USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 712 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 68 MET CE :methyl -152:sc= -0.0603 (180deg=-0.631) USER MOD Set 1.2: A 72 GLN : amide:sc=-0.00141 K(o=-0.062,f=-0.65) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0612 (180deg=-0.313) USER MOD Single : A 5 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0598) USER MOD Single : A 6 SER OG : rot 180:sc= -1.48 USER MOD Single : A 7 SER OG : rot 61:sc= 0.598 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -144:sc= 0.107 USER MOD Single : A 21 MET CE :methyl -131:sc= -6.97! (180deg=-13.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 11:sc= -0.433 USER MOD Single : A 32 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : 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 GLN : amide:sc= -9.95! C(o=-10!,f=-15!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 CYS SG : rot -4:sc= 0.449 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.0139 USER MOD Single : A 74 THR OG1 : rot -48:sc= 0.59 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.67 K(o=-0.67,f=-1.2) USER MOD Single : A 82 SER OG : rot 64:sc= 1.15 USER MOD Single : A 83 MET CE :methyl 164:sc= -0.72 (180deg=-1.73) USER MOD Single : A 89 ASN : amide:sc= -1.32! C(o=-1.3!,f=-2.9!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.828 -4.391 8.343 1.00 0.00 N ATOM 2 CA MET A 1 15.347 -3.039 8.421 1.00 0.00 C ATOM 3 C MET A 1 15.449 -2.443 7.024 1.00 0.00 C ATOM 4 O MET A 1 16.262 -1.542 6.820 1.00 0.00 O ATOM 5 CB MET A 1 16.712 -3.059 9.100 1.00 0.00 C ATOM 6 CG MET A 1 16.605 -2.410 10.477 1.00 0.00 C ATOM 7 SD MET A 1 17.993 -1.324 10.889 1.00 0.00 S ATOM 8 CE MET A 1 17.339 -0.576 12.401 1.00 0.00 C ATOM 0 H1 MET A 1 14.965 -4.869 9.257 1.00 0.00 H new ATOM 0 H2 MET A 1 13.813 -4.361 8.116 1.00 0.00 H new ATOM 0 H3 MET A 1 15.333 -4.914 7.600 1.00 0.00 H new ATOM 0 HA MET A 1 14.671 -2.419 9.010 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.067 -4.085 9.196 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.441 -2.525 8.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.680 -1.835 10.525 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.533 -3.193 11.232 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.067 0.130 12.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.411 -0.051 12.175 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.145 -1.355 13.138 1.00 0.00 H new ATOM 20 N LEU A 2 14.638 -2.945 6.105 1.00 0.00 N ATOM 21 CA LEU A 2 14.654 -2.446 4.741 1.00 0.00 C ATOM 22 C LEU A 2 13.498 -1.463 4.548 1.00 0.00 C ATOM 23 O LEU A 2 12.530 -1.481 5.306 1.00 0.00 O ATOM 24 CB LEU A 2 14.645 -3.608 3.745 1.00 0.00 C ATOM 25 CG LEU A 2 13.395 -4.490 3.755 1.00 0.00 C ATOM 26 CD1 LEU A 2 12.923 -4.787 2.330 1.00 0.00 C ATOM 27 CD2 LEU A 2 13.632 -5.770 4.559 1.00 0.00 C ATOM 0 H LEU A 2 13.966 -3.692 6.278 1.00 0.00 H new ATOM 0 HA LEU A 2 15.576 -1.897 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.771 -3.201 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 2 15.512 -4.238 3.944 1.00 0.00 H new ATOM 0 HG LEU A 2 12.595 -3.942 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 2 12.033 -5.416 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 2 12.687 -3.852 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.712 -5.306 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.728 -6.378 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 2 14.452 -6.333 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 2 13.885 -5.512 5.587 1.00 0.00 H new ATOM 39 N VAL A 3 13.638 -0.628 3.528 1.00 0.00 N ATOM 40 CA VAL A 3 12.618 0.361 3.226 1.00 0.00 C ATOM 41 C VAL A 3 11.879 -0.048 1.950 1.00 0.00 C ATOM 42 O VAL A 3 12.189 -1.076 1.352 1.00 0.00 O ATOM 43 CB VAL A 3 13.248 1.753 3.131 1.00 0.00 C ATOM 44 CG1 VAL A 3 13.641 2.079 1.689 1.00 0.00 C ATOM 45 CG2 VAL A 3 12.311 2.819 3.700 1.00 0.00 C ATOM 0 H VAL A 3 14.442 -0.617 2.901 1.00 0.00 H new ATOM 0 HA VAL A 3 11.882 0.406 4.029 1.00 0.00 H new ATOM 0 HB VAL A 3 14.157 1.752 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 3 14.086 3.073 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.363 1.344 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.754 2.053 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 3 12.783 3.798 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.377 2.820 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 3 12.104 2.600 4.748 1.00 0.00 H new ATOM 55 N ALA A 4 10.914 0.779 1.572 1.00 0.00 N ATOM 56 CA ALA A 4 10.128 0.516 0.379 1.00 0.00 C ATOM 57 C ALA A 4 8.981 -0.435 0.728 1.00 0.00 C ATOM 58 O ALA A 4 9.212 -1.532 1.234 1.00 0.00 O ATOM 59 CB ALA A 4 11.037 -0.045 -0.717 1.00 0.00 C ATOM 0 H ALA A 4 10.659 1.631 2.071 1.00 0.00 H new ATOM 0 HA ALA A 4 9.688 1.438 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.448 -0.243 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.817 0.680 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.494 -0.972 -0.371 1.00 0.00 H new ATOM 65 N LYS A 5 7.770 0.022 0.443 1.00 0.00 N ATOM 66 CA LYS A 5 6.587 -0.775 0.722 1.00 0.00 C ATOM 67 C LYS A 5 5.871 -1.092 -0.594 1.00 0.00 C ATOM 68 O LYS A 5 6.244 -0.579 -1.647 1.00 0.00 O ATOM 69 CB LYS A 5 5.699 -0.073 1.750 1.00 0.00 C ATOM 70 CG LYS A 5 6.308 -0.161 3.151 1.00 0.00 C ATOM 71 CD LYS A 5 5.371 -0.898 4.111 1.00 0.00 C ATOM 72 CE LYS A 5 5.760 -0.634 5.567 1.00 0.00 C ATOM 73 NZ LYS A 5 5.318 0.715 5.986 1.00 0.00 N ATOM 0 H LYS A 5 7.583 0.932 0.023 1.00 0.00 H new ATOM 0 HA LYS A 5 6.866 -1.727 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.570 0.973 1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.708 -0.527 1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.266 -0.679 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.506 0.842 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.344 -0.576 3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.407 -1.969 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.309 -1.388 6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.840 -0.721 5.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.420 0.809 7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.902 1.434 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.321 0.851 5.723 1.00 0.00 H new ATOM 87 N SER A 6 4.856 -1.936 -0.488 1.00 0.00 N ATOM 88 CA SER A 6 4.084 -2.329 -1.655 1.00 0.00 C ATOM 89 C SER A 6 2.679 -2.762 -1.234 1.00 0.00 C ATOM 90 O SER A 6 2.416 -2.959 -0.048 1.00 0.00 O ATOM 91 CB SER A 6 4.780 -3.456 -2.421 1.00 0.00 C ATOM 92 OG SER A 6 3.969 -3.962 -3.478 1.00 0.00 O ATOM 0 H SER A 6 4.550 -2.359 0.388 1.00 0.00 H new ATOM 0 HA SER A 6 4.007 -1.468 -2.319 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.721 -3.089 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.025 -4.265 -1.733 1.00 0.00 H new ATOM 0 HG SER A 6 4.449 -4.678 -3.944 1.00 0.00 H new ATOM 98 N SER A 7 1.812 -2.897 -2.226 1.00 0.00 N ATOM 99 CA SER A 7 0.441 -3.303 -1.972 1.00 0.00 C ATOM 100 C SER A 7 0.074 -4.494 -2.862 1.00 0.00 C ATOM 101 O SER A 7 0.602 -4.635 -3.964 1.00 0.00 O ATOM 102 CB SER A 7 -0.529 -2.145 -2.211 1.00 0.00 C ATOM 103 OG SER A 7 -1.889 -2.568 -2.161 1.00 0.00 O ATOM 0 H SER A 7 2.033 -2.732 -3.208 1.00 0.00 H new ATOM 0 HA SER A 7 0.361 -3.600 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.362 -1.372 -1.461 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.325 -1.696 -3.183 1.00 0.00 H new ATOM 0 HG SER A 7 -2.083 -2.942 -1.276 1.00 0.00 H new ATOM 109 N ILE A 8 -0.826 -5.319 -2.348 1.00 0.00 N ATOM 110 CA ILE A 8 -1.269 -6.492 -3.082 1.00 0.00 C ATOM 111 C ILE A 8 -2.784 -6.637 -2.936 1.00 0.00 C ATOM 112 O ILE A 8 -3.293 -6.793 -1.826 1.00 0.00 O ATOM 113 CB ILE A 8 -0.487 -7.730 -2.637 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.021 -7.495 -2.751 1.00 0.00 C ATOM 115 CG2 ILE A 8 -0.935 -8.970 -3.412 1.00 0.00 C ATOM 116 CD1 ILE A 8 1.552 -6.735 -1.534 1.00 0.00 C ATOM 0 H ILE A 8 -1.260 -5.199 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.060 -6.377 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.706 -7.913 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.536 -8.452 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.237 -6.931 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.363 -9.835 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.996 -9.146 -3.236 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.765 -8.814 -4.477 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.626 -6.582 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.053 -5.769 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.356 -7.313 -0.631 1.00 0.00 H new ATOM 128 N LEU A 9 -3.465 -6.582 -4.072 1.00 0.00 N ATOM 129 CA LEU A 9 -4.912 -6.706 -4.084 1.00 0.00 C ATOM 130 C LEU A 9 -5.293 -8.187 -4.094 1.00 0.00 C ATOM 131 O LEU A 9 -5.113 -8.872 -5.100 1.00 0.00 O ATOM 132 CB LEU A 9 -5.508 -5.910 -5.247 1.00 0.00 C ATOM 133 CG LEU A 9 -7.029 -5.748 -5.239 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.457 -4.626 -4.291 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.566 -5.535 -6.656 1.00 0.00 C ATOM 0 H LEU A 9 -3.040 -6.453 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.339 -6.273 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.057 -4.918 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.219 -6.395 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.468 -6.672 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.543 -4.532 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.126 -4.859 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.008 -3.686 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.650 -5.423 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.121 -4.636 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.310 -6.395 -7.275 1.00 0.00 H new ATOM 147 N LEU A 10 -5.813 -8.640 -2.963 1.00 0.00 N ATOM 148 CA LEU A 10 -6.221 -10.028 -2.829 1.00 0.00 C ATOM 149 C LEU A 10 -7.642 -10.192 -3.373 1.00 0.00 C ATOM 150 O LEU A 10 -8.438 -9.256 -3.332 1.00 0.00 O ATOM 151 CB LEU A 10 -6.058 -10.497 -1.381 1.00 0.00 C ATOM 152 CG LEU A 10 -4.649 -10.926 -0.970 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.711 -9.720 -0.888 1.00 0.00 C ATOM 154 CD2 LEU A 10 -4.677 -11.721 0.338 1.00 0.00 C ATOM 0 H LEU A 10 -5.961 -8.070 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.575 -10.674 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.378 -9.691 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.735 -11.335 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.255 -11.589 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.716 -10.053 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.658 -9.233 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.090 -9.014 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.662 -12.014 0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.099 -11.103 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.290 -12.613 0.209 1.00 0.00 H new ATOM 166 N ASP A 11 -7.916 -11.390 -3.870 1.00 0.00 N ATOM 167 CA ASP A 11 -9.227 -11.688 -4.420 1.00 0.00 C ATOM 168 C ASP A 11 -9.755 -12.983 -3.798 1.00 0.00 C ATOM 169 O ASP A 11 -9.410 -14.076 -4.245 1.00 0.00 O ATOM 170 CB ASP A 11 -9.155 -11.888 -5.936 1.00 0.00 C ATOM 171 CG ASP A 11 -10.004 -10.917 -6.758 1.00 0.00 C ATOM 172 OD1 ASP A 11 -10.687 -10.041 -6.205 1.00 0.00 O ATOM 173 OD2 ASP A 11 -9.946 -11.087 -8.035 1.00 0.00 O ATOM 0 H ASP A 11 -7.253 -12.164 -3.903 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.885 -10.848 -4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.116 -11.794 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.467 -12.906 -6.168 1.00 0.00 H new ATOM 178 N VAL A 12 -10.581 -12.816 -2.776 1.00 0.00 N ATOM 179 CA VAL A 12 -11.159 -13.957 -2.088 1.00 0.00 C ATOM 180 C VAL A 12 -12.595 -14.167 -2.573 1.00 0.00 C ATOM 181 O VAL A 12 -13.231 -13.234 -3.060 1.00 0.00 O ATOM 182 CB VAL A 12 -11.063 -13.759 -0.573 1.00 0.00 C ATOM 183 CG1 VAL A 12 -11.841 -14.845 0.172 1.00 0.00 C ATOM 184 CG2 VAL A 12 -9.603 -13.718 -0.118 1.00 0.00 C ATOM 0 H VAL A 12 -10.864 -11.908 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.602 -14.864 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.516 -12.798 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.756 -14.681 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.891 -14.806 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.431 -15.823 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.562 -13.576 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.114 -14.656 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.091 -12.892 -0.612 1.00 0.00 H new ATOM 194 N LYS A 13 -13.062 -15.398 -2.424 1.00 0.00 N ATOM 195 CA LYS A 13 -14.411 -15.741 -2.841 1.00 0.00 C ATOM 196 C LYS A 13 -15.168 -16.346 -1.656 1.00 0.00 C ATOM 197 O LYS A 13 -14.684 -17.276 -1.015 1.00 0.00 O ATOM 198 CB LYS A 13 -14.376 -16.646 -4.075 1.00 0.00 C ATOM 199 CG LYS A 13 -15.707 -16.597 -4.828 1.00 0.00 C ATOM 200 CD LYS A 13 -16.661 -17.683 -4.328 1.00 0.00 C ATOM 201 CE LYS A 13 -18.081 -17.446 -4.847 1.00 0.00 C ATOM 202 NZ LYS A 13 -18.169 -17.779 -6.286 1.00 0.00 N ATOM 0 H LYS A 13 -12.531 -16.170 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.955 -14.847 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.568 -16.334 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.162 -17.671 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.166 -15.617 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.530 -16.727 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.309 -18.661 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.665 -17.695 -3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.787 -18.055 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.363 -16.405 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -19.139 -17.613 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.509 -17.180 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.921 -18.779 -6.427 1.00 0.00 H new ATOM 216 N PRO A 14 -16.376 -15.776 -1.395 1.00 0.00 N ATOM 217 CA PRO A 14 -17.205 -16.249 -0.299 1.00 0.00 C ATOM 218 C PRO A 14 -17.869 -17.581 -0.650 1.00 0.00 C ATOM 219 O PRO A 14 -18.384 -17.751 -1.754 1.00 0.00 O ATOM 220 CB PRO A 14 -18.205 -15.132 -0.053 1.00 0.00 C ATOM 221 CG PRO A 14 -18.201 -14.283 -1.314 1.00 0.00 C ATOM 222 CD PRO A 14 -16.982 -14.672 -2.134 1.00 0.00 C ATOM 0 HA PRO A 14 -16.631 -16.457 0.604 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.199 -15.534 0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.923 -14.540 0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.114 -14.446 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.168 -13.223 -1.061 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.263 -14.977 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.290 -13.836 -2.236 1.00 0.00 H new ATOM 230 N TRP A 15 -17.838 -18.493 0.311 1.00 0.00 N ATOM 231 CA TRP A 15 -18.431 -19.805 0.118 1.00 0.00 C ATOM 232 C TRP A 15 -19.795 -19.614 -0.550 1.00 0.00 C ATOM 233 O TRP A 15 -20.186 -20.404 -1.407 1.00 0.00 O ATOM 234 CB TRP A 15 -18.516 -20.568 1.441 1.00 0.00 C ATOM 235 CG TRP A 15 -17.428 -21.631 1.617 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.587 -21.786 2.648 1.00 0.00 C ATOM 237 CD2 TRP A 15 -17.097 -22.684 0.688 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.741 -22.859 2.453 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.061 -23.422 1.224 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.655 -23.003 -0.562 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.492 -24.526 0.577 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -17.075 -24.109 -1.195 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.031 -24.862 -0.670 1.00 0.00 C ATOM 0 H TRP A 15 -17.411 -18.349 1.226 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.807 -20.418 -0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -18.451 -19.856 2.264 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.493 -21.047 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.573 -21.151 3.522 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -15.015 -23.180 3.093 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.466 -22.440 -0.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.681 -25.088 1.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.466 -24.398 -2.159 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.638 -25.703 -1.222 1.00 0.00 H new ATOM 254 N ASP A 16 -20.480 -18.559 -0.132 1.00 0.00 N ATOM 255 CA ASP A 16 -21.791 -18.254 -0.679 1.00 0.00 C ATOM 256 C ASP A 16 -22.284 -16.925 -0.102 1.00 0.00 C ATOM 257 O ASP A 16 -21.534 -16.223 0.576 1.00 0.00 O ATOM 258 CB ASP A 16 -22.808 -19.336 -0.309 1.00 0.00 C ATOM 259 CG ASP A 16 -23.774 -19.727 -1.429 1.00 0.00 C ATOM 260 OD1 ASP A 16 -23.870 -19.040 -2.457 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.453 -20.801 -1.213 1.00 0.00 O ATOM 0 H ASP A 16 -20.152 -17.905 0.579 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.699 -18.201 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.268 -20.227 0.011 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.388 -18.990 0.546 1.00 0.00 H new ATOM 266 N ASP A 17 -23.539 -16.620 -0.393 1.00 0.00 N ATOM 267 CA ASP A 17 -24.140 -15.387 0.090 1.00 0.00 C ATOM 268 C ASP A 17 -24.189 -15.413 1.618 1.00 0.00 C ATOM 269 O ASP A 17 -24.198 -14.364 2.260 1.00 0.00 O ATOM 270 CB ASP A 17 -25.572 -15.234 -0.427 1.00 0.00 C ATOM 271 CG ASP A 17 -25.829 -13.975 -1.256 1.00 0.00 C ATOM 272 OD1 ASP A 17 -25.455 -12.861 -0.859 1.00 0.00 O ATOM 273 OD2 ASP A 17 -26.450 -14.173 -2.369 1.00 0.00 O ATOM 0 H ASP A 17 -24.157 -17.204 -0.957 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.536 -14.554 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.819 -16.106 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -26.252 -15.235 0.425 1.00 0.00 H new ATOM 278 N GLU A 18 -24.218 -16.622 2.158 1.00 0.00 N ATOM 279 CA GLU A 18 -24.266 -16.798 3.600 1.00 0.00 C ATOM 280 C GLU A 18 -23.037 -16.164 4.253 1.00 0.00 C ATOM 281 O GLU A 18 -23.142 -15.539 5.306 1.00 0.00 O ATOM 282 CB GLU A 18 -24.381 -18.279 3.968 1.00 0.00 C ATOM 283 CG GLU A 18 -23.043 -18.996 3.776 1.00 0.00 C ATOM 284 CD GLU A 18 -23.216 -20.514 3.874 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.871 -21.052 2.902 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.742 -21.130 4.839 1.00 0.00 O ATOM 0 H GLU A 18 -24.209 -17.490 1.623 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.155 -16.294 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.704 -18.376 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -25.144 -18.753 3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.623 -18.736 2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -22.333 -18.658 4.531 1.00 0.00 H new ATOM 293 N THR A 19 -21.898 -16.347 3.599 1.00 0.00 N ATOM 294 CA THR A 19 -20.650 -15.800 4.103 1.00 0.00 C ATOM 295 C THR A 19 -20.812 -14.315 4.431 1.00 0.00 C ATOM 296 O THR A 19 -20.791 -13.471 3.536 1.00 0.00 O ATOM 297 CB THR A 19 -19.560 -16.078 3.066 1.00 0.00 C ATOM 298 OG1 THR A 19 -19.407 -17.495 3.094 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.192 -15.547 3.498 1.00 0.00 C ATOM 0 H THR A 19 -21.814 -16.866 2.725 1.00 0.00 H new ATOM 0 HA THR A 19 -20.358 -16.277 5.039 1.00 0.00 H new ATOM 0 HB THR A 19 -19.841 -15.626 2.115 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.465 -17.725 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.455 -15.771 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.250 -14.468 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.895 -16.023 4.432 1.00 0.00 H new ATOM 307 N ASP A 20 -20.970 -14.040 5.717 1.00 0.00 N ATOM 308 CA ASP A 20 -21.136 -12.670 6.175 1.00 0.00 C ATOM 309 C ASP A 20 -19.993 -11.813 5.628 1.00 0.00 C ATOM 310 O ASP A 20 -18.905 -11.782 6.202 1.00 0.00 O ATOM 311 CB ASP A 20 -21.096 -12.592 7.702 1.00 0.00 C ATOM 312 CG ASP A 20 -22.013 -11.534 8.320 1.00 0.00 C ATOM 313 OD1 ASP A 20 -21.986 -10.358 7.927 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.791 -11.965 9.254 1.00 0.00 O ATOM 0 H ASP A 20 -20.987 -14.742 6.457 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.102 -12.310 5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -21.366 -13.567 8.108 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -20.071 -12.390 8.014 1.00 0.00 H new ATOM 319 N MET A 21 -20.279 -11.137 4.524 1.00 0.00 N ATOM 320 CA MET A 21 -19.289 -10.281 3.893 1.00 0.00 C ATOM 321 C MET A 21 -18.768 -9.230 4.875 1.00 0.00 C ATOM 322 O MET A 21 -17.600 -8.847 4.818 1.00 0.00 O ATOM 323 CB MET A 21 -19.913 -9.585 2.682 1.00 0.00 C ATOM 324 CG MET A 21 -20.316 -10.603 1.613 1.00 0.00 C ATOM 325 SD MET A 21 -20.399 -9.810 0.015 1.00 0.00 S ATOM 326 CE MET A 21 -19.104 -10.694 -0.836 1.00 0.00 C ATOM 0 H MET A 21 -21.182 -11.165 4.051 1.00 0.00 H new ATOM 0 HA MET A 21 -18.450 -10.900 3.574 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.788 -9.016 2.996 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.203 -8.872 2.262 1.00 0.00 H new ATOM 0 HG2 MET A 21 -19.594 -11.419 1.586 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.283 -11.040 1.862 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.442 -9.983 -1.330 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.533 -11.283 -0.118 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.545 -11.357 -1.581 1.00 0.00 H new ATOM 336 N ALA A 22 -19.659 -8.792 5.752 1.00 0.00 N ATOM 337 CA ALA A 22 -19.304 -7.791 6.744 1.00 0.00 C ATOM 338 C ALA A 22 -18.211 -8.350 7.657 1.00 0.00 C ATOM 339 O ALA A 22 -17.307 -7.624 8.066 1.00 0.00 O ATOM 340 CB ALA A 22 -20.556 -7.376 7.520 1.00 0.00 C ATOM 0 H ALA A 22 -20.626 -9.112 5.796 1.00 0.00 H new ATOM 0 HA ALA A 22 -18.907 -6.897 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.291 -6.625 8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.290 -6.960 6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.980 -8.247 8.019 1.00 0.00 H new ATOM 346 N LYS A 23 -18.330 -9.637 7.950 1.00 0.00 N ATOM 347 CA LYS A 23 -17.363 -10.302 8.807 1.00 0.00 C ATOM 348 C LYS A 23 -16.090 -10.587 8.008 1.00 0.00 C ATOM 349 O LYS A 23 -14.989 -10.265 8.452 1.00 0.00 O ATOM 350 CB LYS A 23 -17.981 -11.549 9.444 1.00 0.00 C ATOM 351 CG LYS A 23 -17.446 -11.762 10.862 1.00 0.00 C ATOM 352 CD LYS A 23 -18.559 -11.592 11.898 1.00 0.00 C ATOM 353 CE LYS A 23 -17.981 -11.240 13.271 1.00 0.00 C ATOM 354 NZ LYS A 23 -18.682 -10.070 13.844 1.00 0.00 N ATOM 0 H LYS A 23 -19.081 -10.237 7.609 1.00 0.00 H new ATOM 0 HA LYS A 23 -17.080 -9.654 9.637 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.066 -11.448 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.758 -12.423 8.832 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.015 -12.760 10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -16.645 -11.051 11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.244 -10.808 11.576 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.139 -12.512 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.077 -12.093 13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.916 -11.025 13.