USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 863 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 1 MET N :NH3+ -175:sc= -0.229 (180deg=-0.238) USER MOD Set 1.2: A 2 THR OG1 : rot 180:sc= 0.0715 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -3.78! K(o=-3.8!,f=-2.7) USER MOD Single : A 7 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.4!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 55:sc= 0.0142 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.177 USER MOD Single : A 22 GLN : amide:sc= -0.612 K(o=-0.61,f=-3.6!) USER MOD Single : A 23 MET CE :methyl -108:sc= -0.0117 (180deg=-0.277) USER MOD Single : A 26 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.041) USER MOD Single : A 27 GLN : amide:sc= -0.837 K(o=-0.84,f=-2.6!) USER MOD Single : A 32 THR OG1 : rot -75:sc= -3.5! USER MOD Single : A 35 GLN : amide:sc= -0.395 K(o=-0.39,f=-3.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.081) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.33 (180deg=-1.39!) USER MOD Single : A 47 SER OG : rot 172:sc= 0.446 USER MOD Single : A 48 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.752 K(o=-0.75,f=-2.2) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -1:sc= 0.891 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= -2 (180deg=-2.13) USER MOD Single : A 67 SER OG : rot -36:sc= 0.81 USER MOD Single : A 68 GLN : amide:sc= -10! K(o=-10!,f=-0.25) USER MOD Single : A 70 THR OG1 : rot 12:sc= 0.311! USER MOD Single : A 73 THR OG1 : rot -10:sc= -0.298 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.634 K(o=-0.63,f=-1.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= -2.83! (180deg=-3.49!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0904 USER MOD Single : A 96 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-2.5!) USER MOD Single : A 98 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.32) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -1.02! K(o=-1!,f=-0.0086) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot -63:sc= 1.02 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -2.31! C(o=-2.3!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.706 11.158 38.480 1.00 0.00 N ATOM 2 CA MET A 1 -4.280 10.840 38.184 1.00 0.00 C ATOM 3 C MET A 1 -3.850 11.579 36.922 1.00 0.00 C ATOM 4 O MET A 1 -2.678 11.554 36.545 1.00 0.00 O ATOM 5 CB MET A 1 -4.128 9.332 37.983 1.00 0.00 C ATOM 6 CG MET A 1 -2.724 9.027 37.458 1.00 0.00 C ATOM 7 SD MET A 1 -1.501 9.911 38.458 1.00 0.00 S ATOM 8 CE MET A 1 -0.053 9.506 37.452 1.00 0.00 C ATOM 0 H1 MET A 1 -5.978 10.724 39.385 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.826 12.189 38.540 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.310 10.783 37.721 1.00 0.00 H new ATOM 0 HA MET A 1 -3.651 11.155 39.016 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.297 8.810 38.925 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.878 8.971 37.279 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.535 7.954 37.497 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.641 9.328 36.414 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.835 9.959 37.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.073 8.424 37.414 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.193 9.891 36.442 1.00 0.00 H new ATOM 18 N THR A 2 -4.805 12.235 36.275 1.00 0.00 N ATOM 19 CA THR A 2 -4.516 12.979 35.054 1.00 0.00 C ATOM 20 C THR A 2 -3.078 13.487 35.066 1.00 0.00 C ATOM 21 O THR A 2 -2.632 14.095 36.039 1.00 0.00 O ATOM 22 CB THR A 2 -5.477 14.164 34.926 1.00 0.00 C ATOM 23 OG1 THR A 2 -6.591 13.961 35.783 1.00 0.00 O ATOM 24 CG2 THR A 2 -5.959 14.279 33.479 1.00 0.00 C ATOM 0 H THR A 2 -5.780 12.268 36.572 1.00 0.00 H new ATOM 0 HA THR A 2 -4.647 12.311 34.203 1.00 0.00 H new ATOM 0 HB THR A 2 -4.962 15.082 35.209 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.207 14.719 35.704 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.643 15.123 33.389 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.103 14.434 32.822 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.475 13.362 33.193 1.00 0.00 H new ATOM 32 N ALA A 3 -2.355 13.231 33.980 1.00 0.00 N ATOM 33 CA ALA A 3 -0.969 13.667 33.880 1.00 0.00 C ATOM 34 C ALA A 3 -0.834 14.812 32.882 1.00 0.00 C ATOM 35 O ALA A 3 -1.242 15.941 33.160 1.00 0.00 O ATOM 36 CB ALA A 3 -0.082 12.494 33.452 1.00 0.00 C ATOM 0 H ALA A 3 -2.703 12.728 33.164 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.648 14.023 34.859 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.953 12.828 33.379 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.155 11.695 34.190 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.412 12.123 32.482 1.00 0.00 H new ATOM 42 N GLU A 4 -0.257 14.520 31.725 1.00 0.00 N ATOM 43 CA GLU A 4 -0.070 15.538 30.698 1.00 0.00 C ATOM 44 C GLU A 4 -0.991 15.291 29.512 1.00 0.00 C ATOM 45 O GLU A 4 -1.441 16.229 28.853 1.00 0.00 O ATOM 46 CB GLU A 4 1.383 15.542 30.225 1.00 0.00 C ATOM 47 CG GLU A 4 1.565 16.623 29.158 1.00 0.00 C ATOM 48 CD GLU A 4 3.048 16.878 28.924 1.00 0.00 C ATOM 49 OE1 GLU A 4 3.832 15.977 29.173 1.00 0.00 O ATOM 50 OE2 GLU A 4 3.380 17.972 28.498 1.00 0.00 O ATOM 0 H GLU A 4 0.088 13.594 31.474 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.316 16.507 31.132 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.051 15.729 31.066 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.648 14.566 29.819 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.090 16.311 28.228 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.074 17.544 29.474 1.00 0.00 H new ATOM 57 N LEU A 5 -1.263 14.026 29.249 1.00 0.00 N ATOM 58 CA LEU A 5 -2.135 13.658 28.138 1.00 0.00 C ATOM 59 C LEU A 5 -3.570 14.092 28.418 1.00 0.00 C ATOM 60 O LEU A 5 -3.957 14.283 29.571 1.00 0.00 O ATOM 61 CB LEU A 5 -2.091 12.143 27.876 1.00 0.00 C ATOM 62 CG LEU A 5 -1.944 11.361 29.188 1.00 0.00 C ATOM 63 CD1 LEU A 5 -0.506 11.475 29.697 1.00 0.00 C ATOM 64 CD2 LEU A 5 -2.914 11.910 30.239 1.00 0.00 C ATOM 0 H LEU A 5 -0.898 13.237 29.783 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.773 14.173 27.248 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.002 11.833 27.364 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.257 11.909 27.214 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.179 10.312 29.006 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.405 10.919 30.629 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.177 11.064 28.953 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.264 12.523 29.872 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.802 11.348 31.166 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.694 12.962 30.423 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.937 11.811 29.877 1.00 0.00 H new ATOM 76 N GLN A 6 -4.352 14.252 27.355 1.00 0.00 N ATOM 77 CA GLN A 6 -5.742 14.672 27.495 1.00 0.00 C ATOM 78 C GLN A 6 -6.407 14.781 26.126 1.00 0.00 C ATOM 79 O GLN A 6 -5.735 14.991 25.117 1.00 0.00 O ATOM 80 CB GLN A 6 -5.805 16.026 28.206 1.00 0.00 C ATOM 81 CG GLN A 6 -7.245 16.541 28.206 1.00 0.00 C ATOM 82 CD GLN A 6 -7.448 17.510 29.367 1.00 0.00 C ATOM 83 OE1 GLN A 6 -8.561 17.645 29.876 1.00 0.00 O ATOM 84 NE2 GLN A 6 -6.433 18.194 29.819 1.00 0.00 N ATOM 0 H GLN A 6 -4.050 14.098 26.393 1.00 0.00 H new ATOM 0 HA GLN A 6 -6.274 13.926 28.085 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -5.444 15.927 29.230 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.153 16.741 27.705 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.462 17.040 27.262 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.940 15.705 28.292 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -5.512 18.080 29.395 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.560 18.843 30.596 1.00 0.00 H new ATOM 93 N GLN A 7 -7.730 14.638 26.098 1.00 0.00 N ATOM 94 CA GLN A 7 -8.468 14.725 24.841 1.00 0.00 C ATOM 95 C GLN A 7 -9.214 16.050 24.747 1.00 0.00 C ATOM 96 O GLN A 7 -9.656 16.452 23.671 1.00 0.00 O ATOM 97 CB GLN A 7 -9.463 13.568 24.732 1.00 0.00 C ATOM 98 CG GLN A 7 -10.356 13.546 25.975 1.00 0.00 C ATOM 99 CD GLN A 7 -9.951 12.392 26.885 1.00 0.00 C ATOM 100 OE1 GLN A 7 -9.543 11.335 26.404 1.00 0.00 O ATOM 101 NE2 GLN A 7 -10.037 12.535 28.178 1.00 0.00 N ATOM 0 H GLN A 7 -8.307 14.463 26.921 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.753 14.664 24.021 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.072 13.681 23.835 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.929 12.622 24.638 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.270 14.491 26.512 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.400 13.440 25.681 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.376 13.413 28.573 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.766 11.769 28.795 1.00 0.00 H new ATOM 110 N ASP A 8 -9.346 16.723 25.881 1.00 0.00 N ATOM 111 CA ASP A 8 -10.038 18.007 25.920 1.00 0.00 C ATOM 112 C ASP A 8 -9.088 19.130 25.543 1.00 0.00 C ATOM 113 O ASP A 8 -9.275 19.815 24.539 1.00 0.00 O ATOM 114 CB ASP A 8 -10.603 18.259 27.318 1.00 0.00 C ATOM 115 CG ASP A 8 -11.782 19.223 27.237 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.790 20.044 26.334 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.661 19.127 28.078 1.00 0.00 O ATOM 0 H ASP A 8 -8.987 16.406 26.781 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.858 17.980 25.202 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.922 17.318 27.766 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.828 18.672 27.964 1.00 0.00 H new ATOM 122 N ASP A 9 -8.069 19.303 26.361 1.00 0.00 N ATOM 123 CA ASP A 9 -7.072 20.340 26.122 1.00 0.00 C ATOM 124 C ASP A 9 -6.352 20.084 24.808 1.00 0.00 C ATOM 125 O ASP A 9 -5.775 20.992 24.209 1.00 0.00 O ATOM 126 CB ASP A 9 -6.059 20.362 27.264 1.00 0.00 C ATOM 127 CG ASP A 9 -6.691 20.965 28.513 1.00 0.00 C ATOM 128 OD1 ASP A 9 -7.478 20.278 29.146 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.381 22.104 28.820 1.00 0.00 O ATOM 0 H ASP A 9 -7.905 18.742 27.197 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.577 21.304 26.069 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.714 19.350 27.474 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.184 20.943 26.973 1.00 0.00 H new ATOM 134 N ALA A 10 -6.394 18.836 24.373 1.00 0.00 N ATOM 135 CA ALA A 10 -5.750 18.440 23.126 1.00 0.00 C ATOM 136 C ALA A 10 -5.934 19.515 22.060 1.00 0.00 C ATOM 137 O ALA A 10 -6.677 20.477 22.257 1.00 0.00 O ATOM 138 CB ALA A 10 -6.346 17.121 22.629 1.00 0.00 C ATOM 0 H ALA A 10 -6.867 18.077 24.863 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.684 18.312 23.315 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.861 16.831 21.697 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.187 16.345 23.378 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.415 17.247 22.457 1.00 0.00 H new ATOM 144 N ALA A 11 -5.254 19.346 20.931 1.00 0.00 N ATOM 145 CA ALA A 11 -5.349 20.309 19.841 1.00 0.00 C ATOM 146 C ALA A 11 -5.900 19.646 18.582 1.00 0.00 C ATOM 147 O ALA A 11 -5.292 18.724 18.038 1.00 0.00 O ATOM 148 CB ALA A 11 -3.971 20.901 19.547 1.00 0.00 C ATOM 0 H ALA A 11 -4.635 18.556 20.748 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.030 21.105 20.144 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.050 21.620 18.731 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.593 21.403 20.438 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.285 20.103 19.262 1.00 0.00 H new ATOM 154 N GLY A 12 -7.051 20.125 18.124 1.00 0.00 N ATOM 155 CA GLY A 12 -7.675 19.576 16.926 1.00 0.00 C ATOM 156 C GLY A 12 -7.848 20.655 15.861 1.00 0.00 C ATOM 157 O GLY A 12 -8.943 21.190 15.680 1.00 0.00 O ATOM 0 H GLY A 12 -7.568 20.888 18.561 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.064 18.764 16.532 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.646 19.150 17.179 1.00 0.00 H new ATOM 161 N ALA A 13 -6.762 20.971 15.163 1.00 0.00 N ATOM 162 CA ALA A 13 -6.807 21.990 14.119 1.00 0.00 C ATOM 163 C ALA A 13 -7.808 23.082 14.482 1.00 0.00 C ATOM 164 O ALA A 13 -7.678 23.739 15.516 1.00 0.00 O ATOM 165 CB ALA A 13 -7.203 21.354 12.785 1.00 0.00 C ATOM 0 H ALA A 13 -5.847 20.541 15.299 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.816 22.436 14.028 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.234 22.121 12.011 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.471 20.594 12.513 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.186 20.893 12.879 1.00 0.00 H new ATOM 171 N ALA A 14 -8.808 23.269 13.627 1.00 0.00 N ATOM 172 CA ALA A 14 -9.829 24.283 13.869 1.00 0.00 C ATOM 173 C ALA A 14 -11.191 23.628 14.067 1.00 0.00 C ATOM 174 O ALA A 14 -12.111 23.831 13.273 1.00 0.00 O ATOM 175 CB ALA A 14 -9.893 25.254 12.689 1.00 0.00 C ATOM 0 H ALA A 14 -8.933 22.736 12.766 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.565 24.831 14.773 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.658 26.007 12.879 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.926 25.742 12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.141 24.706 11.780 1.00 0.00 H new ATOM 181 N ASP A 15 -11.313 22.839 15.131 1.00 0.00 N ATOM 182 CA ASP A 15 -12.565 22.156 15.426 1.00 0.00 C ATOM 183 C ASP A 15 -12.864 21.106 14.362 1.00 0.00 C ATOM 184 O ASP A 15 -11.954 20.468 13.835 1.00 0.00 O ATOM 185 CB ASP A 15 -13.708 23.168 15.486 