USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 605 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 LEU N :NH3+ 168:sc= -0.0108 (180deg=-0.142) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0196) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -59:sc= 0.107 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 135:sc= 0.308 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.19 K(o=-1.2,f=-4.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -20.9! C(o=-21!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= -0.352 (180deg=-1.49!) USER MOD Single : A 37 SER OG : rot -158:sc= -1.82! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= -0.0576 (180deg=-0.0576) USER MOD Single : A 46 TYR OH : rot -165:sc= -2.54! USER MOD Single : A 47 LYS NZ :NH3+ -145:sc= -1.86 (180deg=-4.59!) USER MOD Single : A 49 GLN : amide:sc= -4.11 K(o=-4.1,f=-4.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0383) USER MOD Single : A 58 ASN : amide:sc= -1.13 K(o=-1.1,f=-3.6!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= -0.0971 (180deg=-0.378) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 42:sc= 0.0278 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -23.049 -14.165 8.456 1.00 0.00 N ATOM 2 CA LEU A 1 -22.496 -13.574 7.209 1.00 0.00 C ATOM 3 C LEU A 1 -22.334 -14.635 6.122 1.00 0.00 C ATOM 4 O LEU A 1 -21.402 -14.579 5.319 1.00 0.00 O ATOM 5 CB LEU A 1 -21.145 -12.931 7.532 1.00 0.00 C ATOM 6 CG LEU A 1 -21.178 -11.413 7.710 1.00 0.00 C ATOM 7 CD1 LEU A 1 -19.818 -10.898 8.152 1.00 0.00 C ATOM 8 CD2 LEU A 1 -21.613 -10.735 6.421 1.00 0.00 C ATOM 0 H1 LEU A 1 -22.960 -13.480 9.234 1.00 0.00 H new ATOM 0 H2 LEU A 1 -24.052 -14.399 8.314 1.00 0.00 H new ATOM 0 H3 LEU A 1 -22.522 -15.029 8.694 1.00 0.00 H new ATOM 0 HA LEU A 1 -23.187 -12.821 6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -20.755 -13.380 8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -20.444 -13.173 6.733 1.00 0.00 H new ATOM 0 HG LEU A 1 -21.904 -11.173 8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -19.861 -9.816 8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -19.545 -11.359 9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -19.071 -11.149 7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -21.631 -9.655 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -20.911 -10.983 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -22.610 -11.081 6.146 1.00 0.00 H new ATOM 22 N LYS A 2 -23.248 -15.598 6.104 1.00 0.00 N ATOM 23 CA LYS A 2 -23.209 -16.670 5.117 1.00 0.00 C ATOM 24 C LYS A 2 -21.930 -17.490 5.256 1.00 0.00 C ATOM 25 O LYS A 2 -21.088 -17.208 6.111 1.00 0.00 O ATOM 26 CB LYS A 2 -23.310 -16.097 3.704 1.00 0.00 C ATOM 27 CG LYS A 2 -24.458 -15.115 3.527 1.00 0.00 C ATOM 28 CD LYS A 2 -24.718 -14.819 2.059 1.00 0.00 C ATOM 29 CE LYS A 2 -26.120 -14.274 1.841 1.00 0.00 C ATOM 30 NZ LYS A 2 -27.147 -15.351 1.897 1.00 0.00 N ATOM 0 H LYS A 2 -24.025 -15.658 6.762 1.00 0.00 H new ATOM 0 HA LYS A 2 -24.062 -17.325 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.374 -15.597 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -23.431 -16.917 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -25.360 -15.523 3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -24.228 -14.187 4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -23.986 -14.098 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -24.585 -15.729 1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -26.340 -13.522 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -26.169 -13.775 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -28.073 -14.962 1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -26.887 -16.113 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -27.199 -15.731 2.864 1.00 0.00 H new ATOM 44 N LYS A 3 -21.789 -18.507 4.413 1.00 0.00 N ATOM 45 CA LYS A 3 -20.613 -19.368 4.440 1.00 0.00 C ATOM 46 C LYS A 3 -19.464 -18.749 3.649 1.00 0.00 C ATOM 47 O LYS A 3 -19.640 -18.336 2.503 1.00 0.00 O ATOM 48 CB LYS A 3 -20.953 -20.749 3.874 1.00 0.00 C ATOM 49 CG LYS A 3 -20.276 -21.892 4.611 1.00 0.00 C ATOM 50 CD LYS A 3 -18.793 -21.965 4.283 1.00 0.00 C ATOM 51 CE LYS A 3 -18.138 -23.172 4.936 1.00 0.00 C ATOM 52 NZ LYS A 3 -16.676 -23.225 4.664 1.00 0.00 N ATOM 0 H LYS A 3 -22.476 -18.755 3.701 1.00 0.00 H new ATOM 0 HA LYS A 3 -20.297 -19.476 5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -22.033 -20.892 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.664 -20.783 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.406 -21.762 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.756 -22.834 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.660 -22.018 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.299 -21.054 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -18.306 -23.138 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.609 -24.084 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.267 -24.062 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.516 -23.283 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.222 -22.367 5.037 1.00 0.00 H new ATOM 66 N THR A 4 -18.288 -18.686 4.274 1.00 0.00 N ATOM 67 CA THR A 4 -17.098 -18.118 3.640 1.00 0.00 C ATOM 68 C THR A 4 -17.422 -16.824 2.896 1.00 0.00 C ATOM 69 O THR A 4 -17.462 -16.796 1.666 1.00 0.00 O ATOM 70 CB THR A 4 -16.467 -19.133 2.681 1.00 0.00 C ATOM 71 OG1 THR A 4 -15.407 -18.539 1.953 1.00 0.00 O ATOM 72 CG2 THR A 4 -17.445 -19.707 1.678 1.00 0.00 C ATOM 0 H THR A 4 -18.134 -19.023 5.224 1.00 0.00 H new ATOM 0 HA THR A 4 -16.385 -17.882 4.430 1.00 0.00 H new ATOM 0 HB THR A 4 -16.110 -19.944 3.316 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.747 -17.772 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.929 -20.418 1.032 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.251 -20.216 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 4 -17.860 -18.901 1.072 1.00 0.00 H new ATOM 80 N SER A 5 -17.653 -15.755 3.651 1.00 0.00 N ATOM 81 CA SER A 5 -17.972 -14.459 3.065 1.00 0.00 C ATOM 82 C SER A 5 -17.001 -13.387 3.550 1.00 0.00 C ATOM 83 O SER A 5 -17.388 -12.238 3.764 1.00 0.00 O ATOM 84 CB SER A 5 -19.408 -14.059 3.412 1.00 0.00 C ATOM 85 OG SER A 5 -20.015 -13.355 2.345 1.00 0.00 O ATOM 0 H SER A 5 -17.625 -15.761 4.671 1.00 0.00 H new ATOM 0 HA SER A 5 -17.877 -14.545 1.983 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.991 -14.951 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.409 -13.438 4.308 1.00 0.00 H new ATOM 0 HG SER A 5 -20.932 -13.113 2.592 1.00 0.00 H new ATOM 91 N SER A 6 -15.741 -13.771 3.721 1.00 0.00 N ATOM 92 CA SER A 6 -14.717 -12.842 4.181 1.00 0.00 C ATOM 93 C SER A 6 -14.291 -11.900 3.057 1.00 0.00 C ATOM 94 O SER A 6 -13.825 -12.343 2.007 1.00 0.00 O ATOM 95 CB SER A 6 -13.503 -13.610 4.710 1.00 0.00 C ATOM 96 OG SER A 6 -13.379 -13.461 6.113 1.00 0.00 O ATOM 0 H SER A 6 -15.405 -14.718 3.548 1.00 0.00 H new ATOM 0 HA SER A 6 -15.139 -12.244 4.989 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.600 -14.667 4.460 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.598 -13.248 4.221 1.00 0.00 H new ATOM 0 HG SER A 6 -12.598 -13.962 6.427 1.00 0.00 H new ATOM 102 N SER A 7 -14.459 -10.603 3.284 1.00 0.00 N ATOM 103 CA SER A 7 -14.093 -9.600 2.291 1.00 0.00 C ATOM 104 C SER A 7 -12.578 -9.491 2.158 1.00 0.00 C ATOM 105 O SER A 7 -11.837 -10.326 2.682 1.00 0.00 O ATOM 106 CB SER A 7 -14.682 -8.237 2.669 1.00 0.00 C ATOM 107 OG SER A 7 -13.888 -7.593 3.650 1.00 0.00 O ATOM 0 H SER A 7 -14.846 -10.221 4.147 1.00 0.00 H new ATOM 0 HA SER A 7 -14.502 -9.912 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.750 -7.608 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.696 -8.368 3.046 1.00 0.00 H new ATOM 0 HG SER A 7 -14.284 -6.725 3.873 1.00 0.00 H new ATOM 113 N GLY A 8 -12.121 -8.458 1.456 1.00 0.00 N ATOM 114 CA GLY A 8 -10.696 -8.261 1.269 1.00 0.00 C ATOM 115 C GLY A 8 -10.149 -7.135 2.122 1.00 0.00 C ATOM 116 O GLY A 8 -10.616 -6.911 3.238 1.00 0.00 O ATOM 0 H GLY A 8 -12.713 -7.755 1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.170 -9.184 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.497 -8.047 0.219 1.00 0.00 H new ATOM 120 N LEU A 9 -9.159 -6.422 1.596 1.00 0.00 N ATOM 121 CA LEU A 9 -8.550 -5.311 2.312 1.00 0.00 C ATOM 122 C LEU A 9 -8.190 -4.202 1.341 1.00 0.00 C ATOM 123 O LEU A 9 -7.696 -4.462 0.246 1.00 0.00 O ATOM 124 CB LEU A 9 -7.302 -5.776 3.065 1.00 0.00 C ATOM 125 CG LEU A 9 -7.549 -6.834 4.142 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.417 -7.851 4.165 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.707 -6.181 5.507 1.00 0.00 C ATOM 0 H LEU A 9 -8.761 -6.596 0.673 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.269 -4.930 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.589 -6.174 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.834 -4.909 3.531 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.475 -7.357 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.612 -8.595 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.351 -8.344 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.476 -7.344 4.379 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.882 -6.950 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.799 -5.631 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.553 -5.494 5.486 1.00 0.00 H new ATOM 139 N TYR A 10 -8.429 -2.966 1.748 1.00 0.00 N ATOM 140 CA TYR A 10 -8.118 -1.828 0.905 1.00 0.00 C ATOM 141 C TYR A 10 -6.822 -1.182 1.356 1.00 0.00 C ATOM 142 O TYR A 10 -6.774 -0.500 2.378 1.00 0.00 O ATOM 143 CB TYR A 10 -9.265 -0.820 0.931 1.00 0.00 C ATOM 144 CG TYR A 10 -10.615 -1.449 0.669 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.967 -1.870 -0.603 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.532 -1.626 1.694 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.196 -2.451 -0.852 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.766 -2.206 1.455 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.091 -2.617 0.181 1.00 0.00 C ATOM 150 OH TYR A 10 -14.317 -3.196 -0.062 1.00 0.00 O ATOM 0 H TYR A 10 -8.835 -2.728 2.653 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.991 -2.173 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.284 -0.325 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.079 -0.048 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.267 -1.742 -1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.280 -1.306 2.694 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.453 -2.773 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.470 -2.336 2.263 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.829 -3.240 0.772 1.00 0.00 H new ATOM 160 N LYS A 11 -5.772 -1.399 0.579 1.00 0.00 N ATOM 161 CA LYS A 11 -4.463 -0.833 0.889 1.00 0.00 C ATOM 162 C LYS A 11 -3.936 -0.036 -0.297 1.00 0.00 C ATOM 163 O LYS A 11 -4.295 -0.309 -1.441 1.00 0.00 O ATOM 164 CB LYS A 11 -3.478 -1.944 1.250 1.00 0.00 C ATOM 165 CG LYS A 11 -4.075 -3.026 2.135 1.00 0.00 C ATOM 166 CD LYS A 11 -4.233 -4.340 1.386 1.00 0.00 C ATOM 167 CE LYS A 11 -2.890 -4.880 0.918 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.734 -6.327 1.231 1.00 0.00 N ATOM 0 H LYS A 11 -5.798 -1.962 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.569 -0.164 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.107 -2.401 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.619 -1.505 1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.437 -3.178 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.047 -2.699 2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.716 -5.073 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.887 -4.194 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.792 -4.729 -0.157 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.087 -4.317 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.346 -6.822 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.086 -6.440 2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.661 -6.732 1.473 1.00 0.00 H new ATOM 182 N VAL A 12 -3.083 0.950 -0.029 1.00 0.00 N ATOM 183 CA VAL A 12 -2.525 1.763 -1.102 1.00 0.00 C ATOM 184 C VAL A 12 -1.065 1.382 -1.355 1.00 0.00 C ATOM 185 O VAL A 12 -0.328 1.079 -0.423 1.00 0.00 O ATOM 186 CB VAL A 12 -2.630 3.285 -0.810 1.00 0.00 C ATOM 187 CG1 VAL A 12 -2.949 4.051 -2.077 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.690 3.594 0.238 1.00 0.00 C ATOM 0 H VAL A 12 -2.768 1.201 0.908 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.117 1.560 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.661 3.598 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.018 5.115 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.159 3.886 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.899 3.704 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.729 4.670 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.662 3.248 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.440 3.086 1.169 1.00 0.00 H new ATOM 198 N GLN A 13 -0.661 1.369 -2.623 1.00 0.00 N ATOM 199 CA GLN A 13 0.707 0.998 -2.988 1.00 0.00 C ATOM 200 C GLN A 13 1.297 1.982 -3.992 1.00 0.00 C ATOM 201 O GLN A 13 0.650 2.341 -4.975 1.00 0.00 O ATOM 202 CB GLN A 13 0.732 -0.416 -3.569 1.00 0.00 C ATOM 203 CG GLN A 13 2.135 -0.975 -3.753 1.00 0.00 C ATOM 204 CD GLN A 13 2.131 -2.412 -4.237 1.00 0.00 C ATOM 205 OE1 GLN A 13 1.422 -3.260 -3.694 1.00 0.00 O ATOM 206 NE2 GLN A 13 2.927 -2.694 -5.260 1.00 0.00 N ATOM 0 H GLN A 13 -1.258 1.610 -3.414 1.00 0.00 H new ATOM 0 HA GLN A 13 1.316 1.028 -2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.169 -1.079 -2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.222 -0.413 -4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.678 -0.356 -4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.673 -0.916 -2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.498 -1.960 -5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.968 -3.645 -5.627 1.00 0.00 H new ATOM 215 N ILE A 14 2.523 2.428 -3.732 1.00 0.00 N ATOM 216 CA ILE A 14 3.179 3.388 -4.612 1.00 0.00 C ATOM 217 C ILE A 14 4.285 2.764 -5.463 1.00 0.00 C ATOM 218 O ILE A 14 4.833 3.431 -6.340 1.00 0.00 O ATOM 219 CB ILE A 14 3.767 4.570 -3.823 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.696 4.056 -2.715 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.650 5.437 -3.262 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.241 4.383 -1.308 1.00 0.00 C ATOM 0 H ILE A 14 3.078 2.142 -2.925 1.00 0.00 H new ATOM 0 HA ILE A 14 2.395 3.744 -5.281 1.00 0.00 H new ATOM 0 HB ILE A 14 4.361 5.190 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.789 2.974 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.690 4.477 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.080 6.270 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.043 5.823 -4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.026 4.841 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.957 3.981 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.176 5.465 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.262 3.939 -1.130 1.00 0.00 H new ATOM 234 N GLY A 15 4.611 1.486 -5.236 1.00 0.00 N ATOM 235 CA GLY A 15 5.647 0.868 -6.050 1.00 0.00 C ATOM 236 C GLY A 15 6.261 -0.386 -5.454 1.00 0.00 C ATOM 237 O GLY A 15 6.006 -0.738 -4.303 1.00 0.00 O ATOM 0 H GLY A 15 4.190 0.887 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.225 0.621 -7.024 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.439 1.597 -6.221 1.00 0.00 H new ATOM 241 N ALA A 16 7.104 -1.037 -6.257 1.00 0.00 N ATOM 242 CA ALA A 16 7.818 -2.244 -5.852 1.00 0.00 C ATOM 243 C ALA A 16 9.145 -2.333 -6.606 1.00 0.00 C ATOM 244 O ALA A 16 9.199 -2.062 -7.806 1.00 0.00 O ATOM 245 CB ALA A 16 6.968 -3.490 -6.088 1.00 0.00 C ATOM 0 H ALA A 16 7.310 -0.739 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 16 8.024 -2.189 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.525 -4.374 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.048 -3.418 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.724 -3.569 -7.147 1.00 0.00 H new ATOM 251 N PHE A 17 10.214 -2.702 -5.908 1.00 0.00 N ATOM 252 CA PHE A 17 11.531 -2.810 -6.532 1.00 0.00 C ATOM 253 C PHE A 17 12.343 -3.936 -5.907 1.00 0.00 C ATOM 254 O PHE A 17 12.174 -4.259 -4.734 1.00 0.00 O ATOM 255 CB PHE A 17 12.296 -1.490 -6.402 1.00 0.00 C ATOM 256 CG PHE A 17 11.424 -0.271 -6.506 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.758 0.215 -5.393 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.276 0.391 -7.715 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.957 1.337 -5.484 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.475 1.512 -7.812 1.00 0.00 C ATOM 261 CZ PHE A 17 9.814 1.986 -6.694 1.00 0.00 C ATOM 0 H PHE A 17 10.196 -2.931 -4.914 1.00 0.00 H new ATOM 0 HA PHE A 17 11.380 -3.035 -7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.814 -1.474 -5.443 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.060 -1.446 -7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.866 -0.289 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.793 0.026 -8.590 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.443 1.706 -4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.365 2.018 -8.760 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.187 2.862 -6.767 1.00 0.00 H new ATOM 271 N LYS A 18 13.225 -4.528 -6.702 1.00 0.00 N ATOM 272 CA LYS A 18 14.069 -5.624 -6.236 1.00 0.00 C ATOM 273 C LYS A 18 14.978 -5.195 -5.086 1.00 0.00 C ATOM 274 O LYS A 18 15.589 -6.037 -4.427 1.00 0.00 O ATOM 275 CB LYS A 18 14.915 -6.166 -7.390 1.00 0.00 C ATOM 276 CG LYS A 18 15.774 -7.359 -7.008 1.00 0.00 C ATOM 277 CD LYS A 18 16.572 -7.873 -8.195 1.00 0.00 C ATOM 278 CE LYS A 18 15.789 -8.909 -8.986 1.00 0.00 C ATOM 279 NZ LYS A 18 16.523 -9.349 -10.204 1.00 0.00 N ATOM 0 H LYS A 18 13.376 -4.267 -7.677 1.00 0.00 H new ATOM 0 HA LYS A 18 13.409 -6.408 -5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.256 -6.452 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.559 -5.369 