USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 458 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 5 TYR OH : rot 150:sc= -1.01 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.104 X(o=-1.1,f=-0.96) USER MOD Single : A 1 VAL N :NH3+ 145:sc= -0.21 (180deg=-0.534) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.747 K(o=-0.75,f=-8.2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.5!) USER MOD Single : A 23 ASN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -78:sc= 0.603 USER MOD Single : A 29 ASN : amide:sc= 0.589 K(o=0.59,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -64:sc= 0.0527 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.933 X(o=-0.93,f=-0.98) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0922 K(o=-0.092,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.556 -0.105 -0.075 1.00 51.51 N ATOM 2 CA VAL A 1 2.330 -0.118 -1.311 1.00 10.44 C ATOM 3 C VAL A 1 2.987 1.235 -1.562 1.00 23.24 C ATOM 4 O VAL A 1 2.559 2.254 -1.021 1.00 2.45 O ATOM 5 CB VAL A 1 1.449 -0.481 -2.521 1.00 3.41 C ATOM 6 CG1 VAL A 1 1.095 -1.960 -2.499 1.00 50.33 C ATOM 7 CG2 VAL A 1 0.193 0.377 -2.541 1.00 71.23 C ATOM 0 H1 VAL A 1 0.711 -0.701 -0.188 1.00 51.51 H new ATOM 0 H2 VAL A 1 2.139 -0.474 0.703 1.00 51.51 H new ATOM 0 H3 VAL A 1 1.265 0.870 0.142 1.00 51.51 H new ATOM 0 HA VAL A 1 3.103 -0.878 -1.193 1.00 10.44 H new ATOM 0 HB VAL A 1 2.012 -0.281 -3.432 1.00 3.41 H new ATOM 0 HG11 VAL A 1 0.472 -2.198 -3.361 1.00 50.33 H new ATOM 0 HG12 VAL A 1 2.009 -2.553 -2.536 1.00 50.33 H new ATOM 0 HG13 VAL A 1 0.550 -2.190 -1.583 1.00 50.33 H new ATOM 0 HG21 VAL A 1 -0.418 0.107 -3.402 1.00 71.23 H new ATOM 0 HG22 VAL A 1 -0.376 0.211 -1.626 1.00 71.23 H new ATOM 0 HG23 VAL A 1 0.472 1.429 -2.609 1.00 71.23 H new ATOM 17 N ARG A 2 4.030 1.236 -2.386 1.00 73.00 N ATOM 18 CA ARG A 2 4.747 2.463 -2.709 1.00 2.43 C ATOM 19 C ARG A 2 5.374 2.378 -4.097 1.00 71.23 C ATOM 20 O ARG A 2 5.776 1.303 -4.543 1.00 35.32 O ATOM 21 CB ARG A 2 5.831 2.735 -1.664 1.00 42.20 C ATOM 22 CG ARG A 2 6.977 1.737 -1.701 1.00 41.35 C ATOM 23 CD ARG A 2 6.596 0.426 -1.032 1.00 72.05 C ATOM 24 NE ARG A 2 7.769 -0.356 -0.653 1.00 62.41 N ATOM 25 CZ ARG A 2 7.744 -1.325 0.256 1.00 5.40 C ATOM 26 NH1 ARG A 2 6.612 -1.628 0.875 1.00 21.23 N ATOM 27 NH2 ARG A 2 8.854 -1.992 0.547 1.00 50.30 N ATOM 0 H ARG A 2 4.397 0.401 -2.842 1.00 73.00 H new ATOM 0 HA ARG A 2 4.031 3.285 -2.703 1.00 2.43 H new ATOM 0 HB2 ARG A 2 6.229 3.738 -1.818 1.00 42.20 H new ATOM 0 HB3 ARG A 2 5.379 2.720 -0.672 1.00 42.20 H new ATOM 0 HG2 ARG A 2 7.264 1.549 -2.736 1.00 41.35 H new ATOM 0 HG3 ARG A 2 7.847 2.162 -1.201 1.00 41.35 H new ATOM 0 HD2 ARG A 2 5.996 0.632 -0.146 1.00 72.05 H new ATOM 0 HD3 ARG A 2 5.974 -0.159 -1.709 1.00 72.05 H new ATOM 0 HE ARG A 2 8.656 -0.147 -1.111 1.00 62.41 H new ATOM 0 HH11 ARG A 2 5.757 -1.117 0.654 1.00 21.23 H new ATOM 0 HH12 ARG A 2 6.595 -2.372 1.572 1.00 21.23 H new ATOM 0 HH21 ARG A 2 9.727 -1.761 0.073 1.00 50.30 H new ATOM 0 HH22 ARG A 2 8.834 -2.736 1.245 1.00 50.30 H new ATOM 41 N ASP A 3 5.454 3.517 -4.776 1.00 14.02 N ATOM 42 CA ASP A 3 6.032 3.571 -6.114 1.00 13.45 C ATOM 43 C ASP A 3 7.554 3.502 -6.051 1.00 3.13 C ATOM 44 O ASP A 3 8.166 3.940 -5.077 1.00 13.22 O ATOM 45 CB ASP A 3 5.596 4.851 -6.829 1.00 1.21 C ATOM 46 CG ASP A 3 4.245 5.348 -6.355 1.00 15.11 C ATOM 47 OD1 ASP A 3 3.235 4.660 -6.615 1.00 14.53 O ATOM 48 OD2 ASP A 3 4.197 6.424 -5.723 1.00 53.02 O ATOM 0 H ASP A 3 5.126 4.416 -4.422 1.00 14.02 H new ATOM 0 HA ASP A 3 5.670 2.709 -6.675 1.00 13.45 H new ATOM 0 HB2 ASP A 3 6.343 5.627 -6.665 1.00 1.21 H new ATOM 0 HB3 ASP A 3 5.556 4.668 -7.903 1.00 1.21 H new ATOM 53 N ALA A 4 8.160 2.948 -7.096 1.00 31.22 N ATOM 54 CA ALA A 4 9.611 2.822 -7.160 1.00 33.13 C ATOM 55 C ALA A 4 10.049 2.183 -8.473 1.00 71.20 C ATOM 56 O ALA A 4 9.227 1.916 -9.350 1.00 35.04 O ATOM 57 CB ALA A 4 10.123 2.010 -5.979 1.00 14.31 C ATOM 0 H ALA A 4 7.668 2.579 -7.910 1.00 31.22 H new ATOM 0 HA ALA A 4 10.040 3.823 -7.112 1.00 33.13 H new ATOM 0 HB1 ALA A 4 11.208 1.924 -6.040 1.00 14.31 H new ATOM 0 HB2 ALA A 4 9.850 2.509 -5.049 1.00 14.31 H new ATOM 0 HB3 ALA A 4 9.678 1.015 -6.001 1.00 14.31 H new ATOM 63 N TYR A 5 11.348 1.940 -8.603 1.00 5.42 N ATOM 64 CA TYR A 5 11.896 1.335 -9.811 1.00 42.40 C ATOM 65 C TYR A 5 11.967 -0.183 -9.676 1.00 52.43 C ATOM 66 O TYR A 5 12.861 -0.718 -9.021 1.00 5.42 O ATOM 67 CB TYR A 5 13.288 1.898 -10.102 1.00 45.03 C ATOM 68 CG TYR A 5 13.298 2.967 -11.171 1.00 40.33 C ATOM 69 CD1 TYR A 5 12.969 2.665 -12.487 1.00 34.31 C ATOM 70 CD2 TYR A 5 13.637 4.280 -10.866 1.00 63.53 C ATOM 71 CE1 TYR A 5 12.977 3.638 -13.467 1.00 54.02 C ATOM 72 CE2 TYR A 5 13.647 5.260 -11.840 1.00 34.42 C ATOM 73 CZ TYR A 5 13.316 4.934 -13.139 1.00 33.04 C ATOM 74 OH TYR A 5 13.325 5.907 -14.111 1.00 41.15 O ATOM 0 H TYR A 5 12.042 2.153 -7.886 1.00 5.42 H new ATOM 0 HA TYR A 5 11.233 1.577 -10.641 1.00 42.40 H new ATOM 0 HB2 TYR A 5 13.703 2.312 -9.183 1.00 45.03 H new ATOM 0 HB3 TYR A 5 13.943 1.083 -10.409 1.00 45.03 H new ATOM 0 HD1 TYR A 5 12.702 1.651 -12.748 1.00 34.31 H new ATOM 0 HD2 TYR A 5 13.897 4.539 -9.850 1.00 63.53 H new ATOM 0 HE1 TYR A 5 12.719 3.385 -14.485 1.00 54.02 H new ATOM 0 HE2 TYR A 5 13.912 6.276 -11.586 1.00 34.42 H new ATOM 0 HH TYR A 5 13.107 6.774 -13.708 1.00 41.15 H new ATOM 84 N ILE A 6 11.018 -0.870 -10.302 1.00 74.20 N ATOM 85 CA ILE A 6 10.972 -2.326 -10.254 1.00 62.42 C ATOM 86 C ILE A 6 12.201 -2.937 -10.920 1.00 12.21 C ATOM 87 O ILE A 6 12.713 -2.407 -11.905 1.00 71.05 O ATOM 88 CB ILE A 6 9.706 -2.873 -10.940 1.00 10.04 C ATOM 89 CG1 ILE A 6 9.742 -4.402 -10.981 1.00 34.14 C ATOM 90 CG2 ILE A 6 9.576 -2.303 -12.344 1.00 51.21 C ATOM 91 CD1 ILE A 6 8.398 -5.030 -11.278 1.00 31.03 C ATOM 0 H ILE A 6 10.271 -0.442 -10.848 1.00 74.20 H new ATOM 0 HA ILE A 6 10.954 -2.606 -9.201 1.00 62.42 H new ATOM 0 HB ILE A 6 8.835 -2.564 -10.362 1.00 10.04 H new ATOM 0 HG12 ILE A 6 10.458 -4.720 -11.739 1.00 34.14 H new ATOM 0 HG13 ILE A 6 10.104 -4.775 -10.023 1.00 34.14 H new ATOM 0 HG21 ILE A 6 8.677 -2.699 -12.816 1.00 51.21 H new ATOM 0 HG22 ILE A 6 9.509 -1.216 -12.291 1.00 51.21 H new ATOM 0 HG23 ILE A 6 10.449 -2.585 -12.933 1.00 51.21 H new ATOM 0 HD11 ILE A 6 8.499 -6.115 -11.292 1.00 31.03 H new ATOM 0 HD12 ILE A 6 7.683 -4.741 -10.507 1.00 31.03 H new ATOM 0 HD13 ILE A 6 8.043 -4.686 -12.249 1.00 31.03 H new ATOM 103 N ALA A 7 12.668 -4.055 -10.375 1.00 72.51 N ATOM 104 CA ALA A 7 13.834 -4.741 -10.918 1.00 51.24 C ATOM 105 C ALA A 7 13.815 -6.223 -10.563 1.00 34.55 C ATOM 106 O ALA A 7 12.909 -6.696 -9.875 1.00 60.11 O ATOM 107 CB ALA A 7 15.112 -4.091 -10.410 1.00 43.33 C ATOM 0 H ALA A 7 12.257 -4.505 -9.557 