USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 616 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 14 HIS : no HE2:sc= -4.16! C(o=-4.3!,f=-6.8!) USER MOD Set 1.2: A 25 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 3 GLN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.0901 X(o=-0.09,f=-0.53) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0491 USER MOD Single : A 11 MET CE :methyl -157:sc= -1.19 (180deg=-2.11!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.087 USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= 0.28 (180deg=0.223) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 173:sc= 0.209 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 158:sc= 0 (180deg=-0.465) USER MOD Single : A 62 GLN : amide:sc= 0.172 X(o=0.17,f=-0.013) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00686 USER MOD Single : A 70 LYS NZ :NH3+ -153:sc= -0.0863 (180deg=-0.88) USER MOD Single : A 71 GLN : amide:sc= -2.31 K(o=-2.3,f=-5.6!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 61.337 -8.749 7.214 1.00 0.00 N ATOM 18 CA GLU A 2 61.309 -7.715 8.287 1.00 0.00 C ATOM 19 C GLU A 2 62.174 -8.180 9.459 1.00 0.00 C ATOM 20 O GLU A 2 61.689 -8.763 10.408 1.00 0.00 O ATOM 21 CB GLU A 2 59.869 -7.513 8.765 1.00 0.00 C ATOM 22 CG GLU A 2 59.420 -6.085 8.446 1.00 0.00 C ATOM 23 CD GLU A 2 58.075 -6.127 7.720 1.00 0.00 C ATOM 24 OE1 GLU A 2 57.059 -6.106 8.395 1.00 0.00 O ATOM 25 OE2 GLU A 2 58.084 -6.179 6.501 1.00 0.00 O ATOM 0 HA GLU A 2 61.696 -6.774 7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 2 59.209 -8.230 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 2 59.802 -7.696 9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 2 59.332 -5.506 9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 2 60.165 -5.587 7.826 1.00 0.00 H new ATOM 32 N GLN A 3 63.453 -7.929 9.401 1.00 0.00 N ATOM 33 CA GLN A 3 64.347 -8.358 10.509 1.00 0.00 C ATOM 34 C GLN A 3 65.736 -7.748 10.313 1.00 0.00 C ATOM 35 O GLN A 3 66.211 -6.982 11.127 1.00 0.00 O ATOM 36 CB GLN A 3 64.455 -9.884 10.514 1.00 0.00 C ATOM 37 CG GLN A 3 64.338 -10.400 11.950 1.00 0.00 C ATOM 38 CD GLN A 3 64.410 -11.929 11.949 1.00 0.00 C ATOM 39 OE1 GLN A 3 63.623 -12.585 12.603 1.00 0.00 O ATOM 40 NE2 GLN A 3 65.326 -12.526 11.237 1.00 0.00 N ATOM 0 H GLN A 3 63.917 -7.445 8.632 1.00 0.00 H new ATOM 0 HA GLN A 3 63.935 -8.019 11.459 1.00 0.00 H new ATOM 0 HB2 GLN A 3 63.669 -10.317 9.896 1.00 0.00 H new ATOM 0 HB3 GLN A 3 65.407 -10.193 10.082 1.00 0.00 H new ATOM 0 HG2 GLN A 3 65.140 -9.988 12.563 1.00 0.00 H new ATOM 0 HG3 GLN A 3 63.398 -10.070 12.391 1.00 0.00 H new ATOM 0 HE21 GLN A 3 65.986 -11.974 10.689 1.00 0.00 H new ATOM 0 HE22 GLN A 3 65.382 -13.544 11.229 1.00 0.00 H new ATOM 49 N LEU A 4 66.389 -8.090 9.241 1.00 0.00 N ATOM 50 CA LEU A 4 67.751 -7.540 8.985 1.00 0.00 C ATOM 51 C LEU A 4 67.672 -6.019 8.820 1.00 0.00 C ATOM 52 O LEU A 4 68.611 -5.306 9.110 1.00 0.00 O ATOM 53 CB LEU A 4 68.320 -8.163 7.709 1.00 0.00 C ATOM 54 CG LEU A 4 68.765 -9.599 7.994 1.00 0.00 C ATOM 55 CD1 LEU A 4 68.510 -10.464 6.759 1.00 0.00 C ATOM 56 CD2 LEU A 4 70.260 -9.612 8.327 1.00 0.00 C ATOM 0 H LEU A 4 66.039 -8.729 8.527 1.00 0.00 H new ATOM 0 HA LEU A 4 68.400 -7.777 9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.567 -8.154 6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 4 69.164 -7.574 7.350 1.00 0.00 H new ATOM 0 HG LEU A 4 68.201 -9.995 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.826 -11.488 6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 4 67.446 -10.453 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 4 69.075 -10.069 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 4 70.579 -10.634 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.824 -9.217 7.482 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.442 -8.994 9.206 1.00 0.00 H new ATOM 68 N ALA A 5 66.560 -5.519 8.355 1.00 0.00 N ATOM 69 CA ALA A 5 66.427 -4.045 8.171 1.00 0.00 C ATOM 70 C ALA A 5 65.858 -3.416 9.445 1.00 0.00 C ATOM 71 O ALA A 5 65.857 -2.211 9.605 1.00 0.00 O ATOM 72 CB ALA A 5 65.485 -3.760 6.998 1.00 0.00 C ATOM 0 H ALA A 5 65.739 -6.066 8.095 1.00 0.00 H new ATOM 0 HA ALA A 5 67.408 -3.617 7.964 1.00 0.00 H new ATOM 0 HB1 ALA A 5 65.387 -2.683 6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 5 65.891 -4.204 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 5 64.505 -4.190 7.206 1.00 0.00 H new ATOM 78 N LYS A 6 65.374 -4.219 10.352 1.00 0.00 N ATOM 79 CA LYS A 6 64.807 -3.662 11.612 1.00 0.00 C ATOM 80 C LYS A 6 65.945 -3.233 12.541 1.00 0.00 C ATOM 81 O LYS A 6 66.097 -2.071 12.859 1.00 0.00 O ATOM 82 CB LYS A 6 63.958 -4.730 12.305 1.00 0.00 C ATOM 83 CG LYS A 6 62.495 -4.285 12.328 1.00 0.00 C ATOM 84 CD LYS A 6 62.368 -2.975 13.110 1.00 0.00 C ATOM 85 CE LYS A 6 61.414 -3.174 14.290 1.00 0.00 C ATOM 86 NZ LYS A 6 61.462 -1.974 15.173 1.00 0.00 N ATOM 0 H LYS A 6 65.347 -5.236 10.275 1.00 0.00 H new ATOM 0 HA LYS A 6 64.185 -2.798 11.378 1.00 0.00 H new ATOM 0 HB2 LYS A 6 64.052 -5.681 11.780 1.00 0.00 H new ATOM 0 HB3 LYS A 6 64.316 -4.891 13.322 1.00 0.00 H new ATOM 0 HG2 LYS A 6 62.130 -4.149 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 6 61.877 -5.056 12.788 1.00 0.00 H new ATOM 0 HD2 LYS A 6 63.347 -2.658 13.470 1.00 0.00 H new ATOM 0 HD3 LYS A 6 61.997 -2.185 12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 6 60.398 -3.332 13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 6 61.694 -4.065 14.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 60.814 -2.107 15.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 62.431 -1.843 15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 61.175 -1.133 14.632 1.00 0.00 H new ATOM 100 N GLN A 7 66.746 -4.164 12.980 1.00 0.00 N ATOM 101 CA GLN A 7 67.872 -3.812 13.890 1.00 0.00 C ATOM 102 C GLN A 7 68.641 -2.622 13.315 1.00 0.00 C ATOM 103 O GLN A 7 69.050 -1.730 14.030 1.00 0.00 O ATOM 104 CB GLN A 7 68.811 -5.011 14.026 1.00 0.00 C ATOM 105 CG GLN A 7 68.734 -5.563 15.452 1.00 0.00 C ATOM 106 CD GLN A 7 69.711 -4.801 16.349 1.00 0.00 C ATOM 107 OE1 GLN A 7 70.856 -4.604 15.991 1.00 0.00 O ATOM 108 NE2 GLN A 7 69.306 -4.361 17.510 1.00 0.00 N ATOM 0 H GLN A 7 66.669 -5.154 12.748 1.00 0.00 H new ATOM 0 HA GLN A 7 67.477 -3.547 14.871 1.00 0.00 H new ATOM 0 HB2 GLN A 7 68.535 -5.785 13.310 1.00 0.00 H new ATOM 0 HB3 GLN A 7 69.834 -4.713 13.795 1.00 0.00 H new ATOM 0 HG2 GLN A 7 67.719 -5.465 15.837 1.00 0.00 H new ATOM 0 HG3 GLN A 7 68.975 -6.626 15.455 1.00 0.00 H new ATOM 0 HE21 GLN A 7 68.345 -4.526 17.811 1.00 0.00 H new ATOM 0 HE22 GLN A 7 69.950 -3.852 18.116 1.00 0.00 H new ATOM 117 N LYS A 8 68.841 -2.603 12.028 1.00 0.00 N ATOM 118 CA LYS A 8 69.585 -1.472 11.406 1.00 0.00 C ATOM 119 C LYS A 8 68.818 -0.168 11.637 1.00 0.00 C ATOM 120 O LYS A 8 69.359 0.799 12.135 1.00 0.00 O ATOM 121 CB LYS A 8 69.734 -1.722 9.904 1.00 0.00 C ATOM 122 CG LYS A 8 70.639 -2.934 9.677 1.00 0.00 C ATOM 123 CD LYS A 8 71.904 -2.796 10.530 1.00 0.00 C ATOM 124 CE LYS A 8 73.064 -3.526 9.849 1.00 0.00 C ATOM 125 NZ LYS A 8 74.184 -3.694 10.820 1.00 0.00 N ATOM 0 H LYS A 8 68.522 -3.322 11.379 1.00 0.00 H new ATOM 0 HA LYS A 8 70.574 -1.395 11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.756 -1.895 9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 8 70.157 -0.843 9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 8 70.110 -3.850 9.939 1.00 0.00 H new ATOM 0 HG3 LYS A 8 70.905 -3.010 8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 8 72.152 -1.743 10.663 1.00 0.00 H new ATOM 0 HD3 LYS A 8 71.732 -3.211 11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 8 72.733 -4.499 9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 8 73.403 -2.962 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 74.973 -4.190 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 74.505 -2.760 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 73.856 -4.250 11.636 1.00 0.00 H new ATOM 139 N GLY A 9 67.562 -0.132 11.283 1.00 0.00 N ATOM 140 CA GLY A 9 66.768 1.113 11.492 1.00 0.00 C ATOM 141 C GLY A 9 66.121 1.546 10.174 1.00 0.00 C ATOM 142 O GLY A 9 65.576 2.627 10.067 1.00 0.00 O ATOM 0 H GLY A 9 67.053 -0.908 10.860 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.999 0.942 12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 9 67.413 1.907 11.869 1.00 0.00 H new ATOM 146 N CYS A 10 66.171 0.714 9.168 1.00 0.00 N ATOM 147 CA CYS A 10 65.553 1.089 7.865 1.00 0.00 C ATOM 148 C CYS A 10 64.041 1.244 8.045 1.00 0.00 C ATOM 149 O CYS A 10 63.405 2.032 7.374 1.00 0.00 O ATOM 150 CB CYS A 10 65.823 -0.004 6.827 1.00 0.00 C ATOM 151 SG CYS A 10 67.582 -0.438 6.829 1.00 0.00 S ATOM 0 H CYS A 10 66.612 -0.206 9.193 1.00 0.00 H new ATOM 0 HA CYS A 10 65.985 2.030 7.523 1.00 0.00 H new ATOM 0 HB2 CYS A 10 65.222 -0.886 7.050 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.526 0.342 5.837 1.00 0.00 H new ATOM 0 HG CYS A 10 67.801 -1.368 5.947 1.00 0.00 H new ATOM 156 N MET A 11 63.463 0.493 8.942 1.00 0.00 N ATOM 157 CA MET A 11 61.992 0.593 9.161 1.00 