A 44 0.336 -16.570 -4.769 1.00 72.25 H new ATOM 0 HA VAL A 44 1.060 -14.919 -2.575 1.00 2.03 H new ATOM 0 HB VAL A 44 0.676 -14.279 -5.529 1.00 23.03 H new ATOM 0 HG11 VAL A 44 2.122 -12.337 -5.089 1.00 72.13 H new ATOM 0 HG12 VAL A 44 0.609 -12.258 -4.156 1.00 72.13 H new ATOM 0 HG13 VAL A 44 2.125 -12.736 -3.355 1.00 72.13 H new ATOM 0 HG21 VAL A 44 3.122 -14.521 -5.665 1.00 23.32 H new ATOM 0 HG22 VAL A 44 3.164 -15.011 -3.954 1.00 23.32 H new ATOM 0 HG23 VAL A 44 2.335 -16.033 -5.152 1.00 23.32 H new ATOM 394 N ILE A 45 -1.795 -14.309 -4.127 1.00 12.33 N ATOM 395 CA ILE A 45 -3.068 -13.608 -4.012 1.00 73.32 C ATOM 396 C ILE A 45 -3.665 -13.776 -2.619 1.00 23.11 C ATOM 397 O ILE A 45 -4.220 -12.834 -2.054 1.00 24.33 O ATOM 398 CB ILE A 45 -4.083 -14.110 -5.057 1.00 21.35 C ATOM 399 CG1 ILE A 45 -3.527 -13.924 -6.470 1.00 15.10 C ATOM 400 CG2 ILE A 45 -5.408 -13.379 -4.902 1.00 31.24 C ATOM 401 CD1 ILE A 45 -4.263 -14.728 -7.519 1.00 40.01 C ATOM 0 H ILE A 45 -1.731 -14.941 -4.925 1.00 12.33 H new ATOM 0 HA ILE A 45 -2.864 -12.552 -4.192 1.00 73.32 H new ATOM 0 HB ILE A 45 -4.256 -15.173 -4.892 1.00 21.35 H new ATOM 0 HG12 ILE A 45 -3.574 -12.868 -6.734 1.00 15.10 H new ATOM 0 HG13 ILE A 45 -2.475 -14.208 -6.478 1.00 15.10 H new ATOM 0 HG21 ILE A 45 -6.115 -13.745 -5.647 1.00 31.24 H new ATOM 0 HG22 ILE A 45 -5.808 -13.558 -3.904 1.00 31.24 H new ATOM 0 HG23 ILE A 45 -5.252 -12.310 -5.044 1.00 31.24 H new ATOM 0 HD11 ILE A 45 -3.815 -14.547 -8.496 1.00 40.01 H new ATOM 0 HD12 ILE A 45 -4.194 -15.789 -7.279 1.00 40.01 H new ATOM 0 HD13 ILE A 45 -5.311 -14.428 -7.539 1.00 40.01 H new ATOM 413 N GLN A 46 -3.544 -14.981 -2.071 1.00 13.02 N ATOM 414 CA GLN A 46 -4.071 -15.272 -0.742 1.00 42.55 C ATOM 415 C GLN A 46 -3.120 -14.773 0.341 1.00 60.31 C ATOM 416 O GLN A 46 -3.550 -14.206 1.345 1.00 51.41 O ATOM 417 CB GLN A 46 -4.304 -16.775 -0.581 1.00 13.42 C ATOM 418 CG GLN A 46 -5.620 -17.253 -1.174 1.00 24.22 C ATOM 419 CD GLN A 46 -6.759 -17.215 -0.174 1.00 24.30 C ATOM 420 OE1 GLN A 46 -7.151 -18.244 0.376 1.00 32.44 O ATOM 421 NE2 GLN A 46 -7.296 -16.025 0.067 1.00 70.13 N ATOM 0 H GLN A 46 -3.086 -15.771 -2.526 1.00 13.02 H new ATOM 0 HA GLN A 46 -5.022 -14.751 -0.633 1.00 42.55 H new ATOM 0 HB2 GLN A 46 -3.484 -17.314 -1.055 1.00 13.42 H new ATOM 0 HB3 GLN A 46 -4.280 -17.027 0.479 1.00 13.42 H new ATOM 0 HG2 GLN A 46 -5.874 -16.631 -2.032 1.00 24.22 H new ATOM 0 HG3 GLN A 46 -5.499 -18.272 -1.543 1.00 24.22 H new ATOM 0 HE21 GLN A 46 -6.939 -15.198 -0.412 1.00 70.13 H new ATOM 0 HE22 GLN A 46 -8.065 -15.938 