1.00 0.00 C ATOM 186 CG ASP A 15 -14.916 22.549 16.180 1.00 0.00 C ATOM 187 OD1 ASP A 15 -14.744 21.535 16.834 1.00 0.00 O ATOM 188 OD2 ASP A 15 -15.998 23.099 16.046 1.00 0.00 O ATOM 0 H ASP A 15 -10.563 22.659 15.799 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.470 21.660 16.392 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.387 24.060 16.024 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.979 23.483 14.478 1.00 0.00 H new ATOM 193 N GLY A 16 -14.144 20.933 14.051 1.00 0.00 N ATOM 194 CA GLY A 16 -14.547 19.956 13.047 1.00 0.00 C ATOM 195 C GLY A 16 -15.918 20.295 12.476 1.00 0.00 C ATOM 196 O GLY A 16 -16.516 21.313 12.826 1.00 0.00 O ATOM 0 H GLY A 16 -14.913 21.451 14.475 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.811 19.930 12.244 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.570 18.961 13.491 1.00 0.00 H new ATOM 200 N HIS A 17 -16.413 19.434 11.592 1.00 0.00 N ATOM 201 CA HIS A 17 -17.717 19.648 10.975 1.00 0.00 C ATOM 202 C HIS A 17 -18.798 18.880 11.727 1.00 0.00 C ATOM 203 O HIS A 17 -19.525 19.450 12.542 1.00 0.00 O ATOM 204 CB HIS A 17 -17.685 19.190 9.514 1.00 0.00 C ATOM 205 CG HIS A 17 -17.253 20.333 8.637 1.00 0.00 C ATOM 206 ND1 HIS A 17 -16.182 21.152 8.962 1.00 0.00 N ATOM 207 CD2 HIS A 17 -17.737 20.806 7.443 1.00 0.00 C ATOM 208 CE1 HIS A 17 -16.058 22.065 7.983 1.00 0.00 C ATOM 209 NE2 HIS A 17 -16.980 21.899 7.031 1.00 0.00 N ATOM 0 H HIS A 17 -15.934 18.586 11.288 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.948 20.712 11.017 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -16.998 18.351 9.400 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.671 18.838 9.211 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.577 20.393 6.905 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.305 22.839 7.968 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -17.103 22.454 6.184 1.00 0.00 H new ATOM 217 N GLY A 18 -18.898 17.585 11.450 1.00 0.00 N ATOM 218 CA GLY A 18 -19.895 16.748 12.107 1.00 0.00 C ATOM 219 C GLY A 18 -20.538 15.785 11.115 1.00 0.00 C ATOM 220 O GLY A 18 -21.329 14.923 11.495 1.00 0.00 O ATOM 0 H GLY A 18 -18.306 17.095 10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.427 16.185 12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.662 17.377 12.559 1.00 0.00 H new ATOM 224 N SER A 19 -20.191 15.940 9.841 1.00 0.00 N ATOM 225 CA SER A 19 -20.739 15.079 8.799 1.00 0.00 C ATOM 226 C SER A 19 -19.628 14.589 7.875 1.00 0.00 C ATOM 227 O SER A 19 -18.479 14.448 8.291 1.00 0.00 O ATOM 228 CB SER A 19 -21.781 15.845 7.984 1.00 0.00 C ATOM 229 OG SER A 19 -22.568 16.642 8.860 1.00 0.00 O ATOM 0 H SER A 19 -19.538 16.648 9.507 1.00 0.00 H new ATOM 0 HA SER A 19 -21.211 14.218 9.273 1.00 0.00 H new ATOM 0 HB2 SER A 19 -21.289 16.475 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 19 -22.417 15.148 7.438 1.00 0.00 H new ATOM 0 HG SER A 19 -23.236 17.136 8.341 1.00 0.00 H new ATOM 235 N SER A 20 -19.980 14.334 6.619 1.00 0.00 N ATOM 236 CA SER A 20 -19.004 13.863 5.644 1.00 0.00 C ATOM 237 C SER A 20 -19.291 14.466 4.273 1.00 0.00 C ATOM 238 O SER A 20 -20.098 13.937 3.508 1.00 0.00 O ATOM 239 CB SER A 20 -19.049 12.338 5.552 1.00 0.00 C ATOM 240 OG SER A 20 -20.397 11.901 5.670 1.00 0.00 O ATOM 0 H SER A 20 -20.926 14.445 6.255 1.00 0.00 H new ATOM 0 HA SER A 20 -18.012 14.175 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 20 -18.629 12.007 4.602 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.441 11.896 6.341 1.00 0.00 H new ATOM 0 HG SER A 20 -20.948 12.355 4.999 1.00 0.00 H new ATOM 246 N CYS A 21 -18.630 15.577 3.970 1.00 0.00 N ATOM 247 CA CYS A 21 -18.829 16.243 2.688 1.00 0.00 C ATOM 248 C CYS A 21 -17.494 16.506 1.999 1.00 0.00 C ATOM 249 O CYS A 21 -16.479 15.894 2.333 1.00 0.00 O ATOM 250 CB CYS A 21 -19.563 17.568 2.899 1.00 0.00 C ATOM 251 SG CYS A 21 -20.816 17.364 4.188 1.00 0.00 S ATOM 0 H CYS A 21 -17.958 16.032 4.588 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.427 15.589 2.053 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.856 18.347 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -20.032 17.889 1.969 1.00 0.00 H new ATOM 0 HG CYS A 21 -21.439 18.490 4.370 1.00 0.00 H new ATOM 257 N GLN A 22 -17.505 17.421 1.035 1.00 0.00 N ATOM 258 CA GLN A 22 -16.292 17.763 0.300 1.00 0.00 C ATOM 259 C GLN A 22 -15.103 17.883 1.249 1.00 0.00 C ATOM 260 O GLN A 22 -13.953 17.948 0.814 1.00 0.00 O ATOM 261 CB GLN A 22 -16.492 19.088 -0.439 1.00 0.00 C ATOM 262 CG GLN A 22 -17.118 20.112 0.509 1.00 0.00 C ATOM 263 CD GLN A 22 -18.597 20.294 0.181 1.00 0.00 C ATOM 264 OE1 GLN A 22 -19.173 19.491 -0.554 1.00 0.00 O ATOM 265 NE2 GLN A 22 -19.249 21.306 0.684 1.00 0.00 N ATOM 0 H GLN A 22 -18.336 17.937 0.745 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.087 16.969 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.536 19.457 -0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.135 18.939 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.004 19.781 1.541 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.598 21.066 0.421 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -18.770 21.970 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -20.238 21.433 0.469 1.00 0.00 H new ATOM 274 N MET A 23 -15.390 17.919 2.546 1.00 0.00 N ATOM 275 CA MET A 23 -14.340 18.040 3.553 1.00 0.00 C ATOM 276 C MET A 23 -13.320 16.921 3.420 1.00 0.00 C ATOM 277 O MET A 23 -12.130 17.166 3.250 1.00 0.00 O ATOM 278 CB MET A 23 -14.955 18.009 4.957 1.00 0.00 C ATOM 279 CG MET A 23 -14.667 19.326 5.684 1.00 0.00 C ATOM 280 SD MET A 23 -12.979 19.300 6.336 1.00 0.00 S ATOM 281 CE MET A 23 -13.322 18.307 7.811 1.00 0.00 C ATOM 0 H MET A 23 -16.336 17.866 2.924 1.00 0.00 H new ATOM 0 HA MET A 23 -13.831 18.991 3.396 1.00 0.00 H new ATOM 0 HB2 MET A 23 -16.031 17.850 4.888 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.545 17.174 5.524 1.00 0.00 H new ATOM 0 HG2 MET A 23 -14.791 20.166 5.000 1.00 0.00 H new ATOM 0 HG3 MET A 23 -15.380 19.469 6.496 1.00 0.00 H new ATOM 0 HE1 MET A 23 -13.268 18.940 8.697 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.320 17.874 7.734 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.585 17.508 7.891 1.00 0.00 H new ATOM 291 N LEU A 24 -13.800 15.700 3.513 1.00 0.00 N ATOM 292 CA LEU A 24 -12.930 14.531 3.416 1.00 0.00 C ATOM 293 C LEU A 24 -12.069 14.582 2.163 1.00 0.00 C ATOM 294 O LEU A 24 -10.840 14.640 2.235 1.00 0.00 O ATOM 295 CB LEU A 24 -13.775 13.255 3.402 1.00 0.00 C ATOM 296 CG LEU A 24 -14.828 13.329 4.509 1.00 0.00 C ATOM 297 CD1 LEU A 24 -15.434 11.941 4.736 1.00 0.00 C ATOM 298 CD2 LEU A 24 -14.170 13.813 5.804 1.00 0.00 C ATOM 0 H LEU A 24 -14.786 15.483 3.656 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.271 14.531 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.259 13.137 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.138 12.383 3.549 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.614 14.024 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.184 11.996 5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -15.901 11.593 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.649 11.245 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.919 13.867 6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.384 13.116 6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.738 14.801 5.645 1.00 0.00 H new ATOM 310 N LEU A 25 -12.728 14.553 1.024 1.00 0.00 N ATOM 311 CA LEU A 25 -12.036 14.578 -0.262 1.00 0.00 C ATOM 312 C LEU A 25 -11.040 15.727 -0.321 1.00 0.00 C ATOM 313 O LEU A 25 -9.864 15.532 -0.624 1.00 0.00 O ATOM 314 CB LEU A 25 -13.044 14.719 -1.408 1.00 0.00 C ATOM 315 CG LEU A 25 -14.189 13.715 -1.230 1.00 0.00 C ATOM 316 CD1 LEU A 25 -13.640 12.390 -0.695 1.00 0.00 C ATOM 317 CD2 LEU A 25 -15.223 14.276 -0.246 1.00 0.00 C ATOM 0 H LEU A 25 -13.745 14.512 0.955 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.496 13.637 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.440 15.734 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -12.547 14.549 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.665 13.544 -2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.458 11.681 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.914 11.986 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.157 12.559 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -16.035 13.559 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.748 14.455 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.623 15.213 -0.633 1.00 0.00 H new ATOM 329 N ASN A 26 -11.524 16.925 -0.037 1.00 0.00 N ATOM 330 CA ASN A 26 -10.683 18.111 -0.070 1.00 0.00 C ATOM 331 C ASN A 26 -9.473 17.964 0.841 1.00 0.00 C ATOM 332 O ASN A 26 -8.347 18.268 0.453 1.00 0.00 O ATOM 333 CB ASN A 26 -11.506 19.324 0.364 1.00 0.00 C ATOM 334 CG ASN A 26 -10.742 20.610 0.065 1.00 0.00 C ATOM 335 OD1 ASN A 26 -11.052 21.661 0.626 1.00 0.00 O ATOM 336 ND2 ASN A 26 -9.758 20.589 -0.791 1.00 0.00 N ATOM 0 H ASN A 26 -12.495 17.102 0.219 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.321 18.245 -1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.462 19.330 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.726 19.262 1.430 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.243 21.445 -0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.504 19.717 -1.254 1.00 0.00 H new ATOM 343 N GLN A 27 -9.724 17.518 2.056 1.00 0.00 N ATOM 344 CA GLN A 27 -8.662 17.352 3.045 1.00 0.00 C ATOM 345 C GLN A 27 -7.558 16.427 2.540 1.00 0.00 C ATOM 346 O GLN A 27 -6.415 16.856 2.383 1.00 0.00 O ATOM 347 CB GLN A 27 -9.239 16.797 4.349 1.00 0.00 C ATOM 348 CG GLN A 27 -9.213 17.880 5.428 1.00 0.00 C ATOM 349 CD GLN A 27 -7.770 18.230 5.782 1.00 0.00 C ATOM 350 OE1 GLN A 27 -7.128 19.007 5.077 1.00 0.00 O ATOM 351 NE2 GLN A 27 -7.221 17.700 6.840 1.00 0.00 N ATOM 0 H GLN A 27 -10.654 17.262 2.388 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.225 18.334 3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.261 16.455 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.661 15.932 4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.735 18.769 5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.740 17.532 6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.755 17.056 7.423 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.258 17.930 7.084 1.00 0.00 H new ATOM 360 N LEU A 28 -7.885 15.160 2.292 1.00 0.00 N ATOM 361 CA LEU A 28 -6.867 14.228 1.818 1.00 0.00 C ATOM 362 C LEU A 28 -6.164 14.793 0.585 1.00 0.00 C ATOM 363 O LEU A 28 -4.937 14.848 0.528 1.00 0.00 O ATOM 364 CB LEU A 28 -7.467 12.857 1.474 1.00 0.00 C ATOM 365 CG LEU A 28 -8.931 12.995 1.038 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.160 12.228 -0.269 1.00 0.00 C ATOM 367 CD2 LEU A 28 -9.831 12.413 2.130 1.00 0.00 C ATOM 0 H LEU A 28 -8.818 14.765 2.407 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.148 14.096 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.888 12.392 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.402 12.199 2.341 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.166 14.048 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.202 12.330 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.513 12.634 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.928 11.174 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.875 12.506 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.589 11.361 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.672 12.957 3.061 1.00 0.00 H new ATOM 379 N ARG A 29 -6.955 15.202 -0.402 1.00 0.00 N ATOM 380 CA ARG A 29 -6.406 15.753 -1.640 1.00 0.00 C ATOM 381 C ARG A 29 -5.567 17.002 -1.377 1.00 0.00 C ATOM 382 O ARG A 29 -4.712 17.360 -2.186 1.00 0.00 O ATOM 383 CB ARG A 29 -7.546 16.103 -2.599 1.00 0.00 C ATOM 384 CG ARG A 29 -6.978 16.820 -3.826 1.00 0.00 C ATOM 385 CD ARG A 29 -7.962 16.703 -4.990 1.00 0.00 C ATOM 386 NE ARG A 29 -8.193 18.013 -5.588 1.00 0.00 N ATOM 387 CZ ARG A 29 -7.276 18.586 -6.360 1.00 0.00 C ATOM 388 NH1 ARG A 29 -6.147 17.976 -6.594 1.00 0.00 N ATOM 389 NH2 ARG A 29 -7.506 19.759 -6.883 1.00 0.00 N ATOM 0 H ARG A 29 -7.974 15.163 -0.371 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.760 14.996 -2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.070 15.197 -2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.275 16.740 -2.098 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.796 17.870 -3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.018 16.384 -4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.569 16.017 -5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.905 16.284 -4.638 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.073 18.497 -5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.968 17.059 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.443 18.416 -7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.389 20.235 -6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.803 20.200 -7.476 1.00 0.00 H new ATOM 403 N GLU A 30 -5.816 17.670 -0.256 1.00 0.00 N ATOM 404 CA GLU A 30 -5.072 18.884 0.075 1.00 0.00 C ATOM 405 C GLU A 30 -3.730 18.543 0.713 1.00 0.00 C ATOM 406 O GLU A 30 -2.704 19.138 0.380 1.00 0.00 O ATOM 407 CB GLU A 30 -5.879 19.754 1.041 1.00 0.00 C ATOM 408 CG GLU A 30 -6.518 20.914 0.273 1.00 0.00 C ATOM 409 CD GLU A 30 -5.434 21.809 -0.318 1.00 0.00 C ATOM 410 OE1 GLU A 30 -4.373 21.898 0.279 1.00 0.00 O ATOM 411 OE2 GLU A 30 -5.679 22.391 -1.363 1.00 0.00 O ATOM 0 H GLU A 30 -6.518 17.398 0.432 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.896 19.430 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.651 19.157 1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.231 20.139 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.155 20.527 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.157 21.494 0.939 1.00 0.00 H new ATOM 418 N ILE A 31 -3.748 17.591 1.637 1.00 0.00 N ATOM 419 CA ILE A 31 -2.529 17.188 2.328 1.00 0.00 C ATOM 420 C ILE A 31 -1.584 16.451 1.400 1.00 0.00 C ATOM 421 O ILE A 31 -0.412 16.802 1.267 1.00 0.00 O ATOM 422 CB ILE A 31 -2.868 16.267 3.497 1.00 0.00 C ATOM 423 CG1 ILE A 31 -3.844 16.967 4.440 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.584 15.924 4.248 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.222 16.016 5.578 1.00 0.00 C ATOM 0 H ILE A 31 -4.587 17.086 1.924 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.044 18.096 2.686 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.331 15.354 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.391 17.873 4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.737 17.273 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.817 15.266 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.891 15.421 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.126 16.839 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.919 16.514 6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.692 15.123 5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.325 15.732 6.128 1.00 0.00 H new ATOM 437 N THR A 32 -2.105 15.411 0.791 1.00 0.00 N ATOM 438 CA THR A 32 -1.320 14.579 -0.106 1.00 0.00 C ATOM 439 C THR A 32 -1.107 15.256 -1.455 1.00 0.00 C ATOM 440 O THR A 32 -0.044 15.121 -2.062 1.00 0.00 O ATOM 441 CB THR A 32 -2.040 13.249 -0.308 1.00 0.00 C ATOM 442 OG1 THR A 32 -3.061 13.416 -1.282 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.663 12.801 1.015 1.00 0.00 C ATOM 0 H THR A 32 -3.075 15.116 0.898 1.00 0.00 H new ATOM 0 HA THR A 32 -0.340 14.416 0.344 1.00 0.00 H new ATOM 0 HB THR A 32 -1.331 12.494 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.814 13.904 -0.887 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.178 11.851 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.880 12.680 1.763 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.376 13.552 1.354 1.00 0.00 H new ATOM 451 N GLY A 33 -2.118 15.976 -1.926 1.00 0.00 N ATOM 452 CA GLY A 33 -2.011 16.655 -3.214 1.00 0.00 C ATOM 453 C GLY A 33 -2.063 15.638 -4.342 1.00 0.00 C ATOM 454 O GLY A 33 -1.370 15.768 -5.352 1.00 0.00 O ATOM 0 H GLY A 33 -3.008 16.105 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.822 17.374 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.078 17.217 -3.262 1.00 0.00 H new ATOM 458 N ILE A 34 -2.872 14.610 -4.141 1.00 0.00 N ATOM 459 CA ILE A 34 -3.005 13.541 -5.116 1.00 0.00 C ATOM 460 C ILE A 34 -4.120 13.825 -6.115 1.00 0.00 C ATOM 461 O ILE A 34 -5.100 14.500 -5.801 1.00 0.00 O ATOM 462 CB ILE A 34 -3.295 12.240 -4.378 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.210 12.039 -3.299 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.346 11.079 -5.379 1.00 0.00 C ATOM 465 CD1 ILE A 34 -1.076 11.128 -3.777 1.00 0.00 C ATOM 0 H ILE A 34 -3.448 14.494 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.073 13.464 -5.677 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.266 12.278 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.799 13.008 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.664 11.611 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.554 10.150 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.133 11.263 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.387 10.998 -5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.338 11.018 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.480 10.149 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.601 11.568 -4.654 1.00 0.00 H new ATOM 477 N GLN A 35 -3.959 13.288 -7.319 1.00 0.00 N ATOM 478 CA GLN A 35 -4.948 13.464 -8.373 1.00 0.00 C ATOM 479 C GLN A 35 -5.494 12.105 -8.798 1.00 0.00 C ATOM 480 O GLN A 35 -5.991 11.943 -9.912 1.00 0.00 O ATOM 481 CB GLN A 35 -4.317 14.169 -9.577 1.00 0.00 C ATOM 482 CG GLN A 35 -3.983 15.614 -9.204 1.00 0.00 C ATOM 483 CD GLN A 35 -2.506 15.732 -8.845 1.00 0.00 C ATOM 484 OE1 GLN A 35 -1.866 14.736 -8.505 1.00 0.00 O ATOM 485 NE2 GLN A 35 -1.922 16.898 -8.902 1.00 0.00 N ATOM 0 H GLN A 35 -3.151 12.726 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.764 14.078 -7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.413 13.644 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.003 14.150 -10.424 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.217 16.277 -10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.597 15.932 -8.361 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.454 17.722 -9.184 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.934 16.986 -8.665 1.00 0.00 H new ATOM 494 N ASP A 36 -5.390 11.131 -7.898 1.00 0.00 N ATOM 495 CA ASP A 36 -5.869 9.786 -8.182 1.00 0.00 C ATOM 496 C ASP A 36 -6.940 9.385 -7.175 1.00 0.00 C ATOM 497 O ASP A 36 -6.717 8.523 -6.326 1.00 0.00 O ATOM 498 CB ASP A 36 -4.705 8.794 -8.117 1.00 0.00 C ATOM 499 CG ASP A 36 -5.139 7.440 -8.668 1.00 0.00 C ATOM 500 OD1 ASP A 36 -6.139 7.398 -9.365 1.00 0.00 O ATOM 501 OD2 ASP A 36 -4.465 6.464 -8.384 1.00 0.00 O ATOM 0 H ASP A 36 -4.980 11.249 -6.971 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.300 9.772 -9.183 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.860 9.175 -8.691 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.367 8.685 -7.086 1.00 0.00 H new ATOM 506 N PRO A 37 -8.090 9.995 -7.257 1.00 0.00 N ATOM 507 CA PRO A 37 -9.222 9.703 -6.340 1.00 0.00 C ATOM 508 C PRO A 37 -9.299 8.225 -5.995 1.00 0.00 C ATOM 509 O PRO A 37 -9.896 7.826 -4.996 1.00 0.00 O ATOM 510 CB PRO A 37 -10.428 10.134 -7.154 1.00 0.00 C ATOM 511 CG PRO A 37 -9.944 11.263 -8.006 1.00 0.00 C ATOM 512 CD PRO A 37 -8.446 11.031 -8.240 1.00 0.00 C ATOM 0 HA PRO A 37 -9.136 10.213 -5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.804 9.313 -7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.246 10.451 -6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.483 11.292 -8.953 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.115 12.220 -7.513 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.248 10.700 -9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.871 11.944 -8.084 1.00 0.00 H new ATOM 520 N SER A 38 -8.689 7.430 -6.852 1.00 0.00 N ATOM 521 CA SER A 38 -8.671 5.981 -6.682 1.00 0.00 C ATOM 522 C SER A 38 -7.696 5.562 -5.584 1.00 0.00 C ATOM 523 O SER A 38 -8.069 4.844 -4.650 1.00 0.00 O ATOM 524 CB SER A 38 -8.276 5.309 -7.998 1.00 0.00 C ATOM 525 OG SER A 38 -9.451 4.948 -8.711 1.00 0.00 O ATOM 0 H SER A 38 -8.195 7.761 -7.680 1.00 0.00 H new ATOM 0 HA SER A 38 -9.672 5.665 -6.390 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.667 5.986 -8.597 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.670 4.425 -7.801 1.00 0.00 H new ATOM 0 HG SER A 38 -9.202 4.519 -9.556 1.00 0.00 H new ATOM 531 N PHE A 39 -6.451 6.020 -5.680 1.00 0.00 N ATOM 532 CA PHE A 39 -5.463 5.679 -4.673 1.00 0.00 C ATOM 533 C PHE A 39 -5.847 6.394 -3.374 1.00 0.00 C ATOM 534 O PHE A 39 -5.568 5.922 -2.262 1.00 0.00 O ATOM 535 CB PHE A 39 -4.053 6.041 -5.203 1.00 0.00 C ATOM 536 CG PHE A 39 -3.296 6.917 -4.252 1.00 0.00 C ATOM 537 CD1 PHE A 39 -3.852 8.113 -3.836 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.027 6.537 -3.801 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.164 8.941 -2.969 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.325 7.370 -2.930 1.00 0.00 C ATOM 541 CZ PHE A 39 -1.896 8.577 -2.515 1.00 0.00 C ATOM 0 H PHE A 39 -6.110 6.618 -6.433 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.439 4.611 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.488 5.126 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.147 6.547 -6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.830 8.402 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.593 5.603 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.608 9.870 -2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.345 7.084 -2.578 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.356 9.227 -1.843 1.00 0.00 H new ATOM 551 N LEU A 40 -6.560 7.513 -3.538 1.00 0.00 N ATOM 552 CA LEU A 40 -7.048 8.273 -2.402 1.00 0.00 C ATOM 553 C LEU A 40 -8.077 7.422 -1.680 1.00 0.00 C ATOM 554 O LEU A 40 -7.951 7.135 -0.493 1.00 0.00 O ATOM 555 CB LEU A 40 -7.716 9.578 -2.860 1.00 0.00 C ATOM 556 CG LEU A 40 -6.657 10.602 -3.276 1.00 0.00 C ATOM 557 CD1 LEU A 40 -7.246 11.572 -4.301 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.189 11.378 -2.047 1.00 0.00 C ATOM 0 H LEU A 40 -6.807 7.905 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.212 8.526 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.385 9.377 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.327 9.984 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.810 10.081 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.487 12.298 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.575 11.017 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.097 12.093 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.435 12.107 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.037 11.895 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.760 10.687 -1.322 1.00 0.00 H new ATOM 570 N HIS A 41 -9.091 7.001 -2.436 1.00 0.00 N ATOM 571 CA HIS A 41 -10.143 6.159 -1.892 1.00 0.00 C ATOM 572 C HIS A 41 -9.525 4.974 -1.170 1.00 0.00 C ATOM 573 O HIS A 41 -10.016 4.549 -0.124 1.00 0.00 O ATOM 574 CB HIS A 41 -11.054 5.660 -3.015 1.00 0.00 C ATOM 575 CG HIS A 41 -12.307 6.488 -3.048 1.00 0.00 C ATOM 576 ND1 HIS A 41 -13.504 5.997 -3.546 1.00 0.00 N ATOM 577 CD2 HIS A 41 -12.568 7.777 -2.650 1.00 0.00 C ATOM 578 CE1 HIS A 41 -14.421 6.976 -3.435 1.00 0.00 C ATOM 579 NE2 HIS A 41 -13.904 8.082 -2.896 1.00 0.00 N ATOM 0 H HIS A 41 -9.201 7.231 -3.424 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.737 6.744 -1.189 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.537 5.724 -3.973 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.303 4.611 -2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -11.846 8.451 -2.213 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -15.451 6.878 -3.745 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.384 8.961 -2.705 1.00 0.00 H new ATOM 587 N GLU A 42 -8.429 4.454 -1.719 1.00 0.00 N ATOM 588 CA GLU A 42 -7.752 3.335 -1.086 1.00 0.00 C ATOM 589 C GLU A 42 -7.355 3.750 0.317 1.00 0.00 C ATOM 590 O GLU A 42 -7.563 3.017 1.284 1.00 0.00 O ATOM 591 CB GLU A 42 -6.510 2.940 -1.885 1.00 0.00 C ATOM 592 CG GLU A 42 -5.891 1.691 -1.261 1.00 0.00 C ATOM 593 CD GLU A 42 -5.308 0.798 -2.352 1.00 0.00 C ATOM 594 OE1 GLU A 42 -4.575 1.311 -3.182 1.00 0.00 O ATOM 595 OE2 GLU A 42 -5.605 -0.385 -2.343 1.00 0.00 O ATOM 0 H GLU A 42 -8.001 4.785 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.419 2.474 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.777 2.748 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.788 3.757 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.110 1.975 -0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.646 1.144 -0.696 1.00 0.00 H new ATOM 602 N ALA A 43 -6.800 4.950 0.411 1.00 0.00 N ATOM 603 CA ALA A 43 -6.388 5.499 1.696 1.00 0.00 C ATOM 604 C ALA A 43 -7.569 5.579 2.662 1.00 0.00 C ATOM 605 O ALA A 43 -7.508 5.072 3.782 1.00 0.00 O ATOM 606 CB ALA A 43 -5.841 6.901 1.480 1.00 0.00 C ATOM 0 H ALA A 43 -6.625 5.562 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.628 4.846 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.530 7.321 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.985 6.858 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.616 7.530 1.042 1.00 0.00 H new ATOM 612 N LEU A 44 -8.634 6.234 2.215 1.00 0.00 N ATOM 613 CA LEU A 44 -9.830 6.402 3.034 1.00 0.00 C ATOM 614 C LEU A 44 -10.448 5.043 3.353 1.00 0.00 C ATOM 615 O LEU A 44 -11.222 4.908 4.301 1.00 0.00 O ATOM 616 CB LEU A 44 -10.863 7.275 2.296 1.00 0.00 C ATOM 617 CG LEU A 44 -10.519 8.775 2.418 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.317 9.163 3.884 1.00 0.00 C ATOM 619 CD2 LEU A 44 -9.246 9.080 1.622 1.00 0.00 C ATOM 0 H LEU A 44 -8.694 6.658 1.289 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.544 6.893 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.896 6.992 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.856 7.093 2.707 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.348 9.356 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.075 10.224 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.232 8.964 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.500 8.578 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.007 10.140 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.420 8.487 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.404 8.830 0.573 1.00 0.00 H new ATOM 631 N LYS A 45 -10.103 4.041 2.549 1.00 0.00 N ATOM 632 CA LYS A 45 -10.630 2.695 2.745 1.00 0.00 C ATOM 633 C LYS A 45 -9.890 1.977 3.871 1.00 0.00 C ATOM 634 O LYS A 45 -10.509 1.484 4.814 1.00 0.00 O ATOM 635 CB LYS A 45 -10.491 1.891 1.451 1.00 0.00 C ATOM 636 CG LYS A 45 -11.807 1.943 0.675 1.00 0.00 C ATOM 637 CD LYS A 45 -11.520 1.865 -0.825 1.00 0.00 C ATOM 638 CE LYS A 45 -12.757 1.339 -1.552 1.00 0.00 C ATOM 639 NZ LYS A 45 -13.982 1.791 -0.832 1.00 0.00 N ATOM 0 H LYS A 45 -9.464 4.135 1.760 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.682 2.777 3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.682 2.296 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.231 0.857 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.451 1.117 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.341 2.865 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.252 2.850 -1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.669 1.209 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.771 1.702 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.730 0.250 -1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.803 1.724 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.138 1.187 0.