USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 834 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 Single : A 1 GLY N :NH3+ -124:sc= 0.0627 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 179:sc= -2.16 (180deg=-2.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 81:sc= 0.89 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -1.24 (180deg=-1.36) USER MOD Single : A 21 THR OG1 : rot 73:sc= 0.571 USER MOD Single : A 25 TYR OH : rot -174:sc= -0.556 USER MOD Single : A 27 CYS SG : rot 80:sc= 0.726 USER MOD Single : A 29 CYS SG : rot 170:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -107:sc= -0.228 (180deg=-0.93) USER MOD Single : A 37 SER OG : rot -44:sc= 0.854 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -9:sc= 0.91 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -175:sc= -3.82! (180deg=-4.06!) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 57 GLN : amide:sc= -0.0274 K(o=-0.027,f=-1.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -3.43! C(o=-3.4!,f=-7.8!) USER MOD Single : A 70 ASN : amide:sc= -0.0807 K(o=-0.081,f=-1) USER MOD Single : A 71 TYR OH : rot 5:sc= -0.0642 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.23) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.203) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00771) USER MOD Single : A 100 HIS : no HD1:sc= -7! C(o=-7!,f=-5.9!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.05 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.139 31.174 -8.252 1.00 0.00 N ATOM 2 CA GLY A 1 28.023 32.128 -8.897 1.00 0.00 C ATOM 3 C GLY A 1 27.530 33.556 -8.770 1.00 0.00 C ATOM 4 O GLY A 1 26.652 33.845 -7.957 1.00 0.00 O ATOM 0 H1 GLY A 1 27.676 30.619 -7.556 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.371 31.683 -7.770 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.736 30.536 -8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.018 32.050 -8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.119 31.873 -9.952 1.00 0.00 H new ATOM 8 N SER A 2 28.096 34.450 -9.573 1.00 0.00 N ATOM 9 CA SER A 2 27.711 35.856 -9.544 1.00 0.00 C ATOM 10 C SER A 2 26.196 36.003 -9.461 1.00 0.00 C ATOM 11 O SER A 2 25.669 36.614 -8.530 1.00 0.00 O ATOM 12 CB SER A 2 28.240 36.578 -10.785 1.00 0.00 C ATOM 13 OG SER A 2 28.210 37.984 -10.609 1.00 0.00 O ATOM 0 H SER A 2 28.823 34.226 -10.252 1.00 0.00 H new ATOM 0 HA SER A 2 28.151 36.309 -8.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.261 36.256 -10.989 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.640 36.304 -11.652 1.00 0.00 H new ATOM 0 HG SER A 2 28.555 38.422 -11.415 1.00 0.00 H new ATOM 19 N SER A 3 25.498 35.440 -10.443 1.00 0.00 N ATOM 20 CA SER A 3 24.043 35.510 -10.485 1.00 0.00 C ATOM 21 C SER A 3 23.419 34.264 -9.866 1.00 0.00 C ATOM 22 O SER A 3 24.018 33.188 -9.871 1.00 0.00 O ATOM 23 CB SER A 3 23.560 35.672 -11.928 1.00 0.00 C ATOM 24 OG SER A 3 22.248 36.205 -11.971 1.00 0.00 O ATOM 0 H SER A 3 25.918 34.930 -11.220 1.00 0.00 H new ATOM 0 HA SER A 3 23.730 36.378 -9.904 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.240 36.328 -12.471 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.580 34.706 -12.432 1.00 0.00 H new ATOM 0 HG SER A 3 21.964 36.300 -12.904 1.00 0.00 H new ATOM 30 N GLY A 4 22.211 34.416 -9.332 1.00 0.00 N ATOM 31 CA GLY A 4 21.527 33.295 -8.715 1.00 0.00 C ATOM 32 C GLY A 4 20.793 32.436 -9.726 1.00 0.00 C ATOM 33 O GLY A 4 21.079 32.492 -10.922 1.00 0.00 O ATOM 0 H GLY A 4 21.694 35.295 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.251 32.681 -8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.817 33.668 -7.977 1.00 0.00 H new ATOM 37 N SER A 5 19.846 31.638 -9.245 1.00 0.00 N ATOM 38 CA SER A 5 19.072 30.759 -10.115 1.00 0.00 C ATOM 39 C SER A 5 17.984 31.539 -10.845 1.00 0.00 C ATOM 40 O SER A 5 17.187 32.243 -10.227 1.00 0.00 O ATOM 41 CB SER A 5 18.445 29.625 -9.302 1.00 0.00 C ATOM 42 OG SER A 5 19.442 28.808 -8.713 1.00 0.00 O ATOM 0 H SER A 5 19.596 31.581 -8.258 1.00 0.00 H new ATOM 0 HA SER A 5 19.749 30.334 -10.856 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.805 30.042 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.809 29.019 -9.947 1.00 0.00 H new ATOM 0 HG SER A 5 19.016 28.092 -8.197 1.00 0.00 H new ATOM 48 N SER A 6 17.957 31.407 -12.168 1.00 0.00 N ATOM 49 CA SER A 6 16.969 32.102 -12.986 1.00 0.00 C ATOM 50 C SER A 6 15.935 31.125 -13.537 1.00 0.00 C ATOM 51 O SER A 6 16.113 29.909 -13.463 1.00 0.00 O ATOM 52 CB SER A 6 17.656 32.838 -14.138 1.00 0.00 C ATOM 53 OG SER A 6 18.689 33.683 -13.660 1.00 0.00 O ATOM 0 H SER A 6 18.608 30.825 -12.696 1.00 0.00 H new ATOM 0 HA SER A 6 16.457 32.828 -12.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.070 32.115 -14.841 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.922 33.430 -14.685 1.00 0.00 H new ATOM 0 HG SER A 6 19.113 34.141 -14.416 1.00 0.00 H new ATOM 59 N GLY A 7 14.854 31.666 -14.089 1.00 0.00 N ATOM 60 CA GLY A 7 13.807 30.829 -14.645 1.00 0.00 C ATOM 61 C GLY A 7 12.699 30.547 -13.648 1.00 0.00 C ATOM 62 O GLY A 7 11.518 30.653 -13.977 1.00 0.00 O ATOM 0 H GLY A 7 14.684 32.669 -14.161 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.385 31.316 -15.524 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.239 29.886 -14.980 1.00 0.00 H new ATOM 66 N MET A 8 13.080 30.188 -12.427 1.00 0.00 N ATOM 67 CA MET A 8 12.110 29.891 -11.379 1.00 0.00 C ATOM 68 C MET A 8 12.013 31.044 -10.387 1.00 0.00 C ATOM 69 O MET A 8 12.822 31.971 -10.415 1.00 0.00 O ATOM 70 CB MET A 8 12.495 28.603 -10.649 1.00 0.00 C ATOM 71 CG MET A 8 11.338 27.959 -9.903 1.00 0.00 C ATOM 72 SD MET A 8 11.528 26.174 -9.732 1.00 0.00 S ATOM 73 CE MET A 8 10.222 25.803 -8.564 1.00 0.00 C ATOM 0 H MET A 8 14.054 30.096 -12.138 1.00 0.00 H new ATOM 0 HA MET A 8 11.135 29.756 -11.847 1.00 0.00 H new ATOM 0 HB2 MET A 8 12.892 27.890 -11.372 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.296 28.821 -9.943 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.254 28.408 -8.913 1.00 0.00 H new ATOM 0 HG3 MET A 8 10.408 28.173 -10.429 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.201 24.730 -8.371 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.406 26.336 -7.631 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.264 26.116 -8.978 1.00 0.00 H new ATOM 83 N SER A 9 11.017 30.980 -9.508 1.00 0.00 N ATOM 84 CA SER A 9 10.812 32.021 -8.508 1.00 0.00 C ATOM 85 C SER A 9 11.331 31.576 -7.144 1.00 0.00 C ATOM 86 O SER A 9 11.568 30.388 -6.915 1.00 0.00 O ATOM 87 CB SER A 9 9.327 32.377 -8.409 1.00 0.00 C ATOM 88 OG SER A 9 8.985 33.399 -9.329 1.00 0.00 O ATOM 0 H SER A 9 10.340 30.218 -9.469 1.00 0.00 H new ATOM 0 HA SER A 9 11.371 32.903 -8.819 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.724 31.491 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.095 32.703 -7.395 1.00 0.00 H new ATOM 0 HG SER A 9 8.031 33.607 -9.247 1.00 0.00 H new ATOM 94 N VAL A 10 11.507 32.535 -6.243 1.00 0.00 N ATOM 95 CA VAL A 10 11.998 32.243 -4.901 1.00 0.00 C ATOM 96 C VAL A 10 10.943 31.514 -4.077 1.00 0.00 C ATOM 97 O VAL A 10 11.257 30.589 -3.326 1.00 0.00 O ATOM 98 CB VAL A 10 12.411 33.529 -4.162 1.00 0.00 C ATOM 99 CG1 VAL A 10 11.227 34.475 -4.031 1.00 0.00 C ATOM 100 CG2 VAL A 10 12.990 33.196 -2.795 1.00 0.00 C ATOM 0 H VAL A 10 11.317 33.522 -6.417 1.00 0.00 H new ATOM 0 HA VAL A 10 12.872 31.602 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 10 13.183 34.030 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.539 35.378 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.862 34.740 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.431 33.986 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.276 34.117 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.242 32.672 -2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.867 32.561 -2.916 1.00 0.00 H new ATOM 110 N ASP A 11 9.691 31.934 -4.222 1.00 0.00 N ATOM 111 CA ASP A 11 8.588 31.319 -3.492 1.00 0.00 C ATOM 112 C ASP A 11 8.136 30.032 -4.175 1.00 0.00 C ATOM 113 O ASP A 11 7.363 29.258 -3.611 1.00 0.00 O ATOM 114 CB ASP A 11 7.414 32.294 -3.385 1.00 0.00 C ATOM 115 CG ASP A 11 7.864 33.711 -3.089 1.00 0.00 C ATOM 116 OD1 ASP A 11 7.975 34.063 -1.897 1.00 0.00 O ATOM 117 OD2 ASP A 11 8.104 34.469 -4.052 1.00 0.00 O ATOM 0 H ASP A 11 9.414 32.698 -4.839 1.00 0.00 H new ATOM 0 HA ASP A 11 8.939 31.073 -2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.850 32.282 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.738 31.959 -2.599 1.00 0.00 H new ATOM 122 N ALA A 12 8.623 29.809 -5.391 1.00 0.00 N ATOM 123 CA ALA A 12 8.270 28.616 -6.149 1.00 0.00 C ATOM 124 C ALA A 12 8.639 27.350 -5.383 1.00 0.00 C ATOM 125 O ALA A 12 7.867 26.392 -5.338 1.00 0.00 O ATOM 126 CB ALA A 12 8.955 28.632 -7.507 1.00 0.00 C ATOM 0 H ALA A 12 9.264 30.440 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 12 7.190 28.617 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.682 27.735 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.638 29.514 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.036 28.659 -7.369 1.00 0.00 H new ATOM 132 N VAL A 13 9.824 27.352 -4.781 1.00 0.00 N ATOM 133 CA VAL A 13 10.295 26.204 -4.016 1.00 0.00 C ATOM 134 C VAL A 13 9.335 25.867 -2.882 1.00 0.00 C ATOM 135 O VAL A 13 9.203 24.708 -2.490 1.00 0.00 O ATOM 136 CB VAL A 13 11.697 26.457 -3.430 1.00 0.00 C ATOM 137 CG1 VAL A 13 11.700 27.718 -2.579 1.00 0.00 C ATOM 138 CG2 VAL A 13 12.160 25.256 -2.619 1.00 0.00 C ATOM 0 H VAL A 13 10.476 28.136 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 13 10.345 25.363 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 13 12.396 26.601 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.699 27.881 -2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.414 28.572 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.990 27.606 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.152 25.452 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.462 25.078 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.198 24.376 -3.261 1.00 0.00 H new ATOM 148 N GLU A 14 8.666 26.890 -2.357 1.00 0.00 N ATOM 149 CA GLU A 14 7.717 26.703 -1.266 1.00 0.00 C ATOM 150 C GLU A 14 6.491 25.925 -1.738 1.00 0.00 C ATOM 151 O GLU A 14 6.249 24.801 -1.297 1.00 0.00 O ATOM 152 CB GLU A 14 7.287 28.056 -0.695 1.00 0.00 C ATOM 153 CG GLU A 14 6.506 27.948 0.604 1.00 0.00 C ATOM 154 CD GLU A 14 6.650 29.181 1.474 1.00 0.00 C ATOM 155 OE1 GLU A 14 7.800 29.609 1.711 1.00 0.00 O ATOM 156 OE2 GLU A 14 5.615 29.718 1.919 1.00 0.00 O ATOM 0 H GLU A 14 8.764 27.856 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 14 8.212 26.128 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.173 28.668 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.677 28.575 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.452 27.788 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.849 27.074 1.158 1.00 0.00 H new ATOM 163 N ILE A 15 5.724 26.532 -2.637 1.00 0.00 N ATOM 164 CA ILE A 15 4.525 25.897 -3.169 1.00 0.00 C ATOM 165 C ILE A 15 4.822 24.484 -3.660 1.00 0.00 C ATOM 166 O ILE A 15 3.969 23.600 -3.587 1.00 0.00 O ATOM 167 CB ILE A 15 3.921 26.714 -4.327 1.00 0.00 C ATOM 168 CG1 ILE A 15 2.419 26.449 -4.440 1.00 0.00 C ATOM 169 CG2 ILE A 15 4.623 26.377 -5.634 1.00 0.00 C ATOM 170 CD1 ILE A 15 1.712 27.377 -5.403 1.00 0.00 C ATOM 0 H ILE A 15 5.911 27.462 -3.012 1.00 0.00 H new ATOM 0 HA ILE A 15 3.804 25.851 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 15 4.068 27.774 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.263 25.419 -4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.966 26.548 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.186 26.962 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.684 26.612 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.503 25.315 -5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.651 27.131 -5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.837 28.408 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.139 27.261 -6.399 1.00 0.00 H new ATOM 182 N GLU A 16 6.038 24.279 -4.156 1.00 0.00 N ATOM 183 CA GLU A 16 6.448 22.973 -4.658 1.00 0.00 C ATOM 184 C GLU A 16 6.753 22.020 -3.506 1.00 0.00 C ATOM 185 O GLU A 16 6.465 20.824 -3.580 1.00 0.00 O ATOM 186 CB GLU A 16 7.676 23.110 -5.560 1.00 0.00 C ATOM 187 CG GLU A 16 7.471 24.063 -6.725 1.00 0.00 C ATOM 188 CD GLU A 16 6.937 23.368 -7.961 1.00 0.00 C ATOM 189 OE1 GLU A 16 7.444 22.276 -8.293 1.00 0.00 O ATOM 190 OE2 GLU A 16 6.010 23.913 -8.596 1.00 0.00 O ATOM 0 H GLU A 16 6.756 25.000 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 16 5.624 22.561 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.519 23.456 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.943 22.127 -5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.778 24.850 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.418 24.546 -6.965 1.00 0.00 H new ATOM 197 N THR A 17 7.339 22.556 -2.440 1.00 0.00 N ATOM 198 CA THR A 17 7.685 21.756 -1.273 1.00 0.00 C ATOM 199 C THR A 17 6.438 21.333 -0.505 1.00 0.00 C ATOM 200 O THR A 17 6.383 20.240 0.059 1.00 0.00 O ATOM 201 CB THR A 17 8.624 22.523 -0.323 1.00 0.00 C ATOM 202 OG1 THR A 17 9.944 22.577 -0.875 1.00 0.00 O ATOM 203 CG2 THR A 17 8.667 21.861 1.046 1.00 0.00 C ATOM 0 H THR A 17 7.584 23.543 -2.361 1.00 0.00 H new ATOM 0 HA THR A 17 8.199 20.868 -1.641 1.00 0.00 H new ATOM 0 HB THR A 17 8.239 23.536 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.992 23.298 -1.538 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.336 22.420 1.700 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.666 21.850 1.476 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.030 20.838 0.944 1.00 0.00 H new ATOM 211 N LEU A 18 5.436 22.206 -0.489 1.00 0.00 N ATOM 212 CA LEU A 18 4.187 21.923 0.209 1.00 0.00 C ATOM 213 C LEU A 18 3.482 20.715 -0.402 1.00 0.00 C ATOM 214 O LEU A 18 3.045 19.812 0.311 1.00 0.00 O ATOM 215 CB LEU A 18 3.265 23.143 0.162 1.00 0.00 C ATOM 216 CG LEU A 18 3.501 24.204 1.236 1.00 0.00 C ATOM 217 CD1 LEU A 18 2.569 25.389 1.030 1.00 0.00 C ATOM 218 CD2 LEU A 18 3.312 23.609 2.623 1.00 0.00 C ATOM 0 H LEU A 18 5.464 23.115 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 18 4.425 21.695 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.369 23.615 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.234 22.798 0.241 1.00 0.00 H new ATOM 0 HG LEU A 18 4.529 24.558 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.752 26.134 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.753 25.831 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.534 25.052 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.484 24.379 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.296 23.227 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.021 22.794 2.769 1.00 0.00 H new ATOM 230 N ARG A 19 3.379 20.705 -1.727 1.00 0.00 N ATOM 231 CA ARG A 19 2.729 19.609 -2.434 1.00 0.00 C ATOM 232 C ARG A 19 3.359 18.271 -2.060 1.00 0.00 C ATOM 233 O ARG A 19 2.661 17.275 -1.866 1.00 0.00 O ATOM 234 CB ARG A 19 2.822 19.823 -3.946 1.00 0.00 C ATOM 235 CG ARG A 19 1.784 20.791 -4.490 1.00 0.00 C ATOM 236 CD ARG A 19 2.106 21.211 -5.916 1.00 0.00 C ATOM 237 NE ARG A 19 1.351 22.393 -6.321 1.00 0.00 N ATOM 238 CZ ARG A 19 1.302 22.841 -7.570 1.00 0.00 C ATOM 239 NH1 ARG A 19 1.960 22.208 -8.532 1.00 0.00 N ATOM 240 NH2 ARG A 19 0.594 23.924 -7.862 1.00 0.00 N ATOM 0 H ARG A 19 3.737 21.444 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 19 1.680 19.592 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.817 20.195 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.708 18.862 -4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.799 20.324 -4.461 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.738 21.673 -3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.173 21.415 -6.002 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.884 20.388 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 19 0.833 22.903 -5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.506 21.374 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.920 22.555 -9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.086 24.415 -7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.558 24.266 -8.822 1.00 0.00 H new ATOM 254 N LYS A 20 4.684 18.254 -1.959 1.00 0.00 N ATOM 255 CA LYS A 20 5.410 17.040 -1.607 1.00 0.00 C ATOM 256 C LYS A 20 5.110 16.624 -0.171 1.00 0.00 C ATOM 257 O LYS A 20 4.746 15.477 0.092 1.00 0.00 O ATOM 258 CB LYS A 20 6.916 17.252 -1.784 1.00 0.00 C ATOM 259 CG LYS A 20 7.418 16.913 -3.175 1.00 0.00 C ATOM 260 CD LYS A 20 7.210 18.068 -4.140 1.00 0.00 C ATOM 261 CE LYS A 20 8.403 19.012 -4.146 1.00 0.00 C ATOM 262 NZ LYS A 20 8.420 19.878 -5.358 1.00 0.00 N ATOM 0 H LYS A 20 5.277 19.069 -2.116 1.00 0.00 H new ATOM 0 HA LYS A 20 5.081 16.243 -2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.156 18.292 -1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.449 16.641 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.478 16.662 -3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.897 16.030 -3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.048 17.679 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.311 18.618 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.376 19.637 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.325 18.432 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.082 20.666 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.723 19.318 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.466 20.255 -5.529 1.00 0.00 H new ATOM 276 N THR A 21 5.262 17.564 0.758 1.00 0.00 N ATOM 277 CA THR A 21 5.008 17.294 2.167 1.00 0.00 C ATOM 278 C THR A 21 3.662 16.605 2.360 1.00 0.00 C ATOM 279 O THR A 21 3.564 15.598 3.062 1.00 0.00 O ATOM 280 CB THR A 21 5.031 18.590 3.000 1.00 0.00 C ATOM 281 OG1 THR A 21 6.292 19.251 2.843 1.00 0.00 O ATOM 282 CG2 THR A 21 4.791 18.292 4.472 1.00 0.00 C ATOM 0 H THR A 21 5.560 18.519 0.559 1.00 0.00 H new ATOM 0 HA THR A 21 5.805 16.634 2.511 1.00 0.00 H new ATOM 0 HB THR A 21 4.232 19.240 2.642 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.343 19.651 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.812 19.222 5.040 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.818 17.815 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.571 17.625 4.840 1.00 0.00 H new ATOM 290 N VAL A 22 2.625 17.154 1.733 1.00 0.00 N ATOM 291 CA VAL A 22 1.285 16.589 1.835 1.00 0.00 C ATOM 292 C VAL A 22 1.205 15.234 1.144 1.00 0.00 C ATOM 293 O VAL A 22 0.520 14.326 1.613 1.00 0.00 O ATOM 294 CB VAL A 22 0.232 17.531 1.220 1.00 0.00 C ATOM 295 CG1 VAL A 22 -1.139 16.873 1.225 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.200 18.855 1.968 1.00 0.00 C ATOM 0 H VAL A 22 2.688 17.989 1.150 1.00 0.00 H new ATOM 0 HA VAL A 22 1.074 16.463 2.897 1.00 0.00 H new ATOM 0 HB VAL A 22 0.509 17.732 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.870 17.552 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.103 15.953 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.428 16.641 2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.549 19.508 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.052 18.676 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.179 19.331 1.907 1.00 0.00 H new ATOM 306 N GLU A 23 1.911 15.104 0.024 1.00 0.00 N ATOM 307 CA GLU A 23 1.919 13.858 -0.733 1.00 0.00 C ATOM 308 C GLU A 23 2.357 12.690 0.146 1.00 0.00 C ATOM 309 O GLU A 23 1.773 11.608 0.095 1.00 0.00 O ATOM 310 CB GLU A 23 2.848 13.977 -1.944 1.00 0.00 C ATOM 311 CG GLU A 23 2.154 14.489 -3.195 1.00 0.00 C ATOM 312 CD GLU A 23 2.982 14.278 -4.448 1.00 0.00 C ATOM 313 OE1 GLU A 23 2.990 13.144 -4.970 1.00 0.00 O ATOM 314 OE2 GLU A 23 3.623 15.248 -4.906 1.00 0.00 O ATOM 0 H GLU A 23 2.484 15.846 -0.378 1.00 0.00 H new ATOM 0 HA GLU A 23 0.904 13.667 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.671 14.647 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.284 13.000 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.195 13.982 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.941 15.552 -3.079 1.00 0.00 H new ATOM 321 N ASP A 24 3.391 12.918 0.949 1.00 0.00 N ATOM 322 CA ASP A 24 3.908 11.886 1.839 1.00 0.00 C ATOM 323 C ASP A 24 2.880 11.525 2.908 1.00 0.00 C ATOM 324 O ASP A 24 2.592 10.350 3.134 1.00 0.00 O ATOM 325 CB ASP A 24 5.206 12.355 2.500 1.00 0.00 C ATOM 326 CG ASP A 24 6.144 11.207 2.812 1.00 0.00 C ATOM 327 OD1 ASP A 24 5.678 10.195 3.375 1.00 0.00 O ATOM 328 OD2 ASP A 24 7.348 11.321 2.494 1.00 0.00 O ATOM 0 H ASP A 24 3.887 13.808 1.001 1.00 0.00 H new ATOM 0 HA ASP A 24 4.114 10.997 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.710 13.064 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.969 12.888 3.421 1.00 0.00 H new ATOM 333 N TYR A 25 2.334 12.543 3.563 1.00 0.00 N ATOM 334 CA TYR A 25 1.341 12.332 4.611 1.00 0.00 C ATOM 335 C TYR A 25 0.312 11.289 4.185 1.00 0.00 C ATOM 336 O TYR A 25 0.212 10.219 4.785 1.00 0.00 O ATOM 337 CB TYR A 25 0.639 13.649 4.949 1.00 0.00 C ATOM 338 CG TYR A 25 0.055 13.683 6.344 1.00 0.00 C ATOM 339 CD1 TYR A 25 0.877 13.640 7.463 1.00 0.00 C ATOM 340 CD2 TYR A 25 -1.318 13.756 6.541 1.00 0.00 C ATOM 341 CE1 TYR A 25 0.348 13.671 8.739 1.00 0.00 C ATOM 342 CE2 TYR A 25 -1.856 13.789 7.813 1.00 0.00 C ATOM 343 CZ TYR A 25 -1.018 13.745 8.909 1.00 0.00 C ATOM 344 OH TYR A 25 -1.550 13.776 10.177 1.00 0.00 O ATOM 0 H TYR A 25 2.561 13.522 3.388 1.00 0.00 H new ATOM 0 HA TYR A 25 1.858 11.965 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.350 14.468 4.842 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.158 13.822 4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.948 13.581 7.333 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.976 13.787 5.685 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.001 13.637 9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.926 13.849 7.949 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.528 13.733 10.123 1.00 0.00 H new ATOM 354 N PHE A 26 -0.449 11.609 3.144 1.00 0.00 N ATOM 355 CA PHE A 26 -1.472 10.702 2.636 1.00 0.00 C ATOM 356 C PHE A 26 -0.950 9.268 2.588 1.00 0.00 C ATOM 357 O PHE A 26 -1.672 8.323 2.905 1.00 0.00 O ATOM 358 CB PHE A 26 -1.925 11.139 1.243 1.00 0.00 C ATOM 359 CG PHE A 26 -2.699 12.427 1.240 1.00 0.00 C ATOM 360 CD1 PHE A 26 -3.763 12.613 2.107 1.00 0.00 C ATOM 361 CD2 PHE A 26 -2.359 13.452 0.371 1.00 0.00 C ATOM 362 CE1 PHE A 26 -4.476 13.797 2.108 1.00 0.00 C ATOM 363 CE2 PHE A 26 -3.069 14.638 0.368 1.00 0.00 C ATOM 364 CZ PHE A 26 -4.129 14.811 1.236 1.00 0.00 C ATOM 0 H PHE A 26 -0.377 12.490 2.635 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.324 10.738 3.314 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.050 11.249 0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.542 10.353 0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.039 11.823 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.531 13.323 -0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.303 13.929 2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.795 15.430 -0.313 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.685 15.737 1.233 1.00 0.00 H new ATOM 374 N CYS A 27 0.307 9.116 2.188 1.00 0.00 N ATOM 375 CA CYS A 27 0.926 7.799 2.095 1.00 0.00 C ATOM 376 C CYS A 27 1.094 7.179 3.479 1.00 0.00 C ATOM 377 O CYS A 27 0.919 5.973 3.655 1.00 0.00 O ATOM 378 CB CYS A 27 2.285 7.898 1.400 1.00 0.00 C ATOM 379 SG CYS A 27 2.223 8.671 -0.234 1.00 0.00 S ATOM 0 H CYS A 27 0.918 9.889 1.923 1.00 0.00 H new ATOM 0 HA CYS A 27 0.271 7.158 1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.965 8.467 2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.704 6.897 1.301 1.00 0.00 H new ATOM 0 HG CYS A 27 2.174 9.963 -0.101 1.00 0.00 H new ATOM 385 N PHE A 28 1.435 8.011 4.458 1.00 0.00 N ATOM 386 CA PHE A 28 1.629 7.544 5.825 1.00 0.00 C ATOM 387 C PHE A 28 0.319 7.031 6.415 1.00 0.00 C ATOM 388 O PHE A 28 0.231 5.886 6.858 1.00 0.00 O ATOM 389 CB PHE A 28 2.188 8.670 6.697 1.00 0.00 C ATOM 390 CG PHE A 28 1.980 8.451 8.168 1.00 0.00 C ATOM 391 CD1 PHE A 28 2.740 7.520 8.857 1.00 0.00 C ATOM 392 CD2 PHE A 28 1.023 9.173 8.860 1.00 0.00 C ATOM 393 CE1 PHE A 28 2.551 7.315 10.211 1.00 0.00 C ATOM 394 CE2 PHE A 28 0.829 8.973 10.215 1.00 0.00 C ATOM 395 CZ PHE A 28 1.593 8.042 10.890 1.00 0.00 C ATOM 0 H PHE A 28 1.583 9.012 4.329 1.00 0.00 H new ATOM 0 HA PHE A 28 2.344 6.722 5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.255 8.774 6.501 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.717 9.610 6.408 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.489 6.948 8.330 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.421 9.901 8.336 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.151 6.588 10.737 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.081 9.544 10.744 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.442 7.882 11.947 1.00 0.00 H new ATOM 405 N CYS A 29 -0.696 7.888 6.421 1.00 0.00 N ATOM 406 CA CYS A 29 -2.002 7.525 6.958 1.00 0.00 C ATOM 407 C CYS A 29 -2.524 6.250 6.302 1.00 0.00 C ATOM 408 O CYS A 29 -3.103 5.390 6.966 1.00 0.00 O ATOM 409 CB CYS A 29 -2.999 8.665 6.750 1.00 0.00 C ATOM 410 SG CYS A 29 -2.551 10.200 7.592 1.00 0.00 S ATOM 0 H CYS A 29 -0.639 8.840 6.060 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.889 7.343 8.027 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.091 8.863 5.682 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -3.980 8.344 7.100 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.330 11.159 7.189 1.00 0.00 H new ATOM 416 N TYR A 30 -2.317 6.136 4.995 1.00 0.00 N ATOM 417 CA TYR A 30 -2.770 4.969 4.247 1.00 0.00 C ATOM 418 C TYR A 30 -2.022 3.715 4.691 1.00 0.00 C ATOM 419 O TYR A 30 -2.615 2.784 5.233 1.00 0.00 O ATOM 420 CB TYR A 30 -2.573 5.191 2.748 1.00 0.00 C ATOM 421 CG TYR A 30 -3.037 4.029 1.898 1.00 0.00 C ATOM 422 CD1 TYR A 30 -4.230 3.373 2.175 1.00 0.00 C ATOM 423 CD2 TYR A 30 -2.281 3.586 0.819 1.00 0.00 C ATOM 424 CE1 TYR A 30 -4.657 2.310 1.402 1.00 0.00 C ATOM 425 CE2 TYR A 30 -2.701 2.525 0.040 1.00 0.00 C ATOM 426 CZ TYR A 30 -3.889 1.891 0.336 1.00 0.00 C ATOM 427 OH TYR A 30 -4.311 0.832 -0.436 1.00 0.00 O ATOM 0 H TYR A 30 -1.838 6.838 4.431 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.832 4.828 4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.114 6.089 2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.517 5.375 2.552 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.834 3.699 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.349 4.080 0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.587 1.810 1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.102 2.194 -0.796 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.657 0.664 -1.146 1.00 0.00 H new ATOM 437 N GLY A 31 -0.713 3.699 4.453 1.00 0.00 N ATOM 438 CA GLY A 31 0.095 2.556 4.834 1.00 0.00 C ATOM 439 C GLY A 31 0.056 2.288 6.326 1.00 0.00 C ATOM 440 O GLY A 31 0.276 1.161 6.767 1.00 0.00 O ATOM 0 H GLY A 31 -0.199 4.457 4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.256 1.673 4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.127 2.726 4.526 1.00 0.00 H new ATOM 444 N LYS A 32 -0.224 3.328 7.104 1.00 0.00 N ATOM 445 CA LYS A 32 -0.291 3.201 8.556 1.00 0.00 C ATOM 446 C LYS A 32 -1.529 2.416 8.976 1.00 0.00 C ATOM 447 O LYS A 32 -1.465 1.568 9.865 1.00 0.00 O ATOM 448 CB LYS A 32 -0.305 4.585 9.209 1.00 0.00 C ATOM 449 CG LYS A 32 -0.835 4.580 10.633 1.00 0.00 C ATOM 450 CD LYS A 32 -2.341 4.782 10.667 1.00 0.00 C ATOM 451 CE LYS A 32 -2.779 5.489 11.940 1.00 0.00 C ATOM 452 NZ LYS A 32 -4.155 5.094 12.349 1.00 0.00 N ATOM 0 H LYS A 32 -0.408 4.268 6.754 1.00 0.00 H new ATOM 0 HA LYS A 32 0.593 2.658 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.708 4.988 9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.916 5.256 8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.583 3.634 11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.348 5.369 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.651 5.366 9.800 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.841 3.816 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.080 5.256 12.744 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.741 6.568 11.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.416 5.598 13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.826 5.339 11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.186 4.069 12.519 1.00 0.00 H new ATOM 466 N ALA A 33 -2.655 2.703 8.330 1.00 0.00 N ATOM 467 CA ALA A 33 -3.906 2.021 8.636 1.00 0.00 C ATOM 468 C ALA A 33 -3.868 0.570 8.170 1.00 0.00 C ATOM 469 O ALA A 33 -4.500 -0.301 8.768 1.00 0.00 O ATOM 470 CB ALA A 33 -5.075 2.753 7.994 1.00 0.00 C ATOM 0 H ALA A 33 -2.726 3.403 7.592 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.039 2.024 9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.004 2.233 8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.122 3.772 8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.939 2.779 6.913 1.00 0.00 H new ATOM 476 N LEU A 34 -3.124 0.317 7.099 1.00 0.00 N ATOM 477 CA LEU A 34 -3.003 -1.031 6.553 1.00 0.00 C ATOM 478 C LEU A 34 -2.354 -1.972 7.561 1.00 0.00 C ATOM 479 O LEU A 34 -2.696 -3.152 7.635 1.00 0.00 O ATOM 480 CB LEU A 34 -2.185 -1.007 5.261 1.00 0.00 C ATOM 481 CG LEU A 34 -2.975 -0.782 3.970 1.00 0.00 C ATOM 482 CD1 LEU A 34 -2.051 -0.327 2.851 1.00 0.00 C ATOM 483 CD2 LEU A 34 -3.715 -2.050 3.570 1.00 0.00 C ATOM 0 H LEU A 34 -2.596 1.027 6.591 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.006 -1.399 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.433 -0.222 5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.650 -1.953 5.176 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.710 0.003 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.631 -0.172 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.567 0.607 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.293 -1.089 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.271 -1.872 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.998 -2.855 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.407 -2.333 4.363 1.00 0.00 H new ATOM 495 N GLY A 35 -1.416 -1.441 8.341 1.00 0.00 N ATOM 496 CA GLY A 35 -0.735 -2.247 9.337 1.00 0.00 C ATOM 497 C GLY A 35 0.636 -2.702 8.878 1.00 0.00 C ATOM 498 O GLY A 35 1.157 -3.709 9.356 1.00 0.00 O ATOM 0 H GLY A 35 -1.116 -0.467 8.300 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.634 -1.672 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.344 -3.120 9.572 1.00 0.00 H new ATOM 502 N LYS A 36 1.221 -1.959 7.944 1.00 0.00 N ATOM 503 CA LYS A 36 2.540 -2.290 7.417 1.00 0.00 C ATOM 504 C LYS A 36 3.634 -1.570 8.198 1.00 0.00 C ATOM 505 O LYS A 36 3.352 -0.825 9.136 1.00 0.00 O ATOM 506 CB LYS A 36 2.627 -1.920 5.935 1.00 0.00 C ATOM 507 CG LYS A 36 1.454 -2.420 5.112 1.00 0.00 C ATOM 508 CD LYS A 36 1.885 -2.819 3.710 1.00 0.00 C ATOM 509 CE LYS A 36 2.073 -1.602 2.818 1.00 0.00 C ATOM 510 NZ LYS A 36 3.113 -1.831 1.777 1.00 0.00 N ATOM 0 H LYS A 36 0.802 -1.123 7.536 1.00 0.00 H new ATOM 0 HA LYS A 36 2.689 -3.364 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 36 2.688 -0.836 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.550 -2.327 5.521 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.997 -3.275 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.693 -1.642 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.817 -3.382 3.761 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.137 -3.480 3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.127 -1.355 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.354 -0.744 3.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.970 -1.293 2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.342 -2.844 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.755 -1.516 0.853 1.00 0.00 H new ATOM 524 N SER A 37 4.883 -1.797 7.804 1.00 0.00 N ATOM 525 CA SER A 37 6.020 -1.171 8.469 1.00 0.00 C ATOM 526 C SER A 37 6.668 -0.125 7.568 1.00 0.00 C ATOM 527 O SER A 37 7.819 0.263 7.773 1.00 0.00 O ATOM 528 CB SER A 37 7.052 -2.230 8.865 1.00 0.00 C ATOM 529 OG SER A 37 8.103 -1.658 9.625 1.00 0.00 O ATOM 0 H SER A 37 5.133 -2.410 7.028 1.00 0.00 H new ATOM 0 HA SER A 37 5.656 -0.674 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.567 -3.017 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.460 -2.698 7.969 1.00 0.00 H new ATOM 0 HG SER A 37 8.380 -0.812 9.216 1.00 0.00 H new ATOM 535 N THR A 38 5.920 0.330 6.567 1.00 0.00 N ATOM 536 CA THR A 38 6.420 1.331 5.633 1.00 0.00 C ATOM 537 C THR A 38 5.277 2.132 5.023 1.00 0.00 C ATOM 538 O THR A 38 4.121 1.711 5.059 1.00 0.00 O ATOM 539 CB THR A 38 7.239 0.682 4.500 1.00 0.00 C ATOM 540 OG1 THR A 38 6.417 -0.226 3.759 1.00 0.00 O ATOM 541 CG2 THR A 38 8.445 -0.058 5.060 1.00 0.00 C ATOM 0 H THR A 38 4.966 0.021 6.383 1.00 0.00 H new ATOM 0 HA THR A 38 7.066 2.000 6.202 1.00 0.00 H new ATOM 0 HB THR A 38 7.593 1.473 3.838 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.945 -0.633 3.040 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.008 -0.508 4.242 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.084 0.642 5.598 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.108 -0.839 5.741 1.00 0.00 H new ATOM 549 N VAL A 39 5.607 3.292 4.461 1.00 0.00 N ATOM 550 CA VAL A 39 4.607 4.152 3.841 1.00 0.00 C ATOM 551 C VAL A 39 4.159 3.593 2.495 1.00 0.00 C ATOM 552 O VAL A 39 4.954 3.015 1.755 1.00 0.00 O ATOM 553 CB VAL A 39 5.145 5.581 3.636 1.00 0.00 C ATOM 554 CG1 VAL A 39 5.064 6.373 4.933 1.00 0.00 C ATOM 555 CG2 VAL A 39 6.574 5.542 3.115 1.00 0.00 C ATOM 0 H VAL A 39 6.559 3.657 4.423 1.00 0.00 H new ATOM 0 HA VAL A 39 3.755 4.186 4.520 1.00 0.00 H new ATOM 0 HB VAL A 39 4.524 6.081 2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.448 7.380 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.026 6.430 5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.660 5.878 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.938 6.560 2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.209 5.024 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.599 5.014 2.162 1.00 0.00 H new ATOM 565 N VAL A 40 2.879 3.771 2.184 1.00 0.00 N ATOM 566 CA VAL A 40 2.323 3.285 0.927 1.00 0.00 C ATOM 567 C VAL A 40 1.768 4.433 0.091 1.00 0.00 C ATOM 568 O VAL A 40 1.088 5.327 0.594 1.00 0.00 O ATOM 569 CB VAL A 40 1.206 2.253 1.167 1.00 0.00 C ATOM 570 CG1 VAL A 40 0.721 1.672 -0.152 1.00 0.00 C ATOM 571 CG2 VAL A 40 1.690 1.151 2.098 1.00 0.00 C ATOM 0 H VAL A 40 2.208 4.248 2.785 1.00 0.00 H new ATOM 0 HA VAL A 40 3.139 2.806 0.386 1.00 0.00 H new ATOM 0 HB VAL A 40 0.366 2.758 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.068 0.945 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.332 2.473 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.551 1.181 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.888 0.430 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.547 0.647 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.982 1.585 3.054 1.00 0.00 H new ATOM 581 N PRO A 41 2.065 4.410 -1.217 1.00 0.00 N ATOM 582 CA PRO A 41 1.604 5.441 -2.151 1.00 0.00 C ATOM 583 C PRO A 41 0.100 5.377 -2.391 1.00 0.00 C ATOM 584 O PRO A 41 -0.418 4.375 -2.886 1.00 0.00 O ATOM 585 CB PRO A 41 2.365 5.119 -3.440 1.00 0.00 C ATOM 586 CG PRO A 41 2.666 3.662 -3.346 1.00 0.00 C ATOM 587 CD PRO A 41 2.872 3.375 -1.885 1.00 0.00 C ATOM 0 HA PRO A 41 1.788 6.446 -1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.764 5.343 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.279 5.708 -3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.846 3.067 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.556 3.409 -3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.537 2.372 -1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.924 3.443 -1.606 1.00 0.00 H new ATOM 595 N VAL A 42 -0.598 6.452 -2.037 1.00 0.00 N ATOM 596 CA VAL A 42 -2.043 6.518 -2.215 1.00 0.00 C ATOM 597 C VAL A 42 -2.412 6.620 -3.691 1.00 0.00 C ATOM 598 O VAL A 42 -2.149 7.624 -4.354 1.00 0.00 O ATOM 599 CB VAL A 42 -2.647 7.718 -1.463 1.00 0.00 C ATOM 600 CG1 VAL A 42 -4.138 7.830 -1.745 1.00 0.00 C ATOM 601 CG2 VAL A 42 -2.387 7.597 0.031 1.00 0.00 C ATOM 0 H VAL A 42 -0.185 7.289 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.454 5.596 -1.804 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.164 8.628 -1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.547 8.684 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.297 7.967 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.640 6.919 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.821 8.454 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.841 6.680 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.313 7.571 0.212 1.00 0.00 H new ATOM 611 N PRO A 43 -3.035 5.556 -4.220 1.00 0.00 N ATOM 612 CA PRO A 43 -3.453 5.502 -5.624 1.00 0.00 C ATOM 613 C PRO A 43 -4.610 6.450 -5.921 1.00 0.00 C ATOM 614 O PRO A 43 -5.766 6.033 -5.990 1.00 0.00 O ATOM 615 CB PRO A 43 -3.894 4.048 -5.807 1.00 0.00 C ATOM 616 CG PRO A 43 -4.285 3.596 -4.442 1.00 0.00 C ATOM 617 CD PRO A 43 -3.379 4.325 -3.489 1.00 0.00 C ATOM 0 HA PRO A 43 -2.654 5.808 -6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.729 3.972 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.086 3.437 -6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.331 