USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 72 ASN : amide:sc= 0.317 K(o=0.32,f=-8.3!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0 X(o=0.32,f=0.47) USER MOD Set 2.1: A 50 GLN : amide:sc= 0.76 K(o=1.8,f=-1.1) USER MOD Set 2.2: A 64 GLN : amide:sc= 1.01 K(o=1.8,f=-0.71) USER MOD Set 3.1: A 42 HIS : +bothHN:sc= -0.336 K(o=1.9,f=-7!) USER MOD Set 3.2: A 45 ASN : amide:sc= 2.28 K(o=1.9,f=-10!) USER MOD Set 4.1: A 24 THR OG1 : rot -77:sc= 1.99 USER MOD Set 4.2: A 25 LYS NZ :NH3+ 177:sc= 2.09 (180deg=0.755) USER MOD Set 5.1: A 13 THR OG1 : rot -140:sc= 1.05 USER MOD Set 5.2: A 69 LYS NZ :NH3+ -140:sc= 0.168! (180deg=-1.15) USER MOD Single : A 1 SER N :NH3+ 164:sc= 0.752 (180deg=-0.573) USER MOD Single : A 1 SER OG : rot 82:sc= 1.28 USER MOD Single : A 5 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.36) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 1.15 (180deg=0.737) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.562 K(o=0.56,f=-9.7!) USER MOD Single : A 21 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 26 SER OG : rot -149:sc= 1.2 USER MOD Single : A 41 GLN : amide:sc= 1.8 K(o=1.8,f=-6.7!) USER MOD Single : A 47 GLN : amide:sc= 0.892 K(o=0.89,f=-4.6!) USER MOD Single : A 49 MET CE :methyl -175:sc= -0.0611 (180deg=-0.0696) USER MOD Single : A 57 THR OG1 : rot 123:sc= 1.11 USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= 2.52 (180deg=2) USER MOD Single : A 79 SER OG : rot 150:sc= 0.0398 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.799 USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= 3.49 (180deg=2.06) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.159 10.036 12.009 1.00 0.00 N ATOM 2 CA SER A 1 -1.024 9.731 12.827 1.00 0.00 C ATOM 3 C SER A 1 -1.600 8.374 12.407 1.00 0.00 C ATOM 4 O SER A 1 -0.863 7.554 11.867 1.00 0.00 O ATOM 5 CB SER A 1 -2.041 10.876 12.708 1.00 0.00 C ATOM 6 OG SER A 1 -1.419 12.102 13.041 1.00 0.00 O ATOM 0 H1 SER A 1 0.388 11.047 12.093 1.00 0.00 H new ATOM 0 H2 SER A 1 0.966 9.469 12.340 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.039 9.808 11.014 1.00 0.00 H new ATOM 0 HA SER A 1 -0.753 9.653 13.880 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.435 10.921 11.693 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.887 10.694 13.371 1.00 0.00 H new ATOM 0 HG SER A 1 -0.932 12.444 12.262 1.00 0.00 H new ATOM 14 N ALA A 2 -2.897 8.123 12.626 1.00 0.00 N ATOM 15 CA ALA A 2 -3.596 6.958 12.096 1.00 0.00 C ATOM 16 C ALA A 2 -5.081 7.314 11.947 1.00 0.00 C ATOM 17 O ALA A 2 -5.722 7.595 12.958 1.00 0.00 O ATOM 18 CB ALA A 2 -3.401 5.750 13.018 1.00 0.00 C ATOM 0 H ALA A 2 -3.493 8.734 13.184 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.190 6.686 11.122 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.929 4.890 12.607 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.338 5.520 13.096 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.796 5.980 14.007 1.00 0.00 H new ATOM 24 N PRO A 3 -5.628 7.380 10.722 1.00 0.00 N ATOM 25 CA PRO A 3 -7.021 7.734 10.504 1.00 0.00 C ATOM 26 C PRO A 3 -7.958 6.614 10.931 1.00 0.00 C ATOM 27 O PRO A 3 -7.566 5.453 11.017 1.00 0.00 O ATOM 28 CB PRO A 3 -7.164 8.013 9.003 1.00 0.00 C ATOM 29 CG PRO A 3 -5.978 7.290 8.361 1.00 0.00 C ATOM 30 CD PRO A 3 -4.931 7.181 9.467 1.00 0.00 C ATOM 0 HA PRO A 3 -7.293 8.604 11.102 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.112 7.637 8.619 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.136 9.082 8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.268 6.305 7.995 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.592 7.847 7.507 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.445 6.206 9.445 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.150 7.930 9.335 1.00 0.00 H new ATOM 38 N ALA A 4 -9.228 6.968 11.144 1.00 0.00 N ATOM 39 CA ALA A 4 -10.266 5.984 11.390 1.00 0.00 C ATOM 40 C ALA A 4 -10.390 5.064 10.173 1.00 0.00 C ATOM 41 O ALA A 4 -10.384 3.842 10.295 1.00 0.00 O ATOM 42 CB ALA A 4 -11.591 6.689 11.690 1.00 0.00 C ATOM 0 H ALA A 4 -9.555 7.934 11.149 1.00 0.00 H new ATOM 0 HA ALA A 4 -10.005 5.377 12.257 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.366 5.945 11.874 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.476 7.319 12.572 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.876 7.306 10.838 1.00 0.00 H new ATOM 48 N ASN A 5 -10.432 5.661 8.978 1.00 0.00 N ATOM 49 CA ASN A 5 -10.408 4.933 7.714 1.00 0.00 C ATOM 50 C ASN A 5 -8.951 4.694 7.337 1.00 0.00 C ATOM 51 O ASN A 5 -8.493 5.117 6.280 1.00 0.00 O ATOM 52 CB ASN A 5 -11.190 5.655 6.601 1.00 0.00 C ATOM 53 CG ASN A 5 -11.022 7.165 6.626 1.00 0.00 C ATOM 54 OD1 ASN A 5 -11.944 7.907 6.941 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.814 7.622 6.334 1.00 0.00 N ATOM 0 H ASN A 5 -10.484 6.673 8.864 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.917 3.977 7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.862 5.277 5.633 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.249 5.413 6.696 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.626 8.624 6.367 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.071 6.972 6.076 1.00 0.00 H new ATOM 62 N ALA A 6 -8.229 4.015 8.220 1.00 0.00 N ATOM 63 CA ALA A 6 -6.941 3.406 7.929 1.00 0.00 C ATOM 64 C ALA A 6 -7.162 1.998 7.397 1.00 0.00 C ATOM 65 O ALA A 6 -8.004 1.268 7.914 1.00 0.00 O ATOM 66 CB ALA A 6 -6.116 3.331 9.215 1.00 0.00 C ATOM 0 H ALA A 6 -8.533 3.870 9.183 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.412 4.003 7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.149 2.875 9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.964 4.336 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.646 2.729 9.953 1.00 0.00 H new ATOM 72 N VAL A 7 -6.384 1.594 6.391 1.00 0.00 N ATOM 73 CA VAL A 7 -6.283 0.185 6.055 1.00 0.00 C ATOM 74 C VAL A 7 -5.650 -0.554 7.235 1.00 0.00 C ATOM 75 O VAL A 7 -4.591 -0.162 7.725 1.00 0.00 O ATOM 76 CB VAL A 7 -5.487 -0.010 4.758 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.235 -1.495 4.466 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.262 0.585 3.578 1.00 0.00 C ATOM 0 H VAL A 7 -5.825 2.216 5.807 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.275 -0.229 5.874 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.529 0.494 4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.669 -1.593 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.668 -1.936 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.189 -2.013 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.692 0.444 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.226 0.085 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.420 1.650 3.747 1.00 0.00 H new ATOM 88 N ALA A 8 -6.313 -1.621 7.677 1.00 0.00 N ATOM 89 CA ALA A 8 -5.838 -2.500 8.731 1.00 0.00 C ATOM 90 C ALA A 8 -5.087 -3.672 8.104 1.00 0.00 C ATOM 91 O ALA A 8 -5.448 -4.128 7.022 1.00 0.00 O ATOM 92 CB ALA A 8 -7.029 -2.987 9.561 1.00 0.00 C ATOM 0 H ALA A 8 -7.218 -1.901 7.299 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.156 -1.965 9.392 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.675 -3.647 10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.539 -2.131 10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.722 -3.530 8.919 1.00 0.00 H new ATOM 98 N ALA A 9 -4.054 -4.181 8.779 1.00 0.00 N ATOM 99 CA ALA A 9 -3.308 -5.344 8.311 1.00 0.00 C ATOM 100 C ALA A 9 -4.256 -6.522 8.055 1.00 0.00 C ATOM 101 O ALA A 9 -4.159 -7.207 7.041 1.00 0.00 O ATOM 102 CB ALA A 9 -2.245 -5.713 9.349 1.00 0.00 C ATOM 0 H ALA A 9 -3.715 -3.798 9.661 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.815 -5.104 7.369 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.685 -6.582 9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.564 -4.873 9.486 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.728 -5.947 10.298 1.00 0.00 H new ATOM 108 N ASP A 10 -5.185 -6.725 8.987 1.00 0.00 N ATOM 109 CA ASP A 10 -6.204 -7.761 8.991 1.00 0.00 C ATOM 110 C ASP A 10 -7.478 -7.339 8.244 1.00 0.00 C ATOM 111 O ASP A 10 -8.479 -8.052 8.311 1.00 0.00 O ATOM 112 CB ASP A 10 -6.520 -8.105 10.457 1.00 0.00 C ATOM 113 CG ASP A 10 -6.961 -6.878 11.249 1.00 0.00 C ATOM 114 OD1 ASP A 10 -6.132 -5.940 11.319 1.00 0.00 O ATOM 115 OD2 ASP A 10 -8.101 -6.890 11.757 1.00 0.00 O ATOM 0 H ASP A 10 -5.246 -6.128 9.812 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.823 -8.634 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.305 -8.860 10.491 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.638 -8.541 10.925 1.00 0.00 H new ATOM 120 N ASP A 11 -7.464 -6.222 7.502 1.00 0.00 N ATOM 121 CA ASP A 11 -8.583 -5.873 6.632 1.00 0.00 C ATOM 122 C ASP A 11 -8.812 -7.014 5.635 1.00 0.00 C ATOM 123 O ASP A 11 -7.872 -7.668 5.188 1.00 0.00 O ATOM 124 CB ASP A 11 -8.301 -4.525 5.950 1.00 0.00 C ATOM 125 CG ASP A 11 -9.311 -4.057 4.922 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.335 -4.727 4.661 1.00 0.00 O ATOM 127 OD2 ASP A 11 -9.055 -2.986 4.335 1.00 0.00 O ATOM 0 H ASP A 11 -6.694 -5.553 7.490 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.503 -5.751 7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.225 -3.761 6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.326 -4.586 5.466 1.00 0.00 H new ATOM 132 N ALA A 