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.455 -7.076 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.140 -8.157 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.835 -7.039 -8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.506 -8.311 -7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.587 -9.773 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.824 -8.492 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.956 -10.055 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.694 -8.530 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.433 -9.770 -9.928 1.00 0.00 H new ATOM 293 N VAL A 19 15.083 -3.888 -4.850 1.00 0.00 N ATOM 294 CA VAL A 19 15.936 -3.382 -3.783 1.00 0.00 C ATOM 295 C VAL A 19 15.122 -2.838 -2.610 1.00 0.00 C ATOM 296 O VAL A 19 14.216 -2.024 -2.790 1.00 0.00 O ATOM 297 CB VAL A 19 16.874 -2.274 -4.295 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.900 -1.905 -3.234 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.560 -2.706 -5.581 1.00 0.00 C ATOM 0 H VAL A 19 14.592 -3.168 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 19 16.528 -4.229 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 19 16.274 -1.389 -4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.553 -1.120 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.387 -1.547 -2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.496 -2.783 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.219 -1.910 -5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.146 -3.607 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.808 -2.912 -6.343 1.00 0.00 H new ATOM 309 N LYS A 20 15.466 -3.295 -1.411 1.00 0.00 N ATOM 310 CA LYS A 20 14.792 -2.871 -0.194 1.00 0.00 C ATOM 311 C LYS A 20 15.152 -1.432 0.143 1.00 0.00 C ATOM 312 O LYS A 20 14.294 -0.654 0.553 1.00 0.00 O ATOM 313 CB LYS A 20 15.169 -3.788 0.970 1.00 0.00 C ATOM 314 CG LYS A 20 14.411 -3.485 2.254 1.00 0.00 C ATOM 315 CD LYS A 20 15.351 -3.368 3.444 1.00 0.00 C ATOM 316 CE LYS A 20 15.856 -1.945 3.618 1.00 0.00 C ATOM 317 NZ LYS A 20 17.192 -1.905 4.273 1.00 0.00 N ATOM 0 H LYS A 20 16.218 -3.967 -1.258 1.00 0.00 H new ATOM 0 HA LYS A 20 13.716 -2.933 -0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.981 -4.822 0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.239 -3.699 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.853 -2.556 2.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.682 -4.273 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.834 -3.685 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.197 -4.041 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.915 -1.459 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 20 15.142 -1.377 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.500 -0.917 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.131 -2.345 5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.880 -2.425 3.691 1.00 0.00 H new ATOM 331 N ALA A 21 16.421 -1.072 -0.047 1.00 0.00 N ATOM 332 CA ALA A 21 16.866 0.289 0.225 1.00 0.00 C ATOM 333 C ALA A 21 15.998 1.277 -0.537 1.00 0.00 C ATOM 334 O ALA A 21 15.707 2.375 -0.059 1.00 0.00 O ATOM 335 CB ALA A 21 18.331 0.457 -0.154 1.00 0.00 C ATOM 0 H ALA A 21 17.151 -1.699 -0.385 1.00 0.00 H new ATOM 0 HA ALA A 21 16.768 0.487 1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.646 1.479 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.939 -0.237 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.458 0.249 -1.216 1.00 0.00 H new ATOM 341 N ASN A 22 15.559 0.856 -1.719 1.00 0.00 N ATOM 342 CA ASN A 22 14.691 1.676 -2.545 1.00 0.00 C ATOM 343 C ASN A 22 13.278 1.639 -1.983 1.00 0.00 C ATOM 344 O ASN A 22 12.534 2.615 -2.072 1.00 0.00 O ATOM 345 CB ASN A 22 14.699 1.179 -3.992 1.00 0.00 C ATOM 346 CG ASN A 22 16.087 1.192 -4.600 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.088 1.307 -3.891 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.157 1.075 -5.921 1.00 0.00 N ATOM 0 H ASN A 22 15.793 -0.051 -2.124 1.00 0.00 H new ATOM 0 HA ASN A 22 15.057 2.703 -2.537 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.299 0.166 -4.027 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.037 1.804 -4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 22 17.065 1.078 -6.386 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.303 0.982 -6.471 1.00 0.00 H new ATOM 355 N ALA A 23 12.918 0.502 -1.386 1.00 0.00 N ATOM 356 CA ALA A 23 11.597 0.342 -0.792 1.00 0.00 C ATOM 357 C ALA A 23 11.487 1.123 0.518 1.00 0.00 C ATOM 358 O ALA A 23 10.387 1.434 0.977 1.00 0.00 O ATOM 359 CB ALA A 23 11.298 -1.131 -0.556 1.00 0.00 C ATOM 0 H ALA A 23 13.522 -0.316 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 23 10.861 0.743 -1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.308 -1.235 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.327 -1.665 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.044 -1.550 0.119 1.00 0.00 H new ATOM 365 N ASP A 24 12.636 1.438 1.114 1.00 0.00 N ATOM 366 CA ASP A 24 12.673 2.182 2.368 1.00 0.00 C ATOM 367 C ASP A 24 12.577 3.681 2.108 1.00 0.00 C ATOM 368 O ASP A 24 11.912 4.409 2.845 1.00 0.00 O ATOM 369 CB ASP A 24 13.959 1.862 3.136 1.00 0.00 C ATOM 370 CG ASP A 24 13.684 1.421 4.560 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.615 0.825 4.803 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.542 1.671 5.434 1.00 0.00 O ATOM 0 H ASP A 24 13.554 1.188 0.746 1.00 0.00 H new ATOM 0 HA ASP A 24 11.816 1.881 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.505 1.077 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.601 2.743 3.148 1.00 0.00 H new ATOM 377 N SER A 25 13.233 4.135 1.043 1.00 0.00 N ATOM 378 CA SER A 25 13.201 5.545 0.680 1.00 0.00 C ATOM 379 C SER A 25 11.795 5.929 0.235 1.00 0.00 C ATOM 380 O SER A 25 11.314 7.028 0.517 1.00 0.00 O ATOM 381 CB SER A 25 14.203 5.833 -0.438 1.00 0.00 C ATOM 382 OG SER A 25 13.949 7.089 -1.043 1.00 0.00 O ATOM 0 H SER A 25 13.790 3.549 0.421 1.00 0.00 H new ATOM 0 HA SER A 25 13.477 6.139 1.551 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.216 5.819 -0.035 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.148 5.046 -1.190 1.00 0.00 H new ATOM 0 HG SER A 25 14.605 7.249 -1.753 1.00 0.00 H new ATOM 388 N LEU A 26 11.143 5.002 -0.452 1.00 0.00 N ATOM 389 CA LEU A 26 9.786 5.210 -0.937 1.00 0.00 C ATOM 390 C LEU A 26 8.813 5.296 0.236 1.00 0.00 C ATOM 391 O LEU A 26 8.040 6.250 0.354 1.00 0.00 O ATOM 392 CB LEU A 26 9.395 4.067 -1.877 1.00 0.00 C ATOM 393 CG LEU A 26 8.020 4.194 -2.535 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.939 5.451 -3.385 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.725 2.964 -3.378 1.00 0.00 C ATOM 0 H LEU A 26 11.536 4.091 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 26 9.742 6.150 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.148 3.992 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.425 3.133 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 26 7.270 4.269 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.952 5.518 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.109 6.326 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.698 5.412 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.744 3.067 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.484 2.864 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.736 2.077 -2.744 1.00 0.00 H new ATOM 407 N ALA A 27 8.876 4.304 1.121 1.00 0.00 N ATOM 408 CA ALA A 27 8.016 4.282 2.298 1.00 0.00 C ATOM 409 C ALA A 27 8.239 5.533 3.142 1.00 0.00 C ATOM 410 O ALA A 27 7.360 5.957 3.893 1.00 0.00 O ATOM 411 CB ALA A 27 8.281 3.029 3.121 1.00 0.00 C ATOM 0 H ALA A 27 9.511 3.509 1.045 1.00 0.00 H new ATOM 0 HA ALA A 27 6.976 4.268 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.632 3.025 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.078 2.146 2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.323 3.018 3.441 1.00 0.00 H new ATOM 417 N SER A 28 9.423 6.124 3.002 1.00 0.00 N ATOM 418 CA SER A 28 9.774 7.332 3.737 1.00 0.00 C ATOM 419 C SER A 28 9.005 8.534 3.192 1.00 0.00 C ATOM 420 O SER A 28 8.513 9.367 3.952 1.00 0.00 O ATOM 421 CB SER A 28 11.280 7.588 3.656 1.00 0.00 C ATOM 422 OG SER A 28 11.889 7.449 4.927 1.00 0.00 O ATOM 0 H SER A 28 10.158 5.782 2.382 1.00 0.00 H new ATOM 0 HA SER A 28 9.500 7.189 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.734 6.889 2.953 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.461 8.591 3.270 1.00 0.00 H new ATOM 0 HG SER A 28 12.852 7.616 4.849 1.00 0.00 H new ATOM 428 N ASN A 29 8.899 8.611 1.865 1.00 0.00 N ATOM 429 CA ASN A 29 8.185 9.710 1.226 1.00 0.00 C ATOM 430 C ASN A 29 6.736 9.747 1.697 1.00 0.00 C ATOM 431 O ASN A 29 6.216 10.806 2.051 1.00 0.00 O ATOM 432 CB ASN A 29 8.257 9.582 -0.305 1.00 0.00 C ATOM 433 CG ASN A 29 7.130 8.764 -0.909 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.952 9.077 -0.740 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.486 7.714 -1.630 1.00 0.00 N ATOM 0 H ASN A 29 9.296 7.930 1.218 1.00 0.00 H new ATOM 0 HA