USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 531 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+ 180:sc= 0 (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 30:sc= 0.8 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -148:sc= -0.0493 (180deg=-0.174) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -15:sc= 0.275 USER MOD Single : A 39 ASN : amide:sc= -2.11! C(o=-2.1!,f=-2.1!) USER MOD Single : A 41 ASN : amide:sc= -0.656 K(o=-0.66,f=-3!) USER MOD Single : A 50 LYS NZ :NH3+ -138:sc= -1.65 (180deg=-4.15!) USER MOD Single : A 51 ASN : amide:sc= -3.76! C(o=-3.8!,f=-8!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -4.92! C(o=-4.9!,f=-12!) USER MOD Single : A 61 THR OG1 : rot -96:sc= 0.0407 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.0066) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.050 18.357 -3.414 1.00 0.00 N ATOM 2 CA GLY A 1 21.654 19.610 -2.798 1.00 0.00 C ATOM 3 C GLY A 1 20.164 19.864 -2.907 1.00 0.00 C ATOM 4 O GLY A 1 19.594 19.796 -3.996 1.00 0.00 O ATOM 0 H1 GLY A 1 23.077 18.230 -3.313 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.556 17.570 -2.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.801 18.373 -4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.942 19.601 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.195 20.430 -3.270 1.00 0.00 H new ATOM 8 N SER A 2 19.531 20.156 -1.775 1.00 0.00 N ATOM 9 CA SER A 2 18.096 20.416 -1.747 1.00 0.00 C ATOM 10 C SER A 2 17.779 21.616 -0.861 1.00 0.00 C ATOM 11 O SER A 2 18.589 22.016 -0.025 1.00 0.00 O ATOM 12 CB SER A 2 17.343 19.183 -1.245 1.00 0.00 C ATOM 13 OG SER A 2 17.488 19.032 0.156 1.00 0.00 O ATOM 0 H SER A 2 19.989 20.218 -0.866 1.00 0.00 H new ATOM 0 HA SER A 2 17.772 20.641 -2.763 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.286 19.271 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.718 18.293 -1.751 1.00 0.00 H new ATOM 0 HG SER A 2 16.996 18.238 0.452 1.00 0.00 H new ATOM 19 N SER A 3 16.593 22.186 -1.049 1.00 0.00 N ATOM 20 CA SER A 3 16.168 23.343 -0.270 1.00 0.00 C ATOM 21 C SER A 3 15.245 22.922 0.869 1.00 0.00 C ATOM 22 O SER A 3 15.558 23.120 2.042 1.00 0.00 O ATOM 23 CB SER A 3 15.457 24.357 -1.169 1.00 0.00 C ATOM 24 OG SER A 3 15.291 25.598 -0.506 1.00 0.00 O ATOM 0 H SER A 3 15.909 21.865 -1.734 1.00 0.00 H new ATOM 0 HA SER A 3 17.056 23.807 0.158 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.032 24.504 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.483 23.966 -1.464 1.00 0.00 H new ATOM 0 HG SER A 3 14.836 26.229 -1.102 1.00 0.00 H new ATOM 30 N GLY A 4 14.105 22.338 0.514 1.00 0.00 N ATOM 31 CA GLY A 4 13.153 21.897 1.517 1.00 0.00 C ATOM 32 C GLY A 4 11.825 22.621 1.413 1.00 0.00 C ATOM 33 O GLY A 4 11.261 23.044 2.422 1.00 0.00 O ATOM 0 H GLY A 4 13.823 22.162 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.988 20.825 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.574 22.058 2.509 1.00 0.00 H new ATOM 37 N SER A 5 11.325 22.765 0.190 1.00 0.00 N ATOM 38 CA SER A 5 10.057 23.447 -0.042 1.00 0.00 C ATOM 39 C SER A 5 8.888 22.608 0.464 1.00 0.00 C ATOM 40 O SER A 5 8.808 21.409 0.196 1.00 0.00 O ATOM 41 CB SER A 5 9.880 23.745 -1.532 1.00 0.00 C ATOM 42 OG SER A 5 10.722 24.808 -1.944 1.00 0.00 O ATOM 0 H SER A 5 11.778 22.419 -0.655 1.00 0.00 H new ATOM 0 HA SER A 5 10.071 24.387 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.106 22.852 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.840 24.002 -1.733 1.00 0.00 H new ATOM 0 HG SER A 5 10.591 24.977 -2.900 1.00 0.00 H new ATOM 48 N SER A 6 7.982 23.247 1.197 1.00 0.00 N ATOM 49 CA SER A 6 6.818 22.560 1.744 1.00 0.00 C ATOM 50 C SER A 6 5.891 22.090 0.628 1.00 0.00 C ATOM 51 O SER A 6 5.312 22.899 -0.097 1.00 0.00 O ATOM 52 CB SER A 6 6.058 23.482 2.699 1.00 0.00 C ATOM 53 OG SER A 6 5.470 24.566 2.002 1.00 0.00 O ATOM 0 H SER A 6 8.032 24.240 1.426 1.00 0.00 H new ATOM 0 HA SER A 6 7.168 21.687 2.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.284 22.916 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.738 23.862 3.461 1.00 0.00 H new ATOM 0 HG SER A 6 5.256 24.289 1.087 1.00 0.00 H new ATOM 59 N GLY A 7 5.754 20.774 0.495 1.00 0.00 N ATOM 60 CA GLY A 7 4.897 20.217 -0.534 1.00 0.00 C ATOM 61 C GLY A 7 3.855 19.270 0.028 1.00 0.00 C ATOM 62 O GLY A 7 4.109 18.566 1.005 1.00 0.00 O ATOM 0 H GLY A 7 6.222 20.084 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.398 21.028 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.509 19.687 -1.264 1.00 0.00 H new ATOM 66 N MET A 8 2.677 19.255 -0.588 1.00 0.00 N ATOM 67 CA MET A 8 1.593 18.388 -0.142 1.00 0.00 C ATOM 68 C MET A 8 1.654 17.035 -0.844 1.00 0.00 C ATOM 69 O MET A 8 1.074 16.854 -1.914 1.00 0.00 O ATOM 70 CB MET A 8 0.240 19.051 -0.405 1.00 0.00 C ATOM 71 CG MET A 8 -0.875 18.536 0.491 1.00 0.00 C ATOM 72 SD MET A 8 -2.362 19.551 0.404 1.00 0.00 S ATOM 73 CE MET A 8 -3.488 18.432 -0.426 1.00 0.00 C ATOM 0 H MET A 8 2.449 19.833 -1.397 1.00 0.00 H new ATOM 0 HA MET A 8 1.709 18.227 0.930 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.339 20.127 -0.265 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.038 18.889 -1.446 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.121 17.513 0.206 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.522 18.504 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.456 18.918 -0.553 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.084 18.167 -1.403 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.611 17.529 0.173 1.00 0.00 H new ATOM 83 N ALA A 9 2.361 16.089 -0.234 1.00 0.00 N ATOM 84 CA ALA A 9 2.496 14.753 -0.801 1.00 0.00 C ATOM 85 C ALA A 9 1.580 13.761 -0.092 1.00 0.00 C ATOM 86 O ALA A 9 1.563 13.682 1.137 1.00 0.00 O ATOM 87 CB ALA A 9 3.943 14.289 -0.719 1.00 0.00 C ATOM 0 H ALA A 9 2.849 16.223 0.652 1.00 0.00 H new ATOM 0 HA ALA A 9 2.199 14.798 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.029 13.290 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.578 14.978 -1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.259 14.267 0.324 1.00 0.00 H new ATOM 93 N THR A 10 0.817 13.004 -0.874 1.00 0.00 N ATOM 94 CA THR A 10 -0.104 12.018 -0.322 1.00 0.00 C ATOM 95 C THR A 10 0.610 10.705 -0.024 1.00 0.00 C ATOM 96 O THR A 10 1.599 10.363 -0.673 1.00 0.00 O ATOM 97 CB THR A 10 -1.277 11.745 -1.282 1.00 0.00 C ATOM 98 OG1 THR A 10 -2.039 12.942 -1.477 1.00 0.00 O ATOM 99 CG2 THR A 10 -2.178 10.647 -0.736 1.00 0.00 C ATOM 0 H THR A 10 0.819 13.055 -1.893 1.00 0.00 H new ATOM 0 HA THR A 10 -0.494 12.435 0.606 1.00 0.00 H new ATOM 0 HB THR A 10 -0.868 11.416 -2.237 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.782 12.761 -2.090 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.999 10.471 -1.431 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.602 9.730 -0.616 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.579 10.952 0.230 1.00 0.00 H new ATOM 107 N LYS A 11 0.103 9.971 0.961 1.00 0.00 N ATOM 108 CA LYS A 11 0.691 8.693 1.344 1.00 0.00 C ATOM 109 C LYS A 11 -0.392 7.649 1.593 1.00 0.00 C ATOM 110 O LYS A 11 -1.554 7.987 1.819 1.00 0.00 O ATOM 111 CB LYS A 11 1.552 8.860 2.599 1.00 0.00 C ATOM 112 CG LYS A 11 2.855 9.599 2.349 1.00 0.00 C ATOM 113 CD LYS A 11 3.808 9.463 3.525 1.00 0.00 C ATOM 114 CE LYS A 11 5.114 10.199 3.271 1.00 0.00 C ATOM 115 NZ LYS A 11 5.018 11.640 3.633 1.00 0.00 N ATOM 0 H LYS A 11 -0.714 10.240 1.509 1.00 0.00 H new ATOM 0 HA LYS A 11 1.320 8.350 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.978 9.398 3.354 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.776 7.875 3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.329 9.208 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.647 10.654 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.336 9.857 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.013 8.408 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.912 9.732 3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.385 10.106 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.928 12.106 3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.274 12.092 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.785 11.730 4.643 1.00 0.00 H new ATOM 129 N ALA A 12 -0.004 6.378 1.552 1.00 0.00 