USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 598 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: B 23 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 26 THR OG1 : rot 180:sc= -0.0956 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.038 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= -1.29 (180deg=-1.74) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 75:sc= 0.296 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -130:sc= -0.712 (180deg=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -0.01 (180deg=-0.143) USER MOD Single : A 23 SER OG : rot 180:sc=-0.000701 USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.497 USER MOD Single : A 29 TYR OH : rot -51:sc= 0.273 USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= 0 (180deg=-1.08) USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= -2.05 (180deg=-6.03!) USER MOD Single : B 1 TRP N :NH3+ 140:sc= -1.54 (180deg=-3.96!) USER MOD Single : B 2 SER OG : rot 180:sc=-0.00724 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 159:sc= -3.58! (180deg=-4.46!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot -170:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 148:sc= -2.59 (180deg=-3.65!) USER MOD Single : B 15 SER OG : rot 75:sc= 0.189 USER MOD Single : B 16 MET CE :methyl 136:sc= -0.119 (180deg=-0.788) USER MOD Single : B 18 LYS NZ :NH3+ -127:sc= -0.73 (180deg=-2.63!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 MET CE :methyl 161:sc= -2.23 (180deg=-3.06) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ -130:sc= -2.22! (180deg=-4.06!) USER MOD Single : B 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0697) USER MOD Single : B 34 LYS NZ :NH3+ -165:sc= -0.0423 (180deg=-0.314) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.893 -17.830 2.330 1.00 0.00 N ATOM 2 CA GLY A 1 1.643 -16.712 1.737 1.00 0.00 C ATOM 3 C GLY A 1 1.828 -15.552 2.722 1.00 0.00 C ATOM 4 O GLY A 1 1.417 -15.570 3.884 1.00 0.00 O ATOM 0 H1 GLY A 1 1.488 -18.683 2.334 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.625 -17.590 3.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.035 -18.009 1.770 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.620 -17.066 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.118 -16.354 0.851 1.00 0.00 H new ATOM 10 N VAL A 2 2.483 -14.505 2.211 1.00 0.00 N ATOM 11 CA VAL A 2 2.736 -13.279 2.994 1.00 0.00 C ATOM 12 C VAL A 2 1.429 -12.597 3.430 1.00 0.00 C ATOM 13 O VAL A 2 1.238 -12.180 4.575 1.00 0.00 O ATOM 14 CB VAL A 2 3.638 -12.312 2.182 1.00 0.00 C ATOM 15 CG1 VAL A 2 3.006 -11.842 0.850 1.00 0.00 C ATOM 16 CG2 VAL A 2 4.097 -11.109 3.036 1.00 0.00 C ATOM 0 H VAL A 2 2.850 -14.476 1.260 1.00 0.00 H new ATOM 0 HA VAL A 2 3.259 -13.560 3.908 1.00 0.00 H new ATOM 0 HB VAL A 2 4.517 -12.895 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.694 -11.169 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.806 -12.707 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.072 -11.319 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.727 -10.454 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.225 -10.555 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.664 -11.468 3.895 1.00 0.00 H new ATOM 26 N ILE A 3 0.507 -12.495 2.469 1.00 0.00 N ATOM 27 CA ILE A 3 -0.817 -11.889 2.701 1.00 0.00 C ATOM 28 C ILE A 3 -1.880 -12.689 1.932 1.00 0.00 C ATOM 29 O ILE A 3 -1.716 -12.993 0.750 1.00 0.00 O ATOM 30 CB ILE A 3 -0.798 -10.415 2.207 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.278 -9.587 2.958 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.198 -9.762 2.300 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.346 -8.102 2.549 1.00 0.00 C ATOM 0 H ILE A 3 0.650 -12.825 1.515 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.055 -11.907 3.765 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.525 -10.424 1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.082 -9.647 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.253 -10.043 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.144 -8.733 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.902 -10.321 1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.536 -9.772 3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.125 -7.601 3.124 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.575 -8.028 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.614 -7.626 2.747 1.00 0.00 H new ATOM 45 N PRO A 4 -3.001 -13.054 2.574 1.00 0.00 N ATOM 46 CA PRO A 4 -4.058 -13.869 1.950 1.00 0.00 C ATOM 47 C PRO A 4 -4.973 -13.061 1.023 1.00 0.00 C ATOM 48 O PRO A 4 -5.010 -11.830 0.998 1.00 0.00 O ATOM 49 CB PRO A 4 -4.842 -14.386 3.166 1.00 0.00 C ATOM 50 CG PRO A 4 -4.775 -13.206 4.121 1.00 0.00 C ATOM 51 CD PRO A 4 -3.325 -12.721 3.972 1.00 0.00 C ATOM 0 HA PRO A 4 -3.649 -14.650 1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.870 -14.642 2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.388 -15.280 3.592 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.490 -12.428 3.852 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.998 -13.503 5.146 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.237 -11.651 4.162 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.658 -13.225 4.671 1.00 0.00 H new ATOM 59 N LYS A 5 -5.768 -13.823 0.268 1.00 0.00 N ATOM 60 CA LYS A 5 -6.695 -13.266 -0.736 1.00 0.00 C ATOM 61 C LYS A 5 -7.671 -12.254 -0.121 1.00 0.00 C ATOM 62 O LYS A 5 -7.894 -11.152 -0.618 1.00 0.00 O ATOM 63 CB LYS A 5 -7.495 -14.432 -1.356 1.00 0.00 C ATOM 64 CG LYS A 5 -8.321 -14.012 -2.591 1.00 0.00 C ATOM 65 CD LYS A 5 -9.284 -15.114 -3.093 1.00 0.00 C ATOM 66 CE LYS A 5 -10.642 -15.159 -2.353 1.00 0.00 C ATOM 67 NZ LYS A 5 -10.449 -15.304 -0.902 1.00 0.00 N ATOM 0 H LYS A 5 -5.792 -14.841 0.330 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.111 -12.740 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.805 -15.227 -1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.165 -14.846 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.898 -13.120 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.641 -13.740 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.468 -14.962 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.795 -16.082 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.203 -14.247 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.237 -15.991 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.318 -15.682 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.660 -15.957 -0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.232 -14.376 -0.486 1.00 0.00 H new ATOM 81 N LYS A 6 -8.263 -12.670 1.004 1.00 0.00 N ATOM 82 CA LYS A 6 -9.250 -11.842 1.725 1.00 0.00 C ATOM 83 C LYS A 6 -8.701 -10.458 2.096 1.00 0.00 C ATOM 84 O LYS A 6 -9.342 -9.425 1.907 1.00 0.00 O ATOM 85 CB LYS A 6 -9.725 -12.586 2.994 1.00 0.00 C ATOM 86 CG LYS A 6 -10.817 -11.818 3.777 1.00 0.00 C ATOM 87 CD LYS A 6 -12.071 -11.525 2.927 1.00 0.00 C ATOM 88 CE LYS A 6 -13.148 -10.749 3.710 1.00 0.00 C ATOM 89 NZ LYS A 6 -14.302 -10.500 2.834 1.00 0.00 N ATOM 0 H LYS A 6 -8.079 -13.574 1.439 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.092 -11.678 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.111 -13.565 2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.870 -12.757 3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.106 -12.399 4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.403 -10.878 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.783 -10.951 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.492 -12.465 2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.458 -11.319 4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.741 -9.805 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.031 -9.976 3.