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.278 -9.845 14.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.569 -9.253 13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.693 -10.289 13.950 1.00 0.00 H new ATOM 368 N LEU A 24 -16.283 -11.186 6.842 1.00 0.00 N ATOM 369 CA LEU A 24 -15.164 -11.517 5.976 1.00 0.00 C ATOM 370 C LEU A 24 -14.391 -10.240 5.638 1.00 0.00 C ATOM 371 O LEU A 24 -13.166 -10.263 5.525 1.00 0.00 O ATOM 372 CB LEU A 24 -15.647 -12.288 4.746 1.00 0.00 C ATOM 373 CG LEU A 24 -14.875 -13.565 4.408 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.462 -14.249 3.173 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.381 -13.277 4.249 1.00 0.00 C ATOM 0 H LEU A 24 -17.198 -11.451 6.477 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.470 -12.184 6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.695 -12.549 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.603 -11.622 3.884 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.981 -14.259 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.895 -15.154 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.503 -14.510 3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.407 -13.571 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.856 -14.201 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.233 -12.556 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.988 -12.868 5.180 1.00 0.00 H new ATOM 387 N GLU A 25 -15.139 -9.158 5.486 1.00 0.00 N ATOM 388 CA GLU A 25 -14.540 -7.874 5.163 1.00 0.00 C ATOM 389 C GLU A 25 -13.834 -7.293 6.390 1.00 0.00 C ATOM 390 O GLU A 25 -12.618 -7.102 6.380 1.00 0.00 O ATOM 391 CB GLU A 25 -15.588 -6.900 4.622 1.00 0.00 C ATOM 392 CG GLU A 25 -14.924 -5.689 3.964 1.00 0.00 C ATOM 393 CD GLU A 25 -15.485 -4.382 4.527 1.00 0.00 C ATOM 394 OE1 GLU A 25 -16.706 -4.166 4.495 1.00 0.00 O ATOM 395 OE2 GLU A 25 -14.604 -3.575 5.014 1.00 0.00 O ATOM 0 H GLU A 25 -16.155 -9.143 5.580 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.797 -8.029 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.223 -7.409 3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.234 -6.568 5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.847 -5.727 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.084 -5.723 2.886 1.00 0.00 H new ATOM 402 N GLU A 26 -14.626 -7.028 7.419 1.00 0.00 N ATOM 403 CA GLU A 26 -14.094 -6.473 8.651 1.00 0.00 C ATOM 404 C GLU A 26 -12.940 -7.337 9.166 1.00 0.00 C ATOM 405 O GLU A 26 -11.856 -6.826 9.449 1.00 0.00 O ATOM 406 CB GLU A 26 -15.190 -6.335 9.709 1.00 0.00 C ATOM 407 CG GLU A 26 -16.181 -5.233 9.331 1.00 0.00 C ATOM 408 CD GLU A 26 -15.674 -3.861 9.778 1.00 0.00 C ATOM 409 OE1 GLU A 26 -15.521 -3.725 11.052 1.00 0.00 O ATOM 410 OE2 GLU A 26 -15.443 -2.981 8.937 1.00 0.00 O ATOM 0 H GLU A 26 -15.633 -7.188 7.424 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.710 -5.475 8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -15.718 -7.283 9.817 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.741 -6.109 10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.336 -5.233 8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.148 -5.435 9.792 1.00 0.00 H new ATOM 417 N CYS A 27 -13.211 -8.629 9.272 1.00 0.00 N ATOM 418 CA CYS A 27 -12.209 -9.567 9.747 1.00 0.00 C ATOM 419 C CYS A 27 -10.879 -9.238 9.065 1.00 0.00 C ATOM 420 O CYS A 27 -9.868 -9.031 9.734 1.00 0.00 O ATOM 421 CB CYS A 27 -12.631 -11.018 9.504 1.00 0.00 C ATOM 422 SG CYS A 27 -11.283 -12.153 9.997 1.00 0.00 S ATOM 0 H CYS A 27 -14.111 -9.049 9.037 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.097 -9.466 10.827 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.533 -11.243 10.073 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.873 -11.163 8.451 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.652 -13.382 9.789 1.00 0.00 H new ATOM 428 N VAL A 28 -10.924 -9.199 7.741 1.00 0.00 N ATOM 429 CA VAL A 28 -9.736 -8.898 6.961 1.00 0.00 C ATOM 430 C VAL A 28 -9.107 -7.603 7.476 1.00 0.00 C ATOM 431 O VAL A 28 -7.884 -7.489 7.552 1.00 0.00 O ATOM 432 CB VAL A 28 -10.087 -8.842 5.473 1.00 0.00 C ATOM 433 CG1 VAL A 28 -8.981 -8.151 4.673 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.370 -10.241 4.921 1.00 0.00 C ATOM 0 H VAL A 28 -11.764 -9.371 7.189 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.994 -9.688 7.076 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.996 -8.251 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.257 -8.125 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.849 -7.133 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.048 -8.702 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.617 -10.171 3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.487 -10.867 5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.208 -10.682 5.460 1.00 0.00 H new ATOM 444 N ARG A 29 -9.971 -6.659 7.818 1.00 0.00 N ATOM 445 CA ARG A 29 -9.515 -5.375 8.324 1.00 0.00 C ATOM 446 C ARG A 29 -8.930 -5.536 9.729 1.00 0.00 C ATOM 447 O ARG A 29 -7.784 -5.165 9.974 1.00 0.00 O ATOM 448 CB ARG A 29 -10.661 -4.362 8.369 1.00 0.00 C ATOM 449 CG ARG A 29 -10.568 -3.377 7.202 1.00 0.00 C ATOM 450 CD ARG A 29 -11.639 -2.291 7.314 1.00 0.00 C ATOM 451 NE ARG A 29 -11.636 -1.448 6.098 1.00 0.00 N ATOM 452 CZ ARG A 29 -12.224 -0.247 6.015 1.00 0.00 C ATOM 453 NH1 ARG A 29 -12.867 0.259 7.075 1.00 0.00 N ATOM 454 NH2 ARG A 29 -12.170 0.448 4.870 1.00 0.00 N ATOM 0 H ARG A 29 -10.984 -6.757 7.755 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.745 -5.006 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.616 -4.886 8.332 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.633 -3.817 9.313 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.580 -2.918 7.187 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.685 -3.912 6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.619 -2.748 7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.453 -1.675 8.194 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.156 -1.803 5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.909 -0.270 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.314 1.173 7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.681 0.062 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.618 1.362 4.807 1.00 0.00 H new ATOM 468 N SER A 30 -9.745 -6.090 10.614 1.00 0.00 N ATOM 469 CA SER A 30 -9.323 -6.304 11.988 1.00 0.00 C ATOM 470 C SER A 30 -7.926 -6.927 12.015 1.00 0.00 C ATOM 471 O SER A 30 -7.093 -6.555 12.839 1.00 0.00 O ATOM 472 CB SER A 30 -10.316 -7.196 12.736 1.00 0.00 C ATOM 473 OG SER A 30 -10.612 -8.388 12.015 1.00 0.00 O ATOM 0 H SER A 30 -10.695 -6.397 10.407 1.00 0.00 H new ATOM 0 HA SER A 30 -9.293 -5.338 12.491 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.906 -7.455 13.712 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.238 -6.642 12.914 1.00 0.00 H new ATOM 0 HG SER A 30 -9.990 -8.479 11.264 1.00 0.00 H new ATOM 479 N ILE A 31 -7.713 -7.864 11.103 1.00 0.00 N ATOM 480 CA ILE A 31 -6.431 -8.542 11.012 1.00 0.00 C ATOM 481 C ILE A 31 -5.311 -7.501 10.974 1.00 0.00 C ATOM 482 O ILE A 31 -5.361 -6.558 10.185 1.00 0.00 O ATOM 483 CB ILE A 31 -6.417 -9.505 9.823 1.00 0.00 C ATOM 484 CG1 ILE A 31 -7.273 -10.740 10.109 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.985 -9.877 9.435 1.00 0.00 C ATOM 486 CD1 ILE A 31 -7.441 -11.594 8.850 1.00 0.00 C ATOM 0 H ILE A 31 -8.407 -8.170 10.420 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.263 -9.160 11.894 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.860 -8.997 8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.809 -11.334 10.897 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.252 -10.431 10.477 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.004 -10.562 8.588 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.437 -8.976 9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.493 -10.358 10.280 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.053 -12.466 9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.927 -11.004 8.073 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.462 -11.921 8.499 1.00 0.00 H new ATOM 498 N GLN A 32 -4.326 -7.706 11.835 1.00 0.00 N ATOM 499 CA GLN A 32 -3.195 -6.797 11.910 1.00 0.00 C ATOM 500 C GLN A 32 -1.885 -7.585 11.990 1.00 0.00 C ATOM 501 O GLN A 32 -1.896 -8.793 12.218 1.00 0.00 O ATOM 502 CB GLN A 32 -3.334 -5.844 13.098 1.00 0.00 C ATOM 503 CG GLN A 32 -3.026 -4.403 12.684 1.00 0.00 C ATOM 504 CD GLN A 32 -3.276 -3.434 13.841 1.00 0.00 C ATOM 505 OE1 GLN A 32 -2.628 -3.479 14.874 1.00 0.00 O ATOM 506 NE2 GLN A 32 -4.249 -2.557 13.612 1.00 0.00 N ATOM 0 H GLN A 32 -4.287 -8.489 12.487 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.179 -6.193 11.003 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.346 -5.903 13.499 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.657 -6.150 13.895 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.988 -4.328 12.360 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.646 -4.125 11.832 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.752 -2.574 12.725 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.492 -1.868 14.323 1.00 0.00 H new ATOM 515 N ALA A 33 -0.787 -6.867 11.800 1.00 0.00 N ATOM 516 CA ALA A 33 0.527 -7.484 11.848 1.00 0.00 C ATOM 517 C ALA A 33 1.600 -6.397 11.750 1.00 0.00 C ATOM 518 O ALA A 33 1.304 -5.259 11.386 1.00 0.00 O ATOM 519 CB ALA A 33 0.646 -8.523 10.731 1.00 0.00 C ATOM 0 H ALA A 33 -0.781 -5.864 11.613 1.00 0.00 H new ATOM 0 HA ALA A 33 0.671 -8.006 12.794 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.632 -8.985 10.768 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.119 -9.288 10.863 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.509 -8.036 9.765 1.00 0.00 H new ATOM 525 N ASP A 34 2.822 -6.785 12.081 1.00 0.00 N ATOM 526 CA ASP A 34 3.940 -5.857 12.035 1.00 0.00 C ATOM 