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.861 2.778 -0.526 1.00 0.00 H new ATOM 653 N ALA A 46 -8.566 1.920 3.766 1.00 0.00 N ATOM 654 CA ALA A 46 -7.757 1.257 4.783 1.00 0.00 C ATOM 655 C ALA A 46 -7.817 2.026 6.098 1.00 0.00 C ATOM 656 O ALA A 46 -7.698 1.444 7.176 1.00 0.00 O ATOM 657 CB ALA A 46 -6.305 1.159 4.313 1.00 0.00 C ATOM 0 H ALA A 46 -8.034 2.321 2.994 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.155 0.255 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.708 0.663 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.260 0.584 3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.911 2.160 4.138 1.00 0.00 H new ATOM 663 N SER A 47 -8.004 3.338 6.001 1.00 0.00 N ATOM 664 CA SER A 47 -8.079 4.180 7.187 1.00 0.00 C ATOM 665 C SER A 47 -9.432 4.026 7.874 1.00 0.00 C ATOM 666 O SER A 47 -9.595 4.400 9.035 1.00 0.00 O ATOM 667 CB SER A 47 -7.864 5.643 6.800 1.00 0.00 C ATOM 668 OG SER A 47 -9.117 6.234 6.483 1.00 0.00 O ATOM 0 H SER A 47 -8.106 3.838 5.118 1.00 0.00 H new ATOM 0 HA SER A 47 -7.298 3.868 7.880 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.392 6.183 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.191 5.710 5.945 1.00 0.00 H new ATOM 0 HG SER A 47 -9.000 7.198 6.353 1.00 0.00 H new ATOM 674 N ASN A 48 -10.399 3.474 7.148 1.00 0.00 N ATOM 675 CA ASN A 48 -11.735 3.278 7.699 1.00 0.00 C ATOM 676 C ASN A 48 -12.423 4.620 7.921 1.00 0.00 C ATOM 677 O ASN A 48 -13.201 4.783 8.860 1.00 0.00 O ATOM 678 CB ASN A 48 -11.650 2.522 9.025 1.00 0.00 C ATOM 679 CG ASN A 48 -10.508 1.515 8.978 1.00 0.00 C ATOM 680 OD1 ASN A 48 -9.426 1.775 9.507 1.00 0.00 O ATOM 681 ND2 ASN A 48 -10.683 0.372 8.373 1.00 0.00 N ATOM 0 H ASN A 48 -10.284 3.157 6.185 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.318 2.695 6.987 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.493 3.224 9.844 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.591 2.008 9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.923 -0.308 8.338 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.579 0.158 7.936 1.00 0.00 H new ATOM 688 N GLY A 49 -12.127 5.579 7.051 1.00 0.00 N ATOM 689 CA GLY A 49 -12.720 6.907 7.161 1.00 0.00 C ATOM 690 C GLY A 49 -11.728 7.898 7.759 1.00 0.00 C ATOM 691 O GLY A 49 -11.866 9.109 7.587 1.00 0.00 O ATOM 0 H GLY A 49 -11.485 5.464 6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.035 7.252 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.614 6.860 7.784 1.00 0.00 H new ATOM 695 N ASP A 50 -10.725 7.375 8.458 1.00 0.00 N ATOM 696 CA ASP A 50 -9.712 8.224 9.074 1.00 0.00 C ATOM 697 C ASP A 50 -8.850 8.886 8.005 1.00 0.00 C ATOM 698 O ASP A 50 -8.177 8.209 7.227 1.00 0.00 O ATOM 699 CB ASP A 50 -8.831 7.394 10.008 1.00 0.00 C ATOM 700 CG ASP A 50 -9.451 7.341 11.400 1.00 0.00 C ATOM 701 OD1 ASP A 50 -10.477 7.974 11.593 1.00 0.00 O ATOM 702 OD2 ASP A 50 -8.894 6.669 12.251 1.00 0.00 O ATOM 0 H ASP A 50 -10.593 6.375 8.611 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.215 9.001 9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.718 6.385 9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.833 7.829 10.062 1.00 0.00 H new ATOM 707 N ILE A 51 -8.880 10.213 7.969 1.00 0.00 N ATOM 708 CA ILE A 51 -8.104 10.963 6.989 1.00 0.00 C ATOM 709 C ILE A 51 -6.625 10.952 7.357 1.00 0.00 C ATOM 710 O ILE A 51 -5.775 10.598 6.540 1.00 0.00 O ATOM 711 CB ILE A 51 -8.638 12.405 6.911 1.00 0.00 C ATOM 712 CG1 ILE A 51 -9.137 12.694 5.494 1.00 0.00 C ATOM 713 CG2 ILE A 51 -7.549 13.426 7.275 1.00 0.00 C ATOM 714 CD1 ILE A 51 -10.081 13.894 5.536 1.00 0.00 C ATOM 0 H ILE A 51 -9.431 10.790 8.604 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.207 10.493 6.011 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.455 12.498 7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.295 12.900 4.833 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.653 11.823 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.959 14.434 7.210 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.201 13.240 8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.713 13.329 6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.442 14.108 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.927 13.669 6.185 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.548 14.763 5.923 1.00 0.00 H new ATOM 726 N THR A 52 -6.324 11.348 8.586 1.00 0.00 N ATOM 727 CA THR A 52 -4.945 11.383 9.037 1.00 0.00 C ATOM 728 C THR A 52 -4.227 10.101 8.643 1.00 0.00 C ATOM 729 O THR A 52 -3.194 10.134 7.978 1.00 0.00 O ATOM 730 CB THR A 52 -4.889 11.545 10.549 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.383 12.828 10.910 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.442 11.402 10.999 1.00 0.00 C ATOM 0 H THR A 52 -7.010 11.646 9.280 1.00 0.00 H new ATOM 0 HA THR A 52 -4.452 12.232 8.564 1.00 0.00 H new ATOM 0 HB THR A 52 -5.503 10.784 11.030 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.348 12.930 11.884 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.385 11.516 12.082 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.069 10.417 10.717 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.835 12.170 10.521 1.00 0.00 H new ATOM 740 N GLN A 53 -4.778 8.968 9.050 1.00 0.00 N ATOM 741 CA GLN A 53 -4.168 7.694 8.716 1.00 0.00 C ATOM 742 C GLN A 53 -3.974 7.598 7.209 1.00 0.00 C ATOM 743 O GLN A 53 -2.860 7.430 6.736 1.00 0.00 O ATOM 744 CB GLN A 53 -5.047 6.545 9.203 1.00 0.00 C ATOM 745 CG GLN A 53 -4.631 6.151 10.622 1.00 0.00 C ATOM 746 CD GLN A 53 -5.033 7.248 11.603 1.00 0.00 C ATOM 747 OE1 GLN A 53 -4.387 8.294 11.663 1.00 0.00 O ATOM 748 NE2 GLN A 53 -6.067 7.071 12.379 1.00 0.00 N ATOM 0 H GLN A 53 -5.633 8.905 9.603 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.198 7.625 9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.095 6.844 9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.951 5.690 8.534 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.104 5.210 10.901 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.554 5.991 10.663 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.601 6.203 12.327 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.342 7.800 13.037 1.00 0.00 H new ATOM 757 N ALA A 54 -5.064 7.733 6.460 1.00 0.00 N ATOM 758 CA ALA A 54 -4.990 7.680 5.000 1.00 0.00 C ATOM 759 C ALA A 54 -3.783 8.451 4.521 1.00 0.00 C ATOM 760 O ALA A 54 -2.998 7.974 3.705 1.00 0.00 O ATOM 761 CB ALA A 54 -6.257 8.283 4.392 1.00 0.00 C ATOM 0 H ALA A 54 -6.002 7.879 6.833 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.902 6.640 4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.195 8.240 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.126 7.718 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.354 9.321 4.709 1.00 0.00 H new ATOM 767 N VAL A 55 -3.635 9.640 5.048 1.00 0.00 N ATOM 768 CA VAL A 55 -2.517 10.480 4.686 1.00 0.00 C ATOM 769 C VAL A 55 -1.218 9.725 4.894 1.00 0.00 C ATOM 770 O VAL A 55 -0.452 9.510 3.960 1.00 0.00 O ATOM 771 CB VAL A 55 -2.538 11.749 5.535 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.467 12.713 5.043 1.00 0.00 C ATOM 773 CG2 VAL A 55 -3.919 12.406 5.429 1.00 0.00 C ATOM 0 H VAL A 55 -4.274 10.050 5.729 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.594 10.757 3.634 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.336 11.496 6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.485 13.618 5.651 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.488 12.241 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.661 12.972 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.938 13.313 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.122 12.660 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.680 11.714 5.789 1.00 0.00 H new ATOM 783 N SER A 56 -0.995 9.317 6.127 1.00 0.00 N ATOM 784 CA SER A 56 0.208 8.573 6.492 1.00 0.00 C ATOM 785 C SER A 56 0.391 7.326 5.623 1.00 0.00 C ATOM 786 O SER A 56 1.493 7.040 5.157 1.00 0.00 O ATOM 787 CB SER A 56 0.124 8.155 7.959 1.00 0.00 C ATOM 788 OG SER A 56 1.397 7.696 8.391 1.00 0.00 O ATOM 0 H SER A 56 -1.634 9.487 6.904 1.00 0.00 H new ATOM 0 HA SER A 56 1.065 9.227 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.198 8.997 8.571 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.620 7.368 8.083 1.00 0.00 H new ATOM 0 HG SER A 56 1.346 7.429 9.332 1.00 0.00 H new ATOM 794 N LEU A 57 -0.688 6.582 5.418 1.00 0.00 N ATOM 795 CA LEU A 57 -0.626 5.363 4.618 1.00 0.00 C ATOM 796 C LEU A 57 -0.123 5.659 3.221 1.00 0.00 C ATOM 797 O LEU A 57 0.575 4.855 2.606 1.00 0.00 O ATOM 798 CB LEU A 57 -2.016 4.736 4.517 1.00 0.00 C ATOM 799 CG LEU A 57 -2.585 4.525 5.918 1.00 0.00 C ATOM 800 CD1 LEU A 57 -4.115 4.501 5.856 1.00 0.00 C ATOM 801 CD2 LEU A 57 -2.074 3.196 6.468 1.00 0.00 C ATOM 0 H LEU A 57 -1.612 6.798 5.792 1.00 0.00 H new ATOM 0 HA LEU A 57 0.062 4.674 5.107 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.676 5.382 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.959 3.784 3.989 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.267 5.340 6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.517 4.350 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.478 5.449 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.440 3.687 5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.476 3.038 7.469 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.395 2.384 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.985 3.216 6.513 1.00 0.00 H new ATOM 813 N LEU A 58 -0.524 6.806 2.723 1.00 0.00 N ATOM 814 CA LEU A 58 -0.161 7.217 1.372 1.00 0.00 C ATOM 815 C LEU A 58 1.207 7.886 1.293 1.00 0.00 C ATOM 816 O LEU A 58 1.956 7.667 0.342 1.00 0.00 O ATOM 817 CB LEU A 58 -1.219 8.171 0.831 1.00 0.00 C ATOM 818 CG LEU A 58 -2.337 7.368 0.162 1.00 0.00 C ATOM 819 CD1 LEU A 58 -2.800 6.226 1.069 1.00 0.00 C ATOM 820 CD2 LEU A 58 -3.504 8.308 -0.159 1.00 0.00 C ATOM 0 H LEU A 58 -1.103 7.477 3.228 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.108 6.310 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.626 8.776 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.771 8.858 0.113 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.962 6.927 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.595 5.668 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.961 5.560 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.174 6.635 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.305 7.744 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.875 8.756 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.163 9.094 -0.833 1.00 0.00 H new ATOM 832 N THR A 59 1.518 8.717 2.267 1.00 0.00 N ATOM 833 CA THR A 59 2.795 9.430 2.259 1.00 0.00 C ATOM 834 C THR A 59 3.841 8.729 3.117 1.00 0.00 C ATOM 835 O THR A 59 4.923 9.269 3.347 1.00 0.00 O ATOM 836 CB THR A 59 2.602 10.866 2.749 1.00 0.00 C ATOM 837 OG1 THR A 59 3.872 11.451 3.006 1.00 0.00 O ATOM 838 CG2 THR A 59 1.768 10.868 4.028 1.00 0.00 C ATOM 0 H THR A 59 0.919 8.919 3.067 1.00 0.00 H new ATOM 0 HA THR A 59 3.157 9.440 1.231 1.00 0.00 H new ATOM 0 HB THR A 59 2.083 11.443 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.577 10.794 2.827 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.633 11.893 4.373 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.794 10.422 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.281 10.291 4.797 1.00 0.00 H new ATOM 846 N ASP A 60 3.527 7.526 3.584 1.00 0.00 N ATOM 847 CA ASP A 60 4.467 6.771 4.408 1.00 0.00 C ATOM 848 C ASP A 60 5.790 6.557 3.667 1.00 0.00 C ATOM 849 O ASP A 60 6.586 5.697 4.043 1.00 0.00 O ATOM 850 CB ASP A 60 3.859 5.413 4.777 1.00 0.00 C ATOM 851 CG ASP A 60 3.817 5.253 6.294 1.00 0.00 C ATOM 852 OD1 ASP A 60 4.786 5.621 6.936 1.00 0.00 O ATOM 853 OD2 ASP A 60 2.816 4.762 6.789 1.00 0.00 O ATOM 0 H ASP A 60 2.639 7.055 3.409 1.00 0.00 H new ATOM 0 HA ASP A 60 4.665 7.342 5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.852 5.333 4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.448 4.610 4.335 1.00 0.00 H new ATOM 858 N GLU A 61 6.019 7.347 2.617 1.00 0.00 N ATOM 859 CA GLU A 61 7.244 7.242 1.837 1.00 0.00 C ATOM 860 C GLU A 61 7.092 6.212 0.722 1.00 0.00 C ATOM 861 O GLU A 61 7.903 5.296 0.596 1.00 0.00 O ATOM 862 CB GLU A 61 8.396 6.847 2.753 1.00 0.00 C ATOM 863 CG GLU A 61 9.716 7.359 2.170 1.00 0.00 C ATOM 864 CD GLU A 61 