3.826 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.171 2.517 -4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.880 4.544 -2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.492 3.739 -3.250 1.00 0.00 H new ATOM 625 N TYR A 44 -4.290 7.727 -6.097 1.00 0.00 N ATOM 626 CA TYR A 44 -5.303 8.736 -6.386 1.00 0.00 C ATOM 627 C TYR A 44 -6.112 8.358 -7.622 1.00 0.00 C ATOM 628 O TYR A 44 -7.341 8.421 -7.617 1.00 0.00 O ATOM 629 CB TYR A 44 -4.649 10.103 -6.589 1.00 0.00 C ATOM 630 CG TYR A 44 -3.841 10.571 -5.400 1.00 0.00 C ATOM 631 CD1 TYR A 44 -4.465 10.971 -4.225 1.00 0.00 C ATOM 632 CD2 TYR A 44 -2.453 10.611 -5.451 1.00 0.00 C ATOM 633 CE1 TYR A 44 -3.731 11.400 -3.137 1.00 0.00 C ATOM 634 CE2 TYR A 44 -1.710 11.037 -4.367 1.00 0.00 C ATOM 635 CZ TYR A 44 -2.354 11.431 -3.212 1.00 0.00 C ATOM 636 OH TYR A 44 -1.618 11.856 -2.129 1.00 0.00 O ATOM 0 H TYR A 44 -3.338 8.088 -6.045 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.980 8.788 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.000 10.060 -7.464 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.424 10.839 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.543 10.946 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.946 10.304 -6.354 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.232 11.710 -2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.632 11.061 -4.423 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.219 12.230 -1.452 1.00 0.00 H new ATOM 646 N GLU A 45 -5.412 7.964 -8.681 1.00 0.00 N ATOM 647 CA GLU A 45 -6.065 7.575 -9.927 1.00 0.00 C ATOM 648 C GLU A 45 -7.158 6.542 -9.668 1.00 0.00 C ATOM 649 O GLU A 45 -8.271 6.657 -10.182 1.00 0.00 O ATOM 650 CB GLU A 45 -5.038 7.012 -10.912 1.00 0.00 C ATOM 651 CG GLU A 45 -5.662 6.260 -12.076 1.00 0.00 C ATOM 652 CD GLU A 45 -4.770 6.240 -13.303 1.00 0.00 C ATOM 653 OE1 GLU A 45 -3.923 5.328 -13.407 1.00 0.00 O ATOM 654 OE2 GLU A 45 -4.918 7.138 -14.158 1.00 0.00 O ATOM 0 H GLU A 45 -4.394 7.906 -8.702 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.524 8.463 -10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.433 7.831 -11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.363 6.343 -10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.875 5.236 -11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.616 6.721 -12.332 1.00 0.00 H new ATOM 661 N LYS A 46 -6.833 5.533 -8.868 1.00 0.00 N ATOM 662 CA LYS A 46 -7.785 4.479 -8.540 1.00 0.00 C ATOM 663 C LYS A 46 -8.870 4.998 -7.602 1.00 0.00 C ATOM 664 O LYS A 46 -10.060 4.900 -7.901 1.00 0.00 O ATOM 665 CB LYS A 46 -7.063 3.294 -7.894 1.00 0.00 C ATOM 666 CG LYS A 46 -5.911 2.756 -8.725 1.00 0.00 C ATOM 667 CD LYS A 46 -5.106 1.721 -7.958 1.00 0.00 C ATOM 668 CE LYS A 46 -4.465 0.708 -8.894 1.00 0.00 C ATOM 669 NZ LYS A 46 -3.383 -0.063 -8.221 1.00 0.00 N ATOM 0 H LYS A 46 -5.916 5.423 -8.434 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.256 4.149 -9.466 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.685 3.598 -6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.781 2.492 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.299 2.311 -9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.260 3.578 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.332 2.220 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.755 1.205 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.227 0.020 -9.261 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.057 1.224 -9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.972 -0.742 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.643 0.591 -7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.777 -0.576 -7.407 1.00 0.00 H new ATOM 683 N MET A 47 -8.452 5.553 -6.470 1.00 0.00 N ATOM 684 CA MET A 47 -9.388 6.092 -5.491 1.00 0.00 C ATOM 685 C MET A 47 -10.389 7.031 -6.155 1.00 0.00 C ATOM 686 O MET A 47 -11.540 7.134 -5.727 1.00 0.00 O ATOM 687 CB MET A 47 -8.635 6.831 -4.384 1.00 0.00 C ATOM 688 CG MET A 47 -8.039 5.907 -3.332 1.00 0.00 C ATOM 689 SD MET A 47 -7.158 6.802 -2.040 1.00 0.00 S ATOM 690 CE MET A 47 -8.524 7.375 -1.033 1.00 0.00 C ATOM 0 H MET A 47 -7.470 5.641 -6.208 1.00 0.00 H new ATOM 0 HA MET A 47 -9.935 5.257 -5.052 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.836 7.422 -4.831 1.00 0.00 H new ATOM 0 HB3 MET A 47 -9.315 7.531 -3.898 1.00 0.00 H new ATOM 0 HG2 MET A 47 -8.836 5.316 -2.880 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.356 5.207 -3.814 1.00 0.00 H new ATOM 0 HE1 MET A 47 -8.146 8.021 -0.241 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.224 7.934 -1.654 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.034 6.519 -0.591 1.00 0.00 H new ATOM 700 N LEU A 48 -9.944 7.717 -7.203 1.00 0.00 N ATOM 701 CA LEU A 48 -10.801 8.649 -7.927 1.00 0.00 C ATOM 702 C LEU A 48 -11.972 7.920 -8.577 1.00 0.00 C ATOM 703 O LEU A 48 -13.055 8.484 -8.737 1.00 0.00 O ATOM 704 CB LEU A 48 -9.994 9.393 -8.992 1.00 0.00 C ATOM 705 CG LEU A 48 -9.165 10.580 -8.501 1.00 0.00 C ATOM 706 CD1 LEU A 48 -8.238 11.076 -9.600 1.00 0.00 C ATOM 707 CD2 LEU A 48 -10.074 11.701 -8.021 1.00 0.00 C ATOM 0 H LEU A 48 -8.995 7.645 -7.570 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.198 9.369 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.323 8.681 -9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.683 9.749 -9.758 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.553 10.249 -7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.656 11.921 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.563 10.273 -9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.829 11.390 -10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.468 12.538 -7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.711 12.029 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.695 11.340 -7.202 1.00 0.00 H new ATOM 719 N ARG A 49 -11.748 6.664 -8.947 1.00 0.00 N ATOM 720 CA ARG A 49 -12.786 5.857 -9.578 1.00 0.00 C ATOM 721 C ARG A 49 -13.662 5.179 -8.529 1.00 0.00 C ATOM 722 O ARG A 49 -14.877 5.071 -8.697 1.00 0.00 O ATOM 723 CB ARG A 49 -12.157 4.803 -10.491 1.00 0.00 C ATOM 724 CG ARG A 49 -10.847 5.246 -11.121 1.00 0.00 C ATOM 725 CD ARG A 49 -11.016 6.535 -11.909 1.00 0.00 C ATOM 726 NE ARG A 49 -11.642 6.305 -13.208 1.00 0.00 N ATOM 727 CZ ARG A 49 -11.011 5.765 -14.243 1.00 0.00 C ATOM 728 NH1 ARG A 49 -9.741 5.399 -14.132 1.00 0.00 N ATOM 729 NH2 ARG A 49 -11.649 5.587 -15.393 1.00 0.00 N ATOM 0 H ARG A 49 -10.858 6.183 -8.821 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.412 6.519 -10.176 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.984 3.893 -9.916 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.864 4.551 -11.282 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.098 5.390 -10.342 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.475 4.461 -11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.622 7.235 -11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.042 7.002 -12.054 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.619 6.574 -13.326 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.247 5.532 -13.250 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.258 4.984 -14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.626 5.865 -15.483 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.162 5.172 -16.187 1.00 0.00 H new ATOM 743 N ASP A 50 -13.038 4.727 -7.448 1.00 0.00 N ATOM 744 CA ASP A 50 -13.761 4.060 -6.370 1.00 0.00 C ATOM 745 C ASP A 50 -13.341 4.613 -5.012 1.00 0.00 C ATOM 746 O ASP A 50 -12.353 4.168 -4.429 1.00 0.00 O ATOM 747 CB ASP A 50 -13.514 2.552 -6.419 1.00 0.00 C ATOM 748 CG ASP A 50 -14.474 1.838 -7.351 1.00 0.00 C ATOM 749 OD1 ASP A 50 -14.743 2.372 -8.447 1.00 0.00 O ATOM 750 OD2 ASP A 50 -14.958 0.747 -6.983 1.00 0.00 O ATOM 0 H ASP A 50 -12.033 4.810 -7.294 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.826 4.250 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.490 2.365 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.611 2.138 -5.415 1.00 0.00 H new ATOM 755 N GLN A 51 -14.099 5.585 -4.514 1.00 0.00 N ATOM 756 CA GLN A 51 -13.803 6.200 -3.226 1.00 0.00 C ATOM 757 C GLN A 51 -14.391 5.377 -2.083 1.00 0.00 C ATOM 758 O GLN A 51 -14.919 5.927 -1.117 1.00 0.00 O ATOM 759 CB GLN A 51 -14.354 7.626 -3.179 1.00 0.00 C ATOM 760 CG GLN A 51 -13.900 8.493 -4.341 1.00 0.00 C ATOM 761 CD GLN A 51 -14.374 9.927 -4.220 1.00 0.00 C ATOM 762 OE1 GLN A 51 -15.329 10.219 -3.501 1.00 0.00 O ATOM 763 NE2 GLN A 51 -13.706 10.833 -4.925 1.00 0.00 N ATOM 0 H GLN A 51 -14.922 5.963 -4.983 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.720 6.233 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.443 7.585 -3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.046 8.095 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.812 8.478 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.273 8.069 -5.273 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -12.920 10.547 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.979 11.815 -4.883 1.00 0.00 H new ATOM 772 N SER A 52 -14.295 4.056 -2.202 1.00 0.00 N ATOM 773 CA SER A 52 -14.820 3.157 -1.181 1.00 0.00 C ATOM 774 C SER A 52 -13.690 2.405 -0.485 1.00 0.00 C ATOM 775 O SER A 52 -13.526 2.497 0.731 1.00 0.00 O ATOM 776 CB SER A 52 -15.802 2.163 -1.804 1.00 0.00 C ATOM 777 OG SER A 52 -15.237 1.532 -2.941 1.00 0.00 O ATOM 0 H SER A 52 -13.859 3.585 -2.995 1.00 0.00 H new ATOM 0 HA SER A 52 -15.344 3.758 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.079 1.410 -1.066 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.717 2.682 -2.089 1.00 0.00 H new ATOM 0 HG SER A 52 -15.884 0.900 -3.320 1.00 0.00 H new ATOM 783 N ALA A 53 -12.912 1.663 -1.266 1.00 0.00 N ATOM 784 CA ALA A 53 -11.796 0.896 -0.727 1.00 0.00 C ATOM 785 C ALA A 53 -11.165 1.610 0.464 1.00 0.00 C ATOM 786 O ALA A 53 -10.724 0.973 1.420 1.00 0.00 O ATOM 787 CB ALA A 53 -10.756 0.647 -1.808 1.00 0.00 C ATOM 0 H ALA A 53 -13.034 1.577 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.180 -0.064 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.928 0.073 -1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.209 0.088 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.384 1.601 -2.182 1.00 0.00 H new ATOM 793 N VAL A 54 -11.124 2.938 0.398 1.00 0.00 N ATOM 794 CA VAL A 54 -10.546 3.738 1.471 1.00 0.00 C ATOM 795 C VAL A 54 -11.240 5.091 1.582 1.00 0.00 C ATOM 796 O VAL A 54 -11.621 5.690 0.576 1.00 0.00 O ATOM 797 CB VAL A 54 -9.038 3.964 1.254 1.00 0.00 C ATOM 798 CG1 VAL A 54 -8.410 4.602 2.484 1.00 0.00 C ATOM 799 CG2 VAL A 54 -8.347 2.651 0.914 1.00 0.00 C ATOM 0 H VAL A 54 -11.484 3.481 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.693 3.180 2.396 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.908 4.646 0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.345 4.754 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.886 5.563 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.548 3.947 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.282 2.829 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.485 1.945 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.778 2.238 0.002 1.00 0.00 H new ATOM 809 N VAL A 55 -11.401 5.569 2.811 1.00 0.00 N ATOM 810 CA VAL A 55 -12.048 6.853 3.055 1.00 0.00 C ATOM 811 C VAL A 55 -11.092 7.831 3.726 1.00 0.00 C ATOM 812 O VAL A 55 -10.321 7.456 4.609 1.00 0.00 O ATOM 813 CB VAL A 55 -13.302 6.692 3.934 1.00 0.00 C ATOM 814 CG1 VAL A 55 -13.972 8.039 4.160 1.00 0.00 C ATOM 815 CG2 VAL A 55 -14.272 5.703 3.303 1.00 0.00 C ATOM 0 H VAL A 55 -11.092 5.086 3.655 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.344 7.248 2.083 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.997 6.298 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.856 7.906 4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.275 8.713 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.265 8.465 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.152 5.602 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.573 6.065 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.786 4.733 3.199 1.00 0.00 H new ATOM 825 N VAL A 56 -11.148 9.090 3.303 1.00 0.00 N ATOM 826 CA VAL A 56 -10.288 10.125 3.864 1.00 0.00 C ATOM 827 C VAL A 56 -11.088 11.101 4.719 1.00 0.00 C ATOM 828 O VAL A 56 -12.074 11.678 4.261 1.00 0.00 O ATOM 829 CB VAL A 56 -9.557 10.909 2.758 1.00 0.00 C ATOM 830 CG1 VAL A 56 -8.534 11.858 3.363 1.00 0.00 C ATOM 831 CG2 VAL A 56 -8.896 9.953 1.776 1.00 0.00 C