USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 679 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 6 THR OG1 : rot -129:sc= -0.0881 USER MOD Set 1.2: A 12 SER OG : rot 177:sc= -2.9! USER MOD Single : A 1 ILE N :NH3+ 137:sc= 0.00687 (180deg=-0.222) USER MOD Single : A 4 HIS : no HE2:sc= -5.11! C(o=-5.1!,f=-11!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 8 THR OG1 : rot 180:sc= -4.97! USER MOD Single : A 9 SER OG : rot 146:sc= 0.394 USER MOD Single : A 15 THR OG1 : rot 19:sc= 0.142 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -136:sc= -2.55 (180deg=-6.29!) USER MOD Single : A 27 MET CE :methyl 144:sc= -2.5 (180deg=-5.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 134:sc= -2.88! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 93:sc= 0.0746 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 150:sc= -0.131 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 53:sc= -0.486 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -8.92! C(o=-8.9!,f=-18!) USER MOD Single : A 68 HIS : no HE2:sc= -3.66! C(o=-3.7!,f=-5.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.02 K(o=-1,f=-2.3!) USER MOD Single : B 181 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0507) USER MOD Single : B 183 THR OG1 : rot 180:sc= -0.0444 USER MOD Single : B 185 SER OG : rot 160:sc= 0 USER MOD Single : B 187 TYR OH : rot -94:sc= 1.36 USER MOD Single : B 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 194 TYR OH : rot 30:sc= 0.489 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.117 14.320 -4.509 1.00 1.84 N ATOM 2 CA ILE A 1 1.672 12.952 -4.344 1.00 1.28 C ATOM 3 C ILE A 1 0.708 12.058 -3.567 1.00 1.18 C ATOM 4 O ILE A 1 -0.035 12.528 -2.705 1.00 1.52 O ATOM 5 CB ILE A 1 3.034 12.988 -3.625 1.00 1.23 C ATOM 6 CG1 ILE A 1 3.632 11.582 -3.546 1.00 1.40 C ATOM 7 CG2 ILE A 1 2.894 13.596 -2.236 1.00 1.76 C ATOM 8 CD1 ILE A 1 5.119 11.544 -3.817 1.00 1.67 C ATOM 0 H1 ILE A 1 1.865 15.021 -4.335 1.00 1.84 H new ATOM 0 H2 ILE A 1 0.755 14.433 -5.477 1.00 1.84 H new ATOM 0 H3 ILE A 1 0.342 14.464 -3.831 1.00 1.84 H new ATOM 0 HA ILE A 1 1.811 12.537 -5.342 1.00 1.28 H new ATOM 0 HB ILE A 1 3.712 13.617 -4.201 1.00 1.23 H new ATOM 0 HG12 ILE A 1 3.440 11.169 -2.556 1.00 1.40 H new ATOM 0 HG13 ILE A 1 3.123 10.938 -4.264 1.00 1.40 H new ATOM 0 HG21 ILE A 1 3.867 13.612 -1.746 1.00 1.76 H new ATOM 0 HG22 ILE A 1 2.514 14.614 -2.321 1.00 1.76 H new ATOM 0 HG23 ILE A 1 2.200 12.998 -1.645 1.00 1.76 H new ATOM 0 HD11 ILE A 1 5.476 10.517 -3.744 1.00 1.67 H new ATOM 0 HD12 ILE A 1 5.316 11.927 -4.818 1.00 1.67 H new ATOM 0 HD13 ILE A 1 5.638 12.161 -3.084 1.00 1.67 H new ATOM 22 N VAL A 2 0.723 10.767 -3.888 1.00 0.91 N ATOM 23 CA VAL A 2 -0.152 9.800 -3.235 1.00 0.84 C ATOM 24 C VAL A 2 0.631 8.563 -2.794 1.00 0.73 C ATOM 25 O VAL A 2 1.797 8.400 -3.153 1.00 0.75 O ATOM 26 CB VAL A 2 -1.307 9.385 -4.175 1.00 0.97 C ATOM 27 CG1 VAL A 2 -0.808 8.505 -5.313 1.00 1.37 C ATOM 28 CG2 VAL A 2 -2.412 8.687 -3.400 1.00 1.66 C ATOM 0 H VAL A 2 1.334 10.366 -4.599 1.00 0.91 H new ATOM 0 HA VAL A 2 -0.573 10.278 -2.350 1.00 0.84 H new ATOM 0 HB VAL A 2 -1.718 10.294 -4.613 1.00 0.97 H new ATOM 0 HG11 VAL A 2 -1.645 8.231 -5.955 1.00 1.37 H new ATOM 0 HG12 VAL A 2 -0.066 9.051 -5.897 1.00 1.37 H new ATOM 0 HG13 VAL A 2 -0.355 7.602 -4.903 1.00 1.37 H new ATOM 0 HG21 VAL A 2 -3.213 8.405 -4.083 1.00 1.66 H new ATOM 0 HG22 VAL A 2 -2.012 7.793 -2.921 1.00 1.66 H new ATOM 0 HG23 VAL A 2 -2.805 9.361 -2.639 1.00 1.66 H new ATOM 38 N CYS A 3 -0.008 7.698 -2.010 1.00 0.75 N ATOM 39 CA CYS A 3 0.646 6.490 -1.526 1.00 0.76 C ATOM 40 C CYS A 3 -0.374 5.394 -1.221 1.00 0.74 C ATOM 41 O CYS A 3 -1.280 5.580 -0.408 1.00 0.79 O ATOM 42 CB CYS A 3 1.472 6.815 -0.278 1.00 0.86 C ATOM 43 SG CYS A 3 3.135 6.072 -0.274 1.00 1.18 S ATOM 0 H CYS A 3 -0.973 7.812 -1.699 1.00 0.75 H new ATOM 0 HA CYS A 3 1.308 6.118 -2.308 1.00 0.76 H new ATOM 0 HB2 CYS A 3 1.569 7.897 -0.191 1.00 0.86 H new ATOM 0 HB3 CYS A 3 0.930 6.472 0.603 1.00 0.86 H new ATOM 48 N HIS A 4 -0.224 4.253 -1.889 1.00 1.00 N ATOM 49 CA HIS A 4 -1.132 3.121 -1.708 1.00 1.15 C ATOM 50 C HIS A 4 -1.045 2.543 -0.298 1.00 1.39 C ATOM 51 O HIS A 4 0.004 2.605 0.341 1.00 1.83 O ATOM 52 CB HIS A 4 -0.821 2.019 -2.714 1.00 1.50 C ATOM 53 CG HIS A 4 -1.436 2.249 -4.055 1.00 1.65 C ATOM 54 ND1 HIS A 4 -2.761 1.989 -4.336 1.00 2.53 N ATOM 55 CD2 HIS A 4 -0.895 2.716 -5.198 1.00 1.60 C ATOM 56 CE1 HIS A 4 -3.004 2.285 -5.600 1.00 3.06 C ATOM 57 NE2 HIS A 4 -1.888 2.730 -6.146 1.00 2.46 N ATOM 0 H HIS A 4 0.522 4.086 -2.565 1.00 1.00 H new ATOM 0 HA HIS A 4 -2.143 3.496 -1.868 1.00 1.15 H new ATOM 0 HB2 HIS A 4 0.260 1.936 -2.828 1.00 1.50 H new ATOM 0 HB3 HIS A 4 -1.174 1.066 -2.319 1.00 1.50 H new ATOM 0 HD1 HIS A 4 -3.445 1.626 -3.672 1.00 2.53 H new ATOM 0 HD2 HIS A 4 0.131 3.023 -5.342 1.00 1.60 H new ATOM 0 HE1 HIS A 4 -3.955 2.181 -6.102 1.00 3.06 H new ATOM 66 N THR A 5 -2.153 1.958 0.173 1.00 1.34 N ATOM 67 CA THR A 5 -2.196 1.340 1.500 1.00 1.76 C ATOM 68 C THR A 5 -3.625 0.933 1.899 1.00 1.62 C ATOM 69 O THR A 5 -4.096 -0.129 1.500 1.00 2.15 O ATOM 70 CB THR A 5 -1.585 2.261 2.556 1.00 2.22 C ATOM 71 OG1 THR A 5 -1.687 1.689 3.850 1.00 2.90 O ATOM 72 CG2 THR A 5 -2.234 3.619 2.595 1.00 2.13 C ATOM 0 H THR A 5 -3.029 1.901 -0.346 1.00 1.34 H new ATOM 0 HA THR A 5 -1.598 0.430 1.447 1.00 1.76 H new ATOM 0 HB THR A 5 -0.540 2.381 2.270 1.00 2.22 H new ATOM 0 HG1 THR A 5 -1.288 2.296 4.508 1.00 2.90 H new ATOM 0 HG21 THR A 5 -1.758 4.228 3.364 1.00 2.13 H new ATOM 0 HG22 THR A 5 -2.121 4.104 1.626 1.00 2.13 H new ATOM 0 HG23 THR A 5 -3.294 3.509 2.824 1.00 2.13 H new ATOM 80 N THR A 6 -4.307 1.763 2.705 1.00 1.66 N ATOM 81 CA THR A 6 -5.656 1.468 3.169 1.00 2.10 C ATOM 82 C THR A 6 -5.638 0.353 4.225 1.00 1.68 C ATOM 83 O THR A 6 -6.661 0.049 4.837 1.00 2.39 O ATOM 84 CB THR A 6 -6.552 1.120 1.978 1.00 2.95 C ATOM 85 OG1 THR A 6 -7.812 1.755 2.098 1.00 3.66 O ATOM 86 CG2 THR A 6 -6.809 -0.361 1.789 1.00 3.19 C ATOM 0 H THR A 6 -3.935 2.649 3.047 1.00 1.66 H new ATOM 0 HA THR A 6 -6.071 2.353 3.651 1.00 2.10 H new ATOM 0 HB THR A 6 -5.995 1.475 1.111 1.00 2.95 H new ATOM 0 HG1 THR A 6 -8.525 1.093 1.979 1.00 3.66 H new ATOM 0 HG21 THR A 6 -7.453 -0.511 0.922 1.00 3.19 H new ATOM 0 HG22 THR A 6 -5.862 -0.877 1.631 1.00 3.19 H new ATOM 0 HG23 THR A 6 -7.297 -0.762 2.677 1.00 3.19 H new ATOM 94 N ALA A 7 -4.448 -0.222 4.435 1.00 1.08 N ATOM 95 CA ALA A 7 -4.221 -1.294 5.417 1.00 1.16 C ATOM 96 C ALA A 7 -5.456 -2.149 5.689 1.00 1.13 C ATOM 97 O ALA A 7 -5.673 -2.599 6.814 1.00 1.34 O ATOM 98 CB ALA A 7 -3.697 -0.705 6.720 1.00 1.59 C ATOM 0 H ALA A 7 -3.606 0.045 3.924 1.00 1.08 H new ATOM 0 HA ALA A 7 -3.478 -1.960 4.978 1.00 1.16 H new ATOM 0 HB1 ALA A 7 -3.532 -1.506 7.441 1.00 1.59 H new ATOM 0 HB2 ALA A 7 -2.757 -0.186 6.533 1.00 1.59 H new ATOM 0 HB3 ALA A 7 -4.427 -0.001 7.120 1.00 1.59 H new ATOM 104 N THR A 8 -6.242 -2.399 4.654 1.00 1.25 N ATOM 105 CA THR A 8 -7.429 -3.238 4.795 1.00 1.44 C ATOM 106 C THR A 8 -7.104 -4.647 4.330 1.00 1.50 C ATOM 107 O THR A 8 -7.082 -5.590 5.117 1.00 2.19 O ATOM 108 CB THR A 8 -8.602 -2.682 3.988 1.00 1.67 C ATOM 109 OG1 THR A 8 -8.240 -2.501 2.633 1.00 2.24 O ATOM 110 CG2 THR A 8 -9.123 -1.361 4.513 1.00 2.08 C ATOM 0 H THR A 8 -6.085 -2.038 3.713 1.00 1.25 H new ATOM 0 HA THR A 8 -7.722 -3.250 5.845 1.00 1.44 H new ATOM 0 HB THR A 8 -9.394 -3.424 4.085 1.00 1.67 H new ATOM 0 HG1 THR A 8 -9.006 -2.146 2.134 1.00 2.24 H new ATOM 0 HG21 THR A 8 -9.954 -1.025 3.893 1.00 2.08 H new ATOM 0 HG22 THR A 8 -9.464 -1.487 5.540 1.00 2.08 H new ATOM 0 HG23 THR A 8 -8.326 -0.618 4.484 1.00 2.08 H new ATOM 118 N SER A 9 -6.831 -4.763 3.037 1.00 1.21 N ATOM 119 CA SER A 9 -6.471 -6.028 2.415 1.00 1.26 C ATOM 120 C SER A 9 -6.332 -5.847 0.915 1.00 1.26 C ATOM 121 O SER A 9 -5.258 -6.068 0.359 1.00 1.68 O ATOM 122 CB SER A 9 -7.473 -7.108 2.776 1.00 1.48 C ATOM 123 OG SER A 9 -7.693 -8.003 1.697 1.00 1.90 O ATOM 0 H SER A 9 -6.854 -3.977 2.388 1.00 1.21 H new ATOM 0 HA SER A 9 -5.504 -6.356 2.798 1.00 1.26 H new ATOM 0 HB2 SER A 9 -7.113 -7.664 3.642 1.00 1.48 H new ATOM 0 HB3 SER A 9 -8.417 -6.646 3.064 1.00 1.48 H new ATOM 0 HG SER A 9 -7.856 -8.904 2.047 1.00 1.90 H new ATOM 129 N PRO A 10 -7.392 -5.388 0.235 1.00 1.28 N ATOM 130 CA PRO A 10 -7.321 -5.126 -1.196 1.00 1.45 C ATOM 131 C PRO A 10 -6.485 -3.880 -1.477 1.00 1.28 C ATOM 132 O PRO A 10 -6.342 -3.457 -2.622 1.00 1.62 O ATOM 133 CB PRO A 10 -8.781 -4.911 -1.592 1.00 1.78 C ATOM 134 CG PRO A 10 -9.435 -4.402 -0.352 1.00 2.09 C ATOM 135 CD PRO A 10 -8.708 -5.041 0.803 1.00 1.74 C ATOM 0 HA PRO A 10 -6.847 -5.932 -1.756 1.00 1.45 H new ATOM 0 HB2 PRO A 10 -8.869 -4.195 -2.409 1.00 1.78 H new ATOM 0 HB3 PRO A 10 -9.241 -5.839 -1.931 1.00 1.78 H new ATOM 0 HG2 PRO A 10 -9.372 -3.315 -0.297 1.00 2.09 H new ATOM 0 HG3 PRO A 10 -10.494 -4.661 -0.336 1.00 2.09 H new ATOM 0 HD2 PRO A 10 -8.613 -4.356 1.645 1.00 1.74 H new ATOM 0 HD3 PRO A 10 -9.233 -5.924 1.168 1.00 1.74 H new ATOM 143 N ILE A 11 -5.920 -3.325 -0.399 1.00 1.07 N ATOM 144 CA ILE A 11 -5.071 -2.138 -0.446 1.00 1.06 C ATOM 145 C ILE A 11 -5.658 -1.035 -1.340 1.00 1.20 C ATOM 146 O ILE A 11 -6.247 -1.309 -2.383 1.00 1.48 O ATOM 147 CB ILE A 11 -3.643 -2.524 -0.894 1.00 1.22 C ATOM 148 CG1 ILE A 11 -2.771 -2.830 0.333 1.00 1.28 C ATOM 149 CG2 ILE A 11 -3.005 -1.427 -1.738 1.00 1.71 C ATOM 150 CD1 ILE A 11 -3.273 -3.980 1.190 1.00 1.20 C ATOM 0 H ILE A 11 -6.044 -3.696 0.543 1.00 1.07 H new ATOM 0 HA ILE A 11 -5.023 -1.724 0.561 1.00 1.06 H new ATOM 0 HB ILE A 11 -3.715 -3.417 -1.514 1.00 1.22 H new ATOM 0 HG12 ILE A 11 -1.760 -3.058 -0.003 1.00 1.28 H new ATOM 0 HG13 ILE