0.00 C ATOM 158 C MET A 11 61.672 1.860 9.957 1.00 0.00 C ATOM 159 O MET A 11 60.535 2.281 10.038 1.00 0.00 O ATOM 160 CB MET A 11 61.510 -0.634 9.937 1.00 0.00 C ATOM 161 CG MET A 11 61.136 -1.743 8.953 1.00 0.00 C ATOM 162 SD MET A 11 59.375 -2.127 9.114 1.00 0.00 S ATOM 163 CE MET A 11 58.995 -2.210 7.347 1.00 0.00 C ATOM 0 H MET A 11 63.945 -0.185 9.532 1.00 0.00 H new ATOM 0 HA MET A 11 61.485 0.638 8.197 1.00 0.00 H new ATOM 0 HB2 MET A 11 62.292 -0.981 10.613 1.00 0.00 H new ATOM 0 HB3 MET A 11 60.649 -0.373 10.553 1.00 0.00 H new ATOM 0 HG2 MET A 11 61.358 -1.429 7.933 1.00 0.00 H new ATOM 0 HG3 MET A 11 61.732 -2.634 9.149 1.00 0.00 H new ATOM 0 HE1 MET A 11 57.931 -2.031 7.195 1.00 0.00 H new ATOM 0 HE2 MET A 11 59.570 -1.452 6.815 1.00 0.00 H new ATOM 0 HE3 MET A 11 59.255 -3.197 6.965 1.00 0.00 H new ATOM 173 N ALA A 12 62.664 2.471 10.547 1.00 0.00 N ATOM 174 CA ALA A 12 62.409 3.711 11.336 1.00 0.00 C ATOM 175 C ALA A 12 61.617 4.702 10.482 1.00 0.00 C ATOM 176 O ALA A 12 60.784 5.437 10.975 1.00 0.00 O ATOM 177 CB ALA A 12 63.742 4.342 11.744 1.00 0.00 C ATOM 0 H ALA A 12 63.637 2.166 10.517 1.00 0.00 H new ATOM 0 HA ALA A 12 61.838 3.461 12.230 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.554 5.248 12.320 1.00 0.00 H new ATOM 0 HB2 ALA A 12 64.308 3.636 12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 12 64.315 4.592 10.851 1.00 0.00 H new ATOM 183 N CYS A 13 61.866 4.723 9.202 1.00 0.00 N ATOM 184 CA CYS A 13 61.126 5.662 8.313 1.00 0.00 C ATOM 185 C CYS A 13 60.386 4.863 7.237 1.00 0.00 C ATOM 186 O CYS A 13 59.278 5.187 6.860 1.00 0.00 O ATOM 187 CB CYS A 13 62.113 6.622 7.643 1.00 0.00 C ATOM 188 SG CYS A 13 63.289 7.245 8.872 1.00 0.00 S ATOM 0 H CYS A 13 62.551 4.130 8.733 1.00 0.00 H new ATOM 0 HA CYS A 13 60.410 6.233 8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.646 6.110 6.842 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.574 7.453 7.187 1.00 0.00 H new ATOM 0 HG CYS A 13 64.126 8.058 8.299 1.00 0.00 H new ATOM 193 N HIS A 14 60.993 3.818 6.740 1.00 0.00 N ATOM 194 CA HIS A 14 60.327 2.998 5.689 1.00 0.00 C ATOM 195 C HIS A 14 59.039 2.392 6.251 1.00 0.00 C ATOM 196 O HIS A 14 58.643 2.675 7.364 1.00 0.00 O ATOM 197 CB HIS A 14 61.266 1.876 5.246 1.00 0.00 C ATOM 198 CG HIS A 14 62.233 2.404 4.222 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.839 2.740 2.937 1.00 0.00 N ATOM 200 CD2 HIS A 14 63.582 2.660 4.280 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.930 3.175 2.279 1.00 0.00 C ATOM 202 NE2 HIS A 14 64.019 3.148 3.051 1.00 0.00 N ATOM 0 H HIS A 14 61.921 3.498 7.017 1.00 0.00 H new ATOM 0 HA HIS A 14 60.087 3.631 4.834 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.809 1.482 6.105 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.691 1.051 4.827 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.894 2.670 2.558 1.00 0.00 H new ATOM 0 HD2 HIS A 14 64.208 2.506 5.147 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.925 3.506 1.251 1.00 0.00 H new ATOM 210 N ASP A 15 58.383 1.559 5.490 1.00 0.00 N ATOM 211 CA ASP A 15 57.122 0.937 5.983 1.00 0.00 C ATOM 212 C ASP A 15 56.431 0.193 4.837 1.00 0.00 C ATOM 213 O ASP A 15 56.187 0.747 3.784 1.00 0.00 O ATOM 214 CB ASP A 15 56.190 2.027 6.515 1.00 0.00 C ATOM 215 CG ASP A 15 55.771 1.687 7.946 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.830 0.520 8.297 1.00 0.00 O ATOM 217 OD2 ASP A 15 55.401 2.599 8.667 1.00 0.00 O ATOM 0 H ASP A 15 58.665 1.283 4.550 1.00 0.00 H new ATOM 0 HA ASP A 15 57.356 0.233 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 15 56.693 2.994 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 15 55.310 2.111 5.877 1.00 0.00 H new ATOM 222 N LEU A 16 56.109 -1.056 5.040 1.00 0.00 N ATOM 223 CA LEU A 16 55.426 -1.840 3.970 1.00 0.00 C ATOM 224 C LEU A 16 54.351 -0.977 3.315 1.00 0.00 C ATOM 225 O LEU A 16 54.485 -0.543 2.188 1.00 0.00 O ATOM 226 CB LEU A 16 54.761 -3.069 4.594 1.00 0.00 C ATOM 227 CG LEU A 16 55.717 -4.269 4.578 1.00 0.00 C ATOM 228 CD1 LEU A 16 55.625 -4.973 3.223 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.159 -3.804 4.815 1.00 0.00 C ATOM 0 H LEU A 16 56.290 -1.569 5.903 1.00 0.00 H new ATOM 0 HA LEU A 16 56.157 -2.149 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.465 -2.847 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 16 53.852 -3.315 4.045 1.00 0.00 H new ATOM 0 HG LEU A 16 55.433 -4.959 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.303 -5.826 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.604 -5.319 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.902 -4.277 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 16 57.826 -4.666 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.450 -3.107 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.227 -3.308 5.783 1.00 0.00 H new ATOM 241 N LYS A 17 53.282 -0.727 4.017 1.00 0.00 N ATOM 242 CA LYS A 17 52.193 0.107 3.441 1.00 0.00 C ATOM 243 C LYS A 17 51.887 1.271 4.385 1.00 0.00 C ATOM 244 O LYS A 17 50.746 1.634 4.591 1.00 0.00 O ATOM 245 CB LYS A 17 50.938 -0.746 3.251 1.00 0.00 C ATOM 246 CG LYS A 17 50.218 -0.315 1.972 1.00 0.00 C ATOM 247 CD LYS A 17 48.707 -0.301 2.215 1.00 0.00 C ATOM 248 CE LYS A 17 48.052 0.741 1.309 1.00 0.00 C ATOM 249 NZ LYS A 17 46.579 0.743 1.536 1.00 0.00 N ATOM 0 H LYS A 17 53.116 -1.064 4.965 1.00 0.00 H new ATOM 0 HA LYS A 17 52.510 0.499 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 17 51.207 -1.801 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.276 -0.634 4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 17 50.557 0.675 1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 17 50.460 -0.999 1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 17 48.287 -1.287 2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 17 48.499 -0.072 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 17 48.464 1.729 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 17 48.269 0.518 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 46.134 1.452 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 46.193 -0.198 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 46.381 0.976 2.530 1.00 0.00 H new ATOM 263 N ALA A 18 52.900 1.861 4.955 1.00 0.00 N ATOM 264 CA ALA A 18 52.675 3.006 5.883 1.00 0.00 C ATOM 265 C ALA A 18 53.854 3.972 5.782 1.00 0.00 C ATOM 266 O ALA A 18 54.589 4.178 6.726 1.00 0.00 O ATOM 267 CB ALA A 18 52.563 2.491 7.317 1.00 0.00 C ATOM 0 H ALA A 18 53.876 1.600 4.818 1.00 0.00 H new ATOM 0 HA ALA A 18 51.753 3.519 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.399 3.330 7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 18 51.726 1.797 7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 18 53.485 1.978 7.592 1.00 0.00 H new ATOM 273 N LYS A 19 54.038 4.563 4.637 1.00 0.00 N ATOM 274 CA LYS A 19 55.167 5.513 4.457 1.00 0.00 C ATOM 275 C LYS A 19 54.980 6.721 5.377 1.00 0.00 C ATOM 276 O LYS A 19 54.168 7.589 5.121 1.00 0.00 O ATOM 277 CB LYS A 19 55.210 5.981 2.999 1.00 0.00 C ATOM 278 CG LYS A 19 53.788 6.234 2.495 1.00 0.00 C ATOM 279 CD LYS A 19 53.837 7.074 1.216 1.00 0.00 C ATOM 280 CE LYS A 19 53.005 6.395 0.126 1.00 0.00 C ATOM 281 NZ LYS A 19 51.586 6.836 0.233 1.00 0.00 N ATOM 0 H LYS A 19 53.451 4.428 3.814 1.00 0.00 H new ATOM 0 HA LYS A 19 56.103 5.013 4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.802 6.892 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 19 55.697 5.228 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 19 53.287 5.286 2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 19 53.207 6.751 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 19 53.452 8.075 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 19 54.868 7.188 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 19 53.401 6.646 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 19 53.068 5.312 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 51.022 6.374 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 51.211 6.575 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 51.533 7.868 0.115 1.00 0.00 H new ATOM 295 N LYS A 20 55.728 6.789 6.446 1.00 0.00 N ATOM 296 CA LYS A 20 55.595 7.946 7.375 1.00 0.00 C ATOM 297 C LYS A 20 56.585 9.037 6.966 1.00 0.00 C ATOM 298 O LYS A 20 56.216 10.048 6.404 1.00 0.00 O ATOM 299 CB LYS A 20 55.894 7.497 8.807 1.00 0.00 C ATOM 300 CG LYS A 20 55.632 8.656 9.772 1.00 0.00 C ATOM 301 CD LYS A 20 54.123 8.877 9.902 1.00 0.00 C ATOM 302 CE LYS A 20 53.855 10.100 10.782 1.00 0.00 C ATOM 303 NZ LYS A 20 52.702 10.866 10.230 1.00 0.00 N ATOM 0 H LYS A 20 56.424 6.094 6.715 1.00 0.00 H new ATOM 0 HA LYS A 20 54.578 8.335 7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 20 55.269 6.643 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 20 56.931 7.170 8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 20 56.064 8.436 10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 20 56.114 9.563 9.408 1.00 0.00 H new ATOM 0 HD2 LYS A 20 53.681 9.022 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 53.652 7.995 