1.00 72.51 H new ATOM 0 HA ALA A 7 13.802 -4.655 -12.004 1.00 51.24 H new ATOM 0 HB1 ALA A 7 15.975 -4.613 -10.823 1.00 43.33 H new ATOM 0 HB2 ALA A 7 15.137 -3.046 -10.720 1.00 43.33 H new ATOM 0 HB3 ALA A 7 15.141 -4.147 -9.322 1.00 43.33 H new ATOM 113 N LYS A 8 14.819 -6.954 -11.035 1.00 51.32 N ATOM 114 CA LYS A 8 14.918 -8.383 -10.767 1.00 25.40 C ATOM 115 C LYS A 8 16.238 -8.717 -10.078 1.00 60.24 C ATOM 116 O LYS A 8 17.294 -8.180 -10.414 1.00 30.15 O ATOM 117 CB LYS A 8 14.796 -9.177 -12.069 1.00 74.45 C ATOM 118 CG LYS A 8 15.079 -10.661 -11.907 1.00 1.33 C ATOM 119 CD LYS A 8 15.284 -11.340 -13.250 1.00 41.04 C ATOM 120 CE LYS A 8 16.753 -11.643 -13.503 1.00 71.33 C ATOM 121 NZ LYS A 8 16.940 -12.536 -14.680 1.00 62.23 N ATOM 0 H LYS A 8 15.577 -6.579 -11.606 1.00 51.32 H new ATOM 0 HA LYS A 8 14.100 -8.660 -10.102 1.00 25.40 H new ATOM 0 HB2 LYS A 8 13.790 -9.049 -12.469 1.00 74.45 H new ATOM 0 HB3 LYS A 8 15.486 -8.762 -12.803 1.00 74.45 H new ATOM 0 HG2 LYS A 8 15.967 -10.798 -11.290 1.00 1.33 H new ATOM 0 HG3 LYS A 8 14.250 -11.135 -11.382 1.00 1.33 H new ATOM 0 HD2 LYS A 8 14.710 -12.266 -13.282 1.00 41.04 H new ATOM 0 HD3 LYS A 8 14.901 -10.700 -14.045 1.00 41.04 H new ATOM 0 HE2 LYS A 8 17.294 -10.710 -13.665 1.00 71.33 H new ATOM 0 HE3 LYS A 8 17.185 -12.112 -12.619 1.00 71.33 H new ATOM 0 HZ1 LYS A 8 17.954 -12.719 -14.819 1.00 62.23 H new ATOM 0 HZ2 LYS A 8 16.445 -13.436 -14.515 1.00 62.23 H new ATOM 0 HZ3 LYS A 8 16.551 -12.078 -15.529 1.00 62.23 H new ATOM 135 N PRO A 9 16.179 -9.626 -9.094 1.00 3.14 N ATOM 136 CA PRO A 9 17.361 -10.053 -8.339 1.00 44.01 C ATOM 137 C PRO A 9 18.319 -10.887 -9.184 1.00 55.42 C ATOM 138 O PRO A 9 17.925 -11.462 -10.198 1.00 53.43 O ATOM 139 CB PRO A 9 16.773 -10.898 -7.207 1.00 20.33 C ATOM 140 CG PRO A 9 15.473 -11.393 -7.739 1.00 53.05 C ATOM 141 CD PRO A 9 14.955 -10.307 -8.641 1.00 54.12 C ATOM 0 HA PRO A 9 17.952 -9.205 -7.993 1.00 44.01 H new ATOM 0 HB2 PRO A 9 17.434 -11.724 -6.946 1.00 20.33 H new ATOM 0 HB3 PRO A 9 16.631 -10.305 -6.303 1.00 20.33 H new ATOM 0 HG2 PRO A 9 15.605 -12.326 -8.287 1.00 53.05 H new ATOM 0 HG3 PRO A 9 14.772 -11.596 -6.930 1.00 53.05 H new ATOM 0 HD2 PRO A 9 14.390 -10.716 -9.478 1.00 54.12 H new ATOM 0 HD3 PRO A 9 14.290 -9.626 -8.109 1.00 54.12 H new ATOM 149 N GLU A 10 19.577 -10.948 -8.759 1.00 14.50 N ATOM 150 CA GLU A 10 20.008 -10.254 -7.551 1.00 45.34 C ATOM 151 C GLU A 10 20.368 -8.802 -7.857 1.00 31.42 C ATOM 152 O GLU A 10 21.335 -8.528 -8.566 1.00 54.42 O ATOM 153 CB GLU A 10 21.210 -10.968 -6.928 1.00 53.21 C ATOM 154 CG GLU A 10 21.109 -11.124 -5.420 1.00 65.51 C ATOM 155 CD GLU A 10 21.538 -9.876 -4.674 1.00 42.10 C ATOM 156 OE1 GLU A 10 22.759 -9.627 -4.587 1.00 60.23 O ATOM 157 OE2 GLU A 10 20.654 -9.148 -4.177 1.00 52.10 O ATOM 0 H GLU A 10 20.315 -11.470 -9.232 1.00 14.50 H new ATOM 0 HA GLU A 10 19.180 -10.264 -6.842 1.00 45.34 H new ATOM 0 HB2 GLU A 10 21.311 -11.954 -7.381 1.00 53.21 H new ATOM 0 HB3 GLU A 10 22.117 -10.412 -7.168 1.00 53.21 H new ATOM 0 HG2 GLU A 10 20.081 -11.368 -5.152 1.00 65.51 H new ATOM 0 HG3 GLU A 10 21.728 -11.963 -5.103 1.00 65.51 H new ATOM 164 N ASN A 11 19.581 -7.878 -7.316 1.00 3.32 N ATOM 165 CA ASN A 11 19.815 -6.454 -7.531 1.00 22.31 C ATOM 166 C ASN A 11 20.195 -6.179 -8.983 1.00 4.24 C ATOM 167 O ASN A 11 21.339 -5.834 -9.282 1.00 21.23 O ATOM 168 CB ASN A 11 20.919 -5.951 -6.599 1.00 11.04 C ATOM 169 CG ASN A 11 20.723 -4.501 -6.201 1.00 42.41 C ATOM 170 OD1 ASN A 11 19.603 -3.990 -6.205 1.00 40.04 O ATOM 171 ND2 ASN A 11 21.816 -3.830 -5.855 1.00 53.52 N ATOM 0 H ASN A 11 18.776 -8.089 -6.726 1.00 3.32 H new ATOM 0 HA ASN A 11 18.890 -5.921 -7.309 1.00 22.31 H new ATOM 0 HB2 ASN A 11 20.944 -6.571 -5.703 1.00 11.04 H new ATOM 0 HB3 ASN A 11 21.885 -6.062 -7.091 1.00 11.04 H new ATOM 0 HD21 ASN A 11 21.747 -2.851 -5.578 1.00 53.52 H new ATOM 0 HD22 ASN A 11 22.724 -4.294 -5.866 1.00 53.52 H new ATOM 178 N CYS A 12 19.229 -6.333 -9.881 1.00 54.41 N ATOM 179 CA CYS A 12 19.460 -6.101 -11.302 1.00 2.34 C ATOM 180 C CYS A 12 18.305 -5.320 -11.921 1.00 14.33 C ATOM 181 O CYS A 12 17.136 -5.631 -11.689 1.00 42.51 O ATOM 182 CB CYS A 12 19.641 -7.432 -12.034 1.00 40.32 C ATOM 183 SG CYS A 12 21.358 -7.778 -12.534 1.00 42.22 S ATOM 0 H CYS A 12 18.277 -6.618 -9.650 1.00 54.41 H new ATOM 0 HA CYS A 12 20.370 -5.510 -11.405 1.00 2.34 H new ATOM 0 HB2 CYS A 12 19.292 -8.239 -11.390 1.00 40.32 H new ATOM 0 HB3 CYS A 12 19.008 -7.436 -12.921 1.00 40.32 H new ATOM 188 N VAL A 13 18.640 -4.304 -12.710 1.00 12.34 N ATOM 189 CA VAL A 13 17.631 -3.479 -13.364 1.00 3.53 C ATOM 190 C VAL A 13 16.904 -4.259 -14.453 1.00 23.33 C ATOM 191 O VAL A 13 17.363 -5.318 -14.884 1.00 13.44 O ATOM 192 CB VAL A 13 18.256 -2.214 -13.984 1.00 20.54 C ATOM 193 CG1 VAL A 13 18.769 -1.284 -12.896 1.00 2.35 C ATOM 194 CG2 VAL A 13 19.373 -2.590 -14.946 1.00 53.20 C ATOM 0 H VAL A 13 19.602 -4.032 -12.912 1.00 12.34 H new ATOM 0 HA VAL A 13 16.917 -3.184 -12.595 1.00 3.53 H new ATOM 0 HB VAL A 13 17.485 -1.686 -14.546 1.00 20.54 H new ATOM 0 HG11 VAL A 13 19.207 -0.396 -13.353 1.00 2.35 H new ATOM 0 HG12 VAL A 13 17.942 -0.989 -12.250 1.00 2.35 H new ATOM 0 HG13 VAL A 13 19.526 -1.799 -12.305 1.00 2.35 H new ATOM 0 HG21 VAL A 13 19.804 -1.685 -15.375 1.00 53.20 H new ATOM 0 HG22 VAL A 13 20.146 -3.140 -14.409 1.00 53.20 H new ATOM 0 HG23 VAL A 13 18.971 -3.214 -15.744 1.00 53.20 H new ATOM 204 N TYR A 14 15.769 -3.730 -14.894 1.00 73.12 N ATOM 205 CA TYR A 14 14.976 -4.378 -15.932 1.00 63.34 C ATOM 206 C TYR A 14 14.723 -3.427 -17.098 1.00 65.33 C ATOM 207 O TYR A 14 13.913 -2.507 -16.998 1.00 32.24 O ATOM 208 CB TYR A 14 13.644 -4.864 -15.358 1.00 64.31 C ATOM 209 CG TYR A 14 13.396 -6.340 -15.571 1.00 72.40 C ATOM 210 CD1 TYR A 14 13.646 -6.937 -16.801 1.00 4.41 C ATOM 211 CD2 TYR A 14 12.909 -7.139 -14.543 1.00 44.42 C ATOM 212 CE1 TYR A 14 13.420 -8.285 -17.000 1.00 41.24 C ATOM 213 CE2 TYR A 14 12.682 -8.488 -14.733 1.00 55.22 C ATOM 214 CZ TYR A 14 12.938 -9.056 -15.964 1.00 22.15 C ATOM 215 OH TYR A 14 12.711 -10.399 -16.157 1.00 62.52 O ATOM 0 H TYR A 14 15.377 -2.854 -14.549 1.00 73.12 H new ATOM 0 HA TYR A 14 15.539 -5.235 -16.301 1.00 63.34 H new ATOM 0 HB2 TYR A 14 13.619 -4.650 -14.289 1.00 64.31 H new ATOM 0 HB3 TYR A 14 12.833 -4.298 -15.815 1.00 64.31 H new ATOM 0 HD1 TYR A 14 14.024 -6.336 -17.615 1.00 4.41 H new ATOM 0 HD2 TYR A 14 12.705 -6.697 -13.579 1.00 44.42 H new ATOM 0 HE1 TYR A 14 13.620 -8.733 -17.962 1.00 41.24 H new ATOM 0 HE2 TYR A 14 12.306 -9.095 -13.923 1.00 55.22 H new ATOM 0 HH TYR A 14 12.373 -10.796 -15.327 1.00 62.52 H new ATOM 225 N GLU A 15 15.424 -3.658 -18.204 1.00 71.24 N ATOM 226 CA GLU A 15 15.276 -2.822 -19.390 1.00 