USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 787 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 46 TYR OH : rot 180:sc= 0.934 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.894 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.087 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 41:sc= 1.22 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= -0.276 (180deg=-1.1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= -0.0155 (180deg=-0.179) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -119:sc= -1.37! (180deg=-5.31!) USER MOD Single : A 49 MET CE :methyl -151:sc= -0.0586 (180deg=-1.46!) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= -1.72 (180deg=-3.23!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -138:sc= -1.51 (180deg=-3.5) USER MOD Single : A 77 SER OG : rot 87:sc= 0.185 USER MOD Single : A 78 SER OG : rot 113:sc= 0.693 USER MOD Single : A 79 GLN : amide:sc= -0.122 K(o=-0.12,f=-2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 72:sc= 0.203 USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= 0.214 (180deg=0.123) USER MOD Single : A 98 ASN : amide:sc=-0.00831 X(o=-0.0083,f=-0.26) USER MOD Single : A 101 HIS : no HD1:sc= -1.39! C(o=-1.4!,f=-0.98!) USER MOD Single : A 103 SER OG : rot 6:sc= 0.603! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.847 -60.871 37.297 1.00 0.00 N ATOM 2 CA GLY A 1 21.504 -59.817 36.546 1.00 0.00 C ATOM 3 C GLY A 1 20.954 -58.443 36.873 1.00 0.00 C ATOM 4 O GLY A 1 20.241 -58.271 37.861 1.00 0.00 O ATOM 0 H1 GLY A 1 21.564 -61.479 37.742 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.245 -60.449 38.033 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.261 -61.441 36.655 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.573 -59.837 36.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.386 -60.008 35.479 1.00 0.00 H new ATOM 8 N SER A 2 21.287 -57.461 36.041 1.00 0.00 N ATOM 9 CA SER A 2 20.825 -56.094 36.249 1.00 0.00 C ATOM 10 C SER A 2 19.948 -55.634 35.088 1.00 0.00 C ATOM 11 O SER A 2 19.824 -56.325 34.077 1.00 0.00 O ATOM 12 CB SER A 2 22.018 -55.149 36.407 1.00 0.00 C ATOM 13 OG SER A 2 22.853 -55.557 37.478 1.00 0.00 O ATOM 0 H SER A 2 21.875 -57.587 35.217 1.00 0.00 H new ATOM 0 HA SER A 2 20.230 -56.073 37.162 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.593 -55.126 35.481 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.661 -54.135 36.586 1.00 0.00 H new ATOM 0 HG SER A 2 23.609 -54.938 37.557 1.00 0.00 H new ATOM 19 N SER A 3 19.342 -54.461 35.242 1.00 0.00 N ATOM 20 CA SER A 3 18.473 -53.909 34.209 1.00 0.00 C ATOM 21 C SER A 3 19.081 -52.646 33.606 1.00 0.00 C ATOM 22 O SER A 3 19.296 -52.564 32.397 1.00 0.00 O ATOM 23 CB SER A 3 17.092 -53.597 34.788 1.00 0.00 C ATOM 24 OG SER A 3 16.230 -53.068 33.795 1.00 0.00 O ATOM 0 H SER A 3 19.437 -53.875 36.071 1.00 0.00 H new ATOM 0 HA SER A 3 18.369 -54.654 33.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.656 -54.504 35.206 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.190 -52.884 35.606 1.00 0.00 H new ATOM 0 HG SER A 3 15.353 -52.879 34.190 1.00 0.00 H new ATOM 30 N GLY A 4 19.356 -51.663 34.458 1.00 0.00 N ATOM 31 CA GLY A 4 19.937 -50.418 33.992 1.00 0.00 C ATOM 32 C GLY A 4 18.969 -49.605 33.154 1.00 0.00 C ATOM 33 O GLY A 4 17.896 -50.086 32.791 1.00 0.00 O ATOM 0 H GLY A 4 19.187 -51.707 35.463 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.256 -49.826 34.850 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.829 -50.634 33.404 1.00 0.00 H new ATOM 37 N SER A 5 19.348 -48.369 32.848 1.00 0.00 N ATOM 38 CA SER A 5 18.504 -47.485 32.052 1.00 0.00 C ATOM 39 C SER A 5 19.281 -46.251 31.602 1.00 0.00 C ATOM 40 O SER A 5 20.381 -45.987 32.085 1.00 0.00 O ATOM 41 CB SER A 5 17.273 -47.062 32.856 1.00 0.00 C ATOM 42 OG SER A 5 16.209 -47.981 32.681 1.00 0.00 O ATOM 0 H SER A 5 20.234 -47.956 33.139 1.00 0.00 H new ATOM 0 HA SER A 5 18.181 -48.032 31.166 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.530 -46.996 33.913 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.954 -46.068 32.543 1.00 0.00 H new ATOM 0 HG SER A 5 16.563 -48.895 32.680 1.00 0.00 H new ATOM 48 N SER A 6 18.699 -45.500 30.673 1.00 0.00 N ATOM 49 CA SER A 6 19.336 -44.296 30.153 1.00 0.00 C ATOM 50 C SER A 6 18.384 -43.525 29.244 1.00 0.00 C ATOM 51 O SER A 6 17.510 -44.109 28.605 1.00 0.00 O ATOM 52 CB SER A 6 20.610 -44.658 29.387 1.00 0.00 C ATOM 53 OG SER A 6 21.491 -43.551 29.309 1.00 0.00 O ATOM 0 H SER A 6 17.787 -45.704 30.265 1.00 0.00 H new ATOM 0 HA SER A 6 19.597 -43.660 30.999 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.111 -45.491 29.881 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.351 -44.992 28.382 1.00 0.00 H new ATOM 0 HG SER A 6 22.298 -43.809 28.816 1.00 0.00 H new ATOM 59 N GLY A 7 18.560 -42.208 29.193 1.00 0.00 N ATOM 60 CA GLY A 7 17.709 -41.378 28.361 1.00 0.00 C ATOM 61 C GLY A 7 18.307 -41.125 26.991 1.00 0.00 C ATOM 62 O GLY A 7 19.415 -41.576 26.697 1.00 0.00 O ATOM 0 H GLY A 7 19.277 -41.701 29.713 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.737 -41.859 28.247 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.536 -40.425 28.860 1.00 0.00 H new ATOM 66 N ASP A 8 17.574 -40.404 26.151 1.00 0.00 N ATOM 67 CA ASP A 8 18.038 -40.092 24.804 1.00 0.00 C ATOM 68 C ASP A 8 17.364 -38.830 24.276 1.00 0.00 C ATOM 69 O ASP A 8 16.179 -38.598 24.516 1.00 0.00 O ATOM 70 CB ASP A 8 17.761 -41.265 23.862 1.00 0.00 C ATOM 71 CG ASP A 8 18.581 -41.191 22.589 1.00 0.00 C ATOM 72 OD1 ASP A 8 19.808 -40.978 22.685 1.00 0.00 O ATOM 73 OD2 ASP A 8 17.996 -41.344 21.496 1.00 0.00 O ATOM 0 H ASP A 8 16.655 -40.024 26.379 1.00 0.00 H new ATOM 0 HA ASP A 8 19.113 -39.917 24.848 1.00 0.00 H new ATOM 0 HB2 ASP A 8 17.979 -42.200 24.377 1.00 0.00 H new ATOM 0 HB3 ASP A 8 16.701 -41.281 23.608 1.00 0.00 H new ATOM 78 N LYS A 9 18.128 -38.015 23.556 1.00 0.00 N ATOM 79 CA LYS A 9 17.607 -36.775 22.992 1.00 0.00 C ATOM 80 C LYS A 9 17.586 -36.836 21.468 1.00 0.00 C ATOM 81 O LYS A 9 18.560 -37.255 20.842 1.00 0.00 O ATOM 82 CB LYS A 9 18.451 -35.586 23.455 1.00 0.00 C ATOM 83 CG LYS A 9 18.383 -35.336 24.951 1.00 0.00 C ATOM 84 CD LYS A 9 17.287 -34.343 25.301 1.00 0.00 C ATOM 85 CE LYS A 9 15.975 -35.047 25.610 1.00 0.00 C ATOM 86 NZ LYS A 9 16.116 -36.016 26.733 1.00 0.00 N ATOM 0 H LYS A 9 19.111 -38.191 23.349 1.00 0.00 H new ATOM 0 HA LYS A 9 16.584 -36.646 23.346 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.489 -35.756 23.171 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.119 -34.690 22.930 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.202 -36.277 25.470 1.00 0.00 H new ATOM 0 HG3 LYS A 9 19.343 -34.958 25.302 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.594 -33.749 26.162 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.143 -33.651 24.471 1.00 0.00 H new ATOM 0 HE2 LYS A 9 15.216 -34.306 25.863 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.626 -35.571 24.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.208 -36.103 27.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.394 -36.945 26.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.844 -35.678 27.394 1.00 0.00 H new ATOM 100 N ILE A 10 16.473 -36.415 20.879 1.00 0.00 N ATOM 101 CA ILE A 10 16.328 -36.420 19.428 1.00 0.00 C ATOM 102 C ILE A 10 15.746 -35.102 18.930 1.00 0.00 C ATOM 103 O ILE A 10 14.770 -34.595 19.482 1.00 0.00 O ATOM 104 CB ILE A 10 15.428 -37.577 18.956 1.00 0.00 C ATOM 105 CG1 ILE A 10 15.363 -37.610 17.428 1.00 0.00 C ATOM 106 CG2 ILE A 10 14.034 -37.440 19.549 1.00 0.00 C ATOM 107 CD1 ILE A 10 16.508 -38.364 16.789 1.00 0.00 C ATOM 0 H ILE A 10 15.658 -36.066 21.383 1.00 0.00 H new ATOM 0 HA ILE A 10 17.326 -36.554 19.011 1.00 0.00 H new ATOM 0 HB ILE A 10 15.857 -38.517 19.303 1.00 0.00 H new ATOM 0 HG12 ILE A 10 14.422 -38.068 17.123 1.00 0.00 H new ATOM 0 HG13 ILE A 10 15.357 -36.587 17.051 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.410 -38.265 19.206 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.098 -37.461 20.637 1.00 0.00 H new ATOM 0 HG23 ILE A 10 13.594 -36.495 19.230 1.00 0.00 H new ATOM 0 HD11 ILE A 10 16.396 -38.346 15.705 1.00 0.00 H new ATOM 0 HD12 ILE A 10 17.452 -37.894 17.064 1.00 0.00 H new ATOM 0 HD13 ILE A 10 16.503 -39.397 17.137 1.00 0.00 H new ATOM 119 N GLU A 11 16.350 -34.553 17.880 1.00 0.00 N ATOM 120 CA GLU A 11 15.890 -33.294 17.306 1.00 0.00 C ATOM 121 C GLU A 11 16.084 -33.283 15.793 1.00 0.00 C ATOM 122 O GLU A 11 16.944 -33.985 15.261 1.00 0.00 O ATOM 123 CB GLU A 11 16.639 -32.117 17.936 1.00 0.00 C ATOM 124 CG GLU A 11 16.269 -31.868 19.389 1.00 0.00 C ATOM 125 CD GLU A 11 14.897 -31.241 19.542 1.00 0.00 C ATOM 126 OE1 GLU A 11 13.899 -31.910 19.204 1.00 0.00 O ATOM 127 OE2 GLU A 11 14.822 -30.082 20.001 1.00 0.00 O ATOM 0 H GLU A 11 17.158 -34.960 17.410 1.00 0.00 H new ATOM 0 HA GLU A 11 14.826 -33.194 17.519 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.711 -32.302 17.869 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.434 -31.216 17.358 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.296 -32.812 19.934 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.015 -31.216 19.844 1.00 0.00 H new ATOM 134 N SER A 12 15.278 -32.481 15.105 1.00 0.00 N ATOM 135 CA SER A 12 15.356 -32.381 13.652 1.00 0.00 C ATOM 136 C SER A 12 14.463 -31.257 13.136 1.00 0.00 C ATOM 137 O SER A 12 13.252 -31.257 13.362 1.00 0.00 O ATOM 138 CB SER A 12 14.952 -33.707 13.006 1.00 0.00 C ATOM 139 OG SER A 12 15.198 -33.691 11.610 1.00 0.00 O ATOM 0 H SER A 12 14.563 -31.891 15.530 1.00 0.00 H new ATOM 0 HA SER A 12 16.388 -32.154 13.383 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.508 -34.524 13.467 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.895 -33.897 13.190 1.00 0.00 H new ATOM 0 HG SER A 12 14.933 -34.551 11.221 1.00 0.00 H new ATOM 145 N LYS A 13 15.068 -30.301 12.440 1.00 0.00 N ATOM 146 CA LYS A 13 14.330 -29.171 11.889 1.00 0.00 C ATOM 147 C LYS A 13 14.238 -29.269 10.370 1.00 0.00 C ATOM 148 O LYS A 13 15.253 -29.397 9.683 1.00 0.00 O ATOM 149 CB LYS A 13 15.001 -27.854 12.286 1.00 0.00 C ATOM 150 CG LYS A 13 14.992 -27.593 13.782 1.00 0.00 C ATOM 151 CD LYS A 13 13.718 -26.888 14.218 1.00 0.00 C ATOM 152 CE LYS A 13 13.703 -26.641 15.718 1.00 0.00 C ATOM 153 NZ LYS A 13 14.795 -25.721 16.140 1.00 0.00 N ATOM 0 H LYS A 13 16.069 -30.286 12.244 1.00 0.00 H new ATOM 0 HA LYS A 13 13.320 -29.195 12.299 1.00 0.00 H new ATOM 0 HB2 LYS A 13 16.032 -27.861 11.933 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.496 -27.032 11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.088 -28.538 14.318 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.856 -26.985 14.051 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.628 -25.938 13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.854 -27.491 13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.741 -26.219 16.007 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.805 -27.591 16.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.642 -25.430 17.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.710 -26.209 16.