527 C ASP A 34 4.247 -5.508 10.577 1.00 0.00 C ATOM 528 O ASP A 34 4.225 -6.379 9.708 1.00 0.00 O ATOM 529 CB ASP A 34 5.197 -6.478 12.647 1.00 0.00 C ATOM 530 CG ASP A 34 6.329 -5.492 12.941 1.00 0.00 C ATOM 531 OD1 ASP A 34 7.142 -5.172 12.062 1.00 0.00 O ATOM 532 OD2 ASP A 34 6.357 -5.039 14.149 1.00 0.00 O ATOM 0 H ASP A 34 3.063 -7.729 12.382 1.00 0.00 H new ATOM 0 HA ASP A 34 3.664 -4.968 12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.921 -6.979 13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.571 -7.246 11.970 1.00 0.00 H new ATOM 537 N GLY A 35 4.527 -4.232 10.353 1.00 0.00 N ATOM 538 CA GLY A 35 4.837 -3.758 9.016 1.00 0.00 C ATOM 539 C GLY A 35 3.684 -4.040 8.052 1.00 0.00 C ATOM 540 O GLY A 35 3.853 -3.960 6.836 1.00 0.00 O ATOM 0 H GLY A 35 4.545 -3.512 11.076 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.038 -2.687 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.744 -4.244 8.656 1.00 0.00 H new ATOM 544 N LEU A 36 2.537 -4.363 8.631 1.00 0.00 N ATOM 545 CA LEU A 36 1.355 -4.656 7.838 1.00 0.00 C ATOM 546 C LEU A 36 0.431 -3.437 7.835 1.00 0.00 C ATOM 547 O LEU A 36 0.132 -2.878 8.890 1.00 0.00 O ATOM 548 CB LEU A 36 0.681 -5.937 8.335 1.00 0.00 C ATOM 549 CG LEU A 36 -0.316 -6.587 7.373 1.00 0.00 C ATOM 550 CD1 LEU A 36 0.134 -7.997 6.988 1.00 0.00 C ATOM 551 CD2 LEU A 36 -1.729 -6.576 7.960 1.00 0.00 C ATOM 0 H LEU A 36 2.401 -4.428 9.640 1.00 0.00 H new ATOM 0 HA LEU A 36 1.631 -4.849 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.458 -6.665 8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.163 -5.713 9.267 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.343 -5.997 6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.592 -8.436 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.108 -7.948 6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.207 -8.613 7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.419 -7.043 7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.737 -7.129 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.039 -5.547 8.143 1.00 0.00 H new ATOM 563 N VAL A 37 0.005 -3.059 6.639 1.00 0.00 N ATOM 564 CA VAL A 37 -0.879 -1.916 6.485 1.00 0.00 C ATOM 565 C VAL A 37 -2.074 -2.314 5.619 1.00 0.00 C ATOM 566 O VAL A 37 -1.901 -2.814 4.508 1.00 0.00 O ATOM 567 CB VAL A 37 -0.100 -0.725 5.922 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.047 0.303 5.300 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.776 -0.083 6.999 1.00 0.00 C ATOM 0 H VAL A 37 0.256 -3.524 5.767 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.271 -1.602 7.452 1.00 0.00 H new ATOM 0 HB VAL A 37 0.557 -1.096 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.469 1.139 4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.608 -0.163 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.740 0.666 6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.318 0.760 6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.148 0.267 7.818 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.487 -0.818 7.376 1.00 0.00 H new ATOM 579 N TRP A 38 -3.261 -2.076 6.158 1.00 0.00 N ATOM 580 CA TRP A 38 -4.485 -2.404 5.447 1.00 0.00 C ATOM 581 C TRP A 38 -4.902 -1.176 4.634 1.00 0.00 C ATOM 582 O TRP A 38 -5.046 -0.085 5.181 1.00 0.00 O ATOM 583 CB TRP A 38 -5.571 -2.877 6.414 1.00 0.00 C ATOM 584 CG TRP A 38 -5.558 -4.384 6.677 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.403 -5.017 7.847 1.00 0.00 C ATOM 586 CD2 TRP A 38 -5.714 -5.430 5.693 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.446 -6.388 7.691 1.00 0.00 N ATOM 588 CE2 TRP A 38 -5.641 -6.646 6.339 1.00 0.00 C ATOM 589 CE3 TRP A 38 -5.908 -5.348 4.302 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -5.755 -7.875 5.677 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -6.019 -6.584 3.655 1.00 0.00 C ATOM 592 CH2 TRP A 38 -5.949 -7.819 4.291 1.00 0.00 C ATOM 0 H TRP A 38 -3.401 -1.660 7.079 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.322 -3.237 4.763 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.452 -2.352 7.362 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.546 -2.597 6.014 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.262 -4.517 8.794 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.352 -7.083 8.431 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.967 -4.407 3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -5.697 -8.815 6.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.170 -6.578 2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.044 -8.730 3.719 1.00 0.00 H new ATOM 603 N GLY A 39 -5.084 -1.398 3.340 1.00 0.00 N ATOM 604 CA GLY A 39 -5.481 -0.323 2.445 1.00 0.00 C ATOM 605 C GLY A 39 -6.999 -0.300 2.258 1.00 0.00 C ATOM 606 O GLY A 39 -7.749 -0.551 3.199 1.00 0.00 O ATOM 0 H GLY A 39 -4.964 -2.306 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.146 0.633 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.994 -0.451 1.478 1.00 0.00 H new ATOM 610 N SER A 40 -7.407 0.003 1.034 1.00 0.00 N ATOM 611 CA SER A 40 -8.822 0.062 0.710 1.00 0.00 C ATOM 612 C SER A 40 -9.225 -1.168 -0.105 1.00 0.00 C ATOM 613 O SER A 40 -8.612 -1.466 -1.129 1.00 0.00 O ATOM 614 CB SER A 40 -9.158 1.342 -0.058 1.00 0.00 C ATOM 615 OG SER A 40 -9.834 2.294 0.758 1.00 0.00 O ATOM 0 H SER A 40 -6.782 0.210 0.255 1.00 0.00 H new ATOM 0 HA SER A 40 -9.386 0.071 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.240 1.784 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.780 1.095 -0.918 1.00 0.00 H new ATOM 0 HG SER A 40 -10.029 3.097 0.231 1.00 0.00 H new ATOM 621 N SER A 41 -10.253 -1.850 0.379 1.00 0.00 N ATOM 622 CA SER A 41 -10.743 -3.041 -0.292 1.00 0.00 C ATOM 623 C SER A 41 -11.723 -2.651 -1.401 1.00 0.00 C ATOM 624 O SER A 41 -12.146 -1.499 -1.484 1.00 0.00 O ATOM 625 CB SER A 41 -11.415 -3.995 0.698 1.00 0.00 C ATOM 626 OG SER A 41 -12.513 -3.381 1.369 1.00 0.00 O ATOM 0 H SER A 41 -10.760 -1.600 1.228 1.00 0.00 H new ATOM 0 HA SER A 41 -9.892 -3.559 -0.733 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.764 -4.881 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.683 -4.330 1.432 1.00 0.00 H new ATOM 0 HG SER A 41 -12.916 -4.022 1.991 1.00 0.00 H new ATOM 632 N LYS A 42 -12.055 -3.633 -2.226 1.00 0.00 N ATOM 633 CA LYS A 42 -12.977 -3.407 -3.326 1.00 0.00 C ATOM 634 C LYS A 42 -14.025 -4.522 -3.345 1.00 0.00 C ATOM 635 O LYS A 42 -13.793 -5.606 -2.813 1.00 0.00 O ATOM 636 CB LYS A 42 -12.213 -3.257 -4.643 1.00 0.00 C ATOM 637 CG LYS A 42 -10.915 -2.475 -4.438 1.00 0.00 C ATOM 638 CD LYS A 42 -10.326 -2.029 -5.778 1.00 0.00 C ATOM 639 CE LYS A 42 -11.214 -0.977 -6.444 1.00 0.00 C ATOM 640 NZ LYS A 42 -10.599 0.365 -6.333 1.00 0.00 N ATOM 0 H LYS A 42 -11.702 -4.587 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.513 -2.468 -3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.987 -4.242 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.839 -2.745 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.107 -1.603 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.192 -3.095 -3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.327 -1.621 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.220 -2.890 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.363 -1.230 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.198 -0.973 -5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.214 1.068 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.479 0.610 -5.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.670 0.361 -6.801 1.00 0.00 H new ATOM 654 N LEU A 43 -15.155 -4.217 -3.966 1.00 0.00 N ATOM 655 CA LEU A 43 -16.239 -5.180 -4.062 1.00 0.00 C ATOM 656 C LEU A 43 -16.579 -5.414 -5.535 1.00 0.00 C ATOM 657 O LEU A 43 -16.422 -4.517 -6.362 1.00 0.00 O ATOM 658 CB LEU A 43 -17.433 -4.729 -3.219 1.00 0.00 C ATOM 659 CG LEU A 43 -17.525 -5.322 -1.812 1.00 0.00 C ATOM 660 CD1 LEU A 43 -17.416 -6.848 -1.853 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.479 -4.699 -0.885 1.00 0.00 C ATOM 0 H LEU A 43 -15.343 -3.317 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.932 -6.141 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.401 -3.643 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -18.347 -4.979 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 43 -18.505 -5.079 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.484 -7.245 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.227 -7.255 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.459 -7.133 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.566 -5.138 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.482 -4.891 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.643 -3.623 -0.822 1.00 0.00 H new ATOM 673 N VAL A 44 -17.038 -6.624 -5.819 1.00 0.00 N ATOM 674 CA VAL A 44 -17.402 -6.986 -7.179 1.00 0.00 C ATOM 675 C VAL A 44 -18.428 -8.121 -7.142 1.00 0.00 C ATOM 676 O VAL A 44 -18.127 -9.219 -6.676 1.00 0.00 O ATOM 677 CB VAL A 44 -16.147 -7.340 -7.979 1.00 0.00 C ATOM 678 CG1 VAL A 44 -16.514 -7.926 -9.344 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.234 -6.121 -8.134 1.00 0.00 C ATOM 0 H VAL A 44 -17.166 -7.366 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 44 -17.868 -6.142 -7.688 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.599 -8.101 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.604 -8.169 -9.892 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.106 -8.831 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.094 -7.196 -9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.349 -6.400 -8.706 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -15.770 -5.329 -8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -14.932 -5.765 -7.149 1.00 0.00 H new ATOM 689 N PRO A 45 -19.648 -7.810 -7.654 1.00 0.00 N ATOM 690 CA PRO A 45 -20.719 -8.791 -7.684 1.00 0.00 C ATOM 691 C PRO A 45 -20.484 -9.827 -8.785 1.00 0.00 C ATOM 692 O PRO A 45 -20.033 -9.485 -9.878 1.00 0.00 O ATOM 693 CB PRO A 45 -21.989 -7.981 -7.892 1.00 0.00 C ATOM 694 CG PRO A 45 -21.540 -6.634 -8.434 1.00 0.00 C ATOM 695 CD PRO A 45 -20.040 -6.520 -8.215 1.00 0.00 C ATOM 0 HA PRO A 45 -20.780 -9.374 -6.765 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.660 -8.479 -8.592 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.535 -7.863 -6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.778 -6.550 -9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.063 -5.824 -7.925 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -19.517 -6.320 -9.150 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.800 -5.703 -7.535 1.00 0.00 H new ATOM 703 N VAL A 46 -20.798 -11.072 -8.460 1.00 0.00 N ATOM 704 CA VAL A 46 -20.626 -12.159 -9.409 1.00 0.00 C ATOM 705 C VAL A 46 -21.820 -13.110 -9.309 1.00 0.00 C ATOM 706 O VAL A 46 -22.725 -12.894 -8.505 1.00 0.00 O ATOM 707 CB VAL A 46 -19.285 -12.857 -9.167 1.00 0.00 C ATOM 708 CG1 VAL A 46 -19.360 -13.784 -7.952 1.00 0.00 C ATOM 709 CG2 VAL A 46 -18.833 -13.621 -10.412 1.00 0.00 C ATOM 0 H VAL A 46 -21.171 -11.353 -7.553 1.00 0.00 H new ATOM 