32.21 C ATOM 227 C GLU A 15 13.830 -2.822 -19.878 1.00 41.22 C ATOM 228 O GLU A 15 13.123 -3.823 -19.760 1.00 55.41 O ATOM 229 CB GLU A 15 16.202 -3.312 -20.505 1.00 42.51 C ATOM 230 CG GLU A 15 15.913 -4.733 -20.957 1.00 31.12 C ATOM 231 CD GLU A 15 16.904 -5.229 -21.992 1.00 33.42 C ATOM 232 OE1 GLU A 15 18.120 -5.034 -21.791 1.00 44.40 O ATOM 233 OE2 GLU A 15 16.461 -5.814 -23.003 1.00 25.20 O ATOM 0 H GLU A 15 16.099 -4.416 -18.303 1.00 71.24 H new ATOM 0 HA GLU A 15 15.551 -1.802 -19.121 1.00 32.21 H new ATOM 0 HB2 GLU A 15 16.112 -2.643 -21.360 1.00 42.51 H new ATOM 0 HB3 GLU A 15 17.234 -3.252 -20.161 1.00 42.51 H new ATOM 0 HG2 GLU A 15 15.934 -5.397 -20.092 1.00 31.12 H new ATOM 0 HG3 GLU A 15 14.906 -4.781 -21.371 1.00 31.12 H new ATOM 240 N CYS A 16 13.397 -1.691 -20.427 1.00 25.52 N ATOM 241 CA CYS A 16 12.037 -1.558 -20.933 1.00 33.24 C ATOM 242 C CYS A 16 12.028 -0.880 -22.299 1.00 44.44 C ATOM 243 O CYS A 16 13.054 -0.384 -22.764 1.00 53.42 O ATOM 244 CB CYS A 16 11.181 -0.758 -19.949 1.00 34.34 C ATOM 245 SG CYS A 16 9.449 -1.314 -19.848 1.00 14.41 S ATOM 0 H CYS A 16 13.970 -0.853 -20.532 1.00 25.52 H new ATOM 0 HA CYS A 16 11.617 -2.558 -21.041 1.00 33.24 H new ATOM 0 HB2 CYS A 16 11.630 -0.822 -18.958 1.00 34.34 H new ATOM 0 HB3 CYS A 16 11.198 0.292 -20.240 1.00 34.34 H new ATOM 250 N GLY A 17 10.862 -0.862 -22.938 1.00 43.12 N ATOM 251 CA GLY A 17 10.742 -0.242 -24.245 1.00 33.02 C ATOM 252 C GLY A 17 10.823 -1.250 -25.374 1.00 45.43 C ATOM 253 O GLY A 17 10.377 -0.979 -26.490 1.00 5.03 O ATOM 0 H GLY A 17 9.999 -1.265 -22.574 1.00 43.12 H new ATOM 0 HA2 GLY A 17 9.793 0.291 -24.305 1.00 33.02 H new ATOM 0 HA3 GLY A 17 11.532 0.499 -24.366 1.00 33.02 H new ATOM 257 N ILE A 18 11.396 -2.414 -25.086 1.00 51.43 N ATOM 258 CA ILE A 18 11.535 -3.464 -26.087 1.00 70.30 C ATOM 259 C ILE A 18 10.218 -4.204 -26.295 1.00 15.44 C ATOM 260 O ILE A 18 9.866 -4.567 -27.418 1.00 23.24 O ATOM 261 CB ILE A 18 12.623 -4.479 -25.690 1.00 63.22 C ATOM 262 CG1 ILE A 18 13.967 -3.772 -25.503 1.00 0.11 C ATOM 263 CG2 ILE A 18 12.736 -5.573 -26.742 1.00 2.13 C ATOM 264 CD1 ILE A 18 14.439 -3.035 -26.737 1.00 22.22 C ATOM 0 H ILE A 18 11.771 -2.653 -24.168 1.00 51.43 H new ATOM 0 HA ILE A 18 11.826 -2.976 -27.017 1.00 70.30 H new ATOM 0 HB ILE A 18 12.341 -4.940 -24.743 1.00 63.22 H new ATOM 0 HG12 ILE A 18 13.885 -3.066 -24.677 1.00 0.11 H new ATOM 0 HG13 ILE A 18 14.719 -4.508 -25.219 1.00 0.11 H new ATOM 0 HG21 ILE A 18 13.509 -6.283 -26.447 1.00 2.13 H new ATOM 0 HG22 ILE A 18 11.782 -6.092 -26.831 1.00 2.13 H new ATOM 0 HG23 ILE A 18 12.998 -5.129 -27.702 1.00 2.13 H new ATOM 0 HD11 ILE A 18 15.397 -2.558 -26.532 1.00 22.22 H new ATOM 0 HD12 ILE A 18 14.554 -3.740 -27.560 1.00 22.22 H new ATOM 0 HD13 ILE A 18 13.707 -2.275 -27.009 1.00 22.22 H new ATOM 276 N THR A 19 9.490 -4.422 -25.204 1.00 35.22 N ATOM 277 CA THR A 19 8.210 -5.117 -25.265 1.00 61.45 C ATOM 278 C THR A 19 7.068 -4.206 -24.832 1.00 54.25 C ATOM 279 O THR A 19 5.919 -4.405 -25.228 1.00 24.01 O ATOM 280 CB THR A 19 8.212 -6.377 -24.378 1.00 54.52 C ATOM 281 OG1 THR A 19 8.695 -6.053 -23.070 1.00 24.32 O ATOM 282 CG2 THR A 19 9.077 -7.468 -24.989 1.00 62.12 C ATOM 0 H THR A 19 9.765 -4.127 -24.267 1.00 35.22 H new ATOM 0 HA THR A 19 8.060 -5.413 -26.303 1.00 61.45 H new ATOM 0 HB THR A 19 7.189 -6.746 -24.306 1.00 54.52 H new ATOM 0 HG1 THR A 19 8.692 -6.858 -22.511 1.00 24.32 H new ATOM 0 HG21 THR A 19 9.063 -8.347 -24.345 1.00 62.12 H new ATOM 0 HG22 THR A 19 8.688 -7.732 -25.973 1.00 62.12 H new ATOM 0 HG23 THR A 19 10.101 -7.108 -25.088 1.00 62.12 H new ATOM 290 N GLN A 20 7.391 -3.206 -24.019 1.00 54.50 N ATOM 291 CA GLN A 20 6.390 -2.263 -23.533 1.00 33.31 C ATOM 292 C GLN A 20 5.235 -2.996 -22.857 1.00 4.20 C ATOM 293 O GLN A 20 4.135 -3.078 -23.403 1.00 12.23 O ATOM 294 CB GLN A 20 5.861 -1.408 -24.686 1.00 3.02 C ATOM 295 CG GLN A 20 5.166 -0.135 -24.230 1.00 61.22 C ATOM 296 CD GLN A 20 4.002 0.246 -25.123 1.00 71.33 C ATOM 297 OE1 GLN A 20 3.326 -0.618 -25.683 1.00 55.30 O ATOM 298 NE2 GLN A 20 3.761 1.544 -25.261 1.00 44.34 N ATOM 0 H GLN A 20 8.337 -3.027 -23.683 1.00 54.50 H new ATOM 0 HA GLN A 20 6.866 -1.614 -22.798 1.00 33.31 H new ATOM 0 HB2 GLN A 20 6.690 -1.144 -25.342 1.00 3.02 H new ATOM 0 HB3 GLN A 20 5.163 -2.001 -25.277 1.00 3.02 H new ATOM 0 HG2 GLN A 20 4.808 -0.267 -23.209 1.00 61.22 H new ATOM 0 HG3 GLN A 20 5.888 0.682 -24.212 1.00 61.22 H new ATOM 0 HE21 GLN A 20 4.347 2.226 -24.778 1.00 44.34 H new ATOM 0 HE22 GLN A 20 2.990 1.860 -25.850 1.00 44.34 H new ATOM 307 N ASP A 21 5.494 -3.527 -21.667 1.00 42.12 N ATOM 308 CA ASP A 21 4.476 -4.252 -20.916 1.00 63.50 C ATOM 309 C ASP A 21 4.677 -4.072 -19.415 1.00 25.44 C ATOM 310 O ASP A 21 4.230 -4.894 -18.614 1.00 75.14 O ATOM 311 CB ASP A 21 4.511 -5.739 -21.273 1.00 65.31 C ATOM 312 CG ASP A 21 3.244 -6.198 -21.966 1.00 72.33 C ATOM 313 OD1 ASP A 21 2.876 -5.590 -22.992 1.00 55.35 O ATOM 314 OD2 ASP A 21 2.619 -7.166 -21.482 1.00 43.31 O ATOM 0 H ASP A 21 6.400 -3.469 -21.202 1.00 42.12 H new ATOM 0 HA ASP A 21 3.502 -3.844 -21.185 1.00 63.50 H new ATOM 0 HB2 ASP A 21 5.366 -5.934 -21.920 1.00 65.31 H new ATOM 0 HB3 ASP A 21 4.657 -6.324 -20.365 1.00 65.31 H new ATOM 319 N CYS A 22 5.355 -2.993 -19.039 1.00 11.31 N ATOM 320 CA CYS A 22 5.617 -2.705 -17.634 1.00 45.51 C ATOM 321 C CYS A 22 4.323 -2.714 -16.826 1.00 2.42 C ATOM 322 O CYS A 22 4.232 -3.368 -15.788 1.00 71.44 O ATOM 323 CB CYS A 22 6.312 -1.349 -17.491 1.00 55.41 C ATOM 324 SG CYS A 22 7.582 -1.297 -16.186 1.00 72.44 S ATOM 0 H CYS A 22 5.733 -2.303 -19.688 1.00 11.31 H new ATOM 0 HA CYS A 22 6.272 -3.484 -17.245 1.00 45.51 H new ATOM 0 HB2 CYS A 22 6.774 -1.088 -18.443 1.00 55.41 H new ATOM 0 HB3 CYS A 22 5.560 -0.588 -17.282 1.00 55.41 H new ATOM 329 N ASN A 23 3.325 -1.982 -17.310 1.00 13.22 N ATOM 330 CA ASN A 23 2.035 -1.905 -16.633 1.00 23.14 C ATOM 331 C ASN A 23 1.494 -3.300 -16.334 1.00 11.21 C ATOM 332 O ASN A 23 0.915 -3.540 -15.274 1.00 51.41 O ATOM 333 CB ASN A 23 1.032 -1.129 -17.488 1.00 0.30 C ATOM 334 CG ASN A 23 0.077 -0.300 -16.650 1.00 64.13 C ATOM 335 OD1 ASN A 23 -0.184 0.864 -16.955 1.00 65.21 O ATOM 336 ND2 ASN A 23 -0.449 -0.898 -15.588 1.00 22.03 N ATOM 0 H ASN A 23 3.384 -1.434 -18.168 1.00 13.22 H new ATOM 0 HA ASN A 23 2.179 -1.380 -15.689 1.00 23.14 H new ATOM 0 HB2 ASN A 23 1.572 -0.475 -18.173 1.00 0.30 H new ATOM 0 HB3 ASN A 23 0.462 -1.829 -18.099 1.00 0.30 H new ATOM 0 HD21 ASN A 23 -1.098 -0.391 -14.987 1.00 22.03 H new ATOM 0 HD22 ASN A 23 -0.204 -1.865 -15.373 1.00 22.03 H new ATOM 343 N LYS A 24 1.687 -4.217 -17.275 1.00 74.43 N ATOM 344 CA LYS A 24 1.220 -5.589 -17.114 1.00 63.40 C ATOM 345 C LYS A 24 2.001 -6.304 -16.016 1.00 