N ATOM 130 CA ALA A 12 -0.941 5.285 1.777 1.00 0.00 C ATOM 131 C ALA A 12 -0.310 4.186 2.625 1.00 0.00 C ATOM 132 O ALA A 12 0.889 3.928 2.530 1.00 0.00 O ATOM 133 CB ALA A 12 -1.421 4.720 0.448 1.00 0.00 C ATOM 0 H ALA A 12 0.954 6.081 1.365 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.798 5.680 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.120 3.904 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.919 5.504 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.568 4.346 -0.118 1.00 0.00 H new ATOM 139 N ARG A 13 -1.126 3.544 3.454 1.00 0.00 N ATOM 140 CA ARG A 13 -0.646 2.474 4.321 1.00 0.00 C ATOM 141 C ARG A 13 -1.122 1.113 3.819 1.00 0.00 C ATOM 142 O ARG A 13 -2.309 0.915 3.561 1.00 0.00 O ATOM 143 CB ARG A 13 -1.127 2.697 5.756 1.00 0.00 C ATOM 144 CG ARG A 13 -0.308 1.950 6.796 1.00 0.00 C ATOM 145 CD ARG A 13 -0.694 2.359 8.208 1.00 0.00 C ATOM 146 NE ARG A 13 -0.180 1.427 9.208 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.194 1.669 10.514 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.695 2.807 10.976 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.292 0.771 11.362 1.00 0.00 N ATOM 0 H ARG A 13 -2.122 3.746 3.544 1.00 0.00 H new ATOM 0 HA ARG A 13 0.444 2.488 4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.096 3.764 5.979 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.169 2.385 5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.455 0.877 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.752 2.147 6.636 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.311 3.359 8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.780 2.412 8.286 1.00 0.00 H new ATOM 0 HE ARG A 13 0.211 0.542 8.886 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.071 3.499 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.704 2.990 11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.677 -0.106 11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.281 0.958 12.365 1.00 0.00 H new ATOM 163 N VAL A 14 -0.187 0.179 3.683 1.00 0.00 N ATOM 164 CA VAL A 14 -0.509 -1.163 3.213 1.00 0.00 C ATOM 165 C VAL A 14 -1.165 -1.988 4.315 1.00 0.00 C ATOM 166 O VAL A 14 -0.619 -2.128 5.408 1.00 0.00 O ATOM 167 CB VAL A 14 0.747 -1.901 2.713 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.367 -3.218 2.055 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.533 -1.022 1.752 1.00 0.00 C ATOM 0 H VAL A 14 0.800 0.327 3.892 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.207 -1.048 2.384 1.00 0.00 H new ATOM 0 HB VAL A 14 1.383 -2.122 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.268 -3.725 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.150 -3.850 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.290 -3.025 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.417 -1.559 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.907 -0.768 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.839 -0.108 2.262 1.00 0.00 H new ATOM 179 N MET A 15 -2.340 -2.534 4.018 1.00 0.00 N ATOM 180 CA MET A 15 -3.070 -3.348 4.983 1.00 0.00 C ATOM 181 C MET A 15 -2.671 -4.816 4.869 1.00 0.00 C ATOM 182 O MET A 15 -2.707 -5.557 5.851 1.00 0.00 O ATOM 183 CB MET A 15 -4.578 -3.199 4.771 1.00 0.00 C ATOM 184 CG MET A 15 -4.999 -1.795 4.369 1.00 0.00 C ATOM 185 SD MET A 15 -6.750 -1.483 4.669 1.00 0.00 S ATOM 186 CE MET A 15 -7.466 -2.064 3.134 1.00 0.00 C ATOM 0 H MET A 15 -2.807 -2.428 3.117 1.00 0.00 H new ATOM 0 HA MET A 15 -2.815 -2.997 5.983 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.899 -3.900 4.001 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.095 -3.475 5.690 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.404 -1.069 4.923 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.783 -1.644 3.311 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.353 -1.476 2.901 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.738 -1.957 2.330 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.743 -3.113 3.236 1.00 0.00 H new ATOM 196 N TYR A 16 -2.291 -5.229 3.665 1.00 0.00 N ATOM 197 CA TYR A 16 -1.888 -6.609 3.422 1.00 0.00 C ATOM 198 C TYR A 16 -0.664 -6.667 2.514 1.00 0.00 C ATOM 199 O TYR A 16 -0.516 -5.855 1.600 1.00 0.00 O ATOM 200 CB TYR A 16 -3.040 -7.396 2.796 1.00 0.00 C ATOM 201 CG TYR A 16 -4.388 -7.085 3.405 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.812 -7.720 4.566 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.239 -6.154 2.820 1.00 0.00 C ATOM 204 CE1 TYR A 16 -6.043 -7.439 5.126 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.471 -5.866 3.374 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.869 -6.511 4.526 1.00 0.00 C ATOM 207 OH TYR A 16 -8.096 -6.227 5.081 1.00 0.00 O ATOM 0 H TYR A 16 -2.254 -4.628 2.842 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.628 -7.059 4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.076 -7.183 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.840 -8.462 2.902 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.168 -8.446 5.039 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.931 -5.647 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.357 -7.943 6.028 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.119 -5.139 2.907 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.553 -5.552 4.537 1.00 0.00 H new ATOM 217 N ASP A 17 0.210 -7.634 2.771 1.00 0.00 N ATOM 218 CA ASP A 17 1.421 -7.801 1.976 1.00 0.00 C ATOM 219 C ASP A 17 1.079 -8.129 0.526 1.00 0.00 C ATOM 220 O ASP A 17 0.409 -9.123 0.245 1.00 0.00 O ATOM 221 CB ASP A 17 2.297 -8.906 2.569 1.00 0.00 C ATOM 222 CG ASP A 17 1.485 -10.089 3.059 1.00 0.00 C ATOM 223 OD1 ASP A 17 0.357 -10.281 2.559 1.00 0.00 O ATOM 224 OD2 ASP A 17 1.976 -10.821 3.944 1.00 0.00 O ATOM 0 H ASP A 17 0.102 -8.314 3.524 1.00 0.00 H new ATOM 0 HA ASP A 17 1.972 -6.861 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.009 -9.245 1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.878 -8.500 3.397 1.00 0.00 H new ATOM 229 N PHE A 18 1.542 -7.286 -0.391 1.00 0.00 N ATOM 230 CA PHE A 18 1.283 -7.484 -1.812 1.00 0.00 C ATOM 231 C PHE A 18 2.586 -7.694 -2.578 1.00 0.00 C ATOM 232 O PHE A 18 3.542 -6.937 -2.416 1.00 0.00 O ATOM 233 CB PHE A 18 0.527 -6.284 -2.387 1.00 0.00 C ATOM 234 CG PHE A 18 0.444 -6.291 -3.887 1.00 0.00 C ATOM 235 CD1 PHE A 18 1.551 -5.971 -4.656 1.00 0.00 C ATOM 236 CD2 PHE A 18 -0.741 -6.617 -4.526 1.00 0.00 C ATOM 237 CE1 PHE A 18 1.477 -5.976 -6.036 1.00 0.00 C ATOM 238 CE2 PHE A 18 -0.821 -6.624 -5.906 1.00 0.00 C ATOM 239 CZ PHE A 18 0.290 -6.304 -6.662 1.00 0.00 C ATOM 0 H PHE A 18 2.099 -6.459 -0.175 1.00 0.00 H new ATOM 0 HA PHE A 18 0.669 -8.378 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.482 -6.269 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.017 -5.366 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.482 -5.715 -4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.612 -6.869 -3.939 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.347 -5.724 -6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.751 -6.879 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.231 -6.310 -7.740 1.00 0.00 H new ATOM 249 N ALA A 19 2.614 -8.728 -3.413 1.00 0.00 N ATOM 250 CA ALA A 19 3.798 -9.037 -4.205 1.00 0.00 C ATOM 251 C ALA A 19 3.527 -8.846 -5.694 1.00 0.00 C ATOM 252 O ALA A 19 2.645 -9.489 -6.261 1.00 0.00 O ATOM 253 CB ALA A 19 4.260 -10.460 -3.929 1.00 0.00 C ATOM 0 H ALA A 19 1.831 -9.365 -3.558 1.00 0.00 H new ATOM 0 HA ALA A 19 4.590 -8.347 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.145 -10.678 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.502 -10.565 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.465 -11.158 -4.191 1.00 0.00 H new ATOM 259 N ALA A 20 4.292 -7.957 -6.320 1.00 0.00 N ATOM 260 CA ALA A 20 4.135 -7.683 -7.743 1.00 0.00 C ATOM 261 C ALA A 20 4.909 -8.691 -8.585 1.00 0.00 C ATOM 262 O ALA A 20 6.137 -8.641 -8.655 1.00 0.00 O ATOM 263 CB ALA A 20 4.591 -6.266 -8.060 1.00 0.00 C ATOM 0 H ALA A 20 5.026 -7.415 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 20 3.078 -7.778 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.469 -6.074 -9.126 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.991 -5.555 -7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.641 -6.152 -7.789 1.00 0.00 H new ATOM 269 N GLU A 21 4.184 -9.605 -9.221 1.00 0.00 N ATOM 270 CA GLU A 21 4.805 -10.626 -10.057 1.00 0.00 C ATOM 271 C GLU A 21 5.643 -9.988 -11.161 1.00 0.00 C ATOM 272 O GLU A 21 5.273 -8.972 -11.749 1.00 0.00 O ATOM 273 CB GLU A 21 3.736 -11.532 -10.672 1.00 0.00 C ATOM 274 CG GLU A 21 3.148 -12.532 -9.691 1.00 0.00 C ATOM 275 CD GLU A 21 2.617 -11.871 -8.433 1.00 0.00 C ATOM 276 OE1 GLU A 21 1.698 -11.033 -8.546 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.121 -12.192 -7.336 1.00 0.00 O ATOM 0 H GLU A 21 3.167 -9.660 -9.174 1.00 0.00 H new ATOM 0 HA GLU A 21 5.461 -11.226 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.933 -10.913 -11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.170 -12.073 -11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.341 -13.081 -10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.911 -13.261 -9.420 1.00 0.00 H new ATOM 284 N PRO A 22 6.802 -10.599 -11.450 1.00 0.00 N ATOM 285 CA PRO A 22 7.718 -10.109 -12.485 1.00 0.00 C ATOM 286 C PRO A 22 7.157 -10.294 -13.891 1.00 0.00 C ATOM 287 O PRO A 22 7.362 -11.331 -14.520 1.00 0.00 O ATOM 288 CB PRO A 22 8.968 -10.972 -12.290 1.00 0.00 C ATOM 289 CG PRO A 22 8.468 -12.223 -11.654 1.00 0.00 C ATOM 290 CD PRO A 22 7.308 -11.814 -10.790 1.00 0.00 C ATOM 0 HA PRO A 22 7.903 -9.039 -12.392 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.458 -11.180 -13.241 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.700 -10.471 -11.657 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.157 -12.946 -12.408 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.249 -12.698 -11.060 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.547 -12.593 -10.744 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.621 -11.614 -9.765 1.00 0.00 H new ATOM 298 N GLY A 23 6.449 -9.280 -14.379 1.00 0.00 N ATOM 299 CA GLY A 23 5.869 -9.352 -15.707 1.00 0.00 C ATOM 300 C GLY A 23 4.742 -8.357 -15.903 1.00 0.00 C ATOM 301 O GLY A 23 4.501 -7.893 -17.016 1.00 0.00 O ATOM 0 H GLY A 23 6.267 -8.410 -13.878 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.645 -9.168 -16.450 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.494 -10.360 -15.882 1.00 0.00 H new ATOM 305 N ASN A 24 4.050 -8.029 -14.817 1.00 0.00 N ATOM 306 CA ASN A 24 2.940 -7.085 -14.875 1.00 0.00 C ATOM 307 C ASN A 24 3.323 -5.755 -14.233 1.00 0.00 C ATOM 308 O ASN A 24 4.186 -5.703 -13.356 1.00 0.00 O ATOM 309 CB ASN A 24 1.711 -7.667 -14.173 1.00 0.00 C ATOM 310 CG ASN A 24 0.927 -8.608 -15.067 1.00 0.00 C ATOM 311 OD1 ASN A 24 0.318 -8.185 -16.050 1.00 0.00 O ATOM 312 ND2 ASN A 24 0.938 -9.892 -14.729 1.00 0.00 N ATOM 0 H ASN A 24 4.238 -8.403 -13.887 1.00 0.00 H new ATOM 0 HA ASN A 24 2.701 -6.907 -15.924 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.027 -8.200 -13.276 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.062 -6.854 -13.848 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.428 -10.572 -15.293 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.456 -10.198 -13.906 1.00 0.00 H new ATOM 319 N ASN A 25 2.676 -4.682 -14.675 1.00 0.00 N ATOM 320 CA ASN A 25 2.949 -3.351 -14.144 1.00 0.00 C ATOM 321 C ASN A 25 2.464 -3.231 -12.702 1.00 0.00 C ATOM 322 O ASN A 25 1.494 -2.528 -12.420 1.00 0.00 O ATOM 323 CB ASN A 25 2.276 -2.285 -15.011 1.00 0.00 C ATOM 324 CG ASN A 25 3.023 -0.966 -14.988 1.00 0.00 C ATOM 325 OD1 ASN A 25 4.254 -0.937 -14.954 1.00 0.00 O ATOM 326 ND2 ASN A 25 2.281 0.135 -15.008 1.00 0.00 N ATOM 0 H ASN A 25 1.959 -4.708 -15.400 1.00 0.00 H new ATOM 0 HA ASN A 25 4.028 -3.195 -14.160 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.210 -2.644 -16.038 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.255 -2.128 -14.662 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.728 1.052 -14.995 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.264 0.064 -15.036 1.00 0.00 H new ATOM 333 N GLU A 26 3.146 -3.923 -11.794 1.00 0.00 N ATOM 334 CA GLU A 26 2.783 -3.893 -10.382 1.00 0.00 C ATOM 335 C GLU A 26 4.014 -3.661 -9.509 1.00 0.00 C ATOM 336 O GLU A 26 5.141 -3.945 -9.918 1.00 0.00 O ATOM 337 CB GLU A 26 2.098 -5.201 -9.981 1.00 0.00 C ATOM 338 CG GLU A 26 0.800 -5.461 -10.725 1.00 0.00 C ATOM 339 CD GLU A 26 0.095 -6.716 -10.247 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.588 -7.823 -10.545 1.00 0.00 O ATOM 341 OE2 GLU A 26 -0.951 -6.590 -9.575 1.00 0.00 O ATOM 0 H GLU A 26 3.951 -4.510 -12.011 1.00 0.00 H new ATOM 0 HA GLU A 26 2.089 -3.067 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.783 -6.030 -10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.896 -5.182 -8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.136 -4.606 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.008 -5.549 -11.791 1.00 0.00 H new ATOM 348 N LEU A 27 3.789 -3.145 -8.307 1.00 0.00 N ATOM 349 CA LEU A 27 4.879 -2.874 -7.375 1.00 0.00 C ATOM 350 C LEU A 27 4.794 -3.789 -6.157 1.00 0.00 C ATOM 351 O LEU A 27 3.705 -4.158 -5.719 1.00 0.00 O ATOM 352 CB LEU A 27 4.845 -1.411 -6.931 1.00 0.00 C ATOM 353 CG LEU A 27 6.045 -0.929 -6.115 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.276 -0.802 -7.000 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.732 0.399 -5.439 1.00 0.00 C ATOM 0 H LEU A 27 2.863 -2.906 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 27 5.820 -3.069 -7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.760 -0.785 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.942 -1.252 -6.341 1.00 0.00 H new ATOM 0 HG LEU A 27 6.254 -1.667 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.120 -0.458 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.512 -1.773 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.079 -0.084 -7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.597 0.727 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.496 1.146 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.878 0.276 -4.773 1.00 0.00 H new ATOM 367 N THR A 28 5.952 -4.151 -5.613 1.00 0.00 N ATOM 368 CA THR A 28 6.010 -5.021 -4.446 1.00 0.00 C ATOM 369 C THR A 28 5.953 -4.213 -3.155 1.00 0.00 C ATOM 370 O THR A 28 6.848 -3.418 -2.868 1.00 0.00 O ATOM 371 CB THR A 28 7.290 -5.878 -4.447 1.00 0.00 C ATOM 372 OG1 THR A 28 7.451 -6.517 -5.718 1.00 0.00 O ATOM 373 CG2 THR A 28 7.238 -6.929 -3.348 1.00 0.00 C ATOM 0 H THR A 28 6.863 -3.854 -5.963 1.00 0.00 H new ATOM 0 HA THR A 28 5.142 -5.678 -4.498 1.00 0.00 H new ATOM 0 HB THR A 28 8.140 -5.222 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.268 -7.058 -5.711 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.152 -7.522 -3.368 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.145 -6.438 -2.379 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.379 -7.581 -3.508 1.00 0.00 H new ATOM 381 N VAL A 29 4.896 -4.423 -2.377 1.00 0.00 N ATOM 382 CA VAL A 29 4.723 -3.716 -1.114 1.00 0.00 C ATOM 383 C VAL A 29 4.455 -4.688 0.029 1.00 0.00 C ATOM 384 O VAL A 29 4.211 -5.875 -0.194 1.00 0.00 O ATOM 385 CB VAL A 29 3.567 -2.701 -1.192 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.825 -1.680 -2.290 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.244 -3.418 -1.420 1.00 0.00 C ATOM 0 H VAL A 29 4.146 -5.078 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 29 5.653 -3.182 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 29 3.508 -2.170 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.998 -0.972 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.751 -1.145 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.912 -2.191 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.438 -2.686 -1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.289 -3.976 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.056 -4.106 -0.596 1.00 0.00 H new ATOM 397 N THR A 30 4.500 -4.178 1.256 1.00 0.00 N ATOM 398 CA THR A 30 4.262 -5.001 2.435 1.00 0.00 C ATOM 399 C THR A 30 3.409 -4.262 3.459 1.00 0.00 C ATOM 400 O THR A 30 3.420 -3.033 3.517 1.00 0.00 O ATOM 401 CB THR A 30 5.585 -5.428 3.098 1.00 0.00 C ATOM 402 OG1 THR A 30 5.323 -6.325 4.183 1.00 0.00 O ATOM 403 CG2 THR A 30 6.350 -4.216 3.609 1.00 0.00 C ATOM 0 H THR A 30 4.699 -3.198 1.459 1.00 0.00 H new ATOM 0 HA THR A 30 3.730 -5.890 2.097 1.00 0.00 H new ATOM 0 HB THR A 30 6.194 -5.933 