0.731 1.00 70.13 H new ATOM 430 N SER A 47 -1.826 -14.990 0.131 1.00 45.13 N ATOM 431 CA SER A 47 -0.814 -14.567 1.092 1.00 43.54 C ATOM 432 C SER A 47 -0.949 -13.079 1.403 1.00 30.11 C ATOM 433 O SER A 47 -0.726 -12.647 2.535 1.00 73.01 O ATOM 434 CB SER A 47 0.587 -14.861 0.552 1.00 43.31 C ATOM 435 OG SER A 47 1.570 -14.115 1.250 1.00 54.35 O ATOM 0 H SER A 47 -1.453 -15.456 -0.696 1.00 45.13 H new ATOM 0 HA SER A 47 -0.966 -15.129 2.014 1.00 43.54 H new ATOM 0 HB2 SER A 47 0.800 -15.926 0.645 1.00 43.31 H new ATOM 0 HB3 SER A 47 0.629 -14.619 -0.510 1.00 43.31 H new ATOM 0 HG SER A 47 2.457 -14.322 0.887 1.00 54.35 H new ATOM 441 N LEU A 48 -1.315 -12.300 0.391 1.00 35.43 N ATOM 442 CA LEU A 48 -1.481 -10.860 0.555 1.00 32.32 C ATOM 443 C LEU A 48 -2.736 -10.545 1.363 1.00 22.14 C ATOM 444 O LEU A 48 -2.828 -9.497 2.001 1.00 72.01 O ATOM 445 CB LEU A 48 -1.556 -10.177 -0.811 1.00 41.23 C ATOM 446 CG LEU A 48 -0.226 -9.701 -1.397 1.00 52.32 C ATOM 447 CD1 LEU A 48 -0.313 -9.609 -2.913 1.00 20.32 C ATOM 448 CD2 LEU A 48 0.168 -8.357 -0.802 1.00 23.03 C ATOM 0 H LEU A 48 -1.502 -12.641 -0.552 1.00 35.43 H new ATOM 0 HA LEU A 48 -0.616 -10.479 1.098 1.00 32.32 H new ATOM 0 HB2 LEU A 48 -2.014 -10.870 -1.517 1.00 41.23 H new ATOM 0 HB3 LEU A 48 -2.222 -9.318 -0.730 1.00 41.23 H new ATOM 0 HG LEU A 48 0.543 -10.429 -1.141 1.00 52.32 H new ATOM 0 HD11 LEU A 48 0.642 -9.269 -3.312 1.00 20.32 H new ATOM 0 HD12 LEU A 48 -0.549 -10.590 -3.324 1.00 20.32 H new ATOM 0 HD13 LEU A 48 -1.095 -8.902 -3.190 1.00 20.32 H new ATOM 0 HD21 LEU A 48 1.117 -8.034 -1.230 1.00 23.03 H new ATOM 0 HD22 LEU A 48 -0.602 -7.619 -1.028 1.00 23.03 H new ATOM 0 HD23 LEU A 48 0.272 -8.454 0.279 1.00 23.03 H new ATOM 460 N ASN A 49 -3.698 -11.461 1.333 1.00 15.14 N ATOM 461 CA ASN A 49 -4.947 -11.281 2.065 1.00 74.32 C ATOM 462 C ASN A 49 -5.400 -12.593 2.698 1.00 32.25 C ATOM 463 O ASN A 49 -6.351 -13.233 2.248 1.00 24.42 O ATOM 464 CB ASN A 49 -6.037 -10.750 1.132 1.00 52.24 C ATOM 465 CG ASN A 49 -5.498 -9.759 0.118 1.00 62.53 C ATOM 466 OD1 ASN A 49 -5.555 -8.547 0.326 1.00 74.52 O ATOM 467 ND2 ASN A 49 -4.970 -10.273 -0.987 1.00 42.25 N ATOM 0 H ASN A 49 -3.637 -12.335 0.810 1.00 15.14 H new ATOM 0 HA ASN A 49 -4.772 -10.555 2.859 1.00 74.32 H new ATOM 0 HB2 ASN A 49 -6.502 -11.585 0.608 1.00 52.24 H new ATOM 0 HB3 ASN A 49 -6.817 -10.272 1.724 1.00 52.24 H new ATOM 0 HD21 ASN A 49 -4.591 -9.656 -1.705 1.00 42.25 H new ATOM 0 HD22 ASN A 49 -4.944 -11.284 -1.117 1.00 42.25 H new ATOM 474 N PRO A 50 -4.705 -13.004 3.769 1.00 0.15 N ATOM 475 CA