USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 ASN : amide:sc= -8.5! C(o=-9.1!,f=-21!) USER MOD Set 1.2: A 77 SER OG : rot -163:sc= -0.598! USER MOD Set 2.1: A 43 SER OG : rot -90:sc= 0.334 USER MOD Set 2.2: A 46 HIS :FLIP no HE2:sc= -4.17! C(o=-11!,f=-5.9!) USER MOD Set 2.3: A 70 TYR OH : rot 78:sc= -2.03! USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= -0.469 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0.0122 USER MOD Set 4.1: A -5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A -6 SER N :NH3+ -179:sc= -0.0558 (180deg=-0.0641) USER MOD Single : A 4 THR OG1 : rot -51:sc= -6.11! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -112:sc= -0.98 (180deg=-4.62!) USER MOD Single : A -3 THR OG1 : rot -50:sc= 0.972 USER MOD Single : A -4 THR OG1 : rot 180:sc= 0 USER MOD Single : A -6 SER OG : rot -175:sc= 0.828 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -57:sc= 0.16 USER MOD Single : A 20 SER OG : rot -12:sc= 0.721! USER MOD Single : A 21 CYS SG : rot -113:sc= -0.139 USER MOD Single : A 23 THR OG1 : rot 14:sc= -0.73! USER MOD Single : A 30 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 32 THR OG1 : rot 91:sc= -0.18 USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= -0.0339 (180deg=-0.0542) USER MOD Single : A 38 GLN : amide:sc= -2.51! C(o=-2.5!,f=-3.4!) USER MOD Single : A 41 SER OG : rot 88:sc= 1.28 USER MOD Single : A 42 THR OG1 : rot 66:sc= 1.19 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.16 F(o=-3!,f=-1.2) USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00229 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 114:sc= 1.21 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -155:sc= 0.203 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 5:sc= -5.09! USER MOD Single : A 56 THR OG1 : rot 180:sc= -5.18! USER MOD Single : A 60 SER OG : rot -159:sc= -0.669 USER MOD Single : A 61 SER OG : rot 12:sc= -0.753! USER MOD Single : A 63 GLN : amide:sc= -0.371 K(o=-0.37,f=-2.3!) USER MOD Single : A 65 SER OG : rot -50:sc= 0.643 USER MOD Single : A 69 ASN : amide:sc= -2.84! C(o=-2.8!,f=-9.7!) USER MOD Single : A 71 SER OG : rot 170:sc= -1.24 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -4.63! C(o=-4.6!,f=-5.4!) USER MOD Single : A 86 THR OG1 : rot 31:sc= 0.874 USER MOD Single : A 90 GLN :FLIP amide:sc=-0.00791 F(o=-0.88,f=-0.0079) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= 0.174 (180deg=0.0962) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -6 20.046 7.595 3.245 1.00 0.00 N ATOM 2 CA SER A -6 19.530 6.413 2.496 1.00 0.00 C ATOM 3 C SER A -6 20.590 5.900 1.519 1.00 0.00 C ATOM 4 O SER A -6 20.294 5.567 0.389 1.00 0.00 O ATOM 5 CB SER A -6 18.311 6.929 1.736 1.00 0.00 C ATOM 6 OG SER A -6 17.482 5.831 1.377 1.00 0.00 O ATOM 0 H1 SER A -6 19.323 7.923 3.917 1.00 0.00 H new ATOM 0 H2 SER A -6 20.906 7.328 3.765 1.00 0.00 H new ATOM 0 H3 SER A -6 20.269 8.359 2.576 1.00 0.00 H new ATOM 0 HA SER A -6 19.280 5.584 3.157 1.00 0.00 H new ATOM 0 HB2 SER A -6 17.754 7.633 2.354 1.00 0.00 H new ATOM 0 HB3 SER A -6 18.626 7.469 0.843 1.00 0.00 H new ATOM 0 HG SER A -6 16.741 6.149 0.820 1.00 0.00 H new ATOM 11 N LYS A -5 21.822 5.836 1.946 1.00 0.00 N ATOM 12 CA LYS A -5 22.903 5.347 1.040 1.00 0.00 C ATOM 13 C LYS A -5 24.236 5.228 1.796 1.00 0.00 C ATOM 14 O LYS A -5 25.296 5.382 1.221 1.00 0.00 O ATOM 15 CB LYS A -5 22.985 6.402 -0.084 1.00 0.00 C ATOM 16 CG LYS A -5 23.799 7.635 0.357 1.00 0.00 C ATOM 17 CD LYS A -5 23.313 8.134 1.722 1.00 0.00 C ATOM 18 CE LYS A -5 23.743 9.590 1.918 1.00 0.00 C ATOM 19 NZ LYS A -5 22.649 10.208 2.718 1.00 0.00 N ATOM 0 H LYS A -5 22.128 6.101 2.882 1.00 0.00 H new ATOM 0 HA LYS A -5 22.694 4.353 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A -5 23.444 5.959 -0.968 1.00 0.00 H new ATOM 0 HB3 LYS A -5 21.979 6.711 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A -5 24.857 7.380 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A -5 23.700 8.428 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A -5 22.228 8.053 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A -5 23.726 7.512 2.516 1.00 0.00 H new ATOM 0 HE2 LYS A -5 24.698 9.653 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A -5 23.868 10.097 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A -5 22.871 11.209 2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A -5 21.754 10.139 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A -5 22.558 9.709 3.626 1.00 0.00 H new ATOM 33 N THR A -4 24.198 4.963 3.074 1.00 0.00 N ATOM 34 CA THR A -4 25.475 4.850 3.838 1.00 0.00 C ATOM 35 C THR A -4 25.304 3.943 5.062 1.00 0.00 C ATOM 36 O THR A -4 26.158 3.134 5.365 1.00 0.00 O ATOM 37 CB THR A -4 25.802 6.279 4.272 1.00 0.00 C ATOM 38 OG1 THR A -4 26.961 6.269 5.094 1.00 0.00 O ATOM 39 CG2 THR A -4 24.624 6.861 5.055 1.00 0.00 C ATOM 0 H THR A -4 23.347 4.821 3.618 1.00 0.00 H new ATOM 0 HA THR A -4 26.269 4.408 3.236 1.00 0.00 H new ATOM 0 HB THR A -4 25.986 6.893 3.390 1.00 0.00 H new ATOM 0 HG1 THR A -4 27.173 7.185 5.372 1.00 0.00 H new ATOM 0 HG21 THR A -4 24.860 7.880 5.363 1.00 0.00 H new ATOM 0 HG22 THR A -4 23.736 6.869 4.423 1.00 0.00 H new ATOM 0 HG23 THR A -4 24.436 6.249 5.937 1.00 0.00 H new ATOM 47 N THR A -3 24.217 4.071 5.773 1.00 0.00 N ATOM 48 CA THR A -3 24.021 3.211 6.979 1.00 0.00 C ATOM 49 C THR A -3 22.567 3.267 7.457 1.00 0.00 C ATOM 50 O THR A -3 22.292 3.247 8.640 1.00 0.00 O ATOM 51 CB THR A -3 24.947 3.809 8.037 1.00 0.00 C ATOM 52 OG1 THR A -3 24.836 3.060 9.240 1.00 0.00 O ATOM 53 CG2 THR A -3 24.545 5.261 8.297 1.00 0.00 C ATOM 0 H THR A -3 23.461 4.727 5.575 1.00 0.00 H new ATOM 0 HA THR A -3 24.242 2.164 6.773 1.00 0.00 H new ATOM 0 HB THR A -3 25.978 3.775 7.684 1.00 0.00 H new ATOM 0 HG1 THR A -3 23.890 2.961 9.478 1.00 0.00 H new ATOM 0 HG21 THR A -3 25.203 5.691 9.052 1.00 0.00 H new ATOM 0 HG22 THR A -3 24.629 5.833 7.373 1.00 0.00 H new ATOM 0 HG23 THR A -3 23.515 5.295 8.652 1.00 0.00 H new ATOM 61 N LEU A -2 21.638 3.339 6.549 1.00 0.00 N ATOM 62 CA LEU A -2 20.214 3.398 6.939 1.00 0.00 C ATOM 63 C LEU A -2 19.565 2.023 6.753 1.00 0.00 C ATOM 64 O LEU A -2 20.177 1.092 6.272 1.00 0.00 O ATOM 65 CB LEU A -2 19.614 4.426 5.980 1.00 0.00 C ATOM 66 CG LEU A -2 18.200 4.782 6.422 1.00 0.00 C ATOM 67 CD1 LEU A -2 17.958 6.269 6.201 1.00 0.00 C ATOM 68 CD2 LEU A -2 17.205 3.982 5.591 1.00 0.00 C ATOM 0 H LEU A -2 21.811 3.359 5.544 1.00 0.00 H new ATOM 0 HA LEU A -2 20.062 3.671 7.983 1.00 0.00 H new ATOM 0 HB2 LEU A -2 20.234 5.322 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A -2 19.598 4.025 4.967 1.00 0.00 H new ATOM 0 HG LEU A -2 18.075 4.547 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A -2 16.946 6.524 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A -2 18.676 6.845 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A -2 18.078 6.504 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A -2 16.190 4.230 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A -2 17.333 4.226 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A -2 17.380 2.917 5.741 1.00 0.00 H new ATOM 80 N ALA A -1 18.331 1.899 7.134 1.00 0.00 N ATOM 81 CA ALA A -1 17.615 0.599 6.995 1.00 0.00 C ATOM 82 C ALA A -1 16.254 0.834 6.327 1.00 0.00 C ATOM 83 O ALA A -1 16.149 1.573 5.378 1.00 0.00 O ATOM 84 CB ALA A -1 17.454 0.093 8.430 1.00 0.00 C ATOM 0 H ALA A -1 17.776 2.651 7.542 1.00 0.00 H new ATOM 0 HA ALA A -1 18.147 -0.123 6.376 1.00 0.00 H new ATOM 0 HB1 ALA A -1 16.934 -0.865 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A -1 18.437 -0.032 8.884 1.00 0.00 H new ATOM 0 HB3 ALA A -1 16.876 0.815 9.008 1.00 0.00 H new ATOM 90 N ALA A 0 15.213 0.208 6.799 1.00 0.00 N ATOM 91 CA ALA A 0 13.877 0.412 6.165 1.00 0.00 C ATOM 92 C ALA A 0 12.858 0.834 7.223 1.00 0.00 C ATOM 93 O ALA A 0 12.541 0.086 8.126 1.00 0.00 O ATOM 94 CB ALA A 0 13.500 -0.945 5.569 1.00 0.00 C ATOM 0 H ALA A 0 15.227 -0.433 7.592 1.00 0.00 H new ATOM 0 HA ALA A 0 13.896 1.193 5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 0 12.526 -0.872 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.249 -1.241 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 0 13.455 -1.691 6.362 1.00 0.00 H new ATOM 100 N ARG A 1 12.343 2.026 7.120 1.00 0.00 N ATOM 101 CA ARG A 1 11.346 2.490 8.124 1.00 0.00 C ATOM 102 C ARG A 1 10.203 3.234 7.433 1.00 0.00 C ATOM 103 O ARG A 1 10.262 3.532 6.257 1.00 0.00 O ATOM 104 CB ARG A 1 12.121 3.432 9.047 1.00 0.00 C ATOM 105 CG ARG A 1 12.705 4.586 8.229 1.00 0.00 C ATOM 106 CD ARG A 1 12.687 5.865 9.069 1.00 0.00 C ATOM 107 NE ARG A 1 13.896 6.622 8.640 1.00 0.00 N ATOM 108 CZ ARG A 1 14.243 7.714 9.267 1.00 0.00 C ATOM 109 NH1 ARG A 1 13.343 8.428 9.887 1.00 0.00 N ATOM 110 NH2 ARG A 1 15.492 8.093 9.273 1.00 0.00 N ATOM 0 H ARG A 1 12.568 2.698 6.386 1.00 0.00 H new ATOM 0 HA ARG A 1 10.897 1.661 8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.462 3.820 9.824 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.921 2.888 9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.725 4.351 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.126 4.729 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.778 6.440 8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.720 5.638 10.135 1.00 0.00 H new ATOM 0 HE ARG A 1 14.454 6.287 7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.366 8.133 9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.616 9.280 10.376 1.00 0.00 H new ATOM 0 HH21 ARG A 1 16.196 7.537 8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.764 8.946 9.762 1.00 0.00 H new ATOM 124 N ILE A 2 9.164 3.538 8.159 1.00 0.00 N ATOM 125 CA ILE A 2 8.016 4.266 7.551 1.00 0.00 C ATOM 126 C ILE A 2 7.993 5.713 8.049 1.00 0.00 C ATOM 127 O ILE A 2 7.886 5.974 9.230 1.00 0.00 O ATOM 128 CB ILE A 2 6.772 3.520 8.029 1.00 0.00 C ATOM 129 CG1 ILE A 2 6.817 2.059 7.530 1.00 0.00 C ATOM 130 CG2 ILE A 2 5.519 4.237 7.512 1.00 0.00 C ATOM 131 CD1 ILE A 2 6.343 1.947 6.071 1.00 0.00 C ATOM 0 H ILE A 2 9.060 3.313 9.149 1.00 0.00 H new ATOM 0 HA ILE A 2 8.077 4.299 6.463 1.00 0.00 H new ATOM 0 HB ILE A 2 6.742 3.509 9.119 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.834 1.676 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.188 1.436 8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.630 3.706 7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.500 5.258 7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.535 4.257 6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.388 0.905 5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.317 2.306 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 2 6.988 2.550 5.432 1.00 0.00 H new ATOM 143 N LEU A 3 8.097 6.652 7.154 1.00 0.00 N ATOM 144 CA LEU A 3 8.087 8.087 7.557 1.00 0.00 C ATOM 145 C LEU A 3 6.654 8.623 7.580 1.00 0.00 C ATOM 146 O LEU A 3 6.172 9.105 8.586 1.00 0.00 O ATOM 147 CB LEU A 3 8.907 8.786 6.475 1.00 0.00 C ATOM 148 CG LEU A 3 9.174 10.234 6.875 1.00 0.00 C ATOM 149 CD1 LEU A 3 10.665 10.534 6.711 1.00 0.00 C ATOM 150 CD2 LEU A 3 8.362 11.167 5.972 1.00 0.00 C ATOM 0 H LEU A 3 8.189 6.487 6.152 1.00 0.00 H new ATOM 0 HA LEU A 3 8.494 8.247 8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.851 8.261 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.373 8.755 5.525 1.00 0.00 H new ATOM 0 HG LEU A 3 8.882 10.390 7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.862 11.568 