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.797 -24.880 15.528 1.00 0.00 H new ATOM 167 N LEU A 14 13.017 -29.208 9.850 1.00 0.00 N ATOM 168 CA LEU A 14 12.793 -29.289 8.411 1.00 0.00 C ATOM 169 C LEU A 14 12.060 -28.052 7.903 1.00 0.00 C ATOM 170 O LEU A 14 11.478 -28.063 6.817 1.00 0.00 O ATOM 171 CB LEU A 14 11.993 -30.547 8.069 1.00 0.00 C ATOM 172 CG LEU A 14 10.884 -30.924 9.052 1.00 0.00 C ATOM 173 CD1 LEU A 14 9.822 -29.837 9.101 1.00 0.00 C ATOM 174 CD2 LEU A 14 10.264 -32.260 8.669 1.00 0.00 C ATOM 0 H LEU A 14 12.167 -29.103 10.404 1.00 0.00 H new ATOM 0 HA LEU A 14 13.765 -29.340 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.548 -30.413 7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.686 -31.385 7.995 1.00 0.00 H new ATOM 0 HG LEU A 14 11.322 -31.020 10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.041 -30.123 9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.276 -28.899 9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.387 -29.708 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.477 -32.513 9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.840 -32.191 7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.030 -33.035 8.686 1.00 0.00 H new ATOM 186 N LEU A 15 12.092 -26.985 8.695 1.00 0.00 N ATOM 187 CA LEU A 15 11.432 -25.738 8.325 1.00 0.00 C ATOM 188 C LEU A 15 12.121 -25.091 7.128 1.00 0.00 C ATOM 189 O LEU A 15 12.996 -24.241 7.287 1.00 0.00 O ATOM 190 CB LEU A 15 11.427 -24.770 9.509 1.00 0.00 C ATOM 191 CG LEU A 15 10.385 -25.042 10.594 1.00 0.00 C ATOM 192 CD1 LEU A 15 10.875 -24.541 11.944 1.00 0.00 C ATOM 193 CD2 LEU A 15 9.057 -24.393 10.233 1.00 0.00 C ATOM 0 H LEU A 15 12.568 -26.959 9.597 1.00 0.00 H new ATOM 0 HA LEU A 15 10.403 -25.969 8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.415 -24.786 9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.270 -23.761 9.127 1.00 0.00 H new ATOM 0 HG LEU A 15 10.234 -26.119 10.663 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.120 -24.744 12.703 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.801 -25.052 12.208 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.056 -23.468 11.890 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.327 -24.597 11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.193 -23.316 10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.698 -24.800 9.288 1.00 0.00 H new ATOM 205 N ALA A 16 11.719 -25.499 5.929 1.00 0.00 N ATOM 206 CA ALA A 16 12.294 -24.956 4.704 1.00 0.00 C ATOM 207 C ALA A 16 11.441 -25.312 3.492 1.00 0.00 C ATOM 208 O ALA A 16 11.169 -26.485 3.233 1.00 0.00 O ATOM 209 CB ALA A 16 13.716 -25.464 4.519 1.00 0.00 C ATOM 0 H ALA A 16 10.997 -26.204 5.780 1.00 0.00 H new ATOM 0 HA ALA A 16 12.316 -23.870 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.133 -25.051 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.327 -25.153 5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.708 -26.552 4.457 1.00 0.00 H new ATOM 215 N LYS A 17 11.020 -24.293 2.750 1.00 0.00 N ATOM 216 CA LYS A 17 10.198 -24.497 1.564 1.00 0.00 C ATOM 217 C LYS A 17 10.639 -23.577 0.431 1.00 0.00 C ATOM 218 O LYS A 17 11.302 -22.565 0.661 1.00 0.00 O ATOM 219 CB LYS A 17 8.723 -24.250 1.891 1.00 0.00 C ATOM 220 CG LYS A 17 8.115 -25.308 2.796 1.00 0.00 C ATOM 221 CD LYS A 17 6.818 -24.826 3.423 1.00 0.00 C ATOM 222 CE LYS A 17 5.881 -25.985 3.725 1.00 0.00 C ATOM 223 NZ LYS A 17 5.047 -26.346 2.546 1.00 0.00 N ATOM 0 H LYS A 17 11.235 -23.316 2.950 1.00 0.00 H new ATOM 0 HA LYS A 17 10.324 -25.530 1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.624 -23.275 2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.155 -24.209 0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.928 -26.215 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.825 -25.569 3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.037 -24.284 4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.326 -24.125 2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.464 -26.852 4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.233 -25.720 4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.422 -27.140 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.471 -25.527 2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.664 -26.624 1.756 1.00 0.00 H new ATOM 237 N LYS A 18 10.267 -23.933 -0.794 1.00 0.00 N ATOM 238 CA LYS A 18 10.621 -23.138 -1.964 1.00 0.00 C ATOM 239 C LYS A 18 9.378 -22.536 -2.610 1.00 0.00 C ATOM 240 O LYS A 18 8.857 -23.069 -3.590 1.00 0.00 O ATOM 241 CB LYS A 18 11.373 -23.999 -2.982 1.00 0.00 C ATOM 242 CG LYS A 18 12.852 -24.156 -2.672 1.00 0.00 C ATOM 243 CD LYS A 18 13.671 -24.338 -3.939 1.00 0.00 C ATOM 244 CE LYS A 18 13.757 -25.802 -4.341 1.00 0.00 C ATOM 245 NZ LYS A 18 14.417 -25.976 -5.665 1.00 0.00 N ATOM 0 H LYS A 18 9.720 -24.768 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 18 11.268 -22.324 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.912 -24.986 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.263 -23.556 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.207 -23.278 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.998 -25.015 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.223 -23.763 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.675 -23.942 -3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.312 -26.355 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.755 -26.228 -4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.456 -26.988 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.874 -25.470 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.383 -25.592 -5.625 1.00 0.00 H new ATOM 259 N ALA A 19 8.908 -21.424 -2.056 1.00 0.00 N ATOM 260 CA ALA A 19 7.728 -20.748 -2.581 1.00 0.00 C ATOM 261 C ALA A 19 7.824 -19.240 -2.380 1.00 0.00 C ATOM 262 O ALA A 19 8.265 -18.771 -1.332 1.00 0.00 O ATOM 263 CB ALA A 19 6.470 -21.292 -1.920 1.00 0.00 C ATOM 0 H ALA A 19 9.326 -20.972 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 19 7.675 -20.942 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.597 -20.778 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.387 -22.360 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.524 -21.128 -0.844 1.00 0.00 H new ATOM 269 N GLU A 20 7.408 -18.485 -3.392 1.00 0.00 N ATOM 270 CA GLU A 20 7.449 -17.029 -3.326 1.00 0.00 C ATOM 271 C GLU A 20 6.394 -16.412 -4.240 1.00 0.00 C ATOM 272 O GLU A 20 6.050 -16.977 -5.279 1.00 0.00 O ATOM 273 CB GLU A 20 8.838 -16.517 -3.713 1.00 0.00 C ATOM 274 CG GLU A 20 8.950 -15.002 -3.715 1.00 0.00 C ATOM 275 CD GLU A 20 10.300 -14.517 -4.208 1.00 0.00 C ATOM 276 OE1 GLU A 20 10.699 -14.910 -5.325 1.00 0.00 O ATOM 277 OE2 GLU A 20 10.957 -13.747 -3.478 1.00 0.00 O ATOM 0 H GLU A 20 7.039 -18.857 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 20 7.233 -16.732 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.573 -16.926 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.091 -16.893 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.166 -14.584 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.780 -14.628 -2.706 1.00 0.00 H new ATOM 284 N VAL A 21 5.884 -15.249 -3.846 1.00 0.00 N ATOM 285 CA VAL A 21 4.870 -14.555 -4.630 1.00 0.00 C ATOM 286 C VAL A 21 5.505 -13.558 -5.592 1.00 0.00 C ATOM 287 O VAL A 21 6.598 -13.050 -5.344 1.00 0.00 O ATOM 288 CB VAL A 21 3.872 -13.811 -3.722 1.00 0.00 C ATOM 289 CG1 VAL A 21 4.538 -12.609 -3.068 1.00 0.00 C ATOM 290 CG2 VAL A 21 2.646 -13.385 -4.515 1.00 0.00 C ATOM 0 H VAL A 21 6.157 -14.768 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 21 4.336 -15.315 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 21 3.549 -14.491 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.818 -12.096 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.382 -12.944 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.892 -11.925 -3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.952 -12.861 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.949 -12.722 -5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.157 -14.266 -4.931 1.00 0.00 H new ATOM 300 N ASN A 22 4.813 -13.282 -6.692 1.00 0.00 N ATOM 301 CA ASN A 22 5.310 -12.346 -7.694 1.00 0.00 C ATOM 302 C ASN A 22 4.565 -11.017 -7.612 1.00 0.00 C ATOM 303 O ASN A 22 4.373 -10.336 -8.621 1.00 0.00 O ATOM 304 CB ASN A 22 5.163 -12.940 -9.096 1.00 0.00 C ATOM 305 CG ASN A 22 6.150 -14.062 -9.354 1.00 0.00 C ATOM 306 OD1 ASN A 22 6.040 -15.145 -8.779 1.00 0.00 O ATOM 307 ND2 ASN A 22 7.121 -13.807 -10.223 1.00 0.00 N ATOM 0 H ASN A 22 3.906 -13.693 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 22 6.366 -12.164 -7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.148 -13.316 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.308 -12.154 -9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.815 -14.523 -10.437 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.173 -12.895 -10.676 1.00 0.00 H new ATOM 314 N THR A 23 4.147 -10.652 -6.404 1.00 0.00 N ATOM 315 CA THR A 23 3.423 -9.405 -6.190 1.00 0.00 C ATOM 316 C THR A 23 4.357 -8.303 -5.705 1.00 0.00 C ATOM 317 O THR A 23 5.566 -8.506 -5.594 1.00 0.00 O ATOM 318 CB THR A 23 2.285 -9.585 -5.168 1.00 0.00 C ATOM 319 OG1 THR A 23 2.810 -10.089 -3.935 1.00 0.00 O ATOM 320 CG2 THR A 23 1.224 -10.536 -5.700 1.00 0.00 C ATOM 0 H THR A 23 4.298 -11.203 -5.559 1.00 0.00 H new ATOM 0 HA THR A 23 2.996 -9.118 -7.151 1.00 0.00 H new ATOM 0 HB THR A 23 1.824 -8.612 -4.996 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.081 -10.199 -3.290 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.431 -10.647 -4.960 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.806 -10.135 -6.623 1.00 0.00 H new ATOM 0 HG23 THR A 23 1.674 -11.509 -5.898 1.00 0.00 H new ATOM 328 N ILE A 24 3.789 -7.136 -5.418 1.00 0.00 N ATOM 329 CA ILE A 24 4.573 -6.002 -4.943 1.00 0.00 C ATOM 330 C ILE A 24 4.972 -6.183 -3.483 1.00 0.00 C ATOM 331 O ILE A 24 4.141 -6.454 -2.615 1.00 0.00 O ATOM 332 CB ILE A 24 3.797 -4.680 -5.092 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.079 -4.634 -6.442 1.00 0.00 C ATOM 334 CG2 ILE A 24 4.738 -3.494 -4.946 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.354 -3.331 -6.697 1.00 0.00 C ATOM 0 H ILE A 24 2.790 -6.951 -5.506 1.00 0.00 H new ATOM 0 HA ILE A 24 5.471 -5.958 -5.559 1.00 0.00 H new ATOM 0 HB ILE A 24 3.049 -4.624 -4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.807 -4.797 -7.237 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.363 -5.454 -6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.175 -2.567 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.208 -3.521 -3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.507 -3.543 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.868 -3.370 -7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.602 -3.175 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.068 -2.508 -6.680 1.00 0.00 H new ATOM 347 N PRO A 25 6.274 -6.029 -3.202 1.00 0.00 N ATOM 348 CA PRO A 25 6.813 -6.168 -1.846 1.00 0.00 C ATOM 349 C PRO A 25 6.380 -5.028 -0.930 1.00 0.00 C ATOM 350 O PRO A 25 6.777 -4.969 0.233 1.00 0.00 O ATOM 351 CB PRO A 25 8.328 -6.134 -2.061 1.00 0.00 C ATOM 352 CG PRO A 25 8.514 -5.378 -3.331 1.00 0.00 C ATOM 353 CD PRO A 25 7.321 -5.706 -4.186 1.00 0.00 C ATOM 0 HA PRO A 25 6.458 -7.076 -1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.835 -5.643 -1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.740 -7.140 -2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.576 -4.306 -3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.441 -5.668 -3.826 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.034 -4.864 -4.816 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.522 -6.547 -4.850 1.00 0.00 H new ATOM 361 N GLY A 26 5.562 -4.125 -1.462 1.00 0.00 N ATOM 362 CA GLY A 26 5.088 -3.000 -0.678 1.00 0.00 C ATOM 363 C GLY A 26 4.520 -1.890 -1.541 1.00 0.00 C ATOM 364 O GLY A 26 5.183 -1.408 -2.460 1.00 0.00 O ATOM 0 H GLY A 26 5.219 -4.153 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.322 -3.343 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.909 -2.606 -0.079 1.00 0.00 H new ATOM 368 N PHE A 27 3.290 -1.485 -1.246 1.00 0.00 N ATOM 369 CA PHE A 27 2.631 -0.427 -2.003 1.00 0.00 C ATOM 370 C PHE A 27 2.968 0.945 -1.426 1.00 0.00 C ATOM 371 O PHE A 27 2.501 1.308 -0.346 1.00 0.00 O ATOM 372 CB PHE A 27 1.116 -0.636 -2.001 1.00 0.00 C ATOM 373 CG PHE A 27 0.380 0.299 -2.918 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.470 0.156 -4.293 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.402 1.321 -2.404 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.205 1.016 -5.139 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.080 2.184 -3.245 1.00 0.00 C ATOM 378 CZ PHE A 27 -0.982 2.030 -4.614 1.00 0.00 C ATOM 0 H PHE A 27 2.729 -1.873 -0.488 1.00 0.00 H new ATOM 0 HA PHE A 27 2.994 -0.469 -3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.899 -1.664 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.741 -0.506 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.075 -0.637 -4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.483 1.445 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.125 0.895 -6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.685 2.977 -2.832 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.512 2.702 -5.273 1.00 0.00 H new ATOM 388 N ASP A 28 3.781 1.703 -2.153 1.00 0.00 N ATOM 389 CA ASP A 28 4.181 3.035 -1.715 1.00 0.00 C ATOM 390 C ASP A 28 3.286 4.103 -2.338 1.00 0.00 C ATOM 391 O ASP A 28 3.554 5.298 -2.218 1.00 0.00 O ATOM 392 CB ASP A 28 5.642 3.299 -2.082 1.00 0.00 C ATOM 393 CG ASP A 28 5.872 3.298 -3.580 1.00 0.00 C ATOM 394 OD1 ASP A 28 4.900 3.524 -4.330 1.00 0.00 O ATOM 395 OD2 ASP A 28 7.026 3.073 -4.002 1.00 0.00 O ATOM 0 H ASP A 28 4.176 1.418 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 28 4.073 3.082 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.949 4.261 -1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.273 2.539 -1.620 1.00 0.00 H new ATOM 400 N GLY A 29 2.223 3.663 -3.004 1.00 0.00 N ATOM 401 CA GLY A 29 1.307 4.593 -3.637 1.00 0.00 C ATOM 402 C GLY A 29 0.487 5.374 -2.630 1.00 0.00 C ATOM 403 O GLY A 29 0.945 5.643 -1.519 1.00 0.00 O ATOM 0 H GLY A 29 1.980 2.679 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.871 5.288 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.637 4.045 -4.299 1.00 0.00 H new ATOM 407 N VAL A 30 -0.731 5.741 -3.018 1.00 0.00 N ATOM 408 CA VAL A 30 -1.617 6.497 -2.141 1.00 0.00 C ATOM 409 C VAL A 30 -3.074 6.106 -2.362 1.00 0.00 C ATOM 410 O VAL A 30 -3.541 6.026 -3.498 1.00 0.00 O ATOM 411 CB VAL A 30 -1.465 8.014 -2.361 1.00 0.00 C ATOM 412 CG1 VAL A 30 -2.389 8.784 -1.430 1.00 0.00 C ATOM 413 CG2 VAL A 30 -0.018 8.439 -2.161 1.00 0.00 C ATOM 0 H VAL A 30 -1.126 5.527 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.330 6.256 -1.118 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.749 8.245 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.268 9.854 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.423 8.500 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.140 8.550 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.071 9.514 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.296 8.195 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.618 7.913 -2.873 1.00 0.00 H new ATOM 423 N VAL A 31 -3.788 5.862 -1.268 1.00 0.00 N ATOM 424 CA VAL A 31 -5.193 5.480 -1.341 1.00 0.00 C ATOM 425 C VAL A 31 -6.086 6.702 -1.530 1.00 0.00 C ATOM 426 O VAL A 31 -5.750 7.803 -1.094 1.00 0.00 O ATOM 427 CB VAL A 31 -5.637 4.725 -0.074 1.00 0.00 C ATOM 428 CG1 VAL A 31 -6.983 4.052 -0.298 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.583 3.707 0.335 1.00 0.00 C ATOM 0 H VAL A 31 -3.416 5.922 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.297 4.821 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.749 5.444 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.281 3.523 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.731 4.807 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.903 3.343 -1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.912 3.182 1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.438 2.989 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.643 4.219 0.539 1.00 0.00 H new ATOM 439 N LYS A 32 -7.225 6.500 -2.183 1.00 0.00 N ATOM 440 CA LYS A 32 -8.169 7.584 -2.428 1.00 0.00 C ATOM 441 C LYS A 32 -9.425 7.415 -1.579 1.00 0.00 C ATOM 442 O LYS A 32 -9.892 8.365 -0.950 1.00 0.00 O ATOM 443 CB LYS A 32 -8.546 7.633 -3.911 1.00 0.00 C ATOM 444 CG LYS A 32 -7.353 7.528 -4.846 1.00 0.00 C ATOM 445 CD LYS A 32 -6.793 8.898 -5.190 1.00 0.00 C ATOM 446 CE LYS A 32 -5.713 9.321 -4.207 1.00 0.00 C ATOM 447 NZ LYS A 32 -6.276 10.082 -3.057 1.00 0.00 N ATOM 0 H LYS A 32 -7.517 5.595 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.688 8.521 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.240 6.821 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.074 8.565 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.576 6.923 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.650 7.015 -5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.382 8.881 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.598 9.633 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.192 8.438 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.974 9.935 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.865 11.037 -3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.309 10.152 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.049 9.589 -2.170 1.00 0.00 H new ATOM 461 N ASP A 33 -9.965 6.202 -1.564 1.00 0.00 N ATOM 462 CA ASP A 33 -11.165 5.909 -0.790 1.00 0.00 C ATOM 463 C ASP A 33 -11.046 4.556 -0.094 1.00 0.00 C ATOM 464 O ASP A 33 -10.224 3.722 -0.473 1.00 0.00 O ATOM 465 CB ASP A 33 -12.398 5.923 -1.695 1.00 0.00 C ATOM 466 CG ASP A 33 -12.164 5.196 -3.004 1.00 0.00 C ATOM 467 OD1 ASP A 33 -11.556 4.105 -2.977 1.00 0.00 O ATOM 468 OD2 ASP A 33 -12.590 5.717 -4.056 1.00 0.00 O ATOM 0 H ASP A 33 -9.591 5.405 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.274 6.681 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.235 5.461 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.682 6.955 -1.902 1.00 0.00 H new ATOM 473 N ALA A 34 -11.870 4.347 0.927 1.00 0.00 N ATOM 474 CA ALA A 34 -11.858 3.097 1.676 1.00 0.00 C ATOM 475 C ALA A 34 -11.873 1.895 0.737 1.00 0.00 C ATOM 476 O ALA A 34 -11.067 0.976 0.878 1.00 0.00 O ATOM 477 CB ALA A 34 -13.043 3.040 2.628 1.00 0.00 C ATOM 0 H ALA A 34 -12.555 5.028 1.255 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.937 3.060 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.021 2.101 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.988 3.874 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.970 3.104 2.059 1.00 0.00 H new ATOM 483 N GLU A 35 -12.795 1.909 -0.220 1.00 0.00 N ATOM 484 CA GLU A 35 -12.915 0.819 -1.181 1.00 0.00 C ATOM 485 C GLU A 35 -11.582 0.555 -1.873 1.00 0.00 C ATOM 486 O GLU A 35 -11.175 -0.595 -2.041 1.00 0.00 O ATOM 487 CB GLU A 35 -13.988 1.143 -2.223 1.00 0.00 C ATOM 488 CG GLU A 35 -15.402 1.118 -1.668 1.00 0.00 C ATOM 489 CD GLU A 35 -16.453 1.004 -2.756 1.00 0.00 C ATOM 490 OE1 GLU A 35 -16.625 1.978 -3.518 1.00 0.00 O ATOM 491 OE2 GLU A 35 -17.104 -0.058 -2.844 1.00 0.00 O ATOM 0 H GLU A 35 -13.470 2.663 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.207 -0.080 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.789 2.129 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.915 0.427 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.504 0.279 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.578 2.026 -1.091 1.00 0.00 H new ATOM 498 N GLU A 36 -10.906 1.628 -2.273 1.00 0.00 N ATOM 499 CA GLU A 36 -9.619 1.511 -2.949 1.00 0.00 C ATOM 500 C GLU A 36 -8.579 0.875 -2.031 1.00 0.00 C ATOM 501 O GLU A 36 -7.763 0.064 -2.469 1.00 0.00 O ATOM 502 CB GLU A 36 -9.135 2.887 -3.411 1.00 0.00 C ATOM 503 CG GLU A 36 -7.696 2.893 -3.900 1.00 0.00 C ATOM 504 CD GLU A 36 -7.540 2.242 -5.261 1.00 0.00 C ATOM 505 OE1 GLU A 36 -7.976 1.082 -5.417 1.00 0.00 O ATOM 506 OE2 GLU A 36 -6.981 2.892 -6.169 1.00 0.00 O ATOM 0 H GLU A 36 -11.228 2.587 -2.141 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.751 0.869 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.784 3.241 -4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.233 3.593 -2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.337 3.921 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.068 2.371 -3.178 1.00 0.00 H new ATOM 513 N ALA A 37 -8.614 1.251 -0.757 1.00 0.00 N ATOM 514 CA ALA A 37 -7.676 0.717 0.223 1.00 0.00 C ATOM 515 C ALA A 37 -7.805 -0.799 0.337 1.00 0.00 C ATOM 516 O ALA A 37 -6.811 -1.505 0.506 1.00 0.00 O ATOM 517 CB ALA A 37 -7.899 1.371 1.578 1.00 0.00 C ATOM 0 H ALA A 37 -9.282 1.923 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.665 0.945 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.192 0.963 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.749 2.447 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.916 1.172 1.915 1.00 0.00 H new ATOM 523 N VAL A 38 -9.036 -1.292 0.245 1.00 0.00 N ATOM 524 CA VAL A 38 -9.295 -2.724 0.338 1.00 0.00 C ATOM 525 C VAL A 38 -8.650 -3.475 -0.821 1.00 0.00 C ATOM 526 O VAL A 38 -7.934 -4.455 -0.617 1.00 0.00 O ATOM 527 CB VAL A 38 -10.806 -3.021 0.351 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.058 -4.511 0.174 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.437 -2.514 1.639 1.00 0.00 C ATOM 0 H VAL A 38 -9.870 -0.721 0.106 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.857 -3.065 1.276 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.270 -2.497 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.131 -4.702 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.641 -4.840 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.583 -5.060 0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.505 -2.732 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.972 -3.009 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.287 -1.437 1.718 1.00 0.00 H new ATOM 539 N ARG A 39 -8.908 -3.008 -2.038 1.00 0.00 N ATOM 540 CA ARG A 39 -8.353 -3.637 -3.231 1.00 0.00 C ATOM 541 C ARG A 39 -6.834 -3.741 -3.134 1.00 0.00 C ATOM 542 O ARG A 39 -6.269 -4.829 -3.245 1.00 0.00 O ATOM 543 CB ARG A 39 -8.742 -2.842 -4.480 1.00 0.00 C ATOM 544 CG ARG A 39 -10.096 -3.229 -5.050 1.00 0.00 C ATOM 545 CD ARG A 39 -10.241 -2.778 -6.495 1.00 0.00 C ATOM 546 NE ARG A 39 -11.340 -3.460 -7.174 1.00 0.00 N ATOM 547 CZ ARG A 39 -11.516 -3.439 -8.491 1.00 0.00 C ATOM 548 NH1 ARG A 39 -10.670 -2.775 -9.266 1.00 0.00 N ATOM 549 NH2 ARG A 39 -12.540 -4.085 -9.034 1.00 0.00 N ATOM 0 H ARG A 39 -9.497 -2.197 -2.224 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.765 -4.643 -3.306 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.750 -1.780 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.980 -2.988 -5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.222 -4.310 -4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -10.887 -2.783 -4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.410 -1.702 -6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.310 -2.969 -7.029 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.009 -3.981 -6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.881 -2.278 -8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.808 -2.761 -10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.192 -4.598 -8.440 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.675 -4.069 -10.045 1.00 0.00 H new ATOM 563 N ILE A 40 -6.180 -2.603 -2.928 1.00 0.00 N ATOM 564 CA ILE A 40 -4.727 -2.567 -2.815 1.00 0.00 C ATOM 565 C ILE A 40 -4.236 -3.516 -1.728 1.00 0.00 C ATOM 566 O ILE A 40 -3.278 -4.263 -1.927 1.00 0.00 O ATOM 567 CB ILE A 40 -4.221 -1.145 -2.507 1.00 0.00 C ATOM 568 CG1 ILE A 40 -4.740 -0.158 -3.554 1.00 0.00 C ATOM 569 CG2 ILE A 40 -2.701 -1.123 -2.457 1.00 0.00 C ATOM 570 CD1 ILE A 