24.10 C ATOM 346 O LYS A 24 1.417 -6.844 -15.075 1.00 64.25 O ATOM 347 CB LYS A 24 1.357 -6.355 -18.432 1.00 52.43 C ATOM 348 CG LYS A 24 0.332 -7.463 -18.601 1.00 51.23 C ATOM 349 CD LYS A 24 -0.358 -7.383 -19.953 1.00 22.21 C ATOM 350 CE LYS A 24 -1.678 -6.634 -19.862 1.00 11.45 C ATOM 351 NZ LYS A 24 -2.124 -6.131 -21.191 1.00 4.14 N ATOM 0 H LYS A 24 2.164 -4.035 -18.158 1.00 74.43 H new ATOM 0 HA LYS A 24 0.169 -5.557 -16.827 1.00 63.40 H new ATOM 0 HB2 LYS A 24 1.262 -5.654 -19.261 1.00 52.43 H new ATOM 0 HB3 LYS A 24 2.357 -6.785 -18.491 1.00 52.43 H new ATOM 0 HG2 LYS A 24 0.821 -8.431 -18.498 1.00 51.23 H new ATOM 0 HG3 LYS A 24 -0.412 -7.396 -17.807 1.00 51.23 H new ATOM 0 HD2 LYS A 24 0.296 -6.884 -20.667 1.00 22.21 H new ATOM 0 HD3 LYS A 24 -0.535 -8.389 -20.332 1.00 22.21 H new ATOM 0 HE2 LYS A 24 -2.441 -7.293 -19.448 1.00 11.45 H new ATOM 0 HE3 LYS A 24 -1.573 -5.796 -19.173 1.00 11.45 H new ATOM 0 HZ1 LYS A 24 -3.027 -5.626 -21.086 1.00 4.14 H new ATOM 0 HZ2 LYS A 24 -1.408 -5.482 -21.575 1.00 4.14 H new ATOM 0 HZ3 LYS A 24 -2.249 -6.933 -21.842 1.00 4.14 H new ATOM 365 N LEU A 25 3.324 -6.303 -16.140 1.00 50.55 N ATOM 366 CA LEU A 25 4.186 -6.950 -15.157 1.00 52.43 C ATOM 367 C LEU A 25 3.884 -6.442 -13.751 1.00 4.21 C ATOM 368 O LEU A 25 3.728 -7.227 -12.816 1.00 35.52 O ATOM 369 CB LEU A 25 5.656 -6.701 -15.497 1.00 64.52 C ATOM 370 CG LEU A 25 6.676 -7.521 -14.705 1.00 71.25 C ATOM 371 CD1 LEU A 25 6.823 -8.912 -15.304 1.00 1.34 C ATOM 372 CD2 LEU A 25 8.020 -6.809 -14.669 1.00 63.13 C ATOM 0 H LEU A 25 3.823 -5.861 -16.912 1.00 50.55 H new ATOM 0 HA LEU A 25 3.989 -8.022 -15.186 1.00 52.43 H new ATOM 0 HB2 LEU A 25 5.802 -6.903 -16.558 1.00 64.52 H new ATOM 0 HB3 LEU A 25 5.870 -5.644 -15.342 1.00 64.52 H new ATOM 0 HG LEU A 25 6.315 -7.625 -13.682 1.00 71.25 H new ATOM 0 HD11 LEU A 25 7.553 -9.481 -14.728 1.00 1.34 H new ATOM 0 HD12 LEU A 25 5.861 -9.423 -15.277 1.00 1.34 H new ATOM 0 HD13 LEU A 25 7.161 -8.829 -16.337 1.00 1.34 H new ATOM 0 HD21 LEU A 25 8.733 -7.407 -14.101 1.00 63.13 H new ATOM 0 HD22 LEU A 25 8.388 -6.674 -15.686 1.00 63.13 H new ATOM 0 HD23 LEU A 25 7.903 -5.835 -14.193 1.00 63.13 H new ATOM 384 N CYS A 26 3.803 -5.123 -13.608 1.00 72.25 N ATOM 385 CA CYS A 26 3.518 -4.509 -12.317 1.00 63.12 C ATOM 386 C CYS A 26 2.169 -4.976 -11.778 1.00 64.50 C ATOM 387 O CYS A 26 2.080 -5.505 -10.669 1.00 51.03 O ATOM 388 CB CYS A 26 3.530 -2.984 -12.440 1.00 60.24 C ATOM 389 SG CYS A 26 5.143 -2.290 -12.923 1.00 45.40 S ATOM 0 H CYS A 26 3.931 -4.459 -14.371 1.00 72.25 H new ATOM 0 HA CYS A 26 4.295 -4.817 -11.617 1.00 63.12 H new ATOM 0 HB2 CYS A 26 2.783 -2.684 -13.174 1.00 60.24 H new ATOM 0 HB3 CYS A 26 3.231 -2.551 -11.485 1.00 60.24 H new ATOM 394 N THR A 27 1.121 -4.778 -12.571 1.00 35.33 N ATOM 395 CA THR A 27 -0.224 -5.178 -12.174 1.00 3.11 C ATOM 396 C THR A 27 -0.263 -6.647 -11.767 1.00 52.54 C ATOM 397 O THR A 27 -0.736 -6.987 -10.683 1.00 42.24 O ATOM 398 CB THR A 27 -1.238 -4.944 -13.310 1.00 5.03 C ATOM 399 OG1 THR A 27 -0.746 -5.511 -14.529 1.00 74.24 O ATOM 400 CG2 THR A 27 -1.499 -3.458 -13.505 1.00 25.04 C ATOM 0 H THR A 27 1.177 -4.343 -13.492 1.00 35.33 H new ATOM 0 HA THR A 27 -0.499 -4.560 -11.319 1.00 3.11 H new ATOM 0 HB THR A 27 -2.175 -5.428 -13.036 1.00 5.03 H new ATOM 0 HG1 THR A 27 -0.071 -4.916 -14.917 1.00 74.24 H new ATOM 0 HG21 THR A 27 -2.218 -3.318 -14.312 1.00 25.04 H new ATOM 0 HG22 THR A 27 -1.900 -3.035 -12.584 1.00 25.04 H new ATOM 0 HG23 THR A 27 -0.566 -2.955 -13.759 1.00 25.04 H new ATOM 408 N GLU A 28 0.237 -7.512 -12.644 1.00 31.23 N ATOM 409 CA GLU A 28 0.258 -8.945 -12.374 1.00 72.11 C ATOM 410 C GLU A 28 0.943 -9.238 -11.042 1.00 74.23 C ATOM 411 O GLU A 28 0.468 -10.056 -10.255 1.00 63.24 O ATOM 412 CB GLU A 28 0.975 -9.688 -13.503 1.00 73.51 C ATOM 413 CG GLU A 28 0.073 -10.636 -14.276 1.00 62.33 C ATOM 414 CD GLU A 28 -0.241 -11.903 -13.504 1.00 14.43 C ATOM 415 OE1 GLU A 28 0.692 -12.694 -13.255 1.00 52.02 O ATOM 416 OE2 GLU A 28 -1.422 -12.101 -13.147 1.00 62.53 O ATOM 0 H GLU A 28 0.632 -7.246 -13.546 1.00 31.23 H new ATOM 0 HA GLU A 28 -0.773 -9.293 -12.317 1.00 72.11 H new ATOM 0 HB2 GLU A 28 1.400 -8.960 -14.194 1.00 73.51 H new ATOM 0 HB3 GLU A 28 1.808 -10.253 -13.084 1.00 73.51 H new ATOM 0 HG2 GLU A 28 -0.858 -10.125 -14.523 1.00 62.33 H new ATOM 0 HG3 GLU A 28 0.552 -10.899 -15.219 1.00 62.33 H new ATOM 423 N ASN A 29 2.062 -8.564 -10.798 1.00 15.21 N ATOM 424 CA ASN A 29 2.813 -8.752 -9.562 1.00 61.23 C ATOM 425 C ASN A 29 1.995 -8.305 -8.355 1.00 2.24 C ATOM 426 O ASN A 29 2.233 -8.748 -7.232 1.00 31.21 O ATOM 427 CB ASN A 29 4.129 -7.974 -9.618 1.00 2.13 C ATOM 428 CG ASN A 29 5.307 -8.855 -9.986 1.00 70.23 C ATOM 429 OD1 ASN A 29 5.958 -9.435 -9.118 1.00 24.25 O ATOM 430 ND2 ASN A 29 5.586 -8.959 -11.281 1.00 34.44 N ATOM 0 H ASN A 29 2.469 -7.883 -11.439 1.00 15.21 H new ATOM 0 HA ASN A 29 3.031 -9.815 -9.456 1.00 61.23 H new ATOM 0 HB2 ASN A 29 4.040 -7.168 -10.346 1.00 2.13 H new ATOM 0 HB3 ASN A 29 4.315 -7.510 -8.649 1.00 2.13 H new ATOM 0 HD21 ASN A 29 6.367 -9.538 -11.590 1.00 34.44 H new ATOM 0 HD22 ASN A 29 5.019 -8.460 -11.967 1.00 34.44 H new ATOM 437 N GLY A 30 1.029 -7.423 -8.594 1.00 43.04 N ATOM 438 CA GLY A 30 0.190 -6.930 -7.517 1.00 64.45 C ATOM 439 C GLY A 30 0.269 -5.424 -7.364 1.00 30.52 C ATOM 440 O GLY A 30 -0.352 -4.852 -6.469 1.00 21.02 O ATOM 0 H GLY A 30 0.812 -7.041 -9.515 1.00 43.04 H new ATOM 0 HA2 GLY A 30 -0.844 -7.219 -7.704 1.00 64.45 H new ATOM 0 HA3 GLY A 30 0.489 -7.403 -6.582 1.00 64.45 H new ATOM 444 N ALA A 31 1.036 -4.781 -8.238 1.00 72.21 N ATOM 445 CA ALA A 31 1.193 -3.333 -8.196 1.00 1.34 C ATOM 446 C ALA A 31 -0.031 -2.630 -8.773 1.00 32.44 C ATOM 447 O ALA A 31 -0.830 -3.240 -9.483 1.00 22.10 O ATOM 448 CB ALA A 31 2.447 -2.916 -8.949 1.00 43.33 C ATOM 0 H ALA A 31 1.558 -5.240 -8.984 1.00 72.21 H new ATOM 0 HA ALA A 31 1.292 -3.034 -7.153 1.00 1.34 H new ATOM 0 HB1 ALA A 31 2.552 -1.832 -8.909 1.00 43.33 H new ATOM 0 HB2 ALA A 31 3.319 -3.382 -8.490 1.00 43.33 H new ATOM 0 HB3 ALA A 31 2.370 -3.235 -9.988 1.00 43.33 H new ATOM 454 N GLU A 32 -0.172 -1.346 -8.462 1.00 12.43 N ATOM 455 CA GLU A 32 -1.301 -0.562 -8.949 1.00 52.20 C ATOM 456 C GLU A 32 -1.148 -0.253 -10.436 1.00 21.24 C ATOM 457 O GLU A 32 -2.033 -0.553 -11.237 1.00 41.41 O ATOM 458 CB GLU A 32 -1.426 0.741 -8.157 1.00 1.23 C ATOM 459 CG GLU A 32 -2.761 1.442 -8.344 1.00 41.12 C ATOM 460 CD GLU A 32 -3.067 2.423 -7.229 1.00 5.10 C ATOM 461 OE1 GLU A 32 -3.311 1.969 -6.091 1.00 55.44 O ATOM 462 OE2 GLU A 32 -3.061 3.643 -7.493 1.00 51.43 O ATOM 0 H GLU A 32 0.481 -0.826 -7.875 1.00 12.43 H new ATOM 0 HA GLU A 32 -2.207 -1.152 -8.809 1.00 52.20 H new ATOM 0 HB2 GLU A 32 -1.283 0.527 -7.098 1.00 1.23 H new ATOM 0 HB3 GLU A 32 -0.625 1.417 -8.457 1.00 1.23 H new ATOM 0 HG2 GLU A 32 -2.759 1.971 -9.297 1.00 41.12 H new ATOM 0 HG3 GLU A 32 -3.555 0.696 -8.395 1.00 41.12 H new ATOM 469 N SER A 33 -0.018 0.348 -10.796 1.00 34.02 N ATOM 470 CA SER A 33 0.250 0.702 -12.185 1.00 30.32 C ATOM 471 C SER A 33 1.736 0.564 -12.503 1.00 13.30 C ATOM 472 O SER A 33 2.513 0.069 -11.688 1.00 44.43 O ATOM 473 CB SER A 33 -0.214 2.132 -12.468 1.00 23.13 C ATOM 474 OG SER A 33 -1.622 2.244 -12.352 1.00 5.04 O ATOM 0 H SER A 33 0.726 0.600 -10.145 1.00 34.02 H new ATOM 0 HA SER A 33 -0.306 0.015 -12.823 1.00 30.32 H new ATOM 0 HB2 SER A 33 0.267 2.818 -11.771 1.00 23.13 H new ATOM 0 HB3 SER A 33 0.096 2.426 -13.471 1.00 23.13 H new ATOM 0 HG SER A 33 -1.893 3.168 -12.536 1.00 5.04 H new ATOM 480 N GLY A 34 2.123 1.007 -13.696 1.00 34.23 N ATOM 481 CA GLY A 34 3.513 0.925 -14.102 1.00 64.30 C ATOM 482 C GLY A 34 3.729 1.391 -15.528 1.00 43.20 C ATOM 483 O GLY A 34 2.770 1.612 -16.268 1.00 65.43 O ATOM 0 H GLY A 34 1.498 1.421 -14.388 1.00 34.23 H new ATOM 0 HA2 GLY A 34 4.121 1.530 -13.429 1.00 64.30 H new ATOM 0 HA3 GLY A 34 3.857 -0.105 -14.003 1.00 64.30 H new ATOM 487 N TYR A 35 4.991 1.544 -15.914 1.00 61.31 N ATOM 488 CA TYR A 35 5.330 1.991 -17.260 1.00 12.32 C ATOM 489 C TYR A 35 6.839 1.957 -17.482 1.00 11.15 C ATOM 490 O TYR A 35 7.613 1.774 -16.541 1.00 73.14 O ATOM 491 CB TYR A 35 4.800 3.406 -17.498 1.00 1.44 C ATOM 492 CG TYR A 35 4.995 4.332 -16.318 1.00 42.23 C ATOM 493 CD1 TYR A 35 6.267 4.611 -15.832 1.00 34.11 C ATOM 494 CD2 TYR A 35 3.908 4.927 -15.690 1.00 5.43 C ATOM 495 CE1 TYR A 35 6.450 5.456 -14.754 1.00 71.41 C ATOM 496 CE2 TYR A 35 4.082 5.774 -14.612 1.00 44.54 C ATOM 497 CZ TYR A 35 5.355 6.035 -14.148 1.00 52.32 C ATOM 498 OH TYR A 35 5.532 6.877 -13.074 1.00 40.44 O ATOM 0 H TYR A 35 5.796 1.365 -15.314 1.00 61.31 H new ATOM 0 HA TYR A 35 4.861 1.310 -17.970 1.00 12.32 H new ATOM 0 HB2 TYR A 35 5.300 3.830 -18.369 1.00 1.44 H new ATOM 0 HB3 TYR A 35 3.737 3.352 -17.735 1.00 1.44 H new ATOM 0 HD1 TYR A 35 7.127 4.160 -16.305 1.00 34.11 H new ATOM 0 HD2 TYR A 35 2.910 4.724 -16.050 1.00 5.43 H new ATOM 0 HE1 TYR A 35 7.445 5.662 -14.388 1.00 71.41 H new ATOM 0 HE2 TYR A 35 3.226 6.229 -14.135 1.00 44.54 H new ATOM 0 HH TYR A 35 5.912 6.374 -12.324 1.00 40.44 H new ATOM 508 N CYS A 36 7.251 2.136 -18.732 1.00 74.43 N ATOM 509 CA CYS A 36 8.666 2.126 -19.081 1.00 21.13 C ATOM 510 C CYS A 36 9.282 3.509 -18.893 1.00 1.43 C ATOM 511 O CYS A 36 9.022 4.426 -19.672 1.00 31.14 O ATOM 512 CB CYS A 36 8.854 1.664 -20.527 1.00 53.43 C ATOM 513 SG CYS A 36 8.286 -0.037 -20.844 1.00 64.43 S ATOM 0 H CYS A 36 6.624 2.290 -19.521 1.00 74.43 H new ATOM 0 HA CYS A 36 9.173 1.428 -18.415 1.00 21.13 H new ATOM 0 HB2 CYS A 36 8.316 2.344 -21.187 1.00 53.43 H new ATOM 0 HB3 CYS A 36 9.910 1.737 -20.786 1.00 53.43 H new ATOM 518 N GLN A 37 10.099 3.651 -17.854 1.00 63.01 N ATOM 519 CA GLN A 37 10.752 4.922 -17.564 1.00 13.32 C ATOM 520 C GLN A 37 11.965 5.130 -18.464 1.00 61.52 C ATOM 521 O GLN A 37 13.098 4.853 -18.069 1.00 14.22 O ATOM 522 CB GLN A 37 11.176 4.978 -16.095 1.00 51.32 C ATOM 523 CG GLN A 37 10.261 5.830 -15.230 1.00 21.33 C ATOM 524 CD GLN A 37 10.304 7.298 -15.604 1.00 4.34 C ATOM 525 OE1 GLN A 37 11.345 7.947 -15.497 1.00 44.43 O ATOM 526 NE2 GLN A 37 9.171 7.831 -16.045 1.00 32.22 N ATOM 0 H GLN A 37 10.324 2.902 -17.199 1.00 63.01 H new ATOM 0 HA GLN A 37 10.037 5.721 -17.760 1.00 13.32 H new ATOM 0 HB2 GLN A 37 11.202 3.965 -15.694 1.00 51.32 H new ATOM 0 HB3 GLN A 37 12.191 5.371 -16.033 1.00 51.32 H new ATOM 0 HG2 GLN A 37 9.238 5.466 -15.322 1.00 21.33 H new ATOM 0 HG3 GLN A 37 10.547 5.717 -14.184 1.00 21.33 H new ATOM 0 HE21 GLN A 37 8.331 7.256 -16.118 1.00 32.22 H new ATOM 0 HE22 GLN A 37 9.140 8.815 -16.311 1.00 32.22 H new ATOM 535 N TRP A 38 11.720 5.617 -19.675 1.00 64.41 N ATOM 536 CA TRP A 38 12.794 5.860 -20.632 1.00 11.40 C ATOM 537 C TRP A 38 13.423 7.231 -20.407 1.00 13.00 C ATOM 538 O TRP A 38 13.048 8.210 -21.051 1.00 71.33 O ATOM 539 CB TRP A 38 12.263 5.758 -22.063 1.00 33.14 C ATOM 540 CG TRP A 38 12.635 4.476 -22.744 1.00 71.10 C ATOM 541 CD1 TRP A 38 12.906 3.279 -22.146 1.00 31.51 C ATOM 542 CD2 TRP A 38 12.779 4.265 -24.153 1.00 32.32 C ATOM 543 NE1 TRP A 38 13.210 2.335 -23.098 1.00 13.50 N ATOM 544 CE2 TRP A 38 13.138 2.915 -24.337 1.00 51.00 C ATOM 545 CE3 TRP A 38 12.637 5.083 -25.276 1.00 44.34 C ATOM 546 CZ2 TRP A 38 13.358 2.369 -25.599 1.00 12.21 C ATOM 547 CZ3 TRP A 38 12.856 4.540 -26.528 1.00 44.20 C ATOM 548 CH2 TRP A 38 13.213 3.194 -26.681 1.00 75.44 C ATOM 0 H TRP A 38 10.788 5.851 -20.018 1.00 64.41 H new ATOM 0 HA TRP A 38 13.560 5.100 -20.481 1.00 11.40 H new ATOM 0 HB2 TRP A 38 11.177 5.851 -22.048 1.00 33.14 H new ATOM 0 HB3 TRP A 38 12.647 6.595 -22.646 1.00 33.14 H new ATOM 0 HD1 TRP A 38 12.885 3.100 -21.081 1.00 31.51 H new ATOM 0 HE1 TRP A 38 13.450 1.361 -22.912 1.00 13.50 H new ATOM 0 HE3 TRP A 38 12.361 6.122 -25.168 1.00 44.34 H new ATOM 0 HZ2 TRP A 38 13.633 1.332 -25.719 1.00 12.21 H new ATOM 0 HZ3 TRP A 38 12.750 5.164 -27.403 1.00 44.20 H new ATOM 0 HH2 TRP A 38 13.377 2.800 -27.673 1.00 75.44 H new ATOM 559 N GLY A 39 14.382 7.294 -19.488 1.00 51.02 N ATOM 560 CA GLY A 39 15.047 8.550 -19.195 1.00 42.03 C ATOM 561 C GLY A 39 14.903 8.958 -17.743 1.00 34.35 C ATOM 562 O GLY A 39 14.350 10.014 -17.439 1.00 1.10 O ATOM 0 H GLY A 39 14.710 6.498 -18.941 1.00 51.02 H new ATOM 0 HA2 GLY A 39 16.105 8.463 -19.441 1.00 42.03 H new ATOM 0 HA3 GLY A 39 14.635 9.333 -19.832 1.00 42.03 H new ATOM 566 N GLY A 40 15.400 8.116 -16.841 1.00 15.22 N ATOM 567 CA GLY A 40 15.311 8.411 -15.423 1.00 3.53 C ATOM 568 C GLY A 40 16.652 8.304 -14.724 1.00 31.35 C ATOM 569 O GLY A 40 17.701 8.449 -15.351 1.00 24.34 O ATOM 0 H GLY A 40 15.862 7.235 -17.067 1.00 15.22 H new ATOM 0 HA2 GLY A 40 14.914 9.417 -15.288 1.00 3.53 H new ATOM 0 HA3 GLY A 40 14.605 7.724 -14.956 1.00 3.53 H new ATOM 573 N LYS A 41 16.619 8.050 -13.420 1.00 34.03 N ATOM 574 CA LYS A 41 17.840 7.923 -12.633 1.00 13.20 C ATOM 575 C LYS A 41 18.800 6.928 -13.276 1.00 45.43 C ATOM 576 O LYS A 41 19.984 7.219 -13.453 1.00 53.35 O ATOM 577 CB LYS A 41 17.508 7.479 -11.207 1.00 20.34 C ATOM 578 CG LYS A 41 18.266 8.248 -10.138 1.00 71.42 C ATOM 579 CD LYS A 41 17.550 8.194 -8.799 1.00 51.11 C ATOM 580 CE LYS A 41 18.215 9.101 -7.775 1.00 32.11 C ATOM 581 NZ LYS A 41 18.631 8.351 -6.557 1.00 54.23 N ATOM 0 H LYS A 41 15.759 7.928 -12.885 1.00 34.03 H new ATOM 0 HA LYS A 41 18.324 8.899 -12.600 1.00 13.20 H new ATOM 0 HB2 LYS A 41 16.438 7.598 -11.038 1.00 20.34 H new ATOM 0 HB3 LYS A 41 17.730 6.417 -11.105 1.00 20.34 H new ATOM 0 HG2 LYS