A 11 -2.707 -1.934 0.950 1.00 1.28 H new ATOM 0 HG21 ILE A 11 -2.002 -1.733 -2.035 1.00 1.71 H new ATOM 0 HG22 ILE A 11 -3.610 -1.254 -2.628 1.00 1.71 H new ATOM 0 HG23 ILE A 11 -2.946 -0.508 -1.155 1.00 1.71 H new ATOM 0 HD11 ILE A 11 -2.598 -4.127 2.033 1.00 1.20 H new ATOM 0 HD12 ILE A 11 -4.272 -3.749 1.560 1.00 1.20 H new ATOM 0 HD13 ILE A 11 -3.310 -4.891 0.592 1.00 1.20 H new ATOM 162 N SER A 12 -5.494 0.224 -0.922 1.00 1.20 N ATOM 163 CA SER A 12 -6.014 1.351 -1.690 1.00 1.43 C ATOM 164 C SER A 12 -4.943 2.429 -1.853 1.00 1.63 C ATOM 165 O SER A 12 -3.764 2.114 -1.990 1.00 2.44 O ATOM 166 CB SER A 12 -7.266 1.921 -1.015 1.00 1.77 C ATOM 167 OG SER A 12 -8.058 0.891 -0.449 1.00 2.15 O ATOM 0 H SER A 12 -5.009 0.483 -0.063 1.00 1.20 H new ATOM 0 HA SER A 12 -6.291 0.998 -2.683 1.00 1.43 H new ATOM 0 HB2 SER A 12 -6.974 2.627 -0.238 1.00 1.77 H new ATOM 0 HB3 SER A 12 -7.855 2.476 -1.745 1.00 1.77 H new ATOM 0 HG SER A 12 -8.824 1.286 0.018 1.00 2.15 H new ATOM 173 N ALA A 13 -5.354 3.698 -1.843 1.00 1.65 N ATOM 174 CA ALA A 13 -4.411 4.801 -1.999 1.00 2.14 C ATOM 175 C ALA A 13 -4.769 5.989 -1.114 1.00 1.82 C ATOM 176 O ALA A 13 -5.941 6.312 -0.924 1.00 2.37 O ATOM 177 CB ALA A 13 -4.343 5.233 -3.457 1.00 2.97 C ATOM 0 H ALA A 13 -6.326 3.984 -1.729 1.00 1.65 H new ATOM 0 HA ALA A 13 -3.432 4.441 -1.683 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -3.636 6.056 -3.560 1.00 2.97 H new ATOM 0 HB2 ALA A 13 -4.014 4.394 -4.070 1.00 2.97 H new ATOM 0 HB3 ALA A 13 -5.330 5.559 -3.786 1.00 2.97 H new ATOM 183 N VAL A 14 -3.737 6.641 -0.587 1.00 1.28 N ATOM 184 CA VAL A 14 -3.912 7.806 0.272 1.00 1.35 C ATOM 185 C VAL A 14 -2.774 8.798 0.059 1.00 1.06 C ATOM 186 O VAL A 14 -1.626 8.402 -0.140 1.00 1.09 O ATOM 187 CB VAL A 14 -3.963 7.413 1.760 1.00 2.08 C ATOM 188 CG1 VAL A 14 -5.301 6.776 2.102 1.00 2.82 C ATOM 189 CG2 VAL A 14 -2.814 6.481 2.107 1.00 2.60 C ATOM 0 H VAL A 14 -2.763 6.379 -0.742 1.00 1.28 H new ATOM 0 HA VAL A 14 -4.862 8.266 0.001 1.00 1.35 H new ATOM 0 HB VAL A 14 -3.858 8.318 2.358 1.00 2.08 H new ATOM 0 HG11 VAL A 14 -5.316 6.506 3.158 1.00 2.82 H new ATOM 0 HG12 VAL A 14 -6.104 7.484 1.897 1.00 2.82 H new ATOM 0 HG13 VAL A 14 -5.443 5.881 1.496 1.00 2.82 H new ATOM 0 HG21 VAL A 14 -2.868 6.215 3.163 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -2.883 5.578 1.501 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -1.867 6.981 1.907 1.00 2.60 H new ATOM 199 N THR A 15 -3.097 10.086 0.090 1.00 1.36 N ATOM 200 CA THR A 15 -2.097 11.132 -0.111 1.00 1.37 C ATOM 201 C THR A 15 -0.843 10.880 0.723 1.00 1.15 C ATOM 202 O THR A 15 -0.883 10.176 1.733 1.00 1.63 O ATOM 203 CB THR A 15 -2.690 12.505 0.226 1.00 1.93 C ATOM 204 OG1 THR A 15 -1.931 13.539 -0.373 1.00 2.45 O ATOM 205 CG2 THR A 15 -2.758 12.788 1.712 1.00 2.47 C ATOM 0 H THR A 15 -4.043 10.432 0.252 1.00 1.36 H new ATOM 0 HA THR A 15 -1.806 11.115 -1.161 1.00 1.37 H new ATOM 0 HB THR A 15 -3.707 12.480 -0.166 1.00 1.93 H new ATOM 0 HG1 THR A 15 -1.391 13.168 -1.102 1.00 2.45 H new ATOM 0 HG21 THR A 15 -3.188 13.776 1.875 1.00 2.47 H new ATOM 0 HG22 THR A 15 -3.381 12.037 2.197 1.00 2.47 H new ATOM 0 HG23 THR A 15 -1.754 12.755 2.135 1.00 2.47 H new ATOM 213 N CYS A 16 0.269 11.471 0.295 1.00 1.00 N ATOM 214 CA CYS A 16 1.539 11.326 1.000 1.00 0.91 C ATOM 215 C CYS A 16 1.748 12.509 1.948 1.00 1.05 C ATOM 216 O CYS A 16 1.425 13.645 1.606 1.00 1.59 O ATOM 217 CB CYS A 16 2.698 11.262 -0.002 1.00 1.11 C ATOM 218 SG CYS A 16 3.384 9.594 -0.269 1.00 1.82 S ATOM 0 H CYS A 16 0.316 12.056 -0.539 1.00 1.00 H new ATOM 0 HA CYS A 16 1.514 10.401 1.576 1.00 0.91 H new ATOM 0 HB2 CYS A 16 2.355 11.656 -0.959 1.00 1.11 H new ATOM 0 HB3 CYS A 16 3.497 11.917 0.345 1.00 1.11 H new ATOM 223 N PRO A 17 2.297 12.265 3.150 1.00 1.33 N ATOM 224 CA PRO A 17 2.546 13.330 4.127 1.00 1.72 C ATOM 225 C PRO A 17 3.408 14.446 3.544 1.00 1.75 C ATOM 226 O PRO A 17 4.060 14.264 2.516 1.00 2.05 O ATOM 227 CB PRO A 17 3.289 12.613 5.259 1.00 2.51 C ATOM 228 CG PRO A 17 2.908 11.180 5.118 1.00 2.77 C ATOM 229 CD PRO A 17 2.722 10.948 3.646 1.00 2.00 C ATOM 0 HA PRO A 17 1.625 13.814 4.451 1.00 1.72 H new ATOM 0 HB2 PRO A 17 4.367 12.746 5.171 1.00 2.51 H new ATOM 0 HB3 PRO A 17 2.998 13.005 6.233 1.00 2.51 H new ATOM 0 HG2 PRO A 17 3.683 10.528 5.522 1.00 2.77 H new ATOM 0 HG3 PRO A 17 1.991 10.963 5.667 1.00 2.77 H new ATOM 0 HD2 PRO A 17 3.645 10.617 3.171 1.00 2.00 H new ATOM 0 HD3 PRO A 17 1.971 10.182 3.451 1.00 2.00 H new ATOM 237 N PRO A 18 3.426 15.622 4.193 1.00 2.25 N ATOM 238 CA PRO A 18 4.215 16.768 3.728 1.00 2.90 C ATOM 239 C PRO A 18 5.716 16.501 3.786 1.00 2.81 C ATOM 240 O PRO A 18 6.478 17.011 2.964 1.00 3.40 O ATOM 241 CB PRO A 18 3.834 17.889 4.701 1.00 3.70 C ATOM 242 CG PRO A 18 3.332 17.190 5.916 1.00 3.66 C ATOM 243 CD PRO A 18 2.679 15.929 5.427 1.00 2.83 C ATOM 0 HA PRO A 18 4.007 17.005 2.685 1.00 2.90 H new ATOM 0 HB2 PRO A 18 4.693 18.518 4.934 1.00 3.70 H new ATOM 0 HB3 PRO A 18 3.069 18.539 4.275 1.00 3.70 H new ATOM 0 HG2 PRO A 18 4.148 16.966 6.603 1.00 3.66 H new ATOM 0 HG3 PRO A 18 2.621 17.813 6.459 1.00 3.66 H new ATOM 0 HD2 PRO A 18 2.759 15.124 6.158 1.00 2.83 H new ATOM 0 HD3 PRO A 18 1.617 16.075 5.229 1.00 2.83 H new ATOM 251 N GLY A 19 6.133 15.701 4.761 1.00 2.46 N ATOM 252 CA GLY A 19 7.542 15.383 4.905 1.00 2.58 C ATOM 253 C GLY A 19 7.952 14.175 4.087 1.00 1.98 C ATOM 254 O GLY A 19 9.019 14.167 3.474 1.00 2.27 O ATOM 0 H GLY A 19 5.522 15.268 5.453 1.00 2.46 H new ATOM 0 HA2 GLY A 19 8.138 16.243 4.600 1.00 2.58 H new ATOM 0 HA3 GLY A 19 7.764 15.198 5.956 1.00 2.58 H new ATOM 258 N GLU A 20 7.105 13.150 4.081 1.00 1.91 N ATOM 259 CA GLU A 20 7.386 11.930 3.335 1.00 1.74 C ATOM 260 C GLU A 20 7.270 12.166 1.831 1.00 1.36 C ATOM 261 O GLU A 20 6.462 12.980 1.382 1.00 2.07 O ATOM 262 CB GLU A 20 6.438 10.815 3.776 1.00 2.62 C ATOM 263 CG GLU A 20 6.740 10.277 5.165 1.00 3.53 C ATOM 264 CD GLU A 20 6.027 11.045 6.260 1.00 4.03 C ATOM 265 OE1 GLU A 20 6.194 12.279 6.327 1.00 4.12 O ATOM 266 OE2 GLU A 20 5.298 10.409 7.051 1.00 4.69 O ATOM 0 H GLU A 20 6.218 13.141 4.585 1.00 1.91 H new ATOM 0 HA GLU A 20 8.411 11.628 3.548 1.00 1.74 H new ATOM 0 HB2 GLU A 20 5.415 11.189 3.755 1.00 2.62 H new ATOM 0 HB3 GLU A 20 6.493 9.997 3.058 1.00 2.62 H new ATOM 0 HG2 GLU A 20 6.449 9.228 5.215 1.00 3.53 H new ATOM 0 HG3 GLU A 20 7.815 10.318 5.340 1.00 3.53 H new ATOM 273 N ASN A 21 8.086 11.455 1.055 1.00 1.08 N ATOM 274 CA ASN A 21 8.078 11.600 -0.396 1.00 1.79 C ATOM 275 C ASN A 21 8.089 10.247 -1.106 1.00 1.57 C ATOM 276 O ASN A 21 7.413 10.067 -2.119 1.00 2.07 O ATOM 277 CB ASN A 21 9.281 12.433 -0.847 1.00 2.76 C ATOM 278 CG ASN A 21 8.893 13.850 -1.217 1.00 3.80 C ATOM 279 OD1 ASN A 21 8.012 14.069 -2.049 1.00 4.47 O ATOM 280 ND2 ASN A 21 9.551 14.824 -0.600 1.00 4.30 N ATOM 0 H ASN A 21 8.759 10.775 1.408 1.00 1.08 H new ATOM 0 HA ASN A 21 7.154 12.110 -0.669 1.00 1.79 H new ATOM 0 HB2 ASN A 21 10.022 12.458 -0.048 1.00 2.76 H new ATOM 0 HB3 ASN A 21 9.752 11.952 -1.704 1.00 2.76 H new ATOM 0 HD21 ASN A 21 9.333 15.798 -0.809 1.00 4.30 H new ATOM 0 HD22 ASN A 21 10.274 14.598 0.083 1.00 4.30 H new ATOM 287 N LEU A 22 8.866 9.301 -0.585 1.00 1.06 N ATOM 288 CA LEU A 22 8.956 7.976 -1.197 1.00 0.90 C ATOM 289 C LEU A 22 7.844 7.059 -0.712 1.00 0.77 C ATOM 290 O LEU A 22 7.487 7.063 0.464 1.00 0.92 O ATOM 291 CB LEU A 22 10.309 7.324 -0.894 1.00 1.01 C ATOM 292 CG LEU A 22 11.508 7.836 -1.708 1.00 0.89 C ATOM 293 CD1 LEU A 22 11.933 6.810 -2.749 1.00 1.70 C ATOM 294 CD2 LEU A 22 11.196 9.166 -2.373 1.00 1.13 C ATOM 0 H LEU A 22 9.437 9.424 0.251 1.00 1.06 H new ATOM 0 HA LEU A 22 8.852 8.117 -2.273 1.00 0.90 H new ATOM 0 HB2 LEU A 22 10.528 7.466 0.164 1.00 1.01 H new ATOM 0 HB3 LEU A 22 10.216 6.251 -1.059 1.00 1.01 H new ATOM 0 HG LEU A 22 12.335 7.990 -1.015 1.00 0.89 H new ATOM 0 HD11 LEU A 22 12.783 7.194 -3.313 1.00 1.70 H new ATOM 0 HD12 LEU A 22 12.217 5.883 -2.251 1.00 1.70 H new ATOM 0 HD13 LEU A 22 11.104 6.617 -3.429 1.00 1.70 H new ATOM 0 HD21 LEU A 22 12.064 9.501 -2.941 1.00 1.13 H new ATOM 0 HD22 LEU A 22 10.346 9.046 -3.045 1.00 1.13 H new ATOM 0 HD23 LEU A 22 10.954 9.906 -1.610 1.00 1.13 H new ATOM 306 N CYS A 23 7.319 6.256 -1.626 1.00 0.69 N ATOM 307 CA CYS A 23 6.268 5.304 -1.299 1.00 0.71 C ATOM 308 C CYS A 23 6.869 3.911 -1.175 1.00 0.76 C ATOM 309 O CYS A 23 7.433 3.389 -2.136 1.00 0.99 O ATOM 310 CB CYS A 23 5.186 5.321 -2.375 1.00 0.84 C ATOM 311 SG CYS A 23 3.885 6.564 -2.096 1.00 1.02 S ATOM 0 H CYS A 23 7.606 6.245 -2.605 1.00 0.69 H new ATOM 0 HA CYS A 23 5.811 5.584 -0.350 1.00 0.71 H new ATOM 0 HB2 CYS A 23 5.652 5.509 -3.342 1.00 0.84 H new ATOM 0 HB3 CYS A 23 4.726 4.334 -2.429 1.00 0.84 H new ATOM 316 N TYR A 24 6.785 3.323 0.013 1.00 0.74 N ATOM 317 CA TYR A 24 7.364 2.012 0.236 1.00 0.84 C ATOM 318 C TYR A 24 6.319 0.965 0.593 1.00 0.86 C ATOM 319 O TYR A 24 5.130 1.256 0.725 1.00 1.23 O ATOM 320 CB TYR A 24 8.379 2.096 1.370 1.00 1.01 C ATOM 321 CG TYR A 24 7.753 2.460 2.701 1.00 1.03 C ATOM 322 CD1 TYR A 24 7.239 1.481 3.543 1.00 1.57 C ATOM 323 CD2 TYR A 24 7.675 3.783 3.112 1.00 1.62 C ATOM 324 CE1 TYR A 24 6.666 1.811 4.756 1.00 1.68 C ATOM 325 CE2 TYR A 24 7.104 4.121 4.326 1.00 1.74 C ATOM 326 CZ TYR A 24 6.602 3.132 5.144 1.00 1.34 C ATOM 327 OH TYR A 24 6.032 3.465 6.351 1.00 1.57 O ATOM 0 H TYR A 24 6.325 3.732 0.827 1.00 0.74 H new ATOM 0 HA TYR A 24 7.839 1.706 -0.696 1.00 0.84 H new ATOM 0 HB2 TYR A 24 8.889 1.137 1.465 1.00 1.01 H new ATOM 0 HB3 TYR A 24 9.137 2.837 1.117 1.00 1.01 H new ATOM 0 HD1 TYR A 24 7.288 0.444 3.244 1.00 1.57 H new ATOM 0 HD2 TYR A 24 8.066 4.561 2.474 1.00 1.62 H new ATOM 0 HE1 