0 HA VAL A 46 -20.599 -11.775 -10.429 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.541 -12.089 -8.956 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -18.394 -14.267 -7.803 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -19.616 -13.203 -7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.123 -14.544 -8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -17.878 -14.108 -10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.578 -14.375 -10.667 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -18.720 -12.926 -11.244 1.00 0.00 H new ATOM 719 N GLY A 47 -21.785 -14.143 -10.139 1.00 0.00 N ATOM 720 CA GLY A 47 -22.853 -15.127 -10.156 1.00 0.00 C ATOM 721 C GLY A 47 -24.217 -14.459 -9.970 1.00 0.00 C ATOM 722 O GLY A 47 -24.593 -13.581 -10.745 1.00 0.00 O ATOM 0 H GLY A 47 -21.033 -14.319 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -22.836 -15.671 -11.100 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -22.691 -15.858 -9.364 1.00 0.00 H new ATOM 726 N TYR A 48 -24.920 -14.900 -8.936 1.00 0.00 N ATOM 727 CA TYR A 48 -26.234 -14.357 -8.640 1.00 0.00 C ATOM 728 C TYR A 48 -26.480 -14.311 -7.129 1.00 0.00 C ATOM 729 O TYR A 48 -26.732 -15.341 -6.506 1.00 0.00 O ATOM 730 CB TYR A 48 -27.242 -15.314 -9.279 1.00 0.00 C ATOM 731 CG TYR A 48 -27.235 -16.720 -8.674 1.00 0.00 C ATOM 732 CD1 TYR A 48 -26.203 -17.590 -8.964 1.00 0.00 C ATOM 733 CD2 TYR A 48 -28.259 -17.118 -7.839 1.00 0.00 C ATOM 734 CE1 TYR A 48 -26.197 -18.913 -8.395 1.00 0.00 C ATOM 735 CE2 TYR A 48 -28.252 -18.440 -7.271 1.00 0.00 C ATOM 736 CZ TYR A 48 -27.221 -19.272 -7.577 1.00 0.00 C ATOM 737 OH TYR A 48 -27.215 -20.522 -7.040 1.00 0.00 O ATOM 0 H TYR A 48 -24.604 -15.627 -8.294 1.00 0.00 H new ATOM 0 HA TYR A 48 -26.323 -13.340 -9.023 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -28.242 -14.892 -9.180 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -27.032 -15.388 -10.346 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -25.401 -17.279 -9.617 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -29.066 -16.437 -7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -25.397 -19.604 -8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -29.048 -18.764 -6.616 1.00 0.00 H new ATOM 0 HH TYR A 48 -28.007 -20.639 -6.475 1.00 0.00 H new ATOM 747 N GLY A 49 -26.396 -13.105 -6.585 1.00 0.00 N ATOM 748 CA GLY A 49 -26.607 -12.912 -5.161 1.00 0.00 C ATOM 749 C GLY A 49 -25.275 -12.906 -4.407 1.00 0.00 C ATOM 750 O GLY A 49 -25.166 -12.308 -3.337 1.00 0.00 O ATOM 0 H GLY A 49 -26.185 -12.253 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -27.130 -11.971 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.245 -13.706 -4.773 1.00 0.00 H new ATOM 754 N ILE A 50 -24.296 -13.579 -4.993 1.00 0.00 N ATOM 755 CA ILE A 50 -22.977 -13.659 -4.390 1.00 0.00 C ATOM 756 C ILE A 50 -22.144 -12.455 -4.832 1.00 0.00 C ATOM 757 O ILE A 50 -22.474 -11.796 -5.818 1.00 0.00 O ATOM 758 CB ILE A 50 -22.325 -15.007 -4.704 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.990 -16.136 -3.915 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.814 -14.954 -4.467 1.00 0.00 C ATOM 761 CD1 ILE A 50 -24.204 -16.688 -4.664 1.00 0.00 C ATOM 0 H ILE A 50 -24.390 -14.074 -5.880 1.00 0.00 H new ATOM 0 HA ILE A 50 -23.052 -13.613 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.478 -15.221 -5.762 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.270 -16.936 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.299 -15.768 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.375 -15.925 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.371 -14.194 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.618 -14.706 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -24.658 -17.489 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -24.932 -15.891 -4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -23.888 -17.078 -5.632 1.00 0.00 H new ATOM 773 N LYS A 51 -21.080 -12.203 -4.085 1.00 0.00 N ATOM 774 CA LYS A 51 -20.197 -11.090 -4.388 1.00 0.00 C ATOM 775 C LYS A 51 -18.745 -11.525 -4.180 1.00 0.00 C ATOM 776 O LYS A 51 -18.484 -12.566 -3.581 1.00 0.00 O ATOM 777 CB LYS A 51 -20.592 -9.856 -3.574 1.00 0.00 C ATOM 778 CG LYS A 51 -21.839 -9.189 -4.158 1.00 0.00 C ATOM 779 CD LYS A 51 -23.004 -9.239 -3.168 1.00 0.00 C ATOM 780 CE LYS A 51 -23.032 -7.984 -2.292 1.00 0.00 C ATOM 781 NZ LYS A 51 -23.822 -8.228 -1.065 1.00 0.00 N ATOM 0 H LYS A 51 -20.809 -12.752 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.296 -10.799 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.780 -10.143 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.766 -9.144 -3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.616 -8.152 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.123 -9.689 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -23.945 -9.329 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.914 -10.124 -2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.015 -7.696 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.463 -7.153 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.831 -7.367 -0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.797 -8.481 -1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.394 -9.007 -0.526 1.00 0.00 H new ATOM 795 N LYS A 52 -17.837 -10.705 -4.688 1.00 0.00 N ATOM 796 CA LYS A 52 -16.418 -10.991 -4.567 1.00 0.00 C ATOM 797 C LYS A 52 -15.870 -10.309 -3.311 1.00 0.00 C ATOM 798 O LYS A 52 -16.258 -9.186 -2.991 1.00 0.00 O ATOM 799 CB LYS A 52 -15.680 -10.601 -5.850 1.00 0.00 C ATOM 800 CG LYS A 52 -14.167 -10.572 -5.625 1.00 0.00 C ATOM 801 CD LYS A 52 -13.432 -11.309 -6.746 1.00 0.00 C ATOM 802 CE LYS A 52 -13.530 -10.538 -8.064 1.00 0.00 C ATOM 803 NZ LYS A 52 -13.949 -11.439 -9.161 1.00 0.00 N ATOM 0 H LYS A 52 -18.057 -9.842 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.255 -12.062 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.920 -11.311 -6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.020 -9.621 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.823 -9.539 -5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.929 -11.032 -4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.385 -11.440 -6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.856 -12.305 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.245 -9.722 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.566 -10.089 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.011 -10.900 -10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.252 -12.203 -9.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.879 -11.847 -8.939 1.00 0.00 H new ATOM 817 N LEU A 53 -14.977 -11.017 -2.634 1.00 0.00 N ATOM 818 CA LEU A 53 -14.372 -10.494 -1.421 1.00 0.00 C ATOM 819 C LEU A 53 -12.952 -10.017 -1.729 1.00 0.00 C ATOM 820 O LEU A 53 -11.979 -10.644 -1.315 1.00 0.00 O ATOM 821 CB LEU A 53 -14.443 -11.531 -0.298 1.00 0.00 C ATOM 822 CG LEU A 53 -15.040 -11.047 1.025 1.00 0.00 C ATOM 823 CD1 LEU A 53 -14.016 -10.244 1.829 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.329 -10.258 0.788 1.00 0.00 C ATOM 0 H LEU A 53 -14.658 -11.948 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.928 -9.628 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.030 -12.379 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.435 -11.899 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.302 -11.921 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.467 -9.912 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.151 -10.871 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.699 -9.376 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.733 -9.925 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.115 -9.391 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -17.059 -10.895 0.288 1.00 0.00 H new ATOM 836 N GLN A 54 -12.879 -8.909 -2.454 1.00 0.00 N ATOM 837 CA GLN A 54 -11.593 -8.341 -2.822 1.00 0.00 C ATOM 838 C GLN A 54 -11.171 -7.278 -1.805 1.00 0.00 C ATOM 839 O GLN A 54 -11.999 -6.497 -1.338 1.00 0.00 O ATOM 840 CB GLN A 54 -11.636 -7.758 -4.237 1.00 0.00 C ATOM 841 CG GLN A 54 -10.385 -6.928 -4.526 1.00 0.00 C ATOM 842 CD GLN A 54 -9.809 -7.267 -5.903 1.00 0.00 C ATOM 843 OE1 GLN A 54 -8.977 -8.146 -6.057 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.296 -6.522 -6.891 1.00 0.00 N ATOM 0 H GLN A 54 -13.688 -8.391 -2.796 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.850 -9.139 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.717 -8.566 -4.965 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.524 -7.136 -4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.630 -5.867 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.635 -7.115 -3.758 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.991 -5.803 -6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.974 -6.670 -7.848 1.00 0.00 H new ATOM 853 N ILE A 55 -9.885 -7.284 -1.491 1.00 0.00 N ATOM 854 CA ILE A 55 -9.343 -6.331 -0.537 1.00 0.00 C ATOM 855 C ILE A 55 -7.931 -5.931 -0.968 1.00 0.00 C ATOM 856 O ILE A 55 -7.336 -6.574 -1.832 1.00 0.00 O ATOM 857 CB ILE A 55 -9.414 -6.895 0.884 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.185 -7.751 1.197 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.719 -7.665 1.104 1.00 0.00 C ATOM 860 CD1 ILE A 55 -8.430 -9.217 0.832 1.00 0.00 C ATOM 0 H ILE A 55 -9.202 -7.934 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.944 -5.422 -0.525 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.411 -6.059 1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.324 -7.374 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.943 -7.672 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.744 -8.055 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.566 -6.996 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.777 -8.492 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.541 -9.803 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.276 -9.598 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.648 -9.295 -0.233 1.00 0.00 H new ATOM 872 N GLN A 56 -7.436 -4.870 -0.348 1.00 0.00 N ATOM 873 CA GLN A 56 -6.104 -4.376 -0.658 1.00 0.00 C ATOM 874 C GLN A 56 -5.296 -4.188 0.628 1.00 0.00 C ATOM 875 O GLN A 56 -5.846 -3.813 1.662 1.00 0.00 O ATOM 876 CB GLN A 56 -6.176 -3.073 -1.456 1.00 0.00 C ATOM 877 CG GLN A 56 -4.790 -2.656 -1.950 1.00 0.00 C ATOM 878 CD GLN A 56 -4.892 -1.550 -3.002 1.00 0.00 C ATOM 879 OE1 GLN A 56 -4.712 -1.767 -4.189 1.00 0.00 O ATOM 880 NE2 GLN A 56 -5.190 -0.354 -2.502 1.00 0.00 N ATOM 0 H GLN A 56 -7.933 -4.339 0.367 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.597 -5.116 -1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.846 -3.200 -2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.597 -2.284 -0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.190 -2.309 -1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.276 -3.519 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.328 -0.241 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.280 0.450 -3.123 1.00 