6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.243 9.866 7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.954 10.383 5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.551 12.203 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.657 11.015 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.300 10.948 6.084 1.00 0.00 H new ATOM 162 N THR A 4 5.974 8.535 6.476 1.00 0.00 N ATOM 163 CA THR A 4 4.565 9.028 6.415 1.00 0.00 C ATOM 164 C THR A 4 3.666 7.949 5.816 1.00 0.00 C ATOM 165 O THR A 4 3.201 8.070 4.704 1.00 0.00 O ATOM 166 CB THR A 4 4.603 10.245 5.492 1.00 0.00 C ATOM 167 OG1 THR A 4 5.699 11.074 5.846 1.00 0.00 O ATOM 168 CG2 THR A 4 3.299 11.032 5.631 1.00 0.00 C ATOM 0 H THR A 4 6.331 8.141 5.605 1.00 0.00 H new ATOM 0 HA THR A 4 4.174 9.276 7.402 1.00 0.00 H new ATOM 0 HB THR A 4 4.718 9.915 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.674 11.256 6.809 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.326 11.900 4.973 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.458 10.395 5.357 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.182 11.363 6.663 1.00 0.00 H new ATOM 176 N LYS A 5 3.434 6.893 6.542 1.00 0.00 N ATOM 177 CA LYS A 5 2.584 5.785 6.027 1.00 0.00 C ATOM 178 C LYS A 5 1.299 6.309 5.368 1.00 0.00 C ATOM 179 O LYS A 5 0.992 7.483 5.442 1.00 0.00 O ATOM 180 CB LYS A 5 2.241 4.959 7.269 1.00 0.00 C ATOM 181 CG LYS A 5 1.420 5.811 8.240 1.00 0.00 C ATOM 182 CD LYS A 5 1.934 5.602 9.666 1.00 0.00 C ATOM 183 CE LYS A 5 3.185 6.455 9.887 1.00 0.00 C ATOM 184 NZ LYS A 5 3.521 6.281 11.328 1.00 0.00 N ATOM 0 H LYS A 5 3.802 6.749 7.482 1.00 0.00 H new ATOM 0 HA LYS A 5 3.100 5.209 5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.678 4.070 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.155 4.615 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.493 6.864 7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.367 5.538 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.163 5.875 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.165 4.549 9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.005 6.126 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.996 7.502 9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.370 6.837 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.725 6.609 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.703 5.276 11.523 1.00 0.00 H new ATOM 198 N PRO A 6 0.581 5.400 4.753 1.00 0.00 N ATOM 199 CA PRO A 6 -0.684 5.743 4.082 1.00 0.00 C ATOM 200 C PRO A 6 -1.835 5.631 5.082 1.00 0.00 C ATOM 201 O PRO A 6 -1.778 4.857 6.016 1.00 0.00 O ATOM 202 CB PRO A 6 -0.805 4.676 2.994 1.00 0.00 C ATOM 203 CG PRO A 6 0.007 3.506 3.478 1.00 0.00 C ATOM 204 CD PRO A 6 0.875 3.971 4.628 1.00 0.00 C ATOM 0 HA PRO A 6 -0.711 6.756 3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.846 4.392 2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.429 5.045 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.648 2.697 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.625 3.113 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.638 3.435 5.547 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.932 3.799 4.423 1.00 0.00 H new ATOM 212 N ARG A 7 -2.878 6.389 4.901 1.00 0.00 N ATOM 213 CA ARG A 7 -4.018 6.303 5.855 1.00 0.00 C ATOM 214 C ARG A 7 -5.008 5.242 5.385 1.00 0.00 C ATOM 215 O ARG A 7 -4.720 4.452 4.508 1.00 0.00 O ATOM 216 CB ARG A 7 -4.676 7.684 5.837 1.00 0.00 C ATOM 217 CG ARG A 7 -3.626 8.763 6.102 1.00 0.00 C ATOM 218 CD ARG A 7 -3.469 9.628 4.852 1.00 0.00 C ATOM 219 NE ARG A 7 -3.388 11.026 5.358 1.00 0.00 N ATOM 220 CZ ARG A 7 -4.277 11.906 4.987 1.00 0.00 C ATOM 221 NH1 ARG A 7 -4.682 11.942 3.746 1.00 0.00 N ATOM 222 NH2 ARG A 7 -4.763 12.750 5.856 1.00 0.00 N ATOM 0 H ARG A 7 -2.991 7.059 4.141 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.691 6.027 6.857 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.153 7.857 4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.460 7.733 6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.926 9.379 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.673 8.304 6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.572 9.357 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.314 9.501 4.176 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.638 11.296 5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.303 11.282 3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.377 12.630 3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.448 12.722 6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.458 13.438 5.565 1.00 0.00 H new ATOM 236 N SER A 8 -6.172 5.221 5.958 1.00 0.00 N ATOM 237 CA SER A 8 -7.186 4.219 5.547 1.00 0.00 C ATOM 238 C SER A 8 -8.331 4.922 4.819 1.00 0.00 C ATOM 239 O SER A 8 -8.245 6.090 4.494 1.00 0.00 O ATOM 240 CB SER A 8 -7.668 3.604 6.856 1.00 0.00 C ATOM 241 OG SER A 8 -6.565 3.470 7.740 1.00 0.00 O ATOM 0 H SER A 8 -6.467 5.858 6.698 1.00 0.00 H new ATOM 0 HA SER A 8 -6.792 3.464 4.867 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.437 4.232 7.306 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.121 2.630 6.670 1.00 0.00 H new ATOM 0 HG SER A 8 -6.869 3.077 8.585 1.00 0.00 H new ATOM 247 N MET A 9 -9.398 4.228 4.554 1.00 0.00 N ATOM 248 CA MET A 9 -10.534 4.868 3.843 1.00 0.00 C ATOM 249 C MET A 9 -11.733 3.930 3.794 1.00 0.00 C ATOM 250 O MET A 9 -11.655 2.769 4.145 1.00 0.00 O ATOM 251 CB MET A 9 -10.016 5.128 2.436 1.00 0.00 C ATOM 252 CG MET A 9 -10.608 6.428 1.894 1.00 0.00 C ATOM 253 SD MET A 9 -10.036 7.827 2.892 1.00 0.00 S ATOM 254 CE MET A 9 -8.484 8.115 2.006 1.00 0.00 C ATOM 0 H MET A 9 -9.533 3.247 4.798 1.00 0.00 H new ATOM 0 HA MET A 9 -10.865 5.780 4.341 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.928 5.190 2.446 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.282 4.297 1.782 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.313 6.567 0.854 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.697 6.378 1.912 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.644 7.863 2.653 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.454 7.492 1.112 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.418 9.164 1.719 1.00 0.00 H new ATOM 264 N THR A 10 -12.839 4.434 3.350 1.00 0.00 N ATOM 265 CA THR A 10 -14.063 3.592 3.255 1.00 0.00 C ATOM 266 C THR A 10 -14.962 4.105 2.133 1.00 0.00 C ATOM 267 O THR A 10 -15.352 5.256 2.114 1.00 0.00 O ATOM 268 CB THR A 10 -14.752 3.735 4.611 1.00 0.00 C ATOM 269 OG1 THR A 10 -13.846 3.365 5.641 1.00 0.00 O ATOM 270 CG2 THR A 10 -15.980 2.826 4.658 1.00 0.00 C ATOM 0 H THR A 10 -12.955 5.400 3.045 1.00 0.00 H new ATOM 0 HA THR A 10 -13.835 2.550 3.029 1.00 0.00 H new ATOM 0 HB THR A 10 -15.063 4.770 4.755 1.00 0.00 H new ATOM 0 HG1 THR A 10 -14.285 3.458 6.512 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.471 2.928 5.626 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.674 3.110 3.867 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.672 1.790 4.515 1.00 0.00 H new ATOM 278 N VAL A 11 -15.292 3.265 1.194 1.00 0.00 N ATOM 279 CA VAL A 11 -16.159 3.715 0.077 1.00 0.00 C ATOM 280 C VAL A 11 -17.092 2.586 -0.356 1.00 0.00 C ATOM 281 O VAL A 11 -17.219 1.581 0.312 1.00 0.00 O ATOM 282 CB VAL A 11 -15.189 4.048 -1.049 1.00 0.00 C ATOM 283 CG1 VAL A 11 -14.247 5.168 -0.610 1.00 0.00 C ATOM 284 CG2 VAL A 11 -14.370 2.808 -1.391 1.00 0.00 C ATOM 0 H VAL A 11 -14.999 2.289 1.153 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.786 4.562 0.355 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.752 4.374 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.556 5.401 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.828 6.056 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.684 4.847 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.674 3.042 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.812 2.487 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.038 2.007 -1.709 1.00 0.00 H new ATOM 294 N TYR A 12 -17.729 2.736 -1.480 1.00 0.00 N ATOM 295 CA TYR A 12 -18.628 1.659 -1.971 1.00 0.00 C ATOM 296 C TYR A 12 -17.815 0.704 -2.840 1.00 0.00 C ATOM 297 O TYR A 12 -18.079 -0.479 -2.915 1.00 0.00 O ATOM 298 CB TYR A 12 -19.691 2.366 -2.806 1.00 0.00 C ATOM 299 CG TYR A 12 -21.000 1.636 -2.641 1.00 0.00 C ATOM 300 CD1 TYR A 12 -21.662 1.657 -1.408 1.00 0.00 C ATOM 301 CD2 TYR A 12 -21.543 0.924 -3.716 1.00 0.00 C ATOM 302 CE1 TYR A 12 -22.869 0.966 -1.251 1.00 0.00 C ATOM 303 CE2 TYR A 12 -22.750 0.233 -3.560 1.00 0.00 C ATOM 304 CZ TYR A 12 -23.413 0.254 -2.327 1.00 0.00 C ATOM 305 OH TYR A 12 -24.603 -0.429 -2.171 1.00 0.00 O ATOM 0 H TYR A 12 -17.666 3.558 -2.081 1.00 0.00 H new ATOM 0 HA TYR A 12 -19.080 1.082 -1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.794 3.403 -2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -19.397 2.383 -3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -21.242 2.206 -0.578 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -21.031 0.908 -4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -23.381 0.982 -0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.170 -0.316 -4.390 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.841 -0.869 -3.014 1.00 0.00 H new ATOM 315 N GLU A 13 -16.816 1.228 -3.491 1.00 0.00 N ATOM 316 CA GLU A 13 -15.948 0.390 -4.362 1.00 0.00 C ATOM 317 C GLU A 13 -14.613 1.122 -4.590 1.00 0.00 C ATOM 318 O GLU A 13 -13.920 1.447 -3.648 1.00 0.00 O ATOM 319 CB GLU A 13 -16.743 0.219 -5.663 1.00 0.00 C ATOM 320 CG GLU A 13 -17.146 1.592 -6.210 1.00 0.00 C ATOM 321 CD GLU A 13 -17.520 1.463 -7.687 1.00 0.00 C ATOM 322 OE1 GLU A 13 -17.970 0.397 -8.072 1.00 0.00 O ATOM 323 OE2 GLU A 13 -17.350 2.433 -8.408 1.00 0.00 O ATOM 0 H GLU A 13 -16.561 2.215 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.703 -0.581 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.142 -0.314 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.632 -0.385 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.989 1.988 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.324 2.298 -6.092 1.00 0.00 H new ATOM 330 N GLY A 14 -14.244 1.402 -5.814 1.00 0.00 N ATOM 331 CA GLY A 14 -12.964 2.125 -6.050 1.00 0.00 C ATOM 332 C GLY A 14 -13.278 3.573 -6.426 1.00 0.00 C ATOM 333 O GLY A 14 -13.000 4.016 -7.523 1.00 0.00 O ATOM 0 H GLY A 14 -14.772 1.162 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.342 2.094 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.399 1.642 -6.847 1.00 0.00 H new ATOM 337 N GLU A 15 -13.870 4.310 -5.525 1.00 0.00 N ATOM 338 CA GLU A 15 -14.221 5.727 -5.830 1.00 0.00 C ATOM 339 C GLU A 15 -12.961 6.582 -5.969 1.00 0.00 C ATOM 340 O GLU A 15 -12.488 6.836 -7.059 1.00 0.00 O ATOM 341 CB GLU A 15 -15.061 6.192 -4.640 1.00 0.00 C ATOM 342 CG GLU A 15 -16.547 6.056 -4.980 1.00 0.00 C ATOM 343 CD GLU A 15 -17.384 6.398 -3.747 1.00 0.00 C ATOM 344 OE1 GLU A 15 -17.595 5.511 -2.939 1.00 0.00 O ATOM 345 OE2 GLU A 15 -17.799 7.539 -3.633 1.00 0.00 O ATOM 0 H GLU A 15 -14.126 3.992 -4.590 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.760 5.819 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.823 5.597 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.826 7.228 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.805 6.721 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.764 5.040 -5.310 1.00 0.00 