12 -10.067 -7.236 5.257 1.00 0.00 N ATOM 133 CA ALA A 12 -10.424 -8.263 4.293 1.00 0.00 C ATOM 134 C ALA A 12 -9.812 -7.883 2.949 1.00 0.00 C ATOM 135 O ALA A 12 -9.232 -8.710 2.244 1.00 0.00 O ATOM 136 CB ALA A 12 -11.948 -8.373 4.205 1.00 0.00 C ATOM 0 H ALA A 12 -10.863 -6.707 5.612 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.040 -9.237 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.216 -9.143 3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.351 -8.637 5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.364 -7.417 3.888 1.00 0.00 H new ATOM 142 N THR A 13 -9.913 -6.594 2.618 1.00 0.00 N ATOM 143 CA THR A 13 -9.300 -6.046 1.430 1.00 0.00 C ATOM 144 C THR A 13 -7.778 -6.216 1.521 1.00 0.00 C ATOM 145 O THR A 13 -7.147 -6.649 0.561 1.00 0.00 O ATOM 146 CB THR A 13 -9.733 -4.582 1.306 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.138 -4.474 1.486 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.369 -3.985 -0.053 1.00 0.00 C ATOM 0 H THR A 13 -10.425 -5.909 3.174 1.00 0.00 H new ATOM 0 HA THR A 13 -9.621 -6.570 0.529 1.00 0.00 H new ATOM 0 HB THR A 13 -9.202 -4.027 2.079 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.500 -3.821 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.696 -2.946 -0.093 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.289 -4.031 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.862 -4.551 -0.843 1.00 0.00 H new ATOM 156 N ALA A 14 -7.179 -5.920 2.682 1.00 0.00 N ATOM 157 CA ALA A 14 -5.741 -6.078 2.848 1.00 0.00 C ATOM 158 C ALA A 14 -5.330 -7.520 2.600 1.00 0.00 C ATOM 159 O ALA A 14 -4.398 -7.767 1.846 1.00 0.00 O ATOM 160 CB ALA A 14 -5.272 -5.638 4.234 1.00 0.00 C ATOM 0 H ALA A 14 -7.667 -5.574 3.508 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.262 -5.433 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.193 -5.773 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.518 -4.587 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.770 -6.240 4.995 1.00 0.00 H new ATOM 166 N ILE A 15 -6.038 -8.469 3.207 1.00 0.00 N ATOM 167 CA ILE A 15 -5.800 -9.890 3.042 1.00 0.00 C ATOM 168 C ILE A 15 -5.843 -10.230 1.550 1.00 0.00 C ATOM 169 O ILE A 15 -4.876 -10.771 1.013 1.00 0.00 O ATOM 170 CB ILE A 15 -6.804 -10.664 3.909 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.322 -10.557 5.365 1.00 0.00 C ATOM 172 CG2 ILE A 15 -6.923 -12.132 3.479 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.374 -11.016 6.370 1.00 0.00 C ATOM 0 H ILE A 15 -6.810 -8.261 3.841 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.810 -10.187 3.389 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.800 -10.235 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.421 -11.157 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.049 -9.523 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.643 -12.641 4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.259 -12.182 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.951 -12.617 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.978 -10.918 7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.267 -10.400 6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.629 -12.058 6.179 1.00 0.00 H new ATOM 185 N ALA A 16 -6.931 -9.864 0.864 1.00 0.00 N ATOM 186 CA ALA A 16 -7.064 -10.085 -0.573 1.00 0.00 C ATOM 187 C ALA A 16 -5.882 -9.498 -1.359 1.00 0.00 C ATOM 188 O ALA A 16 -5.396 -10.109 -2.308 1.00 0.00 O ATOM 189 CB ALA A 16 -8.392 -9.497 -1.060 1.00 0.00 C ATOM 0 H ALA A 16 -7.738 -9.409 1.290 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.057 -11.160 -0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.491 -9.662 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.218 -9.983 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.413 -8.427 -0.854 1.00 0.00 H new ATOM 195 N LEU A 17 -5.419 -8.315 -0.956 1.00 0.00 N ATOM 196 CA LEU A 17 -4.328 -7.585 -1.593 1.00 0.00 C ATOM 197 C LEU A 17 -2.964 -7.984 -1.025 1.00 0.00 C ATOM 198 O LEU A 17 -1.955 -7.458 -1.476 1.00 0.00 O ATOM 199 CB LEU A 17 -4.620 -6.082 -1.506 1.00 0.00 C ATOM 200 CG LEU A 17 -5.897 -5.662 -2.257 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.096 -4.159 -2.054 1.00 0.00 C ATOM 202 CD2 LEU A 17 -5.829 -5.958 -3.760 1.00 0.00 C ATOM 0 H LEU A 17 -5.807 -7.824 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.271 -7.852 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.714 -5.798 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.771 -5.531 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.729 -6.240 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.996 -3.837 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.199 -3.946 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.234 -3.621 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.757 -5.640 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.992 -5.416 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.690 -7.028 -3.914 1.00 0.00 H new ATOM 214 N LYS A 18 -2.897 -8.927 -0.078 1.00 0.00 N ATOM 215 CA LYS A 18 -1.673 -9.298 0.616 1.00 0.00 C ATOM 216 C LYS A 18 -0.938 -8.058 1.135 1.00 0.00 C ATOM 217 O LYS A 18 0.292 -8.004 1.141 1.00 0.00 O ATOM 218 CB LYS A 18 -0.787 -10.130 -0.312 1.00 0.00 C ATOM 219 CG LYS A 18 -1.520 -11.321 -0.939 1.00 0.00 C ATOM 220 CD LYS A 18 -1.848 -12.391 0.114 1.00 0.00 C ATOM 221 CE LYS A 18 -1.700 -13.802 -0.466 1.00 0.00 C ATOM 222 NZ LYS A 18 -0.277 -14.174 -0.615 1.00 0.00 N ATOM 0 H LYS A 18 -3.711 -9.460 0.228 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.927 -9.905 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.402 -9.490 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.073 -10.495 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.441 -10.977 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.904 -11.758 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.185 -12.276 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.866 -12.249 0.476 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.200 -14.519 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.195 -13.853 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.204 -15.056 -1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.230 -13.415 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.146 -14.314 0.325 1.00 0.00 H new ATOM 236 N TYR A 19 -1.701 -7.045 1.547 1.00 0.00 N ATOM 237 CA TYR A 19 -1.128 -5.791 1.981 1.00 0.00 C ATOM 238 C TYR A 19 -0.431 -5.998 3.317 1.00 0.00 C ATOM 239 O TYR A 19 -0.930 -6.723 4.176 1.00 0.00 O ATOM 240 CB TYR A 19 -2.184 -4.676 2.021 1.00 0.00 C ATOM 241 CG TYR A 19 -1.877 -3.492 2.933 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.195 -3.565 4.304 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.285 -2.319 2.424 1.00 0.00 C ATOM 244 CE1 TYR A 19 -1.980 -2.463 5.146 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.052 -1.222 3.274 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.446 -1.277 4.622 1.00 0.00 C ATOM 247 OH TYR A 19 -1.280 -0.191 5.428 1.00 0.00 O ATOM 0 H TYR A 19 -2.720 -7.079 1.586 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.381 -5.459 1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.325 -4.301 1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.132 -5.113 2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.608 -4.477 4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.010 -2.262 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.225 -2.528 6.196 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.569 -0.336 2.890 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.898 0.547 4.908 1.00 0.00 H new ATOM 257 N ASN A 20 0.692 -5.310 3.512 1.00 0.00 N ATOM 258 CA ASN A 20 1.187 -5.043 4.852 1.00 0.00 C ATOM 259 C ASN A 20 1.552 -3.568 4.914 1.00 0.00 C ATOM 260 O ASN A 20 2.044 -3.011 3.931 1.00 0.00 O ATOM 261 CB ASN A 20 2.324 -5.988 5.244 1.00 0.00 C ATOM 262 CG ASN A 20 2.694 -5.905 6.718 1.00 0.00 C ATOM 263 OD1 ASN A 20 2.283 -4.999 7.440 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.503 -6.844 7.183 1.00 0.00 N ATOM 0 H ASN A 20 1.270 -4.931 2.762 1.00 0.00 H new ATOM 0 HA ASN A 20 0.419 -5.244 5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.035 -7.012 5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.203 -5.757 4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.798 -6.825 8.159 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.831 -7.586 6.565 1.00 0.00 H new ATOM 271 N GLN A 21 1.264 -2.944 6.054 1.00 0.00 N ATOM 272 CA GLN A 21 1.620 -1.574 6.369 1.00 0.00 C ATOM 273 C GLN A 21 3.129 -1.478 6.585 1.00 0.00 C ATOM 274 O GLN A 21 3.746 -0.487 6.205 1.00 0.00 O ATOM 275 CB GLN A 21 0.856 -1.149 7.623 1.00 0.00 C ATOM 276 CG GLN A 21 0.995 0.354 7.887 1.00 0.00 C ATOM 277 CD GLN A 21 0.302 0.752 9.180 1.00 0.00 C ATOM 278 OE1 GLN A 21 0.933 1.236 10.112 1.00 0.00 O ATOM 279 NE2 GLN A 21 -1.008 0.558 9.242 1.00 0.00 N ATOM 0 H GLN A 21 0.756 -3.403 6.810 1.00 0.00 H new ATOM 0 HA GLN A 21 1.353 -0.908 5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.198 -1.403 7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.229 -1.706 8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.051 0.620 7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.567 0.913 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.502 0.153 8.447 