0.00 H new ATOM 889 N CYS A 57 -4.004 -4.458 0.520 1.00 0.00 N ATOM 890 CA CYS A 57 -3.114 -4.323 1.661 1.00 0.00 C ATOM 891 C CYS A 57 -1.836 -3.622 1.194 1.00 0.00 C ATOM 892 O CYS A 57 -1.562 -3.558 -0.003 1.00 0.00 O ATOM 893 CB CYS A 57 -2.817 -5.677 2.309 1.00 0.00 C ATOM 894 SG CYS A 57 -2.661 -6.967 1.021 1.00 0.00 S ATOM 0 H CYS A 57 -3.552 -4.770 -0.340 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.596 -3.722 2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.896 -5.618 2.889 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.615 -5.940 3.004 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.927 -6.453 -0.143 1.00 0.00 H new ATOM 900 N VAL A 58 -1.089 -3.115 2.164 1.00 0.00 N ATOM 901 CA VAL A 58 0.152 -2.421 1.867 1.00 0.00 C ATOM 902 C VAL A 58 1.292 -3.063 2.661 1.00 0.00 C ATOM 903 O VAL A 58 1.641 -2.593 3.743 1.00 0.00 O ATOM 904 CB VAL A 58 -0.005 -0.925 2.148 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.283 -0.167 1.817 1.00 0.00 C ATOM 906 CG2 VAL A 58 -1.194 -0.345 1.382 1.00 0.00 C ATOM 0 H VAL A 58 -1.320 -3.171 3.156 1.00 0.00 H new ATOM 0 HA VAL A 58 0.399 -2.515 0.810 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.202 -0.803 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.145 0.894 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.100 -0.553 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.523 -0.301 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.283 0.719 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.041 -0.485 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.107 -0.855 1.687 1.00 0.00 H new ATOM 916 N VAL A 59 1.841 -4.126 2.092 1.00 0.00 N ATOM 917 CA VAL A 59 2.936 -4.836 2.732 1.00 0.00 C ATOM 918 C VAL A 59 4.258 -4.150 2.383 1.00 0.00 C ATOM 919 O VAL A 59 4.281 -3.201 1.602 1.00 0.00 O ATOM 920 CB VAL A 59 2.904 -6.314 2.334 1.00 0.00 C ATOM 921 CG1 VAL A 59 1.480 -6.868 2.397 1.00 0.00 C ATOM 922 CG2 VAL A 59 3.512 -6.519 0.945 1.00 0.00 C ATOM 0 H VAL A 59 1.548 -4.513 1.195 1.00 0.00 H new ATOM 0 HA VAL A 59 2.831 -4.803 3.816 1.00 0.00 H new ATOM 0 HB VAL A 59 3.510 -6.868 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.486 -7.919 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.097 -6.772 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.841 -6.308 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.478 -7.577 0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.944 -5.947 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.548 -6.180 0.948 1.00 0.00 H new ATOM 932 N GLU A 60 5.326 -4.658 2.978 1.00 0.00 N ATOM 933 CA GLU A 60 6.649 -4.107 2.739 1.00 0.00 C ATOM 934 C GLU A 60 7.248 -4.697 1.461 1.00 0.00 C ATOM 935 O GLU A 60 6.571 -5.420 0.731 1.00 0.00 O ATOM 936 CB GLU A 60 7.569 -4.350 3.938 1.00 0.00 C ATOM 937 CG GLU A 60 8.067 -3.027 4.523 1.00 0.00 C ATOM 938 CD GLU A 60 9.419 -2.636 3.922 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.909 -3.314 3.007 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.962 -1.586 4.437 1.00 0.00 O ATOM 0 H GLU A 60 5.303 -5.446 3.626 1.00 0.00 H new ATOM 0 HA GLU A 60 6.553 -3.029 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.034 -4.912 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.419 -4.959 3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.337 -2.241 4.328 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.158 -3.115 5.606 1.00 0.00 H new ATOM 947 N ASP A 61 8.509 -4.365 1.228 1.00 0.00 N ATOM 948 CA ASP A 61 9.206 -4.853 0.050 1.00 0.00 C ATOM 949 C ASP A 61 9.560 -6.328 0.247 1.00 0.00 C ATOM 950 O ASP A 61 9.087 -7.188 -0.495 1.00 0.00 O ATOM 951 CB ASP A 61 10.507 -4.081 -0.179 1.00 0.00 C ATOM 952 CG ASP A 61 10.828 -3.775 -1.643 1.00 0.00 C ATOM 953 OD1 ASP A 61 11.334 -4.759 -2.307 1.00 0.00 O ATOM 954 OD2 ASP A 61 10.605 -2.655 -2.125 1.00 0.00 O ATOM 0 H ASP A 61 9.066 -3.764 1.835 1.00 0.00 H new ATOM 0 HA ASP A 61 8.550 -4.718 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.455 -3.141 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.331 -4.654 0.246 1.00 0.00 H new ATOM 959 N ASP A 62 10.389 -6.576 1.250 1.00 0.00 N ATOM 960 CA ASP A 62 10.812 -7.932 1.554 1.00 0.00 C ATOM 961 C ASP A 62 10.666 -8.184 3.056 1.00 0.00 C ATOM 962 O ASP A 62 11.253 -9.123 3.592 1.00 0.00 O ATOM 963 CB ASP A 62 12.279 -8.150 1.179 1.00 0.00 C ATOM 964 CG ASP A 62 12.620 -9.558 0.689 1.00 0.00 C ATOM 965 OD1 ASP A 62 12.305 -10.558 1.351 1.00 0.00 O ATOM 966 OD2 ASP A 62 13.246 -9.607 -0.438 1.00 0.00 O ATOM 0 H ASP A 62 10.779 -5.860 1.863 1.00 0.00 H new ATOM 0 HA ASP A 62 10.187 -8.615 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.549 -7.436 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.898 -7.924 2.048 1.00 0.00 H new ATOM 971 N LYS A 63 9.881 -7.328 3.693 1.00 0.00 N ATOM 972 CA LYS A 63 9.651 -7.445 5.123 1.00 0.00 C ATOM 973 C LYS A 63 8.516 -8.440 5.374 1.00 0.00 C ATOM 974 O LYS A 63 8.722 -9.476 6.003 1.00 0.00 O ATOM 975 CB LYS A 63 9.407 -6.067 5.741 1.00 0.00 C ATOM 976 CG LYS A 63 10.123 -5.934 7.086 1.00 0.00 C ATOM 977 CD LYS A 63 10.000 -4.511 7.636 1.00 0.00 C ATOM 978 CE LYS A 63 9.110 -4.480 8.880 1.00 0.00 C ATOM 979 NZ LYS A 63 9.519 -3.381 9.782 1.00 0.00 N ATOM 0 H LYS A 63 9.396 -6.550 3.245 1.00 0.00 H new ATOM 0 HA LYS A 63 10.537 -7.840 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.758 -5.292 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.337 -5.910 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.699 -6.641 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.175 -6.192 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.989 -4.126 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.584 -3.856 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.069 -4.349 8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.175 -5.433 9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.905 -3.374 10.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.506 -3.523 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.434 -2.472 9.283 1.00 0.00 H new ATOM 993 N VAL A 64 7.343 -8.091 4.866 1.00 0.00 N ATOM 994 CA VAL A 64 6.176 -8.941 5.026 1.00 0.00 C ATOM 995 C VAL A 64 5.441 -9.050 3.688 1.00 0.00 C ATOM 996 O VAL A 64 5.421 -8.098 2.909 1.00 0.00 O ATOM 997 CB VAL A 64 5.289 -8.406 6.153 1.00 0.00 C ATOM 998 CG1 VAL A 64 4.546 -7.143 5.713 1.00 0.00 C ATOM 999 CG2 VAL A 64 4.311 -9.478 6.637 1.00 0.00 C ATOM 0 H VAL A 64 7.176 -7.231 4.343 1.00 0.00 H new ATOM 0 HA VAL A 64 6.475 -9.948 5.316 1.00 0.00 H new ATOM 0 HB VAL A 64 5.934 -8.140 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.923 -6.783 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.267 -6.373 5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.917 -7.372 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.693 -9.072 7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.674 -9.790 5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.868 -10.338 7.009 1.00 0.00 H new ATOM 1009 N GLY A 65 4.855 -10.216 3.464 1.00 0.00 N ATOM 1010 CA GLY A 65 4.122 -10.461 2.233 1.00 0.00 C ATOM 1011 C GLY A 65 2.758 -11.090 2.524 1.00 0.00 C ATOM 1012 O GLY A 65 2.381 -11.254 3.684 1.00 0.00 O ATOM 0 H GLY A 65 4.872 -11.002 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.987 -9.524 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.700 -11.121 1.586 1.00 0.00 H new ATOM 1016 N THR A 66 2.055 -11.425 1.452 1.00 0.00 N ATOM 1017 CA THR A 66 0.741 -12.033 1.578 1.00 0.00 C ATOM 1018 C THR A 66 0.868 -13.485 2.040 1.00 0.00 C ATOM 1019 O THR A 66 0.396 -14.399 1.364 1.00 0.00 O ATOM 1020 CB THR A 66 0.021 -11.882 0.237 1.00 0.00 C ATOM 1021 OG1 THR A 66 -0.353 -10.507 0.196 1.00 0.00 O ATOM 1022 CG2 THR A 66 -1.312 -12.631 0.201 1.00 0.00 C ATOM 0 H THR A 66 2.371 -11.287 0.492 1.00 0.00 H new ATOM 0 HA THR A 66 0.145 -11.534 2.342 1.00 0.00 H new ATOM 0 HB THR A 66 0.665 -12.247 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.527 -10.243 -0.732 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.782 -12.491 -0.773 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.137 -13.693 0.370 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.969 -12.243 0.980 1.00 0.00 H new ATOM 1030 N ASP A 67 1.508 -13.655 3.187 1.00 0.00 N ATOM 1031 CA ASP A 67 1.703 -14.981 3.747 1.00 0.00 C ATOM 1032 C ASP A 67 0.864 -15.122 5.019 1.00 0.00 C ATOM 1033 O ASP A 67 -0.029 -15.966 5.088 1.00 0.00 O ATOM 1034 CB ASP A 67 3.168 -15.212 4.120 1.00 0.00 C ATOM 1035 CG ASP A 67 3.885 -13.996 4.708 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.092 -12.983 4.022 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.244 -14.117 5.941 1.00 0.00 O ATOM 0 H ASP A 67 1.899 -12.895 3.744 1.00 0.00 H new ATOM 0 HA ASP A 67 1.403 -15.711 2.995 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.219 -16.029 4.840 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.707 -15.537 3.230 1.00 0.00 H new ATOM 1042 N MET A 68 1.180 -14.283 5.993 1.00 0.00 N ATOM 1043 CA MET A 68 0.466 -14.303 7.259 1.00 0.00 C ATOM 1044 C MET A 68 -1.000 -13.911 7.068 1.00 0.00 C ATOM 1045 O MET A 68 -1.892 -14.526 7.650 1.00 0.00 O ATOM 1046 CB MET A 68 1.131 -13.330 8.236 1.00 0.00 C ATOM 1047 CG MET A 68 1.171 -13.914 9.649 1.00 0.00 C ATOM 1048 SD MET A 68 -0.484 -14.299 10.197 1.00 0.00 S ATOM 1049 CE MET A 68 -1.147 -12.651 10.362 1.00 0.00 C ATOM 0 H MET A 68 1.921 -13.585 5.932 1.00 0.00 H new ATOM 0 HA MET A 68 0.503 -15.316 7.659 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.144 -13.109 7.901 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.585 -12.387 8.244 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.786 -14.814 9.662 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.633 -13.202 10.333 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.928 -12.647 11.122 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.351 -11.966 10.656 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.567 -12.331 9.409 1.00 0.00 H new ATOM 1059 N LEU A 69 -1.204 -12.888 6.250 1.00 0.00 N ATOM 1060 CA LEU A 69 -2.547 -12.407 5.974 1.00 0.00 C ATOM 1061 C LEU A 69 -3.385 -13.549 5.397 1.00 0.00 C ATOM 1062 O LEU A 69 -4.536 -13.740 5.789 1.00 0.00 O ATOM 1063 CB LEU A 69 -2.499 -11.167 5.080 1.00 0.00 C ATOM 1064 CG LEU A 69 -2.118 -9.857 5.771 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -2.380 -8.658 4.857 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.831 -9.718 7.117 1.00 0.00 C ATOM 0 H LEU A 69 -0.462 -12.379 5.770 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.034 -12.088 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.787 -11.351 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.477 -11.039 4.617 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.048 -9.879 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.101 -7.739 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.788 -8.758 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.438 -8.622 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.542 -8.778 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.910 -9.729 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.550 -10.548 7.765 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.776 -14.280 4.475 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.452 -15.399 3.840 1.00 0.00 C ATOM 1080 C GLU A 70 -3.817 -16.459 4.881 1.00 0.00 C ATOM 1081 O GLU A 70 -4.986 -16.812 5.030 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.592 -15.998 2.726 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.283 -17.205 2.087 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.276 -18.086 1.346 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.328 -18.597 1.962 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.504 -18.232 0.085 1.00 0.00 O ATOM 0 H GLU A 70 -1.822 -14.119 4.152 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.372 -15.032 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.397 -15.242 1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.626 -16.300 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.786 -17.790 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.052 -16.863 1.394 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.795 -16.938 5.575 1.00 0.00 N ATOM 1094 CA GLU A 71 -2.993 -17.951 6.598 1.00 0.00 C ATOM 1095 C GLU A 71 -3.978 -17.451 7.656 1.00 0.00 C ATOM 1096 O GLU A 71 -4.477 -18.233 8.463 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.662 -18.353 7.235 1.00 0.00 C ATOM 1098 CG GLU A 71 -1.049 -19.555 6.514 1.00 0.00 C ATOM 1099 CD GLU A 71 -1.594 -20.869 7.077 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -2.753 -21.222 6.817 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -0.765 -21.534 7.808 1.00 0.00 O ATOM 0 H GLU A 71 -1.827 -16.643 5.449 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.416 -18.838 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.970 -17.512 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.817 -18.595 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.267 -19.494 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.036 -19.532 6.619 1.00 0.00 H new ATOM 1108 N GLN A 72 -4.230 -16.151 7.617 1.00 0.00 N ATOM 1109 CA GLN A 72 -5.148 -15.538 8.562 1.00 0.00 C ATOM 1110 C GLN A 72 -6.534 -15.386 7.934 1.00 0.00 C ATOM 1111 O GLN A 72 -7.538 -15.753 8.542 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.615 -14.188 9.046 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.454 -13.652 10.208 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.981 -14.235 11.541 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -5.243 -15.378 11.875 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -4.273 -13.388 12.281 1.00 0.00 N ATOM 0 H GLN A 72 -3.814 -15.505 6.946 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.234 -16.191 9.430 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.577 -14.295 9.361 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.627 -13.472 8.224 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.387 -12.565 10.238 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.503 -13.902 10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.090 -12.444 11.941 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.913 -13.682 13.189 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.545 -14.846 6.725 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.792 -14.642 6.007 1.00 0.00 C ATOM 1127 C ILE A 73 -8.324 -15.993 5.524 1.00 0.00 C ATOM 1128 O ILE A 73 -9.472 -16.343 5.791 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.604 -13.619 4.885 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.950 -12.341 5.414 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.929 -13.333 4.176 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -6.077 -11.687 4.340 1.00 0.00 C ATOM 0 H ILE A 73 -5.710 -14.543 6.224 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.547 -14.219 6.669 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.928 -14.045 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.720 -11.641 5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.343 -12.574 6.289 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.767 -12.603 3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.318 -14.256 3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.647 -12.936 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.624 -10.781 4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.293 -12.381 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.692 -11.433 3.476 1.00 0.00 H new ATOM 1144 N THR A 74 -7.464 -16.715 4.820 1.00 0.00 N ATOM 1145 CA THR A 74 -7.834 -18.019 4.297 1.00 0.00 C ATOM 1146 C THR A 74 -7.903 -19.047 5.428 1.00 0.00 C ATOM 1147 O THR A 74 -8.248 -20.206 5.199 1.00 0.00 O ATOM 1148 CB THR A 74 -6.832 -18.389 3.201 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.670 -18.799 3.916 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.368 -17.173 2.398 1.00 0.00 C ATOM 0 H THR A 74 -6.512 -16.421 4.600 1.00 0.00 H new ATOM 0 HA THR A 74 -8.830 -18.000 3.855 1.00 0.00 H new ATOM 0 HB THR A 74 -7.283 -19.117 2.527 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.465 -18.141 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.659 -17.491 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.228 -16.702 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.886 -16.458 3.065 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.572 -18.585 6.625 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.593 -19.451 7.793 1.00 0.00 C ATOM 1160 C ALA A 75 -9.030 -19.898 8.064 1.00 0.00 C ATOM 1161 O ALA A 75 -9.261 -20.816 8.851 1.00 0.00 O ATOM 1162 CB ALA A 75 -6.975 -18.715 8.984 1.00 0.00 C ATOM 0 H ALA A 75 -7.288 -17.623 6.812 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.997 -20.347 7.619 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.990 -19.363 9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.945 -18.445 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.549 -17.812 9.191 1.00 0.00 H new ATOM 1168 N PHE A 76 -9.960 -19.229 7.400 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.369 -19.547 7.560 1.00 0.00 C ATOM 1170 C PHE A 76 -11.906 -20.292 6.336 1.00 0.00 C ATOM 1171 O PHE A 76 -12.387 -19.673 5.389 1.00 0.00 O ATOM 1172 CB PHE A 76 -12.114 -18.218 7.699 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.581 -17.913 9.125 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -13.285 -18.843 9.823 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -12.291 -16.712 9.693 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.719 -18.560 11.145 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.724 -16.429 11.015 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.429 -17.358 11.713 1.00 0.00 C ATOM 0 H PHE A 76 -9.766 -18.468 6.750 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.509 -20.186 8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.464 -17.411 7.360 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.981 -18.228 7.038 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.514 -19.797 9.372 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.731 -15.973 9.138 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -14.279 -19.298 11.699 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.493 -15.475 11.466 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.759 -17.142 12.718 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.804 -21.613 6.396 1.00 0.00 N ATOM 1189 CA GLU A 77 -12.274 -22.449 5.305 1.00 0.00 C ATOM 1190 C GLU A 77 -13.788 -22.644 5.398 1.00 0.00 C ATOM 1191 O GLU A 77 -14.395 -23.251 4.518 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.547 -23.795 5.294 1.00 0.00 C ATOM 1193 CG GLU A 77 -10.684 -23.943 4.040 1.00 0.00 C ATOM 1194 CD GLU A 77 -11.229 -25.042 3.125 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -11.319 -26.208 3.668 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -11.547 -24.775 1.957 1.00 0.00 O ATOM 0 H GLU A 77 -11.403 -22.123 7.183 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.051 -21.945 4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.921 -23.881 6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.275 -24.605 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.656 -22.996 3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.659 -24.178 4.326 1.00 0.00 H new ATOM 1203 N ASP A 78 -14.355 -22.118 6.474 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.787 -22.227 6.695 1.00 0.00 C ATOM 1205 C ASP A 78 -16.473 -20.952 6.199 1.00 0.00 C ATOM 1206 O ASP A 78 -17.637 -20.707 6.514 1.00 0.00 O ATOM 1207 CB ASP A 78 -16.105 -22.387 8.183 1.00 0.00 C ATOM 1208 CG ASP A 78 -17.262 -23.336 8.498 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -17.130 -24.531 8.029 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -18.239 -22.955 9.160 1.00 0.00 O ATOM 0 H ASP A 78 -13.848 -21.615 7.202 1.00 0.00 H new ATOM 0 HA ASP A 78 -16.146 -23.103 6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.211 -22.746 8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.337 -21.406 8.597 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.723 -20.175 5.432 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.244 -18.932 4.890 1.00 0.00 C ATOM 1217 C TYR A 79 -15.630 -18.629 3.522 1.00 0.00 C ATOM 1218 O TYR A 79 -16.337 -18.251 2.589 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.832 -17.836 5.875 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.641 -17.829 7.173 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -16.376 -18.760 8.157 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -17.635 -16.891 7.362 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -17.137 -18.754 9.379 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -18.397 -16.885 8.584 1.00 0.00 C ATOM 1225 CZ TYR A 79 -18.109 -17.817 9.532 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.829 -17.811 10.686 1.00 0.00 O ATOM 0 H TYR A 79 -14.758 -20.382 5.173 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.325 -18.994 4.761 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.776 -17.958 6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.937 -16.866 5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.597 -19.494 8.010 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -17.842 -16.161 6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.940 -19.478 10.156 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.179 -16.157 8.744 1.00 0.00 H new ATOM 0 HH TYR A 79 -19.488 -17.086 10.657 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.319 -18.806 3.446 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.601 -18.558 2.207 1.00 0.00 C ATOM 1238 C VAL A 80 -13.669 -19.805 1.324 1.00 0.00 C ATOM 1239 O VAL A 80 -13.408 -20.914 1.789 1.00 0.00 O ATOM 1240 CB VAL A 80 -12.167 -18.119 2.513 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.335 -18.034 1.232 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -12.151 -16.787 3.266 1.00 0.00 C ATOM 0 H VAL A 80 -13.735 -19.118 4.222 