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 20 53.641 9.786 11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 20 54.741 10.734 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 52.519 11.697 10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 52.923 11.177 9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 51.858 10.259 10.214 1.00 0.00 H new ATOM 317 N VAL A 21 57.842 8.834 7.243 1.00 0.00 N ATOM 318 CA VAL A 21 58.863 9.853 6.867 1.00 0.00 C ATOM 319 C VAL A 21 59.463 9.487 5.508 1.00 0.00 C ATOM 320 O VAL A 21 59.769 10.342 4.703 1.00 0.00 O ATOM 321 CB VAL A 21 59.968 9.882 7.925 1.00 0.00 C ATOM 322 CG1 VAL A 21 60.708 11.219 7.854 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.347 9.718 9.314 1.00 0.00 C ATOM 0 H VAL A 21 58.208 8.006 7.714 1.00 0.00 H new ATOM 0 HA VAL A 21 58.396 10.836 6.807 1.00 0.00 H new ATOM 0 HB VAL A 21 60.669 9.068 7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.495 11.240 8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.150 11.338 6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.007 12.033 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.133 9.738 10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 21 58.646 10.532 9.498 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.819 8.766 9.366 1.00 0.00 H new ATOM 333 N GLY A 22 59.628 8.218 5.246 1.00 0.00 N ATOM 334 CA GLY A 22 60.203 7.794 3.940 1.00 0.00 C ATOM 335 C GLY A 22 59.121 7.093 3.112 1.00 0.00 C ATOM 336 O GLY A 22 57.991 6.984 3.541 1.00 0.00 O ATOM 0 H GLY A 22 59.389 7.457 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.586 8.660 3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.045 7.122 4.102 1.00 0.00 H new ATOM 340 N PRO A 23 59.505 6.640 1.945 1.00 0.00 N ATOM 341 CA PRO A 23 58.589 5.942 1.025 1.00 0.00 C ATOM 342 C PRO A 23 58.377 4.494 1.475 1.00 0.00 C ATOM 343 O PRO A 23 59.271 3.860 2.000 1.00 0.00 O ATOM 344 CB PRO A 23 59.324 5.993 -0.317 1.00 0.00 C ATOM 345 CG PRO A 23 60.823 6.192 0.013 1.00 0.00 C ATOM 346 CD PRO A 23 60.885 6.779 1.437 1.00 0.00 C ATOM 0 HA PRO A 23 57.598 6.394 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 23 59.169 5.072 -0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 23 58.950 6.810 -0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.361 5.245 -0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 23 61.292 6.865 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.596 6.237 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.202 7.822 1.425 1.00 0.00 H new ATOM 354 N ALA A 24 57.202 3.964 1.268 1.00 0.00 N ATOM 355 CA ALA A 24 56.940 2.558 1.680 1.00 0.00 C ATOM 356 C ALA A 24 57.644 1.614 0.702 1.00 0.00 C ATOM 357 O ALA A 24 57.675 1.850 -0.489 1.00 0.00 O ATOM 358 CB ALA A 24 55.433 2.287 1.661 1.00 0.00 C ATOM 0 H ALA A 24 56.414 4.444 0.832 1.00 0.00 H new ATOM 0 HA ALA A 24 57.319 2.394 2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.245 1.257 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 24 54.933 2.965 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.047 2.446 0.654 1.00 0.00 H new ATOM 364 N TYR A 25 58.214 0.550 1.195 1.00 0.00 N ATOM 365 CA TYR A 25 58.920 -0.402 0.300 1.00 0.00 C ATOM 366 C TYR A 25 58.015 -0.786 -0.874 1.00 0.00 C ATOM 367 O TYR A 25 58.440 -0.819 -2.012 1.00 0.00 O ATOM 368 CB TYR A 25 59.286 -1.653 1.098 1.00 0.00 C ATOM 369 CG TYR A 25 60.334 -1.302 2.126 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.407 -0.476 1.776 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.230 -1.802 3.429 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.379 -0.148 2.730 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.201 -1.474 4.384 1.00 0.00 C ATOM 374 CZ TYR A 25 62.275 -0.647 4.034 1.00 0.00 C ATOM 375 OH TYR A 25 63.232 -0.323 4.974 1.00 0.00 O ATOM 0 H TYR A 25 58.220 0.300 2.184 1.00 0.00 H new ATOM 0 HA TYR A 25 59.823 0.066 -0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.400 -2.057 1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.661 -2.428 0.429 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.486 -0.091 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.402 -2.440 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.208 0.489 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 25 61.121 -1.859 5.390 1.00 0.00 H new ATOM 0 HH TYR A 25 63.010 -0.750 5.828 1.00 0.00 H new ATOM 385 N ALA A 26 56.774 -1.084 -0.610 1.00 0.00 N ATOM 386 CA ALA A 26 55.847 -1.475 -1.711 1.00 0.00 C ATOM 387 C ALA A 26 55.956 -0.480 -2.871 1.00 0.00 C ATOM 388 O ALA A 26 55.978 -0.862 -4.025 1.00 0.00 O ATOM 389 CB ALA A 26 54.410 -1.484 -1.186 1.00 0.00 C ATOM 0 H ALA A 26 56.360 -1.074 0.322 1.00 0.00 H new ATOM 0 HA ALA A 26 56.118 -2.469 -2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.731 -1.770 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.326 -2.200 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.148 -0.489 -0.826 1.00 0.00 H new ATOM 395 N ASP A 27 56.012 0.790 -2.581 1.00 0.00 N ATOM 396 CA ASP A 27 56.105 1.801 -3.672 1.00 0.00 C ATOM 397 C ASP A 27 57.490 1.745 -4.325 1.00 0.00 C ATOM 398 O ASP A 27 57.639 1.997 -5.504 1.00 0.00 O ATOM 399 CB ASP A 27 55.874 3.197 -3.091 1.00 0.00 C ATOM 400 CG ASP A 27 54.381 3.528 -3.138 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.680 3.143 -2.217 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.964 4.160 -4.095 1.00 0.00 O ATOM 0 H ASP A 27 55.997 1.172 -1.635 1.00 0.00 H new ATOM 0 HA ASP A 27 55.347 1.584 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.235 3.239 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.439 3.937 -3.658 1.00 0.00 H new ATOM 407 N VAL A 28 58.504 1.418 -3.573 1.00 0.00 N ATOM 408 CA VAL A 28 59.871 1.353 -4.155 1.00 0.00 C ATOM 409 C VAL A 28 59.928 0.228 -5.189 1.00 0.00 C ATOM 410 O VAL A 28 60.227 0.449 -6.346 1.00 0.00 O ATOM 411 CB VAL A 28 60.885 1.080 -3.045 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.287 0.970 -3.648 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.854 2.230 -2.036 1.00 0.00 C ATOM 0 H VAL A 28 58.444 1.193 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 28 60.109 2.302 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 28 60.632 0.146 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 28 63.010 0.775 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.310 0.153 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.542 1.904 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.577 2.038 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 28 61.108 3.163 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.856 2.310 -1.606 1.00 0.00 H new ATOM 423 N ALA A 29 59.639 -0.976 -4.781 1.00 0.00 N ATOM 424 CA ALA A 29 59.673 -2.112 -5.743 1.00 0.00 C ATOM 425 C ALA A 29 58.808 -1.765 -6.955 1.00 0.00 C ATOM 426 O ALA A 29 59.256 -1.806 -8.083 1.00 0.00 O ATOM 427 CB ALA A 29 59.128 -3.372 -5.066 1.00 0.00 C ATOM 0 H ALA A 29 59.381 -1.222 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 29 60.699 -2.293 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 29 59.153 -4.203 -5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.742 -3.613 -4.198 1.00 0.00 H new ATOM 0 HB3 ALA A 29 58.100 -3.198 -4.747 1.00 0.00 H new ATOM 433 N LYS A 30 57.571 -1.414 -6.727 1.00 0.00 N ATOM 434 CA LYS A 30 56.677 -1.053 -7.861 1.00 0.00 C ATOM 435 C LYS A 30 57.344 0.042 -8.693 1.00 0.00 C ATOM 436 O LYS A 30 57.147 0.139 -9.888 1.00 0.00 O ATOM 437 CB LYS A 30 55.345 -0.537 -7.313 1.00 0.00 C ATOM 438 CG LYS A 30 54.219 -1.486 -7.727 1.00 0.00 C ATOM 439 CD LYS A 30 53.780 -1.165 -9.156 1.00 0.00 C ATOM 440 CE LYS A 30 52.282 -0.854 -9.172 1.00 0.00 C ATOM 441 NZ LYS A 30 51.999 0.165 -10.220 1.00 0.00 N ATOM 0 H LYS A 30 57.142 -1.362 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 30 56.497 -1.930 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.391 -0.463 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.148 0.466 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.559 -2.520 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 30 53.375 -1.385 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 30 54.343 -0.314 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 30 53.994 -2.009 -9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 30 51.713 -1.762 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 30 51.966 -0.486 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 50.981 0.377 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 52.531 1.034 -10.