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.522 0.814 10.085 1.00 0.00 H new ATOM 288 N ASP A 22 3.721 -2.515 7.188 1.00 0.00 N ATOM 289 CA ASP A 22 5.162 -2.659 7.214 1.00 0.00 C ATOM 290 C ASP A 22 5.585 -3.421 5.964 1.00 0.00 C ATOM 291 O ASP A 22 5.595 -4.656 5.942 1.00 0.00 O ATOM 292 CB ASP A 22 5.627 -3.368 8.487 1.00 0.00 C ATOM 293 CG ASP A 22 7.146 -3.443 8.538 1.00 0.00 C ATOM 294 OD1 ASP A 22 7.806 -3.216 7.497 1.00 0.00 O ATOM 295 OD2 ASP A 22 7.658 -3.762 9.632 1.00 0.00 O ATOM 0 H ASP A 22 3.214 -3.263 7.662 1.00 0.00 H new ATOM 0 HA ASP A 22 5.632 -1.676 7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.255 -2.835 9.362 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.207 -4.373 8.523 1.00 0.00 H new ATOM 300 N ALA A 23 5.960 -2.677 4.924 1.00 0.00 N ATOM 301 CA ALA A 23 6.484 -3.255 3.704 1.00 0.00 C ATOM 302 C ALA A 23 7.585 -4.295 3.958 1.00 0.00 C ATOM 303 O ALA A 23 7.617 -5.303 3.252 1.00 0.00 O ATOM 304 CB ALA A 23 6.954 -2.142 2.770 1.00 0.00 C ATOM 0 H ALA A 23 5.906 -1.659 4.911 1.00 0.00 H new ATOM 0 HA ALA A 23 5.676 -3.804 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.348 -2.579 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.114 -1.490 2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.736 -1.562 3.260 1.00 0.00 H new ATOM 310 N THR A 24 8.467 -4.110 4.957 1.00 0.00 N ATOM 311 CA THR A 24 9.582 -5.044 5.155 1.00 0.00 C ATOM 312 C THR A 24 9.075 -6.453 5.458 1.00 0.00 C ATOM 313 O THR A 24 9.783 -7.429 5.225 1.00 0.00 O ATOM 314 CB THR A 24 10.565 -4.582 6.250 1.00 0.00 C ATOM 315 OG1 THR A 24 9.996 -4.643 7.545 1.00 0.00 O ATOM 316 CG2 THR A 24 11.085 -3.164 6.001 1.00 0.00 C ATOM 0 H THR A 24 8.429 -3.339 5.624 1.00 0.00 H new ATOM 0 HA THR A 24 10.134 -5.060 4.215 1.00 0.00 H new ATOM 0 HB THR A 24 11.401 -5.280 6.200 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.389 -3.884 7.672 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.773 -2.884 6.798 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.605 -3.130 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.247 -2.467 5.983 1.00 0.00 H new ATOM 324 N LYS A 25 7.859 -6.555 6.006 1.00 0.00 N ATOM 325 CA LYS A 25 7.244 -7.809 6.402 1.00 0.00 C ATOM 326 C LYS A 25 6.029 -8.082 5.515 1.00 0.00 C ATOM 327 O LYS A 25 5.095 -8.773 5.920 1.00 0.00 O ATOM 328 CB LYS A 25 6.888 -7.680 7.884 1.00 0.00 C ATOM 329 CG LYS A 25 8.183 -7.574 8.706 1.00 0.00 C ATOM 330 CD LYS A 25 7.934 -7.065 10.129 1.00 0.00 C ATOM 331 CE LYS A 25 9.240 -6.545 10.754 1.00 0.00 C ATOM 332 NZ LYS A 25 9.687 -5.272 10.143 1.00 0.00 N ATOM 0 H LYS A 25 7.268 -5.744 6.187 1.00 0.00 H new ATOM 0 HA LYS A 25 7.912 -8.661 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.267 -6.799 8.046 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.307 -8.544 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.662 -8.552 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.877 -6.903 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.191 -6.268 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.526 -7.868 10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.096 -6.401 11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.021 -7.296 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.542 -4.935 10.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.900 -5.426 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.934 -4.561 10.233 1.00 0.00 H new ATOM 346 N SER A 26 6.033 -7.524 4.306 1.00 0.00 N ATOM 347 CA SER A 26 5.099 -7.879 3.255 1.00 0.00 C ATOM 348 C SER A 26 5.646 -9.052 2.437 1.00 0.00 C ATOM 349 O SER A 26 6.762 -9.521 2.661 1.00 0.00 O ATOM 350 CB SER A 26 4.875 -6.661 2.359 1.00 0.00 C ATOM 351 OG SER A 26 3.775 -6.916 1.513 1.00 0.00 O ATOM 0 H SER A 26 6.698 -6.802 4.031 1.00 0.00 H new ATOM 0 HA SER A 26 4.150 -8.185 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.687 -5.775 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.768 -6.458 1.767 1.00 0.00 H new ATOM 0 HG SER A 26 3.897 -6.440 0.665 1.00 0.00 H new ATOM 357 N GLU A 27 4.882 -9.473 1.428 1.00 0.00 N ATOM 358 CA GLU A 27 5.292 -10.499 0.476 1.00 0.00 C ATOM 359 C GLU A 27 6.228 -9.932 -0.593 1.00 0.00 C ATOM 360 O GLU A 27 6.680 -10.679 -1.455 1.00 0.00 O ATOM 361 CB GLU A 27 4.054 -11.145 -0.167 1.00 0.00 C ATOM 362 CG GLU A 27 3.203 -11.836 0.903 1.00 0.00 C ATOM 363 CD GLU A 27 2.043 -12.648 0.343 1.00 0.00 C ATOM 364 OE1 GLU A 27 1.690 -12.502 -0.850 1.00 0.00 O ATOM 365 OE2 GLU A 27 1.462 -13.443 1.114 1.00 0.00 O ATOM 0 H GLU A 27 3.948 -9.104 1.249 1.00 0.00 H new ATOM 0 HA GLU A 27 5.847 -11.264 1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.462 -10.386 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.363 -11.869 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.842 -12.493 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.809 -11.081 1.583 1.00 0.00 H new ATOM 372 N ARG A 28 6.523 -8.629 -0.569 1.00 0.00 N ATOM 373 CA ARG A 28 7.205 -7.935 -1.649 1.00 0.00 C ATOM 374 C ARG A 28 8.490 -8.626 -2.108 1.00 0.00 C ATOM 375 O ARG A 28 8.702 -8.797 -3.303 1.00 0.00 O ATOM 376 CB ARG A 28 7.406 -6.465 -1.271 1.00 0.00 C ATOM 377 CG ARG A 28 8.234 -6.227 -0.008 1.00 0.00 C ATOM 378 CD ARG A 28 8.455 -4.726 0.183 1.00 0.00 C ATOM 379 NE ARG A 28 9.524 -4.461 1.167 1.00 0.00 N ATOM 380 CZ ARG A 28 10.046 -3.254 1.429 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.659 -2.179 0.748 1.00 0.00 N ATOM 382 NH2 ARG A 28 11.027 -3.096 2.317 1.00 0.00 N ATOM 0 H ARG A 28 6.288 -8.023 0.217 1.00 0.00 H new ATOM 0 HA ARG A 28 6.564 -7.974 -2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.888 -5.954 -2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.428 -6.003 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.721 -6.643 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.193 -6.739 -0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.716 -4.270 -0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.528 -4.259 0.516 1.00 0.00 H new ATOM 0 HE ARG A 28 9.893 -5.257 1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.956 -2.266 0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.066 -1.268 0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.398 -3.904 2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.407 -2.167 2.498 1.00 0.00 H new ATOM 396 N VAL A 29 9.333 -9.050 -1.168 1.00 0.00 N ATOM 397 CA VAL A 29 10.570 -9.780 -1.435 1.00 0.00 C ATOM 398 C VAL A 29 10.285 -11.103 -2.149 1.00 0.00 C ATOM 399 O VAL A 29 11.006 -11.479 -3.070 1.00 0.00 O ATOM 400 CB VAL A 29 11.322 -9.939 -0.101 1.00 0.00 C ATOM 401 CG1 VAL A 29 11.947 -11.317 0.132 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.403 -8.863 0.037 1.00 0.00 C ATOM 0 H VAL A 29 9.170 -8.891 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 29 11.212 -9.228 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 29 10.555 -9.823 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.453 -11.328 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.166 -12.077 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.668 -11.528 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.924 -8.991 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.115 -8.955 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.940 -7.877 0.007 1.00 0.00 H new ATOM 412 N ALA A 30 9.241 -11.811 -1.721 1.00 0.00 N ATOM 413 CA ALA A 30 8.865 -13.094 -2.302 1.00 0.00 C ATOM 414 C ALA A 30 8.307 -12.895 -3.713 1.00 0.00 C ATOM 415 O ALA A 30 8.680 -13.598 -4.648 1.00 0.00 O ATOM 416 CB ALA A 30 7.853 -13.802 -1.393 1.00 0.00 C ATOM 0 H ALA A 30 8.633 -11.509 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 30 9.749 -13.727 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.576 -14.760 -1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.299 -13.968 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.963 -13.181 -1.286 1.00 0.00 H new ATOM 422 N ALA A 31 7.392 -11.934 -3.853 1.00 0.00 N ATOM 423 CA ALA A 31 6.703 -11.627 -5.095 1.00 0.00 C ATOM 424 C ALA A 31 7.657 -11.023 -6.130 1.00 0.00 C ATOM 425 O ALA A 31 7.562 -11.335 -7.314 1.00 0.00 O ATOM 426 CB ALA A 31 5.547 -10.673 -4.781 1.00 0.00 C ATOM 0 H ALA A 31 7.106 -11.334 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 31 6.313 -12.546 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.016 -10.430 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.861 -11.151 -4.082 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.940 -9.759 -4.336 1.00 0.00 H new ATOM 432 N ALA A 32 8.546 -10.136 -5.675 1.00 0.00 N ATOM 433 CA ALA A 32 9.554 -9.433 -6.459 1.00 0.00 C ATOM 434 C ALA A 32 9.015 -8.938 -7.805 1.00 0.00 C ATOM 435 O ALA A 32 9.567 -9.250 -8.859 1.00 0.00 O ATOM 436 CB ALA A 32 10.801 -10.310 -6.609 1.00 0.00 C ATOM 0 H ALA A 32 8.580 -9.877 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 32 9.837 -8.530 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.551 -9.779 -7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.206 -10.538 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.534 -11.238 -7.115 1.00 0.00 H new ATOM 442 N ARG A 33 7.946 -8.135 -7.774 1.00 0.00 N ATOM 443 CA ARG A 33 7.406 -7.555 -8.999 1.00 0.00 C ATOM 444 C ARG A 33 8.477 -6.701 -9.688 1.00 0.00 C ATOM 445 O ARG A 33 9.206 -5.995 -8.997 1.00 0.00 O ATOM 446 CB ARG A 33 