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.170 -6.593 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.281 -4.542 4.073 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.574 -3.549 2.776 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.744 -3.687 4.344 1.00 0.00 H new ATOM 411 N GLU A 31 2.672 -5.019 4.266 1.00 0.00 N ATOM 412 CA GLU A 31 1.813 -4.433 5.289 1.00 0.00 C ATOM 413 C GLU A 31 2.632 -3.618 6.286 1.00 0.00 C ATOM 414 O GLU A 31 3.441 -4.165 7.035 1.00 0.00 O ATOM 415 CB GLU A 31 1.037 -5.528 6.023 1.00 0.00 C ATOM 416 CG GLU A 31 0.312 -5.033 7.263 1.00 0.00 C ATOM 417 CD GLU A 31 -0.270 -6.164 8.089 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.701 -7.173 7.494 1.00 0.00 O ATOM 419 OE2 GLU A 31 -0.294 -6.038 9.331 1.00 0.00 O ATOM 0 H GLU A 31 2.652 -6.038 4.231 1.00 0.00 H new ATOM 0 HA GLU A 31 1.106 -3.766 4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.311 -5.968 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.727 -6.322 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.004 -4.457 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.489 -4.356 6.965 1.00 0.00 H new ATOM 426 N GLY A 32 2.416 -2.306 6.289 1.00 0.00 N ATOM 427 CA GLY A 32 3.141 -1.437 7.197 1.00 0.00 C ATOM 428 C GLY A 32 4.090 -0.504 6.471 1.00 0.00 C ATOM 429 O GLY A 32 4.548 0.488 7.038 1.00 0.00 O ATOM 0 H GLY A 32 1.752 -1.830 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.430 -0.848 7.777 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.704 -2.045 7.905 1.00 0.00 H new ATOM 433 N GLU A 33 4.387 -0.823 5.216 1.00 0.00 N ATOM 434 CA GLU A 33 5.291 -0.006 4.414 1.00 0.00 C ATOM 435 C GLU A 33 4.551 1.178 3.797 1.00 0.00 C ATOM 436 O GLU A 33 3.488 1.014 3.196 1.00 0.00 O ATOM 437 CB GLU A 33 5.935 -0.850 3.312 1.00 0.00 C ATOM 438 CG GLU A 33 6.664 -0.027 2.263 1.00 0.00 C ATOM 439 CD GLU A 33 7.719 -0.827 1.524 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.744 -1.177 2.147 1.00 0.00 O ATOM 441 OE2 GLU A 33 7.520 -1.104 0.323 1.00 0.00 O ATOM 0 H GLU A 33 4.016 -1.641 4.732 1.00 0.00 H new ATOM 0 HA GLU A 33 6.072 0.378 5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.637 -1.550 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.163 -1.445 2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.942 0.364 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.134 0.832 2.742 1.00 0.00 H new ATOM 448 N ILE A 34 5.120 2.368 3.950 1.00 0.00 N ATOM 449 CA ILE A 34 4.516 3.579 3.408 1.00 0.00 C ATOM 450 C ILE A 34 5.168 3.975 2.088 1.00 0.00 C ATOM 451 O ILE A 34 6.393 3.998 1.971 1.00 0.00 O ATOM 452 CB ILE A 34 4.627 4.755 4.396 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.942 4.405 5.718 1.00 0.00 C ATOM 454 CG2 ILE A 34 4.018 6.012 3.794 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.495 3.993 5.559 1.00 0.00 C ATOM 0 H ILE A 34 5.999 2.520 4.445 1.00 0.00 H new ATOM 0 HA ILE A 34 3.463 3.357 3.238 1.00 0.00 H new ATOM 0 HB ILE A 34 5.682 4.945 4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.491 3.595 6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.995 5.266 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.104 6.834 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.547 6.269 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.966 5.835 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.074 3.759 6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.932 4.809 5.107 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.436 3.113 4.919 1.00 0.00 H new ATOM 467 N ILE A 35 4.341 4.289 1.096 1.00 0.00 N ATOM 468 CA ILE A 35 4.837 4.687 -0.215 1.00 0.00 C ATOM 469 C ILE A 35 4.221 6.010 -0.657 1.00 0.00 C ATOM 470 O ILE A 35 3.334 6.548 0.006 1.00 0.00 O ATOM 471 CB ILE A 35 4.540 3.614 -1.280 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.039 3.322 -1.335 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.322 2.344 -0.984 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.585 2.737 -2.654 1.00 0.00 C ATOM 0 H ILE A 35 3.324 4.275 1.176 1.00 0.00 H new ATOM 0 HA ILE A 35 5.917 4.804 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 35 4.854 3.991 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.782 2.631 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.490 4.245 -1.148 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.102 1.595 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.389 2.564 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.036 1.961 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.511 2.556 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.810 3.436 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.106 1.797 -2.834 1.00 0.00 H new ATOM 486 N THR A 36 4.696 6.531 -1.785 1.00 0.00 N ATOM 487 CA THR A 36 4.193 7.791 -2.317 1.00 0.00 C ATOM 488 C THR A 36 3.146 7.551 -3.399 1.00 0.00 C ATOM 489 O THR A 36 3.356 6.755 -4.315 1.00 0.00 O ATOM 490 CB THR A 36 5.331 8.649 -2.900 1.00 0.00 C ATOM 491 OG1 THR A 36 6.463 8.623 -2.023 1.00 0.00 O ATOM 492 CG2 THR A 36 4.875 10.086 -3.104 1.00 0.00 C ATOM 0 H THR A 36 5.429 6.099 -2.348 1.00 0.00 H new ATOM 0 HA THR A 36 3.736 8.326 -1.485 1.00 0.00 H new ATOM 0 HB THR A 36 5.611 8.232 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.183 9.170 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.696 10.673 -3.517 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.032 10.106 -3.794 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.570 10.510 -2.147 1.00 0.00 H new ATOM 500 N VAL A 37 2.018 8.245 -3.289 1.00 0.00 N ATOM 501 CA VAL A 37 0.939 8.110 -4.260 1.00 0.00 C ATOM 502 C VAL A 37 1.084 9.125 -5.388 1.00 0.00 C ATOM 503 O VAL A 37 1.117 10.333 -5.152 1.00 0.00 O ATOM 504 CB VAL A 37 -0.439 8.289 -3.596 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.553 8.057 -4.606 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.583 7.353 -2.407 1.00 0.00 C ATOM 0 H VAL A 37 1.828 8.907 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 37 1.008 7.103 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.518 9.314 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.519 8.188 -4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.459 8.773 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.480 7.044 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.563 7.493 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.483 6.321 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.194 7.573 -1.675 1.00 0.00 H new ATOM 516 N THR A 38 1.169 8.626 -6.618 1.00 0.00 N ATOM 517 CA THR A 38 1.311 9.489 -7.784 1.00 0.00 C ATOM 518 C THR A 38 0.049 9.471 -8.639 1.00 0.00 C ATOM 519 O THR A 38 -0.446 10.518 -9.054 1.00 0.00 O ATOM 520 CB THR A 38 2.511 9.067 -8.653 1.00 0.00 C ATOM 521 OG1 THR A 38 2.458 7.660 -8.911 1.00 0.00 O ATOM 522 CG2 THR A 38 3.824 9.412 -7.966 1.00 0.00 C ATOM 0 H THR A 38 1.142 7.629 -6.832 1.00 0.00 H new ATOM 0 HA THR A 38 1.479 10.499 -7.410 1.00 0.00 H new ATOM 0 HB THR A 38 2.458 9.611 -9.596 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.824 7.238 -8.294 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.657 9.105 -8.598 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.874 10.488 -7.797 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.882 8.891 -7.010 1.00 0.00 H new ATOM 530 N ASN A 39 -0.468 8.274 -8.897 1.00 0.00 N ATOM 531 CA ASN A 39 -1.674 8.120 -9.702 1.00 0.00 C ATOM 532 C ASN A 39 -2.756 7.377 -8.925 1.00 0.00 C ATOM 533 O ASN A 39 -2.959 6.173 -9.090 1.00 0.00 O ATOM 534 CB ASN A 39 -1.355 7.370 -10.997 1.00 0.00 C ATOM 535 CG ASN A 39 -2.298 7.741 -12.126 1.00 0.00 C ATOM 536 OD1 ASN A 39 -2.722 8.890 -12.244 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.630 6.765 -12.964 1.00 0.00 N ATOM 0 H ASN A 39 -0.071 7.397 -8.560 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.046 9.115 -9.948 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.330 7.588 -11.297 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.413 6.297 -10.816 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.260 6.954 -13.743 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.255 5.826 -12.828 1.00 0.00 H new ATOM 544 N PRO A 40 -3.470 8.109 -8.057 1.00 0.00 N ATOM 545 CA PRO A 40 -4.545 7.541 -7.237 1.00 0.00 C