ATOM 0 H VAL A 56 -11.781 9.418 2.573 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.551 9.619 4.488 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.290 11.504 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.028 12.403 2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.038 12.564 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.802 11.288 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.384 10.524 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.174 9.330 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.655 9.319 1.318 1.00 0.00 H new ATOM 841 N GLN A 57 -10.657 11.281 5.963 1.00 0.00 N ATOM 842 CA GLN A 57 -11.334 12.188 6.883 1.00 0.00 C ATOM 843 C GLN A 57 -10.393 13.292 7.350 1.00 0.00 C ATOM 844 O GLN A 57 -9.173 13.149 7.288 1.00 0.00 O ATOM 845 CB GLN A 57 -11.873 11.416 8.089 1.00 0.00 C ATOM 846 CG GLN A 57 -13.113 10.592 7.779 1.00 0.00 C ATOM 847 CD GLN A 57 -13.901 10.233 9.024 1.00 0.00 C ATOM 848 OE1 GLN A 57 -13.554 10.643 10.132 1.00 0.00 O ATOM 849 NE2 GLN A 57 -14.967 9.463 8.848 1.00 0.00 N ATOM 0 H GLN A 57 -9.842 10.811 6.357 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.168 12.648 6.353 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.092 10.755 8.465 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.106 12.121 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.754 11.150 7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.818 9.678 7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.218 9.146 7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.535 9.188 9.649 1.00 0.00 H new ATOM 858 N GLY A 58 -10.969 14.395 7.819 1.00 0.00 N ATOM 859 CA GLY A 58 -10.166 15.508 8.290 1.00 0.00 C ATOM 860 C GLY A 58 -9.951 16.562 7.221 1.00 0.00 C ATOM 861 O GLY A 58 -9.076 17.418 7.350 1.00 0.00 O ATOM 0 H GLY A 58 -11.977 14.537 7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.653 15.964 9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.199 15.136 8.629 1.00 0.00 H new ATOM 865 N LEU A 59 -10.749 16.497 6.162 1.00 0.00 N ATOM 866 CA LEU A 59 -10.642 17.452 5.064 1.00 0.00 C ATOM 867 C LEU A 59 -11.482 18.695 5.339 1.00 0.00 C ATOM 868 O LEU A 59 -12.467 18.658 6.077 1.00 0.00 O ATOM 869 CB LEU A 59 -11.086 16.803 3.751 1.00 0.00 C ATOM 870 CG LEU A 59 -10.056 15.907 3.064 1.00 0.00 C ATOM 871 CD1 LEU A 59 -10.485 15.597 1.638 1.00 0.00 C ATOM 872 CD2 LEU A 59 -8.683 16.565 3.078 1.00 0.00 C ATOM 0 H LEU A 59 -11.477 15.793 6.040 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.598 17.753 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.980 16.211 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.371 17.593 3.057 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.994 14.969 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.740 14.958 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.447 15.084 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.576 16.526 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.962 15.913 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.731 17.518 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.372 16.736 4.109 1.00 0.00 H new ATOM 884 N PRO A 60 -11.086 19.824 4.731 1.00 0.00 N ATOM 885 CA PRO A 60 -11.790 21.099 4.893 1.00 0.00 C ATOM 886 C PRO A 60 -13.157 21.097 4.217 1.00 0.00 C ATOM 887 O PRO A 60 -13.650 20.050 3.798 1.00 0.00 O ATOM 888 CB PRO A 60 -10.859 22.107 4.215 1.00 0.00 C ATOM 889 CG PRO A 60 -10.088 21.304 3.225 1.00 0.00 C ATOM 890 CD PRO A 60 -9.922 19.940 3.838 1.00 0.00 C ATOM 0 HA PRO A 60 -11.992 21.323 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.424 22.901 3.727 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.198 22.584 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.618 21.243 2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.120 21.761 3.021 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.917 19.157 3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.984 19.858 4.387 1.00 0.00 H new ATOM 898 N GLU A 61 -13.762 22.275 4.112 1.00 0.00 N ATOM 899 CA GLU A 61 -15.072 22.409 3.485 1.00 0.00 C ATOM 900 C GLU A 61 -14.937 22.594 1.976 1.00 0.00 C ATOM 901 O GLU A 61 -13.858 22.898 1.472 1.00 0.00 O ATOM 902 CB GLU A 61 -15.834 23.589 4.090 1.00 0.00 C ATOM 903 CG GLU A 61 -17.343 23.461 3.979 1.00 0.00 C ATOM 904 CD GLU A 61 -17.885 24.033 2.683 1.00 0.00 C ATOM 905 OE1 GLU A 61 -17.461 25.144 2.302 1.00 0.00 O ATOM 906 OE2 GLU A 61 -18.732 23.368 2.050 1.00 0.00 O ATOM 0 H GLU A 61 -13.366 23.151 4.453 1.00 0.00 H new ATOM 0 HA GLU A 61 -15.631 21.492 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -15.563 23.685 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.518 24.507 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -17.621 22.409 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.810 23.973 4.821 1.00 0.00 H new ATOM 913 N GLY A 62 -16.043 22.407 1.262 1.00 0.00 N ATOM 914 CA GLY A 62 -16.028 22.558 -0.181 1.00 0.00 C ATOM 915 C GLY A 62 -14.804 21.928 -0.816 1.00 0.00 C ATOM 916 O GLY A 62 -14.341 22.376 -1.866 1.00 0.00 O ATOM 0 H GLY A 62 -16.949 22.154 1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -16.926 22.104 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -16.060 23.618 -0.433 1.00 0.00 H new ATOM 920 N VAL A 63 -14.278 20.887 -0.180 1.00 0.00 N ATOM 921 CA VAL A 63 -13.099 20.195 -0.688 1.00 0.00 C ATOM 922 C VAL A 63 -13.417 18.742 -1.021 1.00 0.00 C ATOM 923 O VAL A 63 -14.362 18.164 -0.484 1.00 0.00 O ATOM 924 CB VAL A 63 -11.941 20.239 0.326 1.00 0.00 C ATOM 925 CG1 VAL A 63 -12.159 19.214 1.428 1.00 0.00 C ATOM 926 CG2 VAL A 63 -10.611 20.006 -0.375 1.00 0.00 C ATOM 0 H VAL A 63 -14.650 20.504 0.689 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.794 20.714 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.917 21.229 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.331 19.259 2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.092 19.431 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.210 18.216 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.803 20.040 0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.621 19.029 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -10.454 20.781 -1.125 1.00 0.00 H new ATOM 936 N ALA A 64 -12.619 18.155 -1.907 1.00 0.00 N ATOM 937 CA ALA A 64 -12.813 16.767 -2.309 1.00 0.00 C ATOM 938 C ALA A 64 -11.478 16.040 -2.431 1.00 0.00 C ATOM 939 O ALA A 64 -10.630 16.410 -3.244 1.00 0.00 O ATOM 940 CB ALA A 64 -13.576 16.700 -3.623 1.00 0.00 C ATOM 0 H ALA A 64 -11.832 18.619 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.399 16.269 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.714 15.658 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.550 17.175 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.012 17.219 -4.398 1.00 0.00 H new ATOM 946 N PHE A 65 -11.297 15.004 -1.618 1.00 0.00 N ATOM 947 CA PHE A 65 -10.064 14.226 -1.636 1.00 0.00 C ATOM 948 C PHE A 65 -9.494 14.141 -3.048 1.00 0.00 C ATOM 949 O PHE A 65 -10.120 13.586 -3.951 1.00 0.00 O ATOM 950 CB PHE A 65 -10.317 12.819 -1.090 1.00 0.00 C ATOM 951 CG PHE A 65 -9.115 11.922 -1.162 1.00 0.00 C ATOM 952 CD1 PHE A 65 -8.040 12.113 -0.308 1.00 0.00 C ATOM 953 CD2 PHE A 65 -9.057 10.889 -2.084 1.00 0.00 C ATOM 954 CE1 PHE A 65 -6.932 11.289 -0.374 1.00 0.00 C ATOM 955 CE2 PHE A 65 -7.953 10.063 -2.153 1.00 0.00 C ATOM 956 CZ PHE A 65 -6.888 10.263 -1.296 1.00 0.00 C ATOM 0 H PHE A 65 -11.988 14.684 -0.939 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.336 14.730 -1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.643 12.894 -0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.134 12.363 -1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.068 12.914 0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.886 10.728 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.100 11.448 0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.922 9.261 -2.876 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.023 9.618 -1.347 1.00 0.00 H new ATOM 966 N LYS A 66 -8.300 14.696 -3.231 1.00 0.00 N ATOM 967 CA LYS A 66 -7.643 14.684 -4.533 1.00 0.00 C ATOM 968 C LYS A 66 -6.162 15.025 -4.397 1.00 0.00 C ATOM 969 O LYS A 66 -5.690 15.364 -3.311 1.00 0.00 O ATOM 970 CB LYS A 66 -8.320 15.678 -5.479 1.00 0.00 C ATOM 971 CG LYS A 66 -8.221 17.122 -5.018 1.00 0.00 C ATOM 972 CD LYS A 66 -8.869 18.070 -6.011 1.00 0.00 C ATOM 973 CE LYS A 66 -10.353 18.246 -5.727 1.00 0.00 C ATOM 974 NZ LYS A 66 -10.882 19.513 -6.304 1.00 0.00 N ATOM 0 H LYS A 66 -7.768 15.159 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.732 13.680 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.870 15.590 -6.468 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.371 15.410 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.702 17.228 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.173 17.392 -4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.372 19.039 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.734 17.687 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.904 17.401 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.520 18.240 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.896 19.596 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.374 20.321 -5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.746 19.508 -7.335 1.00 0.00 H new ATOM 988 N HIS A 67 -5.434 14.932 -5.505 1.00 0.00 N ATOM 989 CA HIS A 67 -4.007 15.232 -5.510 1.00 0.00 C ATOM 990 C HIS A 67 -3.720 16.517 -4.738 1.00 0.00 C ATOM 991 O HIS A 67 -4.467 17.493 -4.809 1.00 0.00 O ATOM 992 CB HIS A 67 -3.495 15.361 -6.945 1.00 0.00 C ATOM 993 CG HIS A 67 -2.065 14.949 -7.110 1.00 0.00 C ATOM 994 ND1 HIS A 67 -1.008 15.819 -6.945 1.00 0.00 N ATOM 995 CD2 HIS A 67 -1.519 13.751 -7.426 1.00 0.00 C ATOM 996 CE1 HIS A 67 0.126 15.174 -7.154 1.00 0.00 C ATOM 997 NE2 HIS A 67 -0.156 13.918 -7.447 1.00 0.00 N ATOM 0 H HIS A 67 -5.809 14.651 -6.411 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.487 14.409 -5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.118 14.752 -7.600 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.606 16.395 -7.270 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.055 12.835 -7.625 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.116 15.602 -7.095 1.00 0.00 H new ATOM 0 HE2 HIS A 67 0.527 13.190 -7.655 1.00 0.00 H new ATOM 1005 N PRO A 68 -2.612 16.519 -3.981 1.00 0.00 N ATOM 1006 CA PRO A 68 -2.201 17.676 -3.182 1.00 0.00 C ATOM 1007 C PRO A 68 -1.730 18.840 -4.047 1.00 0.00 C ATOM 1008 O PRO A 68 -1.310 19.877 -3.532 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.043 17.133 -2.340 1.00 0.00 C ATOM 1010 CG PRO A 68 -0.499 15.995 -3.133 1.00 0.00 C ATOM 1011 CD PRO A 68 -1.675 15.390 -3.848 1.00 0.00 C ATOM 0 HA PRO A 68 -3.025 18.076 -2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.284 17.897 -2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.387 16.804 -1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.255 16.338 -3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.017 15.263 -2.485 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.390 14.987 -4.820 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.113 14.570 -3.279 1.00 0.00 H new ATOM 1019 N GLU A 69 -1.803 18.662 -5.362 1.00 0.00 N ATOM 1020 CA GLU A 69 -1.383 19.699 -6.297 1.00 0.00 C ATOM 1021 C GLU A 69 -2.580 20.512 -6.782 1.00 0.00 C ATOM 1022 O GLU A 69 -2.431 21.645 -7.235 1.00 0.00 O ATOM 1023 CB GLU A 69 -0.658 19.076 -7.492 1.00 0.00 C ATOM 1024 CG GLU A 69 -1.595 18.479 -8.529 1.00 0.00 C ATOM 1025 CD GLU A 69 -0.862 17.977 -9.758 1.00 0.00 C ATOM 1026 OE1 GLU A 69 0.078 17.170 -9.599 1.00 0.00 O ATOM 1027 OE2 GLU A 69 -1.227 18.392 -10.878 1.00 0.00 O ATOM 0 H GLU A 69 -2.149 17.810 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.699 20.368 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.040 19.837 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.015 18.298 -7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.150 17.655 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.326 19.230 -8.828 1.00 0.00 H new ATOM 1034 N ASN A 70 -3.766 19.922 -6.684 1.00 0.00 N ATOM 1035 CA ASN A 70 -4.990 20.589 -7.112 1.00 0.00 C ATOM 1036 C ASN A 70 -5.491 21.550 -6.038 1.00 0.00 C ATOM 1037 O ASN A 70 -6.372 22.372 -6.288 1.00 0.00 O ATOM 1038 CB ASN A 70 -6.073 19.558 -7.435 1.00 0.00 C ATOM 1039 CG ASN A 70 -5.966 19.034 -8.855 1.00 0.00 C ATOM 1040 OD1 ASN A 70 -5.649 19.779 -9.782 1.00 0.00 O ATOM 1041 ND2 ASN A 