6.134 -6.755 -8.717 1.00 0.00 C ATOM 447 CG ARG A 33 5.008 -7.782 -8.681 1.00 0.00 C ATOM 448 CD ARG A 33 3.657 -7.175 -8.348 1.00 0.00 C ATOM 449 NE ARG A 33 3.214 -6.048 -9.192 1.00 0.00 N ATOM 450 CZ ARG A 33 3.005 -6.055 -10.515 1.00 0.00 C ATOM 451 NH1 ARG A 33 3.212 -7.173 -11.213 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.574 -4.956 -11.142 1.00 0.00 N ATOM 0 H ARG A 33 7.446 -7.877 -6.923 1.00 0.00 H new ATOM 0 HA ARG A 33 7.127 -8.361 -9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.208 -6.220 -7.770 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.960 -6.008 -9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.947 -8.279 -9.649 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.247 -8.548 -7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.905 -7.962 -8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.681 -6.836 -7.312 1.00 0.00 H new ATOM 0 HE ARG A 33 3.048 -5.163 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.528 -8.019 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.054 -7.182 -12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.401 -4.101 -10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.418 -4.972 -12.150 1.00 0.00 H new ATOM 466 N PRO A 34 8.600 -6.752 -11.024 1.00 0.00 N ATOM 467 CA PRO A 34 9.571 -5.945 -11.742 1.00 0.00 C ATOM 468 C PRO A 34 9.207 -4.462 -11.624 1.00 0.00 C ATOM 469 O PRO A 34 8.034 -4.122 -11.475 1.00 0.00 O ATOM 470 CB PRO A 34 9.517 -6.440 -13.190 1.00 0.00 C ATOM 471 CG PRO A 34 8.083 -6.953 -13.329 1.00 0.00 C ATOM 472 CD PRO A 34 7.788 -7.530 -11.944 1.00 0.00 C ATOM 0 HA PRO A 34 10.580 -6.041 -11.341 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.729 -5.639 -13.898 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.247 -7.229 -13.374 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.391 -6.152 -13.588 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.999 -7.711 -14.108 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.729 -7.447 -11.701 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.044 -8.588 -11.896 1.00 0.00 H new ATOM 480 N GLY A 35 10.216 -3.588 -11.684 1.00 0.00 N ATOM 481 CA GLY A 35 10.065 -2.146 -11.548 1.00 0.00 C ATOM 482 C GLY A 35 11.268 -1.583 -10.798 1.00 0.00 C ATOM 483 O GLY A 35 12.069 -0.845 -11.362 1.00 0.00 O ATOM 0 H GLY A 35 11.183 -3.877 -11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.985 -1.683 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.145 -1.914 -11.011 1.00 0.00 H new ATOM 487 N LEU A 36 11.400 -1.966 -9.527 1.00 0.00 N ATOM 488 CA LEU A 36 12.474 -1.584 -8.615 1.00 0.00 C ATOM 489 C LEU A 36 12.621 -2.763 -7.640 1.00 0.00 C ATOM 490 O LEU A 36 11.727 -3.611 -7.594 1.00 0.00 O ATOM 491 CB LEU A 36 12.112 -0.259 -7.915 1.00 0.00 C ATOM 492 CG LEU A 36 13.125 0.894 -8.043 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.435 1.285 -9.492 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.565 2.122 -7.313 1.00 0.00 C ATOM 0 H LEU A 36 10.721 -2.585 -9.084 1.00 0.00 H new ATOM 0 HA LEU A 36 13.423 -1.400 -9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.156 0.084 -8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.964 -0.464 -6.855 1.00 0.00 H new ATOM 0 HG LEU A 36 14.059 0.545 -7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.155 2.103 -9.502 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.853 0.427 -10.019 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.518 1.604 -9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.272 2.948 -7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.615 2.411 -7.763 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.409 1.881 -6.262 1.00 0.00 H new ATOM 506 N PRO A 37 13.728 -2.871 -6.893 1.00 0.00 N ATOM 507 CA PRO A 37 14.014 -4.035 -6.074 1.00 0.00 C ATOM 508 C PRO A 37 13.042 -4.046 -4.891 1.00 0.00 C ATOM 509 O PRO A 37 12.602 -2.973 -4.467 1.00 0.00 O ATOM 510 CB PRO A 37 15.481 -3.889 -5.664 1.00 0.00 C ATOM 511 CG PRO A 37 15.742 -2.382 -5.702 1.00 0.00 C ATOM 512 CD PRO A 37 14.684 -1.811 -6.651 1.00 0.00 C ATOM 0 HA PRO A 37 13.878 -4.988 -6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.657 -4.297 -4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.139 -4.423 -6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.656 -1.943 -4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.749 -2.166 -6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.196 -0.943 -6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.139 -1.480 -7.584 1.00 0.00 H new ATOM 520 N PRO A 38 12.669 -5.231 -4.376 1.00 0.00 N ATOM 521 CA PRO A 38 11.507 -5.381 -3.520 1.00 0.00 C ATOM 522 C PRO A 38 11.587 -4.431 -2.337 1.00 0.00 C ATOM 523 O PRO A 38 10.606 -3.772 -2.018 1.00 0.00 O ATOM 524 CB PRO A 38 11.425 -6.851 -3.113 1.00 0.00 C ATOM 525 CG PRO A 38 12.813 -7.410 -3.419 1.00 0.00 C ATOM 526 CD PRO A 38 13.350 -6.505 -4.532 1.00 0.00 C ATOM 0 HA PRO A 38 10.589 -5.113 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.178 -6.957 -2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.653 -7.376 -3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.456 -7.382 -2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.760 -8.450 -3.742 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.430 -6.383 -4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.153 -6.935 -5.514 1.00 0.00 H new ATOM 534 N GLU A 39 12.760 -4.298 -1.723 1.00 0.00 N ATOM 535 CA GLU A 39 12.866 -3.492 -0.528 1.00 0.00 C ATOM 536 C GLU A 39 12.569 -1.999 -0.725 1.00 0.00 C ATOM 537 O GLU A 39 12.121 -1.350 0.227 1.00 0.00 O ATOM 538 CB GLU A 39 14.114 -3.851 0.277 1.00 0.00 C ATOM 539 CG GLU A 39 13.992 -5.296 0.806 1.00 0.00 C ATOM 540 CD GLU A 39 12.824 -5.429 1.787 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.911 -4.843 2.888 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.748 -5.914 1.376 1.00 0.00 O ATOM 0 H GLU A 39 13.630 -4.732 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 39 12.033 -3.765 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.002 -3.756 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.234 -3.157 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.849 -5.981 -0.030 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.920 -5.585 1.300 1.00 0.00 H new ATOM 549 N GLU A 40 12.687 -1.464 -1.946 1.00 0.00 N ATOM 550 CA GLU A 40 12.182 -0.133 -2.231 1.00 0.00 C ATOM 551 C GLU A 40 10.664 -0.129 -2.429 1.00 0.00 C ATOM 552 O GLU A 40 10.024 0.896 -2.255 1.00 0.00 O ATOM 553 CB GLU A 40 12.874 0.434 -3.477 1.00 0.00 C ATOM 554 CG GLU A 40 13.451 1.823 -3.194 1.00 0.00 C ATOM 555 CD GLU A 40 12.399 2.849 -2.767 1.00 0.00 C ATOM 556 OE1 GLU A 40 11.691 3.373 -3.656 1.00 0.00 O ATOM 557 OE2 GLU A 40 12.284 3.068 -1.539 1.00 0.00 O ATOM 0 H GLU A 40 13.124 -1.933 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 40 12.405 0.496 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.671 -0.238 -3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.161 0.492 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.205 1.741 -2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.958 2.186 -4.088 1.00 0.00 H new ATOM 564 N GLN A 41 10.051 -1.235 -2.845 1.00 0.00 N ATOM 565 CA GLN A 41 8.645 -1.218 -3.224 1.00 0.00 C ATOM 566 C GLN A 41 7.788 -0.875 -2.008 1.00 0.00 C ATOM 567 O GLN A 41 7.799 -1.618 -1.027 1.00 0.00 O ATOM 568 CB GLN A 41 8.222 -2.571 -3.798 1.00 0.00 C ATOM 569 CG GLN A 41 9.077 -2.966 -5.002 1.00 0.00 C ATOM 570 CD GLN A 41 8.576 -4.242 -5.666 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.515 -4.768 -5.328 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.349 -4.736 -6.623 1.00 0.00 N ATOM 0 H GLN A 41 10.503 -2.146 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 41 8.501 -0.460 -3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.305 -3.336 -3.026 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.174 -2.529 -4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.075 -2.154 -5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.110 -3.105 -4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.220 -4.265 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.073 -5.587 -7.113 1.00 0.00 H new ATOM 581 N HIS A 42 7.041 0.227 -2.053 1.00 0.00 N ATOM 582 CA HIS A 42 6.113 0.597 -0.991 1.00 0.00 C ATOM 583 C HIS A 42 5.189 1.670 -1.556 1.00 0.00 C ATOM 584 O HIS A 42 5.666 2.446 -2.382 1.00 0.00 O ATOM 585 CB HIS A 42 6.868 1.096 0.261 1.00 0.00 C ATOM 586 CG HIS A 42 7.996 2.062 -0.036 1.00 0.00 C ATOM 587 ND1 HIS A 42 7.963 3.023 -1.025 1.00 0.00 N ATOM 588 CD2 HIS A 42 9.286 1.977 0.418 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.204 3.516 -1.177 1.00 0.00 C ATOM 590 NE2 HIS A 42 10.023 2.895 -0.313 1.00 0.00 N ATOM 0 H HIS A 42 7.064 0.888 -2.829 1.00 0.00 H new ATOM 0 HA HIS A 42 5.533 -0.267 -0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.157 1.580 0.931 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.273 0.236 0.794 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.138 3.310 -1.551 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.656 1.323 1.194 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.494 4.284 -1.878 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.023 3.070 -0.211 1.00 0.00 H new ATOM 599 N CYS A 43 3.925 1.737 -1.125 1.00 0.00 N ATOM 600 CA