10.878 6.532 2.711 1.00 0.00 C ATOM 865 OE1 GLU A 61 10.772 5.317 2.697 1.00 0.00 O ATOM 866 OE2 GLU A 61 11.858 7.127 3.129 1.00 0.00 O ATOM 0 H GLU A 61 5.371 8.064 2.291 1.00 0.00 H new ATOM 0 HA GLU A 61 7.452 8.210 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.241 7.263 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.431 5.763 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.691 7.299 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.854 8.409 2.428 1.00 0.00 H new ATOM 873 N ARG A 62 6.042 6.364 -0.084 1.00 0.00 N ATOM 874 CA ARG A 62 5.794 5.438 -1.178 1.00 0.00 C ATOM 875 C ARG A 62 5.687 6.168 -2.509 1.00 0.00 C ATOM 876 O ARG A 62 6.485 5.950 -3.420 1.00 0.00 O ATOM 877 CB ARG A 62 4.501 4.669 -0.915 1.00 0.00 C ATOM 878 CG ARG A 62 3.526 5.549 -0.121 1.00 0.00 C ATOM 879 CD ARG A 62 3.612 5.222 1.374 1.00 0.00 C ATOM 880 NE ARG A 62 3.675 3.779 1.586 1.00 0.00 N ATOM 881 CZ ARG A 62 2.672 2.984 1.231 1.00 0.00 C ATOM 882 NH1 ARG A 62 1.593 3.490 0.698 1.00 0.00 N ATOM 883 NH2 ARG A 62 2.765 1.696 1.419 1.00 0.00 N ATOM 0 H ARG A 62 5.357 7.115 0.002 1.00 0.00 H new ATOM 0 HA ARG A 62 6.635 4.747 -1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.047 4.368 -1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.716 3.756 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.759 6.601 -0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.508 5.389 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.494 5.696 1.804 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.745 5.633 1.891 1.00 0.00 H new ATOM 0 HE ARG A 62 4.506 3.373 2.016 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.519 4.497 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.824 2.878 0.426 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.607 1.301 1.838 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.996 1.084 1.147 1.00 0.00 H new ATOM 897 N VAL A 63 4.685 7.019 -2.609 1.00 0.00 N ATOM 898 CA VAL A 63 4.447 7.780 -3.833 1.00 0.00 C ATOM 899 C VAL A 63 5.758 8.264 -4.443 1.00 0.00 C ATOM 900 O VAL A 63 5.793 8.704 -5.592 1.00 0.00 O ATOM 901 CB VAL A 63 3.540 8.980 -3.545 1.00 0.00 C ATOM 902 CG1 VAL A 63 2.924 9.479 -4.853 1.00 0.00 C ATOM 903 CG2 VAL A 63 2.422 8.557 -2.589 1.00 0.00 C ATOM 0 H VAL A 63 4.018 7.205 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 63 3.956 7.119 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 63 4.128 9.777 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.278 10.333 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.717 9.779 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.337 8.681 -5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.776 9.411 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.835 7.760 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.857 8.199 -1.656 1.00 0.00 H new ATOM 913 N LYS A 64 6.834 8.172 -3.674 1.00 0.00 N ATOM 914 CA LYS A 64 8.145 8.596 -4.159 1.00 0.00 C ATOM 915 C LYS A 64 9.218 7.600 -3.741 1.00 0.00 C ATOM 916 O LYS A 64 9.061 6.874 -2.759 1.00 0.00 O ATOM 917 CB LYS A 64 8.506 9.989 -3.622 1.00 0.00 C ATOM 918 CG LYS A 64 7.556 10.390 -2.490 1.00 0.00 C ATOM 919 CD LYS A 64 7.910 9.607 -1.225 1.00 0.00 C ATOM 920 CE LYS A 64 8.789 10.473 -0.320 1.00 0.00 C ATOM 921 NZ LYS A 64 9.820 11.164 -1.144 1.00 0.00 N ATOM 0 H LYS A 64 6.829 7.811 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 64 8.097 8.639 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.534 9.990 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.451 10.721 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.631 11.461 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.524 10.189 -2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.001 9.316 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.434 8.688 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.177 11.206 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.269 9.855 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.449 11.713 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.377 10.458 -1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.354 11.804 -1.818 1.00 0.00 H new ATOM 935 N GLU A 65 10.311 7.575 -4.493 1.00 0.00 N ATOM 936 CA GLU A 65 11.413 6.669 -4.195 1.00 0.00 C ATOM 937 C GLU A 65 12.738 7.429 -4.204 1.00 0.00 C ATOM 938 O GLU A 65 12.991 8.215 -5.117 1.00 0.00 O ATOM 939 CB GLU A 65 11.464 5.551 -5.238 1.00 0.00 C ATOM 940 CG GLU A 65 10.254 4.632 -5.061 1.00 0.00 C ATOM 941 CD GLU A 65 9.106 5.107 -5.945 1.00 0.00 C ATOM 942 OE1 GLU A 65 9.276 6.113 -6.615 1.00 0.00 O ATOM 943 OE2 GLU A 65 8.072 4.459 -5.939 1.00 0.00 O ATOM 0 H GLU A 65 10.458 8.168 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 65 11.253 6.239 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.468 5.976 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.386 4.980 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.524 3.608 -5.320 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.941 4.625 -4.017 1.00 0.00 H new ATOM 950 N PRO A 66 13.580 7.221 -3.219 1.00 0.00 N ATOM 951 CA PRO A 66 14.902 7.912 -3.135 1.00 0.00 C ATOM 952 C PRO A 66 15.668 7.881 -4.459 1.00 0.00 C ATOM 953 O PRO A 66 15.130 8.219 -5.512 1.00 0.00 O ATOM 954 CB PRO A 66 15.658 7.126 -2.064 1.00 0.00 C ATOM 955 CG PRO A 66 14.611 6.505 -1.204 1.00 0.00 C ATOM 956 CD PRO A 66 13.369 6.314 -2.075 1.00 0.00 C ATOM 0 HA PRO A 66 14.785 8.970 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 66 16.296 6.366 -2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 66 16.305 7.781 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 66 14.955 5.549 -0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.387 7.142 -0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 66 13.268 5.279 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.459 6.566 -1.530 1.00 0.00 H new ATOM 964 N SER A 67 16.934 7.476 -4.394 1.00 0.00 N ATOM 965 CA SER A 67 17.764 7.410 -5.590 1.00 0.00 C ATOM 966 C SER A 67 17.550 8.648 -6.453 1.00 0.00 C ATOM 967 O SER A 67 17.626 8.585 -7.679 1.00 0.00 O ATOM 968 CB SER A 67 17.424 6.157 -6.397 1.00 0.00 C ATOM 969 OG SER A 67 16.291 6.418 -7.215 1.00 0.00 O ATOM 0 H SER A 67 17.402 7.191 -3.534 1.00 0.00 H new ATOM 0 HA SER A 67 18.809 7.368 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.274 5.867 -7.015 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.218 5.323 -5.726 1.00 0.00 H new ATOM 0 HG SER A 67 15.672 7.008 -6.737 1.00 0.00 H new ATOM 975 N GLN A 68 17.278 9.773 -5.800 1.00 0.00 N ATOM 976 CA GLN A 68 17.052 11.024 -6.515 1.00 0.00 C ATOM 977 C GLN A 68 17.914 11.090 -7.770 1.00 0.00 C ATOM 978 O GLN A 68 19.014 10.539 -7.809 1.00 0.00 O ATOM 979 CB GLN A 68 17.384 12.209 -5.607 1.00 0.00 C ATOM 980 CG GLN A 68 16.089 12.813 -5.059 1.00 0.00 C ATOM 981 CD GLN A 68 15.393 13.624 -6.146 1.00 0.00 C ATOM 982 OE1 GLN A 68 14.601 14.516 -5.845 1.00 0.00 O ATOM 983 NE2 GLN A 68 15.644 13.367 -7.400 1.00 0.00 N ATOM 0 H GLN A 68 17.209 9.845 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 68 16.003 11.068 -6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 68 18.022 11.883 -4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.942 12.962 -6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.429 12.021 -4.706 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.309 13.450 -4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.301 12.627 -7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.183 13.906 -8.133 1.00 0.00 H new ATOM 992 N ASP A 69 17.407 11.766 -8.797 1.00 0.00 N ATOM 993 CA ASP A 69 18.144 11.897 -10.048 1.00 0.00 C ATOM 994 C ASP A 69 19.182 12.997 -9.939 1.00 0.00 C ATOM 995 O ASP A 69 20.229 12.960 -10.586 1.00 0.00 O ATOM 996 CB ASP A 69 17.182 12.212 -11.191 1.00 0.00 C ATOM 997 CG ASP A 69 15.931 11.349 -11.073 1.00 0.00 C ATOM 998 OD1 ASP A 69 16.071 10.138 -11.031 1.00 0.00 O ATOM 999 OD2 ASP A 69 14.850 11.913 -11.027 1.00 0.00 O ATOM 0 H ASP A 69 16.497 12.227 -8.788 1.00 0.00 H new ATOM 0 HA ASP A 69 18.650 10.953 -10.251 1.00 0.00 H new ATOM 0 HB2 ASP A 69 16.909 13.267 -11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.670 12.030 -12.149 1.00 0.00 H new ATOM 1004 N THR A 70 18.873 13.969 -9.108 1.00 0.00 N ATOM 1005 CA THR A 70 19.767 15.100 -8.886 1.00 0.00 C ATOM 1006 C THR A 70 20.182 15.166 -7.421 1.00 0.00 C ATOM 1007 O THR A 70 19.345 15.077 -6.523 1.00 0.00 O ATOM 1008 CB THR A 70 19.074 16.406 -9.282 1.00 0.00 C ATOM 1009 OG1 THR A 70 18.104 16.741 -8.300 1.00 0.00 O ATOM 1010 CG2 THR A 70 18.392 16.233 -10.639 1.00 0.00 C ATOM 0 H THR A 70 18.007 14.004 -8.570 1.00 0.00 H new ATOM 0 HA THR A 70 20.656 14.964 -9.502 1.00 0.00 H new ATOM 0 HB THR A 70 19.813 17.204 -9.350 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.229 16.174 -7.510 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.899 17.164 -10.920 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.138 15.976 -11.391 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.652 15.435 -10.575 1.00 0.00 H new ATOM 1018 N VAL A 71 21.480 15.319 -7.187 1.00 0.00 N ATOM 1019 CA VAL A 71 21.995 15.391 -5.827 1.00 0.00 C ATOM 1020 C VAL A 71 23.174 16.353 -5.749 1.00 0.00 C ATOM 1021 O VAL A 71 24.114 16.266 -6.540 1.00 0.00 O ATOM 1022 CB VAL A 71 22.435 14.003 -5.365 1.00 0.00 C ATOM 1023 CG1 VAL A 71 21.213 13.090 -5.263 1.00 0.00 C ATOM 1024 CG2 VAL A 71 23.422 13.419 -6.380 1.00 0.00 C ATOM 0 H VAL A 71 22.190 15.395 -7.916 1.00 0.00 H new ATOM 0 HA VAL A 71 21.201 15.757 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 71 22.916 14.079 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 71 21.526 12.099 -4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 71 20.507 13.506 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 71 20.734 13.013 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 71 23.737 12.428 -6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 71 22.939 13.342 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 71 24.293 14.070 -6.457 1.00 0.00 H new ATOM 1034 N ALA A 72 23.120 17.270 -4.790 1.00 0.00 N ATOM 1035 CA ALA A 72 24.194 18.242 -4.618 1.00 0.00 C ATOM 1036 C ALA A 72 25.542 17.539 -4.587 1.00 0.00 C ATOM 1037 O ALA A 72 26.539 18.048 -5.098 1.00 0.00 O ATOM 1038 CB ALA A 72 23.989 19.019 -3.317 1.00 0.00 C ATOM 0 H ALA A 72 22.352 17.361 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 72 24.176 18.935 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.795 19.743 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 72 23.033 19.542 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 72 23.993 18.327 -2.475 1.00 0.00 H new ATOM 1044 N THR A 73 25.550 16.362 -3.986 1.00 0.00 N ATOM 1045 CA THR A 73 26.768 15.563 -3.877 1.00 0.00 C ATOM 1046 C THR A 73 26.471 14.221 -3.216 1.00 0.00 C ATOM 1047 O THR A 73 26.570 13.169 -3.847 1.00 0.00 O ATOM 1048 CB THR A 73 27.818 16.311 -3.048 1.00 0.00 C ATOM 1049 OG1 THR A 73 28.172 17.519 -3.704 1.00 0.00 O ATOM 1050 CG2 THR A 73 29.060 15.433 -2.884 1.00 0.00 C ATOM 0 H THR A 73 24.726 15.933 -3.563 1.00 0.00 H new ATOM 0 HA THR A 73 27.152 15.390 -4.882 1.00 0.00 H new ATOM 0 HB THR A 73 27.406 16.542 -2.066 1.00 0.00 H new ATOM 0 HG1 THR A 73 27.788 17.526 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 73 29.807 15.965 -2.294 1.00 0.00 H new ATOM 0 HG22 THR A 73 28.787 14.508 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 73 29.472 15.199 -3.865 1.00 0.00 H new ATOM 1058 N GLU A 74 26.112 14.271 -1.937 1.00 0.00 N ATOM 1059 CA GLU A 74 25.805 13.059 -1.182 1.00 0.00 C ATOM 1060 C GLU A 74 25.084 12.030 -2.054 1.00 0.00 C ATOM 1061 O GLU A 74 23.885 12.152 -2.305 1.00 0.00 O ATOM 1062 CB GLU A 74 24.920 13.409 0.015 1.00 0.00 C ATOM 1063 CG GLU A 74 24.036 14.608 -0.334 1.00 0.00 C ATOM 1064 CD GLU A 74 22.992 14.820 0.756 1.00 0.00 C ATOM 1065 OE1 GLU A 74 21.973 14.151 0.712 1.00 0.00 O ATOM 1066 OE2 GLU A 74 23.227 15.648 1.620 1.00 0.00 O ATOM 0 H GLU A 74 26.026 15.135 -1.402 1.00 0.00 H new ATOM 0 HA GLU A 74 26.746 12.627 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 74 24.300 12.554 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 74 25.539 13.640 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 74 24.649 15.503 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 74 23.544 14.441 -1.292 1.00 0.00 H new ATOM 1073 N PRO A 75 25.783 11.018 -2.506 1.00 0.00 N ATOM 1074 CA PRO A 75 25.190 9.946 -3.349 1.00 0.00 C ATOM 1075 C PRO A 75 24.484 8.888 -2.505 1.00 0.00 C ATOM 1076 O PRO A 75 24.697 8.806 -1.295 1.00 0.00 O ATOM 1077 CB PRO A 75 26.401 9.356 -4.067 1.00 0.00 C ATOM 1078 CG PRO A 75 27.559 9.578 -3.148 1.00 0.00 C ATOM 1079 CD PRO A 75 27.217 10.786 -2.266 1.00 0.00 C ATOM 0 HA PRO A 75 24.426 10.322 -4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 75 26.258 8.294 -4.269 1.00 0.00 H new ATOM 0 HB3 PRO A 75 26.564 9.844 -5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 75 27.739 8.694 -2.536 1.00 0.00 H new ATOM 0 HG3 PRO A 75 28.471 9.763 -3.716 1.00 0.00 H new ATOM 0 HD2 PRO A 75 27.416 10.580 -1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 75 27.812 11.658 -2.538 1.00 0.00 H new ATOM 1087 N SER A 76 23.646 8.079 -3.146 1.00 0.00 N ATOM 1088 CA SER A 76 22.921 7.032 -2.433 1.00 0.00 C ATOM 1089 C SER A 76 23.439 5.654 -2.830 1.00 0.00 C ATOM 1090 O SER A 76 24.566 5.515 -3.305 1.00 0.00 O ATOM 1091 CB SER A 76 21.425 7.120 -2.740 1.00 