40 -4.229 1.253 -3.360 1.00 0.00 C ATOM 0 H ILE A 40 -6.633 -1.694 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.328 -2.885 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.601 -0.843 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.451 -0.507 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.830 -0.149 -3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.359 -0.111 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.353 -1.800 -1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.301 -1.441 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.638 1.898 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.540 1.621 -2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.141 1.257 -3.420 1.00 0.00 H new ATOM 582 N ALA A 41 -4.901 -3.484 -0.577 1.00 0.00 N ATOM 583 CA ALA A 41 -4.535 -4.344 0.541 1.00 0.00 C ATOM 584 C ALA A 41 -4.604 -5.815 0.147 1.00 0.00 C ATOM 585 O ALA A 41 -3.659 -6.572 0.369 1.00 0.00 O ATOM 586 CB ALA A 41 -5.439 -4.071 1.734 1.00 0.00 C ATOM 0 H ALA A 41 -5.696 -2.871 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.506 -4.118 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.155 -4.720 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.336 -3.029 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.475 -4.268 1.458 1.00 0.00 H new ATOM 592 N ARG A 42 -5.729 -6.215 -0.437 1.00 0.00 N ATOM 593 CA ARG A 42 -5.922 -7.596 -0.859 1.00 0.00 C ATOM 594 C ARG A 42 -4.763 -8.064 -1.735 1.00 0.00 C ATOM 595 O ARG A 42 -4.334 -9.214 -1.651 1.00 0.00 O ATOM 596 CB ARG A 42 -7.241 -7.740 -1.621 1.00 0.00 C ATOM 597 CG ARG A 42 -8.470 -7.503 -0.759 1.00 0.00 C ATOM 598 CD ARG A 42 -9.661 -7.063 -1.597 1.00 0.00 C ATOM 599 NE ARG A 42 -10.365 -8.198 -2.187 1.00 0.00 N ATOM 600 CZ ARG A 42 -11.460 -8.079 -2.929 1.00 0.00 C ATOM 601 NH1 ARG A 42 -11.973 -6.881 -3.172 1.00 0.00 N ATOM 602 NH2 ARG A 42 -12.044 -9.160 -3.431 1.00 0.00 N ATOM 0 H ARG A 42 -6.521 -5.601 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.956 -8.220 0.034 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.249 -7.035 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.296 -8.740 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.720 -8.417 -0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.250 -6.742 -0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.351 -6.492 -0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.320 -6.396 -2.389 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.995 -9.134 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.527 -6.048 -2.789 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.814 -6.792 -3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.652 -10.083 -3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.885 -9.067 -4.001 1.00 0.00 H new ATOM 616 N GLU A 43 -4.262 -7.163 -2.575 1.00 0.00 N ATOM 617 CA GLU A 43 -3.154 -7.485 -3.467 1.00 0.00 C ATOM 618 C GLU A 43 -1.860 -7.671 -2.681 1.00 0.00 C ATOM 619 O GLU A 43 -1.025 -8.506 -3.029 1.00 0.00 O ATOM 620 CB GLU A 43 -2.976 -6.382 -4.513 1.00 0.00 C ATOM 621 CG GLU A 43 -3.799 -6.597 -5.771 1.00 0.00 C ATOM 622 CD GLU A 43 -3.171 -5.960 -6.995 1.00 0.00 C ATOM 623 OE1 GLU A 43 -2.335 -6.623 -7.645 1.00 0.00 O ATOM 624 OE2 GLU A 43 -3.516 -4.800 -7.304 1.00 0.00 O ATOM 0 H GLU A 43 -4.605 -6.206 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.388 -8.421 -3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.250 -5.425 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.922 -6.318 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.919 -7.667 -5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.797 -6.184 -5.623 1.00 0.00 H new ATOM 631 N ILE A 44 -1.700 -6.886 -1.621 1.00 0.00 N ATOM 632 CA ILE A 44 -0.508 -6.964 -0.786 1.00 0.00 C ATOM 633 C ILE A 44 -0.531 -8.212 0.090 1.00 0.00 C ATOM 634 O ILE A 44 0.515 -8.753 0.446 1.00 0.00 O ATOM 635 CB ILE A 44 -0.369 -5.722 0.114 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.216 -4.461 -0.740 1.00 0.00 C ATOM 637 CG2 ILE A 44 0.817 -5.878 1.054 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.002 -3.203 0.073 1.00 0.00 C ATOM 0 H ILE A 44 -2.381 -6.189 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 44 0.347 -7.012 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.273 -5.624 0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.626 -4.592 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.107 -4.339 -1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.902 -4.992 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.670 -6.757 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.730 -5.997 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.098 -2.349 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.855 -3.047 0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.905 -3.305 0.669 1.00 0.00 H new ATOM 650 N GLY A 45 -1.733 -8.666 0.433 1.00 0.00 N ATOM 651 CA GLY A 45 -1.871 -9.848 1.263 1.00 0.00 C ATOM 652 C GLY A 45 -1.906 -9.518 2.742 1.00 0.00 C ATOM 653 O GLY A 45 -0.890 -9.139 3.325 1.00 0.00 O ATOM 0 H GLY A 45 -2.614 -8.236 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.785 -10.375 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.041 -10.526 1.065 1.00 0.00 H new ATOM 657 N TYR A 46 -3.078 -9.659 3.350 1.00 0.00 N ATOM 658 CA TYR A 46 -3.243 -9.369 4.770 1.00 0.00 C ATOM 659 C TYR A 46 -2.384 -10.301 5.619 1.00 0.00 C ATOM 660 O TYR A 46 -2.055 -11.419 5.222 1.00 0.00 O ATOM 661 CB TYR A 46 -4.712 -9.502 5.172 1.00 0.00 C ATOM 662 CG TYR A 46 -5.601 -8.428 4.587 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.820 -7.235 5.266 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.221 -8.605 3.356 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.632 -6.251 4.736 1.00 0.00 C ATOM 666 CE2 TYR A 46 -7.032 -7.625 2.818 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.235 -6.450 3.511 1.00 0.00 C ATOM 668 OH TYR A 46 -8.044 -5.472 2.979 1.00 0.00 O ATOM 0 H TYR A 46 -3.928 -9.972 2.882 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.918 -8.344 4.946 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.079 -10.478 4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.786 -9.471 6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.347 -7.075 6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.066 -9.524 2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.794 -5.331 5.278 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.505 -7.778 1.859 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.389 -5.769 2.111 1.00 0.00 H new ATOM 678 N PRO A 47 -2.013 -9.831 6.820 1.00 0.00 N ATOM 679 CA PRO A 47 -2.398 -8.502 7.303 1.00 0.00 C ATOM 680 C PRO A 47 -1.700 -7.382 6.540 1.00 0.00 C ATOM 681 O PRO A 47 -0.683 -7.606 5.882 1.00 0.00 O ATOM 682 CB PRO A 47 -1.949 -8.513 8.767 1.00 0.00 C ATOM 683 CG PRO A 47 -0.843 -9.510 8.816 1.00 0.00 C ATOM 684 CD PRO A 47 -1.188 -10.561 7.797 1.00 0.00 C ATOM 0 HA PRO A 47 -3.463 -8.314 7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.608 -7.527 9.084 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.767 -8.796 9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.114 -9.043 8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.754 -9.946 9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.295 -10.981 7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.735 -11.391 8.245 1.00 0.00 H new ATOM 692 N VAL A 48 -2.251 -6.176 6.632 1.00 0.00 N ATOM 693 CA VAL A 48 -1.680 -5.020 5.951 1.00 0.00 C ATOM 694 C VAL A 48 -1.624 -3.810 6.875 1.00 0.00 C ATOM 695 O VAL A 48 -2.628 -3.430 7.478 1.00 0.00 O ATOM 696 CB VAL A 48 -2.488 -4.655 4.692 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.327 -5.726 3.624 1.00 0.00 C ATOM 698 CG2 VAL A 48 -3.955 -4.454 5.041 1.00 0.00 C ATOM 0 H VAL A 48 -3.093 -5.974 7.172 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.667 -5.295 5.656 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.101 -3.718 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.905 -5.450 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.275 -5.816 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.686 -6.681 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.511 -4.197 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.357 -5.374 5.466 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.049 -3.647 5.768 1.00 0.00 H new ATOM 708 N MET A 49 -0.444 -3.207 6.982 1.00 0.00 N ATOM 709 CA MET A 49 -0.259 -2.037 7.833 1.00 0.00 C ATOM 710 C MET A 49 -0.585 -0.755 7.073 1.00 0.00 C ATOM 711 O MET A 49 -0.106 -0.545 5.959 1.00 0.00 O ATOM 712 CB MET A 49 1.179 -1.983 8.354 1.00 0.00 C ATOM 713 CG MET A 49 1.514 -0.688 9.078 1.00 0.00 C ATOM 714 SD MET A 49 3.290 -0.434 9.260 1.00 0.00 S ATOM 715 CE MET A 49 3.759 -1.932 10.124 1.00 0.00 C ATOM 0 H MET A 49 0.397 -3.509 6.491 1.00 0.00 H new ATOM 0 HA MET A 49 -0.942 -2.121 8.678 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.343 -2.821 9.031 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.865 -2.110 7.517 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.085 0.151 8.531 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.049 -0.697 10.064 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.633 -1.735 10.745 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.933 -2.262 10.754 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.997 -2.711 9.399 1.00 0.00 H new ATOM 725 N ILE A 50 -1.402 0.096 7.683 1.00 0.00 N ATOM 726 CA ILE A 50 -1.792 1.357 7.064 1.00 0.00 C ATOM 727 C ILE A 50 -1.229 2.546 7.836 1.00 0.00 C ATOM 728 O ILE A 50 -1.263 2.574 9.066 1.00 0.00 O ATOM 729 CB ILE A 50 -3.323 1.493 6.979 1.00 0.00 C ATOM 730 CG1 ILE A 50 -3.908 0.380 6.108 1.00 0.00 C ATOM 731 CG2 ILE A 50 -3.704 2.860 6.428 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.310 -0.026 6.507 1.00 0.00 C ATOM 0 H ILE A 50 -1.807 -0.064 8.605 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.379 1.354 6.055 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.738 1.399 7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.916 0.709 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.257 -0.492 6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.790 2.941 6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.314 3.638 7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.281 2.981 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.661 -0.819 5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.306 -0.386 7.536 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.975 0.834 6.426 1.00 0.00 H new ATOM 744 N LYS A 51 -0.712 3.528 7.105 1.00 0.00 N ATOM 745 CA LYS A 51 -0.145 4.722 7.720 1.00 0.00 C ATOM 746 C LYS A 51 -0.557 5.976 6.955 1.00 0.00 C ATOM 747 O LYS A 51 -0.927 5.906 5.784 1.00 0.00 O ATOM 748 CB LYS A 51 1.382 4.620 7.767 1.00 0.00 C ATOM 749 CG LYS A 51 1.886 3.285 8.288 1.00 0.00 C ATOM 750 CD LYS A 51 3.209 2.900 7.647 1.00 0.00 C ATOM 751 CE LYS A 51 3.031 2.523 6.185 1.00 0.00 C ATOM 752 NZ LYS A 51 4.251 2.819 5.383 1.00 0.00 N ATOM 0 H LYS A 51 -0.674 3.520 6.086 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.530 4.795 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.780 4.783 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.772 5.418 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.007 3.338 9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.145 2.512 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.909 3.732 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.647 2.062 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.796 1.461 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.183 3.068 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.981 3.010 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.732 