A 41 19.269 7.834 -10.032 1.00 71.42 H new ATOM 0 HG3 LYS A 41 18.381 9.286 -10.448 1.00 71.42 H new ATOM 0 HD2 LYS A 41 16.510 8.492 -8.929 1.00 51.11 H new ATOM 0 HD3 LYS A 41 17.544 7.169 -8.429 1.00 51.11 H new ATOM 0 HE2 LYS A 41 19.087 9.577 -8.224 1.00 32.11 H new ATOM 0 HE3 LYS A 41 17.526 9.897 -7.494 1.00 32.11 H new ATOM 0 HZ1 LYS A 41 19.080 9.004 -5.884 1.00 54.23 H new ATOM 0 HZ2 LYS A 41 17.796 7.917 -6.114 1.00 54.23 H new ATOM 0 HZ3 LYS A 41 19.308 7.607 -6.822 1.00 54.23 H new ATOM 595 N TYR A 42 18.284 5.755 -13.625 1.00 2.30 N ATOM 596 CA TYR A 42 19.097 4.717 -14.248 1.00 11.30 C ATOM 597 C TYR A 42 18.842 4.655 -15.751 1.00 21.41 C ATOM 598 O TYR A 42 19.029 3.615 -16.381 1.00 64.30 O ATOM 599 CB TYR A 42 18.801 3.358 -13.612 1.00 51.01 C ATOM 600 CG TYR A 42 19.212 3.267 -12.160 1.00 31.51 C ATOM 601 CD1 TYR A 42 20.541 3.072 -11.805 1.00 1.02 C ATOM 602 CD2 TYR A 42 18.271 3.374 -11.143 1.00 23.40 C ATOM 603 CE1 TYR A 42 20.921 2.987 -10.479 1.00 43.13 C ATOM 604 CE2 TYR A 42 18.643 3.291 -9.815 1.00 15.30 C ATOM 605 CZ TYR A 42 19.969 3.098 -9.488 1.00 75.22 C ATOM 606 OH TYR A 42 20.342 3.014 -8.166 1.00 62.15 O ATOM 0 H TYR A 42 17.306 5.499 -13.487 1.00 2.30 H new ATOM 0 HA TYR A 42 20.146 4.965 -14.086 1.00 11.30 H new ATOM 0 HB2 TYR A 42 17.733 3.153 -13.692 1.00 51.01 H new ATOM 0 HB3 TYR A 42 19.318 2.582 -14.177 1.00 51.01 H new ATOM 0 HD1 TYR A 42 21.290 2.985 -12.578 1.00 1.02 H new ATOM 0 HD2 TYR A 42 17.232 3.525 -11.395 1.00 23.40 H new ATOM 0 HE1 TYR A 42 21.958 2.834 -10.220 1.00 43.13 H new ATOM 0 HE2 TYR A 42 17.899 3.377 -9.037 1.00 15.30 H new ATOM 0 HH TYR A 42 19.551 3.113 -7.596 1.00 62.15 H new ATOM 616 N GLY A 43 18.414 5.778 -16.319 1.00 74.34 N ATOM 617 CA GLY A 43 18.140 5.831 -17.744 1.00 22.44 C ATOM 618 C GLY A 43 16.843 5.137 -18.111 1.00 42.42 C ATOM 619 O GLY A 43 15.787 5.454 -17.566 1.00 74.05 O ATOM 0 H GLY A 43 18.252 6.652 -15.819 1.00 74.34 H new ATOM 0 HA2 GLY A 43 18.095 6.872 -18.064 1.00 22.44 H new ATOM 0 HA3 GLY A 43 18.963 5.367 -18.287 1.00 22.44 H new ATOM 623 N ASN A 44 16.923 4.190 -19.039 1.00 61.45 N ATOM 624 CA ASN A 44 15.746 3.451 -19.481 1.00 54.11 C ATOM 625 C ASN A 44 15.526 2.211 -18.620 1.00 3.34 C ATOM 626 O ASN A 44 16.224 1.209 -18.768 1.00 22.43 O ATOM 627 CB ASN A 44 15.893 3.046 -20.949 1.00 52.22 C ATOM 628 CG ASN A 44 17.245 2.428 -21.246 1.00 23.55 C ATOM 629 OD1 ASN A 44 17.423 1.214 -21.135 1.00 52.34 O ATOM 630 ND2 ASN A 44 18.207 3.261 -21.624 1.00 1.44 N ATOM 0 H ASN A 44 17.791 3.916 -19.500 1.00 61.45 H new ATOM 0 HA ASN A 44 14.879 4.103 -19.376 1.00 54.11 H new ATOM 0 HB2 ASN A 44 15.107 2.336 -21.207 1.00 52.22 H new ATOM 0 HB3 ASN A 44 15.751 3.923 -21.581 1.00 52.22 H new ATOM 0 HD21 ASN A 44 19.138 2.902 -21.836 1.00 1.44 H new ATOM 0 HD22 ASN A 44 18.015 4.260 -21.703 1.00 1.44 H new ATOM 637 N ALA A 45 14.551 2.288 -17.720 1.00 24.34 N ATOM 638 CA ALA A 45 14.238 1.171 -16.836 1.00 50.52 C ATOM 639 C ALA A 45 12.738 1.082 -16.576 1.00 22.15 C ATOM 640 O ALA A 45 12.019 2.077 -16.677 1.00 64.44 O ATOM 641 CB ALA A 45 14.996 1.308 -15.524 1.00 65.42 C ATOM 0 H ALA A 45 13.965 3.111 -17.584 1.00 24.34 H new ATOM 0 HA ALA A 45 14.551 0.250 -17.329 1.00 50.52 H new ATOM 0 HB1 ALA A 45 14.753 0.468 -14.874 1.00 65.42 H new ATOM 0 HB2 ALA A 45 16.068 1.315 -15.722 1.00 65.42 H new ATOM 0 HB3 ALA A 45 14.711 2.239 -15.035 1.00 65.42 H new ATOM 647 N CYS A 46 12.271 -0.116 -16.239 1.00 43.14 N ATOM 648 CA CYS A 46 10.856 -0.336 -15.965 1.00 65.32 C ATOM 649 C CYS A 46 10.480 0.198 -14.586 1.00 51.44 C ATOM 650 O CYS A 46 11.091 -0.164 -13.581 1.00 32.00 O ATOM 651 CB CYS A 46 10.524 -1.827 -16.054 1.00 65.13 C ATOM 652 SG CYS A 46 9.170 -2.220 -17.208 1.00 45.40 S ATOM 0 H CYS A 46 12.852 -0.949 -16.149 1.00 43.14 H new ATOM 0 HA CYS A 46 10.278 0.204 -16.715 1.00 65.32 H new ATOM 0 HB2 CYS A 46 11.418 -2.370 -16.361 1.00 65.13 H new ATOM 0 HB3 CYS A 46 10.257 -2.189 -15.061 1.00 65.13 H new ATOM 657 N TRP A 47 9.471 1.061 -14.548 1.00 41.23 N ATOM 658 CA TRP A 47 9.013 1.646 -13.293 1.00 73.21 C ATOM 659 C TRP A 47 7.669 1.057 -12.877 1.00 25.33 C ATOM 660 O TRP A 47 6.855 0.685 -13.722 1.00 33.22 O ATOM 661 CB TRP A 47 8.898 3.165 -13.426 1.00 50.22 C ATOM 662 CG TRP A 47 8.266 3.820 -12.235 1.00 72.23 C ATOM 663 CD1 TRP A 47 6.930 3.949 -11.984 1.00 53.33 C ATOM 664 CD2 TRP A 47 8.944 4.436 -11.135 1.00 63.32 C ATOM 665 NE1 TRP A 47 6.737 4.609 -10.794 1.00 74.33 N ATOM 666 CE2 TRP A 47 7.957 4.917 -10.253 1.00 73.15 C ATOM 667 CE3 TRP A 47 10.290 4.626 -10.808 1.00 75.41 C ATOM 668 CZ2 TRP A 47 8.274 5.576 -9.069 1.00 23.02 C ATOM 669 CZ3 TRP A 47 10.603 5.280 -9.632 1.00 40.11 C ATOM 670 CH2 TRP A 47 9.599 5.748 -8.774 1.00 4.24 C ATOM 0 H TRP A 47 8.955 1.371 -15.371 1.00 41.23 H new ATOM 0 HA TRP A 47 9.747 1.411 -12.522 1.00 73.21 H new ATOM 0 HB2 TRP A 47 9.892 3.585 -13.578 1.00 50.22 H new ATOM 0 HB3 TRP A 47 8.313 3.401 -14.315 1.00 50.22 H new ATOM 0 HD1 TRP A 47 6.141 3.586 -12.626 1.00 53.33 H new ATOM 0 HE1 TRP A 47 5.832 4.833 -10.381 1.00 74.33 H new ATOM 0 HE3 TRP A 47 11.071 4.268 -11.463 1.00 75.41 H new ATOM 0 HZ2 TRP A 47 7.502 5.939 -8.407 1.00 23.02 H new ATOM 0 HZ3 TRP A 47 11.639 5.433 -9.370 1.00 40.11 H new ATOM 0 HH2 TRP A 47 9.877 6.255 -7.861 1.00 4.24 H new ATOM 681 N CYS A 48 7.444 0.974 -11.570 1.00 11.52 N ATOM 682 CA CYS A 48 6.199 0.430 -11.041 1.00 1.30 C ATOM 683 C CYS A 48 5.553 1.404 -10.059 1.00 43.15 C ATOM 684 O CYS A 48 6.234 2.006 -9.228 1.00 52.14 O ATOM 685 CB CYS A 48 6.457 -0.911 -10.351 1.00 12.31 C ATOM 686 SG CYS A 48 6.303 -2.355 -11.451 1.00 1.41 S ATOM 0 H CYS A 48 8.108 1.277 -10.857 1.00 11.52 H new ATOM 0 HA CYS A 48 5.515 0.276 -11.876 1.00 1.30 H new ATOM 0 HB2 CYS A 48 7.459 -0.900 -9.922 1.00 12.31 H new ATOM 0 HB3 CYS A 48 5.757 -1.022 -9.523 1.00 12.31 H new ATOM 691 N ILE A 49 4.237 1.553 -10.162 1.00 71.11 N ATOM 692 CA ILE A 49 3.499 2.452 -9.283 1.00 64.21 C ATOM 693 C ILE A 49 2.730 1.674 -8.222 1.00 35.44 C ATOM 694 O ILE A 49 1.908 0.813 -8.540 1.00 4.22 O ATOM 695 CB ILE A 49 2.513 3.330 -10.075 1.00 45.55 C ATOM 696 CG1 ILE A 49 3.215 3.965 -11.278 1.00 51.11 C ATOM 697 CG2 ILE A 49 1.919 4.403 -9.175 1.00 52.24 C ATOM 698 CD1 ILE A 49 2.293 4.788 -12.150 1.00 51.13 C ATOM 0 H ILE A 49 3.660 1.063 -10.845 1.00 71.11 H new ATOM 0 HA ILE A 49 4.235 3.093 -8.798 1.00 64.21 H new ATOM 0 HB ILE A 49 1.702 2.701 -10.441 1.00 45.55 H new ATOM 0 HG12 ILE A 49 4.027 4.599 -10.922 1.00 51.11 H new ATOM 0 HG13 ILE A 49 3.667 3.178 -11.882 1.00 51.11 H new ATOM 0 HG21 ILE A 49 1.224 5.016 -9.749 1.00 52.24 H new ATOM 0 HG22 ILE A 49 1.389 3.931 -8.348 1.00 52.24 H new ATOM 0 HG23 ILE A 49 2.718 5.032 -8.782 1.00 52.24 