TYR A 24 6.270 1.037 5.397 1.00 1.68 H new ATOM 0 HE2 TYR A 24 7.052 5.156 4.631 1.00 1.74 H new ATOM 0 HH TYR A 24 6.068 4.437 6.473 1.00 1.57 H new ATOM 337 N ARG A 25 6.804 -0.256 0.773 1.00 0.81 N ATOM 338 CA ARG A 25 5.970 -1.387 1.151 1.00 0.85 C ATOM 339 C ARG A 25 6.747 -2.259 2.128 1.00 0.85 C ATOM 340 O ARG A 25 7.590 -3.059 1.721 1.00 1.02 O ATOM 341 CB ARG A 25 5.564 -2.197 -0.083 1.00 0.99 C ATOM 342 CG ARG A 25 6.686 -2.376 -1.094 1.00 1.29 C ATOM 343 CD ARG A 25 6.169 -2.950 -2.404 1.00 1.64 C ATOM 344 NE ARG A 25 6.388 -2.039 -3.525 1.00 1.83 N ATOM 345 CZ ARG A 25 7.554 -1.904 -4.155 1.00 2.23 C ATOM 346 NH1 ARG A 25 8.603 -2.623 -3.783 1.00 2.63 N ATOM 347 NH2 ARG A 25 7.667 -1.047 -5.161 1.00 2.91 N ATOM 0 H ARG A 25 7.790 -0.490 0.660 1.00 0.81 H new ATOM 0 HA ARG A 25 5.057 -1.025 1.624 1.00 0.85 H new ATOM 0 HB2 ARG A 25 5.215 -3.179 0.237 1.00 0.99 H new ATOM 0 HB3 ARG A 25 4.723 -1.703 -0.570 1.00 0.99 H new ATOM 0 HG2 ARG A 25 7.166 -1.415 -1.281 1.00 1.29 H new ATOM 0 HG3 ARG A 25 7.447 -3.038 -0.681 1.00 1.29 H new ATOM 0 HD2 ARG A 25 6.666 -3.899 -2.605 1.00 1.64 H new ATOM 0 HD3 ARG A 25 5.104 -3.162 -2.312 1.00 1.64 H new ATOM 0 HE ARG A 25 5.602 -1.473 -3.844 1.00 1.83 H new ATOM 0 HH11 ARG A 25 8.520 -3.284 -3.011 1.00 2.63 H new ATOM 0 HH12 ARG A 25 9.493 -2.515 -4.269 1.00 2.63 H new ATOM 0 HH21 ARG A 25 6.862 -0.492 -5.451 1.00 2.91 H new ATOM 0 HH22 ARG A 25 8.559 -0.943 -5.644 1.00 2.91 H new ATOM 361 N LYS A 26 6.487 -2.079 3.419 1.00 0.83 N ATOM 362 CA LYS A 26 7.198 -2.839 4.441 1.00 0.89 C ATOM 363 C LYS A 26 6.765 -4.298 4.430 1.00 0.86 C ATOM 364 O LYS A 26 5.571 -4.590 4.464 1.00 1.06 O ATOM 365 CB LYS A 26 6.975 -2.208 5.821 1.00 1.09 C ATOM 366 CG LYS A 26 5.669 -2.612 6.490 1.00 1.23 C ATOM 367 CD LYS A 26 5.851 -3.823 7.396 1.00 1.40 C ATOM 368 CE LYS A 26 6.936 -3.587 8.438 1.00 1.63 C ATOM 369 NZ LYS A 26 8.218 -4.248 8.063 1.00 2.19 N ATOM 0 H LYS A 26 5.797 -1.421 3.780 1.00 0.83 H new ATOM 0 HA LYS A 26 8.264 -2.809 4.218 1.00 0.89 H new ATOM 0 HB2 LYS A 26 7.804 -2.484 6.472 1.00 1.09 H new ATOM 0 HB3 LYS A 26 6.997 -1.123 5.720 1.00 1.09 H new ATOM 0 HG2 LYS A 26 5.285 -1.775 7.074 1.00 1.23 H new ATOM 0 HG3 LYS A 26 4.924 -2.837 5.727 1.00 1.23 H new ATOM 0 HD2 LYS A 26 4.909 -4.049 7.896 1.00 1.40 H new ATOM 0 HD3 LYS A 26 6.108 -4.694 6.793 1.00 1.40 H new ATOM 0 HE2 LYS A 26 7.100 -2.516 8.555 1.00 1.63 H new ATOM 0 HE3 LYS A 26 6.601 -3.966 9.404 1.00 1.63 H new ATOM 0 HZ1 LYS A 26 8.621 -4.722 8.896 1.00 2.19 H new ATOM 0 HZ2 LYS A 26 8.041 -4.950 7.317 1.00 2.19 H new ATOM 0 HZ3 LYS A 26 8.888 -3.533 7.714 1.00 2.19 H new ATOM 383 N MET A 27 7.729 -5.217 4.373 1.00 0.79 N ATOM 384 CA MET A 27 7.386 -6.640 4.347 1.00 0.85 C ATOM 385 C MET A 27 8.458 -7.489 5.014 1.00 0.79 C ATOM 386 O MET A 27 9.562 -7.013 5.275 1.00 0.84 O ATOM 387 CB MET A 27 7.167 -7.120 2.904 1.00 1.03 C ATOM 388 CG MET A 27 7.231 -6.015 1.859 1.00 1.28 C ATOM 389 SD MET A 27 7.431 -6.656 0.185 1.00 1.66 S ATOM 390 CE MET A 27 6.015 -5.924 -0.632 1.00 2.08 C ATOM 0 H MET A 27 8.728 -5.011 4.345 1.00 0.79 H new ATOM 0 HA MET A 27 6.460 -6.758 4.909 1.00 0.85 H new ATOM 0 HB2 MET A 27 7.919 -7.873 2.666 1.00 1.03 H new ATOM 0 HB3 MET A 27 6.195 -7.609 2.840 1.00 1.03 H new ATOM 0 HG2 MET A 27 6.320 -5.419 1.910 1.00 1.28 H new ATOM 0 HG3 MET A 27 8.062 -5.348 2.091 1.00 1.28 H new ATOM 0 HE1 MET A 27 6.282 -5.660 -1.655 1.00 2.08 H new ATOM 0 HE2 MET A 27 5.192 -6.639 -0.645 1.00 2.08 H new ATOM 0 HE3 MET A 27 5.708 -5.027 -0.094 1.00 2.08 H new ATOM 400 N TRP A 28 8.137 -8.759 5.275 1.00 0.77 N ATOM 401 CA TRP A 28 9.110 -9.650 5.895 1.00 0.81 C ATOM 402 C TRP A 28 8.829 -11.114 5.580 1.00 0.98 C ATOM 403 O TRP A 28 8.702 -11.954 6.468 1.00 1.57 O ATOM 404 CB TRP A 28 9.216 -9.398 7.403 1.00 1.07 C ATOM 405 CG TRP A 28 7.982 -9.684 8.214 1.00 0.86 C ATOM 406 CD1 TRP A 28 7.558 -10.895 8.669 1.00 0.88 C ATOM 407 CD2 TRP A 28 7.034 -8.728 8.701 1.00 0.85 C ATOM 408 NE1 TRP A 28 6.422 -10.750 9.419 1.00 0.89 N ATOM 409 CE2 TRP A 28 6.077 -9.432 9.448 1.00 0.89 C ATOM 410 CE3 TRP A 28 6.903 -7.350 8.577 1.00 1.00 C ATOM 411 CZ2 TRP A 28 5.008 -8.803 10.073 1.00 1.07 C ATOM 412 CZ3 TRP A 28 5.836 -6.720 9.197 1.00 1.15 C ATOM 413 CH2 TRP A 28 4.902 -7.449 9.938 1.00 1.19 C ATOM 0 H TRP A 28 7.232 -9.182 5.071 1.00 0.77 H new ATOM 0 HA TRP A 28 10.082 -9.420 5.458 1.00 0.81 H new ATOM 0 HB2 TRP A 28 10.032 -10.006 7.795 1.00 1.07 H new ATOM 0 HB3 TRP A 28 9.493 -8.355 7.557 1.00 1.07 H new ATOM 0 HD1 TRP A 28 8.048 -11.836 8.467 1.00 0.88 H new ATOM 0 HE1 TRP A 28 5.916 -11.506 9.881 1.00 0.89 H new ATOM 0 HE3 TRP A 28 7.621 -6.780 8.007 1.00 1.00 H new ATOM 0 HZ2 TRP A 28 4.286 -9.366 10.646 1.00 1.07 H new ATOM 0 HZ3 TRP A 28 5.724 -5.650 9.106 1.00 1.15 H new ATOM 0 HH2 TRP A 28 4.081 -6.932 10.412 1.00 1.19 H new ATOM 424 N CYS A 29 8.768 -11.399 4.288 1.00 1.10 N ATOM 425 CA CYS A 29 8.538 -12.751 3.789 1.00 1.39 C ATOM 426 C CYS A 29 8.718 -12.787 2.277 1.00 1.62 C ATOM 427 O CYS A 29 9.298 -13.729 1.738 1.00 2.20 O ATOM 428 CB CYS A 29 7.141 -13.249 4.155 1.00 1.50 C ATOM 429 SG CYS A 29 6.763 -14.912 3.497 1.00 1.87 S ATOM 0 H CYS A 29 8.876 -10.700 3.553 1.00 1.10 H new ATOM 0 HA CYS A 29 9.268 -13.410 4.259 1.00 1.39 H new ATOM 0 HB2 CYS A 29 7.043 -13.266 5.240 1.00 1.50 H new ATOM 0 HB3 CYS A 29 6.402 -12.542 3.779 1.00 1.50 H new ATOM 434 N ASP A 30 8.214 -11.745 1.609 1.00 1.38 N ATOM 435 CA ASP A 30 8.295 -11.606 0.150 1.00 1.74 C ATOM 436 C ASP A 30 9.138 -12.704 -0.499 1.00 1.96 C ATOM 437 O ASP A 30 10.319 -12.507 -0.791 1.00 2.52 O ATOM 438 CB ASP A 30 8.867 -10.235 -0.203 1.00 2.08 C ATOM 439 CG ASP A 30 8.307 -9.686 -1.501 1.00 2.33 C ATOM 440 OD1 ASP A 30 7.616 -10.442 -2.217 1.00 2.75 O ATOM 441 OD2 ASP A 30 8.559 -8.501 -1.802 1.00 2.64 O ATOM 0 H ASP A 30 7.735 -10.969 2.067 1.00 1.38 H new ATOM 0 HA ASP A 30 7.283 -11.705 -0.243 1.00 1.74 H new ATOM 0 HB2 ASP A 30 8.652 -9.536 0.606 1.00 2.08 H new ATOM 0 HB3 ASP A 30 9.952 -10.307 -0.281 1.00 2.08 H new ATOM 446 N ALA A 31 8.520 -13.859 -0.719 1.00 2.10 N ATOM 447 CA ALA A 31 9.202 -14.992 -1.331 1.00 2.46 C ATOM 448 C ALA A 31 8.220 -16.113 -1.651 1.00 2.26 C ATOM 449 O ALA A 31 8.026 -16.469 -2.814 1.00 2.66 O ATOM 450 CB ALA A 31 10.304 -15.501 -0.414 1.00 2.98 C ATOM 0 H ALA A 31 7.544 -14.035 -0.481 1.00 2.10 H new ATOM 0 HA ALA A 31 9.649 -14.655 -2.267 1.00 2.46 H new ATOM 0 HB1 ALA A 31 10.806 -16.347 -0.883 1.00 2.98 H new ATOM 0 HB2 ALA A 31 11.026 -14.704 -0.236 1.00 2.98 H new ATOM 0 HB3 ALA A 31 9.871 -15.816 0.535 1.00 2.98 H new ATOM 456 N PHE A 32 7.601 -16.664 -0.611 1.00 2.11 N ATOM 457 CA PHE A 32 6.638 -17.745 -0.781 1.00 2.17 C ATOM 458 C PHE A 32 6.057 -18.176 0.563 1.00 1.75 C ATOM 459 O PHE A 32 6.208 -19.326 0.975 1.00 2.16 O ATOM 460 CB PHE A 32 7.294 -18.942 -1.478 1.00 2.77 C ATOM 461 CG PHE A 32 8.724 -19.170 -1.075 1.00 3.17 C ATOM 462 CD1 PHE A 32 9.029 -19.876 0.078 1.00 3.67 C ATOM 463 CD2 PHE A 32 9.762 -18.680 -1.851 1.00 3.74 C ATOM 464 CE1 PHE A 32 10.343 -20.089 0.450 1.00 4.50 C ATOM 465 CE2 PHE A 32 11.079 -18.890 -1.483 1.00 4.54 C ATOM 466 CZ PHE A 32 11.370 -19.594 -0.332 1.00 4.85 C ATOM 0 H PHE A 32 7.749 -16.379 0.357 1.00 2.11 H new ATOM 0 HA PHE A 32 5.824 -17.375 -1.405 1.00 2.17 H new ATOM 0 HB2 PHE A 32 6.717 -19.840 -1.258 1.00 2.77 H new ATOM 0 HB3 PHE A 32 7.250 -18.791 -2.557 1.00 2.77 H new ATOM 0 HD1 PHE A 32 8.231 -20.264 0.693 1.00 3.67 H new ATOM 0 HD2 PHE A 32 9.541 -18.128 -2.753 1.00 3.74 H new ATOM 0 HE1 PHE A 32 10.567 -20.641 1.351 1.00 4.50 H new ATOM 0 HE2 PHE A 32 11.879 -18.503 -2.096 1.00 4.54 H new ATOM 0 HZ PHE A 32 12.398 -19.758 -0.043 1.00 4.85 H new ATOM 476 N CYS A 33 5.385 -17.250 1.241 1.00 1.44 N ATOM 477 CA CYS A 33 4.775 -17.539 2.536 1.00 1.44 C ATOM 478 C CYS A 33 3.781 -18.693 2.410 1.00 1.67 C ATOM 479 O CYS A 33 3.749 -19.382 1.391 1.00 2.41 O ATOM 480 CB CYS A 33 4.084 -16.290 3.086 1.00 1.66 C ATOM 481 SG CYS A 33 5.020 -15.432 4.395 1.00 1.93 S ATOM 0 H CYS A 33 5.249 -16.293 0.916 1.00 1.44 H new ATOM 0 HA CYS A 33 5.558 -17.836 3.234 1.00 1.44 H new ATOM 0 HB2 CYS A 33 3.909 -15.595 2.265 1.00 1.66 H new ATOM 0 HB3 CYS A 33 3.107 -16.572 3.479 1.00 1.66 H new ATOM 486 N SER A 34 2.978 -18.913 3.450 1.00 1.74 N ATOM 487 CA SER A 34 2.004 -20.001 3.430 1.00 2.21 C ATOM 488 C SER A 34 0.632 -19.549 3.933 1.00 2.07 C ATOM 489 O SER A 34 0.083 -20.133 4.868 1.00 2.39 O ATOM 490 CB SER A 34 2.508 -21.172 4.275 1.00 2.92 C ATOM 491 OG SER A 34 3.921 -21.267 4.223 1.00 3.47 O ATOM 0 H SER A 34 2.982 -18.359 4.307 1.00 1.74 H new ATOM 0 HA SER A 34 1.889 -20.319 2.394 1.00 2.21 H new ATOM 0 HB2 SER A 34 2.187 -21.044 5.309 1.00 2.92 H new ATOM 0 HB3 SER A 34 2.064 -22.101 3.916 1.00 2.92 H new ATOM 0 HG SER A 34 4.219 -22.022 4.772 1.00 3.47 H new ATOM 497 N SER A 35 0.076 -18.516 3.302 1.00 2.23 N ATOM 498 CA SER A 35 -1.235 -18.004 3.684 1.00 2.38 C ATOM 499 C SER A 35 -1.646 -16.841 2.772 1.00 2.12 C ATOM 500 O SER A 35 -1.479 -16.914 1.554 1.00 2.53 O ATOM 501 CB SER A 35 -1.227 -17.573 5.155 1.00 2.81 C ATOM 502 OG SER A 35 -2.518 -17.166 5.570 1.00 3.24 O ATOM 0 H SER A 35 0.513 -18.019 2.526 1.00 2.23 H new ATOM 0 HA SER A 35 -1.970 -18.800 3.565 1.00 2.38 H new ATOM 0 HB2 SER A 35 -0.884 -18.399 5.778 1.00 2.81 H new ATOM 0 HB3 SER A 35 -0.521 -16.754 5.294 1.00 2.81 H new ATOM 0 HG SER A 35 -2.725 -17.571 6.438 1.00 3.24 H new ATOM 508 N ARG A 36 -2.184 -15.771 3.359 1.00 2.05 N ATOM 509 CA ARG A 36 -2.615 -14.601 2.593 1.00 2.00 C ATOM 510 C ARG A 36 -1.508 -14.135 1.654 1.00 2.04 C ATOM 511 O ARG A 36 -1.739 -13.906 0.466 1.00 2.72 O ATOM 512 CB ARG A 36 -3.014 -13.463 3.544 1.00 2.08 C ATOM 513 CG ARG A 36 -3.349 -12.151 2.840 1.00 1.74 C ATOM 514 CD ARG A 36 -4.295 -12.368 1.668 1.00 2.68 C ATOM 515 NE ARG A 36 -5.459 -13.168 2.044 1.00 3.20 N ATOM 516 CZ ARG A 36 -6.205 -13.848 1.176 1.00 3.94 C ATOM 517 NH1 ARG A 36 -5.918 -13.823 -0.120 1.00 4.27 N ATOM 518 NH2 ARG A 36 -7.243 -14.553 1.604 1.00 4.76 N ATOM 0 H ARG A 36 -2.332 -15.691 4.365 1.00 2.05 H new ATOM 0 HA ARG A 36 -3.481 -14.882 1.994 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -3.877 -13.779 4.130 1.00 2.08 H new ATOM 0 HB3 ARG A 36 -2.199 -13.288 4.246 1.00 2.08 H new ATOM 0 HG2 ARG A 36 -3.803 -11.462 3.552 1.00 1.74 H new ATOM 0 HG3 ARG A 36 -2.431 -11.683 2.485 1.00 1.74 H new ATOM 0 HD2 ARG A 36 -4.627 -11.402 1.287 1.00 2.68 H new ATOM 0 HD3 ARG A 36 -3.761 -12.864 0.858 1.00 2.68 H new ATOM 0 HE ARG A 36 -5.715 -13.208 3.031 1.00 3.20 H new ATOM 0 HH11 ARG A 36 -5.122 -13.281 -0.456 1.00 4.27 H new ATOM 0 HH12 ARG A 36 -6.493 -14.346 -0.780 1.00 4.27 H new ATOM 0 HH21 ARG A 36 -7.470 -14.574 2.598 1.00 4.76 H new ATOM 0 HH22 ARG A 36 -7.815 -15.074 0.939 1.00 4.76 H new ATOM 532 N GLY A 37 -0.306 -14.004 2.197 1.00 1.75 N ATOM 533 CA GLY A 37 0.826 -13.572 1.405 1.00 2.21 C ATOM 534 C GLY A 37 2.097 -13.500 2.224 1.00 1.79 C ATOM 535 O GLY A 37 2.295 -14.294 3.141 1.00 2.20 O ATOM 0 H GLY A 37 -0.095 -14.190 3.177 1.00 1.75 H new ATOM 0 HA2 GLY A 37 0.970 -14.261 0.572 1.00 2.21 H new ATOM 0 HA3 GLY A 37 0.615 -12.592 0.976 1.00 2.21 H new ATOM 539 N LYS A 38 2.953 -12.541 1.902 1.00 1.40 N ATOM 540 CA LYS A 38 4.211 -12.369 2.631 1.00 1.39 C ATOM 541 C LYS A 38 3.975 -11.717 3.974 1.00 1.23 C ATOM 542 O LYS A 38 4.128 -12.328 5.026 1.00 1.86 O ATOM 543 CB LYS A 38 5.227 -11.527 1.839 1.00 1.66 C ATOM 544 CG LYS A 38 4.619 -10.422 0.982 1.00 2.44 C ATOM 545 CD LYS A 38 5.117 -10.489 -0.451 1.00 3.26 C ATOM 546 CE LYS A 38 4.035 -10.083 -1.441 1.00 4.06 C ATOM 547 NZ LYS A 38 3.702 -11.188 -2.383 1.00 4.85 N ATOM 0 H LYS A 38 2.805 -11.872 1.147 1.00 1.40 H new ATOM 0 HA LYS A 38 4.623 -13.368 2.775 1.00 1.39 H new ATOM 0 HB2 LYS A 38 5.929 -11.077 2.541 1.00 1.66 H new ATOM 0 HB3 LYS A 38 5.803 -12.191 1.194 1.00 1.66 H new ATOM 0 HG2 LYS A 38 3.532 -10.507 0.995 1.00 2.44 H new ATOM 0 HG3 LYS A 38 4.868 -9.451 1.409 1.00 2.44 H new ATOM 0 HD2 LYS A 38 5.981 -9.835 -0.567 1.00 3.26 H new ATOM 0 HD3 LYS A 38 5.452 -11.502 -0.673 1.00 3.26 H new ATOM 0 HE2 LYS A 38 3.138 -9.787 -0.897 1.00 4.06 H new ATOM 0 HE3 LYS A 38 4.368 -9.212 -2.006 1.00 4.06 H new ATOM 0 HZ1 LYS A 38 2.961 -10.872 -3.041 1.00 4.85 H new ATOM 0 HZ2 LYS A 38 4.552 -11.454 -2.920 1.00 4.85 H new ATOM 0 HZ3 LYS A 38 3.360 -12.011 -1.846 1.00 4.85 H new ATOM 561 N VAL A 39 3.624 -10.461 3.886 1.00 0.90 N ATOM 562 CA VAL A 39 3.353 -9.587 5.023 1.00 0.75 C ATOM 563 C VAL A 39 3.663 -8.170 4.602 1.00 0.80 C ATOM 564 O VAL A 39 4.826 -7.790 4.499 1.00 1.62 O ATOM 565 CB VAL A 39 4.161 -9.940 6.299 1.00 0.73 C ATOM 566 CG1 VAL A 39 5.570 -10.374 5.988 1.00 0.77 C ATOM 567 CG2 VAL A 39 4.149 -8.783 7.278 1.00 0.82 C ATOM 0 H VAL A 39 3.511 -9.989 2.989 1.00 0.90 H new ATOM 0 HA VAL A 39 2.305 -9.715 5.293 1.00 0.75 H new ATOM 0 HB VAL A 39 3.668 -10.793 6.764 1.00 0.73 H new ATOM 0 HG11 VAL A 39 6.091 -10.609 6.916 1.00 0.77 H new ATOM 0 HG12 VAL A 39 5.546 -11.258 5.351 1.00 0.77 H new ATOM 0 HG13 VAL A 39 6.093 -9.569 5.472 1.00 0.77 H new ATOM 0 HG21 VAL A 39 4.721 -9.052 8.166 1.00 0.82 H new ATOM 0 HG22 VAL A 39 4.596 -7.906 6.810 1.00 0.82 H new ATOM 0 HG23 VAL A 39 3.121 -8.558 7.563 1.00 0.82 H new ATOM 577 N VAL A 40 2.628 -7.396 4.319 1.00 1.00 N ATOM 578 CA VAL A 40 2.833 -6.036 3.866 1.00 0.94 C ATOM 579 C VAL A 40 2.096 -5.000 4.698 1.00 0.99 C ATOM 580 O VAL A 40 1.135 -5.292 5.410 1.00 1.40 O ATOM 581 CB VAL A 40 2.420 -5.868 2.396 1.00 1.03 C ATOM 582 CG1 VAL A 40 3.493 -6.433 1.481 1.00 1.25 C ATOM 583 CG2 VAL A 40 1.076 -6.538 2.140 1.00 1.31 C ATOM 0 H VAL A 40 1.652 -7.683 4.394 1.00 1.00 H new ATOM 0 HA VAL A 40 3.902 -5.859 3.981 1.00 0.94 H new ATOM 0 HB VAL A 40 2.313 -4.805 2.181 1.00 1.03 H new ATOM 0 HG11 VAL A 40 3.188 -6.308 0.442 1.00 1.25 H new ATOM 0 HG12 VAL A 40 4.431 -5.904 1.650 1.00 1.25 H new ATOM 0 HG13 VAL A 40 3.631 -7.493 1.693 1.00 1.25 H new ATOM 0 HG21 VAL A 40 0.799 -6.409 1.094 1.00 1.31 H new ATOM 0 HG22 VAL A 40 1.150 -7.601 2.367 1.00 1.31 H new ATOM 0 HG23 VAL A 40 0.316 -6.083 2.775 1.00 1.31 H new ATOM 593 N GLU A 41 2.588 -3.784 4.570 1.00 1.12 N ATOM 594 CA GLU A 41 2.066 -2.615 5.249 1.00 1.31 C ATOM 595 C GLU A 41 2.627 -1.379 4.562 1.00 1.09 C ATOM 596 O GLU A 41 3.682 -0.858 4.936 1.00 1.20 O ATOM 597 CB GLU A 41 2.453 -2.621 6.723 1.00 1.75 C ATOM 598 CG GLU A 41 1.352 -3.121 7.644 1.00 2.24 C ATOM 599 CD GLU A 41 0.323 -2.052 7.955 1.00 2.85 C ATOM 600 OE1 GLU A 41 -0.535 -1.784 7.088 1.00 3.33 O ATOM 601 OE2 GLU A 41 0.375 -1.482 9.065 1.00 3.41 O ATOM 0 H GLU A 41 3.387 -3.576 3.972 1.00 1.12 H new ATOM 0 HA GLU A 41 0.977 -2.617 5.197 1.00 1.31 H new ATOM 0 HB2 GLU A 41 3.336 -3.246 6.855 1.00 1.75 H new ATOM 0 HB3 GLU A 41 2.731 -1.610 7.020 1.00 1.75 H new ATOM 0 HG2 GLU A 41 0.856 -3.974 7.181 1.00 2.24 H new ATOM 0 HG3 GLU A 41 1.795 -3.476 8.575 1.00 2.24 H new ATOM 608 N LEU A 42 1.934 -0.954 3.522 1.00 1.16 N ATOM 609 CA LEU A 42 2.346 0.193 2.724 1.00 1.39 C ATOM 610 C LEU A 42 2.286 1.488 3.532 1.00 1.07 C ATOM 611 O LEU A 42 1.754 1.517 4.641 1.00 1.33 O ATOM 612 CB LEU A 42 1.473 0.296 1.473 1.00 2.10 C ATOM 613 CG LEU A 42 1.140 -1.049 0.817 1.00 2.81 C ATOM 614 CD1 LEU A 42 -0.251 -1.509 1.216 1.00 3.51 C ATOM 615 CD2 LEU A 42 1.253 -0.955 -0.695 1.00 3.51 C ATOM 0 H LEU A 42 1.069 -1.392 3.204 1.00 1.16 H new ATOM 0 HA LEU A 42 3.383 0.045 2.424 1.00 1.39 H new ATOM 0 HB2 LEU A 42 0.542 0.798 1.736 1.00 2.10 H new ATOM 0 HB3 LEU A 42 1.980 0.926 0.743 1.00 2.10 H new ATOM 0 HG LEU A 42 1.862 -1.785 1.169 1.00 2.81 H new ATOM 0 HD11 LEU A 42 -0.468 -2.465 0.740 1.00 3.51 H new ATOM 0 HD12 LEU A 42 -0.300 -1.623 2.299 1.00 3.51 H new ATOM 0 HD13 LEU A 42 -0.985 -0.769 0.896 1.00 3.51 H new ATOM 0 HD21 LEU A 42 1.012 -1.921 -1.139 1.00 3.51 H new ATOM 0 HD22 LEU A 42 0.558 -0.202 -1.066 1.00 3.51 H new ATOM 0 HD23 LEU A 42 2.270 -0.674 -0.967 1.00 3.51 H new ATOM 627 N GLY A 43 2.853 2.553 2.969 1.00 0.94 N ATOM 628 CA GLY A 43 2.879 3.832 3.639 1.00 1.07 C ATOM 629 C GLY A 43 3.979 4.718 3.092 1.00 0.96 C ATOM 630 O GLY A 43 5.011 4.225 2.635 1.00 1.16 O ATOM 0 H GLY A 43 3.298 2.546 2.051 1.00 0.94 H new ATOM 0 HA2 GLY A 43 1.916 4.328 3.518 1.00 1.07 H new ATOM 0 HA3 GLY A 43 3.028 3.682 4.708 1.00 1.07 H new ATOM 634 N CYS A 44 3.752 6.017 3.120 1.00 0.84 N ATOM 635 CA CYS A 44 4.724 6.982 2.608 1.00 0.76 C ATOM 636 C CYS A 44 5.926 7.123 3.549 1.00 0.86 C ATOM 637 O CYS A 44 5.786 7.015 4.767 1.00 1.07 O ATOM 638 CB CYS A 44 4.040 8.334 2.411 1.00 0.81 C ATOM 639 SG CYS A 44 4.818 9.402 1.154 1.00 1.35 S ATOM 0 H CYS A 44 2.900 6.437 3.493 1.00 0.84 H new ATOM 0 HA CYS A 44 5.100 6.619 1.651 1.00 0.76 H new ATOM 0 HB2 CYS A 44 3.001 8.163 2.131 1.00 0.81 H new ATOM 0 HB3 CYS A 44 4.030 8.864 3.364 1.00 0.81 H new ATOM 644 N ALA A 45 7.108 7.359 2.971 1.00 0.87 N ATOM 645 CA ALA A 45 8.333 7.509 3.758 1.00 1.04 C ATOM 646 C ALA A 45 8.996 8.865 3.526 1.00 1.05 C ATOM 647 O ALA A 45 8.605 9.616 2.636 1.00 1.16 O ATOM 648 CB ALA A 45 9.315 6.395 3.432 1.00 1.21 C ATOM 0 H ALA A 45 7.241 7.450 1.964 1.00 0.87 H new ATOM 0 HA ALA A 45 8.050 7.448 4.809 1.00 1.04 H new ATOM 0 HB1 ALA A 45 10.220 6.522 4.026 1.00 1.21 H new ATOM 0 HB2 ALA A 45 8.862 5.431 3.663 1.00 1.21 H new ATOM 0 HB3 ALA A 45 9.568 6.432 2.373 1.00 1.21 H new ATOM 654 N ALA A 46 10.012 9.157 4.336 1.00 1.25 N ATOM 655 CA ALA A 46 10.754 10.412 4.247 1.00 1.34 C ATOM 656 C ALA A 46 11.926 10.304 3.286 1.00 1.36 C ATOM 657 O ALA A 46 13.033 10.756 3.577 1.00 1.78 O ATOM 658 CB ALA A 46 11.247 10.816 5.615 1.00 1.57 C ATOM 0 H ALA A 46 10.343 8.532 5.071 1.00 1.25 H new ATOM 0 HA ALA A 46 10.076 11.174 3.862 1.00 1.34 H new ATOM 0 HB1 ALA A 46 11.799 11.753 5.541 1.00 1.57 H new ATOM 0 HB2 ALA A 46 10.397 10.948 6.284 1.00 1.57 H new ATOM 0 HB3 ALA A 46 11.902 10.039 6.010 1.00 1.57 H new ATOM 664 N THR A 47 11.658 9.692 2.150 1.00 1.21 N ATOM 665 CA THR A 47 12.654 9.487 1.093 1.00 1.35 C ATOM 666 C THR A 47 13.356 8.146 1.278 1.00 1.45 C ATOM 667 O THR A 47 13.105 7.438 2.252 1.00 2.27 O ATOM 668 CB THR A 47 13.683 10.624 1.061 1.00 1.55 C ATOM 669 OG1 THR A 47 13.071 11.862 1.373 1.00 2.06 O ATOM 670 CG2 THR A 47 14.365 10.781 -0.280 1.00 2.18 C ATOM 0 H THR A 47 10.737 9.316 1.923 1.00 1.21 H new ATOM 0 HA THR A 47 12.128 9.485 0.138 1.00 1.35 H new ATOM 0 HB THR A 47 14.433 10.351 1.803 1.00 1.55 H new ATOM 0 HG1 THR A 47 13.154 12.035 2.334 1.00 2.06 H new ATOM 0 HG21 THR A 47 15.079 11.603 -0.231 1.00 2.18 H new ATOM 0 HG22 THR A 47 14.889 9.859 -0.532 1.00 2.18 H new ATOM 0 HG23 THR A 47 13.619 10.995 -1.045 1.00 2.18 H new ATOM 678 N CYS A 48 14.225 7.793 0.334 1.00 1.30 N ATOM 679 CA CYS A 48 14.939 6.527 0.402 1.00 1.60 C ATOM 680 C CYS A 48 16.037 6.443 -0.656 1.00 1.50 C ATOM 681 O CYS A 48 15.771 6.112 -1.810 1.00 1.89 O ATOM 682 CB CYS A 48 13.965 5.372 0.199 1.00 2.23 C ATOM 683 SG CYS A 48 13.372 4.606 1.741 1.00 2.27 S ATOM 0 H CYS A 48 14.449 8.364 -0.481 1.00 1.30 H new ATOM 0 HA CYS A 48 15.402 6.462 1.387 1.00 1.60 H new ATOM 0 HB2 CYS A 48 13.106 5.733 -0.367 1.00 2.23 H new ATOM 0 HB3 CYS A 48 14.449 4.608 -0.409 1.00 2.23 H new ATOM 688 N PRO A 49 17.296 6.723 -0.276 1.00 1.67 N ATOM 689 CA PRO A 49 18.431 6.653 -1.204 1.00 2.01 C ATOM 690 C PRO A 49 18.662 5.243 -1.740 1.00 1.97 C ATOM 691 O