70 -6.231 17.744 -9.030 1.00 0.00 N ATOM 0 H ASN A 70 -3.906 18.983 -6.312 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.765 21.163 -8.011 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.998 18.725 -6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.055 20.008 -7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.175 17.334 -9.962 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.490 17.164 -8.232 1.00 0.00 H new ATOM 1048 N TYR A 71 -4.923 21.440 -4.843 1.00 0.00 N ATOM 1049 CA TYR A 71 -5.313 22.296 -3.729 1.00 0.00 C ATOM 1050 C TYR A 71 -4.498 23.586 -3.723 1.00 0.00 C ATOM 1051 O TYR A 71 -3.275 23.560 -3.579 1.00 0.00 O ATOM 1052 CB TYR A 71 -5.130 21.558 -2.402 1.00 0.00 C ATOM 1053 CG TYR A 71 -6.031 20.352 -2.250 1.00 0.00 C ATOM 1054 CD1 TYR A 71 -7.360 20.399 -2.649 1.00 0.00 C ATOM 1055 CD2 TYR A 71 -5.550 19.166 -1.709 1.00 0.00 C ATOM 1056 CE1 TYR A 71 -8.187 19.301 -2.512 1.00 0.00 C ATOM 1057 CE2 TYR A 71 -6.369 18.061 -1.570 1.00 0.00 C ATOM 1058 CZ TYR A 71 -7.686 18.134 -1.973 1.00 0.00 C ATOM 1059 OH TYR A 71 -8.506 17.038 -1.836 1.00 0.00 O ATOM 0 H TYR A 71 -4.190 20.766 -4.620 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.365 22.552 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.092 21.239 -2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.322 22.250 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.754 21.310 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.519 19.106 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.219 19.356 -2.825 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.980 17.146 -1.148 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.379 17.230 -2.239 1.00 0.00 H new ATOM 1069 N ASP A 72 -5.184 24.712 -3.878 1.00 0.00 N ATOM 1070 CA ASP A 72 -4.526 26.014 -3.888 1.00 0.00 C ATOM 1071 C ASP A 72 -3.578 26.153 -2.701 1.00 0.00 C ATOM 1072 O ASP A 72 -3.858 25.658 -1.608 1.00 0.00 O ATOM 1073 CB ASP A 72 -5.566 27.135 -3.861 1.00 0.00 C ATOM 1074 CG ASP A 72 -6.799 26.801 -4.678 1.00 0.00 C ATOM 1075 OD1 ASP A 72 -6.652 26.516 -5.885 1.00 0.00 O ATOM 1076 OD2 ASP A 72 -7.910 26.825 -4.110 1.00 0.00 O ATOM 0 H ASP A 72 -6.196 24.750 -3.999 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.943 26.092 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.859 27.330 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.118 28.052 -4.244 1.00 0.00 H new ATOM 1081 N LEU A 73 -2.456 26.828 -2.923 1.00 0.00 N ATOM 1082 CA LEU A 73 -1.465 27.032 -1.872 1.00 0.00 C ATOM 1083 C LEU A 73 -2.141 27.223 -0.516 1.00 0.00 C ATOM 1084 O LEU A 73 -1.795 26.557 0.459 1.00 0.00 O ATOM 1085 CB LEU A 73 -0.593 28.246 -2.194 1.00 0.00 C ATOM 1086 CG LEU A 73 0.445 28.627 -1.138 1.00 0.00 C ATOM 1087 CD1 LEU A 73 1.094 27.382 -0.555 1.00 0.00 C ATOM 1088 CD2 LEU A 73 1.497 29.551 -1.732 1.00 0.00 C ATOM 0 H LEU A 73 -2.209 27.244 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.836 26.143 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.073 28.056 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.246 29.103 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.062 29.159 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.830 27.672 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.331 26.757 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.587 26.823 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.227 29.811 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.001 29.046 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.018 30.458 -2.100 1.00 0.00 H new ATOM 1100 N ALA A 74 -3.107 28.133 -0.466 1.00 0.00 N ATOM 1101 CA ALA A 74 -3.833 28.409 0.768 1.00 0.00 C ATOM 1102 C ALA A 74 -4.407 27.127 1.364 1.00 0.00 C ATOM 1103 O ALA A 74 -4.210 26.838 2.544 1.00 0.00 O ATOM 1104 CB ALA A 74 -4.943 29.418 0.513 1.00 0.00 C ATOM 0 H ALA A 74 -3.406 28.692 -1.265 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.132 28.832 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.477 29.615 1.443 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.512 30.347 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.637 29.017 -0.226 1.00 0.00 H new ATOM 1110 N THR A 75 -5.118 26.363 0.541 1.00 0.00 N ATOM 1111 CA THR A 75 -5.722 25.115 0.987 1.00 0.00 C ATOM 1112 C THR A 75 -4.660 24.131 1.466 1.00 0.00 C ATOM 1113 O THR A 75 -4.798 23.522 2.528 1.00 0.00 O ATOM 1114 CB THR A 75 -6.545 24.456 -0.136 1.00 0.00 C ATOM 1115 OG1 THR A 75 -7.581 25.344 -0.570 1.00 0.00 O ATOM 1116 CG2 THR A 75 -7.158 23.147 0.339 1.00 0.00 C ATOM 0 H THR A 75 -5.289 26.588 -0.439 1.00 0.00 H new ATOM 0 HA THR A 75 -6.385 25.363 1.816 1.00 0.00 H new ATOM 0 HB THR A 75 -5.876 24.244 -0.970 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.098 24.918 -1.285 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.734 22.700 -0.471 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.365 22.462 0.641 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.814 23.339 1.188 1.00 0.00 H new ATOM 1124 N LEU A 76 -3.601 23.980 0.679 1.00 0.00 N ATOM 1125 CA LEU A 76 -2.514 23.071 1.025 1.00 0.00 C ATOM 1126 C LEU A 76 -2.078 23.269 2.473 1.00 0.00 C ATOM 1127 O LEU A 76 -2.057 22.324 3.261 1.00 0.00 O ATOM 1128 CB LEU A 76 -1.325 23.286 0.087 1.00 0.00 C ATOM 1129 CG LEU A 76 -1.375 22.535 -1.244 1.00 0.00 C ATOM 1130 CD1 LEU A 76 -0.253 22.998 -2.161 1.00 0.00 C ATOM 1131 CD2 LEU A 76 -1.290 21.033 -1.012 1.00 0.00 C ATOM 0 H LEU A 76 -3.472 24.475 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.877 22.050 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.242 24.352 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.416 22.993 0.612 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.327 22.755 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.305 22.452 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.358 24.066 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.709 22.808 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.327 20.514 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.354 20.795 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.128 20.712 -0.393 1.00 0.00 H new ATOM 1143 N LYS A 77 -1.731 24.505 2.817 1.00 0.00 N ATOM 1144 CA LYS A 77 -1.298 24.829 4.171 1.00 0.00 C ATOM 1145 C LYS A 77 -2.264 24.257 5.202 1.00 0.00 C ATOM 1146 O LYS A 77 -1.846 23.627 6.174 1.00 0.00 O ATOM 1147 CB LYS A 77 -1.190 26.347 4.343 1.00 0.00 C ATOM 1148 CG LYS A 77 -0.165 26.992 3.426 1.00 0.00 C ATOM 1149 CD LYS A 77 -0.221 28.509 3.507 1.00 0.00 C ATOM 1150 CE LYS A 77 1.048 29.143 2.960 1.00 0.00 C ATOM 1151 NZ LYS A 77 1.158 30.579 3.340 1.00 0.00 N ATOM 0 H LYS A 77 -1.741 25.299 2.176 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.318 24.380 4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.166 26.796 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.930 26.569 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.834 26.649 3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.344 26.675 2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.082 28.873 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.364 28.814 4.544 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.916 28.600 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.060 29.053 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.036 30.975 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.343 31.102 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.172 30.664 4.376 1.00 0.00 H new ATOM 1165 N TRP A 78 -3.555 24.479 4.985 1.00 0.00 N ATOM 1166 CA TRP A 78 -4.580 23.984 5.897 1.00 0.00 C ATOM 1167 C TRP A 78 -4.356 22.510 6.218 1.00 0.00 C ATOM 1168 O TRP A 78 -4.139 22.143 7.372 1.00 0.00 O ATOM 1169 CB TRP A 78 -5.969 24.181 5.290 1.00 0.00 C ATOM 1170 CG TRP A 78 -7.083 23.921 6.259 1.00 0.00 C ATOM 1171 CD1 TRP A 78 -7.718 24.841 7.044 1.00 0.00 C ATOM 1172 CD2 TRP A 78 -7.690 22.657 6.547 1.00 0.00 C ATOM 1173 NE1 TRP A 78 -8.684 24.224 7.803 1.00 0.00 N ATOM 1174 CE2 TRP A 78 -8.688 22.885 7.516 1.00 0.00 C ATOM 1175 CE3 TRP A 78 -7.490 21.355 6.080 1.00 0.00 C ATOM 1176 CZ2 TRP A 78 -9.480 21.859 8.023 1.00 0.00 C ATOM 1177 CZ3 TRP A 78 -8.278 20.337 6.585 1.00 0.00 C ATOM 1178 CH2 TRP A 78 -9.262 20.594 7.549 1.00 0.00 C ATOM 0 H TRP A 78 -3.917 24.999 4.185 1.00 0.00 H new ATOM 0 HA TRP A 78 -4.513 24.553 6.824 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -6.053 25.201 4.916 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -6.080 23.517 4.433 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.494 25.897 7.065 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -9.298 24.688 8.472 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.733 21.148 5.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.240 22.054 8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.133 19.327 6.231 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -9.860 19.777 7.925 1.00 0.00 H new ATOM 1189 N ILE A 79 -4.410 21.670 5.189 1.00 0.00 N ATOM 1190 CA ILE A 79 -4.212 20.237 5.363 1.00 0.00 C ATOM 1191 C ILE A 79 -3.078 19.953 6.342 1.00 0.00 C ATOM 1192 O ILE A 79 -3.248 19.206 7.307 1.00 0.00 O ATOM 1193 CB ILE A 79 -3.902 19.544 4.023 1.00 0.00 C ATOM 1194 CG1 ILE A 79 -5.095 19.666 3.072 1.00 0.00 C ATOM 1195 CG2 ILE A 79 -3.546 18.083 4.251 1.00 0.00 C ATOM 1196 CD1 ILE A 79 -4.802 19.184 1.670 1.00 0.00 C ATOM 0 H ILE A 79 -4.589 21.958 4.227 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.144 19.837 5.763 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.045 20.039 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.931 19.095 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.411 20.708 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.330 17.608 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.669 18.018 4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.384 17.574 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.692 19.300 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.987 19.771 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.515 18.133 1.699 1.00 0.00 H new ATOM 1208 N LEU A 80 -1.922 20.556 6.091 1.00 0.00 N ATOM 1209 CA LEU A 80 -0.759 20.370 6.952 1.00 0.00 C ATOM 1210 C LEU A 80 -1.061 20.816 8.379 1.00 0.00 C ATOM 1211 O LEU A 80 -0.615 20.193 9.341 1.00 0.00 O ATOM 1212 CB LEU A 80 0.436 21.152 6.403 1.00 0.00 C ATOM 1213 CG LEU A 80 1.204 20.490 5.258 1.00 0.00 C ATOM 1214 CD1 LEU A 80 2.231 21.449 4.680 1.00 0.00 C ATOM 1215 CD2 LEU A 80 1.873 19.210 5.734 1.00 0.00 C ATOM 0 H LEU A 80 -1.764 21.178 5.298 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.515 19.308 6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.082 22.125 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.132 21.335 7.222 1.00 0.00 H new ATOM 0 HG LEU A 80 0.495 20.233 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.768 20.961 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.726 22.337 4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.937 21.738 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.415 18.753 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.570 19.441 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.115 18.517 6.098 1.00 0.00 H new ATOM 1227 N GLU A 81 -1.824 21.897 8.507 1.00 0.00 N ATOM 1228 CA GLU A 81 -2.187 22.424 9.817 1.00 0.00 C ATOM 1229 C GLU A 81 -3.034 21.420 10.592 1.00 0.00 C ATOM 1230 O GLU A 81 -2.697 21.042 11.713 1.00 0.00 O ATOM 1231 CB GLU A 81 -2.950 23.743 9.667 1.00 0.00 C ATOM 1232 CG GLU A 81 -2.059 24.972 9.741 1.00 0.00 C ATOM 1233 CD GLU A 81 -1.113 24.937 10.925 1.00 0.00 C ATOM 1234 OE1 GLU A 81 -1.597 24.784 12.066 1.00 0.00 O ATOM 1235 OE2 GLU A 81 0.111 25.063 10.711 1.00 0.00 O ATOM 0 H GLU A 81 -2.202 22.424 7.720 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.268 22.605 10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.476 23.743 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.708 23.806 10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.480 25.052 8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.682 25.864 9.805 1.00 0.00 H new ATOM 1242 N ASN A 82 -4.136 20.991 9.986 1.00 0.00 N ATOM 1243 CA ASN A 82 -5.034 20.030 10.619 1.00 0.00 C ATOM 1244 C ASN A 82 -4.785 18.623 10.088 1.00 0.00 C ATOM 1245 O ASN A 82 -5.719 17.839 9.913 1.00 0.00 O ATOM 1246 CB ASN A 82 -6.491 20.429 10.379 1.00 0.00 C ATOM 1247 CG ASN A 82 -6.830 21.775 10.990 1.00 0.00 C ATOM 1248 OD1 ASN A 82 -7.671 21.869 11.884 1.00 0.00 O ATOM 1249 ND2 ASN A 82 -6.177 22.824 10.506 1.00 0.00 N ATOM 0 H ASN A 82 -4.429 21.293 9.057 1.00 0.00 H new ATOM 0 HA ASN A 82 -4.835 20.034 11.691 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.684 20.461 9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.147 19.667 10.799 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.364 23.756 10.876 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.488 22.698 9.764 1.00 0.00 H new ATOM 1256 N LYS A 83 -3.519 18.306 9.834 1.00 0.00 N ATOM 1257 CA LYS A 83 -3.146 16.992 9.324 1.00 0.00 C ATOM 1258 C LYS A 83 -3.269 15.931 10.414 1.00 0.00 C ATOM 1259 O LYS A 83 -3.943 14.917 10.232 1.00 0.00 O ATOM 1260 CB LYS A 83 -1.715 17.019 8.784 1.00 0.00 C ATOM 1261 CG LYS A 83 -0.667 17.285 9.852 1.00 0.00 C ATOM 1262 CD LYS A 83 0.661 17.698 9.240 1.00 0.00 C ATOM 1263 CE LYS A 83 1.507 16.488 8.876 1.00 0.00 C ATOM 1264 NZ LYS A 83 2.806 16.883 8.262 1.00 0.00 N ATOM 0 H LYS A 83 -2.734 18.942 9.973 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.829 16.737 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.499 16.065 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.640 17.787 8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.020 18.069 10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.527 16.389 10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.481 18.299 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.207 18.327 9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.694 15.893 9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.955 15.855 8.