CYS A 43 2.878 2.583 -1.693 1.00 0.00 C ATOM 601 C CYS A 43 3.381 3.980 -2.104 1.00 0.00 C ATOM 602 O CYS A 43 3.004 4.486 -3.156 1.00 0.00 O ATOM 603 CB CYS A 43 1.686 2.673 -0.774 1.00 0.00 C ATOM 604 SG CYS A 43 0.841 1.086 -0.450 1.00 0.00 S ATOM 0 H CYS A 43 3.593 1.179 -0.338 1.00 0.00 H new ATOM 0 HA CYS A 43 2.560 2.095 -2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.010 3.096 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.966 3.370 -1.204 1.00 0.00 H new ATOM 609 N ALA A 44 4.276 4.600 -1.324 1.00 0.00 N ATOM 610 CA ALA A 44 4.936 5.859 -1.685 1.00 0.00 C ATOM 611 C ALA A 44 5.337 5.962 -3.170 1.00 0.00 C ATOM 612 O ALA A 44 5.155 7.011 -3.784 1.00 0.00 O ATOM 613 CB ALA A 44 6.180 6.073 -0.820 1.00 0.00 C ATOM 0 H ALA A 44 4.564 4.237 -0.415 1.00 0.00 H new ATOM 0 HA ALA A 44 4.193 6.636 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.660 7.011 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.891 6.111 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.877 5.249 -0.975 1.00 0.00 H new ATOM 619 N ASN A 45 5.915 4.892 -3.736 1.00 0.00 N ATOM 620 CA ASN A 45 6.393 4.831 -5.118 1.00 0.00 C ATOM 621 C ASN A 45 5.479 3.979 -6.003 1.00 0.00 C ATOM 622 O ASN A 45 5.849 3.666 -7.133 1.00 0.00 O ATOM 623 CB ASN A 45 7.851 4.329 -5.170 1.00 0.00 C ATOM 624 CG ASN A 45 8.054 2.895 -4.675 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.133 2.085 -4.618 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.262 2.558 -4.245 1.00 0.00 N ATOM 0 H ASN A 45 6.065 4.021 -3.226 1.00 0.00 H new ATOM 0 HA ASN A 45 6.367 5.844 -5.519 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.208 4.398 -6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.472 4.996 -4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.427 1.625 -3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.027 3.231 -4.293 1.00 0.00 H new ATOM 633 N CYS A 46 4.296 3.603 -5.513 1.00 0.00 N ATOM 634 CA CYS A 46 3.388 2.729 -6.233 1.00 0.00 C ATOM 635 C CYS A 46 2.598 3.521 -7.273 1.00 0.00 C ATOM 636 O CYS A 46 2.190 4.662 -7.021 1.00 0.00 O ATOM 637 CB CYS A 46 2.463 2.066 -5.260 1.00 0.00 C ATOM 638 SG CYS A 46 1.302 0.982 -6.108 1.00 0.00 S ATOM 0 H CYS A 46 3.946 3.901 -4.602 1.00 0.00 H new ATOM 0 HA CYS A 46 3.962 1.965 -6.757 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.042 1.491 -4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.915 2.824 -4.699 1.00 0.00 H new ATOM 643 N GLN A 47 2.375 2.901 -8.433 1.00 0.00 N ATOM 644 CA GLN A 47 1.609 3.416 -9.553 1.00 0.00 C ATOM 645 C GLN A 47 0.341 4.111 -9.055 1.00 0.00 C ATOM 646 O GLN A 47 0.170 5.313 -9.280 1.00 0.00 O ATOM 647 CB GLN A 47 1.363 2.283 -10.565 1.00 0.00 C ATOM 648 CG GLN A 47 0.937 2.754 -11.965 1.00 0.00 C ATOM 649 CD GLN A 47 2.025 3.464 -12.775 1.00 0.00 C ATOM 650 OE1 GLN A 47 2.181 4.678 -12.662 1.00 0.00 O ATOM 651 NE2 GLN A 47 2.759 2.778 -13.648 1.00 0.00 N ATOM 0 H GLN A 47 2.750 1.971 -8.620 1.00 0.00 H new ATOM 0 HA GLN A 47 2.167 4.186 -10.085 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.274 1.692 -10.657 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.593 1.621 -10.169 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.591 1.890 -12.532 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.087 3.428 -11.861 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.630 1.771 -13.742 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.450 3.260 -14.223 1.00 0.00 H new ATOM 660 N PHE A 48 -0.505 3.389 -8.318 1.00 0.00 N ATOM 661 CA PHE A 48 -1.862 3.834 -8.020 1.00 0.00 C ATOM 662 C PHE A 48 -2.011 4.578 -6.691 1.00 0.00 C ATOM 663 O PHE A 48 -3.143 4.856 -6.295 1.00 0.00 O ATOM 664 CB PHE A 48 -2.815 2.640 -8.063 1.00 0.00 C ATOM 665 CG PHE A 48 -2.623 1.710 -9.244 1.00 0.00 C ATOM 666 CD1 PHE A 48 -2.550 2.216 -10.555 1.00 0.00 C ATOM 667 CD2 PHE A 48 -2.444 0.337 -9.014 1.00 0.00 C ATOM 668 CE1 PHE A 48 -2.209 1.362 -11.618 1.00 0.00 C ATOM 669 CE2 PHE A 48 -2.021 -0.501 -10.061 1.00 0.00 C ATOM 670 CZ PHE A 48 -1.903 0.013 -11.364 1.00 0.00 C ATOM 0 H PHE A 48 -0.267 2.483 -7.914 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.116 4.562 -8.791 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.696 2.066 -7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.839 3.012 -8.075 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.756 3.259 -10.744 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.631 -0.076 -8.034 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.182 1.741 -12.629 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.787 -1.537 -9.865 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.577 -0.628 -12.170 1.00 0.00 H new ATOM 680 N MET A 49 -0.910 4.910 -6.007 1.00 0.00 N ATOM 681 CA MET A 49 -0.982 5.748 -4.813 1.00 0.00 C ATOM 682 C MET A 49 -1.440 7.156 -5.207 1.00 0.00 C ATOM 683 O MET A 49 -0.957 7.687 -6.211 1.00 0.00 O ATOM 684 CB MET A 49 0.383 5.761 -4.112 1.00 0.00 C ATOM 685 CG MET A 49 0.400 6.618 -2.838 1.00 0.00 C ATOM 686 SD MET A 49 0.610 8.406 -3.060 1.00 0.00 S ATOM 687 CE MET A 49 2.343 8.499 -3.557 1.00 0.00 C ATOM 0 H MET A 49 0.032 4.612 -6.260 1.00 0.00 H new ATOM 0 HA MET A 49 -1.711 5.345 -4.109 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.664 4.739 -3.858 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.136 6.136 -4.805 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.534 6.449 -2.302 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.205 6.258 -2.197 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.641 9.544 -3.643 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.963 8.005 -2.809 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.472 8.005 -4.520 1.00 0.00 H new ATOM 697 N GLN A 50 -2.347 7.747 -4.424 1.00 0.00 N ATOM 698 CA GLN A 50 -2.908 9.076 -4.635 1.00 0.00 C ATOM 699 C GLN A 50 -2.742 9.908 -3.358 1.00 0.00 C ATOM 700 O GLN A 50 -3.193 9.510 -2.282 1.00 0.00 O ATOM 701 CB GLN A 50 -4.381 8.945 -5.035 1.00 0.00 C ATOM 702 CG GLN A 50 -4.499 8.177 -6.359 1.00 0.00 C ATOM 703 CD GLN A 50 -5.903 8.177 -6.955 1.00 0.00 C ATOM 704 OE1 GLN A 50 -6.059 8.196 -8.174 1.00 0.00 O ATOM 705 NE2 GLN A 50 -6.936 8.096 -6.123 1.00 0.00 N ATOM 0 H GLN A 50 -2.723 7.290 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.381 9.587 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.934 8.425 -4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.828 9.934 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.809 8.612 -7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.184 7.146 -6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.779 8.082 -5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.886 8.048 -6.492 1.00 0.00 H new ATOM 714 N ALA A 51 -2.077 11.059 -3.480 1.00 0.00 N ATOM 715 CA ALA A 51 -1.827 12.009 -2.396 1.00 0.00 C ATOM 716 C ALA A 51 -2.916 13.080 -2.341 1.00 0.00 C ATOM 717 O ALA A 51 -3.245 13.596 -1.277 1.00 0.00 O ATOM 718 CB ALA A 51 -0.433 12.615 -2.548 1.00 0.00 C ATOM 0 H ALA A 51 -1.684 11.365 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.861 11.479 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.253 13.322 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.314 11.822 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.364 13.134 -3.504 1.00 0.00 H new ATOM 724 N ASP A 52 -3.495 13.356 -3.504 1.00 0.00 N ATOM 725 CA ASP A 52 -4.681 14.156 -3.762 1.00 0.00 C ATOM 726 C ASP A 52 -5.936 13.595 -3.080 1.00 0.00 C ATOM 727 O ASP A 52 -6.939 14.298 -2.975 1.00 0.00 O ATOM 728 CB ASP A 52 -4.880 14.172 -5.286 1.00 0.00 C ATOM 729 CG ASP A 52 -4.884 12.757 -5.864 1.00 0.00 C ATOM 730 OD1 ASP A 52 -3.789 12.143 -5.818 1.00 0.00 O ATOM 731 OD2 ASP A 52 -5.969 12.297 -6.270 1.00 0.00 O ATOM 0 H ASP A 52 -3.106 12.988 -4.372 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.536 15.156 -3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.821 14.667 -5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.085 14.755 -5.752 1.00 0.00 H new ATOM 736 N ALA A 53 -5.900 12.341 -2.622 1.00 0.00 N ATOM 737 CA ALA A 53 -7.032 11.697 -1.979 1.00 0.00 C ATOM 738 C ALA A 53 -7.432 12.439 -0.702 1.00 0.00 C ATOM 739 O ALA A 53 -6.807 12.266 0.344 1.00 0.00 O ATOM 740 CB ALA A 53 -6.678 10.243 -1.677 1.00 0.00 C ATOM 0 H ALA A 53 -5.075 11.745 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.889 11.725 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.525 9.755 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.443 9.725 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.813 10.209 -1.014 1.00 0.00 H new ATOM 746 N ALA A 54 -8.492 13.247 -0.783 1.00 0.00 N ATOM 747 CA ALA A 54 -9.054 13.957 0.356 1.00 0.00 C ATOM 748 C ALA A 54 -9.247 12.997 1.531 1.00 0.00 C ATOM 749 O ALA A 54 -9.905 11.969 1.388 1.00 0.00 O ATOM 750 CB ALA A 54 -10.384 14.603 -0.033 1.00 0.00 C ATOM 0 H ALA A 54 -8.987 13.425 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.363 14.743 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.797 15.132 0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.222 15.307 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.083 13.831 -0.354 1.00 0.00 H new ATOM 756 N GLY A 55 -8.641 13.323 2.675 1.00 0.00 N ATOM 757 CA GLY A 55 -8.588 12.453 3.841 1.00 0.00 C ATOM 758 C GLY A 55 -7.156 12.010 4.138 1.00 0.00 C ATOM 759 O GLY A 55 -6.833 11.765 