PRO A 49 19.514 5.020 -2.601 1.00 2.38 O ATOM 692 CB PRO A 49 19.623 7.108 -0.356 1.00 2.64 C ATOM 693 CG PRO A 49 19.198 6.875 1.055 1.00 2.84 C ATOM 694 CD PRO A 49 17.715 7.116 1.077 1.00 2.20 C ATOM 0 HA PRO A 49 18.265 7.267 -2.089 1.00 2.01 H new ATOM 0 HB2 PRO A 49 20.521 6.539 -0.598 1.00 2.64 H new ATOM 0 HB3 PRO A 49 19.855 8.159 -0.531 1.00 2.64 H new ATOM 0 HG2 PRO A 49 19.435 5.860 1.373 1.00 2.84 H new ATOM 0 HG3 PRO A 49 19.715 7.551 1.736 1.00 2.84 H new ATOM 0 HD2 PRO A 49 17.220 6.518 1.842 1.00 2.20 H new ATOM 0 HD3 PRO A 49 17.479 8.159 1.286 1.00 2.20 H new ATOM 702 N SER A 50 17.888 4.304 -1.224 1.00 2.11 N ATOM 703 CA SER A 50 17.969 2.905 -1.634 1.00 2.30 C ATOM 704 C SER A 50 19.400 2.381 -1.567 1.00 1.95 C ATOM 705 O SER A 50 20.205 2.639 -2.462 1.00 2.12 O ATOM 706 CB SER A 50 17.421 2.736 -3.051 1.00 3.06 C ATOM 707 OG SER A 50 17.617 1.412 -3.519 1.00 3.47 O ATOM 0 H SER A 50 17.184 4.486 -0.509 1.00 2.11 H new ATOM 0 HA SER A 50 17.364 2.323 -0.939 1.00 2.30 H new ATOM 0 HB2 SER A 50 16.358 2.976 -3.064 1.00 3.06 H new ATOM 0 HB3 SER A 50 17.915 3.439 -3.722 1.00 3.06 H new ATOM 0 HG SER A 50 17.257 1.329 -4.427 1.00 3.47 H new ATOM 713 N LYS A 51 19.708 1.633 -0.508 1.00 1.81 N ATOM 714 CA LYS A 51 21.045 1.061 -0.334 1.00 1.81 C ATOM 715 C LYS A 51 21.252 0.497 1.070 1.00 1.86 C ATOM 716 O LYS A 51 22.390 0.329 1.507 1.00 2.42 O ATOM 717 CB LYS A 51 22.122 2.109 -0.622 1.00 2.17 C ATOM 718 CG LYS A 51 21.809 3.481 -0.043 1.00 2.27 C ATOM 719 CD LYS A 51 23.065 4.322 0.109 1.00 2.64 C ATOM 720 CE LYS A 51 23.919 3.842 1.271 1.00 3.02 C ATOM 721 NZ LYS A 51 25.369 4.077 1.030 1.00 3.62 N ATOM 0 H LYS A 51 19.053 1.409 0.241 1.00 1.81 H new ATOM 0 HA LYS A 51 21.130 0.240 -1.046 1.00 1.81 H new ATOM 0 HB2 LYS A 51 23.072 1.761 -0.217 1.00 2.17 H new ATOM 0 HB3 LYS A 51 22.249 2.200 -1.701 1.00 2.17 H new ATOM 0 HG2 LYS A 51 21.101 3.997 -0.691 1.00 2.27 H new ATOM 0 HG3 LYS A 51 21.327 3.366 0.928 1.00 2.27 H new ATOM 0 HD2 LYS A 51 23.646 4.280 -0.812 1.00 2.64 H new ATOM 0 HD3 LYS A 51 22.789 5.365 0.265 1.00 2.64 H new ATOM 0 HE2 LYS A 51 23.615 4.357 2.182 1.00 3.02 H new ATOM 0 HE3 LYS A 51 23.746 2.778 1.433 1.00 3.02 H new ATOM 0 HZ1 LYS A 51 25.916 3.736 1.846 1.00 3.62 H new ATOM 0 HZ2 LYS A 51 25.666 3.565 0.175 1.00 3.62 H new ATOM 0 HZ3 LYS A 51 25.539 5.095 0.901 1.00 3.62 H new ATOM 735 N LYS A 52 20.158 0.198 1.773 1.00 1.89 N ATOM 736 CA LYS A 52 20.242 -0.354 3.126 1.00 2.02 C ATOM 737 C LYS A 52 18.900 -0.255 3.856 1.00 1.85 C ATOM 738 O LYS A 52 18.790 0.429 4.874 1.00 2.17 O ATOM 739 CB LYS A 52 21.328 0.365 3.940 1.00 2.50 C ATOM 740 CG LYS A 52 22.601 -0.450 4.111 1.00 2.79 C ATOM 741 CD LYS A 52 22.806 -0.873 5.558 1.00 2.92 C ATOM 742 CE LYS A 52 23.194 0.308 6.434 1.00 2.95 C ATOM 743 NZ LYS A 52 24.656 0.581 6.387 1.00 3.19 N ATOM 0 H LYS A 52 19.207 0.328 1.429 1.00 1.89 H new ATOM 0 HA LYS A 52 20.505 -1.408 3.031 1.00 2.02 H new ATOM 0 HB2 LYS A 52 21.573 1.307 3.450 1.00 2.50 H new ATOM 0 HB3 LYS A 52 20.929 0.611 4.924 1.00 2.50 H new ATOM 0 HG2 LYS A 52 22.555 -1.335 3.476 1.00 2.79 H new ATOM 0 HG3 LYS A 52 23.457 0.137 3.778 1.00 2.79 H new ATOM 0 HD2 LYS A 52 21.890 -1.325 5.939 1.00 2.92 H new ATOM 0 HD3 LYS A 52 23.583 -1.636 5.609 1.00 2.92 H new ATOM 0 HE2 LYS A 52 22.649 1.194 6.109 1.00 2.95 H new ATOM 0 HE3 LYS A 52 22.895 0.109 7.463 1.00 2.95 H new ATOM 0 HZ1 LYS A 52 24.877 1.393 6.998 1.00 3.19 H new ATOM 0 HZ2 LYS A 52 25.176 -0.255 6.721 1.00 3.19 H new ATOM 0 HZ3 LYS A 52 24.938 0.796 5.409 1.00 3.19 H new ATOM 757 N PRO A 53 17.859 -0.948 3.362 1.00 1.54 N ATOM 758 CA PRO A 53 16.542 -0.935 3.998 1.00 1.53 C ATOM 759 C PRO A 53 16.495 -1.842 5.222 1.00 1.70 C ATOM 760 O PRO A 53 15.474 -1.924 5.906 1.00 2.18 O ATOM 761 CB PRO A 53 15.620 -1.480 2.911 1.00 1.31 C ATOM 762 CG PRO A 53 16.485 -2.387 2.110 1.00 1.55 C ATOM 763 CD PRO A 53 17.882 -1.810 2.164 1.00 1.49 C ATOM 0 HA PRO A 53 16.268 0.058 4.354 1.00 1.53 H new ATOM 0 HB2 PRO A 53 14.773 -2.016 3.340 1.00 1.31 H new ATOM 0 HB3 PRO A 53 15.211 -0.677 2.298 1.00 1.31 H new ATOM 0 HG2 PRO A 53 16.467 -3.398 2.516 1.00 1.55 H new ATOM 0 HG3 PRO A 53 16.132 -2.451 1.081 1.00 1.55 H new ATOM 0 HD2 PRO A 53 18.636 -2.593 2.249 1.00 1.49 H new ATOM 0 HD3 PRO A 53 18.115 -1.240 1.265 1.00 1.49 H new ATOM 771 N TYR A 54 17.599 -2.543 5.481 1.00 1.87 N ATOM 772 CA TYR A 54 17.667 -3.463 6.608 1.00 2.10 C ATOM 773 C TYR A 54 16.499 -4.440 6.550 1.00 1.75 C ATOM 774 O TYR A 54 16.042 -4.942 7.576 1.00 2.06 O ATOM 775 CB TYR A 54 17.639 -2.696 7.932 1.00 2.60 C ATOM 776 CG TYR A 54 18.573 -1.507 7.969 1.00 3.05 C ATOM 777 CD1 TYR A 54 18.155 -0.256 7.531 1.00 3.32 C ATOM 778 CD2 TYR A 54 19.871 -1.634 8.449 1.00 3.73 C ATOM 779 CE1 TYR A 54 19.006 0.833 7.569 1.00 3.91 C ATOM 780 CE2 TYR A 54 20.726 -0.550 8.491 1.00 4.38 C ATOM 781 CZ TYR A 54 20.289 0.681 8.049 1.00 4.33 C ATOM 782 OH TYR A 54 21.139 1.763 8.088 1.00 5.08 O ATOM 0 H TYR A 54 18.453 -2.489 4.926 1.00 1.87 H new ATOM 0 HA TYR A 54 18.604 -4.017 6.548 1.00 2.10 H new ATOM 0 HB2 TYR A 54 16.622 -2.353 8.121 1.00 2.60 H new ATOM 0 HB3 TYR A 54 17.901 -3.377 8.741 1.00 2.60 H new ATOM 0 HD1 TYR A 54 17.150 -0.133 7.155 1.00 3.32 H new ATOM 0 HD2 TYR A 54 20.217 -2.597 8.795 1.00 3.73 H new ATOM 0 HE1 TYR A 54 18.667 1.799 7.224 1.00 3.91 H new ATOM 0 HE2 TYR A 54 21.731 -0.666 8.868 1.00 4.38 H new ATOM 0 HH TYR A 54 21.768 1.658 8.832 1.00 5.08 H new ATOM 792 N GLU A 55 16.004 -4.683 5.336 1.00 1.38 N ATOM 793 CA GLU A 55 14.869 -5.574 5.137 1.00 1.41 C ATOM 794 C GLU A 55 13.711 -5.123 6.012 1.00 1.82 C ATOM 795 O GLU A 55 13.650 -5.462 7.193 1.00 2.76 O ATOM 796 CB GLU A 55 15.248 -7.022 5.465 1.00 1.83 C ATOM 797 CG GLU A 55 16.683 -7.379 5.111 1.00 2.25 C ATOM 798 CD GLU A 55 17.627 -7.225 6.288 1.00 2.84 C ATOM 799 OE1 GLU A 55 17.323 -7.776 7.366 1.00 3.44 O ATOM 800 OE2 GLU A 55 18.670 -6.558 6.131 1.00 3.23 O ATOM 0 H GLU A 55 16.374 -4.274 4.478 1.00 1.38 H new ATOM 0 HA GLU A 55 14.570 -5.533 4.090 1.00 1.41 H new ATOM 0 HB2 GLU A 55 15.093 -7.195 6.530 1.00 1.83 H new ATOM 0 HB3 GLU A 55 14.575 -7.693 4.932 1.00 1.83 H new ATOM 0 HG2 GLU A 55 16.720 -8.407 4.752 1.00 2.25 H new ATOM 0 HG3 GLU A 55 17.021 -6.743 4.293 1.00 2.25 H new ATOM 807 N GLU A 56 12.801 -4.343 5.430 1.00 1.48 N ATOM 808 CA GLU A 56 11.648 -3.824 6.159 1.00 2.23 C ATOM 809 C GLU A 56 10.974 -2.702 5.390 1.00 1.95 C ATOM 810 O GLU A 56 9.824 -2.357 5.662 1.00 2.10 O ATOM 811 CB GLU A 56 12.051 -3.325 7.559 1.00 3.00 C ATOM 812 CG GLU A 56 11.371 -4.062 8.708 1.00 3.90 C ATOM 813 CD GLU A 56 11.299 -5.564 8.502 1.00 4.81 C ATOM 814 OE1 GLU A 56 10.349 -6.027 7.836 1.00 5.45 O ATOM 815 OE2 GLU A 56 12.190 -6.277 9.010 1.00 5.23 O ATOM 0 H GLU A 56 12.842 -4.057 4.452 1.00 1.48 H new ATOM 0 HA GLU A 56 10.942 -4.646 6.272 1.00 2.23 H new ATOM 0 HB2 GLU A 56 13.131 -3.422 7.669 1.00 3.00 H new ATOM 0 HB3 GLU A 56 11.817 -2.263 7.635 1.00 3.00 H new ATOM 0 HG2 GLU A 56 11.910 -3.855 9.632 1.00 3.90 H new ATOM 0 HG3 GLU A 56 10.361 -3.671 8.834 1.00 3.90 H new ATOM 822 N VAL A 57 11.681 -2.141 4.425 1.00 1.67 N ATOM 823 CA VAL A 57 11.116 -1.064 3.620 1.00 1.42 C ATOM 824 C VAL A 57 11.693 -1.020 2.210 1.00 1.40 C ATOM 825 O VAL A 57 12.900 -0.869 2.016 1.00 1.59 O ATOM 826 CB VAL A 57 11.305 0.321 4.269 1.00 1.41 C ATOM 827 CG1 VAL A 57 10.319 1.319 3.668 1.00 1.30 C ATOM 828 CG2 VAL A 57 11.141 0.242 5.780 1.00 1.54 C ATOM 0 H VAL A 57 12.635 -2.406 4.179 1.00 1.67 H new ATOM 0 HA VAL A 57 10.051 -1.291 3.563 1.00 1.42 H new ATOM 0 HB VAL A 57 12.319 0.664 4.063 1.00 1.41 H new ATOM 0 HG11 VAL A 57 10.460 2.295 4.133 1.00 1.30 H new ATOM 0 HG12 VAL A 57 10.492 1.400 2.595 1.00 1.30 H new ATOM 0 HG13 VAL A 57 9.300 0.976 3.847 1.00 1.30 H new ATOM 0 HG21 VAL A 57 11.279 1.233 6.213 1.00 1.54 H new ATOM 0 HG22 VAL A 57 10.142 -0.122 6.019 1.00 1.54 H new ATOM 0 HG23 VAL A 57 11.884 -0.441 6.191 1.00 1.54 H new ATOM 838 N THR A 58 10.800 -1.113 1.230 1.00 1.27 N ATOM 839 CA THR A 58 11.171 -1.043 -0.176 1.00 1.34 C ATOM 840 C THR A 58 10.567 0.221 -0.767 1.00 1.12 C ATOM 841 O THR A 58 9.405 0.232 -1.175 1.00 1.30 O ATOM 842 CB THR A 58 10.665 -2.276 -0.932 1.00 1.50 C ATOM 843 OG1 THR A 58 10.557 -3.387 -0.060 1.00 2.10 O ATOM 844 CG2 THR A 58 11.557 -2.680 -2.084 1.00 1.84 C ATOM 0 H THR A 58 9.800 -1.239 1.389 1.00 1.27 H new ATOM 0 HA THR A 58 12.257 -1.019 -0.269 1.00 1.34 H new ATOM 0 HB THR A 58 9.692 -1.991 -1.332 1.00 1.50 H new ATOM 0 HG1 THR A 58 10.231 -4.164 -0.560 1.00 2.10 H new ATOM 0 HG21 THR A 58 11.141 -3.559 -2.576 1.00 1.84 H new ATOM 0 HG22 THR A 58 11.621 -1.860 -2.800 1.00 1.84 H new ATOM 0 HG23 THR A 58 12.554 -2.912 -1.708 1.00 1.84 H new ATOM 852 N CYS A 59 11.339 1.303 -0.752 1.00 0.96 N ATOM 853 CA CYS A 59 10.851 2.591 -1.231 1.00 0.91 C ATOM 854 C CYS A 59 10.855 2.701 -2.752 1.00 0.85 C ATOM 855 O CYS A 59 11.277 1.786 -3.458 1.00 0.97 O ATOM 856 CB CYS A 59 11.682 3.714 -0.620 1.00 1.12 C ATOM 857 SG CYS A 59 11.594 3.791 1.201 1.00 1.76 S ATOM 0 H CYS A 59 12.302 1.314 -0.415 1.00 0.96 H new ATOM 0 HA CYS A 59 9.812 2.679 -0.915 1.00 0.91 H new ATOM 0 HB2 CYS A 59 12.723 3.587 -0.919 1.00 1.12 H new ATOM 0 HB3 CYS A 59 11.346 4.666 -1.031 1.00 1.12 H new ATOM 862 N CYS A 60 10.364 3.840 -3.240 1.00 0.81 N ATOM 863 CA CYS A 60 10.284 4.103 -4.672 1.00 0.92 C ATOM 864 C CYS A 60 10.121 5.601 -4.928 1.00 1.07 C ATOM 865 O CYS A 60 9.300 6.262 -4.291 1.00 1.18 O ATOM 866 CB CYS A 60 9.108 3.332 -5.285 1.00 1.06 C ATOM 867 SG CYS A 60 8.776 3.727 -7.034 1.00 1.28 S ATOM 0 H CYS A 60 10.013 4.600 -2.657 1.00 0.81 H new ATOM 0 HA CYS A 60 11.209 3.767 -5.141 1.00 