USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 722 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 67 TYR OH : rot 180:sc= 0.522 USER MOD Set 1.2: A 77 THR OG1 : rot -156:sc= -1.28! USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0944 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.521 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 170:sc= -1.27 (180deg=-1.42) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.88 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= -0.439 (180deg=-2.24!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.038 USER MOD Single : A 43 MET CE :methyl -167:sc= -0.0196 (180deg=-0.297) USER MOD Single : A 45 MET CE :methyl 152:sc= -2.12 (180deg=-5.99!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-10!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= -0.423 (180deg=-1.12) USER MOD Single : A 56 SER OG : rot -111:sc= -0.683 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= 0.0476 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0225 X(o=-0.022,f=-0.093) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0.0052) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.079 -17.605 -13.856 1.00 0.00 N ATOM 2 CA GLY A 1 0.319 -17.215 -13.913 1.00 0.00 C ATOM 3 C GLY A 1 0.462 -15.694 -13.988 1.00 0.00 C ATOM 4 O GLY A 1 -0.522 -14.967 -13.856 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.273 -18.071 -12.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.679 -16.760 -13.947 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.288 -18.264 -14.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.841 -17.590 -13.032 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.792 -17.671 -14.782 1.00 0.00 H new ATOM 8 N SER A 2 1.694 -15.257 -14.200 1.00 0.00 N ATOM 9 CA SER A 2 1.978 -13.835 -14.294 1.00 0.00 C ATOM 10 C SER A 2 3.352 -13.616 -14.932 1.00 0.00 C ATOM 11 O SER A 2 4.302 -14.337 -14.630 1.00 0.00 O ATOM 12 CB SER A 2 1.920 -13.169 -12.918 1.00 0.00 C ATOM 13 OG SER A 2 3.040 -13.518 -12.109 1.00 0.00 O ATOM 0 H SER A 2 2.507 -15.863 -14.309 1.00 0.00 H new ATOM 0 HA SER A 2 1.215 -13.375 -14.923 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.884 -12.086 -13.040 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.001 -13.463 -12.411 1.00 0.00 H new ATOM 0 HG SER A 2 2.967 -13.072 -11.240 1.00 0.00 H new ATOM 19 N SER A 3 3.413 -12.620 -15.803 1.00 0.00 N ATOM 20 CA SER A 3 4.654 -12.298 -16.486 1.00 0.00 C ATOM 21 C SER A 3 4.900 -10.788 -16.441 1.00 0.00 C ATOM 22 O SER A 3 3.969 -10.010 -16.238 1.00 0.00 O ATOM 23 CB SER A 3 4.630 -12.788 -17.934 1.00 0.00 C ATOM 24 OG SER A 3 5.925 -12.769 -18.527 1.00 0.00 O ATOM 0 H SER A 3 2.623 -12.025 -16.052 1.00 0.00 H new ATOM 0 HA SER A 3 5.469 -12.808 -15.972 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.232 -13.802 -17.967 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.955 -12.161 -18.517 1.00 0.00 H new ATOM 0 HG SER A 3 5.867 -13.091 -19.451 1.00 0.00 H new ATOM 30 N GLY A 4 6.158 -10.419 -16.632 1.00 0.00 N ATOM 31 CA GLY A 4 6.538 -9.017 -16.616 1.00 0.00 C ATOM 32 C GLY A 4 7.389 -8.694 -15.387 1.00 0.00 C ATOM 33 O GLY A 4 7.116 -9.184 -14.292 1.00 0.00 O ATOM 0 H GLY A 4 6.928 -11.067 -16.799 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.095 -8.777 -17.522 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.644 -8.394 -16.617 1.00 0.00 H new ATOM 37 N SER A 5 8.403 -7.870 -15.609 1.00 0.00 N ATOM 38 CA SER A 5 9.296 -7.475 -14.532 1.00 0.00 C ATOM 39 C SER A 5 10.263 -6.397 -15.024 1.00 0.00 C ATOM 40 O SER A 5 11.233 -6.698 -15.719 1.00 0.00 O ATOM 41 CB SER A 5 10.071 -8.678 -13.991 1.00 0.00 C ATOM 42 OG SER A 5 9.508 -9.175 -12.780 1.00 0.00 O ATOM 0 H SER A 5 8.626 -7.465 -16.518 1.00 0.00 H new ATOM 0 HA SER A 5 8.694 -7.070 -13.719 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.079 -9.471 -14.739 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.109 -8.393 -13.818 1.00 0.00 H new ATOM 0 HG SER A 5 8.545 -9.314 -12.900 1.00 0.00 H new ATOM 48 N SER A 6 9.967 -5.163 -14.644 1.00 0.00 N ATOM 49 CA SER A 6 10.799 -4.039 -15.038 1.00 0.00 C ATOM 50 C SER A 6 11.401 -3.374 -13.798 1.00 0.00 C ATOM 51 O SER A 6 10.832 -3.451 -12.710 1.00 0.00 O ATOM 52 CB SER A 6 9.999 -3.019 -15.851 1.00 0.00 C ATOM 53 OG SER A 6 9.007 -2.367 -15.062 1.00 0.00 O ATOM 0 H SER A 6 9.162 -4.917 -14.067 1.00 0.00 H new ATOM 0 HA SER A 6 11.604 -4.415 -15.669 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.678 -2.275 -16.267 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.521 -3.521 -16.692 1.00 0.00 H new ATOM 0 HG SER A 6 8.519 -1.723 -15.617 1.00 0.00 H new ATOM 59 N GLY A 7 12.543 -2.735 -14.004 1.00 0.00 N ATOM 60 CA GLY A 7 13.228 -2.057 -12.917 1.00 0.00 C ATOM 61 C GLY A 7 12.845 -0.577 -12.866 1.00 0.00 C ATOM 62 O GLY A 7 13.631 0.286 -13.255 1.00 0.00 O ATOM 0 H GLY A 7 13.011 -2.672 -14.908 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.976 -2.534 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.306 -2.153 -13.046 1.00 0.00 H new ATOM 66 N VAL A 8 11.637 -0.327 -12.383 1.00 0.00 N ATOM 67 CA VAL A 8 11.139 1.034 -12.276 1.00 0.00 C ATOM 68 C VAL A 8 10.506 1.234 -10.897 1.00 0.00 C ATOM 69 O VAL A 8 9.380 0.800 -10.659 1.00 0.00 O ATOM 70 CB VAL A 8 10.175 1.331 -13.426 1.00 0.00 C ATOM 71 CG1 VAL A 8 9.495 2.687 -13.234 1.00 0.00 C ATOM 72 CG2 VAL A 8 10.894 1.263 -14.775 1.00 0.00 C ATOM 0 H VAL A 8 10.988 -1.045 -12.061 1.00 0.00 H new ATOM 0 HA VAL A 8 11.958 1.748 -12.364 1.00 0.00 H new ATOM 0 HB VAL A 8 9.400 0.564 -13.421 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.815 2.874 -14.065 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.934 2.684 -12.300 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.251 3.472 -13.200 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.186 1.478 -15.576 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.699 1.997 -14.796 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.309 0.265 -14.916 1.00 0.00 H new ATOM 82 N SER A 9 11.257 1.891 -10.026 1.00 0.00 N ATOM 83 CA SER A 9 10.782 2.154 -8.678 1.00 0.00 C ATOM 84 C SER A 9 10.168 3.553 -8.603 1.00 0.00 C ATOM 85 O SER A 9 9.002 3.704 -8.240 1.00 0.00 O ATOM 86 CB SER A 9 11.915 2.016 -7.659 1.00 0.00 C ATOM 87 OG SER A 9 11.500 1.312 -6.491 1.00 0.00 O ATOM 0 H SER A 9 12.191 2.249 -10.227 1.00 0.00 H new ATOM 0 HA SER A 9 10.018 1.416 -8.434 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.754 1.493 -8.118 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.272 3.007 -7.378 1.00 0.00 H new ATOM 0 HG SER A 9 12.252 1.243 -5.866 1.00 0.00 H new ATOM 93 N SER A 10 10.980 4.540 -8.951 1.00 0.00 N ATOM 94 CA SER A 10 10.530 5.922 -8.928 1.00 0.00 C ATOM 95 C SER A 10 10.130 6.318 -7.505 1.00 0.00 C ATOM 96 O SER A 10 9.845 5.457 -6.674 1.00 0.00 O ATOM 97 CB SER A 10 9.359 6.136 -9.888 1.00 0.00 C ATOM 98 OG SER A 10 9.704 5.813 -11.232 1.00 0.00 O ATOM 0 H SER A 10 11.946 4.411 -9.250 1.00 0.00 H new ATOM 0 HA SER A 10 11.354 6.556 -9.257 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.515 5.522 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.034 7.175 -9.837 1.00 0.00 H new ATOM 0 HG SER A 10 8.929 5.961 -11.813 1.00 0.00 H new ATOM 104 N GLN A 11 10.121 7.621 -7.268 1.00 0.00 N ATOM 105 CA GLN A 11 9.760 8.142 -5.961 1.00 0.00 C ATOM 106 C GLN A 11 8.988 9.455 -6.107 1.00 0.00 C ATOM 107 O GLN A 11 9.292 10.263 -6.983 1.00 0.00 O ATOM 108 CB GLN A 11 10.999 8.329 -5.084 1.00 0.00 C ATOM 109 CG GLN A 11 11.422 7.005 -4.443 1.00 0.00 C ATOM 110 CD GLN A 11 12.550 6.346 -5.239 1.00 0.00 C ATOM 111 OE1 GLN A 11 13.237 6.974 -6.028 1.00 0.00 O ATOM 112 NE2 GLN A 11 12.703 5.049 -4.988 1.00 0.00 N ATOM 0 H GLN A 11 10.358 8.332 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 11 9.113 7.416 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.818 8.724 -5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.791 9.064 -4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.750 7.181 -3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.566 6.332 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.093 4.584 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.430 4.519 -5.468 1.00 0.00 H new ATOM 121 N GLU A 12 8.006 9.627 -5.235 1.00 0.00 N ATOM 122 CA GLU A 12 7.189 10.829 -5.255 1.00 0.00 C ATOM 123 C GLU A 12 7.000 11.367 -3.836 1.00 0.00 C ATOM 124 O GLU A 12 5.973 11.119 -3.206 1.00 0.00 O ATOM 125 CB GLU A 12 5.839 10.562 -5.925 1.00 0.00 C ATOM 126 CG GLU A 12 5.897 10.878 -7.421 1.00 0.00 C ATOM 127 CD GLU A 12 6.020 9.597 -8.248 1.00 0.00 C ATOM 128 OE1 GLU A 12 7.150 9.064 -8.304 1.00 0.00 O ATOM 129 OE2 GLU A 12 4.983 9.178 -8.804 1.00 0.00 O ATOM 0 H GLU A 12 7.757 8.954 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 12 7.707 11.587 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.557 9.519 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.067 11.169 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.999 11.421 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.746 11.530 -7.626 1.00 0.00 H new ATOM 136 N THR A 13 8.007 12.093 -3.373 1.00 0.00 N ATOM 137 CA THR A 13 7.965 12.668 -2.040 1.00 0.00 C ATOM 138 C THR A 13 7.461 11.635 -1.029 1.00 0.00 C ATOM 139 O THR A 13 7.363 10.450 -1.344 1.00 0.00 O ATOM 140 CB THR A 13 7.104 13.931 -2.097 1.00 0.00 C ATOM 141 OG1 THR A 13 7.215 14.487 -0.789 1.00 0.00 O ATOM 142 CG2 THR A 13 5.613 13.619 -2.243 1.00 0.00 C ATOM 0 H THR A 13 8.858 12.296 -3.898 1.00 0.00 H new ATOM 0 HA THR A 13 8.961 12.951 -1.700 1.00 0.00 H new ATOM 0 HB THR A 13 7.428 14.552 -2.932 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.688 15.311 -0.738 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.048 14.551 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.447 13.059 -3.163 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.280 13.025 -1.392 1.00 0.00 H new ATOM 150 N GLN A 14 7.157 12.122 0.165 1.00 0.00 N ATOM 151 CA GLN A 14 6.666 11.256 1.223 1.00 0.00 C ATOM 152 C GLN A 14 5.360 11.808 1.798 1.00 0.00 C ATOM 153 O GLN A 14 5.063 12.992 1.649 1.00 0.00 O ATOM 154 CB GLN A 14 7.718 11.082 2.321 1.00 0.00 C ATOM 155 CG GLN A 14 7.508 9.768 3.077 1.00 0.00 C ATOM 156 CD GLN A 14 8.818 8.984 3.186 1.00 0.00 C ATOM 157 OE1 GLN A 14 9.243 8.304 2.267 1.00 0.00 O ATOM 158 NE2 GLN A 14 9.431 9.116 4.359 1.00 0.00 N ATOM 0 H GLN A 14 7.241 13.105 0.423 1.00 0.00 H new ATOM 0 HA GLN A 14 6.466 10.273 0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.715 11.097 1.880 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.664 11.919 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.120 9.976 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.760 9.164 2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.020 9.702 5.086 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.312 8.632 4.531 1.00 0.00 H new ATOM 167 N GLY A 15 4.614 10.923 2.444 1.00 0.00 N ATOM 168 CA GLY A 15 3.347 11.307 3.041 1.00 0.00 C ATOM 169 C GLY A 15 2.485 10.078 3.337 1.00 0.00 C ATOM 170 O GLY A 15 1.974 9.926 4.446 1.00 0.00 O ATOM 0 H GLY A 15 4.863 