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 52.287 -0.203 -11.149 1.00 0.00 H new ATOM 455 N LYS A 31 58.137 0.867 -8.065 1.00 0.00 N ATOM 456 CA LYS A 31 58.824 1.958 -8.809 1.00 0.00 C ATOM 457 C LYS A 31 59.698 1.352 -9.908 1.00 0.00 C ATOM 458 O LYS A 31 59.721 1.823 -11.027 1.00 0.00 O ATOM 459 CB LYS A 31 59.700 2.756 -7.839 1.00 0.00 C ATOM 460 CG LYS A 31 59.998 4.136 -8.428 1.00 0.00 C ATOM 461 CD LYS A 31 58.689 4.816 -8.832 1.00 0.00 C ATOM 462 CE LYS A 31 58.763 6.307 -8.502 1.00 0.00 C ATOM 463 NZ LYS A 31 59.200 7.061 -9.711 1.00 0.00 N ATOM 0 H LYS A 31 58.338 0.831 -7.066 1.00 0.00 H new ATOM 0 HA LYS A 31 58.083 2.619 -9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 31 59.194 2.861 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.631 2.221 -7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 31 60.527 4.748 -7.697 1.00 0.00 H new ATOM 0 HG3 LYS A 31 60.652 4.039 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 31 58.509 4.678 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.852 4.358 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 31 57.789 6.666 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 31 59.462 6.475 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 59.251 8.076 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 60.138 6.725 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 58.517 6.910 -10.480 1.00 0.00 H new ATOM 477 N TYR A 32 60.414 0.308 -9.598 1.00 0.00 N ATOM 478 CA TYR A 32 61.283 -0.329 -10.625 1.00 0.00 C ATOM 479 C TYR A 32 60.470 -1.391 -11.376 1.00 0.00 C ATOM 480 O TYR A 32 59.652 -1.071 -12.214 1.00 0.00 O ATOM 481 CB TYR A 32 62.493 -0.966 -9.938 1.00 0.00 C ATOM 482 CG TYR A 32 63.254 0.095 -9.177 1.00 0.00 C ATOM 483 CD1 TYR A 32 64.091 0.985 -9.863 1.00 0.00 C ATOM 484 CD2 TYR A 32 63.123 0.187 -7.786 1.00 0.00 C ATOM 485 CE1 TYR A 32 64.797 1.967 -9.156 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.830 1.169 -7.079 1.00 0.00 C ATOM 487 CZ TYR A 32 64.667 2.058 -7.764 1.00 0.00 C ATOM 488 OH TYR A 32 65.364 3.024 -7.067 1.00 0.00 O ATOM 0 H TYR A 32 60.435 -0.132 -8.678 1.00 0.00 H new ATOM 0 HA TYR A 32 61.637 0.417 -11.337 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.167 -1.753 -9.258 1.00 0.00 H new ATOM 0 HB3 TYR A 32 63.142 -1.433 -10.679 1.00 0.00 H new ATOM 0 HD1 TYR A 32 64.192 0.914 -10.936 1.00 0.00 H new ATOM 0 HD2 TYR A 32 62.477 -0.499 -7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 32 65.442 2.654 -9.684 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.729 1.240 -6.006 1.00 0.00 H new ATOM 0 HH TYR A 32 65.160 2.949 -6.111 1.00 0.00 H new ATOM 498 N ALA A 33 60.674 -2.650 -11.083 1.00 0.00 N ATOM 499 CA ALA A 33 59.896 -3.706 -11.783 1.00 0.00 C ATOM 500 C ALA A 33 60.433 -3.888 -13.200 1.00 0.00 C ATOM 501 O ALA A 33 60.231 -3.059 -14.066 1.00 0.00 O ATOM 502 CB ALA A 33 58.423 -3.299 -11.839 1.00 0.00 C ATOM 0 H ALA A 33 61.344 -2.988 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 33 59.993 -4.647 -11.241 1.00 0.00 H new ATOM 0 HB1 ALA A 33 57.851 -4.072 -12.352 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.040 -3.177 -10.826 1.00 0.00 H new ATOM 0 HB3 ALA A 33 58.326 -2.357 -12.379 1.00 0.00 H new ATOM 508 N GLY A 34 61.121 -4.967 -13.438 1.00 0.00 N ATOM 509 CA GLY A 34 61.683 -5.212 -14.795 1.00 0.00 C ATOM 510 C GLY A 34 63.094 -4.632 -14.864 1.00 0.00 C ATOM 511 O GLY A 34 63.841 -4.892 -15.788 1.00 0.00 O ATOM 0 H GLY A 34 61.320 -5.693 -12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.705 -6.281 -15.005 1.00 0.00 H new ATOM 0 HA3 GLY A 34 61.050 -4.751 -15.553 1.00 0.00 H new ATOM 515 N ARG A 35 63.465 -3.847 -13.891 1.00 0.00 N ATOM 516 CA ARG A 35 64.830 -3.249 -13.896 1.00 0.00 C ATOM 517 C ARG A 35 65.837 -4.289 -13.403 1.00 0.00 C ATOM 518 O ARG A 35 65.974 -4.524 -12.219 1.00 0.00 O ATOM 519 CB ARG A 35 64.857 -2.029 -12.974 1.00 0.00 C ATOM 520 CG ARG A 35 65.624 -0.892 -13.655 1.00 0.00 C ATOM 521 CD ARG A 35 64.771 0.378 -13.647 1.00 0.00 C ATOM 522 NE ARG A 35 65.660 1.574 -13.706 1.00 0.00 N ATOM 523 CZ ARG A 35 65.166 2.745 -14.003 1.00 0.00 C ATOM 524 NH1 ARG A 35 63.891 2.878 -14.250 1.00 0.00 N ATOM 525 NH2 ARG A 35 65.948 3.788 -14.052 1.00 0.00 N ATOM 0 H ARG A 35 62.883 -3.594 -13.093 1.00 0.00 H new ATOM 0 HA ARG A 35 65.091 -2.940 -14.908 1.00 0.00 H new ATOM 0 HB2 ARG A 35 63.840 -1.710 -12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 35 65.331 -2.286 -12.027 1.00 0.00 H new ATOM 0 HG2 ARG A 35 66.566 -0.713 -13.136 1.00 0.00 H new ATOM 0 HG3 ARG A 35 65.872 -1.169 -14.680 1.00 0.00 H new ATOM 0 HD2 ARG A 35 64.089 0.376 -14.497 1.00 0.00 H new ATOM 0 HD3 ARG A 35 64.158 0.411 -12.746 1.00 0.00 H new ATOM 0 HE ARG A 35 66.657 1.477 -13.514 1.00 0.00 H new ATOM 0 HH11 ARG A 35 63.276 2.065 -14.211 1.00 0.00 H new ATOM 0 HH12 ARG A 35 63.509 3.795 -14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 35 66.944 3.688 -13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 35 65.563 4.704 -14.284 1.00 0.00 H new ATOM 539 N LYS A 36 66.541 -4.916 -14.305 1.00 0.00 N ATOM 540 CA LYS A 36 67.535 -5.945 -13.893 1.00 0.00 C ATOM 541 C LYS A 36 68.668 -5.282 -13.107 1.00 0.00 C ATOM 542 O LYS A 36 69.506 -5.946 -12.530 1.00 0.00 O ATOM 543 CB LYS A 36 68.108 -6.622 -15.139 1.00 0.00 C ATOM 544 CG LYS A 36 67.740 -8.107 -15.124 1.00 0.00 C ATOM 545 CD LYS A 36 67.060 -8.476 -16.444 1.00 0.00 C ATOM 546 CE LYS A 36 67.281 -9.962 -16.731 1.00 0.00 C ATOM 547 NZ LYS A 36 68.457 -10.124 -17.632 1.00 0.00 N ATOM 0 H LYS A 36 66.470 -4.759 -15.310 1.00 0.00 H new ATOM 0 HA LYS A 36 67.047 -6.689 -13.263 1.00 0.00 H new ATOM 0 HB2 LYS A 36 67.714 -6.147 -16.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 69.191 -6.505 -15.165 1.00 0.00 H new ATOM 0 HG2 LYS A 36 68.635 -8.713 -14.981 1.00 0.00 H new ATOM 0 HG3 LYS A 36 67.074 -8.319 -14.287 1.00 0.00 H new ATOM 0 HD2 LYS A 36 65.993 -8.260 -16.389 1.00 0.00 H new ATOM 0 HD3 LYS A 36 67.466 -7.873 -17.256 1.00 0.00 H new ATOM 0 HE2 LYS A 36 67.446 -10.503 -15.799 1.00 0.00 H new ATOM 0 HE3 LYS A 36 66.392 -10.390 -17.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 68.608 -11.134 -17.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 68.282 -9.621 -18.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 69.303 -9.730 -17.173 1.00 0.00 H new ATOM 561 N ASP A 37 68.704 -3.978 -13.081 1.00 0.00 N ATOM 562 CA ASP A 37 69.785 -3.280 -12.331 1.00 0.00 C ATOM 563 C ASP A 37 69.185 -2.549 -11.128 1.00 0.00 C ATOM 564 O ASP A 37 69.713 -1.557 -10.665 1.00 0.00 O ATOM 565 CB ASP A 37 70.476 -2.272 -13.252 1.00 0.00 C ATOM 566 CG ASP A 37 71.914 -2.725 -13.517 1.00 0.00 C ATOM 567 OD1 ASP A 37 72.759 -2.469 -12.673 1.00 0.00 O ATOM 568 OD2 ASP A 37 72.147 -3.319 -14.556 1.00 0.00 O ATOM 0 H ASP A 37 68.033 -3.367 -13.546 1.00 0.00 H new ATOM 0 HA ASP A 37 70.514 -4.011 -11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 37 69.931 -2.189 -14.192 1.00 0.00 H new ATOM 0 HB3 ASP A 37 70.474 -1.283 -12.793 1.00 0.00 H new ATOM 573 N ALA A 38 68.083 -3.030 -10.616 1.00 0.00 N ATOM 574 CA ALA A 38 67.452 -2.360 -9.443 1.00 0.00 C ATOM 575 C ALA A 38 68.101 -2.859 -8.152 1.00 0.00 C ATOM 576 O ALA A 38 68.182 -2.145 -7.172 1.00 0.00 O ATOM 577 CB ALA A 38 65.956 -2.679 -9.413 1.00 0.00 C ATOM 0 H ALA A 38 67.594 -3.857 -10.959 1.00 0.00 H new ATOM 0 HA ALA A 38 67.594 -1.283 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.497 -2.188 -8.555 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.489 -2.319 -10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.815 -3.757 -9.333 1.00 0.00 H new ATOM 583 N VAL A 39 68.565 -4.077 -8.141 1.00 0.00 N ATOM 584 CA VAL A 39 69.209 -4.613 -6.908 1.00 0.00 C ATOM 585 C VAL A 39 70.545 -3.900 -6.686 1.00 0.00 C ATOM 586 O VAL A 39 70.882 -3.524 -5.580 1.00 0.00 O ATOM 587 CB VAL A 39 69.448 -6.115 -7.069 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.392 -6.607 -5.970 1.00 0.00 C ATOM 589 CG2 VAL A 39 68.113 -6.858 -6.960 1.00 0.00 C ATOM 0 H VAL A 39 68.527 -4.723 -8.929 1.00 0.00 H new ATOM 0 HA VAL A 39 68.558 -4.442 -6.050 1.00 0.00 H new ATOM 0 HB VAL A 39 69.896 -6.306 -8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.560 -7.678 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.343 -6.080 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.946 -6.415 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 39 68.282 -7.929 -7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 39 67.667 -6.663 -5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 39 67.439 -6.511 -7.743 1.00 0.00 H new ATOM 599 N ASP A 40 71.309 -3.712 -7.728 1.00 0.00 N ATOM 600 CA ASP A 40 72.622 -3.025 -7.577 1.00 0.00 C ATOM 601 C ASP A 40 72.393 -1.528 -7.360 1.00 0.00 C ATOM 602 O ASP A 40 72.850 -0.954 -6.391 1.00 0.00 O ATOM 603 CB ASP A 40 73.458 -3.233 -8.843 1.00 0.00 C ATOM 604 CG ASP A 40 74.158 -4.592 -8.777 1.00 0.00 C ATOM 605 OD1 ASP A 40 73.506 -5.555 -8.410 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.335 -4.646 -9.093 1.00 0.00 O ATOM 0 H ASP A 40 71.080 -4.005 -8.678 1.00 0.00 H new ATOM 0 HA ASP A 40 73.151 -3.441 -6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 40 72.819 -3.184 -9.725 1.00 0.00 H new ATOM 0 HB3 ASP A 40 74.196 -2.437 -8.939 1.00 0.00 H new ATOM 611 N TYR A 41 71.690 -0.889 -8.256 1.00 0.00 N ATOM 612 CA TYR A 41 71.436 0.570 -8.098 1.00 0.00 C ATOM 613 C TYR A 41 70.898 0.843 -6.693 1.00 0.00 C ATOM 614 O TYR A 41 71.411 1.677 -5.972 1.00 0.00 O ATOM 615 CB TYR A 41 70.408 1.024 -9.136 1.00 0.00 C ATOM 616 CG TYR A 41 70.222 2.518 -9.035 1.00 0.00 C ATOM 617 CD1 TYR A 41 71.333 3.368 -9.103 1.00 0.00 C ATOM 618 CD2 TYR A 41 68.940 3.053 -8.870 1.00 0.00 C ATOM 619 CE1 TYR A 41 71.161 4.753 -9.005 1.00 0.00 C ATOM 620 CE2 TYR A 41 68.768 4.439 -8.772 1.00 0.00 C ATOM 621 CZ TYR A 41 69.878 5.289 -8.840 1.00 0.00 C ATOM 622 OH TYR A 41 69.709 6.655 -8.744 1.00 0.00 O ATOM 0 H TYR A 41 71.282 -1.314 -9.089 1.00 0.00 H new ATOM 0 HA TYR A 41 72.366 1.120 -8.244 1.00 0.00 H new ATOM 0 HB2 TYR A 41 70.743 0.755 -10.138 1.00 0.00 H new ATOM 0 HB3 TYR A 41 69.458 0.516 -8.970 1.00 0.00 H new ATOM 0 HD1 TYR A 41 72.322 2.954 -9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 41 68.083 2.397 -8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 41 72.018 5.409 -9.057 1.00 0.00 H new ATOM 0 HE2 TYR A 41 67.779 4.852 -8.644 1.00 0.00 H new ATOM 0 HH TYR A 41 68.757 6.860 -8.634 1.00 0.00 H new ATOM 632 N LEU A 42 69.869 0.146 -6.296 1.00 0.00 N ATOM 633 CA LEU A 42 69.301 0.365 -4.936 1.00 0.00 C ATOM 634 C LEU A 42 70.423 0.305 -3.901 1.00 0.00 C ATOM 635 O LEU A 42 70.726 1.279 -3.241 1.00 0.00 O ATOM 636 CB LEU A 42 68.273 -0.727 -4.631 1.00 0.00 C ATOM 637 CG LEU A 42 67.025 -0.505 -5.485 1.00 0.00 C ATOM 638 CD1 LEU A 42 66.214 -1.801 -5.548 1.00 0.00 C ATOM 639 CD2 LEU A 42 66.171 0.599 -4.858 1.00 0.00 C ATOM 0 H LEU A 42 69.397 -0.565 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 42 68.819 1.342 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.698 -1.709 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.011 -0.709 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 42 67.320 -0.211 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 42 65.324 -1.644 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.822 -2.590 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.918 -2.094 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.280 0.759 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.875 0.303 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.748 1.522 -4.810 1.00 0.00 H new ATOM 651 N ALA A 43 71.038 -0.833 -3.756 1.00 0.00 N ATOM 652 CA ALA A 43 72.143 -0.969 -2.765 1.00 0.00 C ATOM 653 C ALA A 43 73.048 0.263 -2.834 1.00 0.00 C ATOM 654 O ALA A 43 73.622 0.679 -1.848 1.00 0.00 O ATOM 655 CB ALA A 43 72.961 -2.223 -3.082 1.00 0.00 C ATOM 0 H ALA A 43 70.823 -1.680 -4.283 1.00 0.00 H new ATOM 0 HA ALA A 43 71.723 -1.053 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.769 -2.323 -2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.317 -3.101 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.381 -2.140 -4.085 1.00 0.00 H new ATOM 661 N GLY A 44 73.180 0.850 -3.991 1.00 0.00 N ATOM 662 CA GLY A 44 74.048 2.055 -4.117 1.00 0.00 C ATOM 663 C GLY A 44 73.432 3.214 -3.331 1.00 0.00 C ATOM 664 O GLY A 44 74.051 3.778 -2.451 1.00 0.00 O ATOM 0 H GLY A 44 72.726 0.549 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 44 75.047 1.837 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 44 74.156 2.330 -5.166 1.00 0.00 H new ATOM 668 N LYS A 45 72.215 3.572 -3.640 1.00 0.00 N ATOM 669 CA LYS A 45 71.561 4.693 -2.909 1.00 0.00 C ATOM 670 C LYS A 45 71.220 4.244 -1.486 1.00 0.00 C ATOM 671 O LYS A 45 70.752 5.018 -0.675 1.00 0.00 O ATOM 672 CB LYS A 45 70.276 5.097 -3.638 1.00 0.00 C ATOM 673 CG LYS A 45 70.632 5.733 -4.983 1.00 0.00 C ATOM 674 CD LYS A 45 69.406 6.453 -5.548 1.00 0.00 C ATOM 675 CE LYS A 45 69.746 7.925 -5.790 1.00 0.00 C ATOM 676 NZ LYS A 45 69.590 8.685 -4.517 1.00 0.00 N ATOM 0 H LYS A 45 71.647 3.137 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 45 72.239 5.545 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 45 69.643 4.223 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.706 5.800 -3.031 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.455 6.437 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.971 4.967 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 45 69.092 5.983 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 45 68.570 6.371 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 45 70.767 8.018 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 45 69.091 8.340 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 69.552 9.704 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 68.710 8.394 -4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 70.399 8.488 -3.894 1.00 0.00 H new ATOM 690 N ILE A 46 71.454 2.997 -1.174 1.00 0.00 N ATOM 691 CA ILE A 46 71.144 2.501 0.195 1.00 0.00 C ATOM 692 C ILE A 46 72.308 2.834 1.131 1.00 0.00 C ATOM 693 O ILE A 46 72.114 3.306 2.233 1.00 0.00 O ATOM 694 CB ILE A 46 70.936 0.984 0.150 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.581 0.681 -0.497 1.00 0.00 C ATOM 696 CG2 ILE A 46 70.959 0.416 1.571 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.373 -0.833 -0.562 1.00 0.00 C ATOM 0 H ILE A 46 71.846 2.302 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 46 70.236 2.980 0.563 1.00 0.00 H new ATOM 0 HB ILE A 46 71.735 0.525 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.780 1.144 0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.541 1.107 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.811 -0.663 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 46 71.921 0.634 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.162 0.872 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.409 -1.048 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.168 -1.284 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.394 -1.247 0.446 1.00 0.00 H new ATOM 709 N LYS A 47 73.517 2.593 0.702 1.00 0.00 N ATOM 710 CA LYS A 47 74.688 2.899 1.569 1.00 0.00 C ATOM 711 C LYS A 47 75.064 4.376 1.424 1.00 0.00 C ATOM 712 O LYS A 47 76.051 4.832 1.969 1.00 0.00 O ATOM 713 CB LYS A 47 75.875 2.027 1.152 1.00 0.00 C ATOM 714 CG LYS A 47 76.803 1.820 2.351 1.00 0.00 C ATOM 715 CD LYS A 47 78.172 1.343 1.864 1.00 0.00 C ATOM 716 CE LYS A 47 79.256 2.298 2.368 1.00 0.00 C ATOM 717 NZ LYS A 47 80.586 1.843 1.873 1.00 0.00 N ATOM 0 H LYS A 47 73.743 2.198 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 47 74.431 2.692 2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.521 1.065 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.419 2.501 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.908 2.751 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.373 1.087 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.366 0.333 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.188 1.301 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.054 3.311 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 47 79.252 2.328 3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 81.324 2.491 2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 80.778 0.883 2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.586 1.836 0.833 1.00 0.00 H new ATOM 731 N LYS A 48 74.285 5.132 0.697 1.00 0.00 N ATOM 732 CA LYS A 48 74.602 6.578 0.523 1.00 0.00 C ATOM 733 C LYS A 48 73.378 7.417 0.905 1.00 0.00 C ATOM 734 O LYS A 48 73.307 7.972 1.983 1.00 0.00 O ATOM 735 CB LYS A 48 74.974 6.850 -0.937 1.00 0.00 C ATOM 736 CG LYS A 48 76.444 6.488 -1.166 1.00 0.00 C ATOM 737 CD LYS A 48 77.314 7.737 -0.996 1.00 0.00 C ATOM 738 CE LYS A 48 78.361 7.783 -2.111 1.00 0.00 C ATOM 739 NZ LYS A 48 79.574 8.498 -1.624 1.00 0.00 N ATOM 0 H LYS A 48 73.444 4.811 0.217 1.00 0.00 H new ATOM 0 HA LYS A 48 75.441 6.846 1.165 1.00 0.00 H new ATOM 0 HB2 LYS A 48 74.337 6.265 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.805 7.900 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 48 76.754 5.718 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.576 6.074 -2.166 1.00 0.00 H new ATOM 0 HD2 LYS A 48 76.694 8.633 -1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 48 77.804 7.723 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 48 78.622 6.771 -2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.954 8.290 -2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 80.286 8.530 -2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 79.318 9.468 -1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 79.966 7.997 -0.801 1.00 0.00 H new ATOM 753 N GLY A 49 72.413 7.513 0.031 1.00 0.00 N ATOM 754 CA GLY A 49 71.197 8.315 0.350 1.00 0.00 C ATOM 755 C GLY A 49 70.899 9.277 -0.801 1.00 0.00 C ATOM 756 O GLY A 49 71.091 8.957 -1.956 1.00 0.00 O ATOM 0 H GLY A 49 72.414 7.072 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.346 7.654 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 49 71.350 8.873 1.274 1.00 0.00 H new ATOM 760 N GLY A 50 70.430 10.458 -0.495 1.00 0.00 N ATOM 761 CA GLY A 50 70.123 11.439 -1.575 1.00 0.00 C ATOM 762 C GLY A 50 68.620 11.723 -1.604 1.00 0.00 C ATOM 763 O GLY A 50 67.911 11.475 -0.648 1.00 0.00 O ATOM 0 H GLY A 50 70.247 10.784 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 50 70.674 12.364 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 50 70.447 11.046 -2.539 1.00 0.00 H new ATOM 767 N SER A 51 68.129 12.243 -2.696 1.00 0.00 N ATOM 768 CA SER A 51 66.676 12.544 -2.796 1.00 0.00 C ATOM 769 C SER A 51 66.354 