H new ATOM 352 N SER A 16 -12.417 7.034 -4.876 1.00 0.00 N ATOM 353 CA SER A 16 -11.193 7.880 -4.954 1.00 0.00 C ATOM 354 C SER A 16 -10.344 7.715 -3.693 1.00 0.00 C ATOM 355 O SER A 16 -9.959 8.681 -3.064 1.00 0.00 O ATOM 356 CB SER A 16 -11.709 9.309 -5.067 1.00 0.00 C ATOM 357 OG SER A 16 -10.630 10.172 -5.398 1.00 0.00 O ATOM 0 H SER A 16 -12.765 6.856 -3.934 1.00 0.00 H new ATOM 0 HA SER A 16 -10.558 7.605 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.485 9.369 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.163 9.620 -4.126 1.00 0.00 H new ATOM 0 HG SER A 16 -9.927 10.091 -4.720 1.00 0.00 H new ATOM 363 N ALA A 17 -10.042 6.502 -3.323 1.00 0.00 N ATOM 364 CA ALA A 17 -9.211 6.284 -2.107 1.00 0.00 C ATOM 365 C ALA A 17 -7.728 6.240 -2.488 1.00 0.00 C ATOM 366 O ALA A 17 -7.168 5.186 -2.714 1.00 0.00 O ATOM 367 CB ALA A 17 -9.664 4.933 -1.552 1.00 0.00 C ATOM 0 H ALA A 17 -10.334 5.654 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.330 7.082 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -9.096 4.701 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.726 4.977 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.494 4.157 -2.299 1.00 0.00 H new ATOM 373 N ARG A 18 -7.092 7.378 -2.565 1.00 0.00 N ATOM 374 CA ARG A 18 -5.646 7.403 -2.934 1.00 0.00 C ATOM 375 C ARG A 18 -4.785 7.370 -1.669 1.00 0.00 C ATOM 376 O ARG A 18 -5.180 7.855 -0.628 1.00 0.00 O ATOM 377 CB ARG A 18 -5.448 8.719 -3.687 1.00 0.00 C ATOM 378 CG ARG A 18 -4.408 8.522 -4.792 1.00 0.00 C ATOM 379 CD ARG A 18 -3.508 9.758 -4.873 1.00 0.00 C ATOM 380 NE ARG A 18 -2.551 9.610 -3.741 1.00 0.00 N ATOM 381 CZ ARG A 18 -2.203 10.654 -3.041 1.00 0.00 C ATOM 382 NH1 ARG A 18 -1.276 11.459 -3.485 1.00 0.00 N ATOM 383 NH2 ARG A 18 -2.782 10.895 -1.896 1.00 0.00 N ATOM 0 H ARG A 18 -7.510 8.291 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.357 6.545 -3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.393 9.050 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.120 9.498 -2.999 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.808 7.635 -4.588 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.905 8.357 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.986 9.804 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.088 10.676 -4.782 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.168 8.692 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.824 11.272 -4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.004 12.275 -2.937 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.507 10.267 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.510 11.712 -1.349 1.00 0.00 H new ATOM 397 N PHE A 19 -3.615 6.798 -1.750 1.00 0.00 N ATOM 398 CA PHE A 19 -2.734 6.727 -0.542 1.00 0.00 C ATOM 399 C PHE A 19 -1.275 6.965 -0.920 1.00 0.00 C ATOM 400 O PHE A 19 -0.871 6.767 -2.047 1.00 0.00 O ATOM 401 CB PHE A 19 -2.895 5.304 0.000 1.00 0.00 C ATOM 402 CG PHE A 19 -4.356 5.001 0.196 1.00 0.00 C ATOM 403 CD1 PHE A 19 -5.120 5.795 1.053 1.00 0.00 C ATOM 404 CD2 PHE A 19 -4.946 3.935 -0.488 1.00 0.00 C ATOM 405 CE1 PHE A 19 -6.480 5.528 1.225 1.00 0.00 C ATOM 406 CE2 PHE A 19 -6.305 3.665 -0.316 1.00 0.00 C ATOM 407 CZ PHE A 19 -7.074 4.463 0.540 1.00 0.00 C ATOM 0 H PHE A 19 -3.229 6.377 -2.595 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.008 7.486 0.191 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.455 4.588 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.362 5.202 0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.659 6.616 1.583 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.352 3.321 -1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.072 6.143 1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.763 2.841 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.126 4.256 0.671 1.00 0.00 H new ATOM 417 N SER A 20 -0.477 7.374 0.023 1.00 0.00 N ATOM 418 CA SER A 20 0.962 7.601 -0.271 1.00 0.00 C ATOM 419 C SER A 20 1.792 7.391 0.993 1.00 0.00 C ATOM 420 O SER A 20 1.585 8.037 2.002 1.00 0.00 O ATOM 421 CB SER A 20 1.059 9.048 -0.752 1.00 0.00 C ATOM 422 OG SER A 20 1.176 9.915 0.368 1.00 0.00 O ATOM 0 H SER A 20 -0.759 7.561 0.985 1.00 0.00 H new ATOM 0 HA SER A 20 1.343 6.908 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.921 9.167 -1.408 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.176 9.308 -1.335 1.00 0.00 H new ATOM 0 HG SER A 20 0.980 9.417 1.189 1.00 0.00 H new ATOM 428 N CYS A 21 2.736 6.500 0.949 1.00 0.00 N ATOM 429 CA CYS A 21 3.581 6.266 2.144 1.00 0.00 C ATOM 430 C CYS A 21 5.031 6.588 1.806 1.00 0.00 C ATOM 431 O CYS A 21 5.609 6.015 0.910 1.00 0.00 O ATOM 432 CB CYS A 21 3.409 4.787 2.481 1.00 0.00 C ATOM 433 SG CYS A 21 3.888 3.773 1.062 1.00 0.00 S ATOM 0 H CYS A 21 2.959 5.924 0.137 1.00 0.00 H new ATOM 0 HA CYS A 21 3.299 6.894 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.020 4.529 3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.372 4.585 2.750 1.00 0.00 H new ATOM 0 HG CYS A 21 2.839 3.170 0.586 1.00 0.00 H new ATOM 439 N ASP A 22 5.625 7.508 2.505 1.00 0.00 N ATOM 440 CA ASP A 22 7.036 7.858 2.194 1.00 0.00 C ATOM 441 C ASP A 22 7.968 6.982 3.013 1.00 0.00 C ATOM 442 O ASP A 22 8.058 7.109 4.211 1.00 0.00 O ATOM 443 CB ASP A 22 7.199 9.327 2.578 1.00 0.00 C ATOM 444 CG ASP A 22 6.048 10.160 2.000 1.00 0.00 C ATOM 445 OD1 ASP A 22 5.317 9.634 1.175 1.00 0.00 O ATOM 446 OD2 ASP A 22 5.918 11.307 2.393 1.00 0.00 O ATOM 0 H ASP A 22 5.201 8.030 3.272 1.00 0.00 H new ATOM 0 HA ASP A 22 7.277 7.701 1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.219 9.426 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.152 9.703 2.206 1.00 0.00 H new ATOM 451 N THR A 23 8.650 6.083 2.377 1.00 0.00 N ATOM 452 CA THR A 23 9.569 5.186 3.126 1.00 0.00 C ATOM 453 C THR A 23 10.989 5.329 2.593 1.00 0.00 C ATOM 454 O THR A 23 11.218 5.337 1.402 1.00 0.00 O ATOM 455 CB THR A 23 9.051 3.771 2.874 1.00 0.00 C ATOM 456 OG1 THR A 23 9.304 3.413 1.522 1.00 0.00 O ATOM 457 CG2 THR A 23 7.546 3.713 3.146 1.00 0.00 C ATOM 0 H THR A 23 8.614 5.927 1.370 1.00 0.00 H new ATOM 0 HA THR A 23 9.595 5.425 4.189 1.00 0.00 H new ATOM 0 HB THR A 23 9.561 3.075 3.540 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.932 4.053 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.182 2.702 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.353 3.988 4.183 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.030 4.408 2.484 1.00 0.00 H new ATOM 465 N ASP A 24 11.945 5.434 3.466 1.00 0.00 N ATOM 466 CA ASP A 24 13.357 5.567 3.001 1.00 0.00 C ATOM 467 C ASP A 24 14.071 4.222 3.108 1.00 0.00 C ATOM 468 O ASP A 24 13.617 3.319 3.782 1.00 0.00 O ATOM 469 CB ASP A 24 14.005 6.589 3.931 1.00 0.00 C ATOM 470 CG ASP A 24 15.385 6.967 3.386 1.00 0.00 C ATOM 471 OD1 ASP A 24 15.435 7.622 2.358 1.00 0.00 O ATOM 472 OD2 ASP A 24 16.368 6.591 4.003 1.00 0.00 O ATOM 0 H ASP A 24 11.816 5.434 4.478 1.00 0.00 H new ATOM 0 HA ASP A 24 13.413 5.883 1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.377 7.476 4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.099 6.176 4.935 1.00 0.00 H new ATOM 477 N GLY A 25 15.187 4.082 2.452 1.00 0.00 N ATOM 478 CA GLY A 25 15.932 2.795 2.518 1.00 0.00 C ATOM 479 C GLY A 25 17.194 2.882 1.660 1.00 0.00 C ATOM 480 O GLY A 25 17.138 3.145 0.475 1.00 0.00 O ATOM 0 H GLY A 25 15.616 4.803 1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.198 2.571 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.299 1.980 2.168 1.00 0.00 H new ATOM 484 N GLU A 26 18.336 2.675 2.258 1.00 0.00 N ATOM 485 CA GLU A 26 19.611 2.756 1.488 1.00 0.00 C ATOM 486 C GLU A 26 19.930 1.403 0.811 1.00 0.00 C ATOM 487 O GLU A 26 19.847 0.375 1.450 1.00 0.00 O ATOM 488 CB GLU A 26 20.670 3.085 2.540 1.00 0.00 C ATOM 489 CG GLU A 26 20.712 1.972 3.589 1.00 0.00 C ATOM 490 CD GLU A 26 22.057 1.248 3.509 1.00 0.00 C ATOM 491 OE1 GLU A 26 23.032 1.797 3.993 1.00 0.00 O ATOM 492 OE2 GLU A 26 22.089 0.157 2.965 1.00 0.00 O ATOM 0 H GLU A 26 18.441 2.453 3.248 1.00 0.00 H new ATOM 0 HA GLU A 26 19.565 3.498 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 26 21.647 3.191 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 26 20.441 4.039 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.571 2.391 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 26 19.897 1.268 3.421 1.00 0.00 H new ATOM 499 N PRO A 27 20.298 1.428 -0.460 1.00 0.00 N ATOM 500 CA PRO A 27 20.397 2.691 -1.242 1.00 0.00 C ATOM 501 C PRO A 27 18.995 3.176 -1.592 1.00 0.00 C ATOM 502 O PRO A 27 18.728 4.357 -1.680 1.00 0.00 O ATOM 503 CB PRO A 27 21.167 2.287 -2.495 1.00 0.00 C ATOM 504 CG PRO A 27 20.912 0.823 -2.650 1.00 0.00 C ATOM 505 CD PRO A 27 20.666 0.261 -1.272 1.00 0.00 C ATOM 0 HA PRO A 27 20.888 3.502 -0.705 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.821 2.842 -3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.232 2.493 -2.387 1.00 0.00 H new ATOM 0 HG2 PRO A 27 20.051 0.649 -3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.765 0.332 -3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.869 -0.482 -1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.556 -0.231 -0.879 1.00 0.00 H new ATOM 513 N VAL A 28 18.101 2.254 -1.780 1.00 0.00 N ATOM 514 CA VAL A 28 16.698 2.607 -2.113 1.00 0.00 C ATOM 515 C VAL A 28 15.757 1.618 -1.401 1.00 0.00 C ATOM 516 O VAL A 28 16.010 0.429 -1.393 1.00 0.00 O ATOM 517 CB VAL A 28 16.618 2.475 -3.639 1.00 0.00 C ATOM 518 CG1 VAL A 28 15.159 2.379 -4.087 1.00 0.00 C ATOM 519 CG2 VAL A 28 17.260 3.706 -4.283 1.00 0.00 C ATOM 0 H VAL A 28 18.286 1.253 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 28 16.406 3.608 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 28 17.145 1.571 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.117 2.286 -5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.695 1.505 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.624 3.277 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.207 3.619 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.728 4.602 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.303 3.775 -3.976 1.00 0.00 H new ATOM 529 N PRO A 29 14.710 2.139 -0.813 1.00 0.00 N ATOM 530 CA PRO A 29 13.749 1.276 -0.084 1.00 0.00 C ATOM 531 C PRO A 29 12.854 0.507 -1.061 1.00 0.00 C ATOM 532 O PRO A 29 12.942 0.668 -2.262 1.00 0.00 O ATOM 533 CB PRO A 29 12.927 2.268 0.732 1.00 0.00 C ATOM 534 CG PRO A 29 13.023 3.562 -0.010 1.00 0.00 C ATOM 535 CD PRO A 29 14.324 3.555 -0.768 1.00 0.00 C ATOM 0 HA PRO A 29 14.240 0.521 0.530 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.891 1.941 0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.319 2.365 1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.182 3.675 -0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.987 4.404 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.203 3.966 -1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.080 4.158 -0.265 1.00 0.00 H new ATOM 543 N THR A 30 11.991 -0.325 -0.545 1.00 0.00 N ATOM 544 CA THR A 30 11.078 -1.110 -1.427 1.00 0.00 C ATOM 545 C THR A 30 9.680 -1.145 -0.807 1.00 0.00 C ATOM 546 O THR A 30 9.537 -1.248 0.393 1.00 0.00 O ATOM 547 CB THR A 30 11.670 -2.522 -1.471 1.00 0.00 C ATOM 548 OG1 THR A 30 13.077 -2.463 -1.278 1.00 0.00 O ATOM 549 CG2 THR A 30 11.365 -3.162 -2.825 1.00 0.00 C ATOM 0 H THR A 30 11.878 -0.496 0.454 1.00 0.00 H new ATOM 