ATOM 546 C PRO A 40 -5.765 7.156 -8.067 1.00 0.00 C ATOM 547 O PRO A 40 -6.630 6.412 -7.607 1.00 0.00 O ATOM 548 CB PRO A 40 -4.892 8.675 -6.270 1.00 0.00 C ATOM 549 CG PRO A 40 -4.485 9.918 -6.984 1.00 0.00 C ATOM 550 CD PRO A 40 -3.284 9.548 -7.809 1.00 0.00 C ATOM 0 HA PRO A 40 -4.236 6.620 -6.742 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.956 8.684 -6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.358 8.568 -5.326 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.293 10.288 -7.615 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.243 10.712 -6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.246 10.114 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.354 9.747 -7.276 1.00 0.00 H new ATOM 558 N ASN A 41 -5.827 7.668 -9.292 1.00 0.00 N ATOM 559 CA ASN A 41 -6.942 7.377 -10.186 1.00 0.00 C ATOM 560 C ASN A 41 -6.443 6.820 -11.516 1.00 0.00 C ATOM 561 O ASN A 41 -6.566 7.466 -12.557 1.00 0.00 O ATOM 562 CB ASN A 41 -7.771 8.641 -10.428 1.00 0.00 C ATOM 563 CG ASN A 41 -8.955 8.389 -11.341 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.214 7.253 -11.741 1.00 0.00 O ATOM 565 ND2 ASN A 41 -9.681 9.449 -11.675 1.00 0.00 N ATOM 0 H ASN A 41 -5.119 8.286 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.570 6.624 -9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.128 9.027 -9.473 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.135 9.411 -10.866 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.490 9.341 -12.286 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.430 10.372 -11.320 1.00 0.00 H new ATOM 572 N VAL A 42 -5.879 5.618 -11.472 1.00 0.00 N ATOM 573 CA VAL A 42 -5.362 4.972 -12.673 1.00 0.00 C ATOM 574 C VAL A 42 -6.430 4.895 -13.759 1.00 0.00 C ATOM 575 O VAL A 42 -6.331 5.559 -14.790 1.00 0.00 O ATOM 576 CB VAL A 42 -4.849 3.552 -12.371 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.337 2.887 -13.640 1.00 0.00 C ATOM 578 CG2 VAL A 42 -3.765 3.593 -11.305 1.00 0.00 C ATOM 0 H VAL A 42 -5.768 5.071 -10.618 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.531 5.582 -13.027 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.679 2.958 -11.989 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.979 1.884 -13.406 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.145 2.823 -14.369 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.520 3.477 -14.055 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.414 2.581 -11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.933 4.203 -11.656 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.171 4.025 -10.390 1.00 0.00 H new ATOM 588 N GLY A 43 -7.452 4.080 -13.519 1.00 0.00 N ATOM 589 CA GLY A 43 -8.525 3.931 -14.485 1.00 0.00 C ATOM 590 C GLY A 43 -9.276 2.624 -14.320 1.00 0.00 C ATOM 591 O GLY A 43 -9.687 2.009 -15.303 1.00 0.00 O ATOM 0 H GLY A 43 -7.556 3.520 -12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.222 4.763 -14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.113 3.985 -15.493 1.00 0.00 H new ATOM 595 N GLY A 44 -9.454 2.198 -13.073 1.00 0.00 N ATOM 596 CA GLY A 44 -10.158 0.958 -12.806 1.00 0.00 C ATOM 597 C GLY A 44 -10.127 0.578 -11.339 1.00 0.00 C ATOM 598 O GLY A 44 -10.144 -0.604 -10.997 1.00 0.00 O ATOM 0 H GLY A 44 -9.123 2.690 -12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.194 1.055 -13.131 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.712 0.157 -13.395 1.00 0.00 H new ATOM 602 N GLY A 45 -10.080 1.582 -10.470 1.00 0.00 N ATOM 603 CA GLY A 45 -10.045 1.326 -9.042 1.00 0.00 C ATOM 604 C GLY A 45 -8.656 0.969 -8.550 1.00 0.00 C ATOM 605 O GLY A 45 -8.502 0.372 -7.485 1.00 0.00 O ATOM 0 H GLY A 45 -10.066 2.568 -10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.400 2.208 -8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.731 0.513 -8.805 1.00 0.00 H new ATOM 609 N TRP A 46 -7.644 1.333 -9.328 1.00 0.00 N ATOM 610 CA TRP A 46 -6.260 1.046 -8.967 1.00 0.00 C ATOM 611 C TRP A 46 -5.444 2.330 -8.875 1.00 0.00 C ATOM 612 O TRP A 46 -5.746 3.320 -9.543 1.00 0.00 O ATOM 613 CB TRP A 46 -5.631 0.099 -9.990 1.00 0.00 C ATOM 614 CG TRP A 46 -6.068 -1.326 -9.828 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.346 -1.803 -9.889 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.227 -2.457 -9.576 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.350 -3.163 -9.691 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.062 -3.588 -9.497 1.00 0.00 C ATOM 619 CE3 TRP A 46 -3.849 -2.624 -9.412 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.564 -4.866 -9.260 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.356 -3.894 -9.176 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.211 -5.001 -9.103 1.00 0.00 C ATOM 0 H TRP A 46 -7.755 1.828 -10.213 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.258 0.566 -7.988 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.887 0.438 -10.994 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.546 0.151 -9.903 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.224 -1.200 -10.067 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.178 -3.759 -9.689 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.182 -1.777 -9.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.222 -5.721 -9.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.293 -4.035 -9.046 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.795 -5.980 -8.919 1.00 0.00 H new ATOM 633 N LEU A 47 -4.407 2.309 -8.043 1.00 0.00 N ATOM 634 CA LEU A 47 -3.546 3.472 -7.864 1.00 0.00 C ATOM 635 C LEU A 47 -2.105 3.147 -8.244 1.00 0.00 C ATOM 636 O LEU A 47 -1.719 1.980 -8.308 1.00 0.00 O ATOM 637 CB LEU A 47 -3.606 3.957 -6.415 1.00 0.00 C ATOM 638 CG LEU A 47 -2.939 3.055 -5.377 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.451 3.357 -5.284 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.604 3.221 -4.018 1.00 0.00 C ATOM 0 H LEU A 47 -4.143 1.499 -7.482 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.906 4.264 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.142 4.942 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.653 4.083 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.060 2.019 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.993 2.705 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.984 3.185 -6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.308 4.397 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.116 2.571 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.515 4.258 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.658 2.953 -4.093 1.00 0.00 H new ATOM 652 N GLU A 48 -1.315 4.186 -8.494 1.00 0.00 N ATOM 653 CA GLU A 48 0.084 4.010 -8.866 1.00 0.00 C ATOM 654 C GLU A 48 1.005 4.698 -7.862 1.00 0.00 C ATOM 655 O GLU A 48 0.840 5.879 -7.561 1.00 0.00 O ATOM 656 CB GLU A 48 0.335 4.566 -10.269 1.00 0.00 C ATOM 657 CG GLU A 48 1.615 4.052 -10.907 1.00 0.00 C ATOM 658 CD GLU A 48 2.040 4.875 -12.107 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.590 6.034 -12.222 1.00 0.00 O ATOM 660 OE2 GLU A 48 2.823 4.360 -12.932 1.00 0.00 O ATOM 0 H GLU A 48 -1.620 5.158 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 48 0.303 2.942 -8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.509 4.309 -10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.376 5.654 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.414 4.058 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.473 3.016 -11.214 1.00 0.00 H new ATOM 667 N GLY A 49 1.975 3.948 -7.347 1.00 0.00 N ATOM 668 CA GLY A 49 2.907 4.502 -6.383 1.00 0.00 C ATOM 669 C GLY A 49 4.351 4.211 -6.740 1.00 0.00 C ATOM 670 O GLY A 49 4.636 3.292 -7.508 1.00 0.00 O ATOM 0 H GLY A 49 2.132 2.967 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.762 5.580 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.690 4.093 -5.396 1.00 0.00 H new ATOM 674 N LYS A 50 5.267 4.996 -6.182 1.00 0.00 N ATOM 675 CA LYS A 50 6.690 4.819 -6.445 1.00 0.00 C ATOM 676 C LYS A 50 7.427 4.388 -5.181 1.00 0.00 C ATOM 677 O LYS A 50 7.137 4.869 -4.087 1.00 0.00 O ATOM 678 CB LYS A 50 7.295 6.117 -6.984 1.00 0.00 C ATOM 679 CG LYS A 50 8.807 6.074 -7.117 1.00 0.00 C ATOM 680 CD LYS A 50 9.313 7.138 -8.076 1.00 0.00 C ATOM 681 CE LYS A 50 9.154 8.534 -7.495 1.00 0.00 C ATOM 682 NZ LYS A 50 7.730 8.969 -7.478 1.00 0.00 N ATOM 0 H LYS A 50 5.049 5.761 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 50 6.801 4.035 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.859 6.334 -7.959 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.020 6.938 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.263 6.219 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.114 5.089 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.363 6.955 -8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.767 7.070 -9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.551 8.552 -6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.742 9.240 -8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.667 9.963 -7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.178 8.376 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.349 8.872 -6.515 1.00 0.00 H new ATOM 696 N ASN A 51 8.384 3.479 -5.341 1.00 0.00 N ATOM 697 CA ASN A 51 9.164 2.984 -4.212 1.00 0.00 C ATOM 698 C ASN A 51 10.519 3.681 -4.140 1.00 0.00 C ATOM 699 O ASN A 51 10.885 4.444 -5.034 1.00 0.00 O ATOM 700 CB ASN A 51 9.361 1.471 -4.325 1.00 0.00 C ATOM 701 CG ASN A 51 10.596 1.108 -5.126 1.00 0.00 C ATOM 702 OD1 ASN A 51 11.638 0.772 -4.563 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.485 1.174 -6.448 1.00 0.00 N ATOM 0 H ASN A 51 8.638 3.071 -6.241 1.00 0.00 H new ATOM 0 HA ASN A 51 8.613 3.204 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.440 1.042 -3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.483 1.027 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.283 0.941 -7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.602 1.458 -6.872 1.00 0.00 H new ATOM 710 N ASN A 52 11.261 3.412 -3.071 1.00 0.00 N ATOM 711 CA ASN A 52 12.576 4.013 -2.882 1.00 0.00 C ATOM 712 C ASN A 52 13.391 3.953 -4.170 1.00 0.00 C ATOM 713 O ASN A 52 13.791 4.983 -4.714 1.00 0.00 O ATOM 714 CB ASN A 52 13.329 3.300 -1.756 1.00 0.00 C ATOM 715 CG ASN A 52 12.774 3.639 -0.386 1.00 0.00 C ATOM 716 OD1 ASN A 52 11.820 4.407 -0.262 1.00 0.00 O ATOM 717 ND2 ASN A 52 13.371 3.065 0.652 1.00 0.00 N ATOM 0 H ASN A 52 10.974 2.782 -2.322 1.00 0.00 H new ATOM 0 HA ASN A 52 12.434 5.059 -2.610 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.274 2.222 -1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.383 3.575 -1.796 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.042 3.254 1.599 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.159 2.435 0.503 1.00 0.00 H new ATOM 724 N LYS A 53 13.634 2.740 -4.655 1.00 0.00 N ATOM 725 CA LYS A 53 14.400 2.544 -5.880 1.00 0.00 C ATOM 726 C LYS A 53 13.983 3.550 -6.949 1.00 0.00 C ATOM 727 O LYS A 53 14.757 3.870 -7.849 1.00 0.00 O ATOM 728 CB LYS A 53 14.208 1.119 -6.403 1.00 0.00 C ATOM 729 CG LYS A 53 15.187 0.118 -5.815 1.00 0.00 C ATOM 730 CD LYS A 53 14.994 -0.035 -4.315 1.00 0.00 C ATOM 731 CE LYS A 53 15.888 -1.127 -3.747 1.00 0.00 C ATOM 732 NZ LYS A 53 15.328 -2.485 -3.989 1.00 0.00 N ATOM 0 H LYS A 53 13.311 1.877 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 53 15.454 2.701 -5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.192 0.794 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.312 1.122 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.056 -0.849 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.207 0.442 -6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.214 0.911 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.951 -0.270 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.878 -1.057 -4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.014 -0.972 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.967 -3.201 -3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.394 -2.561 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 15.231 -2.643 -5.012 1.00 0.00 H new ATOM 746 N GLY A 54 12.754 4.046 -6.841 1.00 0.00 N ATOM 747 CA GLY A 54 12.257 5.011 -7.804 1.00 0.00 C ATOM 748 C GLY A 54 11.394 4.371 -8.873 1.00 0.00 C ATOM 749 O GLY A 54 11.094 4.994 -9.891 1.00 0.00 O ATOM 0 H GLY A 54 12.094 3.797 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.679 5.774 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.100 5.516 -8.276 1.00 0.00 H new ATOM 753 N GLU A 55 10.995 3.124 -8.642 1.00 0.00 N ATOM 754 CA GLU A 55 10.164 2.400 -9.596 1.00 0.00 C ATOM 755 C GLU A 55 8.684 2.562 -9.261 1.00 0.00 C ATOM 756 O GLU A 55 8.315 2.720 -8.098 1.00 0.00 O ATOM 757 CB GLU A 55 10.536 0.916 -9.607 1.00 0.00 C ATOM 758 CG GLU A 55 11.993 0.656 -9.951 1.00 0.00 C ATOM 759 CD GLU A 55 12.271 0.770 -11.438 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.793 -0.098 -12.199 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.965 1.727 -11.840 1.00 0.00 O ATOM 0 H GLU A 55 11.234 2.595 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 55 10.343 2.819 -10.586 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.321 0.489 -8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.903 0.397 -10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.622 1.365 -9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.271 -0.341 -9.609 1.00 0.00 H new ATOM 768 N GLN A 56 7.842 2.521 -10.289 1.00 0.00 N ATOM 769 CA GLN A 56 6.403 2.665 -10.104 1.00 0.00 C ATOM 770 C GLN A 56 5.673 1.388 -10.505 1.00 0.00 C ATOM 771 O GLN A 56 6.166 0.607 -11.318 1.00 0.00 O ATOM 772 CB GLN A 56 5.878 3.845 -10.922 1.00 0.00 C ATOM 773 CG GLN A 56 6.044 5.188 -10.229 1.00 0.00 C ATOM 774 CD GLN A 56 7.408 5.804 -10.470 1.00 0.00 C ATOM 775 OE1 GLN A 56 8.438 5.181 -10.211 1.00 0.00 O ATOM 776 NE2 GLN A 56 7.422 7.035 -10.968 1.00 0.00 N ATOM 0 H GLN A 56 8.132 2.389 -11.258 1.00 0.00 H new ATOM 0 HA GLN A 56 6.215 2.853 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.398 3.873 -11.879 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.822 3.685 -11.138 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.273 5.873 -10.582 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.891 5.061 -9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.544 7.514 -11.168 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.311 7.501 -11.151 1.00 0.00 H new ATOM 785 N GLY A 57 4.493 1.180 -9.927 1.00 0.00 N ATOM 786 CA GLY A 57 3.714 -0.004 -10.237 1.00 0.00 C ATOM 787 C GLY A 57 2.258 0.139 -9.839 1.00 0.00 C ATOM 788 O GLY A 57 1.920 0.950 -8.976 1.00 0.00 O ATOM 0 H GLY A 57 4.063 1.811 -9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.777 -0.207 -11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.145 -0.863 -9.724 1.00 0.00 H new ATOM 792 N LEU A 58 1.394 -0.649 -10.469 1.00 0.00 N ATOM 793 CA LEU A 58 -0.035 -0.605 -10.177 1.00 0.00 C ATOM 794 C LEU A 58 -0.358 -1.406 -8.919 1.00 0.00 C ATOM 795 O LEU A 58 0.015 -2.573 -8.801 1.00 0.00 O ATOM 796 CB LEU A 58 -0.834 -1.150 -11.362 1.00 0.00 C ATOM 797 CG LEU A 58 -0.724 -0.361 -12.666 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.486 -1.060 -13.780 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.238 1.059 -12.475 1.00 0.00 C ATOM 0 H LEU A 58 1.657 -1.326 -11.185 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.315 0.434 -10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.511 -2.174 -11.552 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.885 -1.195 -11.076 1.00 0.00 H new ATOM 0 HG LEU A 58 0.327 -0.311 -12.