13.025 -4.213 1.00 0.00 C ATOM 770 O SER A 51 67.217 13.491 -4.930 1.00 0.00 O ATOM 771 CB SER A 51 66.306 13.637 -1.791 1.00 0.00 C ATOM 772 OG SER A 51 67.091 14.795 -2.046 1.00 0.00 O ATOM 0 H SER A 51 68.676 12.473 -3.526 1.00 0.00 H new ATOM 0 HA SER A 51 66.104 11.643 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 51 65.246 13.877 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 51 66.477 13.285 -0.774 1.00 0.00 H new ATOM 0 HG SER A 51 66.778 15.533 -1.482 1.00 0.00 H new ATOM 778 N GLY A 52 65.121 12.913 -4.622 1.00 0.00 N ATOM 779 CA GLY A 52 64.750 13.364 -5.993 1.00 0.00 C ATOM 780 C GLY A 52 63.857 12.312 -6.651 1.00 0.00 C ATOM 781 O GLY A 52 63.106 12.603 -7.561 1.00 0.00 O ATOM 0 H GLY A 52 64.355 12.530 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 52 64.229 14.320 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 52 65.648 13.520 -6.591 1.00 0.00 H new ATOM 785 N VAL A 53 63.931 11.092 -6.199 1.00 0.00 N ATOM 786 CA VAL A 53 63.084 10.022 -6.799 1.00 0.00 C ATOM 787 C VAL A 53 61.719 10.009 -6.107 1.00 0.00 C ATOM 788 O VAL A 53 60.729 9.598 -6.677 1.00 0.00 O ATOM 789 CB VAL A 53 63.764 8.665 -6.609 1.00 0.00 C ATOM 790 CG1 VAL A 53 62.824 7.554 -7.081 1.00 0.00 C ATOM 791 CG2 VAL A 53 65.055 8.622 -7.431 1.00 0.00 C ATOM 0 H VAL A 53 64.541 10.788 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 53 62.953 10.215 -7.864 1.00 0.00 H new ATOM 0 HB VAL A 53 63.999 8.521 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 53 63.308 6.586 -6.946 1.00 0.00 H new ATOM 0 HG12 VAL A 53 61.904 7.584 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 53 62.590 7.699 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 53 65.540 7.655 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 53 64.820 8.766 -8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 53 65.725 9.414 -7.097 1.00 0.00 H new ATOM 801 N TRP A 54 61.661 10.452 -4.881 1.00 0.00 N ATOM 802 CA TRP A 54 60.360 10.461 -4.154 1.00 0.00 C ATOM 803 C TRP A 54 60.090 11.859 -3.593 1.00 0.00 C ATOM 804 O TRP A 54 58.955 12.275 -3.462 1.00 0.00 O ATOM 805 CB TRP A 54 60.411 9.449 -3.007 1.00 0.00 C ATOM 806 CG TRP A 54 60.719 8.094 -3.557 1.00 0.00 C ATOM 807 CD1 TRP A 54 61.950 7.534 -3.602 1.00 0.00 C ATOM 808 CD2 TRP A 54 59.803 7.122 -4.138 1.00 0.00 C ATOM 809 NE1 TRP A 54 61.847 6.279 -4.177 1.00 0.00 N ATOM 810 CE2 TRP A 54 60.544 5.980 -4.523 1.00 0.00 C ATOM 811 CE3 TRP A 54 58.415 7.119 -4.366 1.00 0.00 C ATOM 812 CZ2 TRP A 54 59.931 4.875 -5.115 1.00 0.00 C ATOM 813 CZ3 TRP A 54 57.794 6.009 -4.962 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.551 4.889 -5.335 1.00 0.00 C ATOM 0 H TRP A 54 62.457 10.808 -4.352 1.00 0.00 H new ATOM 0 HA TRP A 54 59.560 10.191 -4.843 1.00 0.00 H new ATOM 0 HB2 TRP A 54 61.171 9.741 -2.282 1.00 0.00 H new ATOM 0 HB3 TRP A 54 59.457 9.432 -2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 54 62.862 7.991 -3.248 1.00 0.00 H new ATOM 0 HE1 TRP A 54 62.637 5.652 -4.327 1.00 0.00 H new ATOM 0 HE3 TRP A 54 57.823 7.976 -4.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.519 4.015 -5.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 56.728 6.018 -5.134 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.068 4.038 -5.792 1.00 0.00 H new ATOM 825 N GLY A 55 61.119 12.592 -3.261 1.00 0.00 N ATOM 826 CA GLY A 55 60.908 13.961 -2.710 1.00 0.00 C ATOM 827 C GLY A 55 62.259 14.645 -2.497 1.00 0.00 C ATOM 828 O GLY A 55 63.286 14.164 -2.936 1.00 0.00 O ATOM 0 H GLY A 55 62.093 12.303 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.296 14.549 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.366 13.904 -1.766 1.00 0.00 H new ATOM 832 N SER A 56 62.267 15.764 -1.825 1.00 0.00 N ATOM 833 CA SER A 56 63.549 16.480 -1.581 1.00 0.00 C ATOM 834 C SER A 56 64.156 16.002 -0.261 1.00 0.00 C ATOM 835 O SER A 56 65.336 16.158 -0.016 1.00 0.00 O ATOM 836 CB SER A 56 63.285 17.985 -1.506 1.00 0.00 C ATOM 837 OG SER A 56 64.292 18.600 -0.714 1.00 0.00 O ATOM 0 H SER A 56 61.439 16.213 -1.434 1.00 0.00 H new ATOM 0 HA SER A 56 64.243 16.273 -2.396 1.00 0.00 H new ATOM 0 HB2 SER A 56 63.281 18.415 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 56 62.302 18.172 -1.074 1.00 0.00 H new ATOM 0 HG SER A 56 64.126 19.565 -0.665 1.00 0.00 H new ATOM 843 N VAL A 57 63.360 15.418 0.592 1.00 0.00 N ATOM 844 CA VAL A 57 63.894 14.929 1.893 1.00 0.00 C ATOM 845 C VAL A 57 65.220 14.193 1.652 1.00 0.00 C ATOM 846 O VAL A 57 65.244 13.179 0.983 1.00 0.00 O ATOM 847 CB VAL A 57 62.887 13.967 2.526 1.00 0.00 C ATOM 848 CG1 VAL A 57 62.830 12.677 1.707 1.00 0.00 C ATOM 849 CG2 VAL A 57 63.325 13.645 3.956 1.00 0.00 C ATOM 0 H VAL A 57 62.363 15.259 0.444 1.00 0.00 H new ATOM 0 HA VAL A 57 64.060 15.774 2.561 1.00 0.00 H new ATOM 0 HB VAL A 57 61.900 14.430 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.113 11.991 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 57 62.521 12.907 0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.816 12.212 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 57 62.609 12.960 4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 57 64.311 13.181 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 57 63.367 14.565 4.540 1.00 0.00 H new ATOM 859 N PRO A 58 66.285 14.725 2.199 1.00 0.00 N ATOM 860 CA PRO A 58 67.628 14.135 2.049 1.00 0.00 C ATOM 861 C PRO A 58 67.799 12.930 2.979 1.00 0.00 C ATOM 862 O PRO A 58 67.833 13.067 4.186 1.00 0.00 O ATOM 863 CB PRO A 58 68.568 15.273 2.456 1.00 0.00 C ATOM 864 CG PRO A 58 67.735 16.232 3.339 1.00 0.00 C ATOM 865 CD PRO A 58 66.255 15.958 3.012 1.00 0.00 C ATOM 0 HA PRO A 58 67.819 13.766 1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.428 14.889 3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 58 68.955 15.790 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.937 16.059 4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.992 17.271 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.665 15.823 3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 58 65.809 16.787 2.462 1.00 0.00 H new ATOM 873 N MET A 59 67.918 11.752 2.428 1.00 0.00 N ATOM 874 CA MET A 59 68.101 10.548 3.285 1.00 0.00 C ATOM 875 C MET A 59 69.591 10.402 3.619 1.00 0.00 C ATOM 876 O MET A 59 70.433 10.579 2.760 1.00 0.00 O ATOM 877 CB MET A 59 67.613 9.306 2.536 1.00 0.00 C ATOM 878 CG MET A 59 67.964 8.048 3.334 1.00 0.00 C ATOM 879 SD MET A 59 68.151 6.647 2.202 1.00 0.00 S ATOM 880 CE MET A 59 68.862 5.486 3.395 1.00 0.00 C ATOM 0 H MET A 59 67.896 11.573 1.424 1.00 0.00 H new ATOM 0 HA MET A 59 67.526 10.655 4.205 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.535 9.362 2.384 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.073 9.262 1.549 1.00 0.00 H new ATOM 0 HG2 MET A 59 68.887 8.204 3.892 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.182 7.838 4.064 1.00 0.00 H new ATOM 0 HE1 MET A 59 68.704 4.465 3.048 1.00 0.00 H new ATOM 0 HE2 MET A 59 69.931 5.674 3.493 1.00 0.00 H new ATOM 0 HE3 MET A 59 68.380 5.619 4.364 1.00 0.00 H new ATOM 890 N PRO A 60 69.872 10.099 4.861 1.00 0.00 N ATOM 891 CA PRO A 60 71.254 9.938 5.346 1.00 0.00 C ATOM 892 C PRO A 60 71.803 8.553 4.984 1.00 0.00 C ATOM 893 O PRO A 60 71.049 7.638 4.721 1.00 0.00 O ATOM 894 CB PRO A 60 71.115 10.082 6.865 1.00 0.00 C ATOM 895 CG PRO A 60 69.644 9.740 7.205 1.00 0.00 C ATOM 896 CD PRO A 60 68.842 9.887 5.899 1.00 0.00 C ATOM 0 HA PRO A 60 71.944 10.659 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.799 9.410 7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.361 11.095 7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.563 8.726 7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.259 10.410 7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.248 8.996 5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.149 10.727 5.950 1.00 0.00 H new ATOM 904 N PRO A 61 73.107 8.442 4.998 1.00 0.00 N ATOM 905 CA PRO A 61 73.799 7.180 4.691 1.00 0.00 C ATOM 906 C PRO A 61 73.729 6.250 5.905 1.00 0.00 C ATOM 907 O PRO A 61 73.845 6.683 7.034 1.00 0.00 O ATOM 908 CB PRO A 61 75.241 7.617 4.415 1.00 0.00 C ATOM 909 CG PRO A 61 75.423 8.983 5.116 1.00 0.00 C ATOM 910 CD PRO A 61 74.011 9.566 5.319 1.00 0.00 C ATOM 0 HA PRO A 61 73.365 6.634 3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 61 75.950 6.884 4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.423 7.703 3.344 1.00 0.00 H new ATOM 0 HG2 PRO A 61 75.934 8.863 6.072 1.00 0.00 H new ATOM 0 HG3 PRO A 61 76.034 9.651 4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 61 73.867 9.914 6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.834 10.419 4.664 1.00 0.00 H new ATOM 918 N GLN A 62 73.529 4.980 5.689 1.00 0.00 N ATOM 919 CA GLN A 62 73.441 4.041 6.842 1.00 0.00 C ATOM 920 C GLN A 62 74.704 3.183 6.913 1.00 0.00 C ATOM 921 O GLN A 62 75.432 3.046 5.949 1.00 0.00 O ATOM 922 CB GLN A 62 72.217 3.141 6.669 1.00 0.00 C ATOM 923 CG GLN A 62 71.019 3.993 6.243 1.00 0.00 C ATOM 924 CD GLN A 62 70.504 4.784 7.447 1.00 0.00 C ATOM 925 OE1 GLN A 62 70.058 4.208 8.419 