9.942 2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.528 11.859 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.812 11.977 2.368 1.00 0.00 H new ATOM 174 N GLY A 16 2.351 9.231 2.327 1.00 0.00 N ATOM 175 CA GLY A 16 1.561 8.020 2.465 1.00 0.00 C ATOM 176 C GLY A 16 2.408 6.873 3.020 1.00 0.00 C ATOM 177 O GLY A 16 3.626 6.997 3.139 1.00 0.00 O ATOM 0 H GLY A 16 2.777 9.360 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.716 8.206 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.150 7.737 1.496 1.00 0.00 H new ATOM 181 N PRO A 17 1.711 5.753 3.352 1.00 0.00 N ATOM 182 CA PRO A 17 2.386 4.585 3.892 1.00 0.00 C ATOM 183 C PRO A 17 3.140 3.832 2.793 1.00 0.00 C ATOM 184 O PRO A 17 2.581 3.547 1.735 1.00 0.00 O ATOM 185 CB PRO A 17 1.285 3.756 4.532 1.00 0.00 C ATOM 186 CG PRO A 17 -0.018 4.254 3.928 1.00 0.00 C ATOM 187 CD PRO A 17 0.268 5.571 3.225 1.00 0.00 C ATOM 0 HA PRO A 17 3.150 4.841 4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.428 2.694 4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.285 3.877 5.615 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.416 3.524 3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.771 4.391 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.036 5.536 2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.277 6.394 3.688 1.00 0.00 H new ATOM 195 N LEU A 18 4.397 3.530 3.083 1.00 0.00 N ATOM 196 CA LEU A 18 5.233 2.815 2.134 1.00 0.00 C ATOM 197 C LEU A 18 5.084 1.309 2.362 1.00 0.00 C ATOM 198 O LEU A 18 5.416 0.804 3.433 1.00 0.00 O ATOM 199 CB LEU A 18 6.678 3.309 2.215 1.00 0.00 C ATOM 200 CG LEU A 18 6.935 4.721 1.684 1.00 0.00 C ATOM 201 CD1 LEU A 18 8.420 4.931 1.382 1.00 0.00 C ATOM 202 CD2 LEU A 18 6.055 5.019 0.469 1.00 0.00 C ATOM 0 H LEU A 18 4.857 3.768 3.962 1.00 0.00 H new ATOM 0 HA LEU A 18 4.908 3.017 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.996 3.271 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.310 2.614 1.663 1.00 0.00 H new ATOM 0 HG LEU A 18 6.661 5.434 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.575 5.942 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.000 4.790 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.744 4.211 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.258 6.029 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.274 4.303 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.005 4.938 0.751 1.00 0.00 H new ATOM 214 N ALA A 19 4.583 0.634 1.337 1.00 0.00 N ATOM 215 CA ALA A 19 4.386 -0.803 1.413 1.00 0.00 C ATOM 216 C ALA A 19 5.601 -1.446 2.085 1.00 0.00 C ATOM 217 O ALA A 19 6.721 -0.953 1.954 1.00 0.00 O ATOM 218 CB ALA A 19 4.135 -1.358 0.009 1.00 0.00 C ATOM 0 H ALA A 19 4.308 1.056 0.450 1.00 0.00 H new ATOM 0 HA ALA A 19 3.511 -1.039 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.987 -2.436 0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.245 -0.891 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.994 -1.142 -0.626 1.00 0.00 H new ATOM 224 N PRO A 20 5.332 -2.565 2.810 1.00 0.00 N ATOM 225 CA PRO A 20 6.390 -3.280 3.503 1.00 0.00 C ATOM 226 C PRO A 20 7.246 -4.080 2.520 1.00 0.00 C ATOM 227 O PRO A 20 8.439 -4.277 2.747 1.00 0.00 O ATOM 228 CB PRO A 20 5.673 -4.156 4.517 1.00 0.00 C ATOM 229 CG PRO A 20 4.232 -4.250 4.043 1.00 0.00 C ATOM 230 CD PRO A 20 4.019 -3.177 2.988 1.00 0.00 C ATOM 0 HA PRO A 20 7.094 -2.612 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.131 -5.144 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.728 -3.722 5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.030 -5.238 3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.545 -4.107 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.653 -3.606 2.055 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.281 -2.443 3.313 1.00 0.00 H new ATOM 238 N MET A 21 6.604 -4.520 1.448 1.00 0.00 N ATOM 239 CA MET A 21 7.292 -5.295 0.429 1.00 0.00 C ATOM 240 C MET A 21 6.343 -5.666 -0.712 1.00 0.00 C ATOM 241 O MET A 21 5.127 -5.707 -0.524 1.00 0.00 O ATOM 242 CB MET A 21 7.862 -6.569 1.055 1.00 0.00 C ATOM 243 CG MET A 21 8.327 -7.550 -0.025 1.00 0.00 C ATOM 244 SD MET A 21 9.300 -8.852 0.712 1.00 0.00 S ATOM 245 CE MET A 21 8.092 -10.165 0.738 1.00 0.00 C ATOM 0 H MET A 21 5.615 -4.355 1.263 1.00 0.00 H new ATOM 0 HA MET A 21 8.100 -4.688 0.021 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.699 -6.316 1.706 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.104 -7.042 1.679 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.464 -7.975 -0.538 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.917 -7.024 -0.776 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.580 -11.103 1.003 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.322 -9.936 1.474 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.636 -10.259 -0.247 1.00 0.00 H new ATOM 255 N THR A 22 6.933 -5.928 -1.869 1.00 0.00 N ATOM 256 CA THR A 22 6.154 -6.295 -3.040 1.00 0.00 C ATOM 257 C THR A 22 5.316 -7.542 -2.753 1.00 0.00 C ATOM 258 O THR A 22 5.848 -8.648 -2.676 1.00 0.00 O ATOM 259 CB THR A 22 7.120 -6.468 -4.214 1.00 0.00 C ATOM 260 OG1 THR A 22 7.670 -5.168 -4.406 1.00 0.00 O ATOM 261 CG2 THR A 22 6.396 -6.764 -5.529 1.00 0.00 C ATOM 0 H THR A 22 7.941 -5.894 -2.021 1.00 0.00 H new ATOM 0 HA THR A 22 5.439 -5.515 -3.301 1.00 0.00 H new ATOM 0 HB THR A 22 7.818 -7.276 -3.994 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.309 -5.190 -5.149 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.127 -6.878 -6.329 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.821 -7.685 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.723 -5.940 -5.767 1.00 0.00 H new ATOM 269 N GLY A 23 4.018 -7.322 -2.605 1.00 0.00 N ATOM 270 CA GLY A 23 3.100 -8.415 -2.329 1.00 0.00 C ATOM 271 C GLY A 23 1.830 -8.291 -3.173 1.00 0.00 C ATOM 272 O GLY A 23 1.839 -7.651 -4.223 1.00 0.00 O ATOM 0 H GLY A 23 3.580 -6.403 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.589 -9.367 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.839 -8.417 -1.271 1.00 0.00 H new ATOM 276 N THR A 24 0.769 -8.913 -2.682 1.00 0.00 N ATOM 277 CA THR A 24 -0.506 -8.880 -3.378 1.00 0.00 C ATOM 278 C THR A 24 -1.602 -8.337 -2.458 1.00 0.00 C ATOM 279 O THR A 24 -1.730 -8.772 -1.315 1.00 0.00 O ATOM 280 CB THR A 24 -0.795 -10.289 -3.901 1.00 0.00 C ATOM 281 OG1 THR A 24 0.389 -10.646 -4.609 1.00 0.00 O ATOM 282 CG2 THR A 24 -1.888 -10.302 -4.972 1.00 0.00 C ATOM 0 H THR A 24 0.766 -9.443 -1.810 1.00 0.00 H new ATOM 0 HA THR A 24 -0.474 -8.201 -4.230 1.00 0.00 H new ATOM 0 HB THR A 24 -1.091 -10.931 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.289 -11.547 -4.980 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.055 -11.325 -5.309 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.812 -9.903 -4.554 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.577 -9.687 -5.817 1.00 0.00 H new ATOM 290 N ILE A 25 -2.364 -7.394 -2.992 1.00 0.00 N ATOM 291 CA ILE A 25 -3.445 -6.787 -2.234 1.00 0.00 C ATOM 292 C ILE A 25 -4.583 -7.798 -2.078 1.00 0.00 C ATOM 293 O ILE A 25 -5.220 -8.177 -3.059 1.00 0.00 O ATOM 294 CB ILE A 25 -3.878 -5.469 -2.880 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.663 -4.636 -3.293 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.820 -4.691 -1.959 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.672 -4.498 -2.135 1.00 0.00 C ATOM 0 H ILE A 25 -2.254 -7.035 -3.941 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.108 -6.528 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.434 -5.700 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.169 -5.104 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.989 -3.648 -3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.113 -3.759 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.708 -5.290 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.311 -4.470 -1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.818 -3.901 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.162 -4.008 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.330 -5.487 -1.829 1.00 0.00 H new ATOM 309 N GLU A 26 -4.803 -8.205 -0.836 1.00 0.00 N ATOM 310 CA GLU A 26 -5.853 -9.164 -0.539 1.00 0.00 C ATOM 311 C GLU A 26 -7.171 -8.439 -0.261 1.00 0.00 C ATOM 312 O GLU A 26 -8.193 -8.744 -0.874 1.00 0.00 O ATOM 313 CB GLU A 26 -5.461 -10.059 0.639 1.00 0.00 C ATOM 314 CG GLU A 26 -6.521 -11.132 0.889 1.00 0.00 C ATOM 315 CD GLU A 26 -6.708 -12.017 -0.345 1.00 0.00 C ATOM 316 OE1 GLU A 26 -5.748 -12.747 -0.671 1.00 0.00 O ATOM 317 OE2 GLU A 26 -7.808 -11.943 -0.935 1.00 0.00 O ATOM 0 H GLU A 26 -4.272 -7.888 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.990 -9.805 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.500 -10.532 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.335 -9.452 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.228 -11.746 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.468 -10.659 1.148 1.00 0.00 H new ATOM 324 N LYS A 27 -7.106 -7.493 0.665 1.00 0.00 N ATOM 325 CA LYS A 27 -8.281 -6.722 1.031 1.00 0.00 C ATOM 326 C LYS A 27 -7.929 -5.233 1.035 1.00 0.00 C ATOM 327 O LYS A 27 -6.762 -4.868 1.174 1.00 0.00 O ATOM 328 CB LYS A 27 -8.857 -7.221 2.358 1.00 0.00 C ATOM 329 CG LYS A 27 -9.891 -8.324 2.127 1.00 0.00 C ATOM 330 CD LYS A 27 -11.284 -7.732 1.901 1.00 0.00 C ATOM 331 CE LYS A 27 -12.062 -8.542 0.863 1.00 0.00 C ATOM 332 NZ LYS A 27 -11.397 -8.468 -0.457 1.00 0.00 N ATOM 0 H LYS A 27 -6.257 -7.243 1.173 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.072 -6.861 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.052 -7.599 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.319 -6.391 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.602 -8.923 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.912 -8.994 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.834 -7.717 2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.194 -6.698 1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.133 -9.581 1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.081 -8.162 0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.117 -8.430 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.806 -7.613 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.800 -9.309 -0.593 1.00 0.00 H new ATOM 346 N VAL A 28 -8.958 -4.413 0.880 1.00 0.00 N ATOM 347 CA VAL A 28 -8.772 -2.972 0.864 1.00 0.00 C ATOM 348 C VAL A 28 -9.884 -2.309 1.680 1.00 0.00 C ATOM 349 O VAL A 28 -10.991 -2.111 1.180 1.00 0.00 O ATOM 350 CB VAL A 28 -8.708 -2.469 -0.580 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.892 -0.952 -0.640 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.399 -2.890 -1.249 1.00 0.00 C ATOM 0 H VAL A 28 -9.924 -4.719 0.764 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.824 -2.704 1.330 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.528 -2.928 -1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.842 -0.620 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.862 -0.686 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.103 -0.467 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.379 -2.520 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.557 -2.473 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.326 -3.978 -1.254 1.00 0.00 H new ATOM 362 N PHE A 29 -9.551 -1.985 2.920 1.00 0.00 N ATOM 363 CA PHE A 29 -10.508 -1.349 3.810 1.00 0.00 C ATOM 364 C PHE A 29 -10.278 0.162 3.871 1.00 0.00 C ATOM 365 O PHE A 29 -10.169 0.734 4.955 1.00 0.00 O ATOM 366 CB PHE A 29 -10.288 -1.944 5.202 1.00 0.00 C ATOM 367 CG PHE A 29 -10.287 -3.473 5.233 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.333 -4.165 4.706 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.240 -4.142 5.786 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.332 -5.584 4.735 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.239 -5.561 5.815 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.285 -6.253 5.288 1.00 0.00 C ATOM 0 H PHE A 29 -8.632 -2.151 3.330 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.523 -1.521 3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.337 -1.582 5.594 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.068 -1.578 5.870 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.164 -3.635 4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.409 -3.593 6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.163 -6.133 4.318 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.408 -6.091 6.255 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.284 -7.333 5.309 1.00 0.00 H new ATOM 382 N VAL A 30 -10.210 0.767 2.694 1.00 0.00 N ATOM 383 CA VAL A 30 -9.995 2.201 2.601 1.00 0.00 C ATOM 384 C VAL A 30 -10.662 2.730 1.330 1.00 0.00 C ATOM 385 O VAL A 30 -11.331 1.983 0.618 1.00 0.00 O ATOM 386 CB VAL A 30 -8.498 2.511 2.664 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.918 2.134 4.029 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.744 1.806 1.534 1.00 0.00 C ATOM 0 H VAL A 30 -10.300 0.290 1.797 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.455 2.712 3.447 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.372 3.585 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.853 2.364 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.426 2.701 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.062 1.068 4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.682 2.043 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.882 0.728 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.130 2.144 0.572 1.00 0.00 H new ATOM 398 N LYS A 31 -10.456 4.016 1.083 1.00 0.00 N ATOM 399 CA LYS A 31 -11.029 4.654 -0.090 1.00 0.00 C ATOM 400 C LYS A 31 -10.583 6.117 -0.138 1.00 0.00 C ATOM 401 O LYS A 31 -9.655 6.510 0.566 1.00 0.00 O ATOM 402 CB LYS A 31 -12.548 4.473 -0.111 1.00 0.00 C ATOM 403 CG LYS A 31 -13.187 5.058 1.150 1.00 0.00 C ATOM 404 CD LYS A 31 -13.830 6.416 0.859 1.00 0.00 C ATOM 405 CE LYS A 31 -15.277 6.455 1.356 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.198 5.954 0.312 1.00 0.00 N ATOM 0 H LYS A 31 -9.900 4.633 1.675 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.663 4.178 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.964 4.960 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.791 3.413 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.940 4.370 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.431 5.169 1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.254 7.206 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.804 6.612 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.375 5.849 2.257 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.547 7.475 1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.175 5.987 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.117 6.549 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.950 4.973 0.072 1.00 0.00 H new ATOM 420 N ALA A 32 -11.266 6.883 -0.977 1.00 0.00 N ATOM 421 CA ALA A 32 -10.952 8.293 -1.126 1.00 0.00 C ATOM 422 C ALA A 32 -11.933 9.121 -0.292 1.00 0.00 C ATOM 423 O ALA A 32 -13.110 8.779 -0.192 1.00 0.00 O ATOM 424 CB ALA A 32 -10.985 8.670 -2.608 1.00 0.00 C ATOM 0 H ALA A 32 -12.035 6.553 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.948 8.503 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.749 9.728 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.250 8.075 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.979 8.475 -3.011 1.00 0.00 H new ATOM 430 N GLY A 33 -11.411 10.193 0.285 1.00 0.00 N ATOM 431 CA GLY A 33 -12.226 11.072 1.107 1.00 0.00 C ATOM 432 C GLY A 33 -12.751 10.337 2.342 1.00 0.00 C ATOM 433 O GLY A 33 -13.794 10.695 2.885 1.00 0.00 O ATOM 0 H GLY A 33 -10.434 10.473 0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.637 11.936 1.416 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.064 11.450 0.521 1.00 0.00 H new ATOM 437 N ASP A 34 -12.003 9.322 2.749 1.00 0.00 N ATOM 438 CA ASP A 34 -12.379 8.533 3.910 1.00 0.00 C ATOM 439 C ASP A 34 -11.554 8.985 5.117 1.00 0.00 C ATOM 440 O ASP A 34 -10.478 9.559 4.958 1.00 0.00 O ATOM 441 CB ASP A 34 -12.104 7.046 3.678 1.00 0.00 C ATOM 442 CG ASP A 34 -13.291 6.119 3.945 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.414 6.655 4.063 1.00 0.00 O ATOM 444 OD2 ASP A 34 -13.050 4.895 4.025 1.00 0.00 O ATOM 0 H ASP A 34 -11.138 9.028 2.295 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.445 8.679 4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.780 6.909 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.274 6.742 4.316 1.00 0.00 H new ATOM 449 N LYS A 35 -12.091 8.708 6.296 1.00 0.00 N ATOM 450 CA LYS A 35 -11.418 9.078 7.530 1.00 0.00 C ATOM 451 C LYS A 35 -11.035 7.811 8.297 1.00 0.00 C ATOM 452 O LYS A 35 -11.855 6.910 8.464 1.00 0.00 O ATOM 453 CB LYS A 35 -12.279 10.050 8.339 1.00 0.00 C ATOM 454 CG LYS A 35 -12.549 11.332 7.548 1.00 0.00 C ATOM 455 CD LYS A 35 -13.842 11.214 6.738 1.00 0.00 C ATOM 456 CE LYS A 35 -13.998 12.396 5.779 1.00 0.00 C ATOM 457 NZ LYS A 35 -14.924 13.403 6.344 1.00 0.00 N ATOM 0 H LYS A 35 -12.984 8.232 6.423 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.493 9.612 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.224 9.574 8.600 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.776 10.295 9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.620 12.178 8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.713 11.533 6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.838 10.281 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.696 11.174 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.025 12.852 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.375 12.045 4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.019 14.198 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.856 12.969 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.549 13.750 7.250 1.00 0.00 H new ATOM 471 N VAL A 36 -9.788 7.782 8.744 1.00 0.00 N ATOM 472 CA VAL A 36 -9.286 6.641 9.489 1.00 0.00 C ATOM 473 C VAL A 36 -8.570 7.134 10.748 1.00 0.00 C ATOM 474 O VAL A 36 -8.207 8.305 10.841 1.00 0.00 O ATOM 475 CB VAL A 36 -8.393 5.781 8.592 1.00 0.00 C ATOM 476 CG1 VAL A 36 -9.178 5.235 7.399 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.165 6.567 8.127 1.00 0.00 C ATOM 0 H VAL A 36 -9.110 8.531 8.604 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.110 6.004 9.811 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.045 4.932 9.180 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.520 4.627 6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -10.006 4.623 7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.569 6.065 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.547 5.933 7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.486 7.443 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.587 6.885 8.994 1.00 0.00 H new ATOM 487 N LYS A 37 -8.390 6.216 11.686 1.00 0.00 N ATOM 488 CA LYS A 37 -7.725 6.542 12.936 1.00 0.00 C ATOM 489 C LYS A 37 -6.332 5.909 12.948 1.00 0.00 C ATOM 490 O LYS A 37 -6.176 4.739 12.604 1.00 0.00 O ATOM 491 CB LYS A 37 -8.595 6.138 14.128 1.00 0.00 C ATOM 492 CG LYS A 37 -10.078 6.361 13.824 1.00 0.00 C ATOM 493 CD LYS A 37 -10.648 5.205 13.000 1.00 0.00 C ATOM 494 CE LYS A 37 -11.998 4.748 13.556 1.00 0.00 C ATOM 495 NZ LYS A 37 -13.082 5.636 13.080 1.00 0.00 N ATOM 0 H LYS A 37 -8.693 5.246 11.605 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.587 7.620 13.024 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.423 5.089 14.369 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.309 6.718 15.005 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.634 6.456 14.757 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.205 7.297 13.280 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.765 5.517 11.962 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.947 4.370 13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.197 3.722 13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.969 4.751 14.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.991 5.312 13.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.898 6.609 13.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.119 5.612 12.041 1.00 0.00 H new ATOM 509 N ALA A 38 -5.356 6.710 13.349 1.00 0.00 N ATOM 510 CA ALA A 38 -3.982 6.243 13.410 1.00 0.00 C ATOM 511 C ALA A 38 -3.958 4.814 13.956 1.00 0.00 C ATOM 512 O ALA A 38 -4.295 4.583 15.116 1.00 0.00 O ATOM 513 CB ALA A 38 -3.152 7.206 14.262 1.00 0.00 C ATOM 0 H ALA A 38 -5.490 7.680 13.635 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.539 6.224 12.414 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.121 6.855 14.308 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.178 8.200 13.816 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.565 7.249 15.270 1.00 0.00 H new ATOM 519 N GLY A 39 -3.556 3.891 13.094 1.00 0.00 N ATOM 520 CA GLY A 39 -3.484 2.491 13.475 1.00 0.00 C ATOM 521 C GLY A 39 -4.730 1.732 13.014 1.00 0.00 C ATOM 522 O GLY A 39 -5.276 0.918 13.757 1.00 0.00 O ATOM 0 H GLY A 39 -3.277 4.086 12.133 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.595 2.037 13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.384 2.410 14.557 1.00 0.00 H new ATOM 526 N ASP A 40 -5.143 2.026 11.790 1.00 0.00 N ATOM 527 CA ASP A 40 -6.315 1.382 11.221 1.00 0.00 C ATOM 528 C ASP A 40 -5.877 0.431 10.105 1.00 0.00 C ATOM 529 O ASP A 40 -4.927 0.717 9.378 1.00 0.00 O ATOM 530 CB ASP A 40 -7.271 2.412 10.615 1.00 0.00 C ATOM 531 CG ASP A 40 -8.347 2.934 11.569 1.00 0.00 C ATOM 532 OD1 ASP A 40 -8.105 2.859 12.793 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.387 3.397 11.053 1.00 0.00 O ATOM 0 H ASP A 40 -4.687 2.701 11.176 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.825 0.843 12.020 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.687 3.258 10.252 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.760 1.966 9.749 1.00 0.00 H new ATOM 538 N SER A 41 -6.591 -0.681 10.005 1.00 0.00 N ATOM 539 CA SER A 41 -6.287 -1.676 8.990 1.00 0.00 C ATOM 540 C SER A 41 -6.674 -1.148 7.608 1.00 0.00 C ATOM 541 O SER A 41 -7.756 -1.447 7.105 1.00 0.00 O ATOM 542 CB SER A 41 -7.011 -2.993 9.277 1.00 0.00 C ATOM 543 OG SER A 41 -8.320 -2.780 9.800 1.00 0.00 O ATOM 0 H SER A 41 -7.379 -0.915 10.610 1.00 0.00 H new ATOM 0 HA SER A 41 -5.215 -1.870 9.010 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.078 -3.577 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.428 -3.580 9.987 1.00 0.00 H new ATOM 0 HG SER A 41 -8.750 -3.645 9.968 1.00 0.00 H new ATOM 549 N LEU A 42 -5.768 -0.371 7.031 1.00 0.00 N ATOM 550 CA LEU A 42 -6.001 0.202 5.716 1.00 0.00 C ATOM 551 C LEU A 42 -6.345 -0.918 4.731 1.00 0.00 C ATOM 552 O LEU A 42 -7.488 -1.033 4.291 1.00 0.00 O ATOM 553 CB LEU A 42 -4.807 1.056 5.285 1.00 0.00 C ATOM 554 CG LEU A 42 -4.385 2.159 6.258 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.212 2.965 5.697 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.573 3.052 6.622 1.00 0.00 C ATOM 0 H LEU A 42 -4.871 -0.125 7.450 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.855 0.879 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.954 0.397 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.042 1.516 4.325 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.041 1.689 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.932 3.742 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.363 2.303 5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.505 3.425 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.246 3.828 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.970 3.516 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.350 2.450 7.092 1.00 0.00 H new ATOM 568 N MET A 43 -5.334 -1.714 4.414 1.00 0.00 N ATOM 569 CA MET A 43 -5.515 -2.819 3.489 1.00 0.00 C ATOM 570 C MET A 43 -4.744 -4.056 3.954 1.00 0.00 C ATOM 571 O MET A 43 -4.030 -4.006 4.955 1.00 0.00 O ATOM 572 CB MET A 43 -5.028 -2.407 2.098 1.00 0.00 C ATOM 573 CG MET A 43 -5.761 -1.156 1.609 1.00 0.00 C ATOM 574 SD MET A 43 -4.607 0.192 1.420 1.00 0.00 S ATOM 575 CE MET A 43 -4.340 0.127 -0.344 1.00 0.00 C ATOM 0 H MET A 43 -4.388 -1.615 4.781 1.00 0.00 H new ATOM 0 HA MET A 43 -6.576 -3.067 3.453 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.955 -2.217 2.126 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.188 -3.225 1.396 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.253 -1.361 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.541 -0.881 2.319 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.478 0.742 -0.604 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.155 -0.904 -0.646 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.223 0.503 -0.860 1.00 0.00 H new ATOM 585 N VAL A 44 -4.913 -5.136 3.207 1.00 0.00 N ATOM 586 CA VAL A 44 -4.242 -6.384 3.530 1.00 0.00 C ATOM 587 C VAL A 44 -3.463 -6.871 2.307 1.00 0.00 C ATOM 588 O VAL A 44 -3.994 -6.894 1.198 1.00 0.00 O ATOM 589 CB VAL A 44 -5.258 -7.408 4.039 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.599 -8.772 4.258 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.939 -6.917 5.318 1.00 0.00 C ATOM 0 H VAL A 44 -5.506 -5.173 2.378 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.522 -6.233 4.334 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.026 -7.525 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.343 -9.482 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.183 -9.131 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.801 -8.676 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.656 -7.664 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.188 -6.756 6.091 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.459 -5.980 5.117 1.00 0.00 H new ATOM 601 N MET A 45 -2.216 -7.248 2.551 1.00 0.00 N ATOM 602 CA MET A 45 -1.359 -7.733 1.483 1.00 0.00 C ATOM 603 C MET A 45 -0.952 -9.188 1.725 1.00 0.00 C ATOM 604 O MET A 45 -1.124 -9.710 2.825 1.00 0.00 O ATOM 605 CB MET A 45 -0.106 -6.859 1.396 1.00 0.00 C ATOM 606 CG MET A 45 -0.400 -5.550 0.662 1.00 0.00 C ATOM 607 SD MET A 45 0.998 -4.449 0.793 1.00 0.00 S ATOM 608 CE MET A 45 2.186 -5.337 -0.200 1.00 0.00 C ATOM 0 H MET A 45 -1.779 -7.227 3.472 1.00 0.00 H new ATOM 0 HA MET A 45 -1.913 -7.682 0.546 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.261 -6.643 2.399 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.685 -7.401 0.877 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.617 -5.752 -0.387 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.286 -5.077 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.893 -4.633 -0.638 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.724 -6.049 0.426 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.668 -5.872 -0.995 1.00 0.00 H new ATOM 618 N ILE A 46 -0.419 -9.802 0.679 1.00 0.00 N ATOM 619 CA ILE A 46 0.014 -11.186 0.764 1.00 0.00 C ATOM 620 C ILE A 46 1.342 -11.347 0.020 1.00 0.00 C ATOM 621 O ILE A 46 1.376 -11.323 -1.209 1.00 0.00 O ATOM 622 CB ILE A 46 -1.087 -12.124 0.266 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.397 -11.878 1.016 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.643 -13.586 0.352 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.327 -12.435 2.439 1.00 0.00 C ATOM 0 H ILE A 46 -0.277 -9.366 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 46 0.193 -11.466 1.802 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.272 -11.905 -0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.605 -10.809 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.221 -12.346 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.444 -14.231 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.245 -13.733 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.413 -13.836 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.271 -12.247 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.143 -13.509 2.401 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.517 -11.947 2.981 1.00 0.00 H new ATOM 637 N ALA A 47 2.403 -11.508 0.797 1.00 0.00 N ATOM 638 CA ALA A 47 3.730 -11.673 0.228 1.00 0.00 C ATOM 639 C ALA A 47 4.025 -13.164 0.058 1.00 0.00 C ATOM 640 O ALA A 47 3.590 -13.780 -0.914 1.00 0.00 O ATOM 641 CB ALA A 47 4.758 -10.972 1.118 1.00 0.00 C ATOM 0 H ALA A 47 2.371 -11.528 1.816 1.00 0.00 H new ATOM 0 HA ALA A 47 3.785 -11.212 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.753 -11.096 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.520 -9.910 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.734 -11.410 2.116 1.00 0.00 H new ATOM 647 N MET A 48 4.763 -13.702 1.018 1.00 0.00 N ATOM 648 CA MET A 48 5.122 -15.109 0.987 1.00 0.00 C ATOM 649 C MET A 48 4.123 -15.947 1.788 1.00 0.00 C ATOM 650 O MET A 48 4.331 -16.203 2.973 1.00 0.00 O ATOM 651 CB MET A 48 6.524 -15.292 1.570 1.00 0.00 C ATOM 652 CG MET A 48 7.597 -14.936 0.539 1.00 0.00 C ATOM 653 SD MET A 48 8.431 -16.416 -0.010 1.00 0.00 S ATOM 654 CE MET A 48 10.125 -15.855 0.042 1.00 0.00 C ATOM 0 H MET A 48 5.122 -13.188 1.823 1.00 0.00 H new ATOM 0 HA MET A 48 5.103 -15.446 -0.049 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.640 -14.663 2.453 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.655 -16.324 1.895 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.142 -14.428 -0.311 1.00 0.00 H new ATOM 0 HG3 MET A 48 8.317 -14.244 0.975 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.786 -16.663 -0.274 1.00 0.00 H new ATOM 0 HE2 MET A 48 10.247 -15.004 -0.628 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.378 -15.556 1.059 1.00 0.00 H new ATOM 664 N LYS A 49 3.060 -16.352 1.108 1.00 0.00 N ATOM 665 CA LYS A 49 2.028 -17.156 1.742 1.00 0.00 C ATOM 666 C LYS A 49 1.757 -16.615 3.147 1.00 0.00 C ATOM 667 O LYS A 49 1.370 -17.366 4.041 1.00 0.00 O ATOM 668 CB LYS A 49 2.412 -18.636 1.716 1.00 0.00 C ATOM 669 CG LYS A 49 1.236 -19.499 1.253 1.00 0.00 C ATOM 670 CD LYS A 49 0.252 -19.746 2.398 1.00 0.00 C ATOM 671 CE LYS A 49 -0.675 -20.921 2.082 1.00 0.00 C ATOM 672 NZ LYS A 49 -0.135 -22.175 2.653 1.00 0.00 N ATOM 0 H LYS A 49 2.891 -16.139 0.125 1.00 0.00 H new ATOM 0 HA LYS A 49 1.093 -17.083 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.261 -18.784 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.730 -18.951 2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.722 -19.007 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.606 -20.452 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.802 -19.949 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.340 -18.848 2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.668 -20.728 2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.786 -21.024 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.776 -22.963 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.803 -22.366 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.052 -22.079 3.685 1.00 0.00 H new ATOM 686 N MET A 50 1.972 -15.316 3.298 1.00 0.00 N ATOM 687 CA MET A 50 1.755 -14.666 4.580 1.00 0.00 C ATOM 688 C MET A 50 0.861 -13.434 4.426 1.00 0.00 C ATOM 689 O MET A 50 0.854 -12.795 3.375 1.00 0.00 O ATOM 690 CB MET A 50 3.102 -14.249 5.175 1.00 0.00 C ATOM 691 CG MET A 50 3.712 -15.384 6.000 1.00 0.00 C ATOM 692 SD MET A 50 2.715 -15.690 7.448 1.00 0.00 S ATOM 693 CE MET A 50 3.994 -15.782 8.691 1.00 0.00 C ATOM 0 H MET A 50 2.294 -14.696 2.554 1.00 0.00 H new ATOM 0 HA MET A 50 1.257 -15.372 5.245 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.786 -13.968 4.374 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.969 -13.369 5.804 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.778 -16.289 5.396 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.728 -15.124 6.296 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.542 -15.970 9.665 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.681 -16.592 8.447 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.541 -14.840 8.721 1.00 0.00 H new ATOM 703 N GLU A 51 0.128 -13.138 5.489 1.00 0.00 N ATOM 704 CA GLU A 51 -0.768 -11.995 5.485 1.00 0.00 C ATOM 705 C GLU A 51 -0.179 -10.856 6.321 1.00 0.00 C ATOM 706 O GLU A 51 0.388 -11.093 7.386 1.00 0.00 O ATOM 707 CB GLU A 51 -2.158 -12.385 5.993 1.00 0.00 C ATOM 708 CG GLU A 51 -2.869 -11.185 6.622 1.00 0.00 C ATOM 709 CD GLU A 51 -4.267 -11.570 7.109 1.00 0.00 C ATOM 710 OE1 GLU A 51 -4.336 -12.420 8.023 1.00 0.00 O ATOM 711 OE2 GLU A 51 -5.236 -11.006 6.557 1.00 0.00 O ATOM 0 H GLU A 51 0.136 -13.670 6.359 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.877 -11.648 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.755 -12.774 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.069 -13.186 6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.280 -10.806 7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.943 -10.378 5.893 1.00 0.00 H new ATOM 718 N HIS A 52 -0.334 -9.645 5.806 1.00 0.00 N ATOM 719 CA HIS A 52 0.176 -8.470 6.491 1.00 0.00 C ATOM 720 C HIS A 52 -0.905 -7.387 6.525 1.00 0.00 C ATOM 721 O HIS A 52 -1.543 -7.110 5.511 1.00 0.00 O ATOM 722 CB HIS A 52 1.478 -7.988 5.848 1.00 0.00 C ATOM 723 CG HIS A 52 2.139 -9.012 4.957 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.825 -10.107 5.455 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.211 -9.098 3.598 