0.92 H new ATOM 0 HB2 CYS A 60 9.305 2.264 -5.198 1.00 1.06 H new ATOM 0 HB3 CYS A 60 8.211 3.539 -4.702 1.00 1.06 H new ATOM 872 N SER A 61 10.907 6.131 -5.860 1.00 1.42 N ATOM 873 CA SER A 61 10.849 7.551 -6.193 1.00 1.75 C ATOM 874 C SER A 61 9.657 7.854 -7.094 1.00 1.50 C ATOM 875 O SER A 61 9.803 8.000 -8.307 1.00 2.04 O ATOM 876 CB SER A 61 12.145 7.985 -6.881 1.00 2.45 C ATOM 877 OG SER A 61 12.470 9.326 -6.559 1.00 3.07 O ATOM 0 H SER A 61 11.591 5.599 -6.398 1.00 1.42 H new ATOM 0 HA SER A 61 10.729 8.111 -5.265 1.00 1.75 H new ATOM 0 HB2 SER A 61 12.959 7.327 -6.577 1.00 2.45 H new ATOM 0 HB3 SER A 61 12.039 7.883 -7.961 1.00 2.45 H new ATOM 0 HG SER A 61 13.303 9.578 -7.010 1.00 3.07 H new ATOM 883 N THR A 62 8.473 7.948 -6.490 1.00 1.19 N ATOM 884 CA THR A 62 7.250 8.234 -7.216 1.00 1.51 C ATOM 885 C THR A 62 6.050 8.040 -6.299 1.00 1.17 C ATOM 886 O THR A 62 6.140 7.366 -5.272 1.00 1.76 O ATOM 887 CB THR A 62 7.110 7.335 -8.451 1.00 2.24 C ATOM 888 OG1 THR A 62 7.915 6.172 -8.328 1.00 2.63 O ATOM 889 CG2 THR A 62 7.484 8.033 -9.743 1.00 3.17 C ATOM 0 H THR A 62 8.341 7.827 -5.486 1.00 1.19 H new ATOM 0 HA THR A 62 7.291 9.269 -7.554 1.00 1.51 H new ATOM 0 HB THR A 62 6.054 7.069 -8.497 1.00 2.24 H new ATOM 0 HG1 THR A 62 7.710 5.720 -7.483 1.00 2.63 H new ATOM 0 HG21 THR A 62 7.363 7.343 -10.578 1.00 3.17 H new ATOM 0 HG22 THR A 62 6.836 8.897 -9.890 1.00 3.17 H new ATOM 0 HG23 THR A 62 8.522 8.362 -9.692 1.00 3.17 H new ATOM 897 N ASP A 63 4.936 8.632 -6.683 1.00 1.15 N ATOM 898 CA ASP A 63 3.704 8.534 -5.920 1.00 1.03 C ATOM 899 C ASP A 63 3.245 7.084 -5.849 1.00 1.09 C ATOM 900 O ASP A 63 4.065 6.191 -5.672 1.00 1.65 O ATOM 901 CB ASP A 63 2.636 9.429 -6.560 1.00 1.37 C ATOM 902 CG ASP A 63 2.298 9.001 -7.975 1.00 1.72 C ATOM 903 OD1 ASP A 63 3.107 8.271 -8.585 1.00 2.19 O ATOM 904 OD2 ASP A 63 1.223 9.398 -8.474 1.00 2.35 O ATOM 0 H ASP A 63 4.858 9.194 -7.531 1.00 1.15 H new ATOM 0 HA ASP A 63 3.875 8.877 -4.900 1.00 1.03 H new ATOM 0 HB2 ASP A 63 1.733 9.406 -5.950 1.00 1.37 H new ATOM 0 HB3 ASP A 63 2.988 10.461 -6.569 1.00 1.37 H new ATOM 909 N LYS A 64 1.938 6.865 -5.975 1.00 0.90 N ATOM 910 CA LYS A 64 1.348 5.524 -5.919 1.00 0.95 C ATOM 911 C LYS A 64 2.223 4.483 -6.619 1.00 0.92 C ATOM 912 O LYS A 64 1.835 3.913 -7.639 1.00 1.04 O ATOM 913 CB LYS A 64 -0.045 5.541 -6.556 1.00 1.17 C ATOM 914 CG LYS A 64 -0.099 6.279 -7.884 1.00 1.41 C ATOM 915 CD LYS A 64 -1.533 6.560 -8.306 1.00 1.82 C ATOM 916 CE LYS A 64 -2.289 5.275 -8.611 1.00 2.05 C ATOM 917 NZ LYS A 64 -2.658 5.173 -10.049 1.00 2.31 N ATOM 0 H LYS A 64 1.256 7.610 -6.119 1.00 0.90 H new ATOM 0 HA LYS A 64 1.273 5.242 -4.869 1.00 0.95 H new ATOM 0 HB2 LYS A 64 -0.379 4.514 -6.707 1.00 1.17 H new ATOM 0 HB3 LYS A 64 -0.746 6.006 -5.863 1.00 1.17 H new ATOM 0 HG2 LYS A 64 0.448 7.218 -7.802 1.00 1.41 H new ATOM 0 HG3 LYS A 64 0.398 5.686 -8.652 1.00 1.41 H new ATOM 0 HD2 LYS A 64 -2.046 7.105 -7.514 1.00 1.82 H new ATOM 0 HD3 LYS A 64 -1.535 7.202 -9.187 1.00 1.82 H new ATOM 0 HE2 LYS A 64 -1.675 4.418 -8.333 1.00 2.05 H new ATOM 0 HE3 LYS A 64 -3.191 5.232 -8.001 1.00 2.05 H new ATOM 0 HZ1 LYS A 64 -3.171 4.283 -10.213 1.00 2.31 H new ATOM 0 HZ2 LYS A 64 -3.265 5.976 -10.309 1.00 2.31 H new ATOM 0 HZ3 LYS A 64 -1.796 5.188 -10.631 1.00 2.31 H new ATOM 931 N CYS A 65 3.403 4.245 -6.060 1.00 0.87 N ATOM 932 CA CYS A 65 4.339 3.279 -6.623 1.00 0.95 C ATOM 933 C CYS A 65 4.277 1.954 -5.867 1.00 0.99 C ATOM 934 O CYS A 65 5.224 1.170 -5.896 1.00 1.20 O ATOM 935 CB CYS A 65 5.767 3.840 -6.581 1.00 1.07 C ATOM 936 SG CYS A 65 7.008 2.803 -7.425 1.00 1.10 S ATOM 0 H CYS A 65 3.736 4.709 -5.215 1.00 0.87 H new ATOM 0 HA CYS A 65 4.056 3.096 -7.660 1.00 0.95 H new ATOM 0 HB2 CYS A 65 5.769 4.831 -7.036 1.00 1.07 H new ATOM 0 HB3 CYS A 65 6.064 3.967 -5.540 1.00 1.07 H new ATOM 941 N ASN A 66 3.161 1.706 -5.187 1.00 0.97 N ATOM 942 CA ASN A 66 3.006 0.470 -4.430 1.00 1.10 C ATOM 943 C ASN A 66 1.566 -0.058 -4.447 1.00 1.10 C ATOM 944 O ASN A 66 1.081 -0.563 -3.434 1.00 1.36 O ATOM 945 CB ASN A 66 3.462 0.688 -2.986 1.00 1.36 C ATOM 946 CG ASN A 66 2.682 1.787 -2.288 1.00 1.42 C ATOM 947 OD1 ASN A 66 1.887 1.525 -1.388 1.00 2.26 O ATOM 948 ND2 ASN A 66 2.905 3.028 -2.701 1.00 1.30 N ATOM 0 H ASN A 66 2.360 2.337 -5.145 1.00 0.97 H new ATOM 0 HA ASN A 66 3.629 -0.283 -4.912 1.00 1.10 H new ATOM 0 HB2 ASN A 66 3.350 -0.242 -2.429 1.00 1.36 H new ATOM 0 HB3 ASN A 66 4.523 0.939 -2.978 1.00 1.36 H new ATOM 0 HD21 ASN A 66 2.408 3.807 -2.268 1.00 1.30 H new ATOM 0 HD22 ASN A 66 3.573 3.203 -3.451 1.00 1.30 H new ATOM 955 N PRO A 67 0.858 0.033 -5.595 1.00 1.16 N ATOM 956 CA PRO A 67 -0.520 -0.459 -5.707 1.00 1.40 C ATOM 957 C PRO A 67 -0.715 -1.813 -5.025 1.00 1.32 C ATOM 958 O PRO A 67 -1.439 -1.909 -4.038 1.00 2.15 O ATOM 959 CB PRO A 67 -0.722 -0.589 -7.216 1.00 1.82 C ATOM 960 CG PRO A 67 0.171 0.446 -7.810 1.00 1.96 C ATOM 961 CD PRO A 67 1.337 0.611 -6.868 1.00 1.39 C ATOM 0 HA PRO A 67 -1.232 0.207 -5.220 1.00 1.40 H new ATOM 0 HB2 PRO A 67 -0.458 -1.587 -7.566 1.00 1.82 H new ATOM 0 HB3 PRO A 67 -1.763 -0.419 -7.492 1.00 1.82 H new ATOM 0 HG2 PRO A 67 0.513 0.139 -8.798 1.00 1.96 H new ATOM 0 HG3 PRO A 67 -0.361 1.389 -7.935 1.00 1.96 H new ATOM 0 HD2 PRO A 67 2.222 0.090 -7.234 1.00 1.39 H new ATOM 0 HD3 PRO A 67 1.610 1.660 -6.752 1.00 1.39 H new ATOM 969 N HIS A 68 -0.045 -2.839 -5.567 1.00 1.17 N ATOM 970 CA HIS A 68 -0.092 -4.221 -5.057 1.00 1.35 C ATOM 971 C HIS A 68 -1.112 -5.072 -5.825 1.00 1.64 C ATOM 972 O HIS A 68 -0.722 -5.962 -6.581 1.00 1.88 O ATOM 973 CB HIS A 68 -0.351 -4.293 -3.542 1.00 1.54 C ATOM 974 CG HIS A 68 0.832 -4.769 -2.758 1.00 1.41 C ATOM 975 ND1 HIS A 68 1.772 -5.641 -3.266 1.00 1.87 N ATOM 976 CD2 HIS A 68 1.230 -4.485 -1.497 1.00 1.36 C ATOM 977 CE1 HIS A 68 2.696 -5.872 -2.350 1.00 2.07 C ATOM 978 NE2 HIS A 68 2.392 -5.180 -1.267 1.00 1.71 N ATOM 0 H HIS A 68 0.555 -2.733 -6.385 1.00 1.17 H new ATOM 0 HA HIS A 68 0.901 -4.638 -5.228 1.00 1.35 H new ATOM 0 HB2 HIS A 68 -0.642 -3.306 -3.183 1.00 1.54 H new ATOM 0 HB3 HIS A 68 -1.193 -4.960 -3.356 1.00 1.54 H new ATOM 0 HD1 HIS A 68 1.756 -6.045 -4.203 1.00 1.87 H new ATOM 0 HD2 HIS A 68 0.727 -3.832 -0.799 1.00 1.36 H new ATOM 0 HE1 HIS A 68 3.554 -6.517 -2.467 1.00 2.07 H new ATOM 987 N PRO A 69 -2.431 -4.829 -5.659 1.00 2.29 N ATOM 988 CA PRO A 69 -3.458 -5.605 -6.367 1.00 2.71 C ATOM 989 C PRO A 69 -3.331 -5.481 -7.882 1.00 2.34 C ATOM 990 O PRO A 69 -2.326 -4.985 -8.391 1.00 3.02 O ATOM 991 CB PRO A 69 -4.781 -4.989 -5.895 1.00 3.76 C ATOM 992 CG PRO A 69 -4.448 -4.266 -4.638 1.00 4.04 C ATOM 993 CD PRO A 69 -3.030 -3.799 -4.794 1.00 3.10 C ATOM 0 HA PRO A 69 -3.373 -6.670 -6.153 1.00 2.71 H new ATOM 0 HB2 PRO A 69 -5.188 -4.310 -6.644 1.00 3.76 H new ATOM 0 HB3 PRO A 69 -5.533 -5.758 -5.719 1.00 3.76 H new ATOM 0 HG2 PRO A 69 -5.122 -3.423 -4.482 1.00 4.04 H new ATOM 0 HG3 PRO A 69 -4.551 -4.920 -3.772 1.00 4.04 H new ATOM 0 HD2 PRO A 69 -2.979 -2.810 -5.250 1.00 3.10 H new ATOM 0 HD3 PRO A 69 -2.520 -3.733 -3.833 1.00 3.10 H new ATOM 1001 N LYS A 70 -4.358 -5.934 -8.596 1.00 2.00 N ATOM 1002 CA LYS A 70 -4.375 -5.876 -10.058 1.00 2.33 C ATOM 1003 C LYS A 70 -3.519 -6.992 -10.665 1.00 2.26 C ATOM 1004 O LYS A 70 -4.001 -7.774 -11.485 1.00 2.99 O ATOM 1005 CB LYS A 70 -3.921 -4.486 -10.549 1.00 3.09 C ATOM 1006 CG LYS A 70 -2.569 -4.463 -11.252 1.00 3.73 C ATOM 1007 CD LYS A 70 -2.276 -3.093 -11.845 1.00 4.47 C ATOM 1008 CE LYS A 70 -1.967 -2.068 -10.764 1.00 5.07 C ATOM 1009 NZ LYS A 70 -3.029 -1.031 -10.661 1.00 5.67 N ATOM 0 H LYS A 70 -5.195 -6.348 -8.185 1.00 2.00 H new ATOM 0 HA LYS A 70 -5.399 -6.034 -10.395 1.00 2.33 H new ATOM 0 HB2 LYS A 70 -4.675 -4.094 -11.231 1.00 3.09 H new ATOM 0 HB3 LYS A 70 -3.881 -3.810 -9.695 1.00 3.09 H new ATOM 0 HG2 LYS A 70 -1.784 -4.730 -10.544 1.00 3.73 H new ATOM 0 HG3 LYS A 70 -2.555 -5.214 -12.042 1.00 3.73 H new ATOM 0 HD2 LYS A 70 -1.431 -3.166 -12.530 1.00 4.47 H new ATOM 0 HD3 LYS A 70 -3.133 -2.758 -12.430 1.00 4.47 H new ATOM 0 HE2 LYS A 70 -1.860 -2.574 -9.804 1.00 5.07 H new ATOM 0 HE3 LYS A 70 -1.012 -1.589 -10.980 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 -2.780 -0.352 -9.913 1.00 5.67 H new ATOM 0 HZ2 LYS A 70 -3.115 -0.530 -11.569 1.00 5.67 H new ATOM 0 HZ3 LYS A 70 -3.936 -1.485 -10.429 1.00 5.67 H new ATOM 1023 N GLN A 71 -2.254 -7.061 -10.261 1.00 2.06 N ATOM 1024 CA GLN A 71 -1.344 -8.082 -10.770 1.00 2.50 C ATOM 1025 C GLN A 71 -1.256 -8.024 -12.294 1.00 1.86 C ATOM 1026 O GLN A 71 -1.454 -9.029 -12.976 1.00 2.31 O ATOM 1027 CB GLN A 71 -1.803 -9.472 -10.326 1.00 3.57 C ATOM 1028 CG GLN A 71 -2.211 -9.540 -8.863 1.00 4.33 C ATOM 1029 CD GLN A 71 -1.060 -9.236 -7.924 1.00 5.35 C ATOM 1030 OE1 GLN A 71 -1.168 -8.377 -7.050 1.00 5.85 O ATOM 1031 NE2 GLN A 71 0.049 -9.945 -8.101 1.00 6.01 N ATOM 0 H GLN A 71 -1.836 -6.423 -9.584 1.00 2.06 H new ATOM 0 HA GLN A 71 -0.353 -7.886 -10.360 1.00 2.50 H new ATOM 0 HB2 GLN A 71 -2.646 -9.782 -10.944 1.00 3.57 H new ATOM 0 HB3 GLN A 71 -0.998 -10.185 -10.504 1.00 3.57 H new ATOM 0 HG2 GLN A 71 -3.020 -8.832 -8.682 1.00 4.33 H new ATOM 0 HG3 GLN A 71 -2.602 -10.534 -8.644 1.00 4.33 H new ATOM 0 HE21 GLN A 71 0.093 -10.647 -8.839 1.00 6.01 H new ATOM 0 HE22 GLN A 71 0.857 -9.787 -7.499 1.00 6.01 H new ATOM 1040 N ARG A 72 -0.960 -6.840 -12.822 1.00 1.67 N ATOM 1041 CA ARG A 72 -0.847 -6.651 -14.264 1.00 1.59 C ATOM 1042 C ARG A 72 -2.116 -7.119 -14.978 1.00 1.44 C ATOM 1043 O ARG A 72 -2.269 -8.304 -15.272 1.00 1.86 O ATOM 1044 CB ARG A 72 0.366 -7.411 -14.804 1.00 2.48 C ATOM 1045 CG ARG A 72 1.663 -7.077 -14.083 1.00 3.28 C ATOM 1046 CD ARG A 72 2.784 -6.767 -15.062 1.00 4.14 C ATOM 1047 