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.547 6.088 7.424 1.00 0.00 N ATOM 0 H GLN A 62 73.423 4.553 4.769 1.00 0.00 H new ATOM 0 HA GLN A 62 73.348 4.612 7.766 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.418 2.375 5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 62 71.997 2.624 7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.309 4.675 5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.228 3.356 5.847 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.922 6.572 6.608 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.206 6.624 8.222 1.00 0.00 H new ATOM 935 N ASN A 63 74.968 2.603 8.052 1.00 0.00 N ATOM 936 CA ASN A 63 76.181 1.751 8.196 1.00 0.00 C ATOM 937 C ASN A 63 75.840 0.314 7.798 1.00 0.00 C ATOM 938 O ASN A 63 75.233 -0.421 8.552 1.00 0.00 O ATOM 939 CB ASN A 63 76.652 1.780 9.653 1.00 0.00 C ATOM 940 CG ASN A 63 78.040 2.417 9.731 1.00 0.00 C ATOM 941 OD1 ASN A 63 78.180 3.549 10.150 1.00 0.00 O ATOM 942 ND2 ASN A 63 79.082 1.732 9.344 1.00 0.00 N ATOM 0 H ASN A 63 74.394 2.683 8.891 1.00 0.00 H new ATOM 0 HA ASN A 63 76.974 2.129 7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 63 75.947 2.345 10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 63 76.682 0.768 10.056 1.00 0.00 H new ATOM 0 HD21 ASN A 63 80.012 2.147 9.394 1.00 0.00 H new ATOM 0 HD22 ASN A 63 78.966 0.782 8.992 1.00 0.00 H new ATOM 949 N VAL A 64 76.225 -0.095 6.621 1.00 0.00 N ATOM 950 CA VAL A 64 75.919 -1.485 6.181 1.00 0.00 C ATOM 951 C VAL A 64 76.975 -1.949 5.178 1.00 0.00 C ATOM 952 O VAL A 64 77.726 -1.160 4.640 1.00 0.00 O ATOM 953 CB VAL A 64 74.541 -1.519 5.517 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.461 -1.240 6.563 1.00 0.00 C ATOM 955 CG2 VAL A 64 74.478 -0.450 4.424 1.00 0.00 C ATOM 0 H VAL A 64 76.738 0.472 5.946 1.00 0.00 H new ATOM 0 HA VAL A 64 75.924 -2.147 7.047 1.00 0.00 H new ATOM 0 HB VAL A 64 74.374 -2.502 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.480 -1.265 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.506 -1.999 7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.626 -0.257 7.004 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.497 -0.472 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.645 0.532 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 64 75.247 -0.648 3.677 1.00 0.00 H new ATOM 965 N THR A 65 77.034 -3.227 4.917 1.00 0.00 N ATOM 966 CA THR A 65 78.036 -3.745 3.946 1.00 0.00 C ATOM 967 C THR A 65 77.371 -3.905 2.579 1.00 0.00 C ATOM 968 O THR A 65 76.249 -3.486 2.371 1.00 0.00 O ATOM 969 CB THR A 65 78.555 -5.104 4.422 1.00 0.00 C ATOM 970 OG1 THR A 65 77.452 -5.945 4.734 1.00 0.00 O ATOM 971 CG2 THR A 65 79.423 -4.914 5.666 1.00 0.00 C ATOM 0 H THR A 65 76.430 -3.934 5.336 1.00 0.00 H new ATOM 0 HA THR A 65 78.870 -3.047 3.871 1.00 0.00 H new ATOM 0 HB THR A 65 79.152 -5.563 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 65 77.781 -6.817 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 65 79.792 -5.883 6.004 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.267 -4.268 5.425 1.00 0.00 H new ATOM 0 HG23 THR A 65 78.830 -4.456 6.457 1.00 0.00 H new ATOM 979 N ASP A 66 78.051 -4.506 1.641 1.00 0.00 N ATOM 980 CA ASP A 66 77.453 -4.686 0.294 1.00 0.00 C ATOM 981 C ASP A 66 76.521 -5.897 0.304 1.00 0.00 C ATOM 982 O ASP A 66 75.488 -5.901 -0.334 1.00 0.00 O ATOM 983 CB ASP A 66 78.563 -4.899 -0.736 1.00 0.00 C ATOM 984 CG ASP A 66 78.065 -4.474 -2.118 1.00 0.00 C ATOM 985 OD1 ASP A 66 77.014 -3.858 -2.183 1.00 0.00 O ATOM 986 OD2 ASP A 66 78.743 -4.770 -3.087 1.00 0.00 O ATOM 0 H ASP A 66 78.994 -4.879 1.752 1.00 0.00 H new ATOM 0 HA ASP A 66 76.883 -3.795 0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.445 -4.320 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.863 -5.947 -0.752 1.00 0.00 H new ATOM 991 N ALA A 67 76.872 -6.925 1.027 1.00 0.00 N ATOM 992 CA ALA A 67 75.996 -8.129 1.077 1.00 0.00 C ATOM 993 C ALA A 67 74.694 -7.771 1.794 1.00 0.00 C ATOM 994 O ALA A 67 73.624 -8.203 1.412 1.00 0.00 O ATOM 995 CB ALA A 67 76.708 -9.250 1.837 1.00 0.00 C ATOM 0 H ALA A 67 77.725 -6.983 1.584 1.00 0.00 H new ATOM 0 HA ALA A 67 75.777 -8.466 0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.066 -10.130 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.639 -9.500 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.927 -8.919 2.852 1.00 0.00 H new ATOM 1001 N GLU A 68 74.776 -6.981 2.830 1.00 0.00 N ATOM 1002 CA GLU A 68 73.547 -6.590 3.570 1.00 0.00 C ATOM 1003 C GLU A 68 72.653 -5.752 2.657 1.00 0.00 C ATOM 1004 O GLU A 68 71.480 -6.027 2.493 1.00 0.00 O ATOM 1005 CB GLU A 68 73.932 -5.771 4.804 1.00 0.00 C ATOM 1006 CG GLU A 68 74.252 -6.715 5.965 1.00 0.00 C ATOM 1007 CD GLU A 68 73.198 -6.555 7.062 1.00 0.00 C ATOM 1008 OE1 GLU A 68 72.023 -6.645 6.745 1.00 0.00 O ATOM 1009 OE2 GLU A 68 73.583 -6.346 8.201 1.00 0.00 O ATOM 0 H GLU A 68 75.644 -6.590 3.195 1.00 0.00 H new ATOM 0 HA GLU A 68 73.010 -7.485 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.796 -5.144 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 68 73.116 -5.103 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 68 74.272 -7.747 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 68 75.242 -6.495 6.363 1.00 0.00 H new ATOM 1016 N ALA A 69 73.201 -4.732 2.057 1.00 0.00 N ATOM 1017 CA ALA A 69 72.384 -3.878 1.150 1.00 0.00 C ATOM 1018 C ALA A 69 71.783 -4.747 0.046 1.00 0.00 C ATOM 1019 O ALA A 69 70.666 -4.539 -0.385 1.00 0.00 O ATOM 1020 CB ALA A 69 73.272 -2.801 0.526 1.00 0.00 C ATOM 0 H ALA A 69 74.177 -4.453 2.155 1.00 0.00 H new ATOM 0 HA ALA A 69 71.584 -3.402 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.674 -2.176 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.704 -2.184 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.072 -3.274 -0.044 1.00 0.00 H new ATOM 1026 N LYS A 70 72.517 -5.722 -0.414 1.00 0.00 N ATOM 1027 CA LYS A 70 71.993 -6.609 -1.487 1.00 0.00 C ATOM 1028 C LYS A 70 70.695 -7.263 -1.013 1.00 0.00 C ATOM 1029 O LYS A 70 69.704 -7.278 -1.714 1.00 0.00 O ATOM 1030 CB LYS A 70 73.027 -7.694 -1.800 1.00 0.00 C ATOM 1031 CG LYS A 70 73.096 -7.914 -3.313 1.00 0.00 C ATOM 1032 CD LYS A 70 73.772 -9.254 -3.605 1.00 0.00 C ATOM 1033 CE LYS A 70 74.053 -9.368 -5.105 1.00 0.00 C ATOM 1034 NZ LYS A 70 72.796 -9.114 -5.864 1.00 0.00 N ATOM 0 H LYS A 70 73.459 -5.942 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 70 71.799 -6.022 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 70 74.005 -7.399 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.757 -8.624 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 70 72.093 -7.901 -3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 70 73.653 -7.104 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 70 74.702 -9.334 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 70 73.132 -10.075 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 70 74.819 -8.651 -5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 70 74.439 -10.360 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 72.835 -9.610 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 71.983 -9.461 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 72.691 -8.093 -6.030 1.00 0.00 H new ATOM 1048 N GLN A 71 70.694 -7.801 0.176 1.00 0.00 N ATOM 1049 CA GLN A 71 69.463 -8.453 0.701 1.00 0.00 C ATOM 1050 C GLN A 71 68.374 -7.402 0.896 1.00 0.00 C ATOM 1051 O GLN A 71 67.204 -7.716 0.923 1.00 0.00 O ATOM 1052 CB GLN A 71 69.780 -9.135 2.038 1.00 0.00 C ATOM 1053 CG GLN A 71 68.487 -9.378 2.825 1.00 0.00 C ATOM 1054 CD GLN A 71 68.312 -8.274 3.871 1.00 0.00 C ATOM 1055 OE1 GLN A 71 69.068 -8.196 4.820 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.342 -7.409 3.740 1.00 0.00 N ATOM 0 H GLN A 71 71.495 -7.817 0.807 1.00 0.00 H new ATOM 0 HA GLN A 71 69.112 -9.202 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.290 -10.082 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.458 -8.512 2.621 1.00 0.00 H new ATOM 0 HG2 GLN A 71 67.633 -9.391 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.522 -10.353 3.312 1.00 0.00 H new ATOM 0 HE21 GLN A 71 66.706 -7.472 2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 71 67.220 -6.670 4.433 1.00 0.00 H new ATOM 1065 N LEU A 72 68.740 -6.161 1.038 1.00 0.00 N ATOM 1066 CA LEU A 72 67.705 -5.110 1.230 1.00 0.00 C ATOM 1067 C LEU A 72 67.092 -4.749 -0.122 1.00 0.00 C ATOM 1068 O LEU A 72 65.960 -4.315 -0.205 1.00 0.00 O ATOM 1069 CB LEU A 72 68.341 -3.870 1.859 1.00 0.00 C ATOM 1070 CG LEU A 72 68.660 -4.153 3.326 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.941 -3.418 3.725 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.501 -3.672 4.201 1.00 0.00 C ATOM 0 H LEU A 72 69.705 -5.830 1.030 1.00 0.00 H new ATOM 0 HA LEU A 72 66.924 -5.484 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.251 -3.603 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.663 -3.020 1.780 1.00 0.00 H new ATOM 0 HG LEU A 72 68.801 -5.225 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 72 70.166 -3.622 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.767 -3.762 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.804 -2.346 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.728 -3.873 5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.359 -2.601 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.589 -4.199 3.919 1.00 0.00 H new ATOM 1084 N ALA A 73 67.826 -4.931 -1.184 1.00 0.00 N ATOM 1085 CA ALA A 73 67.278 -4.605 -2.529 1.00 0.00 C ATOM 1086 C ALA A 73 66.412 -5.770 -3.009 1.00 0.00 C ATOM 1087 O ALA A 73 65.344 -5.578 -3.557 1.00 0.00 O ATOM 1088 CB ALA A 73 68.428 -4.379 -3.511 1.00 0.00 C ATOM 0 H ALA A 73 68.780 -5.291 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 73 66.675 -3.699 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 73 68.025 -4.140 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 73 69.047 -3.552 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 73 69.033 -5.283 -3.576 1.00 0.00 H new ATOM 1094 N GLN A 74 66.858 -6.977 -2.797 1.00 0.00 N ATOM 1095 CA GLN A 74 66.054 -8.150 -3.230 1.00 0.00 C ATOM 1096 C GLN A 74 64.859 -8.301 -2.288 1.00 0.00 C ATOM 1097 O GLN A 74 63.780 -8.684 -2.692 1.00 0.00 O ATOM 1098 CB GLN A 74 66.917 -9.414 -3.178 1.00 0.00 C ATOM 1099 CG GLN A 74 67.691 -9.553 -4.490 1.00 0.00 C ATOM 1100 CD GLN A 74 68.747 -10.650 -4.348 1.00 0.00 C ATOM 1101 OE1 GLN A 74 68.819 -11.313 -3.331 1.00 0.00 O ATOM 1102 NE2 GLN A 74 69.575 -10.873 -5.332 1.00 0.00 N ATOM 0 H GLN A 74 67.744 -7.200 -2.343 1.00 0.00 H new ATOM 0 HA GLN A 74 65.704 -8.003 -4.252 1.00 0.00 H new ATOM 0 HB2 GLN A 74 67.610 -9.361 -2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.289 -10.291 -3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 74 67.007 -9.795 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.167 -8.606 -4.745 1.00 0.00 H new ATOM 0 HE21 GLN A 74 69.515 -10.317 -6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 74 70.282 -11.603 -5.248 1.00 0.00 H new ATOM 1111 N TRP A 75 65.046 -7.996 -1.033 1.00 0.00 N ATOM 1112 CA TRP A 75 63.921 -8.114 -0.061 1.00 0.00 C ATOM 1113 C TRP A 75 62.917 -6.979 -0.302 1.00 0.00 C ATOM 1114 O TRP A 75 61.720 -7.176 -0.238 1.00 0.00 O ATOM 1115 CB TRP A 75 64.476 -8.023 1.369 1.00 0.00 C ATOM 1116 CG TRP A 75 63.386 -7.646 2.326 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.289 -8.390 2.595 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.275 -6.442 3.135 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.510 -7.718 3.520 1.00 0.00 N ATOM 1120 CE2 TRP A 75 62.077 -6.511 3.883 1.00 0.00 C ATOM 1121 CE3 TRP A 75 64.092 -5.309 3.291 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.701 -5.488 4.755 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.717 -4.277 4.168 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.523 -4.367 4.897 1.00 0.00 C ATOM 0 H TRP A 75 65.928 -7.670 -0.638 1.00 0.00 H new ATOM 0 HA TRP A 75 63.418 -9.072 -0.194 1.00 0.00 H new ATOM 0 HB2 TRP A 75 64.910 -8.980 1.660 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.277 -7.284 1.410 1.00 0.00 H new ATOM 0 HD1 TRP A 75 62.059 -9.351 2.159 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.626 -8.070 3.889 1.00 0.00 H new ATOM 0 HE3 TRP A 75 65.014 -5.231 2.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.781 -5.562 5.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.352 -3.410 4.281 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.239 -3.570 5.568 1.00 0.00 H new ATOM 1135 N ILE A 76 63.392 -5.793 -0.570 1.00 0.00 N ATOM 1136 CA ILE A 76 62.457 -4.654 -0.800 1.00 0.00 C ATOM 1137 C ILE A 76 61.706 -4.857 -2.119 1.00 0.00 C ATOM 1138 O ILE A 76 60.556 -4.488 -2.248 1.00 0.00 O ATOM 1139 CB ILE A 76 63.250 -3.344 -0.847 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.662 -2.953 0.575 1.00 0.00 C ATOM 1141 CG2 ILE A 76 62.380 -2.235 -1.448 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.362 -1.593 0.553 1.00 0.00 C ATOM 0 H ILE A 76 64.383 -5.564 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 76 61.735 -4.609 0.015 1.00 0.00 H new ATOM 0 HB ILE A 76 64.138 -3.479 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.784 -2.911 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 76 64.328 -3.709 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.947 -1.305 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 76 62.083 -2.514 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.491 -2.097 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.654 -1.318 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.249 -1.651 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 76 63.682 -0.840 0.154 1.00 0.00 H new ATOM 1154 N LEU A 77 62.340 -5.440 -3.099 1.00 0.00 N ATOM 1155 CA LEU A 77 61.648 -5.658 -4.400 1.00 0.00 C ATOM 1156 C LEU A 77 60.566 -6.725 -4.221 1.00 0.00 C ATOM 1157 O LEU A 77 59.466 -6.599 -4.721 1.00 0.00 O ATOM 1158 CB LEU A 77 62.660 -6.121 -5.450 1.00 0.00 C ATOM 1159 CG LEU A 77 63.427 -4.910 -5.987 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.573 -5.385 -6.882 1.00 0.00 C ATOM 1161 CD2 LEU A 77 62.481 -4.024 -6.802 1.00 0.00 C ATOM 0 H LEU A 77 63.303 -5.773 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 77 61.191 -4.726 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.353 -6.839 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.147 -6.631 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 77 63.830 -4.339 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 77 65.118 -4.522 -7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.249 -6.015 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.169 -5.957 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 77 63.028 -3.162 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 77 62.076 -4.596 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.664 -3.683 -6.166 1.00 0.00 H new ATOM 1173 N SER A 78 60.867 -7.773 -3.502 1.00 0.00 N ATOM 1174 CA SER A 78 59.855 -8.844 -3.285 1.00 0.00 C ATOM 1175 C SER A 78 58.639 -8.253 -2.567 1.00 0.00 C ATOM 1176 O SER A 78 57.517 -8.664 -2.786 1.00 0.00 O ATOM 1177 CB SER A 78 60.465 -9.955 -2.428 1.00 0.00 C ATOM 1178 OG SER A 78 59.543 -11.033 -2.332 1.00 0.00 O ATOM 0 H SER A 78 61.770 -7.933 -3.056 1.00 0.00 H new ATOM 0 HA SER A 78 59.546 -9.256 -4.246 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.400 -10.299 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.703 -9.575 -1.434 1.00 0.00 H new ATOM 0 HG SER A 78 59.931 -11.748 -1.785 1.00 0.00 H new ATOM 1184 N ILE A 79 58.852 -7.288 -1.713 1.00 0.00 N ATOM 1185 CA ILE A 79 57.707 -6.670 -0.988 1.00 0.00 C ATOM 1186 C ILE A 79 56.797 -5.962 -1.994 1.00 0.00 C ATOM 1187 O ILE A 79 57.194 -5.015 -2.643 1.00 0.00 O ATOM 1188 CB ILE A 79 58.236 -5.657 0.032 1.00 0.00 C ATOM 1189 CG1 ILE A 79 58.824 -6.402 1.233 1.00 0.00 C ATOM 1190 CG2 ILE A 79 57.093 -4.756 0.507 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.256 -5.393 2.299 1.00 0.00 C ATOM 0 H ILE A 79 59.769 -6.902 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 79 57.141 -7.442 -0.467 1.00 0.00 H new ATOM 0 HB ILE A 79 59.008 -5.047 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.085 -7.089 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.677 -7.003 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.474 -4.037 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.672 -4.223 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.319 -5.366 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 79 59.675 -5.924 3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.009 -4.724 1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.392 -4.811 2.621 1.00 0.00 H new ATOM 1203 N LYS A 80 55.581 -6.414 -2.132 1.00 0.00 N ATOM 1204 CA LYS A 80 54.653 -5.765 -3.100 1.00 0.00 C ATOM 1205 C LYS A 80 54.084 -4.484 -2.485 1.00 0.00 C ATOM 1206 O LYS A 80 53.541 -4.562 -1.396 1.00 0.00 O ATOM 1207 CB LYS A 80 53.510 -6.725 -3.435 1.00 0.00 C ATOM 1208 CG LYS A 80 52.753 -7.091 -2.156 1.00 0.00 C ATOM 1209 CD LYS A 80 51.314 -6.577 -2.251 1.00 0.00 C ATOM 1210 CE LYS A 80 50.767 -6.331 -0.845 1.00 0.00 C ATOM 1211 NZ LYS A 80 49.888 -5.128 -0.857 1.00 0.00 N ATOM 1212 OXT LYS A 80 54.202 -3.445 -3.115 1.00 0.00 O ATOM 0 H LYS A 80 55.191 -7.203 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 80 55.196 -5.517 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 80 52.831 -6.262 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 80 53.904 -7.625 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 80 52.756 -8.172 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 80 53.250 -6.655 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 80 51.283 -5.655 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 80 50.691 -7.303 -2.773 1.00 0.00 H new ATOM 0 HE2 LYS A 80 50.206 -7.201 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 80 51.589 -6.187 -0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 49.516 -4.960 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 50.437 -4.300 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 49.097 -5.283 -1.514 1.00 0.00 H new