PRO A 50 -5.018 -14.242 4.489 1.00 22.11 C ATOM 476 C PRO A 50 -6.333 -14.151 5.256 1.00 41.34 C ATOM 477 O PRO A 50 -6.948 -15.167 5.576 1.00 4.02 O ATOM 478 CB PRO A 50 -3.843 -14.395 5.459 1.00 73.23 C ATOM 479 CG PRO A 50 -3.337 -13.009 5.663 1.00 55.10 C ATOM 480 CD PRO A 50 -3.560 -12.291 4.361 1.00 53.32 C ATOM 0 HA PRO A 50 -5.143 -15.087 3.811 1.00 22.11 H new ATOM 0 HB2 PRO A 50 -4.162 -14.842 6.400 1.00 73.23 H new ATOM 0 HB3 PRO A 50 -3.070 -15.042 5.045 1.00 73.23 H new ATOM 0 HG2 PRO A 50 -3.868 -12.515 6.477 1.00 55.10 H new ATOM 0 HG3 PRO A 50 -2.280 -13.015 5.929 1.00 55.10 H new ATOM 0 HD2 PRO A 50 -3.781 -11.235 4.517 1.00 53.32 H new ATOM 0 HD3 PRO A 50 -2.680 -12.341 3.719 1.00 53.32 H new ATOM 488 N GLY A 51 -6.760 -12.925 5.546 1.00 25.32 N ATOM 489 CA GLY A 51 -8.000 -12.724 6.273 1.00 63.44 C ATOM 490 C GLY A 51 -9.202 -13.274 5.530 1.00 2.25 C ATOM 491 O GLY A 51 -10.183 -13.690 6.146 1.00 74.22 O ATOM 0 H GLY A 51 -6.269 -12.068 5.290 1.00 25.32 H new ATOM 0 HA2 GLY A 51 -7.928 -13.205 7.248 1.00 63.44 H new ATOM 0 HA3 GLY A 51 -8.144 -11.659 6.453 1.00 63.44 H new ATOM 495 N VAL A 52 -9.127 -13.274 4.203 1.00 2.23 N ATOM 496 CA VAL A 52 -10.217 -13.775 3.376 1.00 75.41 C ATOM 497 C VAL A 52 -9.817 -15.060 2.659 1.00 54.01 C ATOM 498 O VAL A 52 -8.646 -15.268 2.342 1.00 30.24 O ATOM 499 CB VAL A 52 -10.655 -12.732 2.331 1.00 41.02 C ATOM 500 CG1 VAL A 52 -11.911 -13.194 1.609 1.00 54.44 C ATOM 501 CG2 VAL A 52 -10.875 -11.379 2.990 1.00 55.32 C ATOM 0 H VAL A 52 -8.322 -12.932 3.678 1.00 2.23 H new ATOM 0 HA VAL A 52 -11.053 -13.980 4.045 1.00 75.41 H new ATOM 0 HB VAL A 52 -9.860 -12.626 1.593 1.00 41.02 H new ATOM 0 HG11 VAL A 52 -12.205 -12.444 0.875 1.00 54.44 H new ATOM 0 HG12 VAL A 52 -11.713 -14.139 1.103 1.00 54.44 H new ATOM 0 HG13 VAL A 52 -12.716 -13.330 2.331 1.00 54.44 H new ATOM 0 HG21 VAL A 52 -11.184 -10.654 2.237 1.00 55.32 H new ATOM 0 HG22 VAL A 52 -11.651 -11.466 3.750 1.00 55.32 H new ATOM 0 HG23 VAL A 52 -9.947 -11.046 3.456 1.00 55.32 H new ATOM 511 N VAL A 53 -10.799 -15.920 2.405 1.00 41.45 N ATOM 512 CA VAL A 53 -10.550 -17.184 1.723 1.00 71.22 C ATOM 513 C VAL A 53 -11.598 -17.444 0.647 1.00 75.11 C ATOM 514 O VAL A 53 -12.715 -16.927 0.695 1.00 44.53 O ATOM 515 CB VAL A 53 -10.543 -18.364 2.713 1.00 14.22 C ATOM 516 CG1 VAL A 53 -9.229 -18.412 3.477 1.00 21.41 C ATOM 517 CG2 VAL A 53 -11.722 -18.263 3.670 1.00 40.43 C ATOM 0 H VAL A 53 -11.774 -15.764 2.661 1.00 41.45 H new ATOM 0 HA VAL A 53 -9.568 -17.104 1.257 1.00 71.22 H new ATOM 0 HB VAL A 53 -10.641 -19.291 2.148 1.00 14.22 H new ATOM 0 HG11 VAL A 53 -9.242 -19.252 4.172 1.00 21.41 H new ATOM 0 HG12 VAL A 53 -8.404 -18.535 2.775 1.00 21.41 H new ATOM 0 HG13 VAL A 53 -9.097 -17.484 4.033 1.00 21.41 H new ATOM 0 HG21 VAL A 53 -11.702 -19.105 4.362 1.00 40.43 H new ATOM 0 HG22 VAL A 53 -11.657 -17.330 4.230 1.00 40.43 H new ATOM 0 HG23 VAL A 53 -12.653 -18.282 3.104 1.00 40.43 H new ATOM 527 N PRO A 54 -11.234 -18.266 -0.348 1.00 43.03 N ATOM 528 CA PRO A 54 -12.129 -18.615 -1.455 1.00 51.33 C ATOM 529 C PRO A 54 -13.282 -19.507 -1.009 1.00 71.42 C ATOM 530 O PRO A 54 -14.373 -19.463 -1.580 1.00 24.13 O ATOM 531 CB PRO A 54 -11.216 -19.366 -2.427 1.00 22.41 C ATOM 532 CG PRO A 54 -10.127 -19.918 -1.573 1.00 61.31 C ATOM 533 CD PRO A 54 -9.919 -18.919 -0.469 1.00 52.42 C ATOM 0 HA PRO A 54 -12.603 -17.734 -1.889 1.00 51.33 H new ATOM 0 HB2 PRO A 54 -11.755 -20.160 -2.944 1.00 22.41 H new ATOM 0 HB3 PRO A 54 -10.819 -18.700 -3.193 1.00 22.41 H new ATOM 0 HG2 PRO A 54 -10.403 -20.893 -1.170 1.00 61.31 H new ATOM 0 HG3 PRO A 54 -9.213 -20.059 -2.149 1.00 61.31 H new ATOM 0 HD2 PRO A 54 -9.624 -19.404 0.462 1.00 52.42 H new ATOM 0 HD3 PRO A 54 -9.136 -18.203 -0.717 1.00 52.42 H new ATOM 541 N THR A 55 -13.035 -20.318 0.015 1.00 21.11 N ATOM 542 CA THR A 55 -14.052 -21.222 0.537 1.00 11.34 C ATOM 543 C THR A 55 -15.327 -20.466 0.896 1.00 24.42 C ATOM 544 O THR A 55 -16.433 -20.938 0.634 1.00 13.31 O ATOM 545 CB THR A 55 -13.548 -21.976 1.782 1.00 1.34 C ATOM 546 OG1 THR A 55 -12.192 -22.392 1.587 1.00 3.23 O ATOM 547 CG2 THR A 55 -14.420 -23.189 2.070 1.00 5.22 C ATOM 0 H THR A 55 -12.139 -20.367 0.499 1.00 21.11 H new ATOM 0 HA THR A 55 -14.269 -21.943 -0.251 1.00 11.34 H new ATOM 0 HB THR A 55 -13.601 -21.300 2.635 1.00 1.34 H new ATOM 0 HG1 THR A 55 -11.878 -22.869 2.384 1.00 3.23 H new ATOM 0 HG21 THR A 55 -14.045 -23.705 2.953 1.00 5.22 H new ATOM 0 HG22 THR A 55 -15.446 -22.866 2.247 1.00 5.22 H new ATOM 0 HG23 THR A 55 -14.395 -23.866 1.216 1.00 5.22 H new ATOM 555 N ARG A 56 -15.164 -19.292 1.497 1.00 42.15 N ATOM 556 CA ARG A 56 -16.302 -18.472 1.892 1.00 53.53 C ATOM 557 C ARG A 56 -16.143 -17.040 1.387 1.00 64.53 C ATOM 558 O ARG A 56 -16.511 -16.085 2.070 1.00 15.44 O ATOM 559 CB ARG A 56 -16.455 -18.472 3.414 1.00 61.41 C ATOM 560 CG ARG A 56 -15.162 -18.177 4.156 1.00 64.02 C ATOM 561 CD ARG A 56 -15.399 -18.027 5.650 1.00 25.24 C ATOM 562 NE ARG A 56 -14.190 -17.611 6.357 1.00 31.11 N ATOM 563 CZ ARG A 56 -14.148 -17.370 7.663 1.00 75.22 C ATOM 564 NH1 ARG A 56 -15.242 -17.504 8.400 1.00 13.11 N ATOM 