0.00 C ATOM 1092 OG SER A 76 21.126 8.415 -3.247 1.00 0.00 O ATOM 0 H SER A 76 23.453 8.126 -4.146 1.00 0.00 H new ATOM 0 HA SER A 76 23.080 7.177 -1.364 1.00 0.00 H new ATOM 0 HB2 SER A 76 21.146 6.358 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 76 20.845 6.927 -1.838 1.00 0.00 H new ATOM 0 HG SER A 76 20.168 8.475 -3.447 1.00 0.00 H new ATOM 1098 N GLU A 77 22.605 4.640 -2.631 1.00 0.00 N ATOM 1099 CA GLU A 77 22.982 3.274 -2.969 1.00 0.00 C ATOM 1100 C GLU A 77 21.929 2.628 -3.855 1.00 0.00 C ATOM 1101 O GLU A 77 21.875 2.869 -5.059 1.00 0.00 O ATOM 1102 CB GLU A 77 23.148 2.443 -1.697 1.00 0.00 C ATOM 1103 CG GLU A 77 24.196 3.093 -0.793 1.00 0.00 C ATOM 1104 CD GLU A 77 23.675 4.427 -0.269 1.00 0.00 C ATOM 1105 OE1 GLU A 77 22.493 4.507 0.020 1.00 0.00 O ATOM 1106 OE2 GLU A 77 24.467 5.350 -0.167 1.00 0.00 O ATOM 0 H GLU A 77 21.668 4.737 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 77 23.928 3.309 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 77 22.196 2.369 -1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 77 23.452 1.427 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 77 24.430 2.431 0.041 1.00 0.00 H new ATOM 0 HG3 GLU A 77 25.122 3.247 -1.347 1.00 0.00 H new ATOM 1113 N VAL A 78 21.102 1.798 -3.239 1.00 0.00 N ATOM 1114 CA VAL A 78 20.050 1.098 -3.959 1.00 0.00 C ATOM 1115 C VAL A 78 19.017 0.543 -2.982 1.00 0.00 C ATOM 1116 O VAL A 78 18.748 1.148 -1.944 1.00 0.00 O ATOM 1117 CB VAL A 78 20.668 -0.041 -4.770 1.00 0.00 C ATOM 1118 CG1 VAL A 78 21.123 -1.153 -3.824 1.00 0.00 C ATOM 1119 CG2 VAL A 78 19.639 -0.591 -5.759 1.00 0.00 C ATOM 0 H VAL A 78 21.139 1.592 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 78 19.549 1.795 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 78 21.528 0.336 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 78 21.564 -1.965 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.864 -0.759 -3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.266 -1.529 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 78 20.085 -1.402 -6.334 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.774 -0.966 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 78 19.324 0.203 -6.436 1.00 0.00 H new ATOM 1129 N GLU A 79 18.441 -0.607 -3.316 1.00 0.00 N ATOM 1130 CA GLU A 79 17.441 -1.226 -2.455 1.00 0.00 C ATOM 1131 C GLU A 79 17.587 -2.745 -2.461 1.00 0.00 C ATOM 1132 O GLU A 79 18.098 -3.332 -1.508 1.00 0.00 O ATOM 1133 CB GLU A 79 16.038 -0.841 -2.928 1.00 0.00 C ATOM 1134 CG GLU A 79 15.842 0.667 -2.765 1.00 0.00 C ATOM 1135 CD GLU A 79 14.422 1.053 -3.161 1.00 0.00 C ATOM 1136 OE1 GLU A 79 13.612 0.157 -3.334 1.00 0.00 O ATOM 1137 OE2 GLU A 79 14.164 2.239 -3.287 1.00 0.00 O ATOM 0 H GLU A 79 18.647 -1.125 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 79 17.593 -0.867 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 79 15.903 -1.125 -3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.287 -1.381 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.032 0.957 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.560 1.205 -3.384 1.00 0.00 H new ATOM 1144 N GLY A 80 17.131 -3.375 -3.540 1.00 0.00 N ATOM 1145 CA GLY A 80 17.212 -4.827 -3.656 1.00 0.00 C ATOM 1146 C GLY A 80 18.277 -5.240 -4.667 1.00 0.00 C ATOM 1147 O GLY A 80 18.898 -4.394 -5.312 1.00 0.00 O ATOM 0 H GLY A 80 16.705 -2.907 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.443 -5.260 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.244 -5.225 -3.960 1.00 0.00 H new ATOM 1151 N SER A 81 18.481 -6.547 -4.801 1.00 0.00 N ATOM 1152 CA SER A 81 19.473 -7.067 -5.737 1.00 0.00 C ATOM 1153 C SER A 81 18.793 -7.800 -6.891 1.00 0.00 C ATOM 1154 O SER A 81 17.567 -7.799 -7.004 1.00 0.00 O ATOM 1155 CB SER A 81 20.421 -8.024 -5.014 1.00 0.00 C ATOM 1156 OG SER A 81 20.904 -7.403 -3.829 1.00 0.00 O ATOM 0 H SER A 81 17.976 -7.262 -4.277 1.00 0.00 H new ATOM 0 HA SER A 81 20.039 -6.227 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.902 -8.950 -4.767 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.254 -8.289 -5.665 1.00 0.00 H new ATOM 0 HG SER A 81 21.511 -8.015 -3.363 1.00 0.00 H new ATOM 1162 N ALA A 82 19.600 -8.421 -7.748 1.00 0.00 N ATOM 1163 CA ALA A 82 19.072 -9.151 -8.890 1.00 0.00 C ATOM 1164 C ALA A 82 17.953 -10.095 -8.461 1.00 0.00 C ATOM 1165 O ALA A 82 17.741 -10.321 -7.271 1.00 0.00 O ATOM 1166 CB ALA A 82 20.193 -9.953 -9.553 1.00 0.00 C ATOM 0 H ALA A 82 20.617 -8.432 -7.671 1.00 0.00 H new ATOM 0 HA ALA A 82 18.665 -8.431 -9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 82 19.794 -10.498 -10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.976 -9.274 -9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.609 -10.659 -8.834 1.00 0.00 H new ATOM 1172 N ALA A 83 17.240 -10.643 -9.440 1.00 0.00 N ATOM 1173 CA ALA A 83 16.144 -11.562 -9.154 1.00 0.00 C ATOM 1174 C ALA A 83 16.321 -12.864 -9.929 1.00 0.00 C ATOM 1175 O ALA A 83 17.440 -13.247 -10.273 1.00 0.00 O ATOM 1176 CB ALA A 83 14.809 -10.917 -9.534 1.00 0.00 C ATOM 0 H ALA A 83 17.400 -10.468 -10.432 1.00 0.00 H new ATOM 0 HA ALA A 83 16.149 -11.784 -8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.996 -11.610 -9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.670 -10.002 -8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.810 -10.679 -10.598 1.00 0.00 H new ATOM 1182 N ASN A 84 15.210 -13.543 -10.199 1.00 0.00 N ATOM 1183 CA ASN A 84 15.254 -14.802 -10.934 1.00 0.00 C ATOM 1184 C ASN A 84 14.883 -14.583 -12.396 1.00 0.00 C ATOM 1185 O ASN A 84 14.616 -15.535 -13.128 1.00 0.00 O ATOM 1186 CB ASN A 84 14.289 -15.808 -10.304 1.00 0.00 C ATOM 1187 CG ASN A 84 12.872 -15.559 -10.809 1.00 0.00 C ATOM 1188 OD1 ASN A 84 12.480 -16.088 -11.849 1.00 0.00 O ATOM 1189 ND2 ASN A 84 12.074 -14.780 -10.131 1.00 0.00 N ATOM 0 H ASN A 84 14.275 -13.245 -9.922 1.00 0.00 H new ATOM 0 HA ASN A 84 16.270 -15.194 -10.885 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.598 -16.824 -10.550 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.317 -15.720 -9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.125 -14.609 -10.463 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.400 -14.342 -9.269 1.00 0.00 H new ATOM 1196 N LYS A 85 14.867 -13.321 -12.812 1.00 0.00 N ATOM 1197 CA LYS A 85 14.526 -12.984 -14.190 1.00 0.00 C ATOM 1198 C LYS A 85 15.752 -12.458 -14.930 1.00 0.00 C ATOM 1199 O LYS A 85 16.889 -12.720 -14.536 1.00 0.00 O ATOM 1200 CB LYS A 85 13.423 -11.922 -14.205 1.00 0.00 C ATOM 1201 CG LYS A 85 12.286 -12.370 -15.127 1.00 0.00 C ATOM 1202 CD LYS A 85 11.076 -11.455 -14.926 1.00 0.00 C ATOM 1203 CE LYS A 85 10.143 -11.564 -16.136 1.00 0.00 C ATOM 1204 NZ LYS A 85 10.090 -10.253 -16.844 1.00 0.00 N ATOM 0 H LYS A 85 15.084 -12.520 -12.220 1.00 0.00 H new ATOM 0 HA LYS A 85 14.172 -13.885 -14.692 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.044 -11.764 -13.195 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.827 -10.969 -14.547 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.612 -12.337 -16.167 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.014 -13.403 -14.911 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.543 -11.734 -14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.404 -10.423 -14.799 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.498 -12.341 -16.813 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.144 -11.855 -15.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.456 -10.327 -17.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.732 -9.523 -16.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.044 -9.993 -17.165 1.00 0.00 H new ATOM 1218 N GLU A 86 15.511 -11.709 -16.002 1.00 0.00 N ATOM 1219 CA GLU A 86 16.599 -11.143 -16.793 1.00 0.00 C ATOM 1220 C GLU A 86 17.449 -12.242 -17.420 1.00 0.00 C ATOM 1221 O GLU A 86 18.312 -11.971 -18.254 1.00 0.00 O ATOM 1222 CB GLU A 86 17.479 -10.253 -15.913 1.00 0.00 C ATOM 1223 CG GLU A 86 18.606 -9.651 -16.755 1.00 0.00 C ATOM 1224 CD GLU A 86 18.033 -9.016 -18.017 1.00 0.00 C ATOM 1225 OE1 GLU A 86 17.281 -8.065 -17.888 1.00 0.00 O ATOM 1226 OE2 GLU A 86 18.355 -9.491 -19.094 1.00 0.00 O ATOM 0 H GLU A 86 14.577 -11.481 -16.342 1.00 0.00 H new ATOM 0 HA GLU A 86 16.160 -10.546 -17.592 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.880 -9.459 -15.468 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.897 -10.836 -15.092 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.145 -8.903 -16.174 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.325 -10.426 -17.022 1.00 0.00 H new ATOM 1233 N VAL A 87 17.200 -13.481 -17.017 1.00 0.00 N ATOM 1234 CA VAL A 87 17.953 -14.609 -17.553 1.00 0.00 C ATOM 1235 C VAL A 87 17.057 -15.828 -17.726 1.00 0.00 C ATOM 1236 O VAL A 87 16.307 -16.194 -16.821 1.00 0.00 O ATOM 1237 CB VAL A 87 19.108 -14.966 -16.618 1.00 0.00 C ATOM 1238 CG1 VAL A 87 19.860 -16.176 -17.177 1.00 0.00 C ATOM 1239 CG2 VAL A 87 20.065 -13.778 -16.511 1.00 0.00 C ATOM 0 H VAL A 87 16.490 -13.730 -16.328 1.00 0.00 H new ATOM 0 HA VAL A 87 18.346 -14.316 -18.527 1.00 0.00 H new ATOM 0 HB VAL A 87 18.714 -15.205 -15.630 1.00 0.00 H new ATOM 0 HG11 VAL A 87 20.684 -16.432 -16.511 1.00 0.00 H new ATOM 0 HG12 VAL A 87 19.179 -17.024 -17.254 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.253 -15.936 -18.165 1.00 0.00 H new ATOM 0 HG21 VAL A 87 20.889 -14.033 -15.844 1.00 0.00 H new ATOM 0 HG22 VAL A 87 20.459 -13.538 -17.499 1.00 0.00 H new ATOM 0 HG23 VAL A 87 19.531 -12.915 -16.114 1.00 0.00 H new ATOM 1249 N LEU A 88 17.151 -16.459 -18.889 1.00 0.00 N ATOM 1250 CA LEU A 88 16.357 -17.647 -19.166 1.00 0.00 C ATOM 1251 C LEU A 88 17.132 -18.886 -18.754 1.00 0.00 C ATOM 1252 O LEU A 88 16.563 -19.892 -18.331 1.00 0.00 O ATOM 1253 CB LEU A 88 16.022 -17.717 -20.654 1.00 0.00 C ATOM 1254 CG LEU A 88 14.636 -18.328 -20.834 1.00 0.00 C ATOM 1255 CD1 LEU A 88 14.262 -18.303 -22.315 1.00 0.00 C ATOM 1256 CD2 LEU A 88 14.650 -19.774 -20.334 1.00 0.00 C ATOM 0 H LEU A 88 17.765 -16.170 -19.651 1.00 0.00 H new ATOM 0 HA LEU A 88 15.429 -17.596 -18.597 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.051 -16.719 -21.092 1.00 0.00 H new ATOM 0 HB3 LEU A 88 16.767 -18.317 -21.178 1.00 0.00 H new ATOM 0 HG LEU A 88 13.905 -17.754 -20.264 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.272 -18.739 -22.448 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.256 -17.273 -22.671 1.00 0.00 H new ATOM 0 HD13 LEU A 88 14.991 -18.879 -22.884 1.00 0.00 H new ATOM 0 HD21 LEU A 88 13.660 -20.213 -20.462 1.00 0.00 H new ATOM 0 HD22 LEU A 88 15.378 -20.349 -20.905 1.00 0.00 H new ATOM 0 HD23 LEU A 88 14.921 -19.791 -19.278 1.00 0.00 H new ATOM 1268 N ALA A 89 18.441 -18.783 -18.872 1.00 0.00 N ATOM 1269 CA ALA A 89 19.335 -19.868 -18.506 1.00 0.00 C ATOM 1270 C ALA A 89 18.898 -21.180 -19.147 1.00 0.00 C ATOM 1271 O ALA A 89 17.781 -21.296 -19.653 1.00 0.00 O ATOM 1272 CB ALA A 89 19.357 -20.019 -16.987 1.00 0.00 C ATOM 0 H ALA A 89 18.915 -17.950 -19.222 1.00 0.00 H new ATOM 0 HA ALA A 89 20.334 -19.628 -18.869 1.00 0.00 H new ATOM 0 HB1 ALA A 89 20.028 -20.833 -16.712 1.00 0.00 H new ATOM 0 HB2 ALA A 89 19.707 -19.091 -16.534 1.00 0.00 H new ATOM 0 HB3 ALA A 89 18.352 -20.240 -16.629 1.00 0.00 H new ATOM 1278 N LYS A 90 19.792 -22.163 -19.129 1.00 0.00 N ATOM 1279 CA LYS A 90 19.497 -23.461 -19.716 1.00 0.00 C ATOM 1280 C LYS A 90 19.378 -24.533 -18.641 1.00 0.00 C ATOM 1281 O LYS A 90 18.887 -24.274 -17.542 1.00 0.00 O ATOM 1282 CB LYS A 90 20.605 -23.850 -20.693 1.00 0.00 C ATOM 1283 CG LYS A 90 19.994 -24.545 -21.911 1.00 0.00 C ATOM 1284 CD LYS A 90 19.745 -23.518 -23.023 1.00 0.00 C ATOM 1285 CE LYS A 90 18.478 -22.710 -22.721 1.00 0.00 C ATOM 1286 NZ LYS A 90 17.377 -23.631 -22.315 1.00 0.00 N ATOM 0 H LYS A 90 20.721 -22.085 -18.716 1.00 0.00 H new ATOM 0 HA LYS A 90 18.545 -23.387 -20.242 1.00 0.00 H new ATOM 0 HB2 LYS A 90 21.156 -22.963 -21.006 1.00 0.00 H new ATOM 0 HB3 LYS A 90 21.319 -24.512 -20.204 1.00 0.00 H new ATOM 0 HG2 LYS A 90 20.663 -25.327 -22.269 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.058 -25.029 -21.634 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.601 -22.848 -23.108 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.641 -24.026 -23.982 1.00 0.00 H new ATOM 0 HE2 LYS A 90 18.675 -21.991 -21.926 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.181 -22.139 -23.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.465 -23.239 -22.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.522 -24.561 -22.