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.999 -9.940 2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.694 -11.407 2.510 1.00 0.00 H new ATOM 103 N ILE A 7 -7.485 -10.447 2.651 1.00 0.00 N ATOM 104 CA ILE A 7 -6.825 -9.177 3.013 1.00 0.00 C ATOM 105 C ILE A 7 -6.631 -8.264 1.794 1.00 0.00 C ATOM 106 O ILE A 7 -6.876 -7.062 1.843 1.00 0.00 O ATOM 107 CB ILE A 7 -5.482 -9.434 3.744 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.705 -10.122 5.116 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.645 -8.140 3.901 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.459 -9.253 6.146 1.00 0.00 C ATOM 0 H ILE A 7 -6.941 -11.284 2.859 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.487 -8.653 3.702 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.908 -10.115 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.262 -11.046 4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.737 -10.400 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.714 -8.370 4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.421 -7.730 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.210 -7.409 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.573 -9.809 7.077 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.894 -8.340 6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.443 -8.996 5.754 1.00 0.00 H new ATOM 122 N TRP A 8 -6.175 -8.850 0.681 1.00 0.00 N ATOM 123 CA TRP A 8 -6.007 -8.087 -0.576 1.00 0.00 C ATOM 124 C TRP A 8 -7.294 -7.375 -1.022 1.00 0.00 C ATOM 125 O TRP A 8 -7.297 -6.237 -1.491 1.00 0.00 O ATOM 126 CB TRP A 8 -5.471 -8.997 -1.702 1.00 0.00 C ATOM 127 CG TRP A 8 -4.008 -9.354 -1.412 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.469 -10.638 -1.232 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.924 -8.467 -1.272 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.136 -10.573 -0.983 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.777 -9.258 -1.001 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.811 -7.079 -1.365 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.544 -8.626 -0.816 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.569 -6.466 -1.184 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.441 -7.237 -0.908 1.00 0.00 C ATOM 0 H TRP A 8 -5.917 -9.835 0.617 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.274 -7.307 -0.369 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.072 -9.904 -1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.550 -8.490 -2.664 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.038 -11.554 -1.285 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.516 -11.365 -0.813 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.684 -6.479 -1.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.334 -9.216 -0.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.482 -5.392 -1.258 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.516 -6.758 -0.765 1.00 0.00 H new ATOM 146 N GLU A 9 -8.412 -8.085 -0.869 1.00 0.00 N ATOM 147 CA GLU A 9 -9.748 -7.520 -1.148 1.00 0.00 C ATOM 148 C GLU A 9 -10.069 -6.319 -0.243 1.00 0.00 C ATOM 149 O GLU A 9 -10.547 -5.267 -0.667 1.00 0.00 O ATOM 150 CB GLU A 9 -10.813 -8.619 -0.948 1.00 0.00 C ATOM 151 CG GLU A 9 -10.648 -9.784 -1.947 1.00 0.00 C ATOM 152 CD GLU A 9 -11.537 -10.971 -1.552 1.00 0.00 C ATOM 153 OE1 GLU A 9 -12.759 -10.834 -1.579 1.00 0.00 O ATOM 154 OE2 GLU A 9 -10.994 -12.024 -1.219 1.00 0.00 O ATOM 0 H GLU A 9 -8.427 -9.055 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.754 -7.164 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.748 -9.004 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.806 -8.184 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.908 -9.448 -2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.605 -10.099 -1.976 1.00 0.00 H new ATOM 161 N THR A 10 -9.790 -6.506 1.049 1.00 0.00 N ATOM 162 CA THR A 10 -10.052 -5.477 2.077 1.00 0.00 C ATOM 163 C THR A 10 -9.273 -4.177 1.822 1.00 0.00 C ATOM 164 O THR A 10 -9.791 -3.063 1.881 1.00 0.00 O ATOM 165 CB THR A 10 -9.682 -6.050 3.469 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.471 -7.216 3.726 1.00 0.00 O ATOM 167 CG2 THR A 10 -9.897 -5.046 4.620 1.00 0.00 C ATOM 0 H THR A 10 -9.380 -7.364 1.417 1.00 0.00 H new ATOM 0 HA THR A 10 -11.112 -5.224 2.035 1.00 0.00 H new ATOM 0 HB THR A 10 -8.618 -6.286 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.133 -7.964 3.191 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.619 -5.511 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.278 -4.164 4.454 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.946 -4.752 4.655 1.00 0.00 H new ATOM 175 N VAL A 11 -7.978 -4.350 1.543 1.00 0.00 N ATOM 176 CA VAL A 11 -7.055 -3.216 1.356 1.00 0.00 C ATOM 177 C VAL A 11 -7.311 -2.434 0.059 1.00 0.00 C ATOM 178 O VAL A 11 -7.099 -1.227 -0.002 1.00 0.00 O ATOM 179 CB VAL A 11 -5.578 -3.680 1.432 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.260 -4.316 2.804 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.174 -4.618 0.275 1.00 0.00 C ATOM 0 H VAL A 11 -7.540 -5.265 1.440 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.252 -2.528 2.178 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.972 -2.781 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.217 -4.631 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.435 -3.585 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.904 -5.181 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.129 -4.906 0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.800 -5.510 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.308 -4.102 -0.676 1.00 0.00 H new ATOM 191 N CYS A 12 -7.776 -3.147 -0.983 1.00 0.00 N ATOM 192 CA CYS A 12 -8.015 -2.576 -2.332 1.00 0.00 C ATOM 193 C CYS A 12 -8.384 -1.076 -2.368 1.00 0.00 C ATOM 194 O CYS A 12 -7.648 -0.276 -2.944 1.00 0.00 O ATOM 195 CB CYS A 12 -9.137 -3.370 -3.046 1.00 0.00 C ATOM 196 SG CYS A 12 -8.637 -4.909 -3.860 1.00 0.00 S ATOM 0 H CYS A 12 -7.999 -4.140 -0.918 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.055 -2.664 -2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.909 -3.606 -2.313 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.594 -2.721 -3.793 1.00 0.00 H new ATOM 201 N PRO A 13 -9.502 -0.644 -1.758 1.00 0.00 N ATOM 202 CA PRO A 13 -9.951 0.762 -1.759 1.00 0.00 C ATOM 203 C PRO A 13 -9.030 1.710 -0.977 1.00 0.00 C ATOM 204 O PRO A 13 -8.768 2.853 -1.353 1.00 0.00 O ATOM 205 CB PRO A 13 -11.344 0.700 -1.109 1.00 0.00 C ATOM 206 CG PRO A 13 -11.241 -0.494 -0.174 1.00 0.00 C ATOM 207 CD PRO A 13 -10.441 -1.498 -1.010 1.00 0.00 C ATOM 0 HA PRO A 13 -9.949 1.169 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.576 1.617 -0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.129 0.562 -1.853 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.730 -0.240 0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.222 -0.883 0.098 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.917 -2.218 -0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.086 -2.069 -1.678 1.00 0.00 H new ATOM 215 N THR A 14 -8.554 1.215 0.167 1.00 0.00 N ATOM 216 CA THR A 14 -7.677 1.997 1.060 1.00 0.00 C ATOM 217 C THR A 14 -6.372 2.408 0.351 1.00 0.00 C ATOM 218 O THR A 14 -5.947 3.562 0.348 1.00 0.00 O ATOM 219 CB THR A 14 -7.363 1.171 2.332 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.575 0.630 2.868 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.700 2.029 3.427 1.00 0.00 C ATOM 0 H THR A 14 -8.758 0.274 0.503 1.00 0.00 H new ATOM 0 HA THR A 14 -8.200 2.911 1.340 1.00 0.00 H new ATOM 0 HB THR A 14 -6.674 0.379 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.372 0.107 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.497 1.410 4.301 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.764 2.442 3.049 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.369 2.843 3.706 1.00 0.00 H new ATOM 229 N VAL A 15 -5.723 1.404 -0.250 1.00 0.00 N ATOM 230 CA VAL A 15 -4.493 1.612 -1.039 1.00 0.00 C ATOM 231 C VAL A 15 -4.759 2.082 -2.483 1.00 0.00 C ATOM 232 O VAL A 15 -3.849 2.337 -3.272 1.00 0.00 O ATOM 233 CB VAL A 15 -3.652 0.307 -1.052 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.318 -0.171 0.379 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.298 -0.823 -1.883 1.00 0.00 C ATOM 0 H VAL A 15 -6.028 0.432 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.942 2.416 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.716 0.559 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.729 -1.087 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.747 0.600 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.242 -0.364 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.661 -1.707 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.276 -1.066 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.413 -0.495 -2.916 1.00 0.00 H new ATOM 245 N GLU A 16 -6.045 2.189 -2.838 1.00 0.00 N ATOM 246 CA GLU A 16 -6.455 2.648 -4.181 1.00 0.00 C ATOM 247 C GLU A 16 -5.814 3.994 -4.571 1.00 0.00 C ATOM 248 O GLU A 16 -5.293 4.133 -5.677 1.00 0.00 O ATOM 249 CB GLU A 16 -7.992 2.740 -4.262 1.00 0.00 C ATOM 250 CG GLU A 16 -8.514 3.010 -5.689 1.00 0.00 C ATOM 251 CD GLU A 16 -10.049 3.042 -5.683 1.00 0.00 C ATOM 252 OE1 GLU A 16 -10.662 2.009 -5.408 1.00 0.00 O ATOM 253 OE2 GLU A 16 -10.616 4.099 -5.951 1.00 0.00 O ATOM 0 H GLU A 16 -6.823 1.965 -2.218 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.095 1.909 -4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.424 1.809 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.337 3.535 -3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.123 3.959 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.160 2.235 -6.369 1.00 0.00 H new ATOM 260 N PRO A 17 -5.840 5.026 -3.711 1.00 0.00 N ATOM 261 CA PRO A 17 -5.127 