565 NH2 ARG A 56 -13.011 -16.995 8.234 1.00 62.34 N ATOM 0 H ARG A 56 -14.255 -18.888 1.721 1.00 42.15 H new ATOM 0 HA ARG A 56 -17.198 -18.900 1.443 1.00 53.53 H new ATOM 0 HB2 ARG A 56 -17.203 -17.731 3.695 1.00 61.41 H new ATOM 0 HB3 ARG A 56 -16.833 -19.443 3.733 1.00 61.41 H new ATOM 0 HG2 ARG A 56 -14.448 -18.981 3.979 1.00 64.02 H new ATOM 0 HG3 ARG A 56 -14.716 -17.263 3.764 1.00 64.02 H new ATOM 0 HD2 ARG A 56 -16.188 -17.295 5.820 1.00 25.24 H new ATOM 0 HD3 ARG A 56 -15.750 -18.975 6.058 1.00 25.24 H new ATOM 0 HE ARG A 56 -13.331 -17.499 5.818 1.00 31.11 H new ATOM 0 HH11 ARG A 56 -16.118 -17.793 7.965 1.00 13.11 H new ATOM 0 HH12 ARG A 56 -15.208 -17.319 9.402 1.00 13.11 H new ATOM 0 HH21 ARG A 56 -12.167 -16.891 7.670 1.00 62.34 H new ATOM 0 HH22 ARG A 56 -12.980 -16.810 9.237 1.00 62.34 H new ATOM 579 N LEU A 57 -15.590 -16.900 0.187 1.00 75.54 N ATOM 580 CA LEU A 57 -15.381 -15.586 -0.411 1.00 31.04 C ATOM 581 C LEU A 57 -16.693 -14.814 -0.501 1.00 13.43 C ATOM 582 O LEU A 57 -17.773 -15.392 -0.384 1.00 54.31 O ATOM 583 CB LEU A 57 -14.764 -15.729 -1.803 1.00 22.12 C ATOM 584 CG LEU A 57 -15.581 -16.524 -2.821 1.00 75.51 C ATOM 585 CD1 LEU A 57 -16.598 -15.626 -3.509 1.00 3.25 C ATOM 586 CD2 LEU A 57 -14.666 -17.179 -3.846 1.00 13.13 C ATOM 0 H LEU A 57 -15.278 -17.680 -0.391 1.00 75.54 H new ATOM 0 HA LEU A 57 -14.696 -15.029 0.228 1.00 31.04 H new ATOM 0 HB2 LEU A 57 -14.591 -14.731 -2.206 1.00 22.12 H new ATOM 0 HB3 LEU A 57 -13.789 -16.204 -1.699 1.00 22.12 H new ATOM 0 HG LEU A 57 -16.120 -17.309 -2.291 1.00 75.51 H new ATOM 0 HD11 LEU A 57 -17.170 -16.210 -4.230 1.00 3.25 H new ATOM 0 HD12 LEU A 57 -17.274 -15.205 -2.765 1.00 3.25 H new ATOM 0 HD13 LEU A 57 -16.080 -14.818 -4.026 1.00 3.25 H new ATOM 0 HD21 LEU A 57 -15.265 -17.741 -4.563 1.00 13.13 H new ATOM 0 HD22 LEU A 57 -14.099 -16.410 -4.371 1.00 13.13 H new ATOM 0 HD23 LEU A 57 -13.978 -17.856 -3.340 1.00 13.13 H new ATOM 598 N GLN A 58 -16.591 -13.505 -0.711 1.00 24.22 N ATOM 599 CA GLN A 58 -17.770 -12.654 -0.818 1.00 61.41 C ATOM 600 C GLN A 58 -17.688 -11.763 -2.053 1.00 63.42 C ATOM 601 O GLN A 58 -16.874 -10.841 -2.113 1.00 73.22 O ATOM 602 CB GLN A 58 -17.920 -11.793 0.437 1.00 24.53 C ATOM 603 CG GLN A 58 -17.905 -12.594 1.729 1.00 34.34 C ATOM 604 CD GLN A 58 -16.505 -12.808 2.268 1.00 65.30 C ATOM 605 OE1 GLN A 58 -15.520 -12.413 1.644 1.00 42.44 O ATOM 606 NE2 GLN A 58 -16.408 -13.437 3.433 1.00 22.35 N ATOM 0 H GLN A 58 -15.704 -13.011 -0.810 1.00 24.22 H new ATOM 0 HA GLN A 58 -18.644 -13.298 -0.914 1.00 61.41 H new ATOM 