ASN A 29 8.663 10.647 1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.244 10.580 -0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.209 9.127 -0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.773 7.131 -2.069 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.473 7.487 -1.747 1.00 0.00 H new ATOM 442 N ALA A 30 6.092 8.586 1.694 1.00 0.00 N ATOM 443 CA ALA A 30 4.706 8.489 2.122 1.00 0.00 C ATOM 444 C ALA A 30 4.560 8.926 3.570 1.00 0.00 C ATOM 445 O ALA A 30 3.607 9.615 3.933 1.00 0.00 O ATOM 446 CB ALA A 30 4.195 7.072 1.939 1.00 0.00 C ATOM 0 H ALA A 30 6.508 7.702 1.400 1.00 0.00 H new ATOM 0 HA ALA A 30 4.107 9.156 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.156 7.015 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.262 6.794 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.799 6.388 2.534 1.00 0.00 H new ATOM 452 N GLU A 31 5.519 8.521 4.399 1.00 0.00 N ATOM 453 CA GLU A 31 5.500 8.875 5.814 1.00 0.00 C ATOM 454 C GLU A 31 5.410 10.388 5.977 1.00 0.00 C ATOM 455 O GLU A 31 4.737 10.889 6.877 1.00 0.00 O ATOM 456 CB GLU A 31 6.752 8.344 6.514 1.00 0.00 C ATOM 457 CG GLU A 31 6.701 8.474 8.027 1.00 0.00 C ATOM 458 CD GLU A 31 8.082 8.524 8.655 1.00 0.00 C ATOM 459 OE1 GLU A 31 8.665 7.445 8.889 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.578 9.642 8.911 1.00 0.00 O ATOM 0 H GLU A 31 6.315 7.950 4.116 1.00 0.00 H new ATOM 0 HA GLU A 31 4.624 8.418 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.888 7.295 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.623 8.882 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.152 9.378 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.147 7.632 8.442 1.00 0.00 H new ATOM 467 N ALA A 32 6.086 11.105 5.086 1.00 0.00 N ATOM 468 CA ALA A 32 6.084 12.565 5.108 1.00 0.00 C ATOM 469 C ALA A 32 4.657 13.089 5.108 1.00 0.00 C ATOM 470 O ALA A 32 4.282 13.898 5.956 1.00 0.00 O ATOM 471 CB ALA A 32 6.854 13.113 3.915 1.00 0.00 C ATOM 0 H ALA A 32 6.645 10.698 4.336 1.00 0.00 H new ATOM 0 HA ALA A 32 6.577 12.902 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.844 14.203 3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.884 12.758 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.386 12.771 2.992 1.00 0.00 H new ATOM 477 N LYS A 33 3.854 12.605 4.163 1.00 0.00 N ATOM 478 CA LYS A 33 2.459 13.014 4.085 1.00 0.00 C ATOM 479 C LYS A 33 1.740 12.586 5.354 1.00 0.00 C ATOM 480 O LYS A 33 0.779 13.221 5.789 1.00 0.00 O ATOM 481 CB LYS A 33 1.783 12.388 2.869 1.00 0.00 C ATOM 482 CG LYS A 33 1.959 13.193 1.593 1.00 0.00 C ATOM 483 CD LYS A 33 0.936 14.315 1.498 1.00 0.00 C ATOM 484 CE LYS A 33 1.531 15.650 1.916 1.00 0.00 C ATOM 485 NZ LYS A 33 2.814 15.932 1.213 1.00 0.00 N ATOM 0 H LYS A 33 4.144 11.937 3.449 1.00 0.00 H new ATOM 0 HA LYS A 33 2.412 14.098 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.186 11.387 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.718 12.275 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.965 13.612 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.861 12.535 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.566 14.385 0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.080 14.083 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.818 16.447 1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.699 15.651 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.898 16.954 1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.610 15.613 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.831 15.426 0.305 1.00 0.00 H new ATOM 499 N GLY A 34 2.234 11.504 5.952 1.00 0.00 N ATOM 500 CA GLY A 34 1.660 10.998 7.176 1.00 0.00 C ATOM 501 C GLY A 34 0.916 9.696 6.973 1.00 0.00 C ATOM 502 O GLY A 34 -0.067 9.420 7.662 1.00 0.00 O ATOM 0 H GLY A 34 3.029 10.969 5.602 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.452 10.850 7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.978 11.742 7.588 1.00 0.00 H new ATOM 506 N PHE A 35 1.392 8.889 6.031 1.00 0.00 N ATOM 507 CA PHE A 35 0.773 7.607 5.748 1.00 0.00 C ATOM 508 C PHE A 35 1.551 6.477 6.401 1.00 0.00 C ATOM 509 O PHE A 35 2.744 6.608 6.678 1.00 0.00 O ATOM 510 CB PHE A 35 0.698 7.382 4.240 1.00 0.00 C ATOM 511 CG PHE A 35 0.163 8.563 3.485 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.797 9.391 4.047 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.628 8.848 2.215 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.285 10.479 3.352 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.146 9.938 1.515 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.813 10.752 2.084 1.00 0.00 C ATOM 0 H PHE A 35 2.204 9.103 5.453 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.236 7.616 6.160 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.694 7.142 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.066 6.517 4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.167 9.182 5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.376 8.212 1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.034 11.115 3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.519 10.153 0.524 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.194 11.602 1.537 1.00 0.00 H new ATOM 526 N ASP A 36 0.875 5.362 6.631 1.00 0.00 N ATOM 527 CA ASP A 36 1.510 4.202 7.235 1.00 0.00 C ATOM 528 C ASP A 36 2.189 3.371 6.157 1.00 0.00 C ATOM 529 O ASP A 36 1.554 2.533 5.517 1.00 0.00 O ATOM 530 CB ASP A 36 0.480 3.354 7.984 1.00 0.00 C ATOM 531 CG ASP A 36 1.039 2.757 9.260 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.827 1.791 9.168 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.690 3.254 10.352 1.00 0.00 O ATOM 0 H ASP A 36 -0.112 5.236 6.409 1.00 0.00 H new ATOM 0 HA ASP A 36 2.258 4.543 7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.387 3.969 8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.132 2.552 7.333 1.00 0.00 H new ATOM 538 N SER A 37 3.476 3.621 5.936 1.00 0.00 N ATOM 539 CA SER A 37 4.217 2.907 4.909 1.00 0.00 C ATOM 540 C SER A 37 4.647 1.534 5.399 1.00 0.00 C ATOM 541 O SER A 37 4.737 1.288 6.602 1.00 0.00 O ATOM 542 CB SER A 37 5.443 3.715 4.479 1.00 0.00 C ATOM 543 OG SER A 37 6.454 3.675 5.471 1.00 0.00 O ATOM 0 H SER A 37 4.023 4.310 6.453 1.00 0.00 H new ATOM 0 HA SER A 37 3.558 2.774 4.051 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.833 3.319 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.154 4.749 4.292 1.00 0.00 H new ATOM 0 HG SER A 37 7.055 4.441 5.357 1.00 0.00 H new ATOM 549 N ILE A 38 4.886 0.639 4.452 1.00 0.00 N ATOM 550 CA ILE A 38 5.277 -0.725 4.768 1.00 0.00 C ATOM 551 C ILE A 38 6.016 -1.361 3.593 1.00 0.00 C ATOM 552 O ILE A 38 5.636 -1.177 2.437 1.00 0.00 O ATOM 553 CB ILE A 38 4.032 -1.568 5.117 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.347 -3.068 5.070 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.893 -1.226 4.164 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.675 -3.861 6.172 1.00 0.00 C ATOM 0 H ILE A 38 4.815 0.835 3.454 1.00 0.00 H new ATOM 0 HA ILE A 38 5.946 -0.697 5.628 1.00 0.00 H new ATOM 0 HB ILE A 38 3.726 -1.328 6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.035 -3.467 4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.426 -3.207 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.017 -1.824 4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.648 -0.168 4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.198 -1.441 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.942 -4.914 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.005 -3.489 7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.593 -3.752 6.091 1.00 0.00 H new ATOM 568 N VAL A 39 7.071 -2.107 3.895 1.00 0.00 N ATOM 569 CA VAL A 39 7.858 -2.767 2.863 1.00 0.00 C ATOM 570 C VAL A 39 7.734 -4.283 2.961 1.00 0.00 C ATOM 571 O VAL A 39 8.238 -4.893 3.904 1.00 0.00 O ATOM 572 CB VAL A 39 9.344 -2.378 2.955 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.119 -2.936 1.770 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.498 -0.867 3.036 1.00 0.00 C ATOM 0 H VAL A 39 7.401 -2.270 4.846 1.00 0.00 H new ATOM 0 HA VAL A 39 7.462 -2.435 1.903 1.00 0.00 H new ATOM 0 HB VAL A 39 9.756 -2.812 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.167 -2.650 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.039 -4.023 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.706 -2.535 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.556 -0.612 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.068 -0.409 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.981 -0.495 3.921 1.00 0.00 H new ATOM 584 N LEU A 40 7.066 -4.890 1.982 1.00 0.00 N ATOM 585 CA LEU A 40 6.888 -6.338 1.969 1.00 0.00 C ATOM 586 C LEU A 40 7.793 -6.981 0.928 1.00 0.00 C ATOM 587 O LEU A 40 7.735 -6.648 -0.254 1.00 0.00 O ATOM 588 CB LEU A 40 5.422 -6.701 1.688 1.00 0.00 C ATOM 589 CG LEU A 40 5.196 -7.978 0.859 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.970 -9.152 1.447 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.711 -8.301 0.778 1.00 