6.288 -3.972 1.00 0.00 C ATOM 262 C PRO A 17 -3.596 6.136 -3.979 1.00 0.00 C ATOM 263 O PRO A 17 -2.910 6.491 -4.936 1.00 0.00 O ATOM 264 CB PRO A 17 -5.595 7.222 -2.842 1.00 0.00 C ATOM 265 CG PRO A 17 -5.961 6.267 -1.714 1.00 0.00 C ATOM 266 CD PRO A 17 -6.618 5.101 -2.463 1.00 0.00 C ATOM 0 HA PRO A 17 -5.354 6.671 -4.967 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.808 7.913 -2.542 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.449 7.825 -3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.083 5.946 -1.154 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.644 6.726 -1.000 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.559 4.173 -1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.674 5.290 -2.657 1.00 0.00 H new ATOM 274 N TRP A 18 -3.057 5.571 -2.893 1.00 0.00 N ATOM 275 CA TRP A 18 -1.594 5.561 -2.696 1.00 0.00 C ATOM 276 C TRP A 18 -0.850 4.713 -3.735 1.00 0.00 C ATOM 277 O TRP A 18 -0.039 5.193 -4.525 1.00 0.00 O ATOM 278 CB TRP A 18 -1.199 5.037 -1.293 1.00 0.00 C ATOM 279 CG TRP A 18 -1.959 5.753 -0.177 1.00 0.00 C ATOM 280 CD1 TRP A 18 -2.100 7.138 0.013 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.636 5.154 0.896 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.829 7.400 1.133 1.00 0.00 N ATOM 283 CE2 TRP A 18 -3.170 6.202 1.690 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.827 3.823 1.267 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.906 5.878 2.832 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.561 3.516 2.411 1.00 0.00 C ATOM 287 CH2 TRP A 18 -4.106 4.540 3.187 1.00 0.00 C ATOM 0 H TRP A 18 -3.593 5.123 -2.150 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.298 6.604 -2.808 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.397 3.967 -1.237 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.127 5.171 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.687 7.892 -0.640 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.075 8.323 1.490 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.406 3.030 0.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.323 6.664 3.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.708 2.485 2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.685 4.298 4.066 1.00 0.00 H new ATOM 298 N ALA A 19 -1.159 3.413 -3.720 1.00 0.00 N ATOM 299 CA ALA A 19 -0.432 2.407 -4.518 1.00 0.00 C ATOM 300 C ALA A 19 -0.452 2.671 -6.028 1.00 0.00 C ATOM 301 O ALA A 19 0.562 2.631 -6.723 1.00 0.00 O ATOM 302 CB ALA A 19 -1.031 1.013 -4.235 1.00 0.00 C ATOM 0 H ALA A 19 -1.916 3.024 -3.158 1.00 0.00 H new ATOM 0 HA ALA A 19 0.613 2.465 -4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.500 0.263 -4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.931 0.783 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.086 1.008 -4.510 1.00 0.00 H new ATOM 308 N LYS A 20 -1.658 2.934 -6.538 1.00 0.00 N ATOM 309 CA LYS A 20 -1.870 3.149 -7.983 1.00 0.00 C ATOM 310 C LYS A 20 -1.033 4.314 -8.529 1.00 0.00 C ATOM 311 O LYS A 20 -0.338 4.215 -9.542 1.00 0.00 O ATOM 312 CB LYS A 20 -3.373 3.379 -8.259 1.00 0.00 C ATOM 313 CG LYS A 20 -4.243 2.104 -8.134 1.00 0.00 C ATOM 314 CD LYS A 20 -4.110 1.349 -6.791 1.00 0.00 C ATOM 315 CE LYS A 20 -5.123 0.196 -6.657 1.00 0.00 C ATOM 316 NZ LYS A 20 -4.982 -0.425 -5.332 1.00 0.00 N ATOM 0 H LYS A 20 -2.507 3.004 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.536 2.253 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.748 4.131 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.488 3.787 -9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.288 2.380 -8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.981 1.423 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.099 0.952 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.252 2.050 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.138 0.571 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.953 -0.545 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.901 -1.456 -5.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.128 -0.057 -4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.816 -0.201 -4.753 1.00 0.00 H new ATOM 330 N LYS A 21 -1.117 5.449 -7.830 1.00 0.00 N ATOM 331 CA LYS A 21 -0.269 6.619 -8.139 1.00 0.00 C ATOM 332 C LYS A 21 1.225 6.278 -8.038 1.00 0.00 C ATOM 333 O LYS A 21 2.064 6.637 -8.865 1.00 0.00 O ATOM 334 CB LYS A 21 -0.591 7.768 -7.158 1.00 0.00 C ATOM 335 CG LYS A 21 -2.032 8.296 -7.312 1.00 0.00 C ATOM 336 CD LYS A 21 -2.364 9.389 -6.273 1.00 0.00 C ATOM 337 CE LYS A 21 -3.827 9.870 -6.360 1.00 0.00 C ATOM 338 NZ LYS A 21 -4.082 10.469 -7.678 1.00 0.00 N ATOM 0 H LYS A 21 -1.758 5.589 -7.049 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.483 6.923 -9.164 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.443 7.420 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.111 8.586 -7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.165 8.699 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.734 7.469 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.172 9.003 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.697 10.239 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.504 9.032 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.026 10.600 -5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.009 10.940 -7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.341 11.167 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.077 9.725 -8.404 1.00 0.00 H new ATOM 352 N CYS A 22 1.539 5.548 -6.964 1.00 0.00 N ATOM 353 CA CYS A 22 2.915 5.121 -6.659 1.00 0.00 C ATOM 354 C CYS A 22 3.443 4.096 -7.676 1.00 0.00 C ATOM 355 O CYS A 22 2.739 3.571 -8.540 1.00 0.00 O ATOM 356 CB CYS A 22 2.915 4.548 -5.224 1.00 0.00 C ATOM 357 SG CYS A 22 4.560 4.090 -4.644 1.00 0.00 S ATOM 0 H CYS A 22 0.850 5.235 -6.280 1.00 0.00 H new ATOM 0 HA CYS A 22 3.590 5.974 -6.728 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.489 5.286 -4.545 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.267 3.672 -5.189 1.00 0.00 H new ATOM 362 N SER A 23 4.741 3.807 -7.548 1.00 0.00 N ATOM 363 CA SER A 23 5.451 2.936 -8.504 1.00 0.00 C ATOM 364 C SER A 23 6.490 2.041 -7.811 1.00 0.00 C ATOM 365 O SER A 23 6.642 1.989 -6.589 1.00 0.00 O ATOM 366 CB SER A 23 6.131 3.834 -9.564 1.00 0.00 C ATOM 367 OG SER A 23 7.079 4.705 -8.938 1.00 0.00 O ATOM 0 H SER A 23 5.327 4.162 -6.792 1.00 0.00 H new ATOM 0 HA SER A 23 4.730 2.267 -8.974 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.631 3.215 -10.309 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.379 4.421 -10.091 1.00 0.00 H new ATOM 0 HG SER A 23 7.505 5.268 -9.618 1.00 0.00 H new ATOM 373 N GLY A 24 7.227 1.309 -8.652 1.00 0.00 N ATOM 374 CA GLY A 24 8.226 0.333 -8.182 1.00 0.00 C ATOM 375 C GLY A 24 7.655 -1.088 -8.130 1.00 0.00 C ATOM 376 O GLY A 24 6.480 -1.362 -8.379 1.00 0.00 O ATOM 0 H GLY A 24 7.153 1.372 -9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.092 0.352 -8.844 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.576 0.620 -7.190 1.00 0.00 H new ATOM 380 N ASP A 25 8.547 -2.017 -7.782 1.00 0.00 N ATOM 381 CA ASP A 25 8.218 -3.455 -7.725 1.00 0.00 C ATOM 382 C ASP A 25 7.071 -3.764 -6.754 1.00 0.00 C ATOM 383 O ASP A 25 6.142 -4.523 -7.031 1.00 0.00 O ATOM 384 CB ASP A 25 9.473 -4.246 -7.290 1.00 0.00 C ATOM 385 CG ASP A 25 10.619 -4.020 -8.285 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.508 -4.460 -9.430 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.611 -3.396 -7.907 1.00 0.00 O ATOM 0 H ASP A 25 9.513 -1.803 -7.532 1.00 0.00 H new ATOM 0 HA ASP A 25 7.891 -3.752 -8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.781 -3.932 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.238 -5.309 -7.231 1.00 0.00 H new ATOM 392 N ILE A 26 7.165 -3.151 -5.572 1.00 0.00 N ATOM 393 CA ILE A 26 6.170 -3.355 -4.503 1.00 0.00 C ATOM 394 C ILE A 26 4.777 -2.862 -4.931 1.00 0.00 C ATOM 395 O ILE A 26 3.750 -3.504 -4.713 1.00 0.00 O ATOM 396 CB ILE A 26 6.610 -2.613 -3.220 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.091 -2.867 -2.847 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.687 -2.989 -2.041 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.431 -4.353 -2.591 1.00 0.00 C ATOM 0 H ILE A 26 7.918 -2.508 -5.326 1.00 0.00 H new ATOM 0 HA ILE A 26 6.109 -4.425 -4.305 1.00 0.00 H new ATOM 0 HB ILE A 26 6.521 -1.547 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.726 -2.493 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.334 -2.291 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.008 -2.459 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.661 -2.710 -2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.740 -4.064 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.487 -4.446 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.824 -4.728 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.223 -4.934 -3.489 1.00 0.00 H new ATOM 411 N ALA A 27 4.757 -1.668 -5.536 1.00 0.00 N ATOM 412 CA ALA A 27 3.512 -1.093 -6.083 1.00 0.00 C ATOM 413 C ALA A 27 2.833 -2.051 -7.072 1.00 0.00 C ATOM 414 O ALA A 27 1.621 -2.269 -7.072 1.00 0.00 O ATOM 415 CB ALA A 27 3.819 0.243 -6.787 1.00 0.00 C ATOM 0 H ALA A 27 5.581 -1.081 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 27 2.828 -0.926 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.897 0.663 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.253 0.940 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.524 0.072 -7.600 1.00 0.00 H new ATOM 421 N THR A 28 3.665 -2.633 -7.942 1.00 0.00 N ATOM 422 CA THR A 28 3.209 -3.623 -8.936 1.00 0.00 C ATOM 423 C THR A 28 2.589 -4.864 -8.272 1.00 0.00 C ATOM 424 O THR A 28 1.598 -5.433 -8.729 1.00 0.00 O ATOM 425 CB THR A 28 4.397 -4.040 -9.837 1.00 0.00 C ATOM 426 OG1 THR A 28 4.952 -2.877 -10.457 1.00 0.00 O ATOM 427 CG2 THR A 28 3.994 -5.040 -10.943 1.00 0.00 C ATOM 0 H THR A 28 4.665 -2.437 -7.981 1.00 0.00 H new ATOM 0 HA THR A 28 2.432 -3.155 -9.540 1.00 0.00 H new ATOM 0 HB THR A 28 5.124 -4.534 -9.192 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.470 -2.371 -9.797 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.869 -5.294 -11.541 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.592 -5.944 -10.487 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.236 -4.589 -11.583 1.00 0.00 H new ATOM 435 N TYR A 29 3.213 -5.300 -7.172 1.00 0.00 N ATOM 436 CA TYR A 29 2.724 -6.470 -6.418 1.00 0.00 C ATOM 437 C TYR A 29 1.316 -6.246 -5.852 1.00 0.00 C ATOM 438 O TYR A 29 0.377 -6.998 -6.102 1.00 0.00 O ATOM 439 CB TYR A 29 3.708 -6.820 -5.277 1.00 0.00 C ATOM 440 CG TYR A 29 3.193 -7.917 -4.369 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.880 -9.177 -4.892 1.00 0.00 C ATOM 442 CD2 TYR A 29 3.006 -7.664 -3.007 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.375 -10.175 -4.058 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.504 -8.664 -2.172 1.00 0.00 C ATOM 445 CZ TYR A 29 2.185 -9.919 -2.697 1.00 0.00 C ATOM 446 OH TYR A 29 1.675 -10.902 -1.875 1.00 0.00 O ATOM 0 H TYR A 29 4.051 -4.868 -6.783 1.00 0.00 H new ATOM 0 HA TYR A 29 2.666 -7.305 -7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.660 -7.129 -5.708 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.902 -5.926 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.030 -9.377 -5.943 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.250 -6.694 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.131 -11.146 -4.464 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.362 -8.467 -1.120 1.00 0.00 H new ATOM 0 HH TYR A 29 0.854 -11.264 -2.269 1.00 0.00 H new ATOM 456 N ILE A 30 1.182 -5.177 -5.063 1.00 0.00 N ATOM 457 CA ILE A 30 -0.107 -4.800 -4.444 1.00 0.00 C ATOM 458 C ILE A 30 -1.224 -4.684 -5.493 1.00 0.00 C ATOM 459 O ILE A 30 -2.345 -5.169 -5.339 1.00 0.00 O ATOM 460 CB ILE A 30 0.079 -3.461 -3.685 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.095 -3.629 -2.524 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.265 -2.887 -3.172 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.501 -2.293 -1.876 1.00 0.00 C ATOM 0 H ILE A 30 1.952 -4.549 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.409 -5.581 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 30 0.480 -2.737 -4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.663 -4.278 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.987 -4.129 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.083 -1.949 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.930 -2.707 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.729 -3.600 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.213 -2.480 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.962 -1.650 -2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.617 -1.802 -1.471 1.00 0.00 H new ATOM 475 N LYS A 31 -0.878 -4.003 -6.590 1.00 0.00 N ATOM 476 CA LYS A 31 -1.770 -3.857 -7.756 1.00 0.00 C ATOM 477 C LYS A 31 -2.267 -5.222 -8.255 1.00 0.00 C ATOM 478 O LYS A 31 -3.458 -5.466 -8.453 1.00 0.00 O ATOM 479 CB LYS A 31 -0.981 -3.107 -8.861 1.00 0.00 C ATOM 480 CG LYS A 31 -1.718 -2.865 -10.206 1.00 0.00 C ATOM 481 CD LYS A 31 -1.949 -4.121 -11.080 1.00 0.00 C ATOM 482 CE LYS A 31 -0.654 -4.899 -11.402 1.00 0.00 C ATOM 483 NZ LYS A 31 -0.992 -6.130 -12.128 1.00 0.00 N ATOM 0 H LYS A 31 0.023 -3.538 -6.700 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.658 -3.290 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.675 -2.140 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.070 -3.669 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.685 -2.411 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.147 -2.141 -10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.644 -4.786 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.424 -3.821 -12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.014 -4.282 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.123 -5.141 -10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.327 -6.884 -11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.960 -6.421 -11.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.928 -5.958 -13.152 1.00 0.00 H new ATOM 497 N ARG A 32 -1.308 -6.131 -8.447 1.00 0.00 N ATOM 498 CA ARG A 32 -1.594 -7.481 -8.969 1.00 0.00 C ATOM 499 C ARG A 32 -2.564 -8.268 -8.074 1.00 0.00 C ATOM 500 O ARG A 32 -3.532 -8.875 -8.523 1.00 0.00 O ATOM 501 CB ARG A 32 -0.271 -8.264 -9.127 1.00 0.00 C ATOM 502 CG ARG A 32 -0.505 -9.714 -9.605 1.00 0.00 C ATOM 503 CD ARG A 32 0.790 -10.530 -9.749 1.00 0.00 C ATOM 504 NE ARG A 32 0.438 -11.905 -10.144 1.00 0.00 N ATOM 505 CZ ARG A 32 1.368 -12.848 -10.319 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.662 -12.585 -10.147 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.991 -14.072 -10.673 1.00 0.00 N ATOM 0 H ARG A 32 -0.322 -5.961 -8.250 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.080 -7.361 -9.937 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.372 -7.748 -9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.257 -8.278 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.166 -10.218 -8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.020 -9.693 -10.565 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.441 -10.077 -10.496 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.340 -10.536 -8.808 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.543 -12.144 -10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.960 -11.648 -9.876 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.355 -13.321 -10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.002 -14.282 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.691 -14.802 -10.810 1.00 0.00 H new ATOM 521 N GLU A 33 -2.272 -8.263 -6.772 1.00 0.00 N ATOM 522 CA GLU A 33 -3.058 -9.039 -5.795 1.00 0.00 C ATOM 523 C GLU A 33 -4.524 -8.586 -5.727 1.00 0.00 C ATOM 524 O GLU A 33 -5.469 -9.366 -5.858 1.00 0.00 O ATOM 525 CB GLU A 33 -2.405 -8.913 -4.402 1.00 0.00 C ATOM 526 CG GLU A 33 -0.949 -9.432 -4.321 1.00 0.00 C ATOM 527 CD GLU A 33 -0.885 -10.948 -4.549 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.965 -11.380 -5.699 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.759 -11.681 -3.568 1.00 0.00 O ATOM 0 H GLU A 33 -1.501 -7.734 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.060 -10.079 -6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.420 -7.865 -4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.012 -9.460 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.337 -8.924 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.528 -9.191 -3.345 1.00 0.00 H new ATOM 536 N CYS A 34 -4.700 -7.277 -5.512 1.00 0.00 N ATOM 537 CA CYS A 34 -6.042 -6.665 -5.458 1.00 0.00 C ATOM 538 C CYS A 34 -6.843 -6.898 -6.751 1.00 0.00 C ATOM 539 O CYS A 34 -7.966 -7.404 -6.763 1.00 0.00 O ATOM 540 CB CYS A 34 -5.904 -5.145 -5.204 1.00 0.00 C ATOM 541 SG CYS A 34 -7.494 -4.300 -5.409 1.00 0.00 S ATOM 0 H CYS A 34 -3.934 -6.618 -5.372 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.588 -7.141 -4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.526 -4.975 -4.196 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.173 -4.723 -5.894 1.00 0.00 H new ATOM 546 N GLY A 35 -6.221 -6.508 -7.867 1.00 0.00 N ATOM 547 CA GLY A 35 -6.859 -6.566 -9.198 1.00 0.00 C ATOM 548 C GLY A 35 -7.283 -7.983 -9.598 1.00 0.00 C ATOM 549 O GLY A 35 -8.426 -8.261 -9.959 1.00 0.00 O ATOM 0 H GLY A 35 -5.268 -6.145 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.734 -5.916 -9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.167 -6.176 -9.944 1.00 0.00 H new ATOM 553 N LYS A 36 -6.298 -8.883 -9.553 1.00 0.00 N ATOM 554 CA LYS A 36 -6.501 -10.315 -9.847 1.00 0.00 C ATOM 555 C LYS A 36 -7.300 -10.998 -8.723 1.00 0.00 C ATOM 556 O LYS A 36 -6.788 -11.658 -7.817 1.00 0.00 O ATOM 557 CB LYS A 36 -5.119 -10.988 -10.024 1.00 0.00 C ATOM 558 CG LYS A 36 -5.204 -12.451 -10.514 1.00 0.00 C ATOM 559 CD LYS A 36 -3.832 -13.119 -10.781 1.00 0.00 C ATOM 560 CE LYS A 36 -2.988 -13.438 -9.524 1.00 0.00 C ATOM 561 NZ LYS A 36 -2.512 -12.211 -8.870 1.00 0.00 N ATOM 0 H LYS A 36 -5.336 -8.646 -9.313 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.078 -10.418 -10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.530 -10.409 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.587 -10.962 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.742 -13.039 -9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.793 -12.480 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.000 -14.046 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.250 -12.466 -11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.585 -14.018 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.135 -14.057 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.528 -12.342 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.561 -11.418 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.110 -12.003 -8.045 1.00 0.00 H new ATOM 575 N LEU A 37 -8.618 -10.800 -8.802 1.00 0.00 N ATOM 576 CA LEU A 37 -9.554 -11.288 -7.772 1.00 0.00 C ATOM 577 C LEU A 37 -10.997 -11.213 -8.294 1.00 0.00 C ATOM 578 O LEU A 37 -11.426 -10.141 -8.722 1.00 0.00 O ATOM 579 CB LEU A 37 -9.378 -10.417 -6.497 1.00 0.00 C ATOM 580 CG LEU A 37 -10.202 -10.823 -5.248 1.00 0.00 C ATOM 581 CD1 LEU A 37 -11.696 -10.439 -5.331 1.00 0.00 C ATOM 582 CD2 LEU A 37 -10.043 -12.321 -4.921 1.00 0.00 C ATOM 583 OXT LEU A 37 -11.682 -12.236 -8.269 1.00 0.00 O ATOM 0 H LEU A 37 -9.068 -10.303 -9.571 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.342 -12.330 -7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.323 -10.425 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.633 -9.388 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.781 -10.239 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.204 -10.756 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.788 -9.358 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.151 -10.931 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.636 -12.566 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.387 -12.917 -5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.994 -12.541 -4.725 1.00 0.00 H new TER 595 LEU A 37 ATOM 596 N TRP B 1 -3.235 -0.510 9.345 1.00 0.00 N ATOM 597 CA TRP B 1 -4.073 0.466 10.059 1.00 0.00 C ATOM 598 C TRP B 1 -4.866 -0.143 11.226 1.00 0.00 C ATOM 599 O TRP B 1 -4.861 0.354 12.352 1.00 0.00 O ATOM 600 CB TRP B 1 -4.965 1.246 9.063 1.00 0.00 C ATOM 601 CG TRP B 1 -5.692 0.310 8.087 1.00 0.00 C ATOM 602 CD1 TRP B 1 -6.809 -0.500 8.350 1.00 0.00 C ATOM 603 CD2 TRP B 1 -5.344 0.047 6.751 1.00 0.00 C ATOM 604 NE1 TRP B 1 -7.149 -1.233 7.256 1.00 0.00 N ATOM 605 CE2 TRP B 1 -6.267 -0.916 6.263 1.00 0.00 C ATOM 606 CE3 TRP B 1 -4.327 0.523 5.920 1.00 0.00 C ATOM 607 CZ2 TRP B 1 -6.145 -1.373 4.947 1.00 0.00 C ATOM 608 CZ3 TRP B 1 -4.217 0.055 4.609 1.00 0.00 C ATOM 609 CH2 TRP B 1 -5.125 -0.890 4.125 1.00 0.00 C ATOM 0 H1 TRP B 1 -3.279 -0.324 8.323 1.00 0.00 H new ATOM 0 H2 TRP B 1 -2.251 -0.426 9.670 1.00 0.00 H new ATOM 0 H3 TRP B 1 -3.582 -1.472 9.537 1.00 0.00 H new ATOM 0 HA TRP B 1 -3.401 1.181 10.534 1.00 0.00 H new ATOM 0 HB2 TRP B 1 -5.698 1.833 9.616 1.00 0.00 H new ATOM 0 HB3 TRP B 1 -4.351 1.950 8.501 1.00 0.00 H new ATOM 0 HD1 TRP B 1 -7.329 -0.536 9.296 1.00 0.00 H new ATOM 0 HE1 TRP B 1 -7.920 -1.897 7.190 1.00 0.00 H new ATOM 0 HE3 TRP B 1 -3.625 1.254 6.292 1.00 0.00 H new ATOM 0 HZ2 TRP B 1 -6.843 -2.103 4.565 1.00 0.00 H new ATOM 0 HZ3 TRP B 1 -3.429 0.424 3.969 1.00 0.00 H new ATOM 0 HH2 TRP B 1 -5.038 -1.249 3.110 1.00 0.00 H new ATOM 622 N SER B 2 -5.562 -1.253 10.948 1.00 0.00 N ATOM 623 CA SER B 2 -6.365 -1.944 11.978 1.00 0.00 C ATOM 624 C SER B 2 -5.467 -2.727 12.954 1.00 0.00 C ATOM 625 O SER B 2 -4.238 -2.719 12.890 1.00 0.00 O ATOM 626 CB SER B 2 -7.348 -2.908 11.273 1.00 0.00 C ATOM 627 OG SER B 2 -8.346 -3.366 12.190 1.00 0.00 O ATOM 0 H SER B 2 -5.589 -1.693 10.028 1.00 0.00 H new ATOM 0 HA SER B 2 -6.914 -1.202 12.558 1.00 0.00 H new ATOM 0 HB2 SER B 2 -7.823 -2.402 10.433 1.00 0.00 H new ATOM 0 HB3 SER B 2 -6.802 -3.759 10.865 1.00 0.00 H new ATOM 0 HG SER B 2 -8.961 -3.973 11.728 1.00 0.00 H new ATOM 633 N THR B 3 -6.104 -3.419 13.902 1.00 0.00 N ATOM 634 CA THR B 3 -5.370 -4.291 14.839 1.00 0.00 C ATOM 635 C THR B 3 -4.635 -5.408 14.083 1.00 0.00 C ATOM 636 O THR B 3 -3.413 -5.562 14.123 1.00 0.00 O ATOM 637 CB THR B 3 -6.362 -4.896 15.862 1.00 0.00 C ATOM 638 OG1 THR B 3 -7.000 -3.835 16.580 1.00 0.00 O ATOM 639 CG2 THR B 3 -5.684 -5.845 16.874 1.00 0.00 C ATOM 0 H THR B 3 -7.114 -3.398 14.045 1.00 0.00 H new ATOM 0 HA THR B 3 -4.625 -3.696 15.366 1.00 0.00 H new ATOM 0 HB THR B 3 -7.084 -5.485 15.297 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.631 -4.212 17.228 1.00 0.00 H new ATOM 0 HG21 THR B 3 -6.432 -6.236 17.564 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.215 -6.672 16.340 1.00 0.00 H new ATOM 0 HG23 THR B 3 -4.925 -5.298 17.434 1.00 0.00 H new ATOM 647 N ILE B 4 -5.433 -6.201 13.363 1.00 0.00 N ATOM 648 CA ILE B 4 -4.913 -7.332 12.573 1.00 0.00 C ATOM 649 C ILE B 4 -4.369 -6.876 11.211 1.00 0.00 C ATOM 650 O ILE B 4 -3.261 -7.213 10.791 1.00 0.00 O ATOM 651 CB ILE B 4 -6.037 -8.384 12.383 1.00 0.00 C ATOM 652 CG1 ILE B 4 -6.617 -8.872 13.735 1.00 0.00 C ATOM 653 CG2 ILE B 4 -5.582 -9.579 11.513 1.00 0.00 C ATOM 654 CD1 ILE B 4 -5.567 -9.500 14.677 1.00 0.00 C ATOM 0 H ILE B 4 -6.445 -6.084 13.308 1.00 0.00 H new ATOM 0 HA ILE B 4 -4.080 -7.776 13.118 1.00 0.00 H new ATOM 0 HB ILE B 4 -6.838 -7.876 11.846 1.00 0.00 H new ATOM 0 HG12 ILE B 4 -7.088 -8.030 14.242 1.00 0.00 H new ATOM 0 HG13 ILE B 4 -7.400 -9.605 13.540 1.00 0.00 H new ATOM 0 HG21 ILE B 4 -6.404 -10.288 11.410 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -5.286 -9.220 10.527 1.00 0.00 H new ATOM 0 HG23 ILE B 4 -4.735 -10.073 11.988 1.00 0.00 H new ATOM 0 HD11 ILE B 4 -6.050 -9.816 15.601 1.00 0.00 H new ATOM 0 HD12 ILE B 4 -5.113 -10.363 14.191 1.00 0.00 H new ATOM 0 HD13 ILE B 4 -4.796 -8.764 14.904 1.00 0.00 H new ATOM 666 N VAL B 5 -5.194 -6.084 10.512 1.00 0.00 N ATOM 667 CA VAL B 5 -4.890 -5.658 9.129 1.00 0.00 C ATOM 668 C VAL B 5 -3.514 -4.992 9.018 1.00 0.00 C ATOM 669 O VAL B 5 -2.709 -5.315 8.149 1.00 0.00 O ATOM 670 CB VAL B 5 -5.981 -4.704 8.581 1.00 0.00 C ATOM 671 CG1 VAL B 5 -5.724 -4.321 7.107 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.402 -5.293 8.740 1.00 0.00 C ATOM 0 H VAL B 5 -6.076 -5.724 10.876 1.00 0.00 H new ATOM 0 HA VAL B 5 -4.876 -6.564 8.524 1.00 0.00 H new ATOM 0 HB VAL B 5 -5.922 -3.798 9.184 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -6.512 -3.651 6.762 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -4.760 -3.820 7.024 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -5.719 -5.221 6.493 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.134 -4.590 8.342 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.469 -6.234 8.194 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.606 -5.471 9.796 1.00 0.00 H new ATOM 682 N LYS B 6 -3.250 -4.049 9.931 1.00 0.00 N ATOM 683 CA LYS B 6 -1.963 -3.319 9.961 1.00 0.00 C ATOM 684 C LYS B 6 -0.761 -4.264 9.844 1.00 0.00 C ATOM 685 O LYS B 6 0.071 -4.174 8.944 1.00 0.00 O ATOM 686 CB LYS B 6 -1.859 -2.542 11.292 1.00 0.00 C ATOM 687 CG LYS B 6 -0.588 -1.676 11.432 1.00 0.00 C ATOM 688 CD LYS B 6 -0.434 -1.081 12.849 1.00 0.00 C ATOM 689 CE LYS B 6 -1.616 -0.191 13.290 1.00 0.00 C ATOM 690 NZ LYS B 6 -1.752 0.955 12.381 1.00 0.00 N ATOM 0 H LYS B 6 -3.906 -3.769 10.661 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.942 -2.642 9.107 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.734 -1.899 11.392 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -1.891 -3.254 12.117 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.288 -2.281 11.198 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.621 -0.867 10.703 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -0.320 -1.896 13.564 1.00 0.00 H new ATOM 0 HD3 LYS B 6 0.483 -0.494 12.887 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -2.538 -0.773 13.294 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -1.456 0.160 14.