H new ATOM 0 HD11 ILE A 49 2.858 5.207 -12.983 1.00 51.13 H new ATOM 0 HD12 ILE A 49 1.495 4.154 -12.536 1.00 51.13 H new ATOM 0 HD13 ILE A 49 1.861 5.597 -11.561 1.00 51.13 H new ATOM 710 N LYS A 50 2.999 1.983 -6.958 1.00 31.33 N ATOM 711 CA LYS A 50 2.330 1.316 -5.847 1.00 70.41 C ATOM 712 C LYS A 50 2.678 -0.169 -5.815 1.00 70.22 C ATOM 713 O LYS A 50 1.923 -1.005 -6.314 1.00 62.12 O ATOM 714 CB LYS A 50 0.814 1.493 -5.957 1.00 71.33 C ATOM 715 CG LYS A 50 0.242 2.480 -4.955 1.00 4.04 C ATOM 716 CD LYS A 50 -0.104 3.805 -5.612 1.00 43.42 C ATOM 717 CE LYS A 50 0.336 4.984 -4.757 1.00 31.34 C ATOM 718 NZ LYS A 50 -0.564 5.186 -3.587 1.00 42.34 N ATOM 0 H LYS A 50 3.676 2.692 -6.677 1.00 31.33 H new ATOM 0 HA LYS A 50 2.677 1.773 -4.920 1.00 70.41 H new ATOM 0 HB2 LYS A 50 0.568 1.828 -6.965 1.00 71.33 H new ATOM 0 HB3 LYS A 50 0.333 0.525 -5.816 1.00 71.33 H new ATOM 0 HG2 LYS A 50 -0.651 2.057 -4.495 1.00 4.04 H new ATOM 0 HG3 LYS A 50 0.963 2.647 -4.155 1.00 4.04 H new ATOM 0 HD2 LYS A 50 0.376 3.864 -6.589 1.00 43.42 H new ATOM 0 HD3 LYS A 50 -1.179 3.858 -5.781 1.00 43.42 H new ATOM 0 HE2 LYS A 50 1.355 4.819 -4.407 1.00 31.34 H new ATOM 0 HE3 LYS A 50 0.350 5.889 -5.365 1.00 31.34 H new ATOM 0 HZ1 LYS A 50 -0.231 5.998 -3.029 1.00 42.34 H new ATOM 0 HZ2 LYS A 50 -1.532 5.369 -3.921 1.00 42.34 H new ATOM 0 HZ3 LYS A 50 -0.558 4.332 -2.993 1.00 42.34 H new ATOM 732 N LEU A 51 3.824 -0.491 -5.225 1.00 35.04 N ATOM 733 CA LEU A 51 4.271 -1.876 -5.126 1.00 72.10 C ATOM 734 C LEU A 51 4.212 -2.366 -3.683 1.00 11.13 C ATOM 735 O LEU A 51 4.595 -1.664 -2.747 1.00 1.32 O ATOM 736 CB LEU A 51 5.696 -2.012 -5.665 1.00 30.00 C ATOM 737 CG LEU A 51 6.047 -3.357 -6.303 1.00 10.23 C ATOM 738 CD1 LEU A 51 5.142 -3.635 -7.493 1.00 22.52 C ATOM 739 CD2 LEU A 51 7.509 -3.382 -6.724 1.00 51.43 C ATOM 0 H LEU A 51 4.461 0.188 -4.808 1.00 35.04 H new ATOM 0 HA LEU A 51 3.601 -2.492 -5.726 1.00 72.10 H new ATOM 0 HB2 LEU A 51 5.860 -1.228 -6.404 1.00 30.00 H new ATOM 0 HB3 LEU A 51 6.392 -1.828 -4.846 1.00 30.00 H new ATOM 0 HG LEU A 51 5.890 -4.141 -5.563 1.00 10.23 H new ATOM 0 HD11 LEU A 51 5.406 -4.596 -7.934 1.00 22.52 H new ATOM 0 HD12 LEU A 51 4.104 -3.661 -7.162 1.00 22.52 H new ATOM 0 HD13 LEU A 51 5.267 -2.848 -8.237 1.00 22.52 H new ATOM 0 HD21 LEU A 51 7.741 -4.346 -7.176 1.00 51.43 H new ATOM 0 HD22 LEU A 51 7.693 -2.588 -7.448 1.00 51.43 H new ATOM 0 HD23 LEU A 51 8.142 -3.229 -5.850 1.00 51.43 H new ATOM 751 N PRO A 52 3.723 -3.601 -3.496 1.00 54.31 N ATOM 752 CA PRO A 52 3.605 -4.213 -2.170 1.00 34.44 C ATOM 753 C PRO A 52 4.963 -4.554 -1.566 1.00 33.33 C ATOM 754 O PRO A 52 5.939 -4.763 -2.287 1.00 14.52 O ATOM 755 CB PRO A 52 2.803 -5.490 -2.438 1.00 43.33 C ATOM 756 CG PRO A 52 3.076 -5.814 -3.867 1.00 33.34 C ATOM 757 CD PRO A 52 3.247 -4.494 -4.566 1.00 22.12 C ATOM 0 HA PRO A 52 3.135 -3.541 -1.452 1.00 34.44 H new ATOM 0 HB2 PRO A 52 3.118 -6.301 -1.781 1.00 43.33 H new ATOM 0 HB3 PRO A 52 1.739 -5.333 -2.264 1.00 43.33 H new ATOM 0 HG2 PRO A 52 3.973 -6.426 -3.964 1.00 33.34 H new ATOM 0 HG3 PRO A 52 2.254 -6.382 -4.302 1.00 33.34 H new ATOM 0 HD2 PRO A 52 3.966 -4.562 -5.382 1.00 22.12 H new ATOM 0 HD3 PRO A 52 2.309 -4.142 -4.996 1.00 22.12 H new ATOM 765 N ASP A 53 5.018 -4.610 -0.240 1.00 30.13 N ATOM 766 CA ASP A 53 6.257 -4.928 0.461 1.00 12.43 C ATOM 767 C ASP A 53 6.855 -6.232 -0.056 1.00 32.21 C ATOM 768 O ASP A 53 8.052 -6.312 -0.331 1.00 51.21 O ATOM 769 CB ASP A 53 6.005 -5.029 1.966 1.00 35.14 C ATOM 770 CG ASP A 53 7.239 -4.703 2.784 1.00 61.14 C ATOM 771 OD1 ASP A 53 7.749 -3.570 2.661 1.00 11.11 O ATOM 772 OD2 ASP A 53 7.696 -5.581 3.545 1.00 21.40 O ATOM 0 H ASP A 53 4.219 -4.439 0.371 1.00 30.13 H new ATOM 0 HA ASP A 53 6.968 -4.124 0.273 1.00 12.43 H new ATOM 0 HB2 ASP A 53 5.199 -4.349 2.243 1.00 35.14 H new ATOM 0 HB3 ASP A 53 5.668 -6.037 2.208 1.00 35.14 H new ATOM 777 N SER A 54 6.013 -7.253 -0.185 1.00 23.04 N ATOM 778 CA SER A 54 6.460 -8.556 -0.664 1.00 14.10 C ATOM 779 C SER A 54 7.232 -8.418 -1.973 1.00 14.14 C ATOM 780 O SER A 54 8.106 -9.228 -2.279 1.00 45.02 O ATOM 781 CB SER A 54 5.262 -9.488 -0.861 1.00 5.12 C ATOM 782 OG SER A 54 5.255 -10.520 0.110 1.00 31.30 O ATOM 0 H SER A 54 5.018 -7.203 0.035 1.00 23.04 H new ATOM 0 HA SER A 54 7.125 -8.983 0.086 1.00 14.10 H new ATOM 0 HB2 SER A 54 4.337 -8.915 -0.795 1.00 5.12 H new ATOM 0 HB3 SER A 54 5.296 -9.924 -1.860 1.00 5.12 H new ATOM 0 HG SER A 54 4.479 -11.101 -0.036 1.00 31.30 H new ATOM 788 N VAL A 55 6.901 -7.385 -2.741 1.00 60.14 N ATOM 789 CA VAL A 55 7.563 -7.139 -4.017 1.00 11.31 C ATOM 790 C VAL A 55 8.457 -5.906 -3.943 1.00 22.20 C ATOM 791 O VAL A 55 8.055 -4.795 -4.290 1.00 23.35 O ATOM 792 CB VAL A 55 6.540 -6.950 -5.153 1.00 11.22 C ATOM 793 CG1 VAL A 55 7.246 -6.845 -6.496 1.00 23.21 C ATOM 794 CG2 VAL A 55 5.533 -8.090 -5.158 1.00 24.31 C ATOM 0 H VAL A 55 6.179 -6.705 -2.502 1.00 60.14 H new ATOM 0 HA VAL A 55 8.174 -8.016 -4.231 1.00 11.31 H new ATOM 0 HB VAL A 55 6.000 -6.019 -4.981 1.00 11.22 H new ATOM 0 HG11 VAL A 55 6.507 -6.712 -7.286 1.00 23.21 H new ATOM 0 HG12 VAL A 55 7.923 -5.991 -6.485 1.00 23.21 H new ATOM 0 HG13 VAL A 55 7.814 -7.757 -6.681 1.00 23.21 H new ATOM 0 HG21 VAL A 55 4.818 -7.940 -5.967 1.00 24.31 H new ATOM 0 HG22 VAL A 55 6.055 -9.036 -5.305 1.00 24.31 H new ATOM 0 HG23 VAL A 55 5.004 -8.112 -4.205 1.00 24.31 H new ATOM 804 N PRO A 56 9.701 -6.104 -3.481 1.00 33.42 N ATOM 805 CA PRO A 56 10.679 -5.021 -3.351 1.00 41.53 C ATOM 806 C PRO A 56 11.159 -4.508 -4.705 1.00 14.31 C ATOM 807 O PRO A 56 10.846 -5.088 -5.745 1.00 51.11 O ATOM 808 CB PRO A 56 11.834 -5.674 -2.588 1.00 35.23 C ATOM 809 CG PRO A 56 11.718 -7.127 -2.897 1.00 12.11 C ATOM 810 CD PRO A 56 10.247 -7.402 -3.050 1.00 4.14 C ATOM 0 HA PRO A 56 10.257 -4.150 -2.849 1.00 41.53 H new ATOM 0 HB2 PRO A 56 12.796 -5.276 -2.910 1.00 35.23 H new ATOM 0 HB3 PRO A 56 11.755 -5.489 -1.517 1.00 35.23 H new ATOM 0 HG2 PRO A 56 12.259 -7.376 -3.810 1.00 12.11 H new ATOM 0 HG3 PRO A 56 12.147 -7.731 -2.098 1.00 12.11 H new ATOM 0 HD2 PRO A 56 10.059 -8.182 -3.787 1.00 4.14 H new ATOM 0 HD3 PRO A 56 9.801 -7.735 -2.113 1.00 4.14 H new ATOM 818 N ILE A 57 11.919 -3.418 -4.684 1.00 70.21 N ATOM 819 CA ILE A 57 12.443 -2.829 -5.910 1.00 75.12 C ATOM 820 C ILE A 57 13.967 -2.849 -5.922 1.00 43.12 C ATOM 821 O ILE A 57 14.599 -3.376 -5.006 1.00 75.54 O ATOM 822 CB ILE A 57 11.958 -1.378 -6.089 1.00 72.34 C ATOM 823 CG1 ILE A 57 11.915 -0.661 -4.738 1.00 62.24 C ATOM 824 CG2 ILE A 57 10.588 -1.355 -6.751 1.00 32.43 C ATOM 825 CD1 ILE A 57 10.677 -0.973 -3.927 1.00 60.44 C ATOM 0 H ILE A 57 12.185 -2.925 -3.832 1.00 70.21 H new ATOM 0 HA ILE A 57 12.068 -3.433 -6.736 1.00 75.12 H new ATOM 0 HB