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.286 -10.812 4.432 1.00 0.00 C ATOM 727 NE2 HIS A 52 2.905 -10.185 3.282 1.00 0.00 N ATOM 0 H HIS A 52 -0.806 -9.452 4.922 1.00 0.00 H new ATOM 0 HA HIS A 52 0.421 -8.723 7.522 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.272 -7.091 5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.176 -7.702 6.635 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.954 -10.333 6.441 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.777 -8.400 2.897 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.862 -11.723 4.497 1.00 0.00 H new ATOM 735 N THR A 53 -1.076 -6.804 7.703 1.00 0.00 N ATOM 736 CA THR A 53 -2.069 -5.758 7.882 1.00 0.00 C ATOM 737 C THR A 53 -1.405 -4.381 7.839 1.00 0.00 C ATOM 738 O THR A 53 -0.801 -3.947 8.819 1.00 0.00 O ATOM 739 CB THR A 53 -2.813 -6.033 9.190 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.342 -7.345 9.020 1.00 0.00 O ATOM 741 CG2 THR A 53 -4.052 -5.150 9.355 1.00 0.00 C ATOM 0 H THR A 53 -0.544 -7.036 8.542 1.00 0.00 H new ATOM 0 HA THR A 53 -2.797 -5.759 7.070 1.00 0.00 H new ATOM 0 HB THR A 53 -2.139 -5.874 10.031 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.839 -7.604 9.824 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.543 -5.385 10.299 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.754 -4.101 9.352 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.742 -5.334 8.531 1.00 0.00 H new ATOM 749 N ILE A 54 -1.539 -3.730 6.692 1.00 0.00 N ATOM 750 CA ILE A 54 -0.960 -2.411 6.508 1.00 0.00 C ATOM 751 C ILE A 54 -1.745 -1.393 7.339 1.00 0.00 C ATOM 752 O ILE A 54 -2.767 -0.877 6.890 1.00 0.00 O ATOM 753 CB ILE A 54 -0.884 -2.062 5.020 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.322 -2.734 4.360 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.881 -0.546 4.812 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.041 -4.211 4.080 1.00 0.00 C ATOM 0 H ILE A 54 -2.040 -4.092 5.881 1.00 0.00 H new ATOM 0 HA ILE A 54 0.068 -2.393 6.869 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.777 -2.452 4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.563 -2.223 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.194 -2.642 5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.826 -0.325 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.796 -0.120 5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.019 -0.111 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.914 -4.665 3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.175 -4.724 5.017 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.816 -4.298 3.412 1.00 0.00 H new ATOM 768 N LYS A 55 -1.236 -1.136 8.535 1.00 0.00 N ATOM 769 CA LYS A 55 -1.877 -0.190 9.432 1.00 0.00 C ATOM 770 C LYS A 55 -1.487 1.234 9.028 1.00 0.00 C ATOM 771 O LYS A 55 -0.407 1.454 8.482 1.00 0.00 O ATOM 772 CB LYS A 55 -1.550 -0.527 10.888 1.00 0.00 C ATOM 773 CG LYS A 55 -2.272 -1.801 11.332 1.00 0.00 C ATOM 774 CD LYS A 55 -3.313 -1.494 12.410 1.00 0.00 C ATOM 775 CE LYS A 55 -4.206 -2.708 12.671 1.00 0.00 C ATOM 776 NZ LYS A 55 -5.634 -2.336 12.551 1.00 0.00 N ATOM 0 H LYS A 55 -0.388 -1.566 8.903 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.962 -0.260 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.474 -0.656 11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.841 0.303 11.531 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.758 -2.266 10.474 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.547 -2.519 11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.811 -1.202 13.333 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.925 -0.648 12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.970 -3.500 11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.010 -3.104 13.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.207 -2.959 13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.762 -1.349 12.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.937 -2.438 11.562 1.00 0.00 H new ATOM 790 N SER A 56 -2.388 2.163 9.312 1.00 0.00 N ATOM 791 CA SER A 56 -2.153 3.559 8.985 1.00 0.00 C ATOM 792 C SER A 56 -0.993 4.103 9.821 1.00 0.00 C ATOM 793 O SER A 56 -0.869 3.781 11.002 1.00 0.00 O ATOM 794 CB SER A 56 -3.411 4.398 9.213 1.00 0.00 C ATOM 795 OG SER A 56 -3.624 5.337 8.163 1.00 0.00 O ATOM 0 H SER A 56 -3.282 1.976 9.765 1.00 0.00 H new ATOM 0 HA SER A 56 -1.893 3.624 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.276 3.740 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.326 4.928 10.162 1.00 0.00 H new ATOM 0 HG SER A 56 -3.475 6.245 8.501 1.00 0.00 H new ATOM 801 N PRO A 57 -0.151 4.941 9.159 1.00 0.00 N ATOM 802 CA PRO A 57 0.995 5.533 9.828 1.00 0.00 C ATOM 803 C PRO A 57 0.559 6.659 10.768 1.00 0.00 C ATOM 804 O PRO A 57 1.195 6.898 11.794 1.00 0.00 O ATOM 805 CB PRO A 57 1.901 6.014 8.707 1.00 0.00 C ATOM 806 CG PRO A 57 1.024 6.093 7.468 1.00 0.00 C ATOM 807 CD PRO A 57 -0.266 5.345 7.761 1.00 0.00 C ATOM 0 HA PRO A 57 1.519 4.825 10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.332 6.987 8.943 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.732 5.326 8.554 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.814 7.132 7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.534 5.653 6.611 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.137 5.981 7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.380 4.480 7.107 1.00 0.00 H new ATOM 815 N LYS A 58 -0.523 7.321 10.385 1.00 0.00 N ATOM 816 CA LYS A 58 -1.051 8.416 11.181 1.00 0.00 C ATOM 817 C LYS A 58 -2.504 8.678 10.779 1.00 0.00 C ATOM 818 O LYS A 58 -3.001 8.094 9.817 1.00 0.00 O ATOM 819 CB LYS A 58 -0.150 9.647 11.064 1.00 0.00 C ATOM 820 CG LYS A 58 -0.199 10.231 9.651 1.00 0.00 C ATOM 821 CD LYS A 58 -0.476 11.735 9.688 1.00 0.00 C ATOM 822 CE LYS A 58 -0.194 12.378 8.329 1.00 0.00 C ATOM 823 NZ LYS A 58 -0.577 13.808 8.342 1.00 0.00 N ATOM 0 H LYS A 58 -1.048 7.120 9.534 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.054 8.151 12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.465 10.402 11.784 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.876 9.376 11.314 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.748 10.044 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.975 9.729 9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.515 11.910 9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.144 12.204 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.864 12.281 8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.748 11.854 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.379 14.229 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.592 13.894 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.029 14.307 9.072 1.00 0.00 H new ATOM 837 N ASP A 59 -3.146 9.555 11.538 1.00 0.00 N ATOM 838 CA ASP A 59 -4.532 9.901 11.273 1.00 0.00 C ATOM 839 C ASP A 59 -4.593 10.888 10.106 1.00 0.00 C ATOM 840 O ASP A 59 -4.016 11.972 10.175 1.00 0.00 O ATOM 841 CB ASP A 59 -5.175 10.567 12.491 1.00 0.00 C ATOM 842 CG ASP A 59 -4.266 11.530 13.256 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.913 12.572 12.661 1.00 0.00 O ATOM 844 OD2 ASP A 59 -3.945 11.204 14.419 1.00 0.00 O ATOM 0 H ASP A 59 -2.731 10.036 12.336 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.070 8.983 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.061 11.111 12.163 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.513 9.789 13.176 1.00 0.00 H new ATOM 849 N GLY A 60 -5.297 10.478 9.061 1.00 0.00 N ATOM 850 CA GLY A 60 -5.441 11.313 7.881 1.00 0.00 C ATOM 851 C GLY A 60 -6.620 10.851 7.023 1.00 0.00 C ATOM 852 O GLY A 60 -7.179 9.780 7.255 1.00 0.00 O ATOM 0 H GLY A 60 -5.774 9.578 9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.589 12.350 8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.524 11.279 7.293 1.00 0.00 H new ATOM 856 N THR A 61 -6.963 11.681 6.048 1.00 0.00 N ATOM 857 CA THR A 61 -8.065 11.370 5.154 1.00 0.00 C ATOM 858 C THR A 61 -7.535 10.913 3.793 1.00 0.00 C ATOM 859 O THR A 61 -7.076 11.730 2.996 1.00 0.00 O ATOM 860 CB THR A 61 -8.968 12.602 5.072 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.746 12.542 6.264 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.001 12.497 3.947 1.00 0.00 C ATOM 0 H THR A 61 -6.497 12.568 5.858 1.00 0.00 H new ATOM 0 HA THR A 61 -8.659 10.538 5.532 1.00 0.00 H new ATOM 0 HB THR A 61 -8.356 13.491 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.359 13.306 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.616 13.397 3.933 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.488 12.393 2.991 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.635 11.627 4.116 1.00 0.00 H new ATOM 870 N VAL A 62 -7.615 9.610 3.570 1.00 0.00 N ATOM 871 CA VAL A 62 -7.149 9.035 2.320 1.00 0.00 C ATOM 872 C VAL A 62 -7.645 9.892 1.153 1.00 0.00 C ATOM 873 O VAL A 62 -8.849 10.003 0.927 1.00 0.00 O ATOM 874 CB VAL A 62 -7.593 7.574 2.219 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.120 6.947 0.905 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.099 6.767 3.421 1.00 0.00 C ATOM 0 H VAL A 62 -7.996 8.936 4.234 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.060 9.034 2.283 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.683 7.553 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.449 5.909 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.542 7.499 0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.032 6.986 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.428 5.732 3.325 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.010 6.800 3.458 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.506 7.193 4.338 1.00 0.00 H new ATOM 886 N LYS A 63 -6.691 10.476 0.443 1.00 0.00 N ATOM 887 CA LYS A 63 -7.015 11.320 -0.695 1.00 0.00 C ATOM 888 C LYS A 63 -7.456 10.441 -1.867 1.00 0.00 C ATOM 889 O LYS A 63 -8.552 10.613 -2.398 1.00 0.00 O ATOM 890 CB LYS A 63 -5.843 12.245 -1.027 1.00 0.00 C ATOM 891 CG LYS A 63 -6.138 13.077 -2.277 1.00 0.00 C ATOM 892 CD LYS A 63 -5.719 14.535 -2.077 1.00 0.00 C ATOM 893 CE LYS A 63 -6.040 15.372 -3.316 1.00 0.00 C ATOM 894 NZ LYS A 63 -4.794 15.850 -3.956 1.00 0.00 N ATOM 0 H LYS A 63 -5.693 10.381 0.634 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.851 11.977 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.647 12.907 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.941 11.653 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.608 12.657 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.202 13.029 -2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.234 14.950 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.651 14.585 -1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.615 14.777 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.662 16.223 -3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.030 16.417 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.260 16.435 -3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.215 15.034 -4.241 1.00 0.00 H new ATOM 908 N LYS A 64 -6.580 9.518 -2.236 1.00 0.00 N ATOM 909 CA LYS A 64 -6.865 8.612 -3.335 