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.396 -0.483 -14.700 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.072 -2.056 -13.934 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.538 -1.143 -13.505 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.152 1.606 -13.414 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.283 1.029 -12.167 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.647 1.560 -11.708 1.00 0.00 H new ATOM 811 N VAL A 59 -1.056 -0.771 -7.983 1.00 0.00 N ATOM 812 CA VAL A 59 -1.433 -1.425 -6.736 1.00 0.00 C ATOM 813 C VAL A 59 -2.921 -1.253 -6.453 1.00 0.00 C ATOM 814 O VAL A 59 -3.498 -0.185 -6.657 1.00 0.00 O ATOM 815 CB VAL A 59 -0.629 -0.869 -5.545 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.096 -1.501 -4.243 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.860 -1.099 -5.755 1.00 0.00 C ATOM 0 H VAL A 59 -1.372 0.195 -8.065 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.208 -2.485 -6.855 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.803 0.205 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.516 -1.096 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.152 -1.280 -4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.954 -2.581 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.413 -0.700 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.054 -2.168 -5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.181 -0.594 -6.666 1.00 0.00 H new ATOM 827 N PRO A 60 -3.560 -2.330 -5.972 1.00 0.00 N ATOM 828 CA PRO A 60 -4.990 -2.324 -5.650 1.00 0.00 C ATOM 829 C PRO A 60 -5.305 -1.469 -4.427 1.00 0.00 C ATOM 830 O PRO A 60 -4.683 -1.618 -3.375 1.00 0.00 O ATOM 831 CB PRO A 60 -5.296 -3.797 -5.366 1.00 0.00 C ATOM 832 CG PRO A 60 -3.993 -4.378 -4.936 1.00 0.00 C ATOM 833 CD PRO A 60 -2.935 -3.636 -5.704 1.00 0.00 C ATOM 0 HA PRO A 60 -5.588 -1.898 -6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.052 -3.901 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.680 -4.300 -6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.849 -4.261 -3.862 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.953 -5.446 -5.149 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.018 -3.531 -5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.672 -4.153 -6.627 1.00 0.00 H new ATOM 841 N THR A 61 -6.276 -0.573 -4.572 1.00 0.00 N ATOM 842 CA THR A 61 -6.674 0.306 -3.480 1.00 0.00 C ATOM 843 C THR A 61 -7.296 -0.485 -2.336 1.00 0.00 C ATOM 844 O THR A 61 -7.506 0.044 -1.244 1.00 0.00 O ATOM 845 CB THR A 61 -7.677 1.374 -3.956 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.927 0.759 -4.287 1.00 0.00 O ATOM 847 CG2 THR A 61 -7.138 2.123 -5.165 1.00 0.00 C ATOM 0 H THR A 61 -6.801 -0.437 -5.436 1.00 0.00 H new ATOM 0 HA THR A 61 -5.769 0.800 -3.126 1.00 0.00 H new ATOM 0 HB THR A 61 -7.827 2.087 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.963 0.589 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.864 2.872 -5.483 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.202 2.615 -4.901 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.962 1.420 -5.979 1.00 0.00 H new ATOM 855 N ASP A 62 -7.588 -1.756 -2.591 1.00 0.00 N ATOM 856 CA ASP A 62 -8.184 -2.622 -1.581 1.00 0.00 C ATOM 857 C ASP A 62 -7.120 -3.163 -0.632 1.00 0.00 C ATOM 858 O ASP A 62 -7.430 -3.625 0.467 1.00 0.00 O ATOM 859 CB ASP A 62 -8.929 -3.780 -2.246 1.00 0.00 C ATOM 860 CG ASP A 62 -8.299 -4.193 -3.562 1.00 0.00 C ATOM 861 OD1 ASP A 62 -8.345 -3.392 -4.519 1.00 0.00 O ATOM 862 OD2 ASP A 62 -7.762 -5.318 -3.635 1.00 0.00 O ATOM 0 H ASP A 62 -7.421 -2.209 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.893 -2.029 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.944 -4.635 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.966 -3.491 -2.418 1.00 0.00 H new ATOM 867 N TYR A 63 -5.865 -3.104 -1.063 1.00 0.00 N ATOM 868 CA TYR A 63 -4.755 -3.592 -0.254 1.00 0.00 C ATOM 869 C TYR A 63 -4.127 -2.458 0.551 1.00 0.00 C ATOM 870 O TYR A 63 -3.304 -2.690 1.436 1.00 0.00 O ATOM 871 CB TYR A 63 -3.696 -4.247 -1.144 1.00 0.00 C ATOM 872 CG TYR A 63 -4.092 -5.616 -1.647 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.150 -5.773 -2.534 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.408 -6.754 -1.236 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.515 -7.023 -2.997 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.766 -8.007 -1.694 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.820 -8.136 -2.574 1.00 0.00 C ATOM 878 OH TYR A 63 -5.180 -9.383 -3.032 1.00 0.00 O ATOM 0 H TYR A 63 -5.591 -2.723 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.146 -4.335 0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.499 -3.598 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.764 -4.330 -0.585 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.697 -4.903 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.582 -6.657 -0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.340 -7.127 -3.686 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.223 -8.881 -1.365 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.589 -10.059 -2.639 1.00 0.00 H new ATOM 888 N VAL A 64 -4.524 -1.228 0.236 1.00 0.00 N ATOM 889 CA VAL A 64 -4.003 -0.057 0.930 1.00 0.00 C ATOM 890 C VAL A 64 -5.101 0.975 1.166 1.00 0.00 C ATOM 891 O VAL A 64 -6.105 1.000 0.455 1.00 0.00 O ATOM 892 CB VAL A 64 -2.857 0.602 0.138 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.912 -0.456 -0.411 1.00 0.00 C ATOM 894 CG2 VAL A 64 -3.413 1.466 -0.983 1.00 0.00 C ATOM 0 H VAL A 64 -5.204 -1.018 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.620 -0.403 1.890 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.292 1.244 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.109 0.027 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.488 -1.029 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.461 -1.125 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.590 1.924 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.002 0.848 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.046 2.247 -0.561 1.00 0.00 H new ATOM 904 N GLU A 65 -4.901 1.824 2.169 1.00 0.00 N ATOM 905 CA GLU A 65 -5.875 2.858 2.499 1.00 0.00 C ATOM 906 C GLU A 65 -5.205 4.225 2.601 1.00 0.00 C ATOM 907 O GLU A 65 -4.631 4.571 3.634 1.00 0.00 O ATOM 908 CB GLU A 65 -6.580 2.524 3.816 1.00 0.00 C ATOM 909 CG GLU A 65 -7.434 3.661 4.354 1.00 0.00 C ATOM 910 CD GLU A 65 -8.609 3.168 5.176 1.00 0.00 C ATOM 911 OE1 GLU A 65 -8.434 2.954 6.393 1.00 0.00 O ATOM 912 OE2 GLU A 65 -9.705 2.998 4.600 1.00 0.00 O ATOM 0 H GLU A 65 -4.074 1.816 2.767 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.614 2.894 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.209 1.646 3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.831 2.258 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.816 4.316 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.803 4.259 3.521 1.00 0.00 H new ATOM 919 N ILE A 66 -5.281 4.996 1.522 1.00 0.00 N ATOM 920 CA ILE A 66 -4.682 6.325 1.489 1.00 0.00 C ATOM 921 C ILE A 66 -5.039 7.120 2.740 1.00 0.00 C ATOM 922 O ILE A 66 -6.198 7.155 3.157 1.00 0.00 O ATOM 923 CB ILE A 66 -5.132 7.115 0.246 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.854 6.311 -1.025 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.428 8.463 0.192 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.122 7.082 -2.299 1.00 0.00 C ATOM 0 H ILE A 66 -5.751 4.724 0.659 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.602 6.183 1.447 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.206 7.290 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.814 5.986 -1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.470 5.411 -1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.756 9.010 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.673 9.037 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.350 8.309 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.903 6.450 -3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.169 7.385 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.487 7.968 -2.329 1.00 0.00 H new ATOM 938 N LEU A 67 -4.037 7.758 3.335 1.00 0.00 N ATOM 939 CA LEU A 67 -4.245 8.555 4.539 1.00 0.00 C ATOM 940 C LEU A 67 -4.528 10.012 4.185 1.00 0.00 C ATOM 941 O LEU A 67 -3.975 10.564 3.235 1.00 0.00 O ATOM 942 CB LEU A 67 -3.020 8.468 5.450 1.00 0.00 C ATOM 943 CG LEU A 67 -2.500 7.061 5.744 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.078 7.118 6.281 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.416 6.349 6.730 1.00 0.00 C ATOM 0 H LEU A 67 -3.073 7.739 3.003 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.111 8.154 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.213 9.044 4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.262 8.949 6.398 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.492 6.496 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.725 6.107 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.429 7.587 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.060 7.701 7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.031 5.349 6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.456 