0 HA THR A 30 10.991 -0.678 -2.424 1.00 0.00 H new ATOM 0 HB THR A 30 11.225 -3.122 -0.677 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.278 -2.514 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.787 -4.167 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.286 -3.217 -2.967 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.805 -2.559 -3.620 1.00 0.00 H new ATOM 557 N VAL A 31 8.648 -1.061 -1.602 1.00 0.00 N ATOM 558 CA VAL A 31 7.274 -1.092 -1.022 1.00 0.00 C ATOM 559 C VAL A 31 6.496 -2.314 -1.523 1.00 0.00 C ATOM 560 O VAL A 31 6.611 -2.720 -2.663 1.00 0.00 O ATOM 561 CB VAL A 31 6.615 0.228 -1.463 1.00 0.00 C ATOM 562 CG1 VAL A 31 6.093 0.125 -2.895 1.00 0.00 C ATOM 563 CG2 VAL A 31 5.447 0.549 -0.530 1.00 0.00 C ATOM 0 H VAL A 31 8.694 -0.973 -2.617 1.00 0.00 H new ATOM 0 HA VAL A 31 7.290 -1.180 0.064 1.00 0.00 H new ATOM 0 HB VAL A 31 7.364 1.018 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.632 1.070 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.921 -0.095 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.353 -0.673 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.979 1.483 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.714 -0.256 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.814 0.649 0.491 1.00 0.00 H new ATOM 573 N THR A 32 5.697 -2.896 -0.678 1.00 0.00 N ATOM 574 CA THR A 32 4.901 -4.075 -1.098 1.00 0.00 C ATOM 575 C THR A 32 3.544 -4.021 -0.408 1.00 0.00 C ATOM 576 O THR A 32 3.439 -4.218 0.777 1.00 0.00 O ATOM 577 CB THR A 32 5.702 -5.292 -0.632 1.00 0.00 C ATOM 578 OG1 THR A 32 7.090 -5.004 -0.713 1.00 0.00 O ATOM 579 CG2 THR A 32 5.370 -6.496 -1.518 1.00 0.00 C ATOM 0 H THR A 32 5.561 -2.604 0.290 1.00 0.00 H new ATOM 0 HA THR A 32 4.726 -4.111 -2.173 1.00 0.00 H new ATOM 0 HB THR A 32 5.442 -5.525 0.400 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.397 -4.630 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.942 -7.362 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.305 -6.716 -1.449 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.627 -6.268 -2.553 1.00 0.00 H new ATOM 587 N TRP A 33 2.503 -3.751 -1.133 1.00 0.00 N ATOM 588 CA TRP A 33 1.159 -3.682 -0.490 1.00 0.00 C ATOM 589 C TRP A 33 0.552 -5.081 -0.464 1.00 0.00 C ATOM 590 O TRP A 33 0.312 -5.675 -1.487 1.00 0.00 O ATOM 591 CB TRP A 33 0.331 -2.746 -1.369 1.00 0.00 C ATOM 592 CG TRP A 33 1.043 -1.446 -1.538 1.00 0.00 C ATOM 593 CD1 TRP A 33 2.042 -1.228 -2.409 1.00 0.00 C ATOM 594 CD2 TRP A 33 0.825 -0.192 -0.843 1.00 0.00 C ATOM 595 NE1 TRP A 33 2.471 0.083 -2.284 1.00 0.00 N ATOM 596 CE2 TRP A 33 1.746 0.765 -1.329 1.00 0.00 C ATOM 597 CE3 TRP A 33 -0.073 0.196 0.155 1.00 0.00 C ATOM 598 CZ2 TRP A 33 1.775 2.070 -0.834 1.00 0.00 C ATOM 599 CZ3 TRP A 33 -0.053 1.508 0.659 1.00 0.00 C ATOM 600 CH2 TRP A 33 0.871 2.444 0.165 1.00 0.00 C ATOM 0 H TRP A 33 2.518 -3.575 -2.138 1.00 0.00 H new ATOM 0 HA TRP A 33 1.199 -3.318 0.537 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.158 -3.205 -2.342 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.647 -2.579 -0.917 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.446 -1.957 -3.096 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.229 0.493 -2.830 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.787 -0.517 0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.489 2.784 -1.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.752 1.798 1.430 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.883 3.451 0.556 1.00 0.00 H new ATOM 611 N LEU A 34 0.328 -5.625 0.700 1.00 0.00 N ATOM 612 CA LEU A 34 -0.247 -7.001 0.774 1.00 0.00 C ATOM 613 C LEU A 34 -0.996 -7.214 2.089 1.00 0.00 C ATOM 614 O LEU A 34 -0.612 -6.708 3.126 1.00 0.00 O ATOM 615 CB LEU A 34 0.950 -7.939 0.683 1.00 0.00 C ATOM 616 CG LEU A 34 1.914 -7.644 1.825 1.00 0.00 C ATOM 617 CD1 LEU A 34 2.295 -8.953 2.514 1.00 0.00 C ATOM 618 CD2 LEU A 34 3.162 -6.965 1.264 1.00 0.00 C ATOM 0 H LEU A 34 0.516 -5.181 1.599 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.969 -7.178 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.618 -8.976 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.454 -7.811 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 34 1.441 -6.983 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.985 -8.746 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.398 -9.431 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.774 -9.617 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.856 -6.751 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.642 -7.625 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.880 -6.034 0.773 1.00 0.00 H new ATOM 630 N ARG A 35 -2.051 -7.974 2.063 1.00 0.00 N ATOM 631 CA ARG A 35 -2.798 -8.234 3.320 1.00 0.00 C ATOM 632 C ARG A 35 -3.703 -9.458 3.154 1.00 0.00 C ATOM 633 O ARG A 35 -3.888 -10.238 4.066 1.00 0.00 O ATOM 634 CB ARG A 35 -3.616 -6.971 3.568 1.00 0.00 C ATOM 635 CG ARG A 35 -4.594 -7.204 4.722 1.00 0.00 C ATOM 636 CD ARG A 35 -3.825 -7.502 6.014 1.00 0.00 C ATOM 637 NE ARG A 35 -4.790 -8.247 6.869 1.00 0.00 N ATOM 638 CZ ARG A 35 -4.364 -9.184 7.673 1.00 0.00 C ATOM 639 NH1 ARG A 35 -4.034 -10.352 7.194 1.00 0.00 N ATOM 640 NH2 ARG A 35 -4.265 -8.952 8.953 1.00 0.00 N ATOM 0 H ARG A 35 -2.427 -8.425 1.229 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.137 -8.450 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.953 -6.138 3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.163 -6.698 2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.223 -6.324 4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.257 -8.036 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.933 -8.096 5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.495 -6.583 6.499 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.785 -8.025 6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.109 -10.532 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.701 -11.085 7.821 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.520 -8.038 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.932 -9.685 9.580 1.00 0.00 H new ATOM 654 N LYS A 36 -4.274 -9.616 1.992 1.00 0.00 N ATOM 655 CA LYS A 36 -5.186 -10.778 1.737 1.00 0.00 C ATOM 656 C LYS A 36 -5.796 -10.688 0.331 1.00 0.00 C ATOM 657 O LYS A 36 -6.166 -11.687 -0.255 1.00 0.00 O ATOM 658 CB LYS A 36 -6.291 -10.673 2.794 1.00 0.00 C ATOM 659 CG LYS A 36 -6.347 -11.968 3.605 1.00 0.00 C ATOM 660 CD LYS A 36 -7.667 -12.032 4.376 1.00 0.00 C ATOM 661 CE LYS A 36 -7.750 -10.852 5.346 1.00 0.00 C ATOM 662 NZ LYS A 36 -8.790 -9.954 4.770 1.00 0.00 N ATOM 0 H LYS A 36 -4.150 -8.987 1.199 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.651 -11.726 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.099 -9.827 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.252 -10.491 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.259 -12.829 2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.507 -12.012 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.507 -12.006 3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.735 -12.972 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.024 -11.183 6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.790 -10.342 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.645 -8.986 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.719 -9.961 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.733 -10.288 5.054 1.00 0.00 H new ATOM 676 N GLY A 37 -5.921 -9.503 -0.213 1.00 0.00 N ATOM 677 CA GLY A 37 -6.522 -9.359 -1.569 1.00 0.00 C ATOM 678 C GLY A 37 -5.461 -9.563 -2.660 1.00 0.00 C ATOM 679 O GLY A 37 -5.416 -8.838 -3.635 1.00 0.00 O ATOM 0 H GLY A 37 -5.631 -8.629 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.324 -10.086 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.969 -8.370 -1.670 1.00 0.00 H new ATOM 683 N GLN A 38 -4.612 -10.551 -2.516 1.00 0.00 N ATOM 684 CA GLN A 38 -3.560 -10.814 -3.550 1.00 0.00 C ATOM 685 C GLN A 38 -2.546 -9.670 -3.589 1.00 0.00 C ATOM 686 O GLN A 38 -2.522 -8.881 -4.513 1.00 0.00 O ATOM 687 CB GLN A 38 -4.299 -10.929 -4.889 1.00 0.00 C ATOM 688 CG GLN A 38 -3.871 -12.216 -5.597 1.00 0.00 C ATOM 689 CD GLN A 38 -3.601 -11.922 -7.073 1.00 0.00 C ATOM 690 OE1 GLN A 38 -4.512 -11.630 -7.823 1.00 0.00 O ATOM 691 NE2 GLN A 38 -2.378 -11.984 -7.525 1.00 0.00 N ATOM 0 H GLN A 38 -4.602 -11.191 -1.722 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.002 -11.723 -3.327 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.376 -10.933 -4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.076 -10.065 -5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.975 -12.622 -5.127 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.651 -12.972 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.614 -12.229 -6.896 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.187 -11.787 -8.507 1.00 0.00 H new ATOM 700 N VAL A 39 -1.704 -9.600 -2.586 1.00 0.00 N ATOM 701 CA VAL A 39 -0.646 -8.537 -2.501 1.00 0.00 C ATOM 702 C VAL A 39 -1.090 -7.203 -3.114 1.00 0.00 C ATOM 703 O VAL A 39 -0.282 -6.494 -3.665 1.00 0.00 O ATOM 704 CB VAL A 39 0.564 -9.084 -3.263 1.00 0.00 C ATOM 705 CG1 VAL A 39 1.182 -10.244 -2.481 1.00 0.00 C ATOM 706 CG2 VAL A 39 0.142 -9.571 -4.652 1.00 0.00 C ATOM 0 H VAL A 39 -1.704 -10.252 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.423 -8.323 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 39 1.298 -8.286 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.043 -10.632 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.501 -9.892 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.443 -11.036 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.013 -9.957 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.601 -10.362 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.286 -8.741 -5.214 1.00 0.00 H new ATOM 716 N LEU A 40 -2.351 -6.861 -3.004 1.00 0.00 N ATOM 717 CA LEU A 40 -2.860 -5.557 -3.564 1.00 0.00 C ATOM 718 C LEU A 40 -2.259 -5.269 -4.952 1.00 0.00 C ATOM 719 O LEU A 40 -2.846 -5.596 -5.957 1.00 0.00 O ATOM 720 CB LEU A 40 -2.422 -4.472 -2.564 1.00 0.00 C ATOM 721 CG LEU A 40 -3.345 -4.445 -1.342 1.00 0.00 C ATOM 722 CD1 LEU A 40 -2.983 -5.590 -0.402 1.00 0.00 C ATOM 723 CD2 LEU A 40 -3.155 -3.122 -0.597 1.00 0.00 C ATOM 0 H LEU A 40 -3.061 -7.432 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.942 -5.586 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.397 -4.659 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.431 -3.498 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.379 -4.548 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.641 -5.569 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.101 -6.540 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.948 -5.480 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.810 -3.098 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.118 -3.032 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.402 -2.293 -1.260 1.00 0.00 H new ATOM 735 N SER A 41 -1.092 -4.651 -4.979 1.00 0.00 N ATOM 736 CA SER A 41 -0.362 -4.290 -6.244 1.00 0.00 C ATOM 737 C SER A 41 -0.991 -4.839 -7.527 1.00 0.00 C ATOM 738 O SER A 41 -0.678 -5.930 -7.960 1.00 0.00 O ATOM 739 CB SER A 41 1.034 -4.880 -6.055 1.00 0.00 C ATOM 740 OG SER A 41 1.428 -4.725 -4.698 1.00 0.00 O ATOM 0 H SER A 41 -0.596 -4.371 -4.133 1.00 0.00 H new ATOM 