5.298 1.00 0.00 O ATOM 0 H GLY A 55 -8.167 14.215 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.996 12.975 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.215 11.577 3.673 1.00 0.00 H new ATOM 763 N ALA A 56 -6.303 11.909 3.112 1.00 0.00 N ATOM 764 CA ALA A 56 -4.882 11.619 3.249 1.00 0.00 C ATOM 765 C ALA A 56 -4.258 12.472 4.360 1.00 0.00 C ATOM 766 O ALA A 56 -4.489 13.680 4.398 1.00 0.00 O ATOM 767 CB ALA A 56 -4.193 11.894 1.908 1.00 0.00 C ATOM 0 H ALA A 56 -6.595 12.031 2.142 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.749 10.572 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.128 11.681 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.628 11.257 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.333 12.940 1.635 1.00 0.00 H new ATOM 773 N THR A 57 -3.485 11.850 5.258 1.00 0.00 N ATOM 774 CA THR A 57 -2.896 12.530 6.409 1.00 0.00 C ATOM 775 C THR A 57 -1.383 12.659 6.257 1.00 0.00 C ATOM 776 O THR A 57 -0.901 13.087 5.207 1.00 0.00 O ATOM 777 CB THR A 57 -3.389 11.948 7.753 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.781 10.720 8.073 1.00 0.00 O ATOM 779 CG2 THR A 57 -4.897 11.710 7.770 1.00 0.00 C ATOM 0 H THR A 57 -3.252 10.858 5.203 1.00 0.00 H new ATOM 0 HA THR A 57 -3.261 13.557 6.433 1.00 0.00 H new ATOM 0 HB THR A 57 -3.114 12.706 8.487 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.334 10.793 8.942 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.190 11.301 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.416 12.654 7.603 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.163 11.005 6.982 1.00 0.00 H new ATOM 787 N ASP A 58 -0.630 12.289 7.288 1.00 0.00 N ATOM 788 CA ASP A 58 0.788 12.368 7.416 1.00 0.00 C ATOM 789 C ASP A 58 1.339 11.183 6.620 1.00 0.00 C ATOM 790 O ASP A 58 1.740 11.337 5.462 1.00 0.00 O ATOM 791 CB ASP A 58 1.166 12.339 8.921 1.00 0.00 C ATOM 792 CG ASP A 58 0.097 12.167 10.009 1.00 0.00 C ATOM 793 OD1 ASP A 58 -0.961 11.545 9.757 1.00 0.00 O ATOM 794 OD2 ASP A 58 0.396 12.501 11.177 1.00 0.00 O ATOM 0 H ASP A 58 -1.056 11.891 8.125 1.00 0.00 H new ATOM 0 HA ASP A 58 1.214 13.292 7.024 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.886 11.531 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.690 13.271 9.135 1.00 0.00 H new ATOM 799 N GLU A 59 1.253 9.971 7.176 1.00 0.00 N ATOM 800 CA GLU A 59 1.781 8.776 6.571 1.00 0.00 C ATOM 801 C GLU A 59 0.768 8.207 5.585 1.00 0.00 C ATOM 802 O GLU A 59 1.060 7.224 4.909 1.00 0.00 O ATOM 803 CB GLU A 59 2.066 7.738 7.665 1.00 0.00 C ATOM 804 CG GLU A 59 2.809 8.267 8.907 1.00 0.00 C ATOM 805 CD GLU A 59 1.861 8.731 10.007 1.00 0.00 C ATOM 806 OE1 GLU A 59 0.728 9.137 9.669 1.00 0.00 O ATOM 807 OE2 GLU A 59 2.239 8.715 11.199 1.00 0.00 O ATOM 0 H GLU A 59 0.803 9.805 8.076 1.00 0.00 H new ATOM 0 HA GLU A 59 2.703 9.015 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.118 7.306 7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.653 6.929 7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.457 7.483 9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.453 9.096 8.614 1.00 0.00 H new ATOM 814 N TRP A 60 -0.444 8.774 5.543 1.00 0.00 N ATOM 815 CA TRP A 60 -1.583 8.068 4.998 1.00 0.00 C ATOM 816 C TRP A 60 -2.056 8.726 3.719 1.00 0.00 C ATOM 817 O TRP A 60 -2.094 9.957 3.659 1.00 0.00 O ATOM 818 CB TRP A 60 -2.663 8.007 6.061 1.00 0.00 C ATOM 819 CG TRP A 60 -2.235 7.285 7.290 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.562 7.839 8.317 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.390 5.877 7.626 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.272 6.875 9.252 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.796 5.654 8.902 1.00 0.00 C ATOM 824 CE3 TRP A 60 -3.002 4.771 7.001 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.850 4.415 9.550 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -3.037 3.513 7.628 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.525 3.356 8.928 1.00 0.00 C ATOM 0 H TRP A 60 -0.649 9.714 5.881 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.309 7.048 4.729 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.959 9.022 6.328 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.544 7.516 5.647 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.292 8.882 8.394 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.734 7.045 10.102 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.451 4.892 6.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.380 4.277 10.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.459 2.665 7.109 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.652 2.418 9.448 1.00 0.00 H new ATOM 838 N LYS A 61 -2.330 7.913 2.700 1.00 0.00 N ATOM 839 CA LYS A 61 -2.683 8.332 1.352 1.00 0.00 C ATOM 840 C LYS A 61 -3.833 7.461 0.836 1.00 0.00 C ATOM 841 O LYS A 61 -4.249 6.515 1.504 1.00 0.00 O ATOM 842 CB LYS A 61 -1.440 8.255 0.436 1.00 0.00 C ATOM 843 CG LYS A 61 -0.723 9.606 0.301 1.00 0.00 C ATOM 844 CD LYS A 61 0.213 9.974 1.462 1.00 0.00 C ATOM 845 CE LYS A 61 0.025 11.427 1.940 1.00 0.00 C ATOM 846 NZ LYS A 61 0.072 11.525 3.411 1.00 0.00 N ATOM 0 H LYS A 61 -2.310 6.898 2.800 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.021 9.368 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.744 7.517 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.742 7.908 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.144 9.600 -0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.475 10.389 0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.035 9.295 2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.247 9.830 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.803 12.056 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.930 11.808 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.240 12.472 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.556 10.808 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.046 11.364 3.739 1.00 0.00 H new ATOM 860 N GLY A 62 -4.356 7.781 -0.347 1.00 0.00 N ATOM 861 CA GLY A 62 -5.345 6.951 -1.016 1.00 0.00 C ATOM 862 C GLY A 62 -4.642 5.975 -1.954 1.00 0.00 C ATOM 863 O GLY A 62 -3.509 6.228 -2.370 1.00 0.00 O ATOM 0 H GLY A 62 -4.103 8.623 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.934 6.404 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.039 7.576 -1.578 1.00 0.00 H new ATOM 867 N CYS A 63 -5.323 4.884 -2.309 1.00 0.00 N ATOM 868 CA CYS A 63 -4.904 3.959 -3.350 1.00 0.00 C ATOM 869 C CYS A 63 -6.137 3.648 -4.198 1.00 0.00 C ATOM 870 O CYS A 63 -7.213 3.404 -3.650 1.00 0.00 O ATOM 871 CB CYS A 63 -4.291 2.726 -2.741 1.00 0.00 C ATOM 872 SG CYS A 63 -3.971 1.540 -4.061 1.00 0.00 S ATOM 0 H CYS A 63 -6.202 4.617 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.132 4.393 -3.985 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.365 2.978 -2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.963 2.295 -1.999 1.00 0.00 H new ATOM 877 N GLN A 64 -6.003 3.721 -5.526 1.00 0.00 N ATOM 878 CA GLN A 64 -7.134 3.635 -6.450 1.00 0.00 C ATOM 879 C GLN A 64 -8.020 2.422 -6.169 1.00 0.00 C ATOM 880 O GLN A 64 -9.238 2.548 -6.063 1.00 0.00 O ATOM 881 CB GLN A 64 -6.638 3.608 -7.899 1.00 0.00 C ATOM 882 CG GLN A 64 -6.079 4.991 -8.258 1.00 0.00 C ATOM 883 CD GLN A 64 -5.541 5.090 -9.679 1.00 0.00 C ATOM 884 OE1 GLN A 64 -5.258 4.088 -10.325 1.00 0.00 O ATOM 885 NE2 GLN A 64 -5.385 6.313 -10.174 1.00 0.00 N ATOM 0 H GLN A 64 -5.103 3.842 -5.990 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.745 4.524 -6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.867 2.847 -8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.454 3.345 -8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.864 5.735 -8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.281 5.242 -7.560 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.630 7.127 -9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.020 6.438 -11.118 1.00 0.00 H new ATOM 894 N LEU A 65 -7.405 1.247 -6.029 1.00 0.00 N ATOM 895 CA LEU A 65 -8.122 0.002 -5.787 1.00 0.00 C ATOM 896 C LEU A 65 -8.401 -0.226 -4.295 1.00 0.00 C ATOM 897 O LEU A 65 -8.670 -1.352 -3.884 1.00 0.00 O ATOM 898 CB LEU A 65 -7.405 -1.166 -6.490 1.00 0.00 C ATOM 899 CG LEU A 65 -5.895 -1.317 -6.220 1.00 0.00 C ATOM 900 CD1 LEU A 65 -5.595 -1.734 -4.778 1.00 0.00 C ATOM 901 CD2 LEU A 65 -5.329 -2.377 -7.170 1.00 0.00 C ATOM 0 H LEU A 65 -6.392 1.135 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.114 0.069 -6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.897 -2.093 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.549 -1.056 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.430 -0.345 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.517 -1.826 -4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.984 -0.981 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.070 -2.693 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.260 -2.494 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.833 -3.328 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.491 -2.065 -8.202 1.00 0.00 H new ATOM 913 N PHE A 66 -8.362 0.840 -3.485 1.00 0.00 N ATOM 914 CA PHE A 66 -8.537 0.790 -2.040 1.00 0.00 C ATOM 915 C PHE A 66 -9.448 1.954 -1.614 1.00 0.00 C ATOM 916 O PHE A 66 -9.018 2.863 -0.908 1.00 0.00 O ATOM 917 CB PHE A 66 -7.129 