0.00 C ATOM 0 H LEU A 40 6.642 -4.404 1.192 1.00 0.00 H new ATOM 0 HA LEU A 40 7.160 -6.721 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.906 -6.813 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.953 -5.865 1.168 1.00 0.00 H new ATOM 0 HG LEU A 40 5.568 -7.801 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.794 -10.043 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.035 -8.921 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.635 -9.334 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.567 -9.207 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.317 -8.455 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.184 -7.473 0.305 1.00 0.00 H new ATOM 603 N LEU A 41 8.629 -7.904 1.375 1.00 0.00 N ATOM 604 CA LEU A 41 9.544 -8.595 0.483 1.00 0.00 C ATOM 605 C LEU A 41 8.879 -9.816 -0.148 1.00 0.00 C ATOM 606 O LEU A 41 8.611 -10.812 0.524 1.00 0.00 O ATOM 607 CB LEU A 41 10.812 -9.009 1.241 1.00 0.00 C ATOM 608 CG LEU A 41 11.559 -10.222 0.677 1.00 0.00 C ATOM 609 CD1 LEU A 41 11.820 -10.049 -0.811 1.00 0.00 C ATOM 610 CD2 LEU A 41 12.865 -10.437 1.427 1.00 0.00 C ATOM 0 H LEU A 41 8.692 -8.192 2.351 1.00 0.00 H new ATOM 0 HA LEU A 41 9.820 -7.910 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.496 -8.160 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.541 -9.221 2.275 1.00 0.00 H new ATOM 0 HG LEU A 41 10.933 -11.104 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.351 -10.922 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.871 -9.944 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.425 -9.157 -0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.383 -11.302 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.494 -9.553 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.654 -10.610 2.482 1.00 0.00 H new ATOM 622 N LYS A 42 8.649 -9.736 -1.453 1.00 0.00 N ATOM 623 CA LYS A 42 8.054 -10.835 -2.197 1.00 0.00 C ATOM 624 C LYS A 42 9.165 -11.708 -2.764 1.00 0.00 C ATOM 625 O LYS A 42 10.328 -11.313 -2.756 1.00 0.00 O ATOM 626 CB LYS A 42 7.144 -10.318 -3.318 1.00 0.00 C ATOM 627 CG LYS A 42 7.894 -9.898 -4.565 1.00 0.00 C ATOM 628 CD LYS A 42 7.941 -11.013 -5.600 1.00 0.00 C ATOM 629 CE LYS A 42 9.070 -10.813 -6.586 1.00 0.00 C ATOM 630 NZ LYS A 42 8.614 -10.990 -7.994 1.00 0.00 N ATOM 0 H LYS A 42 8.868 -8.916 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 42 7.433 -11.426 -1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.427 -11.096 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.571 -9.469 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.415 -9.020 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.910 -9.608 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.063 -11.972 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.993 -11.053 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.488 -9.814 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.870 -11.522 -6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.416 -10.845 -8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.239 -11.952 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.868 -10.297 -8.207 1.00 0.00 H new ATOM 644 N ASP A 43 8.810 -12.898 -3.225 1.00 0.00 N ATOM 645 CA ASP A 43 9.791 -13.829 -3.771 1.00 0.00 C ATOM 646 C ASP A 43 10.575 -13.237 -4.948 1.00 0.00 C ATOM 647 O ASP A 43 10.447 -13.707 -6.080 1.00 0.00 O ATOM 648 CB ASP A 43 9.102 -15.123 -4.202 1.00 0.00 C ATOM 649 CG ASP A 43 10.000 -16.336 -4.048 1.00 0.00 C ATOM 650 OD1 ASP A 43 10.528 -16.545 -2.934 1.00 0.00 O ATOM 651 OD2 ASP A 43 10.175 -17.076 -5.038 1.00 0.00 O ATOM 0 H ASP A 43 7.850 -13.243 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 43 10.509 -14.037 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.199 -15.265 -3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.789 -15.036 -5.243 1.00 0.00 H new ATOM 656 N GLY A 44 11.404 -12.226 -4.679 1.00 0.00 N ATOM 657 CA GLY A 44 12.203 -11.630 -5.740 1.00 0.00 C ATOM 658 C GLY A 44 12.204 -10.106 -5.755 1.00 0.00 C ATOM 659 O GLY A 44 13.113 -9.500 -6.324 1.00 0.00 O ATOM 0 H GLY A 44 11.535 -11.813 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.231 -11.980 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.833 -11.989 -6.700 1.00 0.00 H new ATOM 663 N LEU A 45 11.198 -9.478 -5.154 1.00 0.00 N ATOM 664 CA LEU A 45 11.120 -8.013 -5.145 1.00 0.00 C ATOM 665 C LEU A 45 10.566 -7.465 -3.831 1.00 0.00 C ATOM 666 O LEU A 45 9.989 -8.193 -3.031 1.00 0.00 O ATOM 667 CB LEU A 45 10.229 -7.505 -6.286 1.00 0.00 C ATOM 668 CG LEU A 45 10.518 -8.082 -7.673 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.541 -7.519 -8.694 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.950 -7.783 -8.084 1.00 0.00 C ATOM 0 H LEU A 45 10.433 -9.949 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 45 12.143 -7.658 -5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.191 -7.722 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.324 -6.420 -6.339 1.00 0.00 H new ATOM 0 HG LEU A 45 10.391 -9.164 -7.633 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.759 -7.939 -9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.523 -7.780 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.640 -6.434 -8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.139 -8.200 -9.073 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.103 -6.704 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.636 -8.230 -7.364 1.00 0.00 H new ATOM 682 N TYR A 46 10.731 -6.158 -3.646 1.00 0.00 N ATOM 683 CA TYR A 46 10.234 -5.461 -2.464 1.00 0.00 C ATOM 684 C TYR A 46 9.150 -4.469 -2.874 1.00 0.00 C ATOM 685 O TYR A 46 9.280 -3.794 -3.892 1.00 0.00 O ATOM 686 CB TYR A 46 11.369 -4.713 -1.761 1.00 0.00 C ATOM 687 CG TYR A 46 12.273 -5.602 -0.941 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.130 -6.502 -1.557 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.268 -5.545 0.446 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.957 -7.321 -0.815 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.094 -6.358 1.197 1.00 0.00 C ATOM 692 CZ TYR A 46 13.936 -7.245 0.562 1.00 0.00 C ATOM 693 OH TYR A 46 14.760 -8.060 1.305 1.00 0.00 O ATOM 0 H TYR A 46 11.213 -5.553 -4.311 1.00 0.00 H new ATOM 0 HA TYR A 46 9.820 -6.197 -1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.968 -4.195 -2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.940 -3.950 -1.112 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.151 -6.563 -2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.607 -4.853 0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.617 -8.018 -1.310 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.080 -6.299 2.275 1.00 0.00 H new ATOM 0 HH TYR A 46 14.463 -8.061 2.239 1.00 0.00 H new ATOM 703 N LYS A 47 8.082 -4.379 -2.095 1.00 0.00 N ATOM 704 CA LYS A 47 6.994 -3.457 -2.415 1.00 0.00 C ATOM 705 C LYS A 47 6.777 -2.452 -1.301 1.00 0.00 C ATOM 706 O LYS A 47 7.144 -2.690 -0.153 1.00 0.00 O ATOM 707 CB LYS A 47 5.695 -4.218 -2.683 1.00 0.00 C ATOM 708 CG LYS A 47 5.912 -5.570 -3.334 1.00 0.00 C ATOM 709 CD LYS A 47 5.966 -6.677 -2.293 1.00 0.00 C ATOM 710 CE LYS A 47 4.867 -7.694 -2.516 1.00 0.00 C ATOM 711 NZ LYS A 47 3.551 -7.214 -2.009 1.00 0.00 N ATOM 0 H LYS A 47 7.943 -4.925 -1.245 1.00 0.00 H new ATOM 0 HA LYS A 47 7.282 -2.917 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.164 -4.358 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.054 -3.613 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.107 -5.770 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.841 -5.557 -3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.936 -7.172 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.870 -6.247 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.787 -7.914 -3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.129 -8.627 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.012 -8.017 -1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.704 -6.511 -1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.017 -6.778 -2.788 1.00 0.00 H new ATOM 725 N VAL A 48 6.179 -1.324 -1.657 1.00 0.00 N ATOM 726 CA VAL A 48 5.912 -0.268 -0.696 1.00 0.00 C ATOM 727 C VAL A 48 4.436 0.105 -0.676 1.00 0.00 C ATOM 728 O VAL A 48 3.912 0.679 -1.632 1.00 0.00 O ATOM 729 CB VAL A 48 6.758 0.978 -1.006 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.461 2.096 -0.015 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.237 0.627 -0.994 1.00 0.00 C ATOM 0 H VAL A 48 5.870 -1.118 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 48 6.185 -0.648 0.288 1.00 0.00 H new ATOM 0 HB VAL A 48 6.494 1.334 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.072 2.967 -0.255 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.406 2.365 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.692 1.758 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.824 1.518 -1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.512 0.245 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.436 -0.135 -1.748 1.00 0.00 H new ATOM 741 N GLN A 49 3.772 -0.227 