NE ARG A 72 3.336 -7.978 -15.665 1.00 4.72 N ATOM 1048 CZ ARG A 72 4.200 -8.785 -15.055 1.00 5.47 C ATOM 1049 NH1 ARG A 72 4.615 -8.512 -13.822 1.00 5.75 N ATOM 1050 NH2 ARG A 72 4.652 -9.866 -15.675 1.00 6.26 N ATOM 0 H ARG A 72 -0.794 -5.997 -12.272 1.00 1.67 H new ATOM 0 HA ARG A 72 -0.716 -5.586 -14.457 1.00 1.59 H new ATOM 0 HB2 ARG A 72 0.180 -8.482 -14.722 1.00 2.48 H new ATOM 0 HB3 ARG A 72 0.482 -7.188 -15.865 1.00 2.48 H new ATOM 0 HG2 ARG A 72 1.505 -6.221 -13.427 1.00 3.28 H new ATOM 0 HG3 ARG A 72 1.954 -7.915 -13.449 1.00 3.28 H new ATOM 0 HD2 ARG A 72 2.408 -6.110 -15.847 1.00 4.14 H new ATOM 0 HD3 ARG A 72 3.577 -6.226 -14.546 1.00 4.14 H new ATOM 0 HE ARG A 72 3.041 -8.219 -16.611 1.00 4.72 H new ATOM 0 HH11 ARG A 72 4.271 -7.681 -13.340 1.00 5.75 H new ATOM 0 HH12 ARG A 72 5.277 -9.133 -13.358 1.00 5.75 H new ATOM 0 HH21 ARG A 72 4.337 -10.080 -16.621 1.00 6.26 H new ATOM 0 HH22 ARG A 72 5.314 -10.484 -15.206 1.00 6.26 H new ATOM 1064 N PRO A 73 -3.046 -6.190 -15.266 1.00 2.17 N ATOM 1065 CA PRO A 73 -4.303 -6.517 -15.945 1.00 2.96 C ATOM 1066 C PRO A 73 -4.110 -6.772 -17.436 1.00 2.97 C ATOM 1067 O PRO A 73 -2.984 -6.918 -17.910 1.00 3.20 O ATOM 1068 CB PRO A 73 -5.153 -5.267 -15.723 1.00 4.03 C ATOM 1069 CG PRO A 73 -4.165 -4.159 -15.610 1.00 4.11 C ATOM 1070 CD PRO A 73 -2.948 -4.751 -14.950 1.00 3.05 C ATOM 0 HA PRO A 73 -4.751 -7.432 -15.558 1.00 2.96 H new ATOM 0 HB2 PRO A 73 -5.841 -5.102 -16.552 1.00 4.03 H new ATOM 0 HB3 PRO A 73 -5.757 -5.353 -14.820 1.00 4.03 H new ATOM 0 HG2 PRO A 73 -3.918 -3.755 -16.592 1.00 4.11 H new ATOM 0 HG3 PRO A 73 -4.568 -3.336 -15.019 1.00 4.11 H new ATOM 0 HD2 PRO A 73 -2.028 -4.316 -15.342 1.00 3.05 H new ATOM 0 HD3 PRO A 73 -2.950 -4.576 -13.874 1.00 3.05 H new ATOM 1078 N GLY A 74 -5.218 -6.825 -18.170 1.00 3.36 N ATOM 1079 CA GLY A 74 -5.150 -7.062 -19.600 1.00 3.85 C ATOM 1080 C GLY A 74 -6.382 -6.563 -20.329 1.00 4.53 C ATOM 1081 O GLY A 74 -6.466 -5.343 -20.587 1.00 5.10 O ATOM 1082 OXT GLY A 74 -7.262 -7.391 -20.644 1.00 4.92 O ATOM 0 H GLY A 74 -6.161 -6.708 -17.799 1.00 3.36 H new ATOM 0 HA2 GLY A 74 -4.267 -6.568 -20.005 1.00 3.85 H new ATOM 0 HA3 GLY A 74 -5.031 -8.130 -19.783 1.00 3.85 H new TER 1086 GLY A 74 ATOM 1087 N ILE B 178 -11.937 -18.054 22.273 1.00 3.07 N ATOM 1088 CA ILE B 178 -10.501 -17.999 22.654 1.00 2.53 C ATOM 1089 C ILE B 178 -9.851 -16.709 22.158 1.00 2.20 C ATOM 1090 O ILE B 178 -9.080 -16.721 21.198 1.00 2.61 O ATOM 1091 CB ILE B 178 -9.726 -19.205 22.090 1.00 2.64 C ATOM 1092 CG1 ILE B 178 -10.397 -20.514 22.513 1.00 3.03 C ATOM 1093 CG2 ILE B 178 -8.277 -19.176 22.554 1.00 3.47 C ATOM 1094 CD1 ILE B 178 -11.610 -20.871 21.681 1.00 3.49 C ATOM 0 HA ILE B 178 -10.458 -18.027 23.743 1.00 2.53 H new ATOM 0 HB ILE B 178 -9.738 -19.144 21.002 1.00 2.64 H new ATOM 0 HG12 ILE B 178 -9.670 -21.323 22.446 1.00 3.03 H new ATOM 0 HG13 ILE B 178 -10.694 -20.439 23.559 1.00 3.03 H new ATOM 0 HG21 ILE B 178 -7.747 -20.036 22.145 1.00 3.47 H new ATOM 0 HG22 ILE B 178 -7.802 -18.258 22.207 1.00 3.47 H new ATOM 0 HG23 ILE B 178 -8.243 -19.213 23.643 1.00 3.47 H new ATOM 0 HD11 ILE B 178 -12.033 -21.810 22.038 1.00 3.49 H new ATOM 0 HD12 ILE B 178 -12.356 -20.081 21.768 1.00 3.49 H new ATOM 0 HD13 ILE B 178 -11.316 -20.979 20.637 1.00 3.49 H new ATOM 1108 N PRO B 179 -10.152 -15.573 22.810 1.00 2.20 N ATOM 1109 CA PRO B 179 -9.591 -14.274 22.431 1.00 2.43 C ATOM 1110 C PRO B 179 -8.119 -14.148 22.810 1.00 2.12 C ATOM 1111 O PRO B 179 -7.470 -15.137 23.151 1.00 2.52 O ATOM 1112 CB PRO B 179 -10.433 -13.280 23.231 1.00 3.31 C ATOM 1113 CG PRO B 179 -10.879 -14.045 24.427 1.00 3.56 C ATOM 1114 CD PRO B 179 -11.062 -15.467 23.967 1.00 2.87 C ATOM 0 HA PRO B 179 -9.624 -14.113 21.353 1.00 2.43 H new ATOM 0 HB2 PRO B 179 -9.849 -12.404 23.515 1.00 3.31 H new ATOM 0 HB3 PRO B 179 -11.283 -12.922 22.650 1.00 3.31 H new ATOM 0 HG2 PRO B 179 -10.140 -13.986 25.226 1.00 3.56 H new ATOM 0 HG3 PRO B 179 -11.810 -13.641 24.824 1.00 3.56 H new ATOM 0 HD2 PRO B 179 -10.801 -16.179 24.750 1.00 2.87 H new ATOM 0 HD3 PRO B 179 -12.095 -15.668 23.685 1.00 2.87 H new ATOM 1122 N GLY B 180 -7.598 -12.927 22.749 1.00 2.20 N ATOM 1123 CA GLY B 180 -6.207 -12.697 23.092 1.00 2.49 C ATOM 1124 C GLY B 180 -5.262 -13.042 21.958 1.00 2.05 C ATOM 1125 O GLY B 180 -4.321 -13.816 22.139 1.00 2.79 O ATOM 0 H GLY B 180 -8.114 -12.093 22.468 1.00 2.20 H new ATOM 0 HA2 GLY B 180 -6.073 -11.651 23.366 1.00 2.49 H new ATOM 0 HA3 GLY B 180 -5.950 -13.292 23.968 1.00 2.49 H new ATOM 1129 N LYS B 181 -5.512 -12.469 20.785 1.00 1.68 N ATOM 1130 CA LYS B 181 -4.674 -12.721 19.618 1.00 2.16 C ATOM 1131 C LYS B 181 -3.567 -11.677 19.510 1.00 1.86 C ATOM 1132 O LYS B 181 -3.717 -10.669 18.821 1.00 2.39 O ATOM 1133 CB LYS B 181 -5.523 -12.718 18.346 1.00 3.11 C ATOM 1134 CG LYS B 181 -6.022 -14.097 17.943 1.00 3.99 C ATOM 1135 CD LYS B 181 -6.662 -14.078 16.564 1.00 4.80 C ATOM 1136 CE LYS B 181 -7.227 -15.439 16.192 1.00 5.59 C ATOM 1137 NZ LYS B 181 -6.157 -16.462 16.024 1.00 6.37 N ATOM 0 H LYS B 181 -6.287 -11.828 20.617 1.00 1.68 H new ATOM 0 HA LYS B 181 -4.213 -13.702 19.735 1.00 2.16 H new ATOM 0 HB2 LYS B 181 -6.379 -12.060 18.492 1.00 3.11 H new ATOM 0 HB3 LYS B 181 -4.936 -12.300 17.528 1.00 3.11 H new ATOM 0 HG2 LYS B 181 -5.191 -14.802 17.950 1.00 3.99 H new ATOM 0 HG3 LYS B 181 -6.746 -14.451 18.676 1.00 3.99 H new ATOM 0 HD2 LYS B 181 -7.458 -13.334 16.542 1.00 4.80 H new ATOM 0 HD3 LYS B 181 -5.922 -13.775 15.823 1.00 4.80 H new ATOM 0 HE2 LYS B 181 -7.923 -15.766 16.965 1.00 5.59 H new ATOM 0 HE3 LYS B 181 -7.796 -15.354 15.266 1.00 5.59 H new ATOM 0 HZ1 LYS B 181 -6.572 -17.342 15.656 1.00 6.37 H new ATOM 0 HZ2 LYS B 181 -5.443 -16.110 15.355 1.00 6.37 H new ATOM 0 HZ3 LYS B 181 -5.708 -16.649 16.943 1.00 6.37 H new ATOM 1151 N ARG B 182 -2.456 -11.926 20.197 1.00 1.81 N ATOM 1152 CA ARG B 182 -1.324 -11.006 20.180 1.00 1.93 C ATOM 1153 C ARG B 182 -0.188 -11.556 19.323 1.00 1.94 C ATOM 1154 O ARG B 182 0.987 -11.313 19.601 1.00 2.65 O ATOM 1155 CB ARG B 182 -0.827 -10.750 21.604 1.00 2.78 C ATOM 1156 CG ARG B 182 -1.497 -9.565 22.277 1.00 3.51 C ATOM 1157 CD ARG B 182 -0.786 -9.173 23.564 1.00 4.27 C ATOM 1158 NE ARG B 182 -0.476 -7.747 23.606 1.00 4.96 N ATOM 1159 CZ ARG B 182 0.554 -7.193 22.968 1.00 5.70 C ATOM 1160 NH1 ARG B 182 1.376 -7.941 22.243 1.00 5.93 N ATOM 1161 NH2 ARG B 182 0.760 -5.886 23.058 1.00 6.51 N ATOM 0 H ARG B 182 -2.316 -12.757 20.772 1.00 1.81 H new ATOM 0 HA ARG B 182 -1.659 -10.065 19.745 1.00 1.93 H new ATOM 0 HB2 ARG B 182 -0.997 -11.643 22.205 1.00 2.78 H new ATOM 0 HB3 ARG B 182 0.250 -10.583 21.580 1.00 2.78 H new ATOM 0 HG2 ARG B 182 -1.507 -8.716 21.594 1.00 3.51 H new ATOM 0 HG3 ARG B 182 -2.536 -9.810 22.496 1.00 3.51 H new ATOM 0 HD2 ARG B 182 -1.412 -9.433 24.418 1.00 4.27 H new ATOM 0 HD3 ARG B 182 0.136 -9.747 23.658 1.00 4.27 H new ATOM 0 HE ARG B 182 -1.083 -7.139 24.156 1.00 4.96 H new ATOM 0 HH11 ARG B 182 1.221 -8.947 22.172 1.00 5.93 H new ATOM 0 HH12 ARG B 182 2.163 -7.510 21.757 1.00 5.93 H new ATOM 0 HH21 ARG B 182 0.131 -5.308 23.615 1.00 6.51 H new ATOM 0 HH22 ARG B 182 1.548 -5.459 22.571 1.00 6.51 H new ATOM 1175 N THR B 183 -0.546 -12.297 18.282 1.00 2.03 N ATOM 1176 CA THR B 183 0.441 -12.881 17.382 1.00 2.67 C ATOM 1177 C THR B 183 -0.117 -12.989 15.968 1.00 2.51 C ATOM 1178 O THR B 183 -0.180 -14.078 15.393 1.00 3.25 O ATOM 1179 CB THR B 183 0.868 -14.261 17.887 1.00 3.75 C ATOM 1180 OG1 THR B 183 1.312 -14.188 19.230 1.00 4.22 O ATOM 1181 CG2 THR B 183 1.979 -14.880 17.068 1.00 4.70 C ATOM 0 H THR B 183 -1.514 -12.508 18.040 1.00 2.03 H new ATOM 0 HA THR B 183 1.313 -12.228 17.360 1.00 2.67 H new ATOM 0 HB THR B 183 -0.019 -14.889 17.798 1.00 3.75 H new ATOM 0 HG1 THR B 183 1.579 -15.080 19.535 1.00 4.22 H new ATOM 0 HG21 THR B 183 2.234 -15.857 17.480 1.00 4.70 H new ATOM 0 HG22 THR B 183 1.649 -14.996 16.036 1.00 4.70 H new ATOM 0 HG23 THR B 183 2.856 -14.234 17.098 1.00 4.70 H new ATOM 1189 N GLU B 184 -0.524 -11.853 15.409 1.00 2.17 N ATOM 1190 CA GLU B 184 -1.082 -11.822 14.062 1.00 2.63 C ATOM 1191 C GLU B 184 -0.764 -10.500 13.370 1.00 1.99 C ATOM 1192 O GLU B 184 -0.745 -9.443 14.002 1.00 2.48 O ATOM 1193 CB GLU B 184 -2.602 -12.039 14.095 1.00 3.66 C ATOM 1194 CG GLU B 184 -3.206 -12.010 15.492 1.00 4.47 C ATOM 1195 CD GLU B 184 -3.079 -13.339 16.210 1.00 5.39 C ATOM 1196 OE1 GLU B 184 -3.282 -14.387 15.561 1.00 5.92 O ATOM 1197 OE2 GLU B 184 -2.776 -13.332 17.422 1.00 5.91 O ATOM 0 H GLU B 184 -0.478 -10.943 15.868 1.00 2.17 H new ATOM 0 HA GLU B 184 -0.623 -12.633 13.496 1.00 2.63 H new ATOM 0 HB2 GLU B 184 -3.081 -11.270 13.488 1.00 3.66 H new ATOM 0 HB3 GLU B 184 -2.831 -12.999 13.632 1.00 3.66 H new ATOM 0 HG2 GLU B 184 -2.714 -11.235 16.080 1.00 4.47 H new ATOM 0 HG3 GLU B 184 -4.259 -11.738 15.423 1.00 4.47 H new ATOM 1204 N SER B 185 -0.518 -10.569 12.067 1.00 1.62 N ATOM 1205 CA SER B 185 -0.204 -9.383 11.278 1.00 1.32 C ATOM 1206 C SER B 185 -0.808 -9.492 9.882 1.00 1.14 C ATOM 1207 O SER B 185 -1.268 -10.559 9.478 1.00 1.33 O ATOM 1208 CB SER B 185 1.311 -9.195 11.180 1.00 1.85 C ATOM 1209 OG SER B 185 1.669 -7.835 11.359 1.00 2.53 O ATOM 0 H SER B 185 -0.530 -11.438 11.532 1.00 1.62 H new ATOM 0 HA SER B 185 -0.636 -8.516 11.777 1.00 1.32 H new ATOM 0 HB2 SER B 185 1.806 -9.807 11.934 1.00 1.85 H new ATOM 0 HB3 SER B 185 1.661 -9.542 10.208 1.00 1.85 H new ATOM 0 HG SER B 185 2.614 -7.776 11.611 1.00 2.53 H new ATOM 1215 N PHE B 186 -0.792 -8.388 9.143 1.00 0.93 N ATOM 1216 CA PHE B 186 -1.334 -8.374 7.789 1.00 0.80 C ATOM 1217 C PHE B 186 -0.321 -8.977 6.831 1.00 0.66 C ATOM 1218 O PHE B 186 0.748 -8.412 6.602 1.00 0.75 O