0 HB2 GLN A 58 -17.113 -11.061 0.464 1.00 24.53 H new ATOM 0 HB3 GLN A 58 -18.855 -11.235 0.376 1.00 24.53 H new ATOM 0 HG2 GLN A 58 -18.504 -12.077 2.479 1.00 34.34 H new ATOM 0 HG3 GLN A 58 -18.376 -13.562 1.557 1.00 34.34 H new ATOM 0 HE21 GLN A 58 -17.251 -13.748 3.917 1.00 22.35 H new ATOM 0 HE22 GLN A 58 -15.491 -13.610 3.845 1.00 22.35 H new ATOM 615 N VAL A 59 -18.535 -12.045 -3.038 1.00 32.33 N ATOM 616 CA VAL A 59 -18.559 -11.269 -4.272 1.00 30.13 C ATOM 617 C VAL A 59 -18.727 -9.782 -3.982 1.00 42.31 C ATOM 618 O VAL A 59 -19.543 -9.389 -3.150 1.00 2.25 O ATOM 619 CB VAL A 59 -19.695 -11.731 -5.203 1.00 53.14 C ATOM 620 CG1 VAL A 59 -19.558 -13.212 -5.520 1.00 64.20 C ATOM 621 CG2 VAL A 59 -21.050 -11.435 -4.578 1.00 50.52 C ATOM 0 H VAL A 59 -19.214 -12.806 -3.005 1.00 32.33 H new ATOM 0 HA VAL A 59 -17.603 -11.434 -4.769 1.00 30.13 H new ATOM 0 HB VAL A 59 -19.622 -11.176 -6.138 1.00 53.14 H new ATOM 0 HG11 VAL A 59 -20.370 -13.520 -6.179 1.00 64.20 H new ATOM 0 HG12 VAL A 59 -18.603 -13.392 -6.013 1.00 64.20 H new ATOM 0 HG13 VAL A 59 -19.603 -13.788 -4.596 1.00 64.20 H new ATOM 0 HG21 VAL A 59 -21.841 -11.768 -5.250 1.00 50.52 H new ATOM 0 HG22 VAL A 59 -21.135 -11.962 -3.628 1.00 50.52 H new ATOM 0 HG23 VAL A 59 -21.146 -10.363 -4.408 1.00 50.52 H new ATOM 631 N GLY A 60 -17.948 -8.957 -4.677 1.00 30.55 N ATOM 632 CA GLY A 60 -18.026 -7.522 -4.480 1.00 42.31 C ATOM 633 C GLY A 60 -17.143 -7.043 -3.345 1.00 21.23 C ATOM 634 O GLY A 60 -17.566 -6.232 -2.522 1.00 3.42 O ATOM 0 H GLY A 60 -17.265 -9.258 -5.372 1.00 30.55 H new ATOM 0 HA2 GLY A 60 -17.735 -7.016 -5.401 1.00 42.31 H new ATOM 0 HA3 GLY A 60 -19.059 -7.242 -4.275 1.00 42.31 H new ATOM 638 N GLN A 61 -15.914 -7.548 -3.299 1.00 74.32 N ATOM 639 CA GLN A 61 -14.971 -7.169 -2.254 1.00 51.41 C ATOM 640 C GLN A 61 -13.615 -6.804 -2.851 1.00 35.45 C ATOM 641 O GLN A 61 -13.108 -7.496 -3.733 1.00 61.33 O ATOM 642 CB GLN A 61 -14.809 -8.307 -1.246 1.00 23.50 C ATOM 643 CG GLN A 61 -14.564 -7.830 0.177 1.00 71.55 C ATOM 644 CD GLN A 61 -13.114 -7.969 0.597 1.00 12.41 C ATOM 645 OE1 GLN A 61 -12.486 -7.001 1.029 1.00 71.44 O ATOM 646 NE2 GLN A 61 -12.574 -9.175 0.474 1.00 70.44 N ATOM 0 H GLN A 61 -15.549 -8.220 -3.973 1.00 74.32 H new ATOM 0 HA GLN A 61 -15.369 -6.294 -1.741 1.00 51.41 H new ATOM 0 HB2 GLN A 61 -15.706 -8.927 -1.263 1.00 23.50 H new ATOM 0 HB3 GLN A 61 -13.978 -8.940 -1.556 1.00 23.50 H new ATOM 0 HG2 GLN A 61 -14.865 -6.786 0.263 1.00 71.55 H new ATOM 0 HG3 GLN A 61 -15.193 -8.400 0.861 1.00 71.55 H new ATOM 0 HE21 GLN A 61 -13.131 -9.949 0.111 1.00 70.44 H new ATOM 0 HE22 GLN A 61 -11.602 -9.328 0.742 1.00 70.44 H new ATOM 655 N VAL A 62 -13.034 -5.713 -2.363 1.00 24.33 N ATOM 656 CA VAL A 62 -11.736 -5.257 -2.847 1.00 32.30 C ATOM 657 C VAL A 62 -10.602 -5.840 -2.011 1.00 40.31 C ATOM 658 O VAL A 62 -10.655 -5.828 -0.781 1.00 31.41 O ATOM 659 CB VAL A 62 -11.638 -3.720 -2.826 1.00 22.40 C ATOM 660 CG1 VAL A 62 -11.714 -3.200 -1.399 1.00 11.32 C ATOM 661 CG2 VAL A 62 -10.355 -3.260 -3.502 1.00 55.34 C ATOM 0 H VAL A 62 -13.441 -5.128 -1.633 1.00 24.33 H new ATOM 0 HA VAL A 62 -11.641 -5.605 -3.875 1.00 32.30 H new ATOM 0 HB VAL A 62 -12.482 -3.311 -3.382 1.00 22.40 H new ATOM 0 HG11 VAL A 62 -11.643 -2.112 -1.404 1.00 11.32 H new ATOM 0 HG12 VAL A 62 -12.662 -3.500 -0.952 1.00 11.32 H new ATOM 0 HG13 VAL A 62 -10.891 -3.615 -0.816 1.00 11.32 H new ATOM 0 HG21 VAL A 62 -10.301 -2.172 -3.479 1.00 55.34 H new ATOM 0 HG22 VAL A 62 -9.497 -3.677 -2.975 1.00 55.34 H new ATOM 0 HG23 VAL A 62 -10.347 -3.601 -4.537 1.00 55.34 H new ATOM 671 N ILE A 63 -9.577 -6.348 -2.687 1.00 1.41 N ATOM 672 CA ILE A 63 -8.429 -6.933 -2.006 1.00 63.22 C ATOM 673 C ILE A 63 -7.124 -6.321 -2.503 1.00 43.43 C ATOM 674 O ILE A 63 -7.128 -5.428 -3.350 1.00 13.13 O ATOM 675 CB ILE A 63 -8.375 -8.459 -2.205 1.00 23.51 C ATOM 676 CG1 ILE A 63 -8.316 -8.800 -3.695 1.00 53.14 C ATOM 677 CG2 ILE A 63 -9.579 -9.122 -1.552 1.00 5.45 C ATOM 678 CD1 ILE A 63 -7.553 -10.071 -3.995 1.00 72.14 C ATOM 0 H ILE A 63 -9.518 -6.366 -3.705 1.00 1.41 H new ATOM 0 HA ILE A 63 -8.548 -6.716 -0.944 1.00 63.22 H new ATOM 0 HB ILE A 63 -7.472 -8.840 -1.728 1.00 23.51 H new ATOM 0 HG12 ILE A 63 -9.332 -8.897 -4.078 1.00 53.14 H new ATOM 0 HG13 ILE A 63 -7.851 -7.972 -4.231 1.00 53.14 H new ATOM 0 HG21 ILE A 63 -9.526 -10.200 -1.702 1.00 5.45 H new ATOM 0 HG22 ILE A 63 -9.580 -8.903 -0.484 1.00 5.45 H new ATOM 0 HG23 ILE A 63 -10.494 -8.738 -2.002 1.00 5.45 H new ATOM 0 HD11 ILE A 63 -7.552 -10.250 -5.070 1.00 72.14 H new ATOM 0 HD12 ILE A 63 -6.526 -9.971 -3.643 1.00 72.14 H new ATOM 0 HD13 ILE A 63 -8.030 -10.910 -3.488 1.00 72.14 H new ATOM 690 N ASN A 64 -6.007 -6.808 -1.972 1.00 33.21 N ATOM 691 CA ASN A 64 -4.694 -6.310 -2.363 1.00 3.54 C ATOM 692 C ASN A 64 -4.020 -7.263 -3.344 1.00 64.32 C ATOM 693 O ASN A 64 -4.099 -8.483 -3.196 1.00 12.24 O ATOM 694 CB ASN A 64 -3.809 -6.121 -1.128 1.00 51.25 C ATOM 695 CG ASN A 64 -3.983 -4.753 -0.496 1.00 61.42 C ATOM 696 OD1 ASN A 64 -3.300 -3.797 -0.862 1.00 52.44 O ATOM 697 ND2 ASN A 64 -4.900 -4.656 0.459 1.00 12.30 N ATOM 0 H ASN A 64 -5.985 -7.547 -1.270 1.00 33.21 H new ATOM 0 HA ASN A 64 -4.830 -5.347 -2.856 1.00 3.54 H new ATOM 0 HB2 ASN A 64 -4.046 -6.890 -0.393 1.00 51.25 H new ATOM 0 HB3 ASN A 64 -2.765 -6.259 -1.408 1.00 51.25 H new ATOM 0 HD21 ASN A 64 -5.062 -3.762 0.922 1.00 12.30 H new ATOM 0 HD22 ASN A 64 -5.443 -5.476 0.730 1.00 12.30 H new ATOM 704 N VAL A 65 -3.355 -6.699 -4.348 1.00 10.14 N ATOM 705 CA VAL A 65 -2.665 -7.498 -5.353 1.00 72.21 C ATOM 706 C VAL A 65 -1.351 -6.845 -5.768 1.00 34.34 C ATOM 707 O VAL A 65 -1.164 -5.635 -5.642 1.00 11.12 O ATOM 708 CB VAL A 65 -3.540 -7.704 -6.604 1.00 34.24 C ATOM 709 CG1 VAL A 65 -4.595 -8.770 -6.348 1.00 20.12 C ATOM 710 CG2 VAL A 65 -4.187 -6.393 -7.023 1.00 1.41 C ATOM 0 H VAL A 65 -3.280 -5.691 -4.486 1.00 10.14 H new ATOM 0 HA VAL A 65 -2.458 -8.467 -4.899 1.00 72.21 H new ATOM 0 HB VAL A 65 -2.903 -8.046 -7.420 1.00 34.24 H new ATOM 0 HG11 VAL A 65 -5.204 -8.902 -7.243 1.00 20.12 H new ATOM 0 HG12 VAL A 65 -4.107 -9.712 -6.099 1.00 20.12 H new ATOM 0 HG13 VAL A 65 -5.231 -8.461 -5.519 1.00 20.12 H new ATOM 0 HG21 VAL A 65 -4.801 -6.557 -7.908 1.00 1.41 H new ATOM 0 HG22 VAL A 65 -4.812 -6.020 -6.212 1.00 1.41 H new ATOM 0 HG23 VAL A 65 -3.412 -5.661 -7.250 1.00 1.41 H new ATOM 720 N PRO A 66 -0.418 -7.664 -6.275 1.00 20.10 N ATOM 721 CA PRO A 66 0.895 -7.188 -6.720 1.00 22.22 C ATOM 722 C PRO A 66 0.807 -6.344 -7.987 1.00 2.25 C ATOM 723 O PRO A 66 0.421 -6.836 -9.047 1.00 43.34 O ATOM 724 CB PRO A 66 1.668 -8.481 -6.992 1.00 33.41 C ATOM 725 CG PRO A 66 0.617 -9.494 -7.292 1.00 61.04 C ATOM 726 CD PRO A 66 -0.573 -9.117 -6.454 1.00 21.51 C ATOM 0 HA PRO A 66 1.366 -6.541 -5.980 1.00 22.22 H new ATOM 0 HB2 PRO A 66 2.355 -8.363 -7.830 1.00 33.41 H new ATOM 0 HB3 PRO A 66 2.266 -8.774 -6.129 1.00 33.41 H new ATOM 0 HG2 PRO A 66 0.364 -9.492 -8.352 1.00 61.04 H new ATOM 0 HG3 PRO A 66 0.963 -10.499 -7.049 1.00 61.04 H new ATOM 0 HD2 PRO A 66 -1.510 -9.363 -6.954 1.00 21.51 H new ATOM 0 HD3 PRO A 66 -0.574 -9.642 -5.499 1.00 21.51 H new ATOM 734 N CYS A 67 1.168 -5.070 -7.869 1.00 73.23 N ATOM 735 CA CYS A 67 1.130 -4.157 -9.005 1.00 13.53 C ATOM 736 C CYS A 67 2.321 -4.388 -9.929 1.00 44.02 C ATOM 737 O CYS A 67 2.860 -3.446 -10.511 1.00 21.03 O ATOM 738 CB CYS A 67 1.121 -2.706 -8.519 1.00 4.24 C ATOM 739 SG CYS A 67 0.288 -1.547 -9.651 1.00 21.23 S ATOM 0 H CYS A 67 1.490 -4.647 -6.998 1.00 73.23 H new ATOM 0 HA CYS A 67 0.216 -4.352 -9.565 1.00 13.53 H new ATOM 0 HB2 CYS A 67 0.630 -2.663 -7.547 1.00 4.24 H new ATOM 0 HB3 CYS A 67 2.150 -2.377 -8.372 1.00 4.24 H new TER 744 CYS A 67