0.426 1.00 0.00 N ATOM 742 CA GLN A 49 2.358 0.068 0.591 1.00 0.00 C ATOM 743 C GLN A 49 2.160 1.154 1.645 1.00 0.00 C ATOM 744 O GLN A 49 2.845 1.172 2.668 1.00 0.00 O ATOM 745 CB GLN A 49 1.604 -1.206 0.987 1.00 0.00 C ATOM 746 CG GLN A 49 0.140 -0.980 1.331 1.00 0.00 C ATOM 747 CD GLN A 49 -0.300 -1.777 2.544 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.667 -2.946 2.434 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.264 -1.144 3.711 1.00 0.00 N ATOM 0 H GLN A 49 4.196 -0.704 1.222 1.00 0.00 H new ATOM 0 HA GLN A 49 1.960 0.434 -0.356 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.667 -1.922 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.102 -1.658 1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.027 0.081 1.517 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.478 -1.255 0.476 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.048 -0.174 3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.548 -1.628 4.563 1.00 0.00 H new ATOM 758 N ILE A 50 1.215 2.054 1.394 1.00 0.00 N ATOM 759 CA ILE A 50 0.929 3.131 2.324 1.00 0.00 C ATOM 760 C ILE A 50 -0.570 3.312 2.531 1.00 0.00 C ATOM 761 O ILE A 50 -1.325 3.532 1.588 1.00 0.00 O ATOM 762 CB ILE A 50 1.579 4.449 1.872 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.267 4.752 0.403 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.080 4.358 2.092 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.227 5.830 0.217 1.00 0.00 C ATOM 0 H ILE A 50 0.637 2.056 0.554 1.00 0.00 H new ATOM 0 HA ILE A 50 1.365 2.850 3.283 1.00 0.00 H new ATOM 0 HB ILE A 50 1.168 5.267 2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.186 5.054 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.923 3.839 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.551 5.288 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.283 4.191 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.484 3.530 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.057 5.992 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.705 5.522 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.577 6.756 0.673 1.00 0.00 H new ATOM 777 N GLY A 51 -0.977 3.218 3.788 1.00 0.00 N ATOM 778 CA GLY A 51 -2.372 3.370 4.149 1.00 0.00 C ATOM 779 C GLY A 51 -3.186 2.113 3.903 1.00 0.00 C ATOM 780 O GLY A 51 -3.591 1.839 2.774 1.00 0.00 O ATOM 0 H GLY A 51 -0.355 3.036 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.442 3.642 5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.802 4.193 3.578 1.00 0.00 H new ATOM 784 N ALA A 52 -3.432 1.354 4.966 1.00 0.00 N ATOM 785 CA ALA A 52 -4.214 0.127 4.868 1.00 0.00 C ATOM 786 C ALA A 52 -5.421 0.196 5.796 1.00 0.00 C ATOM 787 O ALA A 52 -5.277 0.409 6.998 1.00 0.00 O ATOM 788 CB ALA A 52 -3.350 -1.080 5.205 1.00 0.00 C ATOM 0 H ALA A 52 -3.100 1.568 5.907 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.570 0.020 3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.948 -1.988 5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.514 -1.135 4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.969 -0.982 6.221 1.00 0.00 H new ATOM 794 N PHE A 53 -6.614 0.031 5.231 1.00 0.00 N ATOM 795 CA PHE A 53 -7.838 0.097 6.022 1.00 0.00 C ATOM 796 C PHE A 53 -8.870 -0.916 5.540 1.00 0.00 C ATOM 797 O PHE A 53 -8.712 -1.534 4.484 1.00 0.00 O ATOM 798 CB PHE A 53 -8.432 1.507 5.961 1.00 0.00 C ATOM 799 CG PHE A 53 -7.402 2.599 5.918 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.646 2.810 4.776 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.189 3.413 7.018 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.697 3.813 4.732 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.242 4.419 6.980 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.494 4.619 5.836 1.00 0.00 C ATOM 0 H PHE A 53 -6.758 -0.148 4.237 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.579 -0.145 7.053 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.067 1.585 5.079 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.073 1.659 6.830 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.800 2.183 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.770 3.260 7.916 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.114 3.967 3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.087 5.048 7.844 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.752 5.403 5.804 1.00 0.00 H new ATOM 814 N SER A 54 -9.935 -1.070 6.322 1.00 0.00 N ATOM 815 CA SER A 54 -11.009 -1.995 5.986 1.00 0.00 C ATOM 816 C SER A 54 -11.959 -1.378 4.962 1.00 0.00 C ATOM 817 O SER A 54 -12.742 -2.082 4.326 1.00 0.00 O ATOM 818 CB SER A 54 -11.784 -2.390 7.245 1.00 0.00 C ATOM 819 OG SER A 54 -12.286 -1.247 7.913 1.00 0.00 O ATOM 0 H SER A 54 -10.076 -0.563 7.196 1.00 0.00 H new ATOM 0 HA SER A 54 -10.562 -2.888 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.609 -3.050 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.133 -2.951 7.916 1.00 0.00 H new ATOM 0 HG SER A 54 -12.779 -1.526 8.713 1.00 0.00 H new ATOM 825 N SER A 55 -11.883 -0.055 4.804 1.00 0.00 N ATOM 826 CA SER A 55 -12.736 0.652 3.855 1.00 0.00 C ATOM 827 C SER A 55 -11.907 1.268 2.729 1.00 0.00 C ATOM 828 O SER A 55 -10.903 1.936 2.976 1.00 0.00 O ATOM 829 CB SER A 55 -13.534 1.743 4.571 1.00 0.00 C ATOM 830 OG SER A 55 -14.862 1.810 4.078 1.00 0.00 O ATOM 0 H SER A 55 -11.240 0.545 5.321 1.00 0.00 H new ATOM 0 HA SER A 55 -13.427 -0.069 3.419 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.550 1.543 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.043 2.706 4.434 1.00 0.00 H new ATOM 0 HG SER A 55 -15.352 2.514 4.553 1.00 0.00 H new ATOM 836 N LYS A 56 -12.335 1.034 1.492 1.00 0.00 N ATOM 837 CA LYS A 56 -11.637 1.561 0.327 1.00 0.00 C ATOM 838 C LYS A 56 -11.528 3.081 0.384 1.00 0.00 C ATOM 839 O LYS A 56 -10.521 3.655 -0.030 1.00 0.00 O ATOM 840 CB LYS A 56 -12.347 1.151 -0.959 1.00 0.00 C ATOM 841 CG LYS A 56 -11.583 1.547 -2.207 1.00 0.00 C ATOM 842 CD LYS A 56 -11.685 0.480 -3.281 1.00 0.00 C ATOM 843 CE LYS A 56 -13.115 0.313 -3.770 1.00 0.00 C ATOM 844 NZ LYS A 56 -13.561 1.476 -4.587 1.00 0.00 N ATOM 0 H LYS A 56 -13.164 0.482 1.272 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.632 1.140 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.496 0.071 -0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.336 1.609 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.973 2.490 -2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.535 1.714 -1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.042 0.745 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.321 -0.469 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.192 -0.598 -4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.780 0.194 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.501 1.280 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.609 2.324 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.884 1.637 -5.360 1.00 0.00 H new ATOM 858 N ASP A 57 -12.572 3.731 0.895 1.00 0.00 N ATOM 859 CA ASP A 57 -12.591 5.189 1.000 1.00 0.00 C ATOM 860 C ASP A 57 -11.281 5.710 1.580 1.00 0.00 C ATOM 861 O ASP A 57 -10.827 6.803 1.239 1.00 0.00 O ATOM 862 CB ASP A 57 -13.766 5.643 1.871 1.00 0.00 C ATOM 863 CG ASP A 57 -14.258 7.028 1.498 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.414 7.905 1.220 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.490 7.237 1.488 1.00 0.00 O ATOM 0 H ASP A 57 -13.414 3.272 1.242 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.711 5.599 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.585 4.930 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.463 5.637 2.918 1.00 0.00 H new ATOM 870 N ASN A 58 -10.679 4.915 2.456 1.00 0.00 N ATOM 871 CA ASN A 58 -9.417 5.287 3.081 1.00 0.00 C ATOM 872 C ASN A 58 -8.273 5.158 2.083 1.00 0.00 C ATOM 873 O ASN A 58 -7.461 6.071 1.929 1.00 0.00 O ATOM 874 CB ASN A 58 -9.149 4.408 4.305 1.00 0.00 C ATOM 875 CG ASN A 58 -10.266 4.490 5.328 1.00 0.00 C ATOM 876 OD1 ASN A 58 -11.371 4.001 5.097 1.00 0.00 O ATOM 877 ND2 ASN A 58 -9.980 5.109 6.468 1.00 0.00 N ATOM 0 H ASN A 58 -11.045 4.009 2.749 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.485 6.326 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.026 3.373 3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.211 4.712 4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.691 5.193 7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.050 5.500 6.617 1.00 0.00 H new ATOM 884 N ALA A 59 -8.219 4.020 1.404 1.00 0.00 N ATOM 885 CA ALA A 59 -7.183 3.764 0.412 1.00 0.00 C ATOM 886 C ALA A 59 -7.225 4.797 -0.704 1.00 0.00 C ATOM 887 O ALA A 59 -6.191 5.320 -1.111 1.00 0.00 O ATOM 888 CB ALA A 59 -7.345 2.365 -0.157 1.00 0.00 C ATOM 0 H ALA A 59 -8.884 3.256 1.523 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.213 3.840 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.567 2.181 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.261 1.633 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.324 2.275 -0.629 1.00 0.00 H new ATOM 894 N ASP A 60 -8.421 