0 HA SER A 41 -0.382 -3.209 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.036 -5.935 -6.328 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.745 -4.379 -6.712 1.00 0.00 H new ATOM 0 HG SER A 41 1.115 -5.493 -4.177 1.00 0.00 H new ATOM 746 N THR A 42 -1.834 -4.044 -8.148 1.00 0.00 N ATOM 747 CA THR A 42 -2.493 -4.413 -9.448 1.00 0.00 C ATOM 748 C THR A 42 -2.628 -5.929 -9.632 1.00 0.00 C ATOM 749 O THR A 42 -2.204 -6.486 -10.625 1.00 0.00 O ATOM 750 CB THR A 42 -1.580 -3.821 -10.530 1.00 0.00 C ATOM 751 OG1 THR A 42 -0.490 -4.702 -10.760 1.00 0.00 O ATOM 752 CG2 THR A 42 -1.045 -2.448 -10.094 1.00 0.00 C ATOM 0 H THR A 42 -2.101 -3.125 -7.796 1.00 0.00 H new ATOM 0 HA THR A 42 -3.512 -4.028 -9.491 1.00 0.00 H new ATOM 0 HB THR A 42 -2.157 -3.696 -11.446 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.822 -5.538 -11.149 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.400 -2.044 -10.874 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.881 -1.768 -9.927 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.475 -2.556 -9.171 1.00 0.00 H new ATOM 760 N SER A 43 -3.211 -6.594 -8.681 1.00 0.00 N ATOM 761 CA SER A 43 -3.371 -8.071 -8.793 1.00 0.00 C ATOM 762 C SER A 43 -4.581 -8.404 -9.666 1.00 0.00 C ATOM 763 O SER A 43 -4.653 -9.459 -10.264 1.00 0.00 O ATOM 764 CB SER A 43 -3.591 -8.559 -7.362 1.00 0.00 C ATOM 765 OG SER A 43 -4.489 -7.682 -6.696 1.00 0.00 O ATOM 0 H SER A 43 -3.586 -6.181 -7.827 1.00 0.00 H new ATOM 0 HA SER A 43 -2.505 -8.546 -9.254 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.993 -9.572 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.641 -8.597 -6.829 1.00 0.00 H new ATOM 0 HG SER A 43 -3.983 -6.965 -6.261 1.00 0.00 H new ATOM 771 N ALA A 44 -5.533 -7.513 -9.746 1.00 0.00 N ATOM 772 CA ALA A 44 -6.736 -7.786 -10.587 1.00 0.00 C ATOM 773 C ALA A 44 -7.686 -6.587 -10.582 1.00 0.00 C ATOM 774 O ALA A 44 -8.351 -6.308 -11.560 1.00 0.00 O ATOM 775 CB ALA A 44 -7.409 -9.002 -9.947 1.00 0.00 C ATOM 0 H ALA A 44 -5.531 -6.612 -9.268 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.467 -7.968 -11.627 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.304 -9.262 -10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.718 -9.845 -9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.685 -8.766 -8.919 1.00 0.00 H new ATOM 781 N ARG A 45 -7.765 -5.882 -9.491 1.00 0.00 N ATOM 782 CA ARG A 45 -8.689 -4.711 -9.441 1.00 0.00 C ATOM 783 C ARG A 45 -8.079 -3.542 -8.655 1.00 0.00 C ATOM 784 O ARG A 45 -8.728 -2.543 -8.421 1.00 0.00 O ATOM 785 CB ARG A 45 -9.944 -5.232 -8.741 1.00 0.00 C ATOM 786 CG ARG A 45 -9.588 -5.711 -7.332 1.00 0.00 C ATOM 787 CD ARG A 45 -10.576 -6.796 -6.897 1.00 0.00 C ATOM 788 NE ARG A 45 -9.732 -7.987 -6.603 1.00 0.00 N ATOM 789 CZ ARG A 45 -9.885 -9.082 -7.297 1.00 0.00 C ATOM 790 NH1 ARG A 45 -11.081 -9.469 -7.650 1.00 0.00 N ATOM 791 NH2 ARG A 45 -8.843 -9.790 -7.638 1.00 0.00 N ATOM 0 H ARG A 45 -7.236 -6.061 -8.637 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.897 -4.323 -10.438 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.696 -4.445 -8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.379 -6.051 -9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.571 -6.103 -7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.619 -4.875 -6.633 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.142 -6.486 -6.018 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.300 -7.009 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.035 -7.947 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.895 -8.916 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.201 -10.325 -8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.909 -9.488 -7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.963 -10.646 -8.180 1.00 0.00 H new ATOM 805 N HIS A 46 -6.846 -3.650 -8.240 1.00 0.00 N ATOM 806 CA HIS A 46 -6.218 -2.541 -7.473 1.00 0.00 C ATOM 807 C HIS A 46 -5.213 -1.806 -8.369 1.00 0.00 C ATOM 808 O HIS A 46 -4.861 -2.280 -9.430 1.00 0.00 O ATOM 809 CB HIS A 46 -5.476 -3.207 -6.305 1.00 0.00 C ATOM 810 CG HIS A 46 -6.188 -4.452 -5.821 1.00 0.00 C ATOM 811 ND1 HIS A 46 -6.279 -5.717 -6.347 1.00 0.00 N flip ATOM 812 CD2 HIS A 46 -6.911 -4.483 -4.638 1.00 0.00 C flip ATOM 813 CE1 HIS A 46 -7.042 -6.522 -5.507 1.00 0.00 C flip ATOM 814 NE2 HIS A 46 -7.397 -5.729 -4.493 1.00 0.00 N flip ATOM 0 H HIS A 46 -6.247 -4.460 -8.400 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.956 -1.819 -7.123 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.464 -3.466 -6.618 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.384 -2.498 -5.482 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.852 -6.021 -7.222 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.057 -3.657 -3.957 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.293 -7.563 -5.645 1.00 0.00 H new ATOM 822 N GLN A 47 -4.737 -0.661 -7.954 1.00 0.00 N ATOM 823 CA GLN A 47 -3.748 0.074 -8.791 1.00 0.00 C ATOM 824 C GLN A 47 -2.659 0.677 -7.902 1.00 0.00 C ATOM 825 O GLN A 47 -2.837 1.727 -7.321 1.00 0.00 O ATOM 826 CB GLN A 47 -4.549 1.179 -9.481 1.00 0.00 C ATOM 827 CG GLN A 47 -4.120 1.289 -10.948 1.00 0.00 C ATOM 828 CD GLN A 47 -2.609 1.535 -11.033 1.00 0.00 C ATOM 829 OE1 GLN A 47 -2.020 2.246 -10.110 1.00 0.00 O flip ATOM 830 NE2 GLN A 47 -1.959 1.074 -11.950 1.00 0.00 N flip ATOM 0 H GLN A 47 -4.990 -0.207 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.252 -0.576 -9.512 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.615 0.961 -9.419 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.388 2.130 -8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.379 0.374 -11.481 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.658 2.104 -11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.418 0.518 -12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.954 1.243 -11.998 1.00 0.00 H new ATOM 839 N VAL A 48 -1.533 0.026 -7.781 1.00 0.00 N ATOM 840 CA VAL A 48 -0.454 0.589 -6.919 1.00 0.00 C ATOM 841 C VAL A 48 0.706 1.100 -7.782 1.00 0.00 C ATOM 842 O VAL A 48 0.829 0.775 -8.946 1.00 0.00 O ATOM 843 CB VAL A 48 -0.022 -0.570 -5.984 1.00 0.00 C ATOM 844 CG1 VAL A 48 1.406 -1.062 -6.286 1.00 0.00 C ATOM 845 CG2 VAL A 48 -0.070 -0.084 -4.539 1.00 0.00 C ATOM 0 H VAL A 48 -1.315 -0.861 -8.236 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.791 1.446 -6.337 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.708 -1.401 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.663 -1.874 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.458 -1.420 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.110 -0.240 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.232 -0.892 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.609 0.760 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.085 0.228 -4.294 1.00 0.00 H new ATOM 855 N THR A 49 1.564 1.877 -7.194 1.00 0.00 N ATOM 856 CA THR A 49 2.744 2.404 -7.937 1.00 0.00 C ATOM 857 C THR A 49 3.886 2.645 -6.949 1.00 0.00 C ATOM 858 O THR A 49 3.663 2.780 -5.765 1.00 0.00 O ATOM 859 CB THR A 49 2.280 3.717 -8.578 1.00 0.00 C ATOM 860 OG1 THR A 49 3.408 4.418 -9.081 1.00 0.00 O ATOM 861 CG2 THR A 49 1.563 4.580 -7.540 1.00 0.00 C ATOM 0 H THR A 49 1.501 2.175 -6.220 1.00 0.00 H new ATOM 0 HA THR A 49 3.108 1.713 -8.697 1.00 0.00 H new ATOM 0 HB THR A 49 1.591 3.496 -9.393 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.114 5.257 -9.493 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.237 5.511 -8.004 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.696 4.042 -7.156 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.244 4.803 -6.719 1.00 0.00 H new ATOM 869 N THR A 50 5.102 2.694 -7.411 1.00 0.00 N ATOM 870 CA THR A 50 6.237 2.921 -6.468 1.00 0.00 C ATOM 871 C THR A 50 7.206 3.957 -7.039 1.00 0.00 C ATOM 872 O THR A 50 7.457 4.000 -8.227 1.00 0.00 O ATOM 873 CB THR A 50 6.923 1.560 -6.341 1.00 0.00 C ATOM 874 OG1 THR A 50 7.474 1.189 -7.597 1.00 0.00 O ATOM 875 CG2 THR A 50 5.903 0.510 -5.898 1.00 0.00 C ATOM 0 H THR A 50 5.361 2.588 -8.392 1.00 0.00 H new ATOM 0 HA THR A 50 5.900 3.302 -5.504 1.00 0.00 H new ATOM 0 HB THR A 50 7.719 1.623 -5.600 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.915 0.318 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.394 -0.459 -5.808 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.483 0.795 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.104 0.445 -6.636 1.00 0.00 H new ATOM 883 N THR A 51 7.755 4.793 -6.201 1.00 0.00 N ATOM 884 CA THR A 51 8.711 5.824 -6.696 1.00 0.00 C ATOM 885 C THR A 51 10.107 5.554 -6.126 1.00 0.00 C ATOM 886 O THR A 51 10.474 4.424 -5.872 1.00 0.00 O ATOM 887 CB THR A 51 8.166 7.159 -6.177 1.00 0.00 C ATOM 888 OG1 THR A 51 6.753 7.079 -6.041 1.00 0.00 O ATOM 889 CG2 THR A 51 8.522 8.274 -7.161 1.00 0.00 C ATOM 0 H THR A 51 7.583 4.807 -5.196 1.00 0.00 H new ATOM 0 HA THR A 51 8.800 5.821 -7.782 1.00 0.00 H new ATOM 0 HB THR A 51 8.610 7.376 -5.206 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.511 7.148 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.134 9.223 -6.791 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.605 8.339 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.081 8.056 -8.133 1.00 0.00 H new ATOM 897 N LYS A 52 10.888 6.579 -5.920 1.00 0.00 N ATOM 898 CA LYS A 52 12.256 6.372 -5.364 1.00 0.00 C ATOM 899 C LYS A 52 12.165 5.923 -3.903 1.00 0.00 C ATOM 900 O LYS A 52 12.477 4.797 -3.568 1.00 0.00 O ATOM 901 CB LYS A 52 12.935 7.738 -5.465 1.00 0.00 C ATOM 902 CG LYS A 52 12.936 8.199 -6.923 1.00 0.00 C ATOM 903 CD LYS A 52 12.627 9.696 -6.987 1.00 0.00 C ATOM 904 CE LYS A 52 13.893 10.494 -6.665 1.00 0.00 C ATOM 905 NZ LYS A 52 14.177 11.278 -7.899 1.00 0.00 N ATOM 0 H LYS A 52 10.639 7.549 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 52 12.811 5.602 -5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.411 8.464 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.957 7.677 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.906 7.998 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.194 7.639 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.261 9.960 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.837 9.946 -6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.739 11.149 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.724 9.833 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.032 11.852 -7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.325 10.628 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.372 11.903 -8.107 1.00 0.00 H new ATOM 919 N TYR A 53 11.740 6.796 -3.033 1.00 0.00 N ATOM 920 CA TYR A 53 11.626 6.426 -1.594 1.00 0.00 C ATOM 921 C TYR A 53 10.203 6.659 -1.106 1.00 0.00 C ATOM 922 O TYR A 53 9.965 6.895 0.059 1.00 0.00 O ATOM 923 CB TYR A 53 12.573 7.365 -0.866 1.00 0.00 C ATOM 924 CG TYR A 53 13.958 7.259 -1.453 1.00 0.00 C ATOM 925 CD1 TYR A 53 14.255 7.898 -2.662 1.00 0.00 C ATOM 926 CD2 TYR A 53 14.945 6.522 -0.789 1.00 0.00 C ATOM 927 CE1 TYR A 53 15.538 7.802 -3.208 1.00 0.00 C ATOM 928 CE2 TYR A 53 16.228 6.426 -1.334 1.00 0.00 C ATOM 929 CZ TYR A 53 16.527 7.065 -2.544 1.00 0.00 C ATOM 930 OH TYR A 53 17.796 6.970 -3.081 1.00 0.00 O ATOM 0 H TYR A 53 11.466 7.753 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 53 11.868 5.377 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.213 8.391 