1.00 0.00 C ATOM 910 C LYS A 64 -6.000 7.358 -3.194 1.00 0.00 C ATOM 911 O LYS A 64 -4.872 7.429 -2.707 1.00 0.00 O ATOM 912 CB LYS A 64 -6.696 9.328 -4.677 1.00 0.00 C ATOM 913 CG LYS A 64 -6.485 8.323 -5.811 1.00 0.00 C ATOM 914 CD LYS A 64 -4.995 8.082 -6.060 1.00 0.00 C ATOM 915 CE LYS A 64 -4.609 8.464 -7.491 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.025 9.823 -7.524 1.00 0.00 N ATOM 0 H LYS A 64 -5.672 9.378 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.905 8.288 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.578 9.935 -4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.846 10.008 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.973 7.381 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.954 8.694 -6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.405 8.665 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.758 7.033 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.892 7.744 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.488 8.424 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.172 10.241 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.486 10.417 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.006 9.768 -7.325 1.00 0.00 H new ATOM 930 N VAL A 65 -6.561 6.239 -3.629 1.00 0.00 N ATOM 931 CA VAL A 65 -5.855 4.971 -3.557 1.00 0.00 C ATOM 932 C VAL A 65 -5.176 4.694 -4.900 1.00 0.00 C ATOM 933 O VAL A 65 -5.703 5.053 -5.952 1.00 0.00 O ATOM 934 CB VAL A 65 -6.817 3.860 -3.132 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.054 2.585 -2.767 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.707 4.318 -1.975 1.00 0.00 C ATOM 0 H VAL A 65 -7.496 6.184 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.072 5.011 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.463 3.633 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.761 1.811 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.484 2.242 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.373 2.792 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.381 3.509 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.085 4.586 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.290 5.185 -2.286 1.00 0.00 H new ATOM 946 N PHE A 66 -4.017 4.057 -4.820 1.00 0.00 N ATOM 947 CA PHE A 66 -3.261 3.727 -6.016 1.00 0.00 C ATOM 948 C PHE A 66 -3.347 2.231 -6.325 1.00 0.00 C ATOM 949 O PHE A 66 -3.209 1.822 -7.476 1.00 0.00 O ATOM 950 CB PHE A 66 -1.802 4.095 -5.739 1.00 0.00 C ATOM 951 CG PHE A 66 -1.535 5.601 -5.709 1.00 0.00 C ATOM 952 CD1 PHE A 66 -1.656 6.336 -6.846 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.176 6.205 -4.544 1.00 0.00 C ATOM 954 CE1 PHE A 66 -1.408 7.734 -6.819 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.928 7.603 -4.516 1.00 0.00 C ATOM 956 CZ PHE A 66 -1.049 8.338 -5.654 1.00 0.00 C ATOM 0 H PHE A 66 -3.583 3.761 -3.946 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.663 4.271 -6.871 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.505 3.665 -4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.172 3.640 -6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.941 5.856 -7.771 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.080 5.621 -3.640 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.504 8.317 -7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.643 8.083 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.860 9.401 -5.633 1.00 0.00 H new ATOM 966 N TYR A 67 -3.576 1.455 -5.275 1.00 0.00 N ATOM 967 CA TYR A 67 -3.682 0.013 -5.419 1.00 0.00 C ATOM 968 C TYR A 67 -5.063 -0.481 -4.983 1.00 0.00 C ATOM 969 O TYR A 67 -5.711 0.139 -4.140 1.00 0.00 O ATOM 970 CB TYR A 67 -2.624 -0.583 -4.489 1.00 0.00 C ATOM 971 CG TYR A 67 -1.185 -0.258 -4.895 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.666 0.997 -4.653 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.406 -1.221 -5.503 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.688 1.303 -5.035 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.949 -0.916 -5.885 1.00 0.00 C ATOM 976 CZ TYR A 67 1.429 0.331 -5.632 1.00 0.00 C ATOM 977 OH TYR A 67 2.708 0.620 -5.993 1.00 0.00 O ATOM 0 H TYR A 67 -3.691 1.798 -4.321 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.537 -0.280 -6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.797 -0.217 -3.477 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.747 -1.666 -4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.276 1.750 -4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.812 -2.204 -5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.106 2.282 -4.852 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.570 -1.661 -6.361 1.00 0.00 H new ATOM 0 HH TYR A 67 3.117 -0.168 -6.407 1.00 0.00 H new ATOM 987 N ARG A 68 -5.474 -1.591 -5.578 1.00 0.00 N ATOM 988 CA ARG A 68 -6.766 -2.175 -5.261 1.00 0.00 C ATOM 989 C ARG A 68 -6.620 -3.675 -4.996 1.00 0.00 C ATOM 990 O ARG A 68 -5.512 -4.208 -5.017 1.00 0.00 O ATOM 991 CB ARG A 68 -7.762 -1.961 -6.403 1.00 0.00 C ATOM 992 CG ARG A 68 -8.038 -0.472 -6.618 1.00 0.00 C ATOM 993 CD ARG A 68 -9.527 -0.220 -6.863 1.00 0.00 C ATOM 994 NE ARG A 68 -9.722 1.118 -7.463 1.00 0.00 N ATOM 995 CZ ARG A 68 -10.872 1.537 -8.009 1.00 0.00 C ATOM 996 NH1 ARG A 68 -11.937 0.724 -8.033 1.00 0.00 N ATOM 997 NH2 ARG A 68 -10.957 2.768 -8.531 1.00 0.00 N ATOM 0 H ARG A 68 -4.935 -2.101 -6.278 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.143 -1.679 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.368 -2.398 -7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.695 -2.479 -6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.709 0.092 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.460 -0.110 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.930 -0.987 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.075 -0.290 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.931 1.762 -7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.872 -0.213 -7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.812 1.042 -8.448 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.146 3.387 -8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.832 3.086 -8.946 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.755 -4.314 -4.752 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.768 -5.741 -4.483 1.00 0.00 C ATOM 1013 C GLU A 69 -7.056 -6.500 -5.605 1.00 0.00 C ATOM 1014 O GLU A 69 -7.140 -6.113 -6.770 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.198 -6.252 -4.297 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.694 -5.988 -2.874 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.177 -6.338 -2.737 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.542 -7.448 -3.182 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.913 -5.488 -2.190 1.00 0.00 O ATOM 0 H GLU A 69 -8.673 -3.869 -4.735 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.230 -5.919 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.859 -5.763 -5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.236 -7.321 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.111 -6.577 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.539 -4.939 -2.620 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.372 -7.565 -5.215 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.646 -8.381 -6.174 1.00 0.00 C ATOM 1028 C GLY A 70 -4.739 -7.517 -7.052 1.00 0.00 C ATOM 1029 O GLY A 70 -4.807 -7.587 -8.279 1.00 0.00 O ATOM 0 H GLY A 70 -6.305 -7.882 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.047 -9.123 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.351 -8.927 -6.800 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.910 -6.724 -6.391 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.989 -5.848 -7.096 1.00 0.00 C ATOM 1035 C ALA A 71 -1.555 -6.183 -6.682 1.00 0.00 C ATOM 1036 O ALA A 71 -1.332 -6.776 -5.628 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.353 -4.389 -6.811 1.00 0.00 C ATOM 0 H ALA A 71 -3.856 -6.669 -5.374 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.064 -5.998 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.662 -3.732 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.370 -4.195 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.286 -4.200 -5.740 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.620 -5.788 -7.533 1.00 0.00 N ATOM 1044 CA GLN A 72 0.787 -6.039 -7.269 1.00 0.00 C ATOM 1045 C GLN A 72 1.427 -4.820 -6.602 1.00 0.00 C ATOM 1046 O GLN A 72 1.584 -3.774 -7.231 1.00 0.00 O ATOM 1047 CB GLN A 72 1.528 -6.413 -8.554 1.00 0.00 C ATOM 1048 CG GLN A 72 3.041 -6.272 -8.376 1.00 0.00 C ATOM 1049 CD GLN A 72 3.776 -7.481 -8.958 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.480 -8.625 -8.656 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.749 -7.165 -9.808 1.00 0.00 N ATOM 0 H GLN A 72 -0.809 -5.296 -8.406 1.00 0.00 H new ATOM 0 HA GLN A 72 0.863 -6.885 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.285 -7.438 -8.833 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.193 -5.773 -9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.385 -5.362 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.279 -6.173 -7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.945 -6.186 -10.017 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.299 -7.901 -10.250 1.00 0.00 H new ATOM 1060 N ALA A 73 1.780 -4.994 -5.337 1.00 0.00 N ATOM 1061 CA ALA A 73 2.400 -3.922 -4.578 1.00 0.00 C ATOM 1062 C ALA A 73 3.911 -3.936 -4.823 1.00 0.00 C ATOM 1063 O ALA A 73 4.453 -4.921 -5.323 1.00 0.00 O ATOM 1064 CB ALA A 73 2.049 -4.075 -3.097 1.00 0.00 C ATOM 0 H ALA A 73 1.648 -5.862 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 73 2.022 -2.953 -4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.514 -3.270 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.967 -4.029 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.415 -5.035 -2.734 1.00 0.00 H new ATOM 1070 N ASN A 74 4.547 -2.833 -4.460 1.00 0.00 N ATOM 1071 CA ASN A 74 5.984 -2.706 -4.634 1.00 0.00 C ATOM 1072 C ASN A 74 6.655 -2.623 -3.261 1.00 0.00 C ATOM 1073 O ASN A 74 5.980 -2.463 -2.246 1.00 0.00 O ATOM 1074 CB ASN A 74 6.335 -1.435 -5.409 1.00 0.00 C ATOM 1075 CG ASN A 74 7.033 -1.772 -6.729 1.00 0.00 C ATOM 1076 OD1 ASN A 74 8.241 -1.926 -6.800 1.00 0.00 O ATOM 1077 ND2 ASN A 74 6.207 -1.877 -7.766 1.00 0.00 N ATOM 0 H ASN A 74 4.094 -2.018 -4.046 1.00 0.00 H new ATOM 0 HA ASN A 74 6.334 -3.576 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.428 -0.864 -5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.983 -0.802 -4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.575 -2.099 -8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.205 -1.736 -7.636 1.00 0.00 H new ATOM 1084 N ARG A 75 7.975 -2.735 -3.275 1.00 0.00 N ATOM 1085 CA ARG A 75 8.744 -2.674 -2.044 1.00 0.00 C ATOM 1086 C ARG A 75 8.963 -1.219 -1.626 1.00 0.00 C ATOM 1087 O ARG A 75 9.847 -0.545 -2.151 1.00 0.00 O ATOM 1088 CB ARG A 75 10.102 -3.360 -2.208 1.00 0.00 C ATOM 1089 CG ARG A 75 10.480 -4.138 -0.946 1.00 0.00 C ATOM 1090 CD ARG A 75 10.399 -3.244 0.293 1.00 0.00 