ILE A 57 12.661 -0.853 -6.735 1.00 72.34 H new ATOM 0 HG12 ILE A 57 12.797 -0.938 -4.161 1.00 62.24 H new ATOM 0 HG13 ILE A 57 11.968 0.415 -4.905 1.00 62.24 H new ATOM 0 HG21 ILE A 57 10.259 -0.323 -6.871 1.00 32.43 H new ATOM 0 HG22 ILE A 57 10.648 -1.832 -7.729 1.00 32.43 H new ATOM 0 HG23 ILE A 57 9.874 -1.894 -6.128 1.00 32.43 H new ATOM 0 HD11 ILE A 57 10.715 -0.430 -2.982 1.00 60.44 H new ATOM 0 HD12 ILE A 57 9.791 -0.670 -4.485 1.00 60.44 H new ATOM 0 HD13 ILE A 57 10.632 -2.044 -3.729 1.00 60.44 H new ATOM 837 N ARG A 58 14.553 -2.269 -6.965 1.00 31.01 N ATOM 838 CA ARG A 58 16.004 -2.219 -7.096 1.00 20.40 C ATOM 839 C ARG A 58 16.624 -1.403 -5.966 1.00 44.10 C ATOM 840 O ARG A 58 16.152 -0.313 -5.641 1.00 71.52 O ATOM 841 CB ARG A 58 16.395 -1.619 -8.448 1.00 1.04 C ATOM 842 CG ARG A 58 17.498 -2.386 -9.159 1.00 33.22 C ATOM 843 CD ARG A 58 18.875 -1.889 -8.750 1.00 4.21 C ATOM 844 NE ARG A 58 19.944 -2.618 -9.428 1.00 51.30 N ATOM 845 CZ ARG A 58 21.226 -2.519 -9.096 1.00 44.44 C ATOM 846 NH1 ARG A 58 21.598 -1.726 -8.101 1.00 13.32 N ATOM 847 NH2 ARG A 58 22.140 -3.214 -9.761 1.00 24.01 N ATOM 0 H ARG A 58 14.045 -1.827 -7.731 1.00 31.01 H new ATOM 0 HA ARG A 58 16.385 -3.239 -7.035 1.00 20.40 H new ATOM 0 HB2 ARG A 58 15.515 -1.587 -9.090 1.00 1.04 H new ATOM 0 HB3 ARG A 58 16.718 -0.589 -8.299 1.00 1.04 H new ATOM 0 HG2 ARG A 58 17.410 -3.448 -8.929 1.00 33.22 H new ATOM 0 HG3 ARG A 58 17.378 -2.282 -10.237 1.00 33.22 H new ATOM 0 HD2 ARG A 58 18.959 -0.827 -8.978 1.00 4.21 H new ATOM 0 HD3 ARG A 58 18.992 -1.994 -7.671 1.00 4.21 H new ATOM 0 HE ARG A 58 19.692 -3.237 -10.199 1.00 51.30 H new ATOM 0 HH11 ARG A 58 20.899 -1.189 -7.588 1.00 13.32 H new ATOM 0 HH12 ARG A 58 22.584 -1.652 -7.849 1.00 13.32 H new ATOM 0 HH21 ARG A 58 21.858 -3.825 -10.528 1.00 24.01 H new ATOM 0 HH22 ARG A 58 23.125 -3.137 -9.505 1.00 24.01 H new ATOM 861 N VAL A 59 17.686 -1.937 -5.370 1.00 74.41 N ATOM 862 CA VAL A 59 18.371 -1.259 -4.277 1.00 3.40 C ATOM 863 C VAL A 59 19.758 -0.790 -4.705 1.00 15.15 C ATOM 864 O VAL A 59 20.345 -1.299 -5.659 1.00 62.11 O ATOM 865 CB VAL A 59 18.508 -2.174 -3.046 1.00 0.02 C ATOM 866 CG1 VAL A 59 17.206 -2.210 -2.260 1.00 4.45 C ATOM 867 CG2 VAL A 59 18.924 -3.575 -3.468 1.00 22.04 C ATOM 0 H VAL A 59 18.090 -2.838 -5.627 1.00 74.41 H new ATOM 0 HA VAL A 59 17.763 -0.394 -4.011 1.00 3.40 H new ATOM 0 HB VAL A 59 19.285 -1.768 -2.398 1.00 0.02 H new ATOM 0 HG11 VAL A 59 17.322 -2.862 -1.394 1.00 4.45 H new ATOM 0 HG12 VAL A 59 16.955 -1.203 -1.926 1.00 4.45 H new ATOM 0 HG13 VAL A 59 16.407 -2.591 -2.896 1.00 4.45 H new ATOM 0 HG21 VAL A 59 19.016 -4.208 -2.586 1.00 22.04 H new ATOM 0 HG22 VAL A 59 18.171 -3.992 -4.137 1.00 22.04 H new ATOM 0 HG23 VAL A 59 19.883 -3.530 -3.984 1.00 22.04 H new ATOM 877 N PRO A 60 20.295 0.204 -3.982 1.00 51.30 N ATOM 878 CA PRO A 60 21.620 0.763 -4.267 1.00 54.52 C ATOM 879 C PRO A 60 22.744 -0.213 -3.940 1.00 72.43 C ATOM 880 O PRO A 60 23.108 -0.390 -2.778 1.00 53.05 O ATOM 881 CB PRO A 60 21.692 1.988 -3.352 1.00 2.14 C ATOM 882 CG PRO A 60 20.759 1.680 -2.232 1.00 61.20 C ATOM 883 CD PRO A 60 19.651 0.859 -2.831 1.00 32.43 C ATOM 0 HA PRO A 60 21.745 0.996 -5.325 1.00 54.52 H new ATOM 0 HB2 PRO A 60 22.707 2.151 -2.988 1.00 2.14 H new ATOM 0 HB3 PRO A 60 21.392 2.894 -3.879 1.00 2.14 H new ATOM 0 HG2 PRO A 60 21.268 1.130 -1.440 1.00 61.20 H new ATOM 0 HG3 PRO A 60 20.369 2.595 -1.786 1.00 61.20 H new ATOM 0 HD2 PRO A 60 19.262 0.130 -2.120 1.00 32.43 H new ATOM 0 HD3 PRO A 60 18.812 1.482 -3.141 1.00 32.43 H new ATOM 891 N GLY A 61 23.291 -0.846 -4.974 1.00 23.22 N ATOM 892 CA GLY A 61 24.369 -1.797 -4.775 1.00 21.41 C ATOM 893 C GLY A 61 24.763 -2.504 -6.057 1.00 13.11 C ATOM 894 O GLY A 61 24.422 -2.056 -7.152 1.00 10.21 O ATOM 0 H GLY A 61 23.007 -0.717 -5.945 1.00 23.22 H new ATOM 0 HA2 GLY A 61 25.237 -1.278 -4.369 1.00 21.41 H new ATOM 0 HA3 GLY A 61 24.065 -2.537 -4.035 1.00 21.41 H new ATOM 898 N LYS A 62 25.484 -3.612 -5.923 1.00 2.44 N ATOM 899 CA LYS A 62 25.926 -4.382 -7.079 1.00 20.43 C ATOM 900 C LYS A 62 24.904 -5.455 -7.440 1.00 72.32 C ATOM 901 O LYS A 62 24.025 -5.784 -6.643 1.00 11.33 O ATOM 902 CB LYS A 62 27.283 -5.031 -6.797 1.00 4.51 C ATOM 903 CG LYS A 62 28.465 -4.134 -7.123 1.00 1.53 C ATOM 904 CD LYS A 62 29.179 -4.588 -8.385 1.00 12.11 C ATOM 905 CE LYS A 62 30.422 -3.754 -8.653 1.00 24.22 C ATOM 906 NZ LYS A 62 31.664 -4.460 -8.232 1.00 4.21 N ATOM 0 H LYS A 62 25.775 -3.997 -5.024 1.00 2.44 H new ATOM 0 HA LYS A 62 26.025 -3.699 -7.923 1.00 20.43 H new ATOM 0 HB2 LYS A 62 27.330 -5.312 -5.745 1.00 4.51 H new ATOM 0 HB3 LYS A 62 27.364 -5.950 -7.377 1.00 4.51 H new ATOM 0 HG2 LYS A 62 28.120 -3.108 -7.248 1.00 1.53 H new ATOM 0 HG3 LYS A 62 29.165 -4.135 -6.288 1.00 1.53 H new ATOM 0 HD2 LYS A 62 29.457 -5.637 -8.289 1.00 12.11 H new ATOM 0 HD3 LYS A 62 28.500 -4.515 -9.235 1.00 12.11 H new ATOM 0 HE2 LYS A 62 30.480 -3.519 -9.716 1.00 24.22 H new ATOM 0 HE3 LYS A 62 30.345 -2.806 -8.121 1.00 24.22 H new ATOM 0 HZ1 LYS A 62 32.489 -3.859 -8.431 1.00 4.21 H new ATOM 0 HZ2 LYS A 62 31.620 -4.662 -7.213 1.00 4.21 H new ATOM 0 HZ3 LYS A 62 31.751 -5.353 -8.758 1.00 4.21 H new ATOM 920 N CYS A 63 25.025 -5.999 -8.646 1.00 63.44 N ATOM 921 CA CYS A 63 24.113 -7.036 -9.114 1.00 21.14 C ATOM 922 C CYS A 63 24.743 -8.419 -8.973 1.00 1.22 C ATOM 923 O CYS A 63 25.955 -8.577 -9.120 1.00 14.04 O ATOM 924 CB CYS A 63 23.727 -6.786 -10.573 1.00 4.42 C ATOM 925 SG CYS A 63 22.669 -8.081 -11.295 1.00 0.40 S ATOM 0 H CYS A 63 25.747 -5.739 -9.318 1.00 63.44 H new ATOM 0 HA CYS A 63 23.215 -7.000 -8.497 1.00 21.14 H new ATOM 0 HB2 CYS A 63 23.210 -5.829 -10.642 1.00 4.42 H new ATOM 0 HB3 CYS A 63 24.636 -6.701 -11.169 1.00 4.42 H new ATOM 930 N GLN A 64 23.911 -9.416 -8.688 1.00 4.44 N ATOM 931 CA GLN A 64 24.387 -10.784 -8.527 1.00 23.54 C ATOM 932 C GLN A 64 23.364 -11.783 -9.058 1.00 12.42 C ATOM 933 O GLN A 64 22.303 -11.397 -9.551 1.00 31.34 O ATOM 934 CB GLN A 64 24.683 -11.074 -7.054 1.00 20.10 C ATOM 935 CG GLN A 64 26.166 -11.080 -6.721 1.00 43.10 C ATOM 936 CD GLN A 64 26.862 -12.347 -7.178 1.00 31.15 C ATOM 937 OE1 GLN A 64 26.601 -12.853 -8.269 1.00 62.43 O ATOM 938 NE2 GLN A 64 27.753 -12.867 -6.342 1.00 64.20 N ATOM 0 H GLN A 64 22.905 -9.302 -8.564 1.00 4.44 H new ATOM 0 HA GLN A 64 25.306 -10.892 -9.103 1.00 23.54 H new ATOM 0 HB2 GLN A 64 24.184 -10.326 -6.438 1.00 20.10 H new ATOM 0 HB3 GLN A 64 24.256 -12.041 -6.790 1.00 20.10 H new ATOM 0 HG2 GLN A 64 26.643 -10.219 -7.189 1.00 43.10 H new ATOM 0 HG3 GLN A 64 26.293 -10.968 -5.644 1.00 43.10 H new ATOM 0 HE21 GLN A 64 27.938 -12.414 -5.447 1.00 64.20 H new ATOM 0 HE22 GLN A 64 28.252 -13.720 -6.595 1.00 64.20 H new TER 947 GLN A 64