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.376 -23.736 -21.280 1.00 0.00 H new ATOM 1300 N VAL A 91 19.831 -25.740 -18.969 1.00 0.00 N ATOM 1301 CA VAL A 91 19.768 -26.845 -18.026 1.00 0.00 C ATOM 1302 C VAL A 91 21.132 -27.514 -17.879 1.00 0.00 C ATOM 1303 O VAL A 91 21.260 -28.537 -17.208 1.00 0.00 O ATOM 1304 CB VAL A 91 18.742 -27.877 -18.493 1.00 0.00 C ATOM 1305 CG1 VAL A 91 19.204 -28.499 -19.813 1.00 0.00 C ATOM 1306 CG2 VAL A 91 18.603 -28.973 -17.434 1.00 0.00 C ATOM 0 H VAL A 91 20.242 -25.974 -19.873 1.00 0.00 H new ATOM 0 HA VAL A 91 19.468 -26.446 -17.057 1.00 0.00 H new ATOM 0 HB VAL A 91 17.779 -27.389 -18.641 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.471 -29.235 -20.145 1.00 0.00 H new ATOM 0 HG12 VAL A 91 19.302 -27.719 -20.568 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.168 -28.987 -19.668 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.871 -29.709 -17.766 1.00 0.00 H new ATOM 0 HG22 VAL A 91 19.567 -29.460 -17.286 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.272 -28.531 -16.494 1.00 0.00 H new ATOM 1316 N ILE A 92 22.148 -26.930 -18.507 1.00 0.00 N ATOM 1317 CA ILE A 92 23.494 -27.484 -18.429 1.00 0.00 C ATOM 1318 C ILE A 92 23.794 -27.954 -17.008 1.00 0.00 C ATOM 1319 O ILE A 92 23.111 -27.562 -16.061 1.00 0.00 O ATOM 1320 CB ILE A 92 24.519 -26.430 -18.850 1.00 0.00 C ATOM 1321 CG1 ILE A 92 24.553 -25.310 -17.807 1.00 0.00 C ATOM 1322 CG2 ILE A 92 24.126 -25.847 -20.209 1.00 0.00 C ATOM 1323 CD1 ILE A 92 25.519 -24.217 -18.267 1.00 0.00 C ATOM 0 H ILE A 92 22.066 -26.083 -19.069 1.00 0.00 H new ATOM 0 HA ILE A 92 23.557 -28.338 -19.104 1.00 0.00 H new ATOM 0 HB ILE A 92 25.504 -26.891 -18.925 1.00 0.00 H new ATOM 0 HG12 ILE A 92 23.555 -24.895 -17.671 1.00 0.00 H new ATOM 0 HG13 ILE A 92 24.868 -25.706 -16.842 1.00 0.00 H new ATOM 0 HG21 ILE A 92 24.857 -25.096 -20.508 1.00 0.00 H new ATOM 0 HG22 ILE A 92 24.099 -26.644 -20.953 1.00 0.00 H new ATOM 0 HG23 ILE A 92 23.141 -25.386 -20.136 1.00 0.00 H new ATOM 0 HD11 ILE A 92 25.545 -23.418 -17.526 1.00 0.00 H new ATOM 0 HD12 ILE A 92 26.518 -24.638 -18.381 1.00 0.00 H new ATOM 0 HD13 ILE A 92 25.184 -23.814 -19.223 1.00 0.00 H new ATOM 1335 N ASP A 93 24.815 -28.792 -16.866 1.00 0.00 N ATOM 1336 CA ASP A 93 25.191 -29.304 -15.552 1.00 0.00 C ATOM 1337 C ASP A 93 26.404 -30.215 -15.660 1.00 0.00 C ATOM 1338 O ASP A 93 26.338 -31.290 -16.257 1.00 0.00 O ATOM 1339 CB ASP A 93 24.022 -30.075 -14.932 1.00 0.00 C ATOM 1340 CG ASP A 93 24.375 -30.503 -13.512 1.00 0.00 C ATOM 1341 OD1 ASP A 93 25.488 -30.960 -13.311 1.00 0.00 O ATOM 1342 OD2 ASP A 93 23.526 -30.367 -12.646 1.00 0.00 O ATOM 0 H ASP A 93 25.393 -29.129 -17.636 1.00 0.00 H new ATOM 0 HA ASP A 93 25.443 -28.457 -14.914 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.129 -29.451 -14.921 1.00 0.00 H new ATOM 0 HB3 ASP A 93 23.791 -30.951 -15.538 1.00 0.00 H new ATOM 1347 N LEU A 94 27.511 -29.772 -15.082 1.00 0.00 N ATOM 1348 CA LEU A 94 28.739 -30.549 -15.121 1.00 0.00 C ATOM 1349 C LEU A 94 29.170 -30.941 -13.719 1.00 0.00 C ATOM 1350 O LEU A 94 29.452 -32.106 -13.440 1.00 0.00 O ATOM 1351 CB LEU A 94 29.837 -29.738 -15.803 1.00 0.00 C ATOM 1352 CG LEU A 94 30.168 -28.488 -14.984 1.00 0.00 C ATOM 1353 CD1 LEU A 94 31.268 -28.811 -13.969 1.00 0.00 C ATOM 1354 CD2 LEU A 94 30.661 -27.387 -15.926 1.00 0.00 C ATOM 0 H LEU A 94 27.583 -28.885 -14.584 1.00 0.00 H new ATOM 0 HA LEU A 94 28.560 -31.462 -15.690 1.00 0.00 H new ATOM 0 HB2 LEU A 94 30.731 -30.351 -15.919 1.00 0.00 H new ATOM 0 HB3 LEU A 94 29.516 -29.450 -16.804 1.00 0.00 H new ATOM 0 HG LEU A 94 29.275 -28.154 -14.456 1.00 0.00 H new ATOM 0 HD11 LEU A 94 31.501 -27.918 -13.388 1.00 0.00 H new ATOM 0 HD12 LEU A 94 30.925 -29.600 -13.300 1.00 0.00 H new ATOM 0 HD13 LEU A 94 32.162 -29.145 -14.495 1.00 0.00 H new ATOM 0 HD21 LEU A 94 30.899 -26.494 -15.349 1.00 0.00 H new ATOM 0 HD22 LEU A 94 31.554 -27.729 -16.449 1.00 0.00 H new ATOM 0 HD23 LEU A 94 29.882 -27.153 -16.652 1.00 0.00 H new ATOM 1366 N THR A 95 29.215 -29.953 -12.852 1.00 0.00 N ATOM 1367 CA THR A 95 29.607 -30.169 -11.461 1.00 0.00 C ATOM 1368 C THR A 95 28.784 -31.294 -10.841 1.00 0.00 C ATOM 1369 O THR A 95 28.380 -32.235 -11.522 1.00 0.00 O ATOM 1370 CB THR A 95 29.395 -28.892 -10.642 1.00 0.00 C ATOM 1371 OG1 THR A 95 29.608 -27.754 -11.466 1.00 0.00 O ATOM 1372 CG2 THR A 95 30.376 -28.868 -9.468 1.00 0.00 C ATOM 0 H THR A 95 28.985 -28.986 -13.079 1.00 0.00 H new ATOM 0 HA THR A 95 30.662 -30.441 -11.449 1.00 0.00 H new ATOM 0 HB THR A 95 28.374 -28.873 -10.261 1.00 0.00 H new ATOM 0 HG1 THR A 95 29.470 -26.939 -10.940 1.00 0.00 H new ATOM 0 HG21 THR A 95 30.225 -27.959 -8.886 1.00 0.00 H new ATOM 0 HG22 THR A 95 30.206 -29.738 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 95 31.398 -28.890 -9.847 1.00 0.00 H new ATOM 1380 N HIS A 96 28.537 -31.180 -9.541 1.00 0.00 N ATOM 1381 CA HIS A 96 27.757 -32.184 -8.828 1.00 0.00 C ATOM 1382 C HIS A 96 27.252 -31.621 -7.504 1.00 0.00 C ATOM 1383 O HIS A 96 27.518 -30.465 -7.171 1.00 0.00 O ATOM 1384 CB HIS A 96 28.612 -33.424 -8.563 1.00 0.00 C ATOM 1385 CG HIS A 96 28.693 -34.252 -9.814 1.00 0.00 C ATOM 1386 ND1 HIS A 96 27.582 -34.871 -10.363 1.00 0.00 N ATOM 1387 CD2 HIS A 96 29.744 -34.569 -10.638 1.00 0.00 C ATOM 1388 CE1 HIS A 96 27.985 -35.523 -11.468 1.00 0.00 C ATOM 1389 NE2 HIS A 96 29.295 -35.372 -11.681 1.00 0.00 N ATOM 0 H HIS A 96 28.864 -30.406 -8.962 1.00 0.00 H new ATOM 0 HA HIS A 96 26.903 -32.461 -9.446 1.00 0.00 H new ATOM 0 HB2 HIS A 96 29.612 -33.128 -8.244 1.00 0.00 H new ATOM 0 HB3 HIS A 96 28.179 -34.011 -7.753 1.00 0.00 H new ATOM 0 HD2 HIS A 96 30.764 -34.244 -10.498 1.00 0.00 H new ATOM 0 HE1 HIS A 96 27.330 -36.098 -12.105 1.00 0.00 H new ATOM 0 HE2 HIS A 96 29.847 -35.762 -12.445 1.00 0.00 H new ATOM 1397 N ASP A 97 26.522 -32.439 -6.755 1.00 0.00 N ATOM 1398 CA ASP A 97 25.988 -32.002 -5.473 1.00 0.00 C ATOM 1399 C ASP A 97 25.683 -30.509 -5.512 1.00 0.00 C ATOM 1400 O ASP A 97 25.928 -29.786 -4.547 1.00 0.00 O ATOM 1401 CB ASP A 97 26.996 -32.292 -4.358 1.00 0.00 C ATOM 1402 CG ASP A 97 28.157 -31.306 -4.434 1.00 0.00 C ATOM 1403 OD1 ASP A 97 29.004 -31.485 -5.294 1.00 0.00 O ATOM 1404 OD2 ASP A 97 28.184 -30.389 -3.630 1.00 0.00 O ATOM 0 H ASP A 97 26.289 -33.399 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 97 25.066 -32.549 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 97 26.507 -32.217 -3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 97 27.368 -33.312 -4.450 1.00 0.00 H new ATOM 1409 N ASN A 98 25.150 -30.055 -6.643 1.00 0.00 N ATOM 1410 CA ASN A 98 24.817 -28.646 -6.812 1.00 0.00 C ATOM 1411 C ASN A 98 23.948 -28.148 -5.657 1.00 0.00 C ATOM 1412 O ASN A 98 24.355 -28.209 -4.497 1.00 0.00 O ATOM 1413 CB ASN A 98 24.090 -28.436 -8.141 1.00 0.00 C ATOM 1414 CG ASN A 98 24.894 -29.058 -9.278 1.00 0.00 C ATOM 1415 OD1 ASN A 98 24.451 -30.025 -9.897 1.00 0.00 O ATOM 1416 ND2 ASN A 98 26.059 -28.557 -9.593 1.00 0.00 N ATOM 0 H ASN A 98 24.941 -30.640 -7.452 1.00 0.00 H new ATOM 0 HA ASN A 98 25.744 -28.073 -6.815 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.098 -28.886 -8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 98 23.950 -27.371 -8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 98 26.602 -28.967 -10.353 1.00 0.00 H new ATOM 0 HD22 ASN A 98 26.425 -27.755 -9.079 1.00 0.00 H new ATOM 1423 N LYS A 99 22.761 -27.635 -5.978 1.00 0.00 N ATOM 1424 CA LYS A 99 21.871 -27.111 -4.954 1.00 0.00 C ATOM 1425 C LYS A 99 20.421 -27.530 -5.189 1.00 0.00 C ATOM 1426 O LYS A 99 20.060 -28.695 -5.034 1.00 0.00 O ATOM 1427 CB LYS A 99 21.955 -25.592 -4.963 1.00 0.00 C ATOM 1428 CG LYS A 99 21.943 -25.096 -6.410 1.00 0.00 C ATOM 1429 CD LYS A 99 21.648 -23.595 -6.440 1.00 0.00 C ATOM 1430 CE LYS A 99 21.619 -23.112 -7.891 1.00 0.00 C ATOM 1431 NZ LYS A 99 22.975 -22.637 -8.283 1.00 0.00 N ATOM 0 H LYS A 99 22.400 -27.573 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 99 22.185 -27.516 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 99 21.116 -25.166 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 99 22.865 -25.263 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 99 22.905 -25.296 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.189 -25.636 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.692 -23.391 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 99 22.409 -23.052 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 99 21.301 -23.921 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.893 -22.306 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.956 -22.308 -9.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 23.261 -21.853 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 23.656 -23.417 -8.191 1.00 0.00 H new ATOM 1445 N ASP A 100 19.591 -26.555 -5.541 1.00 0.00 N ATOM 1446 CA ASP A 100 18.172 -26.805 -5.776 1.00 0.00 C ATOM 1447 C ASP A 100 17.958 -27.790 -6.921 1.00 0.00 C ATOM 1448 O ASP A 100 16.926 -28.459 -6.985 1.00 0.00 O ATOM 1449 CB ASP A 100 17.466 -25.489 -6.102 1.00 0.00 C ATOM 1450 CG ASP A 100 18.349 -24.313 -5.699 1.00 0.00 C ATOM 1451 OD1 ASP A 100 19.022 -24.422 -4.688 1.00 0.00 O ATOM 1452 OD2 ASP A 100 18.339 -23.320 -6.408 1.00 0.00 O ATOM 0 H ASP A 100 19.875 -25.584 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 100 17.754 -27.242 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.244 -25.440 -7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 100 16.513 -25.437 -5.575 1.00 0.00 H new ATOM 1457 N ASP A 101 18.922 -27.867 -7.830 1.00 0.00 N ATOM 1458 CA ASP A 101 18.800 -28.768 -8.971 1.00 0.00 C ATOM 1459 C ASP A 101 18.580 -30.208 -8.513 1.00 0.00 C ATOM 1460 O ASP A 101 17.549 -30.817 -8.822 1.00 0.00 O ATOM 1461 CB ASP A 101 20.065 -28.691 -9.828 1.00 0.00 C ATOM 1462 CG ASP A 101 20.586 -27.259 -9.860 1.00 0.00 C ATOM 1463 OD1 ASP A 101 19.792 -26.356 -9.652 1.00 0.00 O ATOM 1464 OD2 ASP A 101 21.772 -27.085 -10.090 1.00 0.00 O ATOM 0 H ASP A 101 19.786 -27.325 -7.802 1.00 0.00 H new ATOM 0 HA ASP A 101 17.936 -28.458 -9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 101 20.829 -29.356 -9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 101 19.849 -29.031 -10.841 1.00 0.00 H new ATOM 1469 N LEU A 102 19.539 -30.755 -7.771 1.00 0.00 N ATOM 1470 CA LEU A 102 19.399 -32.127 -7.297 1.00 0.00 C ATOM 1471 C LEU A 102 18.558 -32.195 -6.033 1.00 0.00 C ATOM 1472 O LEU A 102 18.027 -33.243 -5.718 1.00 0.00 O ATOM 1473 CB LEU A 102 20.758 -32.834 -7.085 1.00 0.00 C ATOM 1474 CG LEU A 102 21.678 -32.079 -6.111 1.00 0.00 C ATOM 1475 CD1 LEU A 102 21.960 -30.678 -6.639 1.00 0.00 C ATOM 1476 CD2 LEU A 102 21.039 -31.995 -4.720 1.00 0.00 C ATOM 0 H LEU A 102 20.399 -30.284 -7.491 1.00 0.00 H new ATOM 0 HA LEU A 102 18.880 -32.667 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 102 20.583 -33.841 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 102 21.262 -32.938 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 102 22.617 -32.626 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 102 22.612 -30.151 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 102 22.448 -30.747 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 102 21.022 -30.132 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 102 21.705 -31.457 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.088 -31.467 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 102 20.869 -33.001 -4.336 1.00 0.00 H new ATOM 1488 N GLN A 103 18.408 -31.089 -5.314 1.00 0.00 N ATOM 1489 CA GLN A 103 17.588 -31.122 -4.107 1.00 0.00 C ATOM 1490 C GLN A 103 16.148 -31.337 -4.504 1.00 0.00 C ATOM 1491 O GLN A 103 15.384 -32.032 -3.831 1.00 0.00 O ATOM 1492 CB GLN A 103 17.713 -29.815 -3.321 1.00 0.00 C ATOM 1493 CG GLN A 103 18.449 -30.072 -2.001 1.00 0.00 C ATOM 1494 CD GLN A 103 18.262 -28.887 -1.059 1.00 0.00 C ATOM 1495 OE1 GLN A 103 18.608 -28.969 0.120 1.00 0.00 O ATOM 1496 NE2 GLN A 103 17.734 -27.783 -1.510 1.00 0.00 N ATOM 0 H GLN A 103 18.827 -30.186 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 103 17.932 -31.936 -3.468 1.00 0.00 H new ATOM 0 HB2 GLN A 103 18.253 -29.075 -3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 103 16.724 -29.403 -3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 103 18.069 -30.981 -1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 103 19.510 -30.231 -2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 103 17.448 -27.716 -2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 103 17.607 -26.986 -0.886 1.00 0.00 H new ATOM 1505 N ALA A 104 15.797 -30.729 -5.616 1.00 0.00 N ATOM 1506 CA ALA A 104 14.460 -30.831 -6.140 1.00 0.00 C ATOM 1507 C ALA A 104 14.272 -32.154 -6.868 1.00 0.00 C ATOM 1508 O ALA A 104 13.339 -32.896 -6.574 1.00 0.00 O ATOM 1509 CB ALA A 104 14.186 -29.660 -7.079 1.00 0.00 C ATOM 0 H ALA A 104 16.428 -30.155 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 104 13.751 -30.796 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.173 -29.740 -7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.289 -28.723 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.899 -29.680 -7.903 1.00 0.00 H new ATOM 1515 N ALA A 105 15.164 -32.460 -7.805 1.00 0.00 N ATOM 1516 CA ALA A 105 15.060 -33.720 -8.529 1.00 0.00 C ATOM 1517 C ALA A 105 15.089 -34.876 -7.532 1.00 0.00 C ATOM 1518 O ALA A 105 14.282 -35.808 -7.607 1.00 0.00 O ATOM 1519 CB ALA A 105 16.220 -33.858 -9.518 1.00 0.00 C ATOM 0 H ALA A 105 15.949 -31.868 -8.076 1.00 0.00 H new ATOM 0 HA ALA A 105 14.123 -33.739 -9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 105 16.131 -34.803 -10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 105 16.191 -33.034 -10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 105 17.165 -33.835 -8.976 1.00 0.00 H new ATOM 1525 N ILE A 106 16.022 -34.791 -6.591 1.00 0.00 N ATOM 1526 CA ILE A 106 16.169 -35.811 -5.561 1.00 0.00 C ATOM 1527 C ILE A 106 14.927 -35.892 -4.696 1.00 0.00 C ATOM 1528 O ILE A 106 14.451 -36.974 -4.392 1.00 0.00 O ATOM 1529 CB ILE A 106 17.342 -35.483 -4.662 1.00 0.00 C ATOM 1530 CG1 ILE A 106 18.651 -35.561 -5.455 1.00 0.00 C ATOM 1531 CG2 ILE A 106 17.386 -36.479 -3.505 1.00 0.00 C ATOM 1532 CD1 ILE A 106 19.169 -37.001 -5.447 1.00 0.00 C ATOM 0 H ILE A 106 16.690 -34.023 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 