C ATOM 1091 NE ARG A 75 11.543 -3.518 1.191 1.00 0.00 N ATOM 1092 CZ ARG A 75 12.761 -2.978 1.042 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.000 -2.133 0.031 1.00 0.00 N ATOM 1094 NH2 ARG A 75 13.740 -3.285 1.905 1.00 0.00 N ATOM 0 H ARG A 75 8.531 -2.868 -4.119 1.00 0.00 H new ATOM 0 HA ARG A 75 8.177 -3.196 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.070 -4.038 -3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.867 -2.614 -2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.813 -4.992 -0.827 1.00 0.00 H new ATOM 0 HG3 ARG A 75 11.490 -4.534 -1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.403 -2.195 -0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.462 -3.423 0.820 1.00 0.00 H new ATOM 0 HE ARG A 75 11.396 -4.157 1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.255 -1.900 -0.626 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.927 -1.722 -0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.558 -3.929 2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.667 -2.874 1.792 1.00 0.00 H new ATOM 1108 N HIS A 76 8.142 -0.778 -0.684 1.00 0.00 N ATOM 1109 CA HIS A 76 8.235 0.585 -0.189 1.00 0.00 C ATOM 1110 C HIS A 76 7.680 1.551 -1.238 1.00 0.00 C ATOM 1111 O HIS A 76 8.440 2.240 -1.917 1.00 0.00 O ATOM 1112 CB HIS A 76 9.671 0.918 0.221 1.00 0.00 C ATOM 1113 CG HIS A 76 9.846 1.159 1.702 1.00 0.00 C ATOM 1114 ND1 HIS A 76 10.530 2.250 2.208 1.00 0.00 N ATOM 1115 CD2 HIS A 76 9.418 0.439 2.779 1.00 0.00 C ATOM 1116 CE1 HIS A 76 10.510 2.180 3.531 1.00 0.00 C ATOM 1117 NE2 HIS A 76 9.821 1.057 3.883 1.00 0.00 N ATOM 0 H HIS A 76 7.410 -1.340 -0.251 1.00 0.00 H new ATOM 0 HA HIS A 76 7.628 0.691 0.710 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.324 0.100 -0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.997 1.805 -0.322 1.00 0.00 H new ATOM 0 HD2 HIS A 76 8.848 -0.478 2.740 1.00 0.00 H new ATOM 0 HE1 HIS A 76 10.960 2.888 4.211 1.00 0.00 H new ATOM 0 HE2 HIS A 76 9.644 0.743 4.837 1.00 0.00 H new ATOM 1125 N THR A 77 6.359 1.570 -1.339 1.00 0.00 N ATOM 1126 CA THR A 77 5.693 2.439 -2.293 1.00 0.00 C ATOM 1127 C THR A 77 4.440 3.056 -1.669 1.00 0.00 C ATOM 1128 O THR A 77 3.848 2.481 -0.757 1.00 0.00 O ATOM 1129 CB THR A 77 5.404 1.623 -3.555 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.319 2.310 -4.173 1.00 0.00 O ATOM 1131 CG2 THR A 77 4.836 0.238 -3.239 1.00 0.00 C ATOM 0 H THR A 77 5.732 0.997 -0.775 1.00 0.00 H new ATOM 0 HA THR A 77 6.328 3.281 -2.571 1.00 0.00 H new ATOM 0 HB THR A 77 6.320 1.516 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.823 1.689 -4.747 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.649 -0.299 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.552 -0.320 -2.635 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.902 0.345 -2.687 1.00 0.00 H new ATOM 1139 N PRO A 78 4.061 4.250 -2.200 1.00 0.00 N ATOM 1140 CA PRO A 78 2.889 4.951 -1.704 1.00 0.00 C ATOM 1141 C PRO A 78 1.603 4.286 -2.197 1.00 0.00 C ATOM 1142 O PRO A 78 1.138 4.566 -3.301 1.00 0.00 O ATOM 1143 CB PRO A 78 3.046 6.379 -2.200 1.00 0.00 C ATOM 1144 CG PRO A 78 4.053 6.317 -3.337 1.00 0.00 C ATOM 1145 CD PRO A 78 4.737 4.961 -3.281 1.00 0.00 C ATOM 0 HA PRO A 78 2.813 4.927 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.093 6.780 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.398 7.033 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.554 6.453 -4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.786 7.118 -3.242 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.639 4.429 -4.227 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.804 5.063 -3.082 1.00 0.00 H new ATOM 1153 N LEU A 79 1.064 3.416 -1.355 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.159 2.708 -1.691 1.00 0.00 C ATOM 1155 C LEU A 79 -1.338 3.682 -1.641 1.00 0.00 C ATOM 1156 O LEU A 79 -2.031 3.875 -2.638 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.335 1.484 -0.790 1.00 0.00 C ATOM 1158 CG LEU A 79 0.890 0.579 -0.643 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.868 -0.159 0.697 1.00 0.00 C ATOM 1160 CD2 LEU A 79 1.005 -0.385 -1.826 1.00 0.00 C ATOM 0 H LEU A 79 1.452 3.186 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.107 2.321 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.630 1.827 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.159 0.886 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 79 1.781 1.206 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.749 -0.795 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.869 0.565 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.030 -0.774 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.884 -1.017 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.113 -1.010 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.100 0.184 -2.751 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.528 4.271 -0.469 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.610 5.221 -0.276 1.00 0.00 C ATOM 1174 C VAL A 80 -2.024 6.611 -0.025 1.00 0.00 C ATOM 1175 O VAL A 80 -0.940 6.739 0.543 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.528 4.746 0.853 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.616 3.812 0.319 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.723 4.071 1.966 1.00 0.00 C ATOM 0 H VAL A 80 -0.951 4.108 0.356 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.226 5.285 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.018 5.622 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.254 3.489 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.217 4.340 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.153 2.941 -0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.399 3.743 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.193 3.209 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.003 4.780 2.376 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.766 7.619 -0.460 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.333 8.996 -0.290 1.00 0.00 C ATOM 1190 C GLU A 81 -3.219 9.707 0.735 1.00 0.00 C ATOM 1191 O GLU A 81 -4.427 9.479 0.782 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.334 9.740 -1.626 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.341 10.903 -1.607 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.624 11.035 -2.952 1.00 0.00 C ATOM 1195 OE1 GLU A 81 0.346 10.275 -3.156 1.00 0.00 O ATOM 1196 OE2 GLU A 81 -1.064 11.894 -3.747 1.00 0.00 O ATOM 0 H GLU A 81 -3.665 7.510 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.309 8.992 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.077 9.051 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.335 10.116 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.866 11.830 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.609 10.748 -0.814 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.584 10.556 1.530 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.299 11.302 2.551 1.00 0.00 C ATOM 1205 C PHE A 82 -3.540 12.746 2.107 1.00 0.00 C ATOM 1206 O PHE A 82 -2.785 13.284 1.298 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.418 11.306 3.802 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.515 10.027 4.636 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.697 9.678 5.211 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.420 9.238 4.801 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.788 8.491 5.985 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.510 8.050 5.574 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.692 7.702 6.150 1.00 0.00 C ATOM 0 H PHE A 82 -1.582 10.744 1.487 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.269 10.841 2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.380 11.454 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.694 12.156 4.426 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.567 10.304 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.481 9.515 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.727 8.215 6.442 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.640 7.423 5.704 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.761 6.799 6.739 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.593 13.333 2.656 1.00 0.00 N ATOM 1224 CA GLU A 83 -4.942 14.704 2.326 1.00 0.00 C ATOM 1225 C GLU A 83 -3.918 15.671 2.924 1.00 0.00 C ATOM 1226 O GLU A 83 -3.103 15.280 3.758 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.357 15.040 2.804 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.404 14.549 1.803 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.808 15.667 0.840 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.911 16.460 0.482 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -9.006 15.704 0.483 1.00 0.00 O ATOM 0 H GLU A 83 -5.216 12.884 3.327 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.925 14.812 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.535 14.581 3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.453 16.117 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.006 13.705 1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.283 14.189 2.338 1.00 0.00 H new ATOM 1238 N GLU A 84 -3.993 16.915 2.474 1.00 0.00 N ATOM 1239 CA GLU A 84 -3.083 17.941 2.953 1.00 0.00 C ATOM 1240 C GLU A 84 -3.653 18.615 4.203 1.00 0.00 C ATOM 1241 O GLU A 84 -4.540 19.462 4.106 1.00 0.00 O ATOM 1242 CB GLU A 84 -2.791 18.970 1.860 1.00 0.00 C ATOM 1243 CG GLU A 84 -1.407 18.744 1.248 1.00 0.00 C ATOM 1244 CD GLU A 84 -1.197 19.636 0.022 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -0.839 20.815 0.233 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -1.398 19.118 -1.097 1.00 0.00 O ATOM 0 H GLU A 84 -4.671 17.236 1.782 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.139 17.465 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.551 18.905 1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.848 19.975 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.638 18.954 1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.298 17.697 0.964 1.00 0.00 H new ATOM 1253 N GLU A 85 -3.120 18.214 5.348 1.00 0.00 N ATOM 1254 CA GLU A 85 -3.565 18.768 6.615 1.00 0.00 C ATOM 1255 C GLU A 85 -2.883 20.113 6.875 1.00 0.00 C ATOM 1256 O GLU A 85 -1.729 20.310 6.497 1.00 0.00 O ATOM 1257 CB GLU A 85 -3.306 17.790 7.763 1.00 0.00 C ATOM 1258 CG GLU A 85 -4.592 17.070 8.171 1.00 0.00 C ATOM 1259 CD GLU A 85 -4.826 17.177 9.679 1.00 0.00 C ATOM 1260 OE1 GLU A 85 -4.271 16.321 10.402 1.00 0.00 O ATOM 1261 OE2 GLU A 85 -5.554 18.112 10.076 1.00 0.00 O ATOM 0 H GLU A 85 -2.384 17.512 5.424 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.641 18.933 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.556 17.059 7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.899 18.328 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.439 17.500 7.