3.653 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.893 2.002 5.414 1.00 0.00 H new ATOM 766 N ALA A 52 -0.490 7.121 7.626 1.00 0.00 N ATOM 767 CA ALA A 52 -0.853 8.391 7.008 1.00 0.00 C ATOM 768 C ALA A 52 0.289 8.933 6.156 1.00 0.00 C ATOM 769 O ALA A 52 1.295 9.412 6.680 1.00 0.00 O ATOM 770 CB ALA A 52 -1.245 9.403 8.074 1.00 0.00 C ATOM 0 H ALA A 52 -0.188 7.196 8.597 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.708 8.218 6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.514 10.346 7.599 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.098 9.025 8.638 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.405 9.563 8.750 1.00 0.00 H new ATOM 776 N SER A 53 0.128 8.855 4.839 1.00 0.00 N ATOM 777 CA SER A 53 1.148 9.334 3.914 1.00 0.00 C ATOM 778 C SER A 53 1.737 10.657 4.392 1.00 0.00 C ATOM 779 O SER A 53 2.952 10.849 4.379 1.00 0.00 O ATOM 780 CB SER A 53 0.557 9.502 2.512 1.00 0.00 C ATOM 781 OG SER A 53 1.552 9.339 1.516 1.00 0.00 O ATOM 0 H SER A 53 -0.700 8.464 4.388 1.00 0.00 H new ATOM 0 HA SER A 53 1.947 8.593 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.238 8.772 2.359 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.105 10.490 2.421 1.00 0.00 H new ATOM 0 HG SER A 53 1.149 9.449 0.630 1.00 0.00 H new ATOM 787 N ALA A 54 0.865 11.567 4.815 1.00 0.00 N ATOM 788 CA ALA A 54 1.298 12.872 5.299 1.00 0.00 C ATOM 789 C ALA A 54 2.491 12.740 6.240 1.00 0.00 C ATOM 790 O ALA A 54 3.426 13.538 6.187 1.00 0.00 O ATOM 791 CB ALA A 54 0.148 13.583 5.998 1.00 0.00 C ATOM 0 H ALA A 54 -0.145 11.424 4.832 1.00 0.00 H new ATOM 0 HA ALA A 54 1.610 13.466 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.485 14.556 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.676 13.719 5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.190 12.984 6.844 1.00 0.00 H new ATOM 797 N GLY A 55 2.451 11.728 7.101 1.00 0.00 N ATOM 798 CA GLY A 55 3.535 11.511 8.041 1.00 0.00 C ATOM 799 C GLY A 55 3.466 10.149 8.702 1.00 0.00 C ATOM 800 O GLY A 55 3.374 10.048 9.925 1.00 0.00 O ATOM 0 H GLY A 55 1.687 11.055 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.488 11.611 7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.507 12.285 8.808 1.00 0.00 H new ATOM 804 N GLY A 56 3.508 9.096 7.890 1.00 0.00 N ATOM 805 CA GLY A 56 3.446 7.747 8.421 1.00 0.00 C ATOM 806 C GLY A 56 4.645 7.409 9.286 1.00 0.00 C ATOM 807 O GLY A 56 4.938 8.109 10.254 1.00 0.00 O ATOM 0 H GLY A 56 3.584 9.154 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.535 7.632 9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.385 7.037 7.596 1.00 0.00 H new ATOM 811 N GLY A 57 5.339 6.330 8.937 1.00 0.00 N ATOM 812 CA GLY A 57 6.503 5.918 9.699 1.00 0.00 C ATOM 813 C GLY A 57 6.132 5.183 10.972 1.00 0.00 C ATOM 814 O GLY A 57 6.688 5.451 12.036 1.00 0.00 O ATOM 0 H GLY A 57 5.116 5.734 8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.129 5.275 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.098 6.796 9.950 1.00 0.00 H new ATOM 818 N GLY A 58 5.187 4.253 10.863 1.00 0.00 N ATOM 819 CA GLY A 58 4.758 3.494 12.023 1.00 0.00 C ATOM 820 C GLY A 58 4.493 4.374 13.227 1.00 0.00 C ATOM 821 O GLY A 58 4.744 3.976 14.365 1.00 0.00 O ATOM 0 H GLY A 58 4.712 4.012 9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.853 2.940 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.523 2.759 12.275 1.00 0.00 H new ATOM 825 N LYS A 59 3.984 5.577 12.979 1.00 0.00 N ATOM 826 CA LYS A 59 3.685 6.518 14.052 1.00 0.00 C ATOM 827 C LYS A 59 2.306 6.246 14.645 1.00 0.00 C ATOM 828 O LYS A 59 1.349 6.968 14.371 1.00 0.00 O ATOM 829 CB LYS A 59 3.753 7.955 13.531 1.00 0.00 C ATOM 830 CG LYS A 59 5.162 8.523 13.497 1.00 0.00 C ATOM 831 CD LYS A 59 5.707 8.745 14.898 1.00 0.00 C ATOM 832 CE LYS A 59 6.974 9.587 14.877 1.00 0.00 C ATOM 833 NZ LYS A 59 7.287 10.152 16.218 1.00 0.00 N ATOM 0 H LYS A 59 3.770 5.923 12.044 1.00 0.00 H new ATOM 0 HA LYS A 59 4.431 6.386 14.836 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.332 7.989 12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.129 8.590 14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.817 7.841 12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.162 9.467 12.952 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.951 9.238 15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.916 7.782 15.365 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.810 8.976 14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.859 10.399 14.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.157 10.719 16.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.500 10.755 16.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.423 9.377 16.898 1.00 0.00 H new ATOM 847 N GLY A 60 2.213 5.200 15.460 1.00 0.00 N ATOM 848 CA GLY A 60 0.948 4.853 16.080 1.00 0.00 C ATOM 849 C GLY A 60 -0.164 4.669 15.066 1.00 0.00 C ATOM 850 O GLY A 60 -1.329 4.934 15.359 1.00 0.00 O ATOM 0 H GLY A 60 2.991 4.587 15.702 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.068 3.934 16.654 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.666 5.635 16.786 1.00 0.00 H new ATOM 854 N MET A 61 0.197 4.217 13.870 1.00 0.00 N ATOM 855 CA MET A 61 -0.779 3.999 12.809 1.00 0.00 C ATOM 856 C MET A 61 -1.688 2.819 13.140 1.00 0.00 C ATOM 857 O MET A 61 -1.593 2.234 14.219 1.00 0.00 O ATOM 858 CB MET A 61 -0.069 3.753 11.476 1.00 0.00 C ATOM 859 CG MET A 61 0.271 2.292 11.230 1.00 0.00 C ATOM 860 SD MET A 61 1.529 1.671 12.363 1.00 0.00 S ATOM 861 CE MET A 61 0.664 0.289 13.104 1.00 0.00 C ATOM 0 H MET A 61 1.158 3.995 13.611 1.00 0.00 H new ATOM 0 HA MET A 61 -1.393 4.895 12.725 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.702 4.112 10.665 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.848 4.341 11.448 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.632 1.691 11.332 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.620 2.172 10.204 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.862 0.268 14.176 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.407 0.397 12.935 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.010 -0.641 12.653 1.00 0.00 H new ATOM 871 N ARG A 62 -2.568 2.476 12.205 1.00 0.00 N ATOM 872 CA ARG A 62 -3.494 1.367 12.399 1.00 0.00 C ATOM 873 C ARG A 62 -3.212 0.243 11.406 1.00 0.00 C ATOM 874 O ARG A 62 -2.661 0.476 10.330 1.00 0.00 O ATOM 875 CB ARG A 62 -4.938 1.848 12.245 1.00 0.00 C ATOM 876 CG ARG A 62 -5.960 0.923 12.886 1.00 0.00 C ATOM 877 CD ARG A 62 -7.277 1.638 13.139 1.00 0.00 C ATOM 878 NE ARG A 62 -7.309 2.281 14.450 1.00 0.00 N ATOM 879 CZ ARG A 62 -7.231 1.614 15.597 1.00 0.00 C ATOM 880 NH1 ARG A 62 -7.118 0.293 15.593 1.00 0.00 N ATOM 881 NH2 ARG A 62 -7.266 2.270 16.750 1.00 0.00 N ATOM 0 H ARG A 62 -2.659 2.950 11.306 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.353 0.981 13.408 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.031 2.840 12.687 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.167 1.949 11.184 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.130 0.063 12.239 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.566 0.540 13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.437 2.387 12.364 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.097 0.924 13.066 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.396 3.297 14.487 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.091 -0.214 14.708 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.058 -0.216 16.475 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.353 3.286 16.756 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.206 1.758 17.630 1.00 0.00 H new ATOM 895 N ILE A 63 -3.594 -0.975 11.775 1.00 0.00 N ATOM 896 CA ILE A 63 -3.382 -2.134 10.916 1.00 0.00 C ATOM 897 C ILE A 63 -4.693 -2.865 10.648 1.00 0.00 C ATOM 898 O ILE A 63 -5.557 -2.952 11.520 1.00 0.00 O ATOM 899 CB ILE A 63 -2.376 -3.120 11.539 1.00 0.00 C ATOM 900 CG1 ILE A 63 -1.078 -2.396 11.901 1.00 0.00 C ATOM 901 CG2 ILE A 63 -2.099 -4.269 10.581 1.00 0.00 C ATOM 902 CD1 ILE A 63 -0.145 -3.221 12.761 1.00 0.00 C ATOM 0 H ILE A 63 -4.051 -1.185 12.662 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.977 -1.761 9.975 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.808 -3.530 12.452 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.560 -2.115 10.984 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.321 -1.472 12.426 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.386 -4.958 11.035 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.028 -4.797 10.368 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.683 -3.877 9.653 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.754 -2.645 12.978 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.644 -3.480 13.694 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.128 -4.133 12.230 1.00 0.00 H new ATOM 914 N ALA A 64 -4.833 -3.391 9.435 1.00 0.00 N ATOM 915 CA ALA A 64 -6.037 -4.119 9.053 1.00 0.00 C ATOM 916 C ALA A 64 -5.713 -5.564 8.689 1.00 0.00 C ATOM 917 O ALA A 64 -4.700 -5.840 8.047 1.00 0.00 O ATOM 918 CB ALA A 64 -6.727 -3.423 7.889 1.00 0.00 C ATOM 0 H ALA A 64 -4.128 -3.326 8.701 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.712 -4.130 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.624 -3.977 7.614 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.002 -2.410 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.050 -3.383 7.036 1.00 0.00 H new ATOM 924 N TRP A 65 -6.578 -6.482 9.105 1.00 0.00 N ATOM 925 CA TRP A 65 -6.382 -7.900 8.824 1.00 0.00 C ATOM 926 C TRP A 65 -7.419 -8.405 7.826 1.00 0.00 C ATOM 927 O TRP A 65 -7.242 -9.457 7.212 1.00 0.00 O ATOM 928 CB TRP A 65 -6.462 -8.713 10.116 1.00 0.00 C ATOM 929 CG TRP A 65 -5.316 -8.459 11.049 1.00 0.00 C ATOM 930 CD1 TRP A 65 -5.129 -7.360 11.837 1.00 0.00 C ATOM 931 CD2 TRP A 65 -4.199 -9.322 11.289 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.963 -7.487 12.553 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.375 -8.683 12.235 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.817 -10.574 10.799 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -2.191 -9.253 12.697 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.642 -11.138 11.258 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.841 -10.479 12.200 1.00 0.00 C ATOM 0 H TRP A 65 -7.422 -6.270 9.638 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.392 -8.025 8.386 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.396 -8.479 10.627 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.491 -9.774 9.868 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.799 -6.515 11.890 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.595 -6.802 13.214 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.429 -11.091 10.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.571 -8.746 13.