0.834 -1.404 1.00 0.00 C ATOM 918 CG PHE A 66 -6.772 -0.291 -0.453 1.00 0.00 C ATOM 919 CD1 PHE A 66 -7.661 -0.705 0.557 1.00 0.00 C ATOM 920 CD2 PHE A 66 -5.491 -0.869 -0.532 1.00 0.00 C ATOM 921 CE1 PHE A 66 -7.295 -1.748 1.427 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.112 -1.883 0.361 1.00 0.00 C ATOM 923 CZ PHE A 66 -6.030 -2.350 1.316 1.00 0.00 C ATOM 0 H PHE A 66 -8.203 1.785 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.026 -0.123 -1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.393 0.845 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.028 1.777 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.622 -0.223 0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.795 -0.530 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.988 -2.087 2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.118 -2.303 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.764 -3.171 1.965 1.00 0.00 H new ATOM 933 N PRO A 67 -10.716 1.965 -2.060 1.00 0.00 N ATOM 934 CA PRO A 67 -11.587 3.120 -1.915 1.00 0.00 C ATOM 935 C PRO A 67 -12.077 3.280 -0.478 1.00 0.00 C ATOM 936 O PRO A 67 -12.217 2.306 0.260 1.00 0.00 O ATOM 937 CB PRO A 67 -12.757 2.871 -2.868 1.00 0.00 C ATOM 938 CG PRO A 67 -12.842 1.346 -2.920 1.00 0.00 C ATOM 939 CD PRO A 67 -11.381 0.907 -2.802 1.00 0.00 C ATOM 0 HA PRO A 67 -11.059 4.044 -2.152 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.681 3.314 -2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.572 3.298 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.448 0.949 -2.106 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.292 1.000 -3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.299 -0.048 -2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.930 0.775 -3.786 1.00 0.00 H new ATOM 947 N GLY A 68 -12.338 4.526 -0.076 1.00 0.00 N ATOM 948 CA GLY A 68 -12.896 4.885 1.223 1.00 0.00 C ATOM 949 C GLY A 68 -11.837 4.859 2.324 1.00 0.00 C ATOM 950 O GLY A 68 -11.754 5.769 3.145 1.00 0.00 O ATOM 0 H GLY A 68 -12.160 5.337 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.337 5.880 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.700 4.194 1.476 1.00 0.00 H new ATOM 954 N LYS A 69 -11.043 3.791 2.344 1.00 0.00 N ATOM 955 CA LYS A 69 -9.963 3.589 3.295 1.00 0.00 C ATOM 956 C LYS A 69 -8.745 4.403 2.837 1.00 0.00 C ATOM 957 O LYS A 69 -8.672 4.806 1.677 1.00 0.00 O ATOM 958 CB LYS A 69 -9.615 2.091 3.405 1.00 0.00 C ATOM 959 CG LYS A 69 -10.776 1.163 3.009 1.00 0.00 C ATOM 960 CD LYS A 69 -10.579 -0.267 3.520 1.00 0.00 C ATOM 961 CE LYS A 69 -11.596 -1.203 2.848 1.00 0.00 C ATOM 962 NZ LYS A 69 -11.446 -2.593 3.316 1.00 0.00 N ATOM 0 H LYS A 69 -11.139 3.024 1.679 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.273 3.928 4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.756 1.878 2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.316 1.869 4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.709 1.563 3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.872 1.148 1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.564 -0.603 3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.703 -0.297 4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.607 -0.854 3.059 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.466 -1.167 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.565 -3.244 2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.500 -2.720 3.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.168 -2.796 4.037 1.00 0.00 H new ATOM 976 N LEU A 70 -7.774 4.619 3.726 1.00 0.00 N ATOM 977 CA LEU A 70 -6.497 5.232 3.398 1.00 0.00 C ATOM 978 C LEU A 70 -5.396 4.213 3.659 1.00 0.00 C ATOM 979 O LEU A 70 -5.331 3.620 4.739 1.00 0.00 O ATOM 980 CB LEU A 70 -6.268 6.487 4.245 1.00 0.00 C ATOM 981 CG LEU A 70 -7.305 7.586 3.973 1.00 0.00 C ATOM 982 CD1 LEU A 70 -7.178 8.642 5.072 1.00 0.00 C ATOM 983 CD2 LEU A 70 -7.099 8.252 2.605 1.00 0.00 C ATOM 0 H LEU A 70 -7.860 4.366 4.710 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.491 5.531 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.299 6.218 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.270 6.878 4.045 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.296 7.133 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.906 9.435 4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.365 8.182 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.173 9.063 5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.856 9.022 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.108 8.705 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.186 7.502 1.819 1.00 0.00 H new ATOM 995 N ILE A 71 -4.537 4.010 2.663 1.00 0.00 N ATOM 996 CA ILE A 71 -3.334 3.211 2.797 1.00 0.00 C ATOM 997 C ILE A 71 -2.272 4.044 3.505 1.00 0.00 C ATOM 998 O ILE A 71 -2.440 5.248 3.695 1.00 0.00 O ATOM 999 CB ILE A 71 -2.832 2.778 1.413 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -2.693 3.991 0.480 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.765 1.728 0.804 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -1.502 3.821 -0.448 1.00 0.00 C ATOM 0 H ILE A 71 -4.664 4.403 1.730 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.548 2.315 3.379 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.846 2.329 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.604 4.111 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.573 4.899 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.391 1.434 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.803 0.854 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.766 2.147 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.422 4.691 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.591 3.725 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.638 2.925 -1.054 1.00 0.00 H new ATOM 1014 N ASN A 72 -1.155 3.407 3.853 1.00 0.00 N ATOM 1015 CA ASN A 72 0.005 4.057 4.429 1.00 0.00 C ATOM 1016 C ASN A 72 1.111 4.009 3.379 1.00 0.00 C ATOM 1017 O ASN A 72 1.345 2.941 2.820 1.00 0.00 O ATOM 1018 CB ASN A 72 0.399 3.284 5.687 1.00 0.00 C ATOM 1019 CG ASN A 72 1.526 3.954 6.459 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.491 4.437 5.873 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.413 3.964 7.785 1.00 0.00 N ATOM 0 H ASN A 72 -1.036 2.401 3.737 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.187 5.094 4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.472 3.185 6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.705 2.276 5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.146 4.385 8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.593 3.551 8.230 1.00 0.00 H new ATOM 1028 N VAL A 73 1.789 5.130 3.121 1.00 0.00 N ATOM 1029 CA VAL A 73 2.879 5.229 2.143 1.00 0.00 C ATOM 1030 C VAL A 73 3.916 4.122 2.312 1.00 0.00 C ATOM 1031 O VAL A 73 4.525 3.658 1.347 1.00 0.00 O ATOM 1032 CB VAL A 73 3.575 6.596 2.247 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.571 7.693 1.939 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.244 6.876 3.602 1.00 0.00 C ATOM 0 H VAL A 73 1.593 6.012 3.594 1.00 0.00 H new ATOM 0 HA VAL A 73 2.425 5.117 1.158 1.00 0.00 H new ATOM 0 HB VAL A 73 4.385 6.578 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.060 8.665 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.182 7.557 0.930 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.750 7.646 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.708 7.862 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.493 6.845 4.392 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.005 6.120 3.795 1.00 0.00 H new ATOM 1044 N ASN A 74 4.142 3.755 3.569 1.00 0.00 N ATOM 1045 CA ASN A 74 5.129 2.757 3.965 1.00 0.00 C ATOM 1046 C ASN A 74 4.689 1.322 3.674 1.00 0.00 C ATOM 1047 O ASN A 74 5.518 0.419 3.784 1.00 0.00 O ATOM 1048 CB ASN A 74 5.415 2.893 5.466 1.00 0.00 C ATOM 1049 CG ASN A 74 6.094 4.213 5.807 1.00 0.00 C ATOM 1050 OD1 ASN A 74 5.494 5.103 6.399 1.00 0.00 O ATOM 1051 ND2 ASN A 74 7.363 4.361 5.434 1.00 0.00 N ATOM 0 H ASN A 74 3.633 4.152 4.358 1.00 0.00 H new ATOM 0 HA ASN A 74 6.023 2.947 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.480 2.814 6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.048 2.067 5.789 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.857 5.229 5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.841 3.606 4.942 1.00 0.00 H new ATOM 1058 N GLY A 75 3.417 1.093 3.338 1.00 0.00 N ATOM 1059 CA GLY A 75 2.904 -0.245 3.097 1.00 0.00 C ATOM 1060 C GLY A 75 3.265 -0.751 1.707 1.00 0.00 C ATOM 1061 O GLY A 75 3.948 -0.064 0.955 1.00 0.00 O ATOM 0 H GLY A 75 2.722 1.831 3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.304 -0.927 3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.820 -0.244 3.213 1.00 0.00 H new ATOM 1065 N TRP A 76 2.813 -1.958 1.373 1.00 0.00 N ATOM 1066 CA TRP A 76 2.911 -2.565 0.050 1.00 0.00 C ATOM 1067 C TRP A 76 1.684 -3.452 -0.106 1.00 0.00 C ATOM 1068 O TRP A 76 1.192 -3.932 0.917 1.00 0.00 O ATOM 1069 CB TRP A 76 4.187 -3.415 -0.028 1.00 0.00 C ATOM 1070 CG TRP A 76 4.473 -4.112 -1.330 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.374 -3.685 -2.238 1.00 0.00 C ATOM 1072 CD2 TRP A 76 4.014 -5.411 -1.825 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.516 -4.613 -3.248 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.689 -5.695 -3.051 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.145 -6.410 -1.339 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.510 -6.895 -3.754 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 3.025 -7.653 -1.987 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.700 -7.894 -3.196 1.00 0.00 C ATOM 0 H TRP A 76 2.348 -2.565 2.048 1.00 0.00 H new ATOM 0 HA TRP A 76 2.955 -1.812 -0.737 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.036 -2.771 0.204 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.137 -4.171 0.756 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.909 -2.748 -2.182 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.152 -4.511 -4.039 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.560 -6.217 -0.