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.533 16.021 7.882 1.00 0.00 H new ATOM 1268 N GLU A 86 -3.625 21.002 7.518 1.00 0.00 N ATOM 1269 CA GLU A 86 -3.105 22.322 7.833 1.00 0.00 C ATOM 1270 C GLU A 86 -3.430 22.688 9.283 1.00 0.00 C ATOM 1271 O GLU A 86 -2.551 23.113 10.031 1.00 0.00 O ATOM 1272 CB GLU A 86 -3.655 23.373 6.866 1.00 0.00 C ATOM 1273 CG GLU A 86 -2.519 24.125 6.170 1.00 0.00 C ATOM 1274 CD GLU A 86 -3.056 25.322 5.382 1.00 0.00 C ATOM 1275 OE1 GLU A 86 -3.834 26.094 5.983 1.00 0.00 O ATOM 1276 OE2 GLU A 86 -2.677 25.437 4.197 1.00 0.00 O ATOM 0 H GLU A 86 -4.582 20.835 7.829 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.021 22.301 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.287 22.891 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.284 24.078 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.797 24.467 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.990 23.450 5.497 1.00 0.00 H new ATOM 1283 N SER A 87 -4.694 22.510 9.636 1.00 0.00 N ATOM 1284 CA SER A 87 -5.145 22.817 10.982 1.00 0.00 C ATOM 1285 C SER A 87 -5.329 21.524 11.779 1.00 0.00 C ATOM 1286 O SER A 87 -6.345 20.844 11.641 1.00 0.00 O ATOM 1287 CB SER A 87 -6.450 23.615 10.958 1.00 0.00 C ATOM 1288 OG SER A 87 -6.407 24.736 11.836 1.00 0.00 O ATOM 0 H SER A 87 -5.420 22.157 9.013 1.00 0.00 H new ATOM 0 HA SER A 87 -4.385 23.430 11.466 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.647 23.958 9.942 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.278 22.965 11.241 1.00 0.00 H new ATOM 0 HG SER A 87 -7.258 25.220 11.790 1.00 0.00 H new ATOM 1294 N ASP A 88 -4.331 21.222 12.596 1.00 0.00 N ATOM 1295 CA ASP A 88 -4.369 20.023 13.415 1.00 0.00 C ATOM 1296 C ASP A 88 -4.892 20.379 14.809 1.00 0.00 C ATOM 1297 O ASP A 88 -4.123 20.786 15.679 1.00 0.00 O ATOM 1298 CB ASP A 88 -2.973 19.419 13.574 1.00 0.00 C ATOM 1299 CG ASP A 88 -2.264 19.076 12.262 1.00 0.00 C ATOM 1300 OD1 ASP A 88 -2.870 19.344 11.203 1.00 0.00 O ATOM 1301 OD2 ASP A 88 -1.132 18.553 12.349 1.00 0.00 O ATOM 0 H ASP A 88 -3.490 21.788 12.708 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.020 19.300 12.924 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.352 20.119 14.133 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.052 18.513 14.175 1.00 0.00 H new ATOM 1306 N LYS A 89 -6.195 20.213 14.978 1.00 0.00 N ATOM 1307 CA LYS A 89 -6.829 20.512 16.251 1.00 0.00 C ATOM 1308 C LYS A 89 -6.675 19.311 17.186 1.00 0.00 C ATOM 1309 O LYS A 89 -7.039 18.191 16.831 1.00 0.00 O ATOM 1310 CB LYS A 89 -8.281 20.943 16.038 1.00 0.00 C ATOM 1311 CG LYS A 89 -8.415 22.466 16.095 1.00 0.00 C ATOM 1312 CD LYS A 89 -9.856 22.901 15.819 1.00 0.00 C ATOM 1313 CE LYS A 89 -10.067 24.369 16.196 1.00 0.00 C ATOM 1314 NZ LYS A 89 -11.365 24.545 16.886 1.00 0.00 N ATOM 0 H LYS A 89 -6.830 19.875 14.254 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.337 21.357 16.733 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.634 20.579 15.073 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.914 20.490 16.801 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.105 22.825 17.076 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.748 22.921 15.363 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.088 22.756 14.764 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.544 22.274 16.386 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.256 24.705 16.842 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.038 24.989 15.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.493 25.547 17.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.136 24.244 16.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.379 23.969 17.752 1.00 0.00 H new ATOM 1328 N ARG A 90 -6.135 19.585 18.365 1.00 0.00 N ATOM 1329 CA ARG A 90 -5.928 18.542 19.354 1.00 0.00 C ATOM 1330 C ARG A 90 -6.247 19.068 20.755 1.00 0.00 C ATOM 1331 O ARG A 90 -6.150 20.268 21.008 1.00 0.00 O ATOM 1332 CB ARG A 90 -4.485 18.032 19.324 1.00 0.00 C ATOM 1333 CG ARG A 90 -3.505 19.137 19.724 1.00 0.00 C ATOM 1334 CD ARG A 90 -2.203 19.029 18.928 1.00 0.00 C ATOM 1335 NE ARG A 90 -1.078 19.571 19.722 1.00 0.00 N ATOM 1336 CZ ARG A 90 0.080 19.990 19.195 1.00 0.00 C ATOM 1337 NH1 ARG A 90 0.273 19.933 17.870 1.00 0.00 N ATOM 1338 NH2 ARG A 90 1.046 20.467 19.993 1.00 0.00 N ATOM 0 H ARG A 90 -5.835 20.515 18.657 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.598 17.717 19.111 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.381 17.185 20.002 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.244 17.671 18.324 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.961 20.112 19.552 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.290 19.069 20.790 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.009 17.987 18.671 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.294 19.577 17.990 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.191 19.629 20.734 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.462 19.571 17.263 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.155 20.252 17.469 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.899 20.511 21.001 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.928 20.786 19.592 1.00 0.00 H new ATOM 1352 N GLU A 91 -6.621 18.144 21.628 1.00 0.00 N ATOM 1353 CA GLU A 91 -6.954 18.500 22.997 1.00 0.00 C ATOM 1354 C GLU A 91 -6.005 17.802 23.973 1.00 0.00 C ATOM 1355 O GLU A 91 -5.772 16.599 23.866 1.00 0.00 O ATOM 1356 CB GLU A 91 -8.412 18.159 23.312 1.00 0.00 C ATOM 1357 CG GLU A 91 -9.113 19.332 24.001 1.00 0.00 C ATOM 1358 CD GLU A 91 -10.252 18.841 24.897 1.00 0.00 C ATOM 1359 OE1 GLU A 91 -11.106 18.095 24.371 1.00 0.00 O ATOM 1360 OE2 GLU A 91 -10.243 19.223 26.087 1.00 0.00 O ATOM 0 H GLU A 91 -6.701 17.150 21.414 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.833 19.577 23.111 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.937 17.907 22.391 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.453 17.279 23.953 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.392 19.892 24.597 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.506 20.017 23.250 1.00 0.00 H new ATOM 1367 N SER A 92 -5.483 18.588 24.904 1.00 0.00 N ATOM 1368 CA SER A 92 -4.564 18.060 25.899 1.00 0.00 C ATOM 1369 C SER A 92 -5.250 16.963 26.715 1.00 0.00 C ATOM 1370 O SER A 92 -4.794 15.821 26.732 1.00 0.00 O ATOM 1371 CB SER A 92 -4.056 19.170 26.822 1.00 0.00 C ATOM 1372 OG SER A 92 -2.636 19.150 26.948 1.00 0.00 O ATOM 0 H SER A 92 -5.679 19.585 24.990 1.00 0.00 H new ATOM 0 HA SER A 92 -3.705 17.634 25.380 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.372 20.138 26.433 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.509 19.059 27.807 1.00 0.00 H new ATOM 0 HG SER A 92 -2.350 19.874 27.543 1.00 0.00 H new ATOM 1378 N GLU A 93 -6.333 17.349 27.372 1.00 0.00 N ATOM 1379 CA GLU A 93 -7.086 16.412 28.189 1.00 0.00 C ATOM 1380 C GLU A 93 -6.210 15.871 29.320 1.00 0.00 C ATOM 1381 O GLU A 93 -5.723 14.743 29.248 1.00 0.00 O ATOM 1382 CB GLU A 93 -7.649 15.272 27.338 1.00 0.00 C ATOM 1383 CG GLU A 93 -8.712 14.486 28.108 1.00 0.00 C ATOM 1384 CD GLU A 93 -8.143 13.167 28.636 1.00 0.00 C ATOM 1385 OE1 GLU A 93 -8.133 12.197 27.847 1.00 0.00 O ATOM 1386 OE2 GLU A 93 -7.731 13.159 29.816 1.00 0.00 O ATOM 0 H GLU A 93 -6.708 18.298 27.356 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.930 16.942 28.631 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.082 15.676 26.423 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.842 14.603 27.040 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.082 15.086 28.940 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.563 14.285 27.457 1.00 0.00 H new ATOM 1393 N SER A 94 -6.036 16.699 30.339 1.00 0.00 N ATOM 1394 CA SER A 94 -5.227 16.318 31.484 1.00 0.00 C ATOM 1395 C SER A 94 -6.126 16.040 32.691 1.00 0.00 C ATOM 1396 O SER A 94 -7.203 16.622 32.815 1.00 0.00 O ATOM 1397 CB SER A 94 -4.205 17.405 31.824 1.00 0.00 C ATOM 1398 OG SER A 94 -2.994 16.858 32.338 1.00 0.00 O ATOM 0 H SER A 94 -6.442 17.633 30.396 1.00 0.00 H new ATOM 0 HA SER A 94 -4.680 15.410 31.228 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.988 17.990 30.931 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.633 18.089 32.557 1.00 0.00 H new ATOM 0 HG SER A 94 -2.367 17.584 32.541 1.00 0.00 H new ATOM 1404 N GLY A 95 -5.651 15.150 33.550 1.00 0.00 N ATOM 1405 CA GLY A 95 -6.398 14.787 34.742 1.00 0.00 C ATOM 1406 C GLY A 95 -5.481 14.719 35.964 1.00 0.00 C ATOM 1407 O GLY A 95 -4.269 14.560 35.828 1.00 0.00 O ATOM 0 H GLY A 95 -4.758 14.669 33.444 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.189 15.517 34.916 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.882 13.822 34.592 1.00 0.00 H new ATOM 1411 N PRO A 96 -6.111 14.846 37.163 1.00 0.00 N ATOM 1412 CA PRO A 96 -5.365 14.800 38.409 1.00 0.00 C ATOM 1413 C PRO A 96 -4.942 13.368 38.743 1.00 0.00 C ATOM 1414 O PRO A 96 -5.503 12.411 38.211 1.00 0.00 O ATOM 1415 CB PRO A 96 -6.296 15.402 39.448 1.00 0.00 C ATOM 1416 CG PRO A 96 -7.691 15.334 38.847 1.00 0.00 C ATOM 1417 CD PRO A 96 -7.544 15.035 37.364 1.00 0.00 C ATOM 0 HA PRO A 96 -4.430 15.359 38.360 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.247 14.847 40.385 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.017 16.432 39.672 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.280 14.559 39.336 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.218 16.277 38.996 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.104 14.143 37.083 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -7.924 15.855 36.755 1.00 0.00 H new ATOM 1425 N SER A 97 -3.957 13.265 39.623 1.00 0.00 N ATOM 1426 CA SER A 97 -3.453 11.966 40.034 1.00 0.00 C ATOM 1427 C SER A 97 -3.458 11.862 41.561 1.00 0.00 C ATOM 1428 O SER A 97 -4.122 10.994 42.125 1.00 0.00 O ATOM 1429 CB SER A 97 -2.043 11.725 39.491 1.00 0.00 C ATOM 1430 OG SER A 97 -1.641 12.744 38.580 1.00 0.00 O ATOM 0 H SER A 97 -3.494 14.060 40.063 1.00 0.00 H new ATOM 0 HA SER A 97 -4.108 11.199 39.621 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.337 11.681 40.321 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.007 10.757 38.991 1.00 0.00 H new ATOM 0 HG SER A 97 -0.735 12.555 38.257 1.00 0.00 H new ATOM 1436 N SER A 98 -2.711 12.760 42.186 1.00 0.00 N ATOM 1437 CA SER A 98 -2.621 12.780 43.636 1.00 0.00 C ATOM 1438 C SER A 98 -4.021 12.878 44.246 1.00 0.00 C ATOM 1439 O SER A 98 -4.901 13.530 43.686 1.00 0.00 O ATOM 1440 CB SER A 98 -1.749 13.941 44.118 1.00 0.00 C ATOM 1441 OG SER A 98 -2.446 15.183 44.079 1.00 0.00 O ATOM 0 H SER A 98 -2.162 13.479 41.715 1.00 0.00 H new ATOM 0 HA SER A 98 -2.154 11.851 43.962 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.414 13.745 45.137 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.856 14.006 43.496 1.00 0.00 H new ATOM 0 HG SER A 98 -1.857 15.899 44.396 1.00 0.00 H new ATOM 1447 N GLY A 99 -4.183 12.221 45.385 1.00 0.00 N ATOM 1448 CA GLY A 99 -5.461 12.227 46.076 1.00 0.00 C ATOM 1449 C GLY A 99 -5.571 11.039 47.034 1.00 0.00 C ATOM 1450 O GLY A 99 -5.203 11.144 48.204 1.00 0.00 O ATOM 0 H GLY A 99 -3.451 11.681 45.846 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.574 13.158 46.631 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.272 12.189 45.349 1.00 0.00 H new TER 1454 GLY A 99