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.599 7.117 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.492 8.466 -3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.715 6.028 0.144 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.767 8.296 -4.141 1.00 0.00 H new ATOM 0 HE2 TYR A 53 16.990 5.858 -0.821 1.00 0.00 H new ATOM 0 HH TYR A 53 18.230 6.155 -2.753 1.00 0.00 H new ATOM 940 N LYS A 54 9.261 6.617 -1.992 1.00 0.00 N ATOM 941 CA LYS A 54 7.847 6.854 -1.584 1.00 0.00 C ATOM 942 C LYS A 54 6.896 6.097 -2.511 1.00 0.00 C ATOM 943 O LYS A 54 6.931 6.251 -3.715 1.00 0.00 O ATOM 944 CB LYS A 54 7.614 8.377 -1.684 1.00 0.00 C ATOM 945 CG LYS A 54 8.485 9.006 -2.786 1.00 0.00 C ATOM 946 CD LYS A 54 7.697 10.110 -3.494 1.00 0.00 C ATOM 947 CE LYS A 54 7.334 11.205 -2.487 1.00 0.00 C ATOM 948 NZ LYS A 54 6.597 12.227 -3.281 1.00 0.00 N ATOM 0 H LYS A 54 9.402 6.429 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 54 7.659 6.498 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.562 8.573 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.841 8.845 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.397 9.417 -2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.788 8.244 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.290 10.530 -4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.792 9.697 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.716 10.811 -1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.226 11.630 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.314 13.011 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.212 12.589 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.749 11.795 -3.701 1.00 0.00 H new ATOM 962 N SER A 55 6.037 5.287 -1.958 1.00 0.00 N ATOM 963 CA SER A 55 5.078 4.534 -2.807 1.00 0.00 C ATOM 964 C SER A 55 3.698 5.164 -2.713 1.00 0.00 C ATOM 965 O SER A 55 3.462 6.052 -1.923 1.00 0.00 O ATOM 966 CB SER A 55 5.038 3.117 -2.242 1.00 0.00 C ATOM 967 OG SER A 55 4.550 2.247 -3.245 1.00 0.00 O ATOM 0 H SER A 55 5.959 5.115 -0.956 1.00 0.00 H new ATOM 0 HA SER A 55 5.379 4.542 -3.854 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.034 2.808 -1.924 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.396 3.078 -1.362 1.00 0.00 H new ATOM 0 HG SER A 55 4.433 2.745 -4.081 1.00 0.00 H new ATOM 973 N THR A 56 2.785 4.708 -3.510 1.00 0.00 N ATOM 974 CA THR A 56 1.417 5.273 -3.465 1.00 0.00 C ATOM 975 C THR A 56 0.414 4.215 -3.906 1.00 0.00 C ATOM 976 O THR A 56 0.624 3.510 -4.876 1.00 0.00 O ATOM 977 CB THR A 56 1.452 6.454 -4.431 1.00 0.00 C ATOM 978 OG1 THR A 56 2.277 6.133 -5.540 1.00 0.00 O ATOM 979 CG2 THR A 56 2.026 7.669 -3.712 1.00 0.00 C ATOM 0 H THR A 56 2.927 3.965 -4.194 1.00 0.00 H new ATOM 0 HA THR A 56 1.115 5.590 -2.467 1.00 0.00 H new ATOM 0 HB THR A 56 0.443 6.673 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.299 6.890 -6.162 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.054 8.517 -4.396 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.399 7.915 -2.855 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.036 7.445 -3.370 1.00 0.00 H new ATOM 987 N PHE A 57 -0.665 4.083 -3.193 1.00 0.00 N ATOM 988 CA PHE A 57 -1.666 3.055 -3.566 1.00 0.00 C ATOM 989 C PHE A 57 -3.050 3.676 -3.735 1.00 0.00 C ATOM 990 O PHE A 57 -3.556 4.335 -2.856 1.00 0.00 O ATOM 991 CB PHE A 57 -1.654 2.067 -2.398 1.00 0.00 C ATOM 992 CG PHE A 57 -2.730 1.022 -2.584 1.00 0.00 C ATOM 993 CD1 PHE A 57 -3.024 0.532 -3.863 1.00 0.00 C ATOM 994 CD2 PHE A 57 -3.424 0.533 -1.472 1.00 0.00 C ATOM 995 CE1 PHE A 57 -4.008 -0.445 -4.030 1.00 0.00 C ATOM 996 CE2 PHE A 57 -4.412 -0.443 -1.639 1.00 0.00 C ATOM 997 CZ PHE A 57 -4.703 -0.934 -2.918 1.00 0.00 C ATOM 0 H PHE A 57 -0.896 4.641 -2.371 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.431 2.577 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.678 1.586 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.813 2.600 -1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.489 0.910 -4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.197 0.909 -0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.232 -0.823 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.951 -0.818 -0.781 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.464 -1.690 -3.046 1.00 0.00 H new ATOM 1007 N GLU A 58 -3.671 3.458 -4.858 1.00 0.00 N ATOM 1008 CA GLU A 58 -5.028 4.028 -5.076 1.00 0.00 C ATOM 1009 C GLU A 58 -5.976 2.935 -5.589 1.00 0.00 C ATOM 1010 O GLU A 58 -5.700 2.280 -6.574 1.00 0.00 O ATOM 1011 CB GLU A 58 -4.833 5.124 -6.133 1.00 0.00 C ATOM 1012 CG GLU A 58 -4.482 4.495 -7.488 1.00 0.00 C ATOM 1013 CD GLU A 58 -5.738 4.439 -8.360 1.00 0.00 C ATOM 1014 OE1 GLU A 58 -6.271 5.493 -8.664 1.00 0.00 O ATOM 1015 OE2 GLU A 58 -6.148 3.343 -8.708 1.00 0.00 O ATOM 0 H GLU A 58 -3.299 2.911 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.468 4.426 -4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.742 5.718 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.039 5.803 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.707 5.080 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.081 3.492 -7.343 1.00 0.00 H new ATOM 1022 N ILE A 59 -7.090 2.729 -4.945 1.00 0.00 N ATOM 1023 CA ILE A 59 -8.027 1.673 -5.435 1.00 0.00 C ATOM 1024 C ILE A 59 -9.129 2.312 -6.272 1.00 0.00 C ATOM 1025 O ILE A 59 -9.789 3.243 -5.854 1.00 0.00 O ATOM 1026 CB ILE A 59 -8.626 1.000 -4.203 1.00 0.00 C ATOM 1027 CG1 ILE A 59 -7.526 0.733 -3.162 1.00 0.00 C ATOM 1028 CG2 ILE A 59 -9.271 -0.323 -4.627 1.00 0.00 C ATOM 1029 CD1 ILE A 59 -8.078 -0.119 -2.015 1.00 0.00 C ATOM 0 H ILE A 59 -7.392 3.236 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.508 0.945 -6.058 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.377 1.652 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.686 0.222 -3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.147 1.678 -2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.703 -0.813 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.055 -0.128 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.515 -0.971 -5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.289 -0.301 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.903 0.408 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.435 -1.071 -2.408 1.00 0.00 H new ATOM 1041 N SER A 60 -9.322 1.818 -7.454 1.00 0.00 N ATOM 1042 CA SER A 60 -10.377 2.391 -8.344 1.00 0.00 C ATOM 1043 C SER A 60 -10.926 1.330 -9.307 1.00 0.00 C ATOM 1044 O SER A 60 -11.597 1.646 -10.268 1.00 0.00 O ATOM 1045 CB SER A 60 -9.669 3.499 -9.120 1.00 0.00 C ATOM 1046 OG SER A 60 -8.756 4.164 -8.256 1.00 0.00 O ATOM 0 H SER A 60 -8.797 1.039 -7.851 1.00 0.00 H new ATOM 0 HA SER A 60 -11.231 2.758 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.139 3.079 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.398 4.207 -9.513 1.00 0.00 H new ATOM 0 HG SER A 60 -8.552 5.052 -8.617 1.00 0.00 H new ATOM 1052 N SER A 61 -10.639 0.080 -9.070 1.00 0.00 N ATOM 1053 CA SER A 61 -11.138 -0.987 -9.988 1.00 0.00 C ATOM 1054 C SER A 61 -11.673 -2.194 -9.200 1.00 0.00 C ATOM 1055 O SER A 61 -12.105 -3.173 -9.777 1.00 0.00 O ATOM 1056 CB SER A 61 -9.911 -1.380 -10.791 1.00 0.00 C ATOM 1057 OG SER A 61 -10.049 -2.716 -11.254 1.00 0.00 O ATOM 0 H SER A 61 -10.082 -0.250 -8.282 1.00 0.00 H new ATOM 0 HA SER A 61 -11.965 -0.644 -10.610 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.786 -0.703 -11.636 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.017 -1.289 -10.175 1.00 0.00 H new ATOM 0 HG SER A 61 -10.973 -3.015 -11.120 1.00 0.00 H new ATOM 1063 N VAL A 62 -11.635 -2.131 -7.891 1.00 0.00 N ATOM 1064 CA VAL A 62 -12.127 -3.264 -7.038 1.00 0.00 C ATOM 1065 C VAL A 62 -13.396 -3.904 -7.622 1.00 0.00 C ATOM 1066 O VAL A 62 -14.173 -3.261 -8.300 1.00 0.00 O ATOM 1067 CB VAL A 62 -12.425 -2.617 -5.685 1.00 0.00 C ATOM 1068 CG1 VAL A 62 -13.574 -1.617 -5.830 1.00 0.00 C ATOM 1069 CG2 VAL A 62 -12.817 -3.697 -4.676 1.00 0.00 C ATOM 0 H VAL A 62 -11.279 -1.331 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.395 -4.069 -6.971 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.534 -2.095 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.782 -1.159 -4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.295 -0.843 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.465 -2.135 -6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -13.029 -3.235 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.705 -4.221 -5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.997 -4.406 -4.565 1.00 0.00 H new ATOM 1079 N GLN A 63 -13.602 -5.170 -7.370 1.00 0.00 N ATOM 1080 CA GLN A 63 -14.811 -5.855 -7.915 1.00 0.00 C ATOM 1081 C GLN A 63 -15.947 -5.839 -6.886 1.00 0.00 C ATOM 1082 O GLN A 63 -16.842 -5.019 -6.951 1.00 0.00 O ATOM 1083 CB GLN A 63 -14.359 -7.290 -8.192 1.00 0.00 C ATOM 1084 CG GLN A 63 -13.837 -7.394 -9.626 1.00 0.00 C ATOM 1085 CD GLN A 63 -14.716 -8.361 -10.423 1.00 0.00 C ATOM 1086 OE1 GLN A 63 -15.337 -9.241 -9.860 1.00 0.00 O ATOM 1087 NE2 GLN A 63 -14.796 -8.234 -11.719 1.00 0.00 N ATOM 0 H GLN A 63 -12.985 -5.759 -6.810 1.00 0.00 H new ATOM 0 HA GLN A 63 -15.192 -5.364 -8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.579 -7.579 -7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -15.191 -7.979 -8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -13.840 -6.411 -10.097 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.804 -7.743 -9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.275 -7.496 -12.192 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.379 -8.873 -12.259 1.00 0.00 H new ATOM 1096 N ALA A 64 -15.921 -6.742 -5.942 1.00 0.00 N ATOM 1097 CA ALA A 64 -17.002 -6.778 -4.914 1.00 0.00 C ATOM 1098 C ALA A 64 -16.617 -7.724 -3.771 1.00 0.00 C ATOM 1099 O ALA A 64 -17.461 -8.343 -3.154 1.00 0.00 O ATOM 1100 CB ALA A 64 -18.233 -7.304 -5.653 1.00 0.00 C ATOM 0 H ALA A 64 -15.199 -7.455 -5.838 1.00 0.00 H new ATOM 0 HA ALA A 64 -17.180 -5.799 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -19.075 -7.360 -4.963 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.480 -6.630 -6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.022 -8.297 -6.050 1.00 0.00 H new ATOM 1106 N SER A 65 -15.350 -7.839 -3.485 1.00 0.00 N ATOM 1107 CA SER A 65 -14.913 -8.743 -2.381 1.00 0.00 C ATOM 1108 C SER A 65 -13.507 -8.361 -1.911 1.00 0.00 C ATOM 1109 O SER A 65 -12.674 -9.207 -1.657 1.00 0.00 O ATOM 1110 CB SER A 65 -14.911 -10.143 -2.992 1.00 0.00 C ATOM 1111 OG SER A 65 -14.591 -11.091 -1.982 1.00 0.00 O ATOM 0 H SER A 65 -14.598 -7.347 -3.967 1.00 0.00 H new ATOM 0 HA SER A 65 -15.567 -8.679 -1.512 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.887 -10.367 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.185 -10.198 -3.803 1.00 0.00 H new ATOM 0 HG SER A 65 -13.781 -10.806 -1.510 1.00 0.00 H new ATOM 1117 N ASP A 66 -13.239 -7.091 -1.796 1.00 0.00 N ATOM 1118 CA ASP A 66 -11.889 -6.648 -1.345 1.00 0.00 C ATOM 1119 C ASP A 66 -11.944 -6.170 0.107 1.00 0.00 C ATOM 1120 O ASP A 66 -11.116 -5.394 0.537 1.00 0.00 O ATOM 1121 CB ASP A 66 -11.542 -5.487 -2.259 1.00 0.00 C ATOM 1122 CG ASP A 66 -10.396 -5.868 -3.201 1.00 0.00 C ATOM 1123 OD1 ASP A 66 -10.057 -7.038 -3.256 1.00 0.00 O ATOM 1124 OD2 ASP A 66 -9.881 -4.978 -3.857 1.00 0.00 O ATOM 0 H ASP A 66 -13.898 -6.338 -1.995 