106 16.330 -36.764 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 106 17.223 -34.472 -4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 106 18.488 -35.228 -6.480 1.00 0.00 H new ATOM 0 HG13 ILE A 106 19.394 -34.894 -5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 106 18.230 -36.245 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 106 16.460 -36.414 -2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 106 17.500 -37.489 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 106 20.100 -37.056 -6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 106 19.348 -37.318 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 106 18.428 -37.657 -5.905 1.00 0.00 H new ATOM 1544 N ALA A 107 14.427 -34.737 -4.279 1.00 0.00 N ATOM 1545 CA ALA A 107 13.251 -34.693 -3.422 1.00 0.00 C ATOM 1546 C ALA A 107 12.018 -35.216 -4.149 1.00 0.00 C ATOM 1547 O ALA A 107 11.190 -35.905 -3.560 1.00 0.00 O ATOM 1548 CB ALA A 107 13.008 -33.261 -2.967 1.00 0.00 C ATOM 0 H ALA A 107 14.814 -33.824 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 107 13.432 -35.332 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 107 12.128 -33.228 -2.325 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.875 -32.903 -2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.847 -32.625 -3.837 1.00 0.00 H new ATOM 1554 N LEU A 108 11.897 -34.881 -5.426 1.00 0.00 N ATOM 1555 CA LEU A 108 10.754 -35.325 -6.212 1.00 0.00 C ATOM 1556 C LEU A 108 10.771 -36.842 -6.362 1.00 0.00 C ATOM 1557 O LEU A 108 9.731 -37.496 -6.281 1.00 0.00 O ATOM 1558 CB LEU A 108 10.784 -34.666 -7.594 1.00 0.00 C ATOM 1559 CG LEU A 108 9.400 -34.100 -7.931 1.00 0.00 C ATOM 1560 CD1 LEU A 108 9.519 -33.124 -9.103 1.00 0.00 C ATOM 1561 CD2 LEU A 108 8.462 -35.245 -8.318 1.00 0.00 C ATOM 0 H LEU A 108 12.569 -34.309 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 108 9.840 -35.034 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.527 -33.868 -7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.082 -35.395 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 108 9.000 -33.578 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.535 -32.722 -9.343 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.188 -32.308 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.919 -33.646 -9.972 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.477 -34.844 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 108 8.863 -35.766 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.376 -35.943 -7.485 1.00 0.00 H new ATOM 1573 N SER A 109 11.959 -37.394 -6.579 1.00 0.00 N ATOM 1574 CA SER A 109 12.103 -38.837 -6.740 1.00 0.00 C ATOM 1575 C SER A 109 12.264 -39.520 -5.391 1.00 0.00 C ATOM 1576 O SER A 109 12.080 -40.730 -5.266 1.00 0.00 O ATOM 1577 CB SER A 109 13.327 -39.132 -7.595 1.00 0.00 C ATOM 1578 OG SER A 109 13.052 -40.233 -8.451 1.00 0.00 O ATOM 0 H SER A 109 12.831 -36.869 -6.647 1.00 0.00 H new ATOM 0 HA SER A 109 11.204 -39.220 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.591 -38.255 -8.186 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.183 -39.357 -6.959 1.00 0.00 H new ATOM 0 HG SER A 109 13.839 -40.423 -9.003 1.00 0.00 H new ATOM 1584 N LEU A 110 12.616 -38.735 -4.390 1.00 0.00 N ATOM 1585 CA LEU A 110 12.813 -39.262 -3.047 1.00 0.00 C ATOM 1586 C LEU A 110 11.522 -39.121 -2.247 1.00 0.00 C ATOM 1587 O LEU A 110 11.373 -39.700 -1.173 1.00 0.00 O ATOM 1588 CB LEU A 110 13.977 -38.509 -2.366 1.00 0.00 C ATOM 1589 CG LEU A 110 14.275 -39.085 -0.972 1.00 0.00 C ATOM 1590 CD1 LEU A 110 13.271 -38.542 0.050 1.00 0.00 C ATOM 1591 CD2 LEU A 110 14.205 -40.615 -1.003 1.00 0.00 C ATOM 0 H LEU A 110 12.772 -37.731 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 110 13.069 -40.320 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.870 -38.576 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 110 13.728 -37.451 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 110 15.280 -38.782 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 110 13.492 -38.957 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 110 13.344 -37.455 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 110 12.261 -38.827 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 110 14.418 -41.009 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 110 13.207 -40.927 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 110 14.940 -40.999 -1.711 1.00 0.00 H new ATOM 1603 N LEU A 111 10.582 -38.354 -2.790 1.00 0.00 N ATOM 1604 CA LEU A 111 9.297 -38.150 -2.127 1.00 0.00 C ATOM 1605 C LEU A 111 8.507 -39.450 -2.087 1.00 0.00 C ATOM 1606 O LEU A 111 7.604 -39.620 -1.268 1.00 0.00 O ATOM 1607 CB LEU A 111 8.483 -37.080 -2.861 1.00 0.00 C ATOM 1608 CG LEU A 111 7.966 -36.049 -1.855 1.00 0.00 C ATOM 1609 CD1 LEU A 111 9.102 -35.107 -1.461 1.00 0.00 C ATOM 1610 CD2 LEU A 111 6.832 -35.242 -2.491 1.00 0.00 C ATOM 0 H LEU A 111 10.683 -37.867 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 111 9.489 -37.818 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.101 -36.591 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.647 -37.541 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 111 7.595 -36.561 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.734 -34.373 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.911 -35.681 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.473 -34.594 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.463 -34.507 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.203 -34.730 -3.378 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.021 -35.914 -2.773 1.00 0.00 H new ATOM 1622 N GLU A 112 8.862 -40.360 -2.979 1.00 0.00 N ATOM 1623 CA GLU A 112 8.191 -41.653 -3.051 1.00 0.00 C ATOM 1624 C GLU A 112 8.507 -42.486 -1.822 1.00 0.00 C ATOM 1625 O GLU A 112 7.711 -42.572 -0.887 1.00 0.00 O ATOM 1626 CB GLU A 112 8.639 -42.403 -4.308 1.00 0.00 C ATOM 1627 CG GLU A 112 8.425 -41.515 -5.535 1.00 0.00 C ATOM 1628 CD GLU A 112 6.951 -41.511 -5.923 1.00 0.00 C ATOM 1629 OE1 GLU A 112 6.247 -42.413 -5.500 1.00 0.00 O ATOM 1630 OE2 GLU A 112 6.548 -40.606 -6.635 1.00 0.00 O ATOM 0 H GLU A 112 9.608 -40.231 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 112 7.115 -41.483 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.690 -42.679 -4.224 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.074 -43.329 -4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 112 8.756 -40.499 -5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.028 -41.878 -6.367 1.00 0.00 H new ATOM 1637 N SER A 113 9.677 -43.096 -1.838 1.00 0.00 N ATOM 1638 CA SER A 113 10.115 -43.931 -0.726 1.00 0.00 C ATOM 1639 C SER A 113 11.174 -43.203 0.107 1.00 0.00 C ATOM 1640 O SER A 113 12.336 -43.127 -0.289 1.00 0.00 O ATOM 1641 CB SER A 113 10.700 -45.238 -1.261 1.00 0.00 C ATOM 1642 OG SER A 113 11.892 -45.546 -0.550 1.00 0.00 O ATOM 0 H SER A 113 10.344 -43.032 -2.607 1.00 0.00 H new ATOM 0 HA SER A 113 9.254 -44.146 -0.093 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.977 -46.046 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.912 -45.146 -2.326 1.00 0.00 H new ATOM 0 HG SER A 113 12.558 -44.845 -0.709 1.00 0.00 H new ATOM 1648 N PRO A 114 10.800 -42.669 1.246 1.00 0.00 N ATOM 1649 CA PRO A 114 11.748 -41.939 2.135 1.00 0.00 C ATOM 1650 C PRO A 114 12.648 -42.894 2.915 1.00 0.00 C ATOM 1651 O PRO A 114 12.445 -44.107 2.896 1.00 0.00 O ATOM 1652 CB PRO A 114 10.833 -41.154 3.075 1.00 0.00 C ATOM 1653 CG PRO A 114 9.552 -41.919 3.123 1.00 0.00 C ATOM 1654 CD PRO A 114 9.440 -42.702 1.811 1.00 0.00 C ATOM 0 HA PRO A 114 12.431 -41.301 1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 114 11.274 -41.066 4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 114 10.671 -40.141 2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 114 9.541 -42.596 3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 114 8.705 -41.243 3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.108 -43.725 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 114 8.718 -42.244 1.135 1.00 0.00 H new ATOM 1662 N LYS A 115 13.645 -42.339 3.598 1.00 0.00 N ATOM 1663 CA LYS A 115 14.568 -43.159 4.375 1.00 0.00 C ATOM 1664 C LYS A 115 15.281 -42.325 5.433 1.00 0.00 C ATOM 1665 O LYS A 115 14.870 -41.204 5.739 1.00 0.00 O ATOM 1666 CB LYS A 115 15.605 -43.794 3.448 1.00 0.00 C ATOM 1667 CG LYS A 115 15.824 -45.253 3.850 1.00 0.00 C ATOM 1668 CD LYS A 115 14.750 -46.128 3.202 1.00 0.00 C ATOM 1669 CE LYS A 115 14.945 -47.582 3.638 1.00 0.00 C ATOM 1670 NZ LYS A 115 13.640 -48.143 4.089 1.00 0.00 N ATOM 0 H LYS A 115 13.833 -41.337 3.630 1.00 0.00 H new ATOM 0 HA LYS A 115 13.992 -43.938 4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.266 -43.738 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.545 -43.245 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.815 -45.583 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.783 -45.352 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.759 -45.780 3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 115 14.810 -46.052 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.340 -48.171 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.675 -47.636 4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.771 -49.131 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.281 -47.586 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.956 -48.104 3.306 1.00 0.00 H new ATOM 1684 N ILE A 116 16.352 -42.882 5.986 1.00 0.00 N ATOM 1685 CA ILE A 116 17.126 -42.191 7.009 1.00 0.00 C ATOM 1686 C ILE A 116 18.619 -42.312 6.715 1.00 0.00 C ATOM 1687 O ILE A 116 19.016 -42.895 5.706 1.00 0.00 O ATOM 1688 CB ILE A 116 16.826 -42.793 8.384 1.00 0.00 C ATOM 1689 CG1 ILE A 116 15.468 -43.497 8.346 1.00 0.00 C ATOM 1690 CG2 ILE A 116 16.793 -41.683 9.436 1.00 0.00 C ATOM 1691 CD1 ILE A 116 15.178 -44.120 9.714 1.00 0.00 C ATOM 0 H ILE A 116 16.703 -43.808 5.744 1.00 0.00 H new ATOM 0 HA ILE A 116 16.847 -41.137 7.005 1.00 0.00 H new ATOM 0 HB ILE A 116 17.604 -43.512 8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 116 14.685 -42.785 8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 116 15.468 -44.268 7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 116 16.579 -42.115 10.414 1.00 0.00 H new ATOM 0 HG22 ILE A 116 17.760 -41.180 9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 116 16.017 -40.962 9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 116 14.211 -44.622 9.688 1.00 0.00 H new ATOM 0 HD12 ILE A 116 15.956 -44.844 9.956 1.00 0.00 H new ATOM 0 HD13 ILE A 116 15.161 -43.338 10.473 1.00 0.00 H new ATOM 1703 N GLN A 117 19.439 -41.760 7.602 1.00 0.00 N ATOM 1704 CA GLN A 117 20.886 -41.816 7.427 1.00 0.00 C ATOM 1705 C GLN A 117 21.420 -43.198 7.790 1.00 0.00 C ATOM 1706 O GLN A 117 22.532 -43.330 8.300 1.00 0.00 O ATOM 1707 CB GLN A 117 21.559 -40.759 8.305 1.00 0.00 C ATOM 1708 CG GLN A 117 21.344 -39.373 7.695 1.00 0.00 C ATOM 1709 CD GLN A 117 19.858 -39.136 7.446 1.00 0.00 C ATOM 1710 OE1 GLN A 117 19.411 -39.142 6.299 1.00 0.00 O ATOM 1711 NE2 GLN A 117 19.061 -38.926 8.457 1.00 0.00 N ATOM 0 H GLN A 117 19.130 -41.272 8.443 1.00 0.00 H new ATOM 0 HA GLN A 117 21.113 -41.617 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 117 21.145 -40.792 9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 117 22.625 -40.968 8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 117 21.735 -38.607 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 117 21.896 -39.289 6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 117 19.433 -38.921 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 117 18.066 -38.767 8.298 1.00 0.00 H new ATOM 1720 N ALA A 118 20.620 -44.226 7.525 1.00 0.00 N ATOM 1721 CA ALA A 118 21.023 -45.595 7.829 1.00 0.00 C ATOM 1722 C ALA A 118 21.810 -45.647 9.135 1.00 0.00 C ATOM 1723 O ALA A 118 21.455 -44.987 10.112 1.00 0.00 O ATOM 1724 CB ALA A 118 21.884 -46.152 6.694 1.00 0.00 C ATOM 0 H ALA A 118 19.695 -44.139 7.103 1.00 0.00 H new ATOM 0 HA ALA A 118 20.123 -46.201 7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 118 22.180 -47.174 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 118 21.312 -46.145 5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.774 -45.534 6.576 1.00 0.00 H new ATOM 1730 N ASP A 119 22.880 -46.436 9.144 1.00 0.00 N ATOM 1731 CA ASP A 119 23.711 -46.568 10.335 1.00 0.00 C ATOM 1732 C ASP A 119 24.944 -47.415 10.037 1.00 0.00 C ATOM 1733 O ASP A 119 26.053 -46.894 9.918 1.00 0.00 O ATOM 1734 CB ASP A 119 22.908 -47.211 11.467 1.00 0.00 C ATOM 1735 CG ASP A 119 23.802 -47.429 12.683 1.00 0.00 C ATOM 1736 OD1 ASP A 119 24.999 -47.575 12.496 1.00 0.00 O ATOM 1737 OD2 ASP A 119 23.277 -47.446 13.785 1.00 0.00 O ATOM 0 H ASP A 119 23.190 -46.990 8.346 1.00 0.00 H new ATOM 0 HA ASP A 119 24.033 -45.573 10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 119 22.066 -46.573 11.734 1.00 0.00 H new ATOM 0 HB3 ASP A 119 22.494 -48.163 11.135 1.00 0.00 H new ATOM 1742 N GLY A 120 24.743 -48.724 9.916 1.00 0.00 N ATOM 1743 CA GLY A 120 25.847 -49.634 9.632 1.00 0.00 C ATOM 1744 C GLY A 120 25.545 -51.034 10.155 1.00 0.00 C ATOM 1745 O GLY A 120 26.114 -51.978 9.630 1.00 0.00 O ATOM 0 H GLY A 120 23.833 -49.175 10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 120 26.024 -49.673 8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 120 26.761 -49.259 10.092 1.00 0.00 H new TER 1749 GLY A 120