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.336 -12.104 10.884 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.930 -10.948 12.540 1.00 0.00 H new ATOM 948 N ASP A 66 -8.500 -7.648 7.669 1.00 0.00 N ATOM 949 CA ASP A 66 -9.565 -8.019 6.744 1.00 0.00 C ATOM 950 C ASP A 66 -10.171 -6.782 6.090 1.00 0.00 C ATOM 951 O ASP A 66 -10.056 -5.673 6.610 1.00 0.00 O ATOM 952 CB ASP A 66 -10.651 -8.810 7.475 1.00 0.00 C ATOM 953 CG ASP A 66 -10.076 -9.848 8.419 1.00 0.00 C ATOM 954 OD1 ASP A 66 -9.285 -10.697 7.957 1.00 0.00 O ATOM 955 OD2 ASP A 66 -10.417 -9.810 9.619 1.00 0.00 O ATOM 0 H ASP A 66 -8.662 -6.774 8.170 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.134 -8.646 5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.281 -8.121 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.291 -9.303 6.744 1.00 0.00 H new ATOM 960 N ASP A 67 -10.817 -6.981 4.946 1.00 0.00 N ATOM 961 CA ASP A 67 -11.442 -5.882 4.220 1.00 0.00 C ATOM 962 C ASP A 67 -12.187 -4.954 5.175 1.00 0.00 C ATOM 963 O ASP A 67 -12.075 -3.732 5.081 1.00 0.00 O ATOM 964 CB ASP A 67 -12.404 -6.423 3.161 1.00 0.00 C ATOM 965 CG ASP A 67 -11.763 -7.478 2.281 1.00 0.00 C ATOM 966 OD1 ASP A 67 -11.450 -8.570 2.798 1.00 0.00 O ATOM 967 OD2 ASP A 67 -11.573 -7.210 1.076 1.00 0.00 O ATOM 0 H ASP A 67 -10.921 -7.893 4.502 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.655 -5.311 3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.280 -6.847 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.755 -5.600 2.539 1.00 0.00 H new ATOM 972 N GLU A 68 -12.947 -5.543 6.092 1.00 0.00 N ATOM 973 CA GLU A 68 -13.711 -4.768 7.062 1.00 0.00 C ATOM 974 C GLU A 68 -12.796 -3.853 7.870 1.00 0.00 C ATOM 975 O GLU A 68 -13.113 -2.686 8.099 1.00 0.00 O ATOM 976 CB GLU A 68 -14.477 -5.700 8.003 1.00 0.00 C ATOM 977 CG GLU A 68 -13.595 -6.723 8.699 1.00 0.00 C ATOM 978 CD GLU A 68 -14.362 -7.582 9.685 1.00 0.00 C ATOM 979 OE1 GLU A 68 -15.051 -8.524 9.242 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.273 -7.311 10.901 1.00 0.00 O ATOM 0 H GLU A 68 -13.050 -6.554 6.184 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.423 -4.150 6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.988 -5.101 8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.247 -6.223 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.129 -7.364 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.790 -6.207 9.222 1.00 0.00 H new ATOM 987 N GLU A 69 -11.659 -4.392 8.299 1.00 0.00 N ATOM 988 CA GLU A 69 -10.698 -3.624 9.083 1.00 0.00 C ATOM 989 C GLU A 69 -10.052 -2.533 8.233 1.00 0.00 C ATOM 990 O GLU A 69 -9.756 -1.442 8.722 1.00 0.00 O ATOM 991 CB GLU A 69 -9.620 -4.546 9.655 1.00 0.00 C ATOM 992 CG GLU A 69 -10.167 -5.622 10.579 1.00 0.00 C ATOM 993 CD GLU A 69 -9.099 -6.219 11.474 1.00 0.00 C ATOM 994 OE1 GLU A 69 -8.025 -5.598 11.613 1.00 0.00 O ATOM 995 OE2 GLU A 69 -9.338 -7.309 12.036 1.00 0.00 O ATOM 0 H GLU A 69 -11.381 -5.356 8.117 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.234 -3.151 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.087 -5.022 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.892 -3.945 10.201 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.958 -5.197 11.197 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.619 -6.413 9.981 1.00 0.00 H new ATOM 1002 N THR A 70 -9.835 -2.836 6.957 1.00 0.00 N ATOM 1003 CA THR A 70 -9.222 -1.884 6.039 1.00 0.00 C ATOM 1004 C THR A 70 -10.063 -0.618 5.917 1.00 0.00 C ATOM 1005 O THR A 70 -9.546 0.494 6.020 1.00 0.00 O ATOM 1006 CB THR A 70 -9.031 -2.497 4.639 1.00 0.00 C ATOM 1007 OG1 THR A 70 -8.270 -3.706 4.733 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.325 -1.518 3.712 1.00 0.00 C ATOM 0 H THR A 70 -10.075 -3.733 6.536 1.00 0.00 H new ATOM 0 HA THR A 70 -8.246 -1.630 6.452 1.00 0.00 H new ATOM 0 HB THR A 70 -10.015 -2.719 4.226 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.160 -4.094 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.201 -1.973 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.921 -0.610 3.619 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.346 -1.269 4.123 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.362 -0.796 5.699 1.00 0.00 N ATOM 1017 CA ARG A 71 -12.275 0.333 5.562 1.00 0.00 C ATOM 1018 C ARG A 71 -12.401 1.092 6.880 1.00 0.00 C ATOM 1019 O ARG A 71 -12.393 2.323 6.902 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.652 -0.150 5.105 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.630 -0.885 3.775 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.759 -1.900 3.680 1.00 0.00 C ATOM 1023 NE ARG A 71 -15.095 -2.215 2.294 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.156 -2.933 1.941 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -16.978 -3.406 2.867 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -16.396 -3.178 0.659 1.00 0.00 N ATOM 0 H ARG A 71 -11.806 -1.710 5.613 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.868 1.009 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.068 -0.809 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.320 0.707 5.025 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.716 -0.167 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.673 -1.392 3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.470 -2.813 4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.641 -1.510 4.187 1.00 0.00 H new ATOM 0 HE ARG A 71 -14.482 -1.865 1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.797 -3.219 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.792 -3.957 2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -15.766 -2.815 -0.056 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.211 -3.729 0.389 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.518 0.350 7.975 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.646 0.953 9.297 1.00 0.00 C ATOM 1042 C ASP A 72 -11.349 1.644 9.707 1.00 0.00 C ATOM 1043 O ASP A 72 -11.367 2.653 10.411 1.00 0.00 O ATOM 1044 CB ASP A 72 -13.021 -0.110 10.331 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.521 -0.268 10.480 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -15.185 -0.603 9.477 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -15.032 -0.056 11.600 1.00 0.00 O ATOM 0 H ASP A 72 -12.527 -0.670 7.974 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.437 1.702 9.253 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.585 -1.066 10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.589 0.157 11.295 1.00 0.00 H new ATOM 1052 N GLY A 73 -10.224 1.092 9.262 1.00 0.00 N ATOM 1053 CA GLY A 73 -8.934 1.667 9.593 1.00 0.00 C ATOM 1054 C GLY A 73 -8.557 2.814 8.676 1.00 0.00 C ATOM 1055 O GLY A 73 -7.894 3.763 9.096 1.00 0.00 O ATOM 0 H GLY A 73 -10.184 0.257 8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.951 2.021 10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.169 0.893 9.535 1.00 0.00 H new ATOM 1059 N PHE A 74 -8.979 2.726 7.419 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.680 3.764 6.438 1.00 0.00 C ATOM 1061 C PHE A 74 -9.385 5.069 6.795 1.00 0.00 C ATOM 1062 O PHE A 74 -8.840 6.155 6.598 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.100 3.309 5.039 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.221 4.436 4.054 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -10.404 5.148 3.938 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -8.153 4.783 3.243 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -10.519 6.186 3.032 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -8.261 5.820 2.336 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.446 6.522 2.230 1.00 0.00 C ATOM 0 H PHE A 74 -9.529 1.947 7.055 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.604 3.939 6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.373 2.588 4.666 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.057 2.791 5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.246 4.889 4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.225 4.237 3.320 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.447 6.733 2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.420 6.081 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.533 7.332 1.521 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.600 4.953 7.319 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.382 6.123 7.702 1.00 0.00 C ATOM 1081 C ARG A 75 -10.715 6.870 8.853 1.00 0.00 C ATOM 1082 O ARG A 75 -10.528 8.086 8.793 1.00 0.00 O ATOM 1083 CB ARG A 75 -12.799 5.708 8.103 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.585 5.060 6.975 1.00 0.00 C ATOM 1085 CD ARG A 75 -14.728 4.210 7.509 1.00 0.00 C ATOM 1086 NE ARG A 75 -15.790 4.038 6.522 1.00 0.00 N ATOM 1087 CZ ARG A 75 -16.592 5.021 6.127 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -16.453 6.238 6.632 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -17.536 4.786 5.224 1.00 0.00 N ATOM 0 H ARG A 75 -11.065 4.061 7.488 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.436 6.790 6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.742 5.013 8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.340 6.587 8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.982 5.832 6.316 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.919 4.440 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.346 3.233 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.138 4.676 8.405 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.924 3.113 6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.729 6.422 7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.070 6.990 6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.646 3.850 4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.151 5.541 4.921 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.357 6.135 9.900 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.711 6.727 11.066 1.00 0.00 C ATOM 1105 C LEU A 76 -8.377 7.362 10.685 1.00 0.00 C ATOM 1106 O LEU A 76 -8.209 8.578 10.773 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.494 5.667 12.147 1.00 0.00 C ATOM 1108 CG LEU A 76 -10.731 4.871 12.564 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.334 3.668 13.405 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -11.705 5.759 13.326 1.00 0.00 C ATOM 0 H LEU A 76 -10.503 5.128 9.965 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.365 7.506 11.457 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.738 4.966 11.794 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.087 6.157 13.031 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.227 4.510 11.663 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.228 3.114 13.692 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.676 3.020 12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.813 4.006 14.301 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.579 5.176 13.615 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.218 6.150 14.219 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.016 6.588 12.690 1.00 0.00 H new ATOM 1122 N SER A 77 -7.431 6.530 10.260 1.00 0.00 N ATOM 1123 CA SER A 77 -6.111 7.009 9.867 1.00 0.00 C ATOM 1124 C SER A 77 -6.225 8.215 8.941 1.00 0.00 C ATOM 1125 O SER A 77 -5.330 9.059 8.889 1.00 0.00 O ATOM 1126 CB SER A 77 -5.325 5.893 9.176 1.00 0.00 C ATOM 1127 OG SER A 77 -5.169 4.774 10.032 1.00 0.00 O ATOM 0 H SER A 77 -7.554 5.521 10.179 1.00 0.00 H new ATOM 0 HA SER A 77 -5.579 7.314 10.768 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.842 5.589 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.345 6.265 8.877 1.00 0.00 H new ATOM 0 HG SER A 77 -5.949 4.187 9.948 1.00 0.00 H new ATOM 1133 N SER A 78 -7.333 8.290 8.210 1.00 0.00 N ATOM 1134 CA SER A 78 -7.564 9.391 7.282 1.00 0.00 C ATOM 1135 C SER A 78 -7.886 10.678 8.034 1.00 0.00 C ATOM 1136 O SER A 78 -7.176 11.675 7.912 1.00 0.00 O ATOM 1137 CB SER A 78 -8.706 9.047 6.324 1.00 0.00 C ATOM 1138 OG SER A 78 -8.255 8.211 5.272 1.00 0.00 O ATOM 0 H SER A 78 -8.085 7.601 8.243 1.00 0.00 H new ATOM 0 HA SER A 78 -6.651 9.546 6.707 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.506 8.549 6.871 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.126 9.964 5.910 1.00 0.00 H new ATOM 0 HG SER A 78 -8.671 7.328 5.355 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.963 10.647 8.813 1.00 0.00 N ATOM 1145 CA GLN A 79 -9.381 11.811 9.585 1.00 0.00 C ATOM 1146 C GLN A 79 -8.198 12.428 10.323 1.00 0.00 C ATOM 1147 O GLN A 79 -8.078 13.649 10.411 1.00 0.00 O ATOM 1148 CB GLN A 79 -10.473 11.422 10.583 1.00 0.00 C ATOM 1149 CG GLN A 79 -11.678 10.756 9.938 1.00 0.00 C ATOM 1150 CD GLN A 79 -12.389 9.802 10.877 