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.154 -7.452 -1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.418 -5.200 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.257 -4.620 -1.663 1.00 0.00 H new ATOM 1129 N GLU A 67 -12.922 -6.642 0.846 1.00 0.00 N ATOM 1130 CA GLU A 67 -13.106 -6.264 2.291 1.00 0.00 C ATOM 1131 C GLU A 67 -12.546 -4.866 2.607 1.00 0.00 C ATOM 1132 O GLU A 67 -12.717 -3.945 1.834 1.00 0.00 O ATOM 1133 CB GLU A 67 -12.398 -7.363 3.087 1.00 0.00 C ATOM 1134 CG GLU A 67 -10.988 -7.597 2.543 1.00 0.00 C ATOM 1135 CD GLU A 67 -11.042 -8.613 1.399 1.00 0.00 C ATOM 1136 OE1 GLU A 67 -11.906 -9.474 1.439 1.00 0.00 O ATOM 1137 OE2 GLU A 67 -10.221 -8.511 0.503 1.00 0.00 O ATOM 0 H GLU A 67 -13.624 -7.295 0.497 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.162 -6.196 2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.346 -7.082 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.973 -8.287 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.563 -6.658 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.337 -7.962 3.337 1.00 0.00 H new ATOM 1144 N GLY A 68 -11.903 -4.681 3.734 1.00 0.00 N ATOM 1145 CA GLY A 68 -11.386 -3.340 4.062 1.00 0.00 C ATOM 1146 C GLY A 68 -9.963 -3.385 4.609 1.00 0.00 C ATOM 1147 O GLY A 68 -9.321 -2.391 4.645 1.00 0.00 O ATOM 0 H GLY A 68 -11.720 -5.404 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.410 -2.716 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.040 -2.871 4.797 1.00 0.00 H new ATOM 1151 N ASN A 69 -9.460 -4.492 5.058 1.00 0.00 N ATOM 1152 CA ASN A 69 -8.069 -4.475 5.618 1.00 0.00 C ATOM 1153 C ASN A 69 -6.995 -4.719 4.540 1.00 0.00 C ATOM 1154 O ASN A 69 -6.995 -5.718 3.848 1.00 0.00 O ATOM 1155 CB ASN A 69 -8.054 -5.588 6.661 1.00 0.00 C ATOM 1156 CG ASN A 69 -6.662 -5.695 7.291 1.00 0.00 C ATOM 1157 OD1 ASN A 69 -5.726 -5.059 6.848 1.00 0.00 O ATOM 1158 ND2 ASN A 69 -6.485 -6.477 8.321 1.00 0.00 N ATOM 0 H ASN A 69 -9.932 -5.396 5.067 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.829 -3.499 6.040 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.797 -5.385 7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.327 -6.536 6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.563 -6.553 8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.268 -7.012 8.696 1.00 0.00 H new ATOM 1165 N TYR A 70 -6.066 -3.795 4.430 1.00 0.00 N ATOM 1166 CA TYR A 70 -4.940 -3.910 3.447 1.00 0.00 C ATOM 1167 C TYR A 70 -3.670 -3.320 4.085 1.00 0.00 C ATOM 1168 O TYR A 70 -3.761 -2.450 4.927 1.00 0.00 O ATOM 1169 CB TYR A 70 -5.369 -3.062 2.254 1.00 0.00 C ATOM 1170 CG TYR A 70 -6.243 -3.881 1.345 1.00 0.00 C ATOM 1171 CD1 TYR A 70 -5.837 -5.159 0.951 1.00 0.00 C ATOM 1172 CD2 TYR A 70 -7.460 -3.360 0.899 1.00 0.00 C ATOM 1173 CE1 TYR A 70 -6.653 -5.921 0.106 1.00 0.00 C ATOM 1174 CE2 TYR A 70 -8.278 -4.120 0.054 1.00 0.00 C ATOM 1175 CZ TYR A 70 -7.874 -5.401 -0.342 1.00 0.00 C ATOM 1176 OH TYR A 70 -8.679 -6.152 -1.173 1.00 0.00 O ATOM 0 H TYR A 70 -6.042 -2.946 4.995 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.730 -4.939 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.909 -2.179 2.597 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.492 -2.708 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.895 -5.558 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.770 -2.372 1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.341 -6.909 -0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.219 -3.719 -0.292 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.153 -6.829 -0.646 1.00 0.00 H new ATOM 1186 N SER A 71 -2.485 -3.764 3.722 1.00 0.00 N ATOM 1187 CA SER A 71 -1.277 -3.162 4.374 1.00 0.00 C ATOM 1188 C SER A 71 -0.114 -2.984 3.389 1.00 0.00 C ATOM 1189 O SER A 71 -0.245 -3.223 2.206 1.00 0.00 O ATOM 1190 CB SER A 71 -0.877 -4.114 5.503 1.00 0.00 C ATOM 1191 OG SER A 71 -1.802 -5.193 5.589 1.00 0.00 O ATOM 0 H SER A 71 -2.306 -4.490 3.028 1.00 0.00 H new ATOM 0 HA SER A 71 -1.511 -2.165 4.746 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.127 -4.500 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.848 -3.575 6.450 1.00 0.00 H new ATOM 0 HG SER A 71 -1.453 -5.875 6.200 1.00 0.00 H new ATOM 1197 N VAL A 72 1.025 -2.552 3.882 1.00 0.00 N ATOM 1198 CA VAL A 72 2.211 -2.343 2.984 1.00 0.00 C ATOM 1199 C VAL A 72 3.524 -2.570 3.738 1.00 0.00 C ATOM 1200 O VAL A 72 3.934 -1.767 4.548 1.00 0.00 O ATOM 1201 CB VAL A 72 2.125 -0.882 2.539 1.00 0.00 C ATOM 1202 CG1 VAL A 72 2.086 0.011 3.775 1.00 0.00 C ATOM 1203 CG2 VAL A 72 3.358 -0.514 1.698 1.00 0.00 C ATOM 0 H VAL A 72 1.185 -2.335 4.866 1.00 0.00 H new ATOM 0 HA VAL A 72 2.199 -3.042 2.148 1.00 0.00 H new ATOM 0 HB VAL A 72 1.225 -0.741 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.025 1.055 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.214 -0.241 4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.991 -0.142 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.288 0.528 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.260 -0.654 2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.402 -1.154 0.817 1.00 0.00 H new ATOM 1213 N VAL A 73 4.199 -3.642 3.455 1.00 0.00 N ATOM 1214 CA VAL A 73 5.496 -3.904 4.138 1.00 0.00 C ATOM 1215 C VAL A 73 6.643 -3.272 3.347 1.00 0.00 C ATOM 1216 O VAL A 73 7.088 -3.795 2.344 1.00 0.00 O ATOM 1217 CB VAL A 73 5.650 -5.426 4.178 1.00 0.00 C ATOM 1218 CG1 VAL A 73 4.508 -6.039 4.989 1.00 0.00 C ATOM 1219 CG2 VAL A 73 5.628 -5.991 2.763 1.00 0.00 C ATOM 0 H VAL A 73 3.912 -4.351 2.780 1.00 0.00 H new ATOM 0 HA VAL A 73 5.518 -3.476 5.140 1.00 0.00 H new ATOM 0 HB VAL A 73 6.603 -5.672 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.621 -7.123 5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.533 -5.647 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.555 -5.785 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.738 -7.075 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.681 -5.740 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.449 -5.563 2.188 1.00 0.00 H new ATOM 1229 N VAL A 74 7.124 -2.148 3.798 1.00 0.00 N ATOM 1230 CA VAL A 74 8.242 -1.472 3.089 1.00 0.00 C ATOM 1231 C VAL A 74 9.583 -2.010 3.637 1.00 0.00 C ATOM 1232 O VAL A 74 9.878 -1.887 4.808 1.00 0.00 O ATOM 1233 CB VAL A 74 8.012 0.034 3.381 1.00 0.00 C ATOM 1234 CG1 VAL A 74 8.991 0.582 4.430 1.00 0.00 C ATOM 1235 CG2 VAL A 74 8.172 0.825 2.084 1.00 0.00 C ATOM 0 H VAL A 74 6.788 -1.667 4.632 1.00 0.00 H new ATOM 0 HA VAL A 74 8.276 -1.649 2.014 1.00 0.00 H new ATOM 0 HB VAL A 74 7.004 0.143 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.789 1.640 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.867 0.035 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.013 0.461 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.012 1.885 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.177 0.678 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.441 0.478 1.354 1.00 0.00 H new ATOM 1245 N GLU A 75 10.380 -2.629 2.807 1.00 0.00 N ATOM 1246 CA GLU A 75 11.677 -3.190 3.299 1.00 0.00 C ATOM 1247 C GLU A 75 12.847 -2.660 2.463 1.00 0.00 C ATOM 1248 O GLU A 75 12.682 -2.285 1.320 1.00 0.00 O ATOM 1249 CB GLU A 75 11.523 -4.706 3.121 1.00 0.00 C ATOM 1250 CG GLU A 75 12.861 -5.409 3.371 1.00 0.00 C ATOM 1251 CD GLU A 75 13.525 -5.738 2.030 1.00 0.00 C ATOM 1252 OE1 GLU A 75 13.498 -4.891 1.152 1.00 0.00 O ATOM 1253 OE2 GLU A 75 14.049 -6.833 1.905 1.00 0.00 O ATOM 0 H GLU A 75 10.193 -2.771 1.814 1.00 0.00 H new ATOM 0 HA GLU A 75 11.889 -2.911 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.770 -5.086 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.171 -4.927 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.514 -4.770 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.702 -6.323 3.944 1.00 0.00 H new ATOM 1260 N ASN A 76 14.033 -2.633 3.020 1.00 0.00 N ATOM 1261 CA ASN A 76 15.202 -2.131 2.230 1.00 0.00 C ATOM 1262 C ASN A 76 16.370 -3.123 2.267 1.00 0.00 C ATOM 1263 O ASN A 76 16.209 -4.297 2.537 1.00 0.00 O ATOM 1264 CB ASN A 76 15.570 -0.760 2.848 1.00 0.00 C ATOM 1265 CG ASN A 76 16.715 -0.846 3.868 1.00 0.00 C ATOM 1266 OD1 ASN A 76 16.539 -1.365 4.946 1.00 0.00 O ATOM 1267 ND2 ASN A 76 17.882 -0.344 3.570 1.00 0.00 N ATOM 0 H ASN A 76 14.242 -2.932 3.973 1.00 0.00 H new ATOM 0 HA ASN A 76 14.958 -2.023 1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.853 -0.073 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.690 -0.339 3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.644 -0.390 4.246 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.032 0.094 2.661 1.00 0.00 H new ATOM 1274 N SER A 77 17.541 -2.637 1.981 1.00 0.00 N ATOM 1275 CA SER A 77 18.754 -3.507 1.966 1.00 0.00 C ATOM 1276 C SER A 77 18.977 -4.200 3.311 1.00 0.00 C ATOM 1277 O SER A 77 19.745 -5.136 3.410 1.00 0.00 O ATOM 1278 CB SER A 77 19.910 -2.555 1.675 1.00 0.00 C ATOM 1279 OG SER A 77 20.276 -1.891 2.879 1.00 0.00 O ATOM 0 H SER A 77 17.716 -1.658 1.753 1.00 0.00 H new ATOM 0 HA SER A 77 18.658 -4.303 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.761 -3.107 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.618 -1.828 0.918 1.00 0.00 H new ATOM 0 HG SER A 77 20.810 -1.097 2.666 1.00 0.00 H new ATOM 1285 N GLU A 78 18.333 -3.751 4.349 1.00 0.00 N ATOM 1286 CA GLU A 78 18.547 -4.406 5.678 1.00 0.00 C ATOM 1287 C GLU A 78 17.489 -3.979 6.699 1.00 0.00 C ATOM 1288 O GLU A 78 17.691 -4.085 7.893 1.00 0.00 O ATOM 1289 CB GLU A 78 19.931 -3.942 6.123 1.00 0.00 C ATOM 1290 CG GLU A 78 19.976 -2.411 6.140 1.00 0.00 C ATOM 1291 CD GLU A 78 21.218 -1.915 5.393 1.00 0.00 C ATOM 1292 OE1 GLU A 78 22.081 -2.726 5.102 1.00 0.00 O ATOM 1293 OE2 GLU A 78 21.284 -0.728 5.125 1.00 0.00 O ATOM 0 H GLU A 78 17.676 -2.971 4.342 1.00 0.00 H new ATOM 0 HA GLU A 78 18.469 -5.491 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 78 20.156 -4.334 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.692 -4.331 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.077 -2.007 5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.992 -2.051 7.169 1.00 0.00 H new ATOM 1300 N GLY A 79 16.367 -3.508 6.247 1.00 0.00 N ATOM 1301 CA GLY A 79 15.301 -3.088 7.188 1.00 0.00 C ATOM 1302 C GLY A 79 14.046 -3.906 6.898 1.00 0.00 C ATOM 1303 O GLY A 79 14.055 -4.787 6.061 1.00 0.00 O ATOM 0 H GLY A 79 16.141 -3.395 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.623 -3.242 8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.094 -2.024 7.074 1.00 0.00 H new ATOM 1307 N LYS A 80 12.962 -3.623 7.564 1.00 0.00 N ATOM 1308 CA LYS A 80 11.715 -4.393 7.293 1.00 0.00 C ATOM 1309 C LYS A 80 10.546 -3.845 8.121 1.00 0.00 C ATOM 1310 O LYS A 80 10.156 -4.421 9.117 1.00 0.00 O ATOM 1311 CB LYS A 80 12.028 -5.832 7.710 1.00 0.00 C ATOM 1312 CG LYS A 80 11.428 -6.801 6.689 1.00 0.00 C ATOM 1313 CD LYS A 80 9.902 -6.769 6.789 1.00 0.00 C ATOM 1314 CE LYS A 80 9.345 -8.173 6.542 1.00 0.00 C ATOM 1315 NZ LYS A 80 8.029 -7.953 5.880 1.00 0.00 N ATOM 0 H LYS A 80 12.884 -2.899 8.278 1.00 0.00 H new ATOM 0 HA LYS A 80 11.421 -4.323 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.106 -5.977 7.775 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.620 -6.032 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.743 -6.526 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.794 -7.811 6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.599 -6.414 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.494 -6.070 6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.013 -8.757 5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.230 -8.722 7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.584 -8.871 5.