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.989 -7.047 -4.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.410 -8.427 -1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.595 -8.847 -3.694 1.00 0.00 H new ATOM 1089 N CYS A 77 1.227 -3.686 -1.346 1.00 0.00 N ATOM 1090 CA CYS A 77 0.247 -4.709 -1.690 1.00 0.00 C ATOM 1091 C CYS A 77 0.673 -5.447 -2.965 1.00 0.00 C ATOM 1092 O CYS A 77 1.514 -4.959 -3.721 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.148 -4.145 -1.821 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.439 -3.468 -3.478 1.00 0.00 S ATOM 0 H CYS A 77 1.542 -3.150 -2.154 1.00 0.00 H new ATOM 0 HA CYS A 77 0.215 -5.424 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.879 -4.927 -1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.297 -3.363 -1.076 1.00 0.00 H new ATOM 1099 N ALA A 78 0.081 -6.627 -3.181 1.00 0.00 N ATOM 1100 CA ALA A 78 0.332 -7.546 -4.284 1.00 0.00 C ATOM 1101 C ALA A 78 0.424 -6.819 -5.619 1.00 0.00 C ATOM 1102 O ALA A 78 1.325 -7.079 -6.415 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.771 -8.607 -4.330 1.00 0.00 C ATOM 0 H ALA A 78 -0.632 -6.984 -2.545 1.00 0.00 H new ATOM 0 HA ALA A 78 1.295 -8.026 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.582 -9.293 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.781 -9.162 -3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.736 -8.122 -4.475 1.00 0.00 H new ATOM 1109 N SER A 79 -0.523 -5.917 -5.871 1.00 0.00 N ATOM 1110 CA SER A 79 -0.586 -5.142 -7.090 1.00 0.00 C ATOM 1111 C SER A 79 0.725 -4.391 -7.332 1.00 0.00 C ATOM 1112 O SER A 79 1.228 -4.391 -8.458 1.00 0.00 O ATOM 1113 CB SER A 79 -1.768 -4.173 -6.980 1.00 0.00 C ATOM 1114 OG SER A 79 -2.859 -4.841 -6.367 1.00 0.00 O ATOM 0 H SER A 79 -1.277 -5.707 -5.217 1.00 0.00 H new ATOM 0 HA SER A 79 -0.732 -5.804 -7.943 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.485 -3.299 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.054 -3.815 -7.969 1.00 0.00 H new ATOM 0 HG SER A 79 -3.400 -4.194 -5.868 1.00 0.00 H new ATOM 1120 N TRP A 80 1.260 -3.750 -6.283 1.00 0.00 N ATOM 1121 CA TRP A 80 2.253 -2.681 -6.357 1.00 0.00 C ATOM 1122 C TRP A 80 2.246 -2.009 -7.734 1.00 0.00 C ATOM 1123 O TRP A 80 1.221 -1.436 -8.097 1.00 0.00 O ATOM 1124 CB TRP A 80 3.622 -3.155 -5.850 1.00 0.00 C ATOM 1125 CG TRP A 80 4.683 -2.094 -5.842 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.660 -0.963 -5.101 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.859 -1.985 -6.698 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.726 -0.159 -5.453 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.486 -0.730 -6.450 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.432 -2.806 -7.692 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.624 -0.311 -7.152 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.574 -2.397 -8.400 1.00 0.00 C ATOM 1133 CH2 TRP A 80 8.177 -1.160 -8.123 1.00 0.00 C ATOM 0 H TRP A 80 0.999 -3.975 -5.323 1.00 0.00 H new ATOM 0 HA TRP A 80 1.977 -1.881 -5.669 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.506 -3.543 -4.838 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.959 -3.984 -6.473 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.922 -0.725 -4.350 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.926 0.746 -5.027 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.985 -3.764 -7.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 8.069 0.652 -6.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.991 -3.038 -9.162 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.067 -0.862 -8.657 1.00 0.00 H new ATOM 1144 N THR A 81 3.305 -2.191 -8.538 1.00 0.00 N ATOM 1145 CA THR A 81 3.549 -1.523 -9.817 1.00 0.00 C ATOM 1146 C THR A 81 4.242 -0.185 -9.522 1.00 0.00 C ATOM 1147 O THR A 81 3.816 0.521 -8.617 1.00 0.00 O ATOM 1148 CB THR A 81 2.244 -1.383 -10.629 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.505 -2.590 -10.563 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.494 -1.050 -12.091 1.00 0.00 C ATOM 0 H THR A 81 4.051 -2.843 -8.297 1.00 0.00 H new ATOM 0 HA THR A 81 4.208 -2.117 -10.451 1.00 0.00 H new ATOM 0 HB THR A 81 1.687 -0.558 -10.185 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.677 -2.495 -11.079 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.541 -0.964 -12.613 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.033 -0.105 -12.162 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.087 -1.842 -12.548 1.00 0.00 H new ATOM 1158 N LEU A 82 5.334 0.155 -10.211 1.00 0.00 N ATOM 1159 CA LEU A 82 6.108 1.366 -9.941 1.00 0.00 C ATOM 1160 C LEU A 82 5.325 2.568 -10.487 1.00 0.00 C ATOM 1161 O LEU A 82 4.637 2.438 -11.495 1.00 0.00 O ATOM 1162 CB LEU A 82 7.466 1.234 -10.661 1.00 0.00 C ATOM 1163 CG LEU A 82 8.708 1.914 -10.047 1.00 0.00 C ATOM 1164 CD1 LEU A 82 9.764 2.053 -11.150 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.493 3.283 -9.405 1.00 0.00 C ATOM 0 H LEU A 82 5.707 -0.407 -10.976 1.00 0.00 H new ATOM 0 HA LEU A 82 6.277 1.504 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.686 0.171 -10.756 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.342 1.625 -11.671 1.00 0.00 H new ATOM 0 HG LEU A 82 9.012 1.268 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.655 2.532 -10.743 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.025 1.065 -11.531 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.364 2.661 -11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.440 3.653 -9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.113 3.980 -10.152 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.772 3.195 -8.592 1.00 0.00 H new ATOM 1177 N LYS A 83 5.427 3.755 -9.885 1.00 0.00 N ATOM 1178 CA LYS A 83 5.009 4.981 -10.552 1.00 0.00 C ATOM 1179 C LYS A 83 5.759 5.125 -11.878 1.00 0.00 C ATOM 1180 O LYS A 83 6.982 5.216 -11.911 1.00 0.00 O ATOM 1181 CB LYS A 83 5.118 6.204 -9.619 1.00 0.00 C ATOM 1182 CG LYS A 83 3.703 6.703 -9.284 1.00 0.00 C ATOM 1183 CD LYS A 83 3.669 7.676 -8.102 1.00 0.00 C ATOM 1184 CE LYS A 83 2.240 8.170 -7.806 1.00 0.00 C ATOM 1185 NZ LYS A 83 1.273 7.070 -7.590 1.00 0.00 N ATOM 0 H LYS A 83 5.794 3.889 -8.943 1.00 0.00 H new ATOM 0 HA LYS A 83 3.949 4.924 -10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.649 5.935 -8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.693 6.995 -10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.281 7.193 -10.161 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.067 5.847 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.075 7.186 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.311 8.530 -8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.259 8.807 -6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.897 8.788 -8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.468 7.420 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.933 6.722 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.738 6.294 -7.077 1.00 0.00 H new ATOM 1199 N ALA A 84 4.997 5.094 -12.972 1.00 0.00 N ATOM 1200 CA ALA A 84 5.473 4.990 -14.337 1.00 0.00 C ATOM 1201 C ALA A 84 6.312 3.728 -14.577 1.00 0.00 C ATOM 1202 O ALA A 84 7.260 3.744 -15.361 1.00 0.00 O ATOM 1203 CB ALA A 84 6.154 6.296 -14.723 1.00 0.00 C ATOM 0 H ALA A 84 3.980 5.144 -12.919 1.00 0.00 H new ATOM 0 HA ALA A 84 4.628 4.854 -15.012 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.516 6.228 -15.749 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.440 7.116 -14.644 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.994 6.480 -14.053 1.00 0.00 H new ATOM 1209 N GLY A 85 5.903 2.621 -13.955 1.00 0.00 N ATOM 1210 CA GLY A 85 6.319 1.269 -14.277 1.00 0.00 C ATOM 1211 C GLY A 85 5.257 0.335 -13.699 1.00 0.00 C ATOM 1212 O GLY A 85 4.086 0.508 -14.113 1.00 0.00 O ATOM 1213 OXT GLY A 85 5.605 -0.482 -12.814 1.00 0.00 O ATOM 0 H GLY A 85 5.242 2.652 -13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.405 1.137 -15.356 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.298 1.053 -13.850 1.00 0.00 H new TER 1217 GLY A 85 HETATM 1218 FE1 SF4 A 86 -0.123 0.491 -2.175 1.00 0.00 FE HETATM 1219 FE2 SF4 A 86 0.102 0.401 -4.632 1.00 0.00 FE HETATM 1220 FE3 SF4 A 86 -2.156 0.695 -3.671 1.00 0.00 FE HETATM 1221 FE4 SF4 A 86 -1.018 -1.481 -3.438 1.00 0.00 FE HETATM 1222 S1 SF4 A 86 -1.660 -0.607 -5.301 1.00 0.00 S HETATM 1223 S2 SF4 A 86 -2.055 -0.464 -1.843 1.00 0.00 S HETATM 1224 S3 SF4 A 86 1.077 -0.954 -3.245 1.00 0.00 S HETATM 1225 S4 SF4 A 86 -0.552 2.121 -3.526 1.00 0.00 S