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.469 16.083 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.653 17.150 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.204 17.692 8.781 1.00 0.00 H new ATOM 1278 N ALA A 84 -2.616 16.173 11.545 1.00 0.00 N ATOM 1279 CA ALA A 84 -2.656 15.240 12.665 1.00 0.00 C ATOM 1280 C ALA A 84 -4.055 14.661 12.846 1.00 0.00 C ATOM 1281 O ALA A 84 -4.213 13.509 13.249 1.00 0.00 O ATOM 1282 CB ALA A 84 -2.198 15.928 13.942 1.00 0.00 C ATOM 0 H ALA A 84 -2.053 17.007 11.711 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.976 14.417 12.445 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.233 15.220 14.770 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.177 16.288 13.815 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.855 16.770 14.157 1.00 0.00 H new ATOM 1288 N GLY A 85 -5.069 15.467 12.548 1.00 0.00 N ATOM 1289 CA GLY A 85 -6.441 15.016 12.686 1.00 0.00 C ATOM 1290 C GLY A 85 -6.881 14.135 11.533 1.00 0.00 C ATOM 1291 O GLY A 85 -7.680 13.217 11.716 1.00 0.00 O ATOM 0 H GLY A 85 -4.965 16.425 12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.547 14.465 13.621 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.100 15.882 12.750 1.00 0.00 H new ATOM 1295 N ILE A 86 -6.359 14.416 10.344 1.00 0.00 N ATOM 1296 CA ILE A 86 -6.703 13.642 9.158 1.00 0.00 C ATOM 1297 C ILE A 86 -6.484 12.151 9.392 1.00 0.00 C ATOM 1298 O ILE A 86 -5.397 11.727 9.784 1.00 0.00 O ATOM 1299 CB ILE A 86 -5.876 14.086 7.937 1.00 0.00 C ATOM 1300 CG1 ILE A 86 -6.464 15.363 7.332 1.00 0.00 C ATOM 1301 CG2 ILE A 86 -5.828 12.975 6.898 1.00 0.00 C ATOM 1302 CD1 ILE A 86 -5.612 15.958 6.232 1.00 0.00 C ATOM 0 H ILE A 86 -5.697 15.173 10.176 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.759 13.824 8.957 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.858 14.297 8.263 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.455 15.144 6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.593 16.103 8.121 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.240 13.304 6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.369 12.088 7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.841 12.737 6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.089 16.860 5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.628 16.208 6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.504 15.234 5.424 1.00 0.00 H new ATOM 1314 N SER A 87 -7.524 11.361 9.145 1.00 0.00 N ATOM 1315 CA SER A 87 -7.447 9.916 9.331 1.00 0.00 C ATOM 1316 C SER A 87 -7.814 9.183 8.044 1.00 0.00 C ATOM 1317 O SER A 87 -8.312 9.786 7.093 1.00 0.00 O ATOM 1318 CB SER A 87 -8.374 9.476 10.465 1.00 0.00 C ATOM 1319 OG SER A 87 -7.849 9.847 11.727 1.00 0.00 O ATOM 0 H SER A 87 -8.429 11.696 8.816 1.00 0.00 H new ATOM 0 HA SER A 87 -6.420 9.662 9.593 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.357 9.927 10.330 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.511 8.395 10.428 1.00 0.00 H new ATOM 0 HG SER A 87 -8.461 9.556 12.435 1.00 0.00 H new ATOM 1325 N PHE A 88 -7.564 7.878 8.023 1.00 0.00 N ATOM 1326 CA PHE A 88 -7.867 7.061 6.854 1.00 0.00 C ATOM 1327 C PHE A 88 -8.518 5.744 7.264 1.00 0.00 C ATOM 1328 O PHE A 88 -7.982 5.006 8.092 1.00 0.00 O ATOM 1329 CB PHE A 88 -6.592 6.785 6.053 1.00 0.00 C ATOM 1330 CG PHE A 88 -6.304 7.824 5.007 1.00 0.00 C ATOM 1331 CD1 PHE A 88 -6.051 9.137 5.368 1.00 0.00 C ATOM 1332 CD2 PHE A 88 -6.290 7.487 3.663 1.00 0.00 C ATOM 1333 CE1 PHE A 88 -5.785 10.096 4.407 1.00 0.00 C ATOM 1334 CE2 PHE A 88 -6.024 8.440 2.699 1.00 0.00 C ATOM 1335 CZ PHE A 88 -5.773 9.747 3.071 1.00 0.00 C ATOM 0 H PHE A 88 -7.153 7.364 8.802 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.568 7.613 6.229 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.747 6.728 6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.679 5.811 5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.061 9.415 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.489 6.468 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.587 11.116 4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.012 8.164 1.655 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.568 10.494 2.318 1.00 0.00 H new ATOM 1345 N ILE A 89 -9.677 5.455 6.680 1.00 0.00 N ATOM 1346 CA ILE A 89 -10.401 4.227 6.985 1.00 0.00 C ATOM 1347 C ILE A 89 -10.351 3.254 5.812 1.00 0.00 C ATOM 1348 O ILE A 89 -10.971 3.486 4.774 1.00 0.00 O ATOM 1349 CB ILE A 89 -11.872 4.514 7.336 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -11.963 5.637 8.372 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -12.549 3.253 7.853 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -12.169 7.006 7.764 1.00 0.00 C ATOM 0 H ILE A 89 -10.134 6.055 5.993 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.911 3.777 7.848 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.389 4.836 6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.786 5.424 9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.050 5.646 8.967 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.589 3.472 8.097 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.511 2.479 7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.033 2.903 8.747 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.224 7.752 8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.334 7.240 7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.097 7.015 7.193 1.00 0.00 H new ATOM 1364 N ILE A 90 -9.609 2.166 5.985 1.00 0.00 N ATOM 1365 CA ILE A 90 -9.480 1.156 4.942 1.00 0.00 C ATOM 1366 C ILE A 90 -10.667 0.198 4.954 1.00 0.00 C ATOM 1367 O ILE A 90 -10.846 -0.573 5.897 1.00 0.00 O ATOM 1368 CB ILE A 90 -8.179 0.346 5.100 1.00 0.00 C ATOM 1369 CG1 ILE A 90 -7.184 0.718 4.000 1.00 0.00 C ATOM 1370 CG2 ILE A 90 -8.478 -1.146 5.071 1.00 0.00 C ATOM 1371 CD1 ILE A 90 -6.261 1.854 4.378 1.00 0.00 C ATOM 0 H ILE A 90 -9.088 1.961 6.838 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.454 1.687 3.990 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.732 0.588 6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.585 -0.158 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.735 0.993 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.549 -1.705 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.155 -1.397 5.888 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.945 -1.405 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.583 2.063 3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.851 2.744 4.598 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.683 1.575 5.259 1.00 0.00 H new ATOM 1383 N LYS A 91 -11.474 0.251 3.901 1.00 0.00 N ATOM 1384 CA LYS A 91 -12.642 -0.613 3.787 1.00 0.00 C ATOM 1385 C LYS A 91 -12.298 -1.899 3.043 1.00 0.00 C ATOM 1386 O LYS A 91 -12.878 -2.953 3.306 1.00 0.00 O ATOM 1387 CB LYS A 91 -13.776 0.120 3.063 1.00 0.00 C ATOM 1388 CG LYS A 91 -13.989 1.543 3.550 1.00 0.00 C ATOM 1389 CD LYS A 91 -14.989 1.597 4.693 1.00 0.00 C ATOM 1390 CE LYS A 91 -15.758 2.908 4.698 1.00 0.00 C ATOM 1391 NZ LYS A 91 -17.040 2.802 3.949 1.00 0.00 N ATOM 0 H LYS A 91 -11.340 0.884 3.113 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.969 -0.873 4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -13.561 0.139 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -14.701 -0.442 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.038 1.963 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.344 2.162 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.687 0.765 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.466 1.477 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.962 3.205 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.143 3.692 4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.534 3.717 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.844 2.543 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.638 2.072 4.386 1.00 0.00 H new ATOM 1405 N ARG A 92 -11.351 -1.805 2.115 1.00 0.00 N ATOM 1406 CA ARG A 92 -10.929 -2.961 1.335 1.00 0.00 C ATOM 1407 C ARG A 92 -9.811 -2.585 0.367 1.00 0.00 C ATOM 1408 O ARG A 92 -9.904 -1.612 -0.380 1.00 0.00 O ATOM 1409 CB ARG A 92 -12.115 -3.540 0.560 1.00 0.00 C ATOM 1410 CG ARG A 92 -11.707 -4.433 -0.600 1.00 0.00 C ATOM 1411 CD ARG A 92 -11.280 -3.614 -1.809 1.00 0.00 C ATOM 1412 NE ARG A 92 -11.615 -4.279 -3.066 1.00 0.00 N ATOM 1413 CZ ARG A 92 -11.079 -5.430 -3.454 1.00 0.00 C ATOM 1414 NH1 ARG A 92 -10.188 -6.042 -2.686 1.00 0.00 N ATOM 1415 NH2 ARG A 92 -11.435 -5.972 -4.611 1.00 0.00 N ATOM 0 H ARG A 92 -10.862 -0.940 1.885 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.551 -3.715 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.741 -4.112 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.725 -2.720 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.888 -5.082 -0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.540 -5.080 -0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.764 -2.638 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.205 -3.439 -1.767 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.298 -3.835 -3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.913 -5.629 -1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.778 -6.926 -2.986 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.121 -5.504 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.023 -6.856 -4.908 1.00 0.00 H new ATOM 1429 N PRO A 93 -8.727 -3.375 0.381 1.00 0.00 N ATOM 1430 CA PRO A 93 -7.569 -3.145 -0.489 1.00 0.00 C ATOM 1431 C PRO A 93 -7.880 -3.430 -1.955 1.00 0.00 C ATOM 1432 O PRO A 93 -8.234 -4.552 -2.319 1.00 0.00 O ATOM 1433 CB PRO A 93 -6.527 -4.134 0.038 1.00 0.00 C ATOM 1434 CG PRO A 93 -7.323 -5.219 0.678 1.00 0.00 C ATOM 1435 CD PRO A 93 -8.548 -4.554 1.245 1.00 0.00 C ATOM 0 HA PRO A 93 -7.241 -2.106 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.906 -4.522 -0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.857 -3.659 0.755 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.595 -5.984 -0.049 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.749 -5.714 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.415 -5.213 1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.405 -4.270 2.288 1.00 0.00 H new ATOM 1443 N PHE A 94 -7.744 -2.408 -2.793 1.00 0.00 N ATOM 1444 CA PHE A 94 -8.011 -2.548 -4.220 1.00 0.00 C ATOM 1445 C PHE A 94 -7.601 -3.932 -4.717 1.00 0.00 C ATOM 1446 O PHE A 94 -6.654 -4.532 -4.204 1.00 0.00 O ATOM 1447 CB PHE A 94 -7.267 -1.469 -5.008 1.00 0.00 C ATOM 1448 CG PHE A 94 -7.513 -0.078 -4.500 1.00 0.00 C ATOM 1449 CD1 PHE A 94 -6.833 0.398 -3.390 1.00 0.00 C ATOM 1450 CD2 PHE A 94 -8.423 0.754 -5.130 1.00 0.00 C ATOM 1451 CE1 PHE A 94 -7.057 1.678 -2.919 1.00 0.00 C ATOM 1452 CE2 PHE A 94 -8.652 2.035 -4.664 1.00 0.00 C ATOM 1453 CZ PHE A 94 -7.968 2.497 -3.556 1.00 0.00 C ATOM 0 H PHE A 94 -7.450 -1.473 -2.509 1.00 0.00 H new ATOM 0 HA PHE A 94 -9.083 -2.428 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.198 -1.676 -4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -7.567 -1.523 -6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.120 -0.239 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.961 0.398 -5.996 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.520 2.037 -2.054 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.364 2.674 -5.165 1.00 0.00 H new ATOM 0 HZ PHE A 94 -8.146 3.497 -3.189 1.00 0.00 H new ATOM 1463 N LEU A 95 -8.318 -4.432 -5.716 1.00 0.00 N ATOM 1464 CA LEU A 95 -8.029 -5.745 -6.283 1.00 0.00 C ATOM 1465 C LEU A 95 -6.528 -6.009 -6.307 1.00 0.00 C ATOM 1466 O LEU A 95 -5.739 -5.134 -6.661 1.00 0.00 O ATOM 1467 CB LEU A 95 -8.600 -5.848 -7.698 1.00 0.00 C ATOM 1468 CG LEU A 95 -10.081 -6.213 -7.800 1.00 0.00 C ATOM 1469 CD1 LEU A 95 -10.634 -5.826 -9.163 1.00 0.00 C ATOM 1470 CD2 LEU A 95 -10.282 -7.700 -7.544 1.00 0.00 C ATOM 0 H LEU A 95 -9.104 -3.949 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.501 -6.498 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.447 -4.893 -8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.024 -6.593 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 95 -10.626 -5.656 -7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.689 -6.094 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.524 -4.751 -9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.085 -6.355 -9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -11.342 -7.942 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.724 -8.275 -8.283 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.924 -7.949 -6.545 1.00 0.00 H new ATOM 1482 N GLU A 96 -6.139 -7.224 -5.930 1.00 0.00 N ATOM 1483 CA GLU A 96 -4.732 -7.603 -5.910 1.00 0.00 C ATOM 1484 C GLU A 96 -4.383 -8.466 -7.119 1.00 0.00 C ATOM 1485 O GLU A 96 -5.151 -9.337 -7.534 1.00 0.00 O ATOM 1486 CB GLU A 96 -4.401 -8.356 -4.620 1.00 0.00 C ATOM 1487 CG GLU A 96 -2.925 -8.680 -4.465 1.00 0.00 C ATOM 1488 CD GLU A 96 -2.654 -9.633 -3.317 1.00 0.00 C ATOM 1489 OE1 GLU A 96 -2.818 -9.218 -2.150 1.00 0.00 O ATOM 1490 OE2 GLU A 96 -2.279 -10.794 -3.585 1.00 0.00 O ATOM 0 H GLU A 96 -6.779 -7.961 -5.635 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.137 -6.691 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.724 -7.759 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.972 -9.284 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.554 -9.118 -5.391 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.369 -7.756 -4.304 1.00 0.00 H new ATOM 1497 N PRO A 97 -3.200 -8.223 -7.700 1.00 0.00 N ATOM 1498 CA PRO A 97 -2.722 -8.967 -8.869 1.00 0.00 C ATOM 1499 C PRO A 97 -2.370 -10.411 -8.532 1.00 0.00 C ATOM 1500 O PRO A 97 -2.240 -10.773 -7.363 1.00 0.00 O ATOM 1501 CB PRO A 97 -1.470 -8.195 -9.294 1.00 0.00 C ATOM 1502 CG PRO A 97 -0.998 -7.525 -8.049 1.00 0.00 C ATOM 1503 CD PRO A 97 -2.235 -7.201 -7.259 1.00 0.00 C ATOM 0 HA PRO A 97 -3.482 -9.035 -9.648 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.710 -8.864 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.699 -7.468 -10.073 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.333 -8.177 -7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.435 -6.621 -8.282 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.053 -7.257 -6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.593 -6.193 -7.469 1.00 0.00 H new ATOM 1511 N LYS A 98 -2.216 -11.234 -9.565 1.00 0.00 N ATOM 1512 CA LYS A 98 -1.876 -12.639 -9.380 1.00 0.00 C ATOM 1513 C LYS A 98 -0.757 -12.798 -8.355 1.00 0.00 C ATOM 1514 O LYS A 98 -0.823 -13.659 -7.477 1.00 0.00 O ATOM 1515 CB LYS A 98 -1.454 -13.263 -10.712 1.00 0.00 C ATOM 1516 CG LYS A 98 -0.863 -14.655 -10.572 1.00 0.00 C ATOM 1517 CD LYS A 98 -0.591 -15.285 -11.927 1.00 0.00 C ATOM 1518 CE LYS A 98 0.086 -16.640 -11.787 1.00 0.00 C ATOM 1519 NZ LYS A 98 0.795 -17.037 -13.035 1.00 0.00 N ATOM 0 H LYS A 98 -2.322 -10.951 -10.539 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.761 -13.155 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.320 -13.310 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.722 -12.613 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.065 -14.602 -10.002 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.548 -15.287 -10.007 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.529 -15.400 -12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.040 -14.621 -12.518 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.796 -16.608 -10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.660 -17.395 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.243 -17.966 -12.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.114 -17.093 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.524 -16.330 -13.260 1.00 0.00 H new ATOM 1533 N LYS A 99 0.269 -11.963 -8.471 1.00 0.00 N ATOM 1534 CA LYS A 99 1.401 -12.007 -7.554 1.00 0.00 C ATOM 1535 C LYS A 99 1.424 -10.774 -6.656 1.00 0.00 C ATOM 1536 O LYS A 99 1.773 -9.679 -7.098 1.00 0.00 O ATOM 1537 CB LYS A 99 2.714 -12.106 -8.336 1.00 0.00 C ATOM 1538 CG LYS A 99 2.836 -13.375 -9.161 1.00 0.00 C ATOM 1539 CD LYS A 99 3.736 -13.171 -10.367 1.00 0.00 C ATOM 1540 CE LYS A 99 3.720 -14.384 -11.286 1.00 0.00 C ATOM 1541 NZ LYS A 99 4.348 -15.573 -10.647 1.00 0.00 N ATOM 0 H LYS A 99 0.340 -11.246 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 99 1.292 -12.890 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.800 -11.243 -8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.548 -12.056 -7.637 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.235 -14.177 -8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.847 -13.691 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.411 -12.290 -10.920 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.756 -12.979 -10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.691 -14.619 -11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.248 -14.147 -12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.363 -16.363 -11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.321 -15.341 -10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.799 -15.846 -9.807 1.00 0.00 H new ATOM 1555 N HIS A 100 1.049 -10.959 -5.394 1.00 0.00 N ATOM 1556 CA HIS A 100 1.029 -9.862 -4.434 1.00 0.00 C ATOM 1557 C HIS A 100 2.339 -9.081 -4.473 1.00 0.00 C ATOM 1558 O HIS A 100 2.342 -7.851 -4.417 1.00 0.00 O ATOM 1559 CB HIS A 100 0.782 -10.396 -3.023 1.00 0.00 C ATOM 1560 CG HIS A 100 1.877 -11.285 -2.519 1.00 0.00 C ATOM 1561 ND1 HIS A 100 2.413 -11.174 -1.253 1.00 0.00 N ATOM 1562 CD2 HIS A 100 2.535 -12.305 -3.117 1.00 0.00 C ATOM 1563 CE1 HIS A 100 3.356 -12.087 -1.096 1.00 0.00 C ATOM 1564 NE2 HIS A 100 3.449 -12.786 -2.212 1.00 0.00 N ATOM 0 H HIS A 100 0.755 -11.858 -5.013 1.00 0.00 H new ATOM 0 HA HIS A 100 0.217 -9.188 -4.707 1.00 0.00 H new ATOM 0 HB2 HIS A 100 0.665 -9.554 -2.340 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -0.158 -10.948 -3.012 1.00 0.00 H new ATOM 0 HD2 HIS A 100 2.372 -12.672 -4.119 1.00 0.00 H new ATOM 0 HE1 HIS A 100 3.949 -12.236 -0.206 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.095 -13.558 -2.376 1.00 0.00 H new ATOM 1572 N VAL A 101 3.451 -9.803 -4.570 1.00 0.00 N ATOM 1573 CA VAL A 101 4.767 -9.179 -4.617 1.00 0.00 C ATOM 1574 C VAL A 101 5.595 -9.728 -5.772 1.00 0.00 C ATOM 1575 O VAL A 101 6.308 -10.720 -5.623 1.00 0.00 O ATOM 1576 CB VAL A 101 5.537 -9.393 -3.300 1.00 0.00 C ATOM 1577 CG1 VAL A 101 4.836 -8.685 -2.150 1.00 0.00 C ATOM 1578 CG2 VAL A 101 5.692 -10.877 -3.009 1.00 0.00 C ATOM 0 H VAL A 101 3.466 -10.822 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 101 4.606 -8.111 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 101 6.532 -8.962 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.394 -8.848 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.783 -7.616 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.827 -9.083 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.238 -11.010 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.707 -11.335 -2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.242 -11.352 -3.822 1.00 0.00 H new ATOM 1588 N GLY A 102 5.496 -9.076 -6.927 1.00 0.00 N ATOM 1589 CA GLY A 102 6.243 -9.514 -8.092 1.00 0.00 C ATOM 1590 C GLY A 102 7.679 -9.028 -8.078 1.00 0.00 C ATOM 1591 O GLY A 102 7.956 -7.904 -7.663 1.00 0.00 O ATOM 0 H GLY A 102 4.912 -8.253 -7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.232 -10.603 -8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.749 -9.152 -8.994 1.00 0.00 H new ATOM 1595 N GLY A 103 8.594 -9.879 -8.531 1.00 0.00 N ATOM 1596 CA GLY A 103 9.998 -9.512 -8.559 1.00 0.00 C ATOM 1597 C GLY A 103 10.736 -9.947 -7.308 1.00 0.00 C ATOM 1598 O GLY A 103 10.154 -10.004 -6.225 1.00 0.00 O ATOM 0 H GLY A 103 8.389 -10.816 -8.879 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.471 -9.963 -9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.086 -8.431 -8.672 1.00 0.00 H new ATOM 1602 N SER A 104 12.019 -10.258 -7.458 1.00 0.00 N ATOM 1603 CA SER A 104 12.836 -10.696 -6.332 1.00 0.00 C ATOM 1604 C SER A 104 14.141 -9.909 -6.268 1.00 0.00 C ATOM 1605 O SER A 104 14.541 -9.431 -5.208 1.00 0.00 O ATOM 1606 CB SER A 104 13.135 -12.192 -6.443 1.00 0.00 C ATOM 1607 OG SER A 104 13.835 -12.486 -7.639 1.00 0.00 O ATOM 0 H SER A 104 12.516 -10.215 -8.348 1.00 0.00 H new ATOM 0 HA SER A 104 12.276 -10.511 -5.416 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.725 -12.512 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.202 -12.755 -6.416 1.00 0.00 H new ATOM 0 HG SER A 104 14.015 -13.448 -7.684 1.00 0.00 H new ATOM 1613 N GLY A 105 14.803 -9.778 -7.415 1.00 0.00 N ATOM 1614 CA GLY A 105 16.056 -9.049 -7.469 1.00 0.00 C ATOM 1615 C GLY A 105 17.201 -9.902 -7.979 1.00 0.00 C ATOM 1616 O GLY A 105 17.965 -10.480 -7.206 1.00 0.00 O ATOM 0 H GLY A 105 14.493 -10.164 -8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 105 15.939 -8.179 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.299 -8.677 -6.474 1.00 0.00 H new ATOM 1620 N PRO A 106 17.331 -9.990 -9.312 1.00 0.00 N ATOM 1621 CA PRO A 106 18.388 -10.777 -9.953 1.00 0.00 C ATOM 1622 C PRO A 106 19.769 -10.160 -9.761 1.00 0.00 C ATOM 1623 O PRO A 106 20.763 -10.666 -10.279 1.00 0.00 O ATOM 1624 CB PRO A 106 17.995 -10.759 -11.432 1.00 0.00 C ATOM 1625 CG PRO A 106 17.186 -9.518 -11.594 1.00 0.00 C ATOM 1626 CD PRO A 106 16.456 -9.327 -10.293 1.00 0.00 C ATOM 0 HA PRO A 106 18.464 -11.779 -9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 106 18.875 -10.745 -12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 106 17.419 -11.645 -11.699 1.00 0.00 H new ATOM 0 HG2 PRO A 106 17.824 -8.662 -11.813 1.00 0.00 H new ATOM 0 HG3 PRO A 106 16.486 -9.614 -12.424 1.00 0.00 H new ATOM 0 HD2 PRO A 106 16.319 -8.271 -10.060 1.00 0.00 H new ATOM 0 HD3 PRO A 106 15.465 -9.779 -10.318 1.00 0.00 H new ATOM 1634 N SER A 107 19.822 -9.063 -9.012 1.00 0.00 N ATOM 1635 CA SER A 107 21.081 -8.373 -8.755 1.00 0.00 C ATOM 1636 C SER A 107 21.494 -8.525 -7.294 1.00 0.00 C ATOM 1637 O SER A 107 20.846 -7.989 -6.395 1.00 0.00 O ATOM 1638 CB SER A 107 20.958 -6.891 -9.111 1.00 0.00 C ATOM 1639 OG SER A 107 22.100 -6.167 -8.686 1.00 0.00 O ATOM 0 H SER A 107 19.008 -8.633 -8.573 1.00 0.00 H new ATOM 0 HA SER A 107 21.850 -8.826 -9.381 1.00 0.00 H new ATOM 0 HB2 SER A 107 20.835 -6.782 -10.188 1.00 0.00 H new ATOM 0 HB3 SER A 107 20.065 -6.475 -8.644 1.00 0.00 H new ATOM 0 HG SER A 107 21.997 -5.223 -8.927 1.00 0.00 H new ATOM 1645 N SER A 108 22.578 -9.259 -7.065 1.00 0.00 N ATOM 1646 CA SER A 108 23.077 -9.484 -5.713 1.00 0.00 C ATOM 1647 C SER A 108 24.421 -8.793 -5.508 1.00 0.00 C ATOM 1648 O SER A 108 25.347 -8.960 -6.301 1.00 0.00 O ATOM 1649 CB SER A 108 23.215 -10.984 -5.441 1.00 0.00 C ATOM 1650 OG SER A 108 21.951 -11.577 -5.203 1.00 0.00 O ATOM 0 H SER A 108 23.128 -9.708 -7.798 1.00 0.00 H new ATOM 0 HA SER A 108 22.359 -9.059 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 108 23.693 -11.469 -6.292 1.00 0.00 H new ATOM 0 HB3 SER A 108 23.863 -11.142 -4.579 1.00 0.00 H new ATOM 0 HG SER A 108 22.066 -12.535 -5.034 1.00 0.00 H new ATOM 1656 N GLY A 109 24.522 -8.014 -4.434 1.00 0.00 N ATOM 1657 CA GLY A 109 25.756 -7.309 -4.141 1.00 0.00 C ATOM 1658 C GLY A 109 26.257 -7.576 -2.736 1.00 0.00 C ATOM 1659 O GLY A 109 27.274 -7.022 -2.317 1.00 0.00 O ATOM 0 H GLY A 109 23.771 -7.859 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 109 26.520 -7.607 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 109 25.598 -6.238 -4.270 1.00 0.00 H new TER 1663 GLY A 109