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.412 -7.400 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.171 -7.434 4.990 1.00 0.00 H new ATOM 1329 N GLN A 81 9.975 -2.747 7.707 1.00 0.00 N ATOM 1330 CA GLN A 81 8.820 -2.173 8.458 1.00 0.00 C ATOM 1331 C GLN A 81 7.591 -2.149 7.544 1.00 0.00 C ATOM 1332 O GLN A 81 7.684 -2.463 6.377 1.00 0.00 O ATOM 1333 CB GLN A 81 9.251 -0.752 8.832 1.00 0.00 C ATOM 1334 CG GLN A 81 8.156 -0.095 9.674 1.00 0.00 C ATOM 1335 CD GLN A 81 8.682 1.196 10.300 1.00 0.00 C ATOM 1336 OE1 GLN A 81 9.864 1.332 10.544 1.00 0.00 O ATOM 1337 NE2 GLN A 81 7.842 2.155 10.574 1.00 0.00 N ATOM 0 H GLN A 81 10.258 -2.221 6.880 1.00 0.00 H new ATOM 0 HA GLN A 81 8.558 -2.752 9.344 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.187 -0.779 9.390 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.433 -0.166 7.931 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.287 0.120 9.052 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.826 -0.780 10.455 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.850 2.038 10.368 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.177 3.022 10.994 1.00 0.00 H new ATOM 1346 N GLU A 82 6.440 -1.793 8.054 1.00 0.00 N ATOM 1347 CA GLU A 82 5.225 -1.766 7.188 1.00 0.00 C ATOM 1348 C GLU A 82 4.252 -0.679 7.647 1.00 0.00 C ATOM 1349 O GLU A 82 4.534 0.101 8.534 1.00 0.00 O ATOM 1350 CB GLU A 82 4.596 -3.156 7.346 1.00 0.00 C ATOM 1351 CG GLU A 82 4.058 -3.334 8.769 1.00 0.00 C ATOM 1352 CD GLU A 82 2.550 -3.591 8.714 1.00 0.00 C ATOM 1353 OE1 GLU A 82 1.921 -3.108 7.787 1.00 0.00 O ATOM 1354 OE2 GLU A 82 2.051 -4.269 9.597 1.00 0.00 O ATOM 0 H GLU A 82 6.290 -1.522 9.026 1.00 0.00 H new ATOM 0 HA GLU A 82 5.470 -1.541 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.788 -3.282 6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.337 -3.925 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.562 -4.167 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.265 -2.443 9.362 1.00 0.00 H new ATOM 1361 N ALA A 83 3.103 -0.640 7.042 1.00 0.00 N ATOM 1362 CA ALA A 83 2.079 0.371 7.412 1.00 0.00 C ATOM 1363 C ALA A 83 0.702 -0.260 7.245 1.00 0.00 C ATOM 1364 O ALA A 83 0.235 -0.464 6.141 1.00 0.00 O ATOM 1365 CB ALA A 83 2.276 1.515 6.419 1.00 0.00 C ATOM 0 H ALA A 83 2.825 -1.276 6.295 1.00 0.00 H new ATOM 0 HA ALA A 83 2.166 0.723 8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.554 2.305 6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.287 1.912 6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.128 1.146 5.404 1.00 0.00 H new ATOM 1371 N GLU A 84 0.063 -0.611 8.322 1.00 0.00 N ATOM 1372 CA GLU A 84 -1.263 -1.270 8.199 1.00 0.00 C ATOM 1373 C GLU A 84 -2.406 -0.250 8.186 1.00 0.00 C ATOM 1374 O GLU A 84 -2.486 0.639 9.010 1.00 0.00 O ATOM 1375 CB GLU A 84 -1.369 -2.179 9.422 1.00 0.00 C ATOM 1376 CG GLU A 84 -1.198 -3.637 8.991 1.00 0.00 C ATOM 1377 CD GLU A 84 -2.435 -4.091 8.210 1.00 0.00 C ATOM 1378 OE1 GLU A 84 -2.914 -3.319 7.396 1.00 0.00 O ATOM 1379 OE2 GLU A 84 -2.879 -5.204 8.437 1.00 0.00 O ATOM 0 H GLU A 84 0.398 -0.472 9.275 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.345 -1.821 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.606 -1.913 10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.336 -2.043 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.307 -3.742 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.055 -4.271 9.866 1.00 0.00 H new ATOM 1386 N PHE A 85 -3.302 -0.411 7.257 1.00 0.00 N ATOM 1387 CA PHE A 85 -4.485 0.487 7.144 1.00 0.00 C ATOM 1388 C PHE A 85 -5.629 -0.350 6.591 1.00 0.00 C ATOM 1389 O PHE A 85 -5.463 -1.528 6.365 1.00 0.00 O ATOM 1390 CB PHE A 85 -4.078 1.583 6.154 1.00 0.00 C ATOM 1391 CG PHE A 85 -3.634 0.962 4.847 1.00 0.00 C ATOM 1392 CD1 PHE A 85 -4.575 0.375 3.990 1.00 0.00 C ATOM 1393 CD2 PHE A 85 -2.281 0.979 4.488 1.00 0.00 C ATOM 1394 CE1 PHE A 85 -4.162 -0.195 2.780 1.00 0.00 C ATOM 1395 CE2 PHE A 85 -1.870 0.408 3.277 1.00 0.00 C ATOM 1396 CZ PHE A 85 -2.810 -0.178 2.424 1.00 0.00 C ATOM 0 H PHE A 85 -3.264 -1.147 6.552 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.797 0.930 8.090 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.917 2.257 5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.270 2.182 6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.620 0.362 4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.554 1.433 5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.888 -0.648 2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.826 0.420 3.002 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.492 -0.618 1.490 1.00 0.00 H new ATOM 1406 N THR A 86 -6.778 0.214 6.359 1.00 0.00 N ATOM 1407 CA THR A 86 -7.877 -0.618 5.807 1.00 0.00 C ATOM 1408 C THR A 86 -8.764 0.180 4.843 1.00 0.00 C ATOM 1409 O THR A 86 -9.379 1.162 5.205 1.00 0.00 O ATOM 1410 CB THR A 86 -8.680 -1.106 7.015 1.00 0.00 C ATOM 1411 OG1 THR A 86 -9.333 -0.004 7.629 1.00 0.00 O ATOM 1412 CG2 THR A 86 -7.746 -1.782 8.018 1.00 0.00 C ATOM 0 H THR A 86 -7.001 1.196 6.524 1.00 0.00 H new ATOM 0 HA THR A 86 -7.481 -1.450 5.225 1.00 0.00 H new ATOM 0 HB THR A 86 -9.427 -1.827 6.684 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.546 0.670 6.950 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.322 -2.128 8.876 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.256 -2.632 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.992 -1.069 8.351 1.00 0.00 H new ATOM 1420 N LEU A 87 -8.845 -0.272 3.615 1.00 0.00 N ATOM 1421 CA LEU A 87 -9.701 0.394 2.597 1.00 0.00 C ATOM 1422 C LEU A 87 -10.920 -0.479 2.368 1.00 0.00 C ATOM 1423 O LEU A 87 -10.872 -1.468 1.665 1.00 0.00 O ATOM 1424 CB LEU A 87 -8.833 0.445 1.348 1.00 0.00 C ATOM 1425 CG LEU A 87 -7.827 1.618 1.374 1.00 0.00 C ATOM 1426 CD1 LEU A 87 -7.868 2.443 2.676 1.00 0.00 C ATOM 1427 CD2 LEU A 87 -6.415 1.054 1.197 1.00 0.00 C ATOM 0 H LEU A 87 -8.342 -1.091 3.274 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.044 1.387 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.289 -0.494 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.471 0.537 0.469 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.106 2.292 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.135 3.248 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.863 2.867 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.635 1.798 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.693 1.870 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.196 0.360 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.349 0.530 0.243 1.00 0.00 H new ATOM 1439 N THR A 88 -11.993 -0.130 2.996 1.00 0.00 N ATOM 1440 CA THR A 88 -13.234 -0.961 2.898 1.00 0.00 C ATOM 1441 C THR A 88 -14.136 -0.565 1.743 1.00 0.00 C ATOM 1442 O THR A 88 -14.025 0.493 1.153 1.00 0.00 O ATOM 1443 CB THR A 88 -13.965 -0.764 4.229 1.00 0.00 C ATOM 1444 OG1 THR A 88 -13.051 -0.322 5.227 1.00 0.00 O ATOM 1445 CG2 THR A 88 -14.583 -2.093 4.656 1.00 0.00 C ATOM 0 H THR A 88 -12.076 0.701 3.582 1.00 0.00 H new ATOM 0 HA THR A 88 -12.967 -2.000 2.707 1.00 0.00 H new ATOM 0 HB THR A 88 -14.745 -0.012 4.107 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.527 -0.197 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.106 -1.963 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.288 -2.428 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.797 -2.838 4.775 1.00 0.00 H new ATOM 1453 N ILE A 89 -15.035 -1.453 1.434 1.00 0.00 N ATOM 1454 CA ILE A 89 -15.985 -1.237 0.328 1.00 0.00 C ATOM 1455 C ILE A 89 -17.371 -1.752 0.731 1.00 0.00 C ATOM 1456 O ILE A 89 -17.507 -2.633 1.557 1.00 0.00 O ATOM 1457 CB ILE A 89 -15.393 -2.012 -0.865 1.00 0.00 C ATOM 1458 CG1 ILE A 89 -14.777 -3.360 -0.433 1.00 0.00 C ATOM 1459 CG2 ILE A 89 -14.276 -1.165 -1.468 1.00 0.00 C ATOM 1460 CD1 ILE A 89 -15.787 -4.201 0.345 1.00 0.00 C ATOM 0 H ILE A 89 -15.148 -2.343 1.920 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.118 -0.186 0.073 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.197 -2.211 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -14.443 -3.909 -1.313 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.897 -3.180 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.838 -1.691 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.683 -0.211 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.508 -0.987 -0.716 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -15.326 -5.145 0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -16.101 -3.659 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -16.655 -4.400 -0.283 1.00 0.00 H new ATOM 1472 N GLN A 90 -18.403 -1.186 0.181 1.00 0.00 N ATOM 1473 CA GLN A 90 -19.784 -1.625 0.550 1.00 0.00 C ATOM 1474 C GLN A 90 -20.609 -1.922 -0.703 1.00 0.00 C ATOM 1475 O GLN A 90 -21.685 -1.391 -0.890 1.00 0.00 O ATOM 1476 CB GLN A 90 -20.392 -0.446 1.315 1.00 0.00 C ATOM 1477 CG GLN A 90 -19.561 -0.146 2.565 1.00 0.00 C ATOM 1478 CD GLN A 90 -20.198 -0.822 3.781 1.00 0.00 C ATOM 1479 OE1 GLN A 90 -20.835 -1.951 3.627 1.00 0.00 O flip ATOM 1480 NE2 GLN A 90 -20.115 -0.318 4.884 1.00 0.00 N flip ATOM 0 H GLN A 90 -18.356 -0.437 -0.510 1.00 0.00 H new ATOM 0 HA GLN A 90 -19.770 -2.538 1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -20.428 0.434 0.673 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -21.419 -0.677 1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -18.541 -0.505 2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -19.502 0.931 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -19.618 0.564 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -20.543 -0.777 5.688 1.00 0.00 H new ATOM 1489 N LYS A 91 -20.118 -2.768 -1.559 1.00 0.00 N ATOM 1490 CA LYS A 91 -20.875 -3.103 -2.798 1.00 0.00 C ATOM 1491 C LYS A 91 -20.680 -4.579 -3.155 1.00 0.00 C ATOM 1492 O LYS A 91 -21.462 -5.085 -3.944 1.00 0.00 O ATOM 1493 CB LYS A 91 -20.276 -2.206 -3.880 1.00 0.00 C ATOM 1494 CG LYS A 91 -21.043 -2.401 -5.190 1.00 0.00 C ATOM 1495 CD LYS A 91 -20.271 -1.746 -6.337 1.00 0.00 C ATOM 1496 CE LYS A 91 -20.576 -2.481 -7.644 1.00 0.00 C ATOM 1497 NZ LYS A 91 -19.278 -2.522 -8.373 1.00 0.00 N ATOM 1498 OXT LYS A 91 -19.753 -5.177 -2.634 1.00 0.00 O ATOM 0 H LYS A 91 -19.222 -3.245 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.947 -2.944 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.325 -1.162 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -19.223 -2.446 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -21.179 -3.464 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.038 -1.962 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -20.550 -0.696 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -19.201 -1.775 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -20.954 -3.485 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -21.338 -1.958 -8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.448 -2.758 -9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -18.815 -1.593 -8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.663 -3.244 -7.947 1.00 0.00 H new TER 1512 LYS A 91