ATOM 1219 CB PHE B 186 -1.684 -6.934 7.370 1.00 0.92 C ATOM 1220 CG PHE B 186 -2.233 -6.787 5.967 1.00 0.83 C ATOM 1221 CD1 PHE B 186 -1.450 -7.077 4.855 1.00 1.35 C ATOM 1222 CD2 PHE B 186 -3.529 -6.331 5.752 1.00 1.48 C ATOM 1223 CE1 PHE B 186 -1.944 -6.924 3.580 1.00 1.33 C ATOM 1224 CE2 PHE B 186 -4.015 -6.177 4.478 1.00 1.51 C ATOM 1225 CZ PHE B 186 -3.225 -6.474 3.392 1.00 0.85 C ATOM 0 H PHE B 186 -0.412 -7.495 9.457 1.00 0.93 H new ATOM 0 HA PHE B 186 -2.247 -8.969 7.760 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -2.416 -6.536 8.073 1.00 0.92 H new ATOM 0 HB3 PHE B 186 -0.789 -6.319 7.459 1.00 0.92 H new ATOM 0 HD1 PHE B 186 -0.438 -7.428 4.994 1.00 1.35 H new ATOM 0 HD2 PHE B 186 -4.160 -6.096 6.597 1.00 1.48 H new ATOM 0 HE1 PHE B 186 -1.323 -7.158 2.728 1.00 1.33 H new ATOM 0 HE2 PHE B 186 -5.023 -5.821 4.327 1.00 1.51 H new ATOM 0 HZ PHE B 186 -3.614 -6.353 2.392 1.00 0.85 H new ATOM 1235 N TYR B 187 -0.663 -10.129 6.270 1.00 0.91 N ATOM 1236 CA TYR B 187 0.222 -10.805 5.337 1.00 1.05 C ATOM 1237 C TYR B 187 0.117 -10.138 3.988 1.00 1.22 C ATOM 1238 O TYR B 187 1.064 -9.550 3.467 1.00 1.44 O ATOM 1239 CB TYR B 187 -0.147 -12.290 5.241 1.00 1.25 C ATOM 1240 CG TYR B 187 0.927 -13.252 5.728 1.00 1.52 C ATOM 1241 CD1 TYR B 187 2.015 -12.823 6.486 1.00 2.06 C ATOM 1242 CD2 TYR B 187 0.842 -14.603 5.423 1.00 2.13 C ATOM 1243 CE1 TYR B 187 2.978 -13.717 6.915 1.00 2.50 C ATOM 1244 CE2 TYR B 187 1.802 -15.500 5.852 1.00 2.51 C ATOM 1245 CZ TYR B 187 2.868 -15.052 6.596 1.00 2.47 C ATOM 1246 OH TYR B 187 3.826 -15.944 7.023 1.00 3.02 O ATOM 0 H TYR B 187 -1.544 -10.612 6.445 1.00 0.91 H new ATOM 0 HA TYR B 187 1.251 -10.737 5.689 1.00 1.05 H new ATOM 0 HB2 TYR B 187 -1.056 -12.461 5.818 1.00 1.25 H new ATOM 0 HB3 TYR B 187 -0.380 -12.525 4.202 1.00 1.25 H new ATOM 0 HD1 TYR B 187 2.107 -11.778 6.742 1.00 2.06 H new ATOM 0 HD2 TYR B 187 0.008 -14.961 4.838 1.00 2.13 H new ATOM 0 HE1 TYR B 187 3.816 -13.369 7.500 1.00 2.50 H new ATOM 0 HE2 TYR B 187 1.715 -16.548 5.604 1.00 2.51 H new ATOM 0 HH TYR B 187 4.501 -16.059 6.322 1.00 3.02 H new ATOM 1256 N GLU B 188 -1.068 -10.207 3.482 1.00 1.44 N ATOM 1257 CA GLU B 188 -1.433 -9.596 2.225 1.00 1.78 C ATOM 1258 C GLU B 188 -2.937 -9.296 2.254 1.00 1.81 C ATOM 1259 O GLU B 188 -3.565 -9.086 1.218 1.00 2.15 O ATOM 1260 CB GLU B 188 -1.033 -10.489 1.036 1.00 2.16 C ATOM 1261 CG GLU B 188 -1.605 -10.041 -0.301 1.00 2.93 C ATOM 1262 CD GLU B 188 -2.800 -10.867 -0.737 1.00 3.70 C ATOM 1263 OE1 GLU B 188 -2.638 -12.090 -0.930 1.00 4.13 O ATOM 1264 OE2 GLU B 188 -3.897 -10.291 -0.890 1.00 4.33 O ATOM 0 H GLU B 188 -1.838 -10.700 3.934 1.00 1.44 H new ATOM 0 HA GLU B 188 -0.891 -8.660 2.089 1.00 1.78 H new ATOM 0 HB2 GLU B 188 0.054 -10.513 0.964 1.00 2.16 H new ATOM 0 HB3 GLU B 188 -1.361 -11.509 1.236 1.00 2.16 H new ATOM 0 HG2 GLU B 188 -1.899 -8.994 -0.232 1.00 2.93 H new ATOM 0 HG3 GLU B 188 -0.828 -10.105 -1.063 1.00 2.93 H new ATOM 1271 N CYS B 189 -3.503 -9.257 3.477 1.00 1.58 N ATOM 1272 CA CYS B 189 -4.931 -8.956 3.648 1.00 1.74 C ATOM 1273 C CYS B 189 -5.336 -8.670 5.073 1.00 1.77 C ATOM 1274 O CYS B 189 -5.931 -7.639 5.375 1.00 1.94 O ATOM 1275 CB CYS B 189 -5.840 -10.124 3.205 1.00 2.02 C ATOM 1276 SG CYS B 189 -7.463 -10.199 4.096 1.00 2.25 S ATOM 0 H CYS B 189 -2.998 -9.428 4.347 1.00 1.58 H new ATOM 0 HA CYS B 189 -5.063 -8.070 3.026 1.00 1.74 H new ATOM 0 HB2 CYS B 189 -6.029 -10.038 2.135 1.00 2.02 H new ATOM 0 HB3 CYS B 189 -5.309 -11.063 3.360 1.00 2.02 H new ATOM 1281 N CYS B 190 -5.174 -9.668 5.903 1.00 1.78 N ATOM 1282 CA CYS B 190 -5.697 -9.582 7.237 1.00 2.00 C ATOM 1283 C CYS B 190 -4.758 -10.124 8.305 1.00 2.10 C ATOM 1284 O CYS B 190 -3.848 -10.905 8.024 1.00 2.27 O ATOM 1285 CB CYS B 190 -7.017 -10.360 7.202 1.00 2.26 C ATOM 1286 SG CYS B 190 -7.201 -11.443 5.714 1.00 2.48 S ATOM 0 H CYS B 190 -4.690 -10.538 5.681 1.00 1.78 H new ATOM 0 HA CYS B 190 -5.833 -8.538 7.520 1.00 2.00 H new ATOM 0 HB2 CYS B 190 -7.090 -10.975 8.099 1.00 2.26 H new ATOM 0 HB3 CYS B 190 -7.846 -9.653 7.231 1.00 2.26 H new ATOM 1291 N LYS B 191 -5.003 -9.694 9.544 1.00 2.47 N ATOM 1292 CA LYS B 191 -4.205 -10.116 10.686 1.00 2.86 C ATOM 1293 C LYS B 191 -4.710 -11.449 11.230 1.00 2.35 C ATOM 1294 O LYS B 191 -4.966 -11.594 12.425 1.00 2.77 O ATOM 1295 CB LYS B 191 -4.248 -9.048 11.783 1.00 3.80 C ATOM 1296 CG LYS B 191 -3.183 -7.973 11.624 1.00 4.39 C ATOM 1297 CD LYS B 191 -3.778 -6.576 11.706 1.00 4.90 C ATOM 1298 CE LYS B 191 -3.572 -5.962 13.082 1.00 5.66 C ATOM 1299 NZ LYS B 191 -2.304 -5.187 13.160 1.00 6.10 N ATOM 0 H LYS B 191 -5.756 -9.048 9.779 1.00 2.47 H new ATOM 0 HA LYS B 191 -3.173 -10.245 10.358 1.00 2.86 H new ATOM 0 HB2 LYS B 191 -5.231 -8.577 11.783 1.00 3.80 H new ATOM 0 HB3 LYS B 191 -4.125 -9.529 12.753 1.00 3.80 H new ATOM 0 HG2 LYS B 191 -2.427 -8.093 12.400 1.00 4.39 H new ATOM 0 HG3 LYS B 191 -2.679 -8.098 10.665 1.00 4.39 H new ATOM 0 HD2 LYS B 191 -3.319 -5.939 10.950 1.00 4.90 H new ATOM 0 HD3 LYS B 191 -4.844 -6.620 11.482 1.00 4.90 H new ATOM 0 HE2 LYS B 191 -4.412 -5.308 13.317 1.00 5.66 H new ATOM 0 HE3 LYS B 191 -3.562 -6.751 13.834 1.00 5.66 H new ATOM 0 HZ1 LYS B 191 -2.201 -4.785 14.114 1.00 6.10 H new ATOM 0 HZ2 LYS B 191 -1.500 -5.816 12.961 1.00 6.10 H new ATOM 0 HZ3 LYS B 191 -2.324 -4.418 12.460 1.00 6.10 H new ATOM 1313 N GLU B 192 -4.843 -12.418 10.336 1.00 1.95 N ATOM 1314 CA GLU B 192 -5.310 -13.753 10.699 1.00 2.22 C ATOM 1315 C GLU B 192 -4.557 -14.809 9.897 1.00 1.81 C ATOM 1316 O GLU B 192 -3.838 -15.632 10.463 1.00 2.43 O ATOM 1317 CB GLU B 192 -6.825 -13.901 10.476 1.00 3.14 C ATOM 1318 CG GLU B 192 -7.509 -12.669 9.898 1.00 3.77 C ATOM 1319 CD GLU B 192 -8.961 -12.558 10.318 1.00 4.68 C ATOM 1320 OE1 GLU B 192 -9.604 -13.612 10.514 1.00 5.28 O ATOM 1321 OE2 GLU B 192 -9.455 -11.419 10.450 1.00 5.13 O ATOM 0 H GLU B 192 -4.632 -12.305 9.344 1.00 1.95 H new ATOM 0 HA GLU B 192 -5.112 -13.898 11.761 1.00 2.22 H new ATOM 0 HB2 GLU B 192 -6.999 -14.743 9.807 1.00 3.14 H new ATOM 0 HB3 GLU B 192 -7.296 -14.148 11.428 1.00 3.14 H new ATOM 0 HG2 GLU B 192 -6.973 -11.776 10.219 1.00 3.77 H new ATOM 0 HG3 GLU B 192 -7.451 -12.702 8.810 1.00 3.77 H new ATOM 1328 N PRO B 193 -4.708 -14.805 8.560 1.00 1.51 N ATOM 1329 CA PRO B 193 -4.034 -15.763 7.684 1.00 1.90 C ATOM 1330 C PRO B 193 -2.555 -15.936 8.030 1.00 1.60 C ATOM 1331 O PRO B 193 -2.030 -17.049 7.983 1.00 1.96 O ATOM 1332 CB PRO B 193 -4.190 -15.154 6.278 1.00 2.66 C ATOM 1333 CG PRO B 193 -4.828 -13.816 6.473 1.00 2.76 C ATOM 1334 CD PRO B 193 -5.546 -13.881 7.786 1.00 1.99 C ATOM 0 HA PRO B 193 -4.465 -16.760 7.777 1.00 1.90 H new ATOM 0 HB2 PRO B 193 -3.222 -15.056 5.786 1.00 2.66 H new ATOM 0 HB3 PRO B 193 -4.807 -15.791 5.644 1.00 2.66 H new ATOM 0 HG2 PRO B 193 -4.078 -13.025 6.478 1.00 2.76 H new ATOM 0 HG3 PRO B 193 -5.521 -13.593 5.661 1.00 2.76 H new ATOM 0 HD2 PRO B 193 -5.615 -12.902 8.260 1.00 1.99 H new ATOM 0 HD3 PRO B 193 -6.564 -14.253 7.674 1.00 1.99 H new ATOM 1342 N TYR B 194 -1.879 -14.837 8.374 1.00 1.23 N ATOM 1343 CA TYR B 194 -0.458 -14.898 8.719 1.00 1.39 C ATOM 1344 C TYR B 194 -0.197 -16.013 9.743 1.00 1.45 C ATOM 1345 O TYR B 194 0.439 -17.013 9.410 1.00 1.96 O ATOM 1346 CB TYR B 194 0.039 -13.527 9.221 1.00 1.75 C ATOM 1347 CG TYR B 194 1.547 -13.419 9.427 1.00 1.52 C ATOM 1348 CD1 TYR B 194 2.340 -14.542 9.658 1.00 2.04 C ATOM 1349 CD2 TYR B 194 2.177 -12.177 9.400 1.00 1.91 C ATOM 1350 CE1 TYR B 194 3.699 -14.431 9.854 1.00 2.43 C ATOM 1351 CE2 TYR B 194 3.541 -12.064 9.593 1.00 2.18 C ATOM 1352 CZ TYR B 194 4.295 -13.194 9.821 1.00 2.27 C ATOM 1353 OH TYR B 194 5.653 -13.087 10.018 1.00 2.93 O ATOM 0 H TYR B 194 -2.288 -13.904 8.421 1.00 1.23 H new ATOM 0 HA TYR B 194 0.110 -15.141 7.821 1.00 1.39 H new ATOM 0 HB2 TYR B 194 -0.270 -12.763 8.508 1.00 1.75 H new ATOM 0 HB3 TYR B 194 -0.458 -13.302 10.165 1.00 1.75 H new ATOM 0 HD1 TYR B 194 1.880 -15.519 9.684 1.00 2.04 H new ATOM 0 HD2 TYR B 194 1.590 -11.287 9.225 1.00 1.91 H new ATOM 0 HE1 TYR B 194 4.294 -15.314 10.033 1.00 2.43 H new ATOM 0 HE2 TYR B 194 4.014 -11.093 9.565 1.00 2.18 H new ATOM 0 HH TYR B 194 6.095 -13.901 9.699 1.00 2.93 H new ATOM 1363 N PRO B 195 -0.684 -15.872 10.998 1.00 1.87 N ATOM 1364 CA PRO B 195 -0.498 -16.873 12.046 1.00 2.22 C ATOM 1365 C PRO B 195 -0.378 -18.298 11.507 1.00 2.24 C ATOM 1366 O PRO B 195 -1.361 -18.895 11.070 1.00 2.85 O ATOM 1367 CB PRO B 195 -1.777 -16.724 12.867 1.00 3.25 C ATOM 1368 CG PRO B 195 -2.189 -15.292 12.709 1.00 3.64 C ATOM 1369 CD PRO B 195 -1.460 -14.732 11.507 1.00 2.77 C ATOM 0 HA PRO B 195 0.427 -16.717 12.601 1.00 2.22 H new ATOM 0 HB2 PRO B 195 -2.555 -17.398 12.508 1.00 3.25 H new ATOM 0 HB3 PRO B 195 -1.602 -16.969 13.915 1.00 3.25 H new ATOM 0 HG2 PRO B 195 -3.268 -15.218 12.571 1.00 3.64 H new ATOM 0 HG3 PRO B 195 -1.943 -14.722 13.605 1.00 3.64 H new ATOM 0 HD2 PRO B 195 -2.156 -14.357 10.757 1.00 2.77 H new ATOM 0 HD3 PRO B 195 -0.812 -13.901 11.785 1.00 2.77 H new ATOM 1377 N ASP B 196 0.839 -18.836 11.543 1.00 2.52 N ATOM 1378 CA ASP B 196 1.092 -20.189 11.058 1.00 3.36 C ATOM 1379 C ASP B 196 0.234 -21.206 11.807 1.00 4.02 C ATOM 1380 O ASP B 196 0.209 -22.382 11.386 1.00 4.44 O ATOM 1381 CB ASP B 196 2.573 -20.539 11.213 1.00 3.87 C ATOM 1382 CG ASP B 196 3.144 -21.204 9.976 1.00 4.51 C ATOM 1383 OD1 ASP B 196 2.757 -20.809 8.856 1.00 4.88 O ATOM 1384 OD2 ASP B 196 3.979 -22.121 10.127 1.00 5.03 O ATOM 0 H ASP B 196 1.664 -18.356 11.903 1.00 2.52 H new ATOM 0 HA ASP B 196 0.826 -20.226 10.002 1.00 3.36 H new ATOM 0 HB2 ASP B 196 3.137 -19.631 11.427 1.00 3.87 H new ATOM 0 HB3 ASP B 196 2.699 -21.202 12.069 1.00 3.87 H new TER 1389 ASP B 196