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -2.716 1.339 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -1.067 1.691 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -1.570 0.647 11.405 1.00 0.00 H new ATOM 704 N LEU B 7 -0.709 -5.218 10.776 1.00 0.00 N ATOM 705 CA LEU B 7 0.392 -6.199 10.843 1.00 0.00 C ATOM 706 C LEU B 7 0.671 -6.867 9.486 1.00 0.00 C ATOM 707 O LEU B 7 1.807 -7.062 9.052 1.00 0.00 O ATOM 708 CB LEU B 7 0.031 -7.284 11.884 1.00 0.00 C ATOM 709 CG LEU B 7 -0.253 -6.721 13.298 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.711 -7.838 14.257 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.959 -5.959 13.879 1.00 0.00 C ATOM 0 H LEU B 7 -1.417 -5.337 11.501 1.00 0.00 H new ATOM 0 HA LEU B 7 1.297 -5.664 11.132 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.846 -7.830 11.537 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.849 -8.002 11.946 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.065 -6.001 13.195 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.904 -7.415 15.243 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.623 -8.295 13.874 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.070 -8.595 14.333 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.711 -5.583 14.872 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.813 -6.633 13.949 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.210 -5.122 13.227 1.00 0.00 H new ATOM 723 N THR B 8 -0.425 -7.212 8.805 1.00 0.00 N ATOM 724 CA THR B 8 -0.358 -7.916 7.513 1.00 0.00 C ATOM 725 C THR B 8 0.129 -7.018 6.360 1.00 0.00 C ATOM 726 O THR B 8 1.183 -7.224 5.756 1.00 0.00 O ATOM 727 CB THR B 8 -1.759 -8.496 7.191 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.206 -9.301 8.287 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.763 -9.359 5.915 1.00 0.00 C ATOM 0 H THR B 8 -1.374 -7.016 9.125 1.00 0.00 H new ATOM 0 HA THR B 8 0.378 -8.715 7.605 1.00 0.00 H new ATOM 0 HB THR B 8 -2.425 -7.649 7.027 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.092 -9.666 8.084 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.769 -9.740 5.736 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.448 -8.753 5.065 1.00 0.00 H new ATOM 0 HG23 THR B 8 -1.075 -10.195 6.039 1.00 0.00 H new ATOM 737 N ILE B 9 -0.667 -5.986 6.056 1.00 0.00 N ATOM 738 CA ILE B 9 -0.454 -5.162 4.848 1.00 0.00 C ATOM 739 C ILE B 9 0.687 -4.139 4.984 1.00 0.00 C ATOM 740 O ILE B 9 1.549 -4.004 4.119 1.00 0.00 O ATOM 741 CB ILE B 9 -1.782 -4.473 4.425 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.691 -3.864 3.006 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.264 -3.390 5.419 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.478 -4.908 1.890 1.00 0.00 C ATOM 0 H ILE B 9 -1.463 -5.698 6.624 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.135 -5.846 4.061 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.522 -5.273 4.428 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.606 -3.308 2.800 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.870 -3.147 2.981 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.195 -2.953 5.058 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.430 -3.842 6.397 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.507 -2.611 5.503 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.425 -4.404 0.925 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.548 -5.448 2.069 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.311 -5.611 1.886 1.00 0.00 H new ATOM 756 N CYS B 10 0.681 -3.410 6.106 1.00 0.00 N ATOM 757 CA CYS B 10 1.614 -2.287 6.350 1.00 0.00 C ATOM 758 C CYS B 10 3.082 -2.523 5.958 1.00 0.00 C ATOM 759 O CYS B 10 3.663 -1.657 5.307 1.00 0.00 O ATOM 760 CB CYS B 10 1.548 -1.837 7.821 1.00 0.00 C ATOM 761 SG CYS B 10 -0.029 -1.034 8.190 1.00 0.00 S ATOM 0 H CYS B 10 0.032 -3.576 6.875 1.00 0.00 H new ATOM 0 HA CYS B 10 1.260 -1.507 5.676 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.681 -2.699 8.474 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.367 -1.149 8.030 1.00 0.00 H new ATOM 766 N PRO B 11 3.737 -3.637 6.324 1.00 0.00 N ATOM 767 CA PRO B 11 5.137 -3.905 5.931 1.00 0.00 C ATOM 768 C PRO B 11 5.362 -3.767 4.418 1.00 0.00 C ATOM 769 O PRO B 11 6.313 -3.151 3.936 1.00 0.00 O ATOM 770 CB PRO B 11 5.408 -5.339 6.428 1.00 0.00 C ATOM 771 CG PRO B 11 4.020 -5.932 6.624 1.00 0.00 C ATOM 772 CD PRO B 11 3.206 -4.741 7.140 1.00 0.00 C ATOM 0 HA PRO B 11 5.824 -3.180 6.368 1.00 0.00 H new ATOM 0 HB2 PRO B 11 5.987 -5.910 5.702 1.00 0.00 H new ATOM 0 HB3 PRO B 11 5.976 -5.338 7.358 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.614 -6.325 5.692 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.030 -6.754 7.339 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.136 -4.882 6.990 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.359 -4.572 8.206 1.00 0.00 H new ATOM 780 N THR B 12 4.434 -4.358 3.660 1.00 0.00 N ATOM 781 CA THR B 12 4.431 -4.236 2.188 1.00 0.00 C ATOM 782 C THR B 12 4.283 -2.767 1.755 1.00 0.00 C ATOM 783 O THR B 12 5.029 -2.238 0.934 1.00 0.00 O ATOM 784 CB THR B 12 3.272 -5.075 1.590 1.00 0.00 C ATOM 785 OG1 THR B 12 3.353 -6.417 2.083 1.00 0.00 O ATOM 786 CG2 THR B 12 3.312 -5.124 0.047 1.00 0.00 C ATOM 0 H THR B 12 3.674 -4.926 4.034 1.00 0.00 H new ATOM 0 HA THR B 12 5.384 -4.611 1.815 1.00 0.00 H new ATOM 0 HB THR B 12 2.341 -4.595 1.892 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.724 -6.985 1.590 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.479 -5.724 -0.320 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.234 -4.112 -0.351 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.252 -5.570 -0.279 1.00 0.00 H new ATOM 794 N LEU B 13 3.285 -2.098 2.341 1.00 0.00 N ATOM 795 CA LEU B 13 2.964 -0.698 1.997 1.00 0.00 C ATOM 796 C LEU B 13 4.143 0.268 2.180 1.00 0.00 C ATOM 797 O LEU B 13 4.338 1.217 1.424 1.00 0.00 O ATOM 798 CB LEU B 13 1.776 -0.189 2.845 1.00 0.00 C ATOM 799 CG LEU B 13 0.485 -1.019 2.688 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.648 -0.463 3.578 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.026 -1.124 1.217 1.00 0.00 C ATOM 0 H LEU B 13 2.681 -2.499 3.058 1.00 0.00 H new ATOM 0 HA LEU B 13 2.709 -0.711 0.937 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.068 -0.188 3.895 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.565 0.845 2.571 1.00 0.00 H new ATOM 0 HG LEU B 13 0.721 -2.029 3.022 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.545 -1.068 3.446 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.339 -0.495 4.623 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.861 0.568 3.294 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.886 -1.718 1.162 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.167 -0.126 0.824 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.807 -1.602 0.626 1.00 0.00 H new ATOM 813 N LYS B 14 4.926 0.030 3.236 1.00 0.00 N ATOM 814 CA LYS B 14 6.112 0.858 3.535 1.00 0.00 C ATOM 815 C LYS B 14 7.229 0.681 2.498 1.00 0.00 C ATOM 816 O LYS B 14 7.905 1.620 2.085 1.00 0.00 O ATOM 817 CB LYS B 14 6.642 0.533 4.949 1.00 0.00 C ATOM 818 CG LYS B 14 5.676 0.958 6.082 1.00 0.00 C ATOM 819 CD LYS B 14 5.251 2.449 6.068 1.00 0.00 C ATOM 820 CE LYS B 14 6.405 3.461 6.243 1.00 0.00 C ATOM 821 NZ LYS B 14 7.261 3.492 5.047 1.00 0.00 N ATOM 0 H LYS B 14 4.766 -0.727 3.901 1.00 0.00 H new ATOM 0 HA LYS B 14 5.797 1.900 3.491 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.826 -0.539 5.022 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.600 1.032 5.093 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.779 0.341 6.022 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.149 0.741 7.040 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.745 2.658 5.125 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.523 2.611 6.863 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.998 4.455 6.430 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.001 3.192 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.646 4.450 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.044 2.817 5.163 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.700 3.231 4.211 1.00 0.00 H new ATOM 835 N SER B 15 7.436 -0.578 2.096 1.00 0.00 N ATOM 836 CA SER B 15 8.391 -0.892 1.015 1.00 0.00 C ATOM 837 C SER B 15 8.051 -0.109 -0.264 1.00 0.00 C ATOM 838 O SER B 15 8.894 0.488 -0.933 1.00 0.00 O ATOM 839 CB SER B 15 8.383 -2.410 0.733 1.00 0.00 C ATOM 840 OG SER B 15 8.730 -3.122 1.924 1.00 0.00 O ATOM 0 H SER B 15 6.964 -1.390 2.494 1.00 0.00 H new ATOM 0 HA SER B 15 9.389 -0.594 1.337 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.397 -2.720 0.386 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.090 -2.646 -0.063 1.00 0.00 H new ATOM 0 HG SER B 15 7.968 -3.120 2.540 1.00 0.00 H new ATOM 846 N MET B 16 6.754 -0.121 -0.586 1.00 0.00 N ATOM 847 CA MET B 16 6.210 0.661 -1.711 1.00 0.00 C ATOM 848 C MET B 16 6.418 2.170 -1.511 1.00 0.00 C ATOM 849 O MET B 16 6.825 2.907 -2.408 1.00 0.00 O ATOM 850 CB MET B 16 4.700 0.364 -1.845 1.00 0.00 C ATOM 851 CG MET B 16 4.057 1.064 -3.060 1.00 0.00 C ATOM 852 SD MET B 16 2.279 0.754 -3.194 1.00 0.00 S ATOM 853 CE MET B 16 1.684 1.538 -1.673 1.00 0.00 C ATOM 0 H MET B 16 6.054 -0.666 -0.083 1.00 0.00 H new ATOM 0 HA MET B 16 6.741 0.370 -2.617 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.553 -0.712 -1.932 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.190 0.683 -0.936 1.00 0.00 H new ATOM 0 HG2 MET B 16 4.229 2.138 -2.987 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.549 0.724 -3.971 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.790 2.123 -1.891 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.445 0.770 -0.937 1.00 0.00 H new ATOM 0 HE3 MET B 16 2.458 2.194 -1.275 1.00 0.00 H new ATOM 863 N ALA B 17 6.138 2.608 -0.276 1.00 0.00 N ATOM 864 CA ALA B 17 6.143 4.038 0.107 1.00 0.00 C ATOM 865 C ALA B 17 7.430 4.761 -0.310 1.00 0.00 C ATOM 866 O ALA B 17 7.446 5.923 -0.715 1.00 0.00 O ATOM 867 CB ALA B 17 5.951 4.166 1.633 1.00 0.00 C ATOM 0 H ALA B 17 5.900 1.982 0.493 1.00 0.00 H new ATOM 0 HA ALA B 17 5.319 4.515 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.955 5.219 1.913 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.999 3.718 1.919 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.763 3.651 2.146 1.00 0.00 H new ATOM 873 N LYS B 18 8.539 4.028 -0.191 1.00 0.00 N ATOM 874 CA LYS B 18 9.863 4.527 -0.616 1.00 0.00 C ATOM 875 C LYS B 18 9.835 5.098 -2.044 1.00 0.00 C ATOM 876 O LYS B 18 10.241 6.228 -2.316 1.00 0.00 O ATOM 877 CB LYS B 18 10.875 3.365 -0.530 1.00 0.00 C ATOM 878 CG LYS B 18 11.028 2.837 0.913 1.00 0.00 C ATOM 879 CD LYS B 18 11.920 1.585 1.011 1.00 0.00 C ATOM 880 CE LYS B 18 12.088 1.092 2.467 1.00 0.00 C ATOM 881 NZ LYS B 18 10.780 0.724 3.032 1.00 0.00 N ATOM 0 H LYS B 18 8.554 3.084 0.196 1.00 0.00 H new ATOM 0 HA LYS B 18 10.156 5.342 0.046 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.551 2.553 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.845 3.701 -0.898 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.449 3.625 1.538 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.042 2.604 1.314 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.488 0.787 0.408 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.901 1.807 0.590 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.758 0.233 2.493 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.547 1.873 3.073 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 10.638 1.224 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 10.027 0.990 2.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 10.750 -0.302 3.197 1.00 0.00 H new ATOM 895 N LYS B 19 9.328 4.279 -2.972 1.00 0.00 N ATOM 896 CA LYS B 19 9.187 4.691 -4.381 1.00 0.00 C ATOM 897 C LYS B 19 7.775 5.245 -4.682 1.00 0.00 C ATOM 898 O LYS B 19 7.110 4.908 -5.662 1.00 0.00 O ATOM 899 CB LYS B 19 9.505 3.454 -5.262 1.00 0.00 C ATOM 900 CG LYS B 19 9.634 3.706 -6.787 1.00 0.00 C ATOM 901 CD LYS B 19 10.971 4.326 -7.255 1.00 0.00 C ATOM 902 CE LYS B 19 11.272 5.732 -6.695 1.00 0.00 C ATOM 903 NZ LYS B 19 12.463 6.275 -7.361 1.00 0.00 N ATOM 0 H LYS B 19 9.008 3.330 -2.778 1.00 0.00 H new ATOM 0 HA LYS B 19 9.880 5.504 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.438 3.014 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS B 19 8.722 2.712 -5.104 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.493 2.758 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.822 4.363 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.783 3.657 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.968 4.378 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS B 19 10.419 6.391 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.435 5.680 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.669 7.223 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 13.275 5.649 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.290 6.338 -8.385 1.00 0.00 H new ATOM 917 N CYS B 20 7.319 6.149 -3.802 1.00 0.00 N ATOM 918 CA CYS B 20 6.025 6.840 -3.989 1.00 0.00 C ATOM 919 C CYS B 20 6.191 8.366 -4.073 1.00 0.00 C ATOM 920 O CYS B 20 7.283 8.940 -4.053 1.00 0.00 O ATOM 921 CB CYS B 20 5.030 6.493 -2.850 1.00 0.00 C ATOM 922 SG CYS B 20 4.619 4.733 -2.733 1.00 0.00 S ATOM 0 H CYS B 20 7.821 6.421 -2.957 1.00 0.00 H new ATOM 0 HA CYS B 20 5.623 6.485 -4.938 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.454 6.819 -1.900 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.111 7.060 -3.000 1.00 0.00 H new ATOM 927 N GLU B 21 5.036 9.029 -4.178 1.00 0.00 N ATOM 928 CA GLU B 21 4.951 10.497 -4.302 1.00 0.00 C ATOM 929 C GLU B 21 5.390 11.230 -3.021 1.00 0.00 C ATOM 930 O GLU B 21 5.816 10.653 -2.020 1.00 0.00 O ATOM 931 CB GLU B 21 3.489 10.878 -4.653 1.00 0.00 C ATOM 932 CG GLU B 21 3.006 10.416 -6.052 1.00 0.00 C ATOM 933 CD GLU B 21 3.055 8.887 -6.205 1.00 0.00 C ATOM 934 OE1 GLU B 21 2.315 8.193 -5.509 1.00 0.00 O ATOM 935 OE2 GLU B 21 3.843 8.406 -7.017 1.00 0.00 O ATOM 0 H GLU B 21 4.127 8.566 -4.180 1.00 0.00 H new ATOM 0 HA GLU B 21 5.636 10.809 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.828 10.452 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.387 11.961 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.986 10.764 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.627 10.877 -6.820 1.00 0.00 H new ATOM 942 N GLY B 22 5.258 12.561 -3.080 1.00 0.00 N ATOM 943 CA GLY B 22 5.710 13.472 -2.007 1.00 0.00 C ATOM 944 C GLY B 22 5.233 13.067 -0.608 1.00 0.00 C ATOM 945 O GLY B 22 6.012 12.889 0.328 1.00 0.00 O ATOM 0 H GLY B 22 4.834 13.043 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.799 13.511 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY B 22 5.354 14.479 -2.224 1.00 0.00 H new ATOM 949 N SER B 23 3.911 12.923 -0.473 1.00 0.00 N ATOM 950 CA SER B 23 3.316 12.519 0.818 1.00 0.00 C ATOM 951 C SER B 23 2.173 11.502 0.665 1.00 0.00 C ATOM 952 O SER B 23 1.255 11.384 1.475 1.00 0.00 O ATOM 953 CB SER B 23 2.827 13.774 1.573 1.00 0.00 C ATOM 954 OG SER B 23 3.940 14.617 1.882 1.00 0.00 O ATOM 0 H SER B 23 3.237 13.076 -1.224 1.00 0.00 H new ATOM 0 HA SER B 23 4.095 12.016 1.391 1.00 0.00 H new ATOM 0 HB2 SER B 23 2.105 14.318 0.964 1.00 0.00 H new ATOM 0 HB3 SER B 23 2.315 13.482 2.490 1.00 0.00 H new ATOM 0 HG SER B 23 3.625 15.413 2.359 1.00 0.00 H new ATOM 960 N ILE B 24 2.258 10.728 -0.420 1.00 0.00 N ATOM 961 CA ILE B 24 1.489 9.475 -0.530 1.00 0.00 C ATOM 962 C ILE B 24 2.067 8.456 0.460 1.00 0.00 C ATOM 963 O ILE B 24 1.380 7.804 1.249 1.00 0.00 O ATOM 964 CB ILE B 24 1.541 8.957 -1.992 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.682 9.831 -2.944 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.187 7.461 -2.115 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.834 9.786 -2.658 1.00 0.00 C ATOM 0 H ILE B 24 2.843 10.939 -1.229 1.00 0.00 H new ATOM 0 HA ILE B 24 0.441 9.642 -0.280 1.00 0.00 H new ATOM 0 HB ILE B 24 2.580 9.050 -2.309 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.022 10.864 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.855 9.507 -3.970 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.241 7.159 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE B 24 1.892 6.871 -1.530 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.177 7.294 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.358 10.425 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.193 8.762 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -1.024 10.140 -1.645 1.00 0.00 H new ATOM 979 N ALA B 25 3.397 8.344 0.389 1.00 0.00 N ATOM 980 CA ALA B 25 4.193 7.555 1.349 1.00 0.00 C ATOM 981 C ALA B 25 3.881 7.925 2.805 1.00 0.00 C ATOM 982 O ALA B 25 3.756 7.088 3.698 1.00 0.00 O ATOM 983 CB ALA B 25 5.682 7.844 1.073 1.00 0.00 C ATOM 0 H ALA B 25 3.957 8.796 -0.334 1.00 0.00 H new ATOM 0 HA ALA B 25 3.949 6.501 1.218 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.298 7.274 1.768 1.00 0.00 H new ATOM 0 HB2 ALA B 25 5.925 7.554 0.051 1.00 0.00 H new ATOM 0 HB3 ALA B 25 5.876 8.908 1.204 1.00 0.00 H new ATOM 989 N THR B 26 3.769 9.238 3.033 1.00 0.00 N ATOM 990 CA THR B 26 3.473 9.782 4.372 1.00 0.00 C ATOM 991 C THR B 26 2.157 9.222 4.931 1.00 0.00 C ATOM 992 O THR B 26 2.086 8.675 6.030 1.00 0.00 O ATOM 993 CB THR B 26 3.405 11.329 4.302 1.00 0.00 C ATOM 994 OG1 THR B 26 4.644 11.834 3.793 1.00 0.00 O ATOM 995 CG2 THR B 26 3.135 11.978 5.676 1.00 0.00 C ATOM 0 H THR B 26 3.878 9.948 2.309 1.00 0.00 H new ATOM 0 HA THR B 26 4.274 9.479 5.046 1.00 0.00 H new ATOM 0 HB THR B 26 2.573 11.584 3.645 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.604 12.812 3.746 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.098 13.062 5.566 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.182 11.620 6.066 1.00 