5.086 -1.207 1.00 0.00 N ATOM 895 CA ASP A 60 -8.584 6.055 -2.285 1.00 0.00 C ATOM 896 C ASP A 60 -8.053 7.428 -1.879 1.00 0.00 C ATOM 897 O ASP A 60 -7.238 8.021 -2.586 1.00 0.00 O ATOM 898 CB ASP A 60 -10.056 6.164 -2.681 1.00 0.00 C ATOM 899 CG ASP A 60 -10.467 5.102 -3.682 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.726 4.899 -4.668 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.529 4.476 -3.483 1.00 0.00 O ATOM 0 H ASP A 60 -9.292 4.663 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.006 5.704 -3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.676 6.078 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.243 7.151 -3.105 1.00 0.00 H new ATOM 906 N THR A 61 -8.525 7.930 -0.742 1.00 0.00 N ATOM 907 CA THR A 61 -8.097 9.235 -0.249 1.00 0.00 C ATOM 908 C THR A 61 -6.589 9.272 -0.038 1.00 0.00 C ATOM 909 O THR A 61 -5.945 10.298 -0.254 1.00 0.00 O ATOM 910 CB THR A 61 -8.822 9.574 1.054 1.00 0.00 C ATOM 911 OG1 THR A 61 -8.572 10.914 1.436 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.429 8.685 2.216 1.00 0.00 C ATOM 0 H THR A 61 -9.202 7.454 -0.146 1.00 0.00 H new ATOM 0 HA THR A 61 -8.353 9.982 -1.001 1.00 0.00 H new ATOM 0 HB THR A 61 -9.879 9.414 0.839 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.046 11.110 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.983 8.984 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.661 7.648 1.975 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.360 8.783 2.404 1.00 0.00 H new ATOM 920 N LEU A 62 -6.030 8.140 0.373 1.00 0.00 N ATOM 921 CA LEU A 62 -4.594 8.024 0.607 1.00 0.00 C ATOM 922 C LEU A 62 -3.849 8.077 -0.699 1.00 0.00 C ATOM 923 O LEU A 62 -2.902 8.842 -0.876 1.00 0.00 O ATOM 924 CB LEU A 62 -4.272 6.675 1.238 1.00 0.00 C ATOM 925 CG LEU A 62 -3.065 6.668 2.170 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.895 7.389 1.528 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.420 7.305 3.506 1.00 0.00 C ATOM 0 H LEU A 62 -6.553 7.283 0.552 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.299 8.844 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.144 6.335 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.101 5.951 0.442 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.773 5.633 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.042 7.375 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.626 6.890 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.175 8.421 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.547 7.292 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.737 8.335 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.230 6.745 3.972 1.00 0.00 H new ATOM 939 N ALA A 63 -4.276 7.209 -1.601 1.00 0.00 N ATOM 940 CA ALA A 63 -3.648 7.094 -2.888 1.00 0.00 C ATOM 941 C ALA A 63 -3.583 8.449 -3.587 1.00 0.00 C ATOM 942 O ALA A 63 -2.503 8.937 -3.923 1.00 0.00 O ATOM 943 CB ALA A 63 -4.376 6.075 -3.752 1.00 0.00 C ATOM 0 H ALA A 63 -5.061 6.574 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.627 6.745 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.884 6.003 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.356 5.102 -3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.410 6.389 -3.892 1.00 0.00 H new ATOM 949 N ALA A 64 -4.752 9.057 -3.792 1.00 0.00 N ATOM 950 CA ALA A 64 -4.835 10.360 -4.440 1.00 0.00 C ATOM 951 C ALA A 64 -3.921 11.362 -3.742 1.00 0.00 C ATOM 952 O ALA A 64 -3.291 12.197 -4.387 1.00 0.00 O ATOM 953 CB ALA A 64 -6.272 10.861 -4.441 1.00 0.00 C ATOM 0 H ALA A 64 -5.653 8.665 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.505 10.254 -5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.317 11.835 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.903 10.155 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.626 10.952 -3.414 1.00 0.00 H new ATOM 959 N ARG A 65 -3.845 11.254 -2.420 1.00 0.00 N ATOM 960 CA ARG A 65 -2.993 12.131 -1.633 1.00 0.00 C ATOM 961 C ARG A 65 -1.535 11.897 -2.000 1.00 0.00 C ATOM 962 O ARG A 65 -0.747 12.835 -2.100 1.00 0.00 O ATOM 963 CB ARG A 65 -3.208 11.875 -0.142 1.00 0.00 C ATOM 964 CG ARG A 65 -2.953 13.091 0.732 1.00 0.00 C ATOM 965 CD ARG A 65 -3.395 12.841 2.164 1.00 0.00 C ATOM 966 NE ARG A 65 -4.157 13.963 2.707 1.00 0.00 N ATOM 967 CZ ARG A 65 -4.886 13.895 3.819 1.00 0.00 C ATOM 968 NH1 ARG A 65 -4.955 12.764 4.508 1.00 0.00 N ATOM 969 NH2 ARG A 65 -5.549 14.964 4.242 1.00 0.00 N ATOM 0 H ARG A 65 -4.364 10.567 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.253 13.167 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.232 11.535 0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.551 11.066 0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.892 13.339 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.488 13.951 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.003 11.937 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.519 12.662 2.788 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.129 14.850 2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.448 11.939 4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.515 12.719 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.500 15.836 3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.108 14.913 5.094 1.00 0.00 H new ATOM 983 N ALA A 66 -1.191 10.630 -2.219 1.00 0.00 N ATOM 984 CA ALA A 66 0.165 10.266 -2.597 1.00 0.00 C ATOM 985 C ALA A 66 0.493 10.873 -3.949 1.00 0.00 C ATOM 986 O ALA A 66 1.591 11.385 -4.160 1.00 0.00 O ATOM 987 CB ALA A 66 0.329 8.756 -2.620 1.00 0.00 C ATOM 0 H ALA A 66 -1.834 9.842 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 66 0.862 10.660 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.351 8.505 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.119 8.352 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.365 8.326 -3.342 1.00 0.00 H new ATOM 993 N LYS A 67 -0.479 10.839 -4.853 1.00 0.00 N ATOM 994 CA LYS A 67 -0.300 11.412 -6.178 1.00 0.00 C ATOM 995 C LYS A 67 -0.042 12.906 -6.056 1.00 0.00 C ATOM 996 O LYS A 67 0.880 13.444 -6.672 1.00 0.00 O ATOM 997 CB LYS A 67 -1.529 11.150 -7.050 1.00 0.00 C ATOM 998 CG LYS A 67 -1.405 9.909 -7.917 1.00 0.00 C ATOM 999 CD LYS A 67 -2.581 8.965 -7.717 1.00 0.00 C ATOM 1000 CE LYS A 67 -2.419 7.692 -8.530 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.142 7.979 -9.964 1.00 0.00 N ATOM 0 H LYS A 67 -1.396 10.422 -4.692 1.00 0.00 H new ATOM 0 HA LYS A 67 0.558 10.939 -6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.405 11.049 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.701 12.015 -7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.347 10.201 -8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.477 9.390 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.671 8.714 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.505 9.467 -8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.605 7.098 -8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.325 7.092 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.256 7.108 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.808 8.700 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.168 8.330 -10.066 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.850 13.563 -5.232 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.700 14.991 -4.994 1.00 0.00 C ATOM 1017 C ASN A 68 0.568 15.252 -4.186 1.00 0.00 C ATOM 1018 O ASN A 68 1.155 16.331 -4.252 1.00 0.00 O ATOM 1019 CB ASN A 68 -1.919 15.530 -4.243 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.092 17.026 -4.415 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -1.418 17.820 -3.758 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -2.998 17.420 -5.302 1.00 0.00 N ATOM 0 H ASN A 68 -1.616 13.128 -4.718 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.623 15.503 -5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.815 15.021 -4.598 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.820 15.299 -3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.157 18.415 -5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.535 16.728 -5.825 1.00 0.00 H new ATOM 1029 N ALA A 69 0.979 14.239 -3.425 1.00 0.00 N ATOM 1030 CA ALA A 69 2.174 14.323 -2.596 1.00 0.00 C ATOM 1031 C ALA A 69 3.442 14.170 -3.431 1.00 0.00 C ATOM 1032 O ALA A 69 4.518 14.608 -3.026 1.00 0.00 O ATOM 1033 CB ALA A 69 2.130 13.248 -1.522 1.00 0.00 C ATOM 0 H ALA A 69 0.494 13.343 -3.368 1.00 0.00 H new ATOM 0 HA ALA A 69 2.195 15.308 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.026 13.314 -0.904 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.248 13.392 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.085 12.266 -1.992 1.00 0.00 H new ATOM 1039 N GLY A 70 3.308 13.540 -4.593 1.00 0.00 N ATOM 1040 CA GLY A 70 4.449 13.326 -5.459 1.00 0.00 C ATOM 1041 C GLY A 70 4.806 11.860 -5.555 1.00 0.00 C ATOM 1042 O GLY A 70 5.948 11.502 -5.848 1.00 0.00 O ATOM 0 H GLY A 70 2.426 13.173 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.230 13.714 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.304 13.886 -5.080 1.00 0.00 H new ATOM 1046 N PHE A 71 3.821 11.005 -5.291 1.00 0.00 N ATOM 1047 CA PHE A 71 4.013 9.567 -5.326 1.00 0.00 C ATOM 1048 C PHE A 71 2.904 8.918 -6.147 1.00 0.00 C ATOM 1049 O PHE A 71 1.777 9.405 -6.167 1.00 0.00 O ATOM 1050 CB PHE A 71 3.989 9.008 -3.903 1.00 0.00 C ATOM 1051 CG PHE A 71 4.506 9.968 -2.868 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.747 10.569 -3.019 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.748 10.278 -1.747 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.221 11.458 -2.073 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.217 11.167 -0.800 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.457 11.757 -0.962 1.00 0.00 C ATOM 0 H PHE A 71 2.873 11.293 -5.048 1.00 0.00 H new ATOM 0 HA PHE A 71 4.977 9.347 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.966 8.729 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.585 8.096 -3.870 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.350 10.340 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.780 9.818 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.189 11.919 -2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.616 11.401 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.827 12.450 -0.221 1.00 0.00 H new ATOM 1066 N ASP A 72 3.217 7.817 -6.814 1.00 0.00 N ATOM 1067 CA ASP A 72 2.222 7.121 -7.619 1.00 0.00 C ATOM 1068 C ASP A 72 1.529 6.036 -6.803 1.00 0.00 C ATOM 1069 O ASP A 72 1.786 4.849 -6.996 1.00 0.00 O ATOM 1070 CB ASP A 72 2.878 6.507 -8.859 1.00 0.00 C ATOM 1071 CG ASP A 72 1.859 6.055 -9.888 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.815 5.501 -9.487 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.108 6.257 -11.096 1.00 0.00 O ATOM 0 H ASP A 72 4.143 7.389 -6.815 1.00 0.00 H new ATOM 0 HA ASP A 72 1.472 7.846 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.548 7.238 -9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.490 5.656 -8.559 1.00 0.00 H new ATOM 1078 N ALA A 73 0.649 6.445 -5.888 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.070 5.493 -5.049 1.00 0.00 C ATOM 1080 C ALA A 73 -1.321 4.961 -5.740 1.00 0.00 C ATOM 1081 O ALA A 73 -2.022 5.694 -6.438 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.448 6.135 -3.724 1.00 0.00 C ATOM 0 H ALA A 73 0.420 7.423 -5.712 1.00 0.00 H new ATOM 0 HA ALA A 73 0.598 4.651 -4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.984 5.412 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.455 6.455 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.087 6.999 -3.907 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.597 3.683 -5.518 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.767 3.033 -6.091 1.00 0.00 C ATOM 1090 C ILE A 74 -3.471 2.198 -5.030 1.00 0.00 C ATOM 1091 O ILE A 74 -2.840 1.735 -4.084 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.389 2.128 -7.281 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.362 1.082 -6.847 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.847 2.967 -8.430 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.319 -0.130 -7.753 1.00 0.00 C ATOM 0 H ILE A 74 -1.021 3.072 -4.940 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.433 3.816 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.284 1.609 -7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.374 1.542 -6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.590 0.759 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.584 2.316 -9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.608 3.679 -8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.961 3.508 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.569 -0.831 -7.387 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.296 -0.614 -7.760 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.061 0.181 -8.765 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.772 2.001 -5.186 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.533 1.214 -4.222 1.00 0.00 C ATOM 1109 C VAL A 75 -5.839 -0.173 -4.768 1.00 0.00 C ATOM 1110 O VAL A 75 -6.235 -0.327 -5.924 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.849 1.916 -3.829 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.683 1.031 -2.908 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.551 3.252 -3.163 1.00 0.00 C ATOM 0 H VAL A 75 -5.320 2.371 -5.963 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.913 1.117 -3.331 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.427 2.098 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.606 1.548 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.922 0.098 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.117 0.814 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.487 3.739 -2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.953 3.086 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.999 3.888 -3.855 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.650 -1.184 -3.928 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.903 -2.560 -4.324 1.00 0.00 C ATOM 1125 C ILE A 76 -6.676 -3.312 -3.245 1.00 0.00 C ATOM 1126 O ILE A 76 -6.368 -3.208 -2.053 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.587 -3.309 -4.616 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -4.876 -4.734 -5.092 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.698 -3.324 -3.381 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.629 -5.538 -5.392 1.00 0.00 C ATOM 0 H ILE A 76 -5.322 -1.074 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.502 -2.523 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.059 -2.784 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.457 -5.252 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.494 -4.690 -5.989 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.774 -3.856 -3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.465 -2.300 -3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.218 -3.826 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.911 -6.537 -5.724 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.057 -5.043 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.019 -5.614 -4.492 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.681 -4.069 -3.676 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.507 -4.847 -2.766 1.00 0.00 C ATOM 1144 C LEU A 77 -8.051 -6.305 -2.762 1.00 0.00 C ATOM 1145 O LEU A 77 -8.323 -7.053 -3.702 1.00 0.00 O ATOM 1146 CB LEU A 77 -9.979 -4.745 -3.179 1.00 0.00 C ATOM 1147 CG LEU A 77 -10.900 -5.828 -2.612 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -11.019 -5.692 -1.103 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.271 -5.756 -3.267 1.00 0.00 C ATOM 0 H LEU A 77 -7.942 -4.158 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.400 -4.448 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.358 -3.771 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.036 -4.778 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.464 -6.802 -2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.678 -6.471 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.033 -5.794 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.432 -4.714 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.914 -6.533 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.714 -4.779 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.169 -5.905 -4.342 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.350 -6.703 -1.703 1.00 0.00 N ATOM 1162 CA GLU A 78 -6.855 -8.070 -1.585 1.00 0.00 C ATOM 1163 C GLU A 78 -7.753 -8.905 -0.681 1.00 0.00 C ATOM 1164 O GLU A 78 -8.112 -8.483 0.418 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.426 -8.068 -1.042 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.454 -7.255 -1.882 1.00 0.00 C ATOM 1167 CD GLU A 78 -3.056 -7.841 -1.889 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -2.923 -9.055 -2.152 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -2.095 -7.087 -1.633 1.00 0.00 O ATOM 0 H GLU A 78 -7.113 -6.099 -0.916 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.862 -8.517 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.433 -7.673 -0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.068 -9.096 -0.981 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.825 -7.197 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.414 -6.235 -1.499 1.00 0.00 H new ATOM 1176 N SER A 79 -8.112 -10.097 -1.151 1.00 0.00 N ATOM 1177 CA SER A 79 -8.967 -10.995 -0.386 1.00 0.00 C ATOM 1178 C SER A 79 -8.295 -12.350 -0.192 1.00 0.00 C ATOM 1179 O SER A 79 -8.163 -12.783 0.973 1.00 0.00 O ATOM 1180 CB SER A 79 -10.311 -11.179 -1.092 1.00 0.00 C ATOM 1181 OG SER A 79 -10.136 -11.343 -2.488 1.00 0.00 O ATOM 1182 OXT SER A 79 -7.904 -12.969 -1.203 1.00 0.00 O ATOM 0 H SER A 79 -7.823 -10.462 -2.059 1.00 0.00 H new ATOM 0 HA SER A 79 -9.136 -10.548 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.824 -12.049 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.947 -10.314 -0.901 1.00 0.00 H new ATOM 0 HG SER A 79 -9.371 -11.933 -2.655 1.00 0.00 H new TER 1188 SER A 79