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.066 -17.743 1.653 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.715 -18.874 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.320 -17.720 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.306 -19.012 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.785 -17.309 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.120 -16.497 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.629 -16.019 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.692 -16.894 4.206 1.00 0.00 H new ATOM 1252 N GLN A 81 -14.020 -19.582 0.066 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.125 -20.675 -0.887 1.00 0.00 C ATOM 1254 C GLN A 81 -12.760 -20.965 -1.514 1.00 0.00 C ATOM 1255 O GLN A 81 -12.440 -22.116 -1.806 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.169 -20.366 -1.962 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.506 -21.617 -2.774 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.866 -21.255 -4.216 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -16.995 -20.927 -4.538 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -14.843 -21.334 -5.064 1.00 0.00 N ATOM 0 H GLN A 81 -14.235 -18.661 -0.316 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.454 -21.567 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.074 -19.977 -1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.793 -19.587 -2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.655 -22.299 -2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.339 -22.143 -2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.922 -21.616 -4.727 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.980 -21.113 -6.050 1.00 0.00 H new ATOM 1269 N SER A 82 -11.993 -19.902 -1.701 1.00 0.00 N ATOM 1270 CA SER A 82 -10.670 -20.028 -2.289 1.00 0.00 C ATOM 1271 C SER A 82 -10.074 -18.642 -2.539 1.00 0.00 C ATOM 1272 O SER A 82 -10.584 -17.881 -3.361 1.00 0.00 O ATOM 1273 CB SER A 82 -10.720 -20.827 -3.592 1.00 0.00 C ATOM 1274 OG SER A 82 -10.559 -22.225 -3.368 1.00 0.00 O ATOM 0 H SER A 82 -12.262 -18.949 -1.456 1.00 0.00 H new ATOM 0 HA SER A 82 -10.035 -20.568 -1.587 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.672 -20.647 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.937 -20.475 -4.263 1.00 0.00 H new ATOM 0 HG SER A 82 -11.311 -22.560 -2.836 1.00 0.00 H new ATOM 1280 N MET A 83 -9.001 -18.354 -1.816 1.00 0.00 N ATOM 1281 CA MET A 83 -8.330 -17.072 -1.950 1.00 0.00 C ATOM 1282 C MET A 83 -7.283 -17.115 -3.065 1.00 0.00 C ATOM 1283 O MET A 83 -6.720 -18.170 -3.352 1.00 0.00 O ATOM 1284 CB MET A 83 -7.652 -16.710 -0.626 1.00 0.00 C ATOM 1285 CG MET A 83 -6.695 -15.531 -0.805 1.00 0.00 C ATOM 1286 SD MET A 83 -5.081 -16.122 -1.288 1.00 0.00 S ATOM 1287 CE MET A 83 -4.057 -14.850 -0.569 1.00 0.00 C ATOM 0 H MET A 83 -8.580 -18.987 -1.136 1.00 0.00 H new ATOM 0 HA MET A 83 -9.075 -16.318 -2.206 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.409 -16.459 0.117 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.105 -17.573 -0.246 1.00 0.00 H new ATOM 0 HG2 MET A 83 -7.083 -14.849 -1.562 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.622 -14.967 0.125 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.024 -15.196 -0.524 1.00 0.00 H new ATOM 0 HE2 MET A 83 -4.111 -13.950 -1.181 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.409 -14.626 0.438 1.00 0.00 H new ATOM 1297 N ASP A 84 -7.054 -15.954 -3.662 1.00 0.00 N ATOM 1298 CA ASP A 84 -6.084 -15.847 -4.739 1.00 0.00 C ATOM 1299 C ASP A 84 -5.557 -14.412 -4.802 1.00 0.00 C ATOM 1300 O ASP A 84 -5.863 -13.596 -3.935 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.723 -16.175 -6.090 1.00 0.00 C ATOM 1302 CG ASP A 84 -6.627 -17.642 -6.511 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -5.552 -18.127 -6.897 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.729 -18.306 -6.431 1.00 0.00 O ATOM 0 H ASP A 84 -7.523 -15.081 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.279 -16.554 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.775 -15.890 -6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.251 -15.561 -6.857 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.774 -14.148 -5.837 1.00 0.00 N ATOM 1310 CA VAL A 85 -4.201 -12.825 -6.025 1.00 0.00 C ATOM 1311 C VAL A 85 -4.905 -12.131 -7.191 1.00 0.00 C ATOM 1312 O VAL A 85 -5.204 -12.759 -8.205 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.687 -12.934 -6.219 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -2.352 -13.574 -7.569 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -2.017 -11.567 -6.080 1.00 0.00 C ATOM 0 H VAL A 85 -4.522 -14.828 -6.555 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.358 -12.210 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.294 -13.581 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.270 -13.640 -7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.783 -14.574 -7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.764 -12.964 -8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.942 -11.673 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.417 -10.887 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.214 -11.165 -5.086 1.00 0.00 H new ATOM 1325 N ALA A 86 -5.150 -10.841 -7.008 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.814 -10.053 -8.034 1.00 0.00 C ATOM 1327 C ALA A 86 -4.763 -9.290 -8.844 1.00 0.00 C ATOM 1328 O ALA A 86 -5.003 -8.931 -9.996 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.835 -9.122 -7.379 1.00 0.00 C ATOM 0 H ALA A 86 -4.901 -10.322 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.357 -10.699 -8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.333 -8.531 -8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.574 -9.714 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.326 -8.456 -6.682 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.623 -9.062 -8.208 1.00 0.00 N ATOM 1336 CA ALA A 87 -2.535 -8.348 -8.856 1.00 0.00 C ATOM 1337 C ALA A 87 -1.380 -8.181 -7.867 1.00 0.00 C ATOM 1338 O ALA A 87 -1.522 -8.486 -6.684 1.00 0.00 O ATOM 1339 CB ALA A 87 -3.049 -7.007 -9.385 1.00 0.00 C ATOM 0 H ALA A 87 -3.429 -9.359 -7.252 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.159 -8.913 -9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.234 -6.471 -9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.848 -7.182 -10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.432 -6.411 -8.556 1.00 0.00 H new ATOM 1345 N PHE A 88 -0.262 -7.698 -8.388 1.00 0.00 N ATOM 1346 CA PHE A 88 0.916 -7.487 -7.566 1.00 0.00 C ATOM 1347 C PHE A 88 1.743 -6.308 -8.085 1.00 0.00 C ATOM 1348 O PHE A 88 2.477 -6.443 -9.062 1.00 0.00 O ATOM 1349 CB PHE A 88 1.758 -8.762 -7.654 1.00 0.00 C ATOM 1350 CG PHE A 88 2.031 -9.423 -6.302 1.00 0.00 C ATOM 1351 CD1 PHE A 88 3.035 -8.961 -5.510 1.00 0.00 C ATOM 1352 CD2 PHE A 88 1.268 -10.472 -5.891 1.00 0.00 C ATOM 1353 CE1 PHE A 88 3.289 -9.575 -4.254 1.00 0.00 C ATOM 1354 CE2 PHE A 88 1.521 -11.085 -4.635 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.526 -10.623 -3.844 1.00 0.00 C ATOM 0 H PHE A 88 -0.147 -7.447 -9.370 1.00 0.00 H new ATOM 0 HA PHE A 88 0.619 -7.265 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.249 -9.477 -8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.710 -8.524 -8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.639 -8.127 -5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.470 -10.838 -6.520 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.088 -9.209 -3.625 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.916 -11.918 -4.308 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.718 -11.089 -2.889 1.00 0.00 H new ATOM 1365 N ASN A 89 1.596 -5.180 -7.406 1.00 0.00 N ATOM 1366 CA ASN A 89 2.320 -3.978 -7.785 1.00 0.00 C ATOM 1367 C ASN A 89 2.744 -3.224 -6.524 1.00 0.00 C ATOM 1368 O ASN A 89 2.238 -3.494 -5.435 1.00 0.00 O ATOM 1369 CB ASN A 89 1.440 -3.047 -8.621 1.00 0.00 C ATOM 1370 CG ASN A 89 2.182 -1.754 -8.965 1.00 0.00 C ATOM 1371 OD1 ASN A 89 3.296 -1.762 -9.464 1.00 0.00 O ATOM 1372 ND2 ASN A 89 1.507 -0.648 -8.672 1.00 0.00 N ATOM 0 H ASN A 89 0.986 -5.073 -6.595 1.00 0.00 H new ATOM 0 HA ASN A 89 3.188 -4.277 -8.372 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.138 -3.552 -9.538 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.528 -2.812 -8.072 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.917 0.266 -8.864 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.578 -0.713 -8.255 1.00 0.00 H new ATOM 1379 N LYS A 90 3.668 -2.293 -6.712 1.00 0.00 N ATOM 1380 CA LYS A 90 4.165 -1.498 -5.603 1.00 0.00 C ATOM 1381 C LYS A 90 3.206 -0.334 -5.344 1.00 0.00 C ATOM 1382 O LYS A 90 2.588 0.217 -6.253 1.00 0.00 O ATOM 1383 CB LYS A 90 5.608 -1.059 -5.863 1.00 0.00 C ATOM 1384 CG LYS A 90 5.831 -0.755 -7.346 1.00 0.00 C ATOM 1385 CD LYS A 90 7.022 0.184 -7.540 1.00 0.00 C ATOM 1386 CE LYS A 90 7.705 -0.067 -8.887 1.00 0.00 C ATOM 1387 NZ LYS A 90 7.934 1.210 -9.598 1.00 0.00 N ATOM 0 H LYS A 90 4.085 -2.072 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 90 4.196 -2.095 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.835 -0.174 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.294 -1.843 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.004 -1.684 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.934 -0.302 -7.767 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.686 1.219 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.739 0.039 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.655 -0.578 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.087 -0.724 -9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.398 1.021 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.023 1.683 -9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.543 1.825 -9.020 1.00 0.00 H new ATOM 1401 N ILE A 91 3.094 0.033 -4.065 1.00 0.00 N ATOM 1402 CA ILE A 91 2.228 1.118 -3.651 1.00 0.00 C ATOM 1403 C ILE A 91 2.782 1.765 -2.390 1.00 0.00 C ATOM 1404 O ILE A 91 3.433 2.804 -2.457 1.00 0.00 O ATOM 1405 CB ILE A 91 0.820 0.582 -3.414 1.00 0.00 C ATOM 1406 CG1 ILE A 91 0.231 0.093 -4.734 1.00 0.00 C ATOM 1407 CG2 ILE A 91 -0.058 1.694 -2.846 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -1.281 -0.053 -4.593 1.00 0.00 C ATOM 1409 OXT ILE A 91 2.580 1.254 -1.288 1.00 0.00 O ATOM 0 H ILE A 91 3.600 -0.414 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 91 2.185 1.875 -4.434 1.00 0.00 H new ATOM 0 HB ILE A 91 0.861 -0.246 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.466 0.797 -5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.675 -0.863 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.065 1.312 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.362 2.043 -1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.099 2.522 -3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.702 -0.402 -5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.505 -0.773 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.717 0.912 -4.336 1.00 0.00 H new TER 1421 ILE A 91