6.913 7.662 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.418 6.275 6.307 1.00 0.00 H new ATOM 957 N PRO A 68 -5.410 10.651 4.969 1.00 0.00 N ATOM 958 CA PRO A 68 -5.784 12.052 4.760 1.00 0.00 C ATOM 959 C PRO A 68 -4.646 13.012 5.090 1.00 0.00 C ATOM 960 O PRO A 68 -3.535 12.587 5.403 1.00 0.00 O ATOM 961 CB PRO A 68 -6.953 12.256 5.727 1.00 0.00 C ATOM 962 CG PRO A 68 -6.741 11.239 6.796 1.00 0.00 C ATOM 963 CD PRO A 68 -6.108 10.054 6.120 1.00 0.00 C ATOM 0 HA PRO A 68 -6.034 12.255 3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.957 13.266 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.911 12.111 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.097 11.629 7.584 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.686 10.963 7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.417 9.534 6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.855 9.326 5.804 1.00 0.00 H new ATOM 971 N ASN A 69 -4.931 14.308 5.019 1.00 0.00 N ATOM 972 CA ASN A 69 -3.931 15.328 5.311 1.00 0.00 C ATOM 973 C ASN A 69 -4.402 16.247 6.433 1.00 0.00 C ATOM 974 O ASN A 69 -5.601 16.467 6.608 1.00 0.00 O ATOM 975 CB ASN A 69 -3.629 16.150 4.056 1.00 0.00 C ATOM 976 CG ASN A 69 -4.752 17.110 3.710 1.00 0.00 C ATOM 977 OD1 ASN A 69 -4.704 18.290 4.059 1.00 0.00 O ATOM 978 ND2 ASN A 69 -5.769 16.607 3.022 1.00 0.00 N ATOM 0 H ASN A 69 -5.847 14.677 4.762 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.020 14.825 5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.707 16.712 4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.458 15.477 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.553 17.205 2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.766 15.623 2.754 1.00 0.00 H new ATOM 985 N ASP A 70 -3.451 16.782 7.192 1.00 0.00 N ATOM 986 CA ASP A 70 -3.768 17.679 8.297 1.00 0.00 C ATOM 987 C ASP A 70 -3.800 19.130 7.827 1.00 0.00 C ATOM 988 O ASP A 70 -2.758 19.743 7.600 1.00 0.00 O ATOM 989 CB ASP A 70 -2.746 17.516 9.423 1.00 0.00 C ATOM 990 CG ASP A 70 -2.930 16.222 10.190 1.00 0.00 C ATOM 991 OD1 ASP A 70 -3.952 16.091 10.896 1.00 0.00 O ATOM 992 OD2 ASP A 70 -2.053 15.340 10.084 1.00 0.00 O ATOM 0 H ASP A 70 -2.454 16.610 7.062 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.757 17.417 8.674 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.740 17.546 9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.830 18.357 10.111 1.00 0.00 H new ATOM 997 N GLY A 71 -5.005 19.673 7.682 1.00 0.00 N ATOM 998 CA GLY A 71 -5.150 21.047 7.238 1.00 0.00 C ATOM 999 C GLY A 71 -4.949 21.199 5.744 1.00 0.00 C ATOM 1000 O GLY A 71 -3.905 20.823 5.209 1.00 0.00 O ATOM 0 H GLY A 71 -5.883 19.186 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.142 21.409 7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.429 21.673 7.764 1.00 0.00 H new ATOM 1004 N LYS A 72 -5.950 21.750 5.066 1.00 0.00 N ATOM 1005 CA LYS A 72 -5.879 21.950 3.624 1.00 0.00 C ATOM 1006 C LYS A 72 -5.377 23.352 3.293 1.00 0.00 C ATOM 1007 O LYS A 72 -5.790 24.332 3.913 1.00 0.00 O ATOM 1008 CB LYS A 72 -7.254 21.727 2.989 1.00 0.00 C ATOM 1009 CG LYS A 72 -7.695 20.273 2.988 1.00 0.00 C ATOM 1010 CD LYS A 72 -9.173 20.139 2.660 1.00 0.00 C ATOM 1011 CE LYS A 72 -9.402 20.016 1.162 1.00 0.00 C ATOM 1012 NZ LYS A 72 -10.764 19.501 0.849 1.00 0.00 N ATOM 0 H LYS A 72 -6.821 22.066 5.493 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.175 21.225 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.993 22.322 3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.234 22.093 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.108 19.714 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.496 19.831 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.581 19.263 3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.712 21.006 3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.266 20.990 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.654 19.348 0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.880 19.432 -0.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.886 18.560 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.478 20.151 1.235 1.00 0.00 H new ATOM 1026 N ASP A 73 -4.485 23.439 2.312 1.00 0.00 N ATOM 1027 CA ASP A 73 -3.928 24.721 1.898 1.00 0.00 C ATOM 1028 C ASP A 73 -5.009 25.616 1.300 1.00 0.00 C ATOM 1029 O ASP A 73 -6.002 25.145 0.745 1.00 0.00 O ATOM 1030 CB ASP A 73 -2.805 24.509 0.881 1.00 0.00 C ATOM 1031 CG ASP A 73 -3.312 23.949 -0.433 1.00 0.00 C ATOM 1032 OD1 ASP A 73 -4.529 23.688 -0.536 1.00 0.00 O ATOM 1033 OD2 ASP A 73 -2.492 23.772 -1.359 1.00 0.00 O ATOM 0 H ASP A 73 -4.133 22.637 1.789 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.521 25.214 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.301 25.458 0.698 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.063 23.829 1.300 1.00 0.00 H new ATOM 1038 N PRO A 74 -4.815 26.938 1.416 1.00 0.00 N ATOM 1039 CA PRO A 74 -5.763 27.926 0.893 1.00 0.00 C ATOM 1040 C PRO A 74 -5.781 27.963 -0.631 1.00 0.00 C ATOM 1041 O PRO A 74 -6.503 28.757 -1.234 1.00 0.00 O ATOM 1042 CB PRO A 74 -5.240 29.251 1.454 1.00 0.00 C ATOM 1043 CG PRO A 74 -3.787 29.018 1.682 1.00 0.00 C ATOM 1044 CD PRO A 74 -3.654 27.570 2.065 1.00 0.00 C ATOM 0 HA PRO A 74 -6.789 27.699 1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.405 30.070 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.749 29.517 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.211 29.238 0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.407 29.667 2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.715 27.145 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.676 27.437 3.147 1.00 0.00 H new ATOM 1052 N PHE A 75 -4.983 27.099 -1.249 1.00 0.00 N ATOM 1053 CA PHE A 75 -4.907 27.033 -2.704 1.00 0.00 C ATOM 1054 C PHE A 75 -6.267 27.323 -3.333 1.00 0.00 C ATOM 1055 O PHE A 75 -6.383 28.162 -4.226 1.00 0.00 O ATOM 1056 CB PHE A 75 -4.410 25.656 -3.148 1.00 0.00 C ATOM 1057 CG PHE A 75 -3.643 25.684 -4.439 1.00 0.00 C ATOM 1058 CD1 PHE A 75 -4.134 26.370 -5.538 1.00 0.00 C ATOM 1059 CD2 PHE A 75 -2.430 25.023 -4.554 1.00 0.00 C ATOM 1060 CE1 PHE A 75 -3.431 26.398 -6.727 1.00 0.00 C ATOM 1061 CE2 PHE A 75 -1.723 25.047 -5.741 1.00 0.00 C ATOM 1062 CZ PHE A 75 -2.224 25.735 -6.829 1.00 0.00 C ATOM 0 H PHE A 75 -4.379 26.434 -0.765 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.201 27.792 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.775 25.238 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.264 24.988 -3.256 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.078 26.889 -5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.033 24.483 -3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.825 26.938 -7.576 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.779 24.528 -5.818 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.673 25.754 -7.758 1.00 0.00 H new ATOM 1072 N SER A 76 -7.292 26.622 -2.860 1.00 0.00 N ATOM 1073 CA SER A 76 -8.643 26.799 -3.379 1.00 0.00 C ATOM 1074 C SER A 76 -9.160 28.203 -3.079 1.00 0.00 C ATOM 1075 O SER A 76 -9.598 28.490 -1.964 1.00 0.00 O ATOM 1076 CB SER A 76 -9.586 25.757 -2.774 1.00 0.00 C ATOM 1077 OG SER A 76 -9.178 24.443 -3.114 1.00 0.00 O ATOM 0 H SER A 76 -7.213 25.926 -2.118 1.00 0.00 H new ATOM 0 HA SER A 76 -8.610 26.665 -4.460 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.606 25.866 -1.690 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.601 25.930 -3.131 1.00 0.00 H new ATOM 0 HG SER A 76 -9.795 23.795 -2.714 1.00 0.00 H new ATOM 1083 N CYS A 77 -9.105 29.073 -4.081 1.00 0.00 N ATOM 1084 CA CYS A 77 -9.567 30.448 -3.926 1.00 0.00 C ATOM 1085 C CYS A 77 -11.085 30.530 -4.051 1.00 0.00 C ATOM 1086 O CYS A 77 -11.636 30.381 -5.141 1.00 0.00 O ATOM 1087 CB CYS A 77 -8.908 31.350 -4.971 1.00 0.00 C ATOM 1088 SG CYS A 77 -8.989 33.114 -4.580 1.00 0.00 S ATOM 0 H CYS A 77 -8.745 28.851 -5.009 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.284 30.790 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -7.863 31.060 -5.078 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.386 31.180 -5.936 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.404 33.794 -5.520 1.00 0.00 H new TER 1094 CYS A 77