0.00 H new ATOM 0 HG23 THR B 26 3.934 11.711 6.368 1.00 0.00 H new ATOM 1003 N MET B 27 1.094 9.362 4.131 1.00 0.00 N ATOM 1004 CA MET B 27 -0.248 8.884 4.522 1.00 0.00 C ATOM 1005 C MET B 27 -0.296 7.381 4.830 1.00 0.00 C ATOM 1006 O MET B 27 -0.957 6.923 5.760 1.00 0.00 O ATOM 1007 CB MET B 27 -1.284 9.230 3.433 1.00 0.00 C ATOM 1008 CG MET B 27 -1.555 10.747 3.343 1.00 0.00 C ATOM 1009 SD MET B 27 -2.873 11.150 2.170 1.00 0.00 S ATOM 1010 CE MET B 27 -2.083 10.665 0.616 1.00 0.00 C ATOM 0 H MET B 27 1.131 9.800 3.211 1.00 0.00 H new ATOM 0 HA MET B 27 -0.495 9.403 5.448 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.928 8.869 2.468 1.00 0.00 H new ATOM 0 HB3 MET B 27 -2.218 8.708 3.644 1.00 0.00 H new ATOM 0 HG2 MET B 27 -1.824 11.123 4.330 1.00 0.00 H new ATOM 0 HG3 MET B 27 -0.640 11.259 3.045 1.00 0.00 H new ATOM 0 HE1 MET B 27 -2.845 10.526 -0.151 1.00 0.00 H new ATOM 0 HE2 MET B 27 -1.389 11.445 0.302 1.00 0.00 H new ATOM 0 HE3 MET B 27 -1.539 9.732 0.760 1.00 0.00 H new ATOM 1020 N ILE B 28 0.418 6.603 4.009 1.00 0.00 N ATOM 1021 CA ILE B 28 0.546 5.148 4.234 1.00 0.00 C ATOM 1022 C ILE B 28 1.032 4.840 5.658 1.00 0.00 C ATOM 1023 O ILE B 28 0.443 4.064 6.413 1.00 0.00 O ATOM 1024 CB ILE B 28 1.520 4.545 3.184 1.00 0.00 C ATOM 1025 CG1 ILE B 28 0.908 4.579 1.763 1.00 0.00 C ATOM 1026 CG2 ILE B 28 1.984 3.119 3.568 1.00 0.00 C ATOM 1027 CD1 ILE B 28 1.907 4.165 0.661 1.00 0.00 C ATOM 0 H ILE B 28 0.915 6.947 3.187 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.438 4.693 4.120 1.00 0.00 H new ATOM 0 HB ILE B 28 2.410 5.175 3.177 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.045 3.914 1.730 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.544 5.585 1.555 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.663 2.739 2.804 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.499 3.150 4.528 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.117 2.462 3.642 1.00 0.00 H new ATOM 0 HD11 ILE B 28 1.416 4.210 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE B 28 2.759 4.844 0.669 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.252 3.148 0.846 1.00 0.00 H new ATOM 1039 N LYS B 29 2.146 5.482 6.018 1.00 0.00 N ATOM 1040 CA LYS B 29 2.763 5.294 7.344 1.00 0.00 C ATOM 1041 C LYS B 29 1.833 5.729 8.486 1.00 0.00 C ATOM 1042 O LYS B 29 1.705 5.078 9.523 1.00 0.00 O ATOM 1043 CB LYS B 29 4.076 6.100 7.419 1.00 0.00 C ATOM 1044 CG LYS B 29 4.890 5.769 8.690 1.00 0.00 C ATOM 1045 CD LYS B 29 6.263 6.470 8.744 1.00 0.00 C ATOM 1046 CE LYS B 29 6.155 8.010 8.747 1.00 0.00 C ATOM 1047 NZ LYS B 29 7.502 8.589 8.837 1.00 0.00 N ATOM 0 H LYS B 29 2.643 6.137 5.414 1.00 0.00 H new ATOM 0 HA LYS B 29 2.960 4.229 7.466 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.681 5.890 6.537 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.848 7.166 7.402 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.310 6.056 9.567 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.040 4.691 8.745 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.795 6.147 9.639 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.859 6.155 7.888 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.659 8.353 7.839 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.547 8.342 9.588 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.434 9.627 8.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.959 8.270 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.068 8.281 8.020 1.00 0.00 H new ATOM 1061 N LYS B 30 1.183 6.878 8.276 1.00 0.00 N ATOM 1062 CA LYS B 30 0.285 7.480 9.280 1.00 0.00 C ATOM 1063 C LYS B 30 -0.856 6.541 9.690 1.00 0.00 C ATOM 1064 O LYS B 30 -1.158 6.329 10.864 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.293 8.802 8.724 1.00 0.00 C ATOM 1066 CG LYS B 30 0.754 9.932 8.604 1.00 0.00 C ATOM 1067 CD LYS B 30 0.951 10.800 9.873 1.00 0.00 C ATOM 1068 CE LYS B 30 1.339 10.040 11.163 1.00 0.00 C ATOM 1069 NZ LYS B 30 0.165 9.361 11.732 1.00 0.00 N ATOM 0 H LYS B 30 1.260 7.417 7.414 1.00 0.00 H new ATOM 0 HA LYS B 30 0.875 7.672 10.176 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -0.727 8.614 7.742 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.103 9.136 9.372 1.00 0.00 H new ATOM 0 HG2 LYS B 30 1.713 9.488 8.337 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.465 10.585 7.780 1.00 0.00 H new ATOM 0 HD2 LYS B 30 1.723 11.541 9.666 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.027 11.347 10.062 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.117 9.310 10.942 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.753 10.736 11.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 0.088 9.590 12.743 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.693 9.679 11.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.269 8.333 11.617 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.515 5.986 8.667 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.548 4.951 8.862 1.00 0.00 C ATOM 1085 C LYS B 31 -1.995 3.768 9.663 1.00 0.00 C ATOM 1086 O LYS B 31 -2.501 3.358 10.707 1.00 0.00 O ATOM 1087 CB LYS B 31 -3.015 4.460 7.473 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.846 5.503 6.697 1.00 0.00 C ATOM 1089 CD LYS B 31 -5.241 5.766 7.309 1.00 0.00 C ATOM 1090 CE LYS B 31 -6.106 4.493 7.455 1.00 0.00 C ATOM 1091 NZ LYS B 31 -6.247 3.818 6.155 1.00 0.00 N ATOM 0 H LYS B 31 -1.354 6.234 7.691 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.382 5.377 9.420 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.141 4.189 6.880 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.609 3.554 7.598 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -3.292 6.441 6.660 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -3.968 5.165 5.668 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.117 6.225 8.290 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.772 6.486 6.686 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.649 3.816 8.176 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.090 4.756 7.844 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.937 3.045 6.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.576 4.501 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.327 3.431 5.863 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.900 3.225 9.129 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.132 2.154 9.784 1.00 0.00 C ATOM 1107 C CYS B 32 0.520 2.614 11.098 1.00 0.00 C ATOM 1108 O CYS B 32 0.360 3.735 11.585 1.00 0.00 O ATOM 1109 CB CYS B 32 0.955 1.706 8.783 1.00 0.00 C ATOM 1110 SG CYS B 32 0.243 0.799 7.390 1.00 0.00 S ATOM 0 H CYS B 32 -0.516 3.513 8.229 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.804 1.337 10.048 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.492 2.579 8.413 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.684 1.076 9.294 1.00 0.00 H new ATOM 1115 N ASP B 33 1.266 1.684 11.700 1.00 0.00 N ATOM 1116 CA ASP B 33 2.053 1.990 12.908 1.00 0.00 C ATOM 1117 C ASP B 33 3.165 0.955 13.116 1.00 0.00 C ATOM 1118 O ASP B 33 3.155 -0.174 12.619 1.00 0.00 O ATOM 1119 CB ASP B 33 1.121 2.016 14.147 1.00 0.00 C ATOM 1120 CG ASP B 33 1.899 2.428 15.408 1.00 0.00 C ATOM 1121 OD1 ASP B 33 2.357 3.569 15.474 1.00 0.00 O ATOM 1122 OD2 ASP B 33 2.049 1.601 16.305 1.00 0.00 O ATOM 0 H ASP B 33 1.345 0.719 11.378 1.00 0.00 H new ATOM 0 HA ASP B 33 2.516 2.968 12.778 1.00 0.00 H new ATOM 0 HB2 ASP B 33 0.301 2.714 13.976 1.00 0.00 H new ATOM 0 HB3 ASP B 33 0.677 1.032 14.294 1.00 0.00 H new ATOM 1127 N LYS B 34 4.148 1.378 13.912 1.00 0.00 N ATOM 1128 CA LYS B 34 5.349 0.572 14.207 1.00 0.00 C ATOM 1129 C LYS B 34 6.207 1.171 15.344 1.00 0.00 C ATOM 1130 O LYS B 34 5.840 2.206 15.902 1.00 0.00 O ATOM 1131 CB LYS B 34 6.183 0.376 12.909 1.00 0.00 C ATOM 1132 CG LYS B 34 6.411 1.654 12.063 1.00 0.00 C ATOM 1133 CD LYS B 34 7.191 2.774 12.783 1.00 0.00 C ATOM 1134 CE LYS B 34 7.421 4.010 11.888 1.00 0.00 C ATOM 1135 NZ LYS B 34 8.216 3.638 10.707 1.00 0.00 N ATOM 1136 OXT LYS B 34 7.239 0.586 15.674 1.00 0.00 O ATOM 0 H LYS B 34 4.141 2.288 14.374 1.00 0.00 H new ATOM 0 HA LYS B 34 5.014 -0.401 14.567 1.00 0.00 H new ATOM 0 HB2 LYS B 34 7.155 -0.037 13.181 1.00 0.00 H new ATOM 0 HB3 LYS B 34 5.684 -0.367 12.286 1.00 0.00 H new ATOM 0 HG2 LYS B 34 6.949 1.381 11.155 1.00 0.00 H new ATOM 0 HG3 LYS B 34 5.442 2.046 11.754 1.00 0.00 H new ATOM 0 HD2 LYS B 34 6.645 3.075 13.677 1.00 0.00 H new ATOM 0 HD3 LYS B 34 8.154 2.386 13.114 1.00 0.00 H new ATOM 0 HE2 LYS B 34 6.463 4.425 11.575 1.00 0.00 H new ATOM 0 HE3 LYS B 34 7.936 4.787 12.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 8.580 4.498 10.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 9.013 3.038 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 7.617 3.115 10.036 1.00 0.00 H new TER 1150 LYS B 34