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -11.985 9.627 12.027 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -13.456 9.178 10.391 1.00 0.00 N ATOM 0 H GLN A 79 -9.561 9.829 8.926 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.779 12.551 8.891 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.050 10.747 11.327 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.803 12.315 11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.378 11.523 9.607 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.356 10.213 9.050 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.756 9.353 9.432 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.975 8.524 10.977 1.00 0.00 H new ATOM 1161 N GLU A 80 -7.326 11.575 10.851 1.00 0.00 N ATOM 1162 CA GLU A 80 -6.152 12.038 11.582 1.00 0.00 C ATOM 1163 C GLU A 80 -5.272 12.917 10.698 1.00 0.00 C ATOM 1164 O GLU A 80 -5.175 14.126 10.907 1.00 0.00 O ATOM 1165 CB GLU A 80 -5.344 10.846 12.101 1.00 0.00 C ATOM 1166 CG GLU A 80 -6.010 10.116 13.256 1.00 0.00 C ATOM 1167 CD GLU A 80 -5.022 9.332 14.097 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -4.148 9.963 14.727 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -5.123 8.087 14.125 1.00 0.00 O ATOM 0 H GLU A 80 -7.410 10.561 10.786 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.494 12.632 12.429 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.182 10.144 11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.362 11.195 12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.527 10.838 13.888 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.767 9.437 12.864 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.632 12.299 9.711 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.761 13.025 8.794 1.00 0.00 C ATOM 1178 C ALA A 81 -4.417 14.316 8.320 1.00 0.00 C ATOM 1179 O ALA A 81 -3.789 15.374 8.306 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.398 12.147 7.606 1.00 0.00 C ATOM 0 H ALA A 81 -4.700 11.298 9.526 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.849 13.288 9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.748 12.701 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.880 11.255 7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.306 11.855 7.078 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.685 14.222 7.930 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.426 15.384 7.456 1.00 0.00 C ATOM 1188 C ALA A 82 -6.002 16.647 8.198 1.00 0.00 C ATOM 1189 O ALA A 82 -5.659 17.655 7.581 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.922 15.155 7.613 1.00 0.00 C ATOM 0 H ALA A 82 -6.219 13.353 7.933 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.199 15.522 6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.464 16.031 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.219 14.282 7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.156 14.988 8.664 1.00 0.00 H new ATOM 1196 N SER A 83 -6.027 16.584 9.526 1.00 0.00 N ATOM 1197 CA SER A 83 -5.649 17.725 10.352 1.00 0.00 C ATOM 1198 C SER A 83 -4.204 17.598 10.825 1.00 0.00 C ATOM 1199 O SER A 83 -3.401 18.515 10.657 1.00 0.00 O ATOM 1200 CB SER A 83 -6.584 17.841 11.557 1.00 0.00 C ATOM 1201 OG SER A 83 -7.938 17.693 11.168 1.00 0.00 O ATOM 0 H SER A 83 -6.305 15.756 10.052 1.00 0.00 H new ATOM 0 HA SER A 83 -5.736 18.626 9.745 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.329 17.079 12.294 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.444 18.809 12.038 1.00 0.00 H new ATOM 0 HG SER A 83 -8.515 17.769 11.956 1.00 0.00 H new ATOM 1207 N SER A 84 -3.881 16.453 11.418 1.00 0.00 N ATOM 1208 CA SER A 84 -2.535 16.205 11.920 1.00 0.00 C ATOM 1209 C SER A 84 -1.491 16.866 11.025 1.00 0.00 C ATOM 1210 O SER A 84 -0.496 17.407 11.507 1.00 0.00 O ATOM 1211 CB SER A 84 -2.269 14.701 12.009 1.00 0.00 C ATOM 1212 OG SER A 84 -3.076 14.098 13.005 1.00 0.00 O ATOM 0 H SER A 84 -4.533 15.682 11.562 1.00 0.00 H new ATOM 0 HA SER A 84 -2.461 16.639 12.917 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.469 14.236 11.044 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.217 14.527 12.235 1.00 0.00 H new ATOM 0 HG SER A 84 -4.005 14.061 12.695 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.726 16.816 9.718 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.807 17.409 8.753 1.00 0.00 C ATOM 1220 C PHE A 85 -1.537 18.383 7.833 1.00 0.00 C ATOM 1221 O PHE A 85 -1.075 19.499 7.601 1.00 0.00 O ATOM 1222 CB PHE A 85 -0.130 16.315 7.923 1.00 0.00 C ATOM 1223 CG PHE A 85 0.670 15.347 8.746 1.00 0.00 C ATOM 1224 CD1 PHE A 85 0.072 14.224 9.296 1.00 0.00 C ATOM 1225 CD2 PHE A 85 2.021 15.558 8.970 1.00 0.00 C ATOM 1226 CE1 PHE A 85 0.806 13.332 10.054 1.00 0.00 C ATOM 1227 CE2 PHE A 85 2.761 14.669 9.727 1.00 0.00 C ATOM 1228 CZ PHE A 85 2.152 13.554 10.269 1.00 0.00 C ATOM 0 H PHE A 85 -2.545 16.371 9.303 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.046 17.960 9.305 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.892 15.766 7.370 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.525 16.781 7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.980 14.044 9.130 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.502 16.428 8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.327 12.462 10.478 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.813 14.846 9.894 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.728 12.857 10.860 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.680 17.950 7.311 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.456 18.795 6.421 1.00 0.00 C ATOM 1240 C GLY A 86 -4.083 18.015 5.282 1.00 0.00 C ATOM 1241 O GLY A 86 -5.056 18.465 4.675 1.00 0.00 O ATOM 0 H GLY A 86 -3.083 17.030 7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.240 19.294 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.813 19.575 6.013 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.526 16.845 4.991 1.00 0.00 N ATOM 1246 CA ASP A 87 -4.037 16.002 3.916 1.00 0.00 C ATOM 1247 C ASP A 87 -4.528 14.664 4.462 1.00 0.00 C ATOM 1248 O ASP A 87 -4.124 14.238 5.544 1.00 0.00 O ATOM 1249 CB ASP A 87 -2.953 15.770 2.862 1.00 0.00 C ATOM 1250 CG ASP A 87 -2.939 16.850 1.799 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -3.149 18.031 2.149 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -2.718 16.516 0.617 1.00 0.00 O ATOM 0 H ASP A 87 -2.721 16.459 5.484 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.879 16.516 3.453 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.979 15.731 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.112 14.801 2.389 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.401 14.008 3.706 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.947 12.719 4.114 1.00 0.00 C ATOM 1259 C ASP A 88 -5.274 11.579 3.356 1.00 0.00 C ATOM 1260 O ASP A 88 -5.861 10.513 3.168 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.458 12.683 3.877 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.810 12.444 2.422 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -7.309 13.195 1.559 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -8.586 11.505 2.146 1.00 0.00 O ATOM 0 H ASP A 88 -5.746 14.347 2.808 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.750 12.590 5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.900 11.897 4.489 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.897 13.626 4.204 1.00 0.00 H new ATOM 1269 N ARG A 89 -4.039 11.812 2.922 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.287 10.805 2.182 1.00 0.00 C ATOM 1271 C ARG A 89 -2.851 9.668 3.101 1.00 0.00 C ATOM 1272 O ARG A 89 -2.177 9.892 4.108 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.062 11.439 1.520 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.397 12.616 0.620 1.00 0.00 C ATOM 1275 CD ARG A 89 -2.666 12.167 -0.808 1.00 0.00 C ATOM 1276 NE ARG A 89 -2.476 13.251 -1.768 1.00 0.00 N ATOM 1277 CZ ARG A 89 -2.746 13.141 -3.064 1.00 0.00 C ATOM 1278 NH1 ARG A 89 -3.217 12.001 -3.552 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -2.546 14.172 -3.875 1.00 0.00 N ATOM 0 H ARG A 89 -3.539 12.688 3.070 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.938 10.395 1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.371 11.771 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.543 10.681 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.272 13.136 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.572 13.329 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.002 11.340 -1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.686 11.791 -0.883 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.116 14.141 -1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.373 11.206 -2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.424 11.919 -4.547 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.184 15.050 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.754 14.086 -4.870 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.241 8.448 2.750 1.00 0.00 N ATOM 1294 CA LEU A 90 -2.891 7.274 3.543 1.00 0.00 C ATOM 1295 C LEU A 90 -1.923 6.373 2.783 1.00 0.00 C ATOM 1296 O LEU A 90 -1.601 6.628 1.622 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.151 6.491 3.914 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.051 7.129 4.972 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.122 6.149 5.423 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.226 7.605 6.158 1.00 0.00 C ATOM 0 H LEU A 90 -3.800 8.245 1.921 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.401 7.615 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.739 6.339 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.851 5.505 4.268 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.544 7.994 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.753 6.621 6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.733 5.859 4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.649 5.264 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.884 8.056 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.705 6.757 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.498 8.343 5.822 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.463 5.317 3.446 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.532 4.375 2.832 1.00 0.00 C ATOM 1314 C LEU A 91 -0.836 2.946 3.272 1.00 0.00 C ATOM 1315 O LEU A 91 -1.488 2.726 4.293 1.00 0.00 O ATOM 1316 CB LEU A 91 0.908 4.739 3.199 1.00 0.00 C ATOM 1317 CG LEU A 91 1.528 5.896 2.415 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.834 6.336 3.057 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.752 5.497 0.963 1.00 0.00 C ATOM 0 H LEU A 91 -1.719 5.092 4.407 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.651 4.436 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.940 4.987 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.532 3.856 3.059 1.00 0.00 H new ATOM 0 HG LEU A 91 0.835 6.737 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.261 7.160 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.645 6.663 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.534 5.501 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.194 6.333 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.425 4.640 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.798 5.232 0.507 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.357 1.980 2.496 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.574 0.573 2.807 1.00 0.00 C ATOM 1333 C ILE A 92 0.672 -0.254 2.512 1.00 0.00 C ATOM 1334 O ILE A 92 1.102 -0.359 1.364 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.759 -0.004 2.010 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -2.967 0.932 2.101 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -2.118 -1.391 2.522 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.244 0.324 1.566 1.00 0.00 C ATOM 0 H ILE A 92 0.184 2.146 1.647 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.801 0.517 3.872 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.466 -0.089 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.118 1.217 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.750 1.846 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.957 -1.785 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.260 -2.053 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.395 -1.330 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.058 1.043 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.111 0.065 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.485 -0.575 2.134 1.00 0.00 H new ATOM 1350 N GLU A 93 1.247 -0.842 3.557 1.00 0.00 N ATOM 1351 CA GLU A 93 2.445 -1.661 3.409 1.00 0.00 C ATOM 1352 C GLU A 93 2.241 -3.039 4.032 1.00 0.00 C ATOM 1353 O GLU A 93 1.472 -3.197 4.980 1.00 0.00 O ATOM 1354 CB GLU A 93 3.646 -0.969 4.056 1.00 0.00 C ATOM 1355 CG GLU A 93 4.049 0.324 3.365 1.00 0.00 C ATOM 1356 CD GLU A 93 2.869 1.244 3.117 1.00 0.00 C ATOM 1357 OE1 GLU A 93 2.050 1.421 4.044 1.00 0.00 O ATOM 1358 OE2 GLU A 93 2.765 1.788 1.998 1.00 0.00 O ATOM 0 H GLU A 93 0.903 -0.767 4.514 1.00 0.00 H new ATOM 0 HA GLU A 93 2.639 -1.788 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.413 -0.756 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.495 -1.653 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.788 0.843 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.529 0.090 2.415 1.00 0.00 H new ATOM 1365 N LYS A 94 2.936 -4.034 3.491 1.00 0.00 N ATOM 1366 CA LYS A 94 2.834 -5.400 3.993 1.00 0.00 C ATOM 1367 C LYS A 94 3.149 -5.456 5.484 1.00 0.00 C ATOM 1368 O LYS A 94 4.102 -4.834 5.952 1.00 0.00 O ATOM 1369 CB LYS A 94 3.787 -6.319 3.225 1.00 0.00 C ATOM 1370 CG LYS A 94 3.862 -7.726 3.791 1.00 0.00 C ATOM 1371 CD LYS A 94 2.509 -8.417 3.750 1.00 0.00 C ATOM 1372 CE LYS A 94 2.657 -9.922 3.589 1.00 0.00 C ATOM 1373 NZ LYS A 94 2.695 -10.326 2.156 1.00 0.00 N ATOM 0 H LYS A 94 3.576 -3.920 2.705 1.00 0.00 H new ATOM 0 HA LYS A 94 1.810 -5.741 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.468 -6.372 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.785 -5.880 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.587 -8.309 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.220 -7.687 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.961 -8.200 4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.920 -8.018 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.571 -10.252 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.827 -10.424 4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.524 -11.349 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.960 -9.812 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.628 -10.100 1.756 1.00 0.00 H new ATOM 1387 N PHE A 95 2.342 -6.208 6.226 1.00 0.00 N ATOM 1388 CA PHE A 95 2.535 -6.346 7.665 1.00 0.00 C ATOM 1389 C PHE A 95 3.056 -7.738 8.012 1.00 0.00 C ATOM 1390 O PHE A 95 2.402 -8.744 7.737 1.00 0.00 O ATOM 1391 CB PHE A 95 1.221 -6.082 8.404 1.00 0.00 C ATOM 1392 CG PHE A 95 1.380 -5.999 9.896 1.00 0.00 C ATOM 1393 CD1 PHE A 95 2.205 -5.044 10.466 1.00 0.00 C ATOM 1394 CD2 PHE A 95 0.703 -6.877 10.727 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.353 -4.964 11.838 1.00 0.00 C ATOM 1396 CE2 PHE A 95 0.846 -6.802 12.100 1.00 0.00 C ATOM 1397 CZ PHE A 95 1.673 -5.846 12.656 1.00 0.00 C ATOM 0 H PHE A 95 1.549 -6.731 5.855 1.00 0.00 H new ATOM 0 HA PHE A 95 3.275 -5.611 7.980 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.789 -5.150 8.040 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.513 -6.876 8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.739 -4.353 9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.057 -7.628 10.297 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.999 -4.214 12.270 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.311 -7.491 12.737 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.788 -5.788 13.728 1.00 0.00 H new ATOM 1407 N ILE A 96 4.238 -7.786 8.618 1.00 0.00 N ATOM 1408 CA ILE A 96 4.847 -9.053 9.003 1.00 0.00 C ATOM 1409 C ILE A 96 5.129 -9.094 10.502 1.00 0.00 C ATOM 1410 O ILE A 96 6.105 -8.512 10.976 1.00 0.00 O ATOM 1411 CB ILE A 96 6.160 -9.302 8.238 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.947 -9.101 6.737 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.681 -10.703 8.522 1.00 0.00 C ATOM 1414 CD1 ILE A 96 5.494 -10.352 6.018 1.00 0.00 C ATOM 0 H ILE A 96 4.792 -6.963 8.853 1.00 0.00 H new ATOM 0 HA ILE A 96 4.134 -9.837 8.748 1.00 0.00 H new ATOM 0 HB ILE A 96 6.904 -8.583 8.580 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.206 -8.316 6.585 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.878 -8.752 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.609 -10.864 7.974 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.866 -10.813 9.591 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.941 -11.438 8.205 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.363 -10.135 4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.245 -11.133 6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.547 -10.691 6.439 1.00 0.00 H new ATOM 1426 N ASP A 97 4.269 -9.786 11.241 1.00 0.00 N ATOM 1427 CA ASP A 97 4.427 -9.906 12.686 1.00 0.00 C ATOM 1428 C ASP A 97 5.541 -10.890 13.031 1.00 0.00 C ATOM 1429 O ASP A 97 6.312 -10.666 13.962 1.00 0.00 O ATOM 1430 CB ASP A 97 3.114 -10.357 13.328 1.00 0.00 C ATOM 1431 CG ASP A 97 3.327 -11.035 14.667 1.00 0.00 C ATOM 1432 OD1 ASP A 97 3.402 -10.320 15.689 1.00 0.00 O ATOM 1433 OD2 ASP A 97 3.419 -12.279 14.694 1.00 0.00 O ATOM 0 H ASP A 97 3.456 -10.272 10.864 1.00 0.00 H new ATOM 0 HA ASP A 97 4.697 -8.926 13.080 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.463 -9.493 13.461 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.600 -11.043 12.654 1.00 0.00 H new ATOM 1438 N ASN A 98 5.617 -11.979 12.273 1.00 0.00 N ATOM 1439 CA ASN A 98 6.635 -12.998 12.500 1.00 0.00 C ATOM 1440 C ASN A 98 8.007 -12.505 12.052 1.00 0.00 C ATOM 1441 O ASN A 98 8.133 -11.686 11.142 1.00 0.00 O ATOM 1442 CB ASN A 98 6.274 -14.285 11.755 1.00 0.00 C ATOM 1443 CG ASN A 98 4.856 -14.739 12.039 1.00 0.00 C ATOM 1444 OD1 ASN A 98 4.361 -14.605 13.158 1.00 0.00 O ATOM 1445 ND2 ASN A 98 4.193 -15.281 11.023 1.00 0.00 N ATOM 0 H ASN A 98 4.986 -12.178 11.497 1.00 0.00 H new ATOM 0 HA ASN A 98 6.674 -13.205 13.569 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.394 -14.127 10.683 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.969 -15.074 12.041 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.235 -15.605 11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.642 -15.373 10.112 1.00 0.00 H new ATOM 1452 N PRO A 99 9.062 -13.015 12.706 1.00 0.00 N ATOM 1453 CA PRO A 99 10.444 -12.642 12.391 1.00 0.00 C ATOM 1454 C PRO A 99 10.897 -13.182 11.039 1.00 0.00 C ATOM 1455 O PRO A 99 12.026 -12.942 10.610 1.00 0.00 O ATOM 1456 CB PRO A 99 11.251 -13.286 13.521 1.00 0.00 C ATOM 1457 CG PRO A 99 10.414 -14.430 13.980 1.00 0.00 C ATOM 1458 CD PRO A 99 8.986 -13.996 13.801 1.00 0.00 C ATOM 0 HA PRO A 99 10.568 -11.561 12.321 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.225 -13.625 13.168 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.433 -12.579 14.330 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.625 -15.327 13.397 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.621 -14.671 15.023 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.340 -14.836 13.544 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.584 -13.552 14.711 1.00 0.00 H new ATOM 1466 N ARG A 100 10.009 -13.912 10.371 1.00 0.00 N ATOM 1467 CA ARG A 100 10.319 -14.486 9.067 1.00 0.00 C ATOM 1468 C ARG A 100 10.593 -13.390 8.041 1.00 0.00 C ATOM 1469 O ARG A 100 9.761 -12.510 7.821 1.00 0.00 O ATOM 1470 CB ARG A 100 9.165 -15.370 8.589 1.00 0.00 C ATOM 1471 CG ARG A 100 9.259 -16.808 9.073 1.00 0.00 C ATOM 1472 CD ARG A 100 7.978 -17.576 8.789 1.00 0.00 C ATOM 1473 NE ARG A 100 8.129 -19.006 9.043 1.00 0.00 N ATOM 1474 CZ ARG A 100 7.286 -19.927 8.588 1.00 0.00 C ATOM 1475 NH1 ARG A 100 6.238 -19.569 7.860 1.00 0.00 N ATOM 1476 NH2 ARG A 100 7.491 -21.209 8.862 1.00 0.00 N ATOM 0 H ARG A 100 9.070 -14.120 10.711 1.00 0.00 H new ATOM 0 HA ARG A 100 11.217 -15.095 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.224 -14.941 8.932 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.140 -15.363 7.499 1.00 0.00 H new ATOM 0 HG2 ARG A 100 10.098 -17.304 8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 100 9.462 -16.820 10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.173 -17.181 9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.685 -17.421 7.750 1.00 0.00 H new ATOM 0 HE ARG A 100 8.925 -19.315 9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.077 -18.584 7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 100 5.593 -20.278 7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.296 -21.488 9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.843 -21.915 8.512 1.00 0.00 H new ATOM 1490 N HIS A 101 11.765 -13.450 7.418 1.00 0.00 N ATOM 1491 CA HIS A 101 12.149 -12.463 6.415 1.00 0.00 C ATOM 1492 C HIS A 101 11.655 -12.874 5.031 1.00 0.00 C ATOM 1493 O HIS A 101 12.439 -12.971 4.086 1.00 0.00 O ATOM 1494 CB HIS A 101 13.668 -12.288 6.396 1.00 0.00 C ATOM 1495 CG HIS A 101 14.394 -13.431 5.757 1.00 0.00 C ATOM 1496 ND1 HIS A 101 15.444 -13.258 4.880 1.00 0.00 N ATOM 1497 CD2 HIS A 101 14.218 -14.768 5.872 1.00 0.00 C ATOM 1498 CE1 HIS A 101 15.882 -14.439 4.482 1.00 0.00 C ATOM 1499 NE2 HIS A 101 15.155 -15.372 5.070 1.00 0.00 N ATOM 0 H HIS A 101 12.465 -14.171 7.590 1.00 0.00 H new ATOM 0 HA HIS A 101 11.685 -11.513 6.680 1.00 0.00 H new ATOM 0 HB2 HIS A 101 13.913 -11.369 5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 101 14.025 -12.168 7.419 1.00 0.00 H new ATOM 0 HD2 HIS A 101 13.479 -15.267 6.481 1.00 0.00 H new ATOM 0 HE1 HIS A 101 16.696 -14.612 3.793 1.00 0.00 H new ATOM 0 HE2 HIS A 101 15.271 -16.378 4.948 1.00 0.00 H new ATOM 1508 N ILE A 102 10.353 -13.115 4.920 1.00 0.00 N ATOM 1509 CA ILE A 102 9.756 -13.515 3.652 1.00 0.00 C ATOM 1510 C ILE A 102 10.205 -12.598 2.519 1.00 0.00 C ATOM 1511 O ILE A 102 10.520 -13.058 1.422 1.00 0.00 O ATOM 1512 CB ILE A 102 8.218 -13.506 3.726 1.00 0.00 C ATOM 1513 CG1 ILE A 102 7.619 -13.918 2.380 1.00 0.00 C ATOM 1514 CG2 ILE A 102 7.716 -12.129 4.136 1.00 0.00 C ATOM 1515 CD1 ILE A 102 8.038 -15.299 1.929 1.00 0.00 C ATOM 0 H ILE A 102 9.692 -13.040 5.693 1.00 0.00 H new ATOM 0 HA ILE A 102 10.096 -14.531 3.450 1.00 0.00 H new ATOM 0 HB ILE A 102 7.900 -14.227 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.532 -13.882 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.915 -13.192 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.627 -12.138 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.120 -11.871 5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.041 -11.390 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.576 -15.524 0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.123 -15.335 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.718 -16.035 2.666 1.00 0.00 H new ATOM 1527 N SER A 103 10.234 -11.298 2.794 1.00 0.00 N ATOM 1528 CA SER A 103 10.643 -10.315 1.798 1.00 0.00 C ATOM 1529 C SER A 103 12.076 -9.853 2.046 1.00 0.00 C ATOM 1530 O SER A 103 12.409 -9.381 3.132 1.00 0.00 O ATOM 1531 CB SER A 103 9.698 -9.112 1.819 1.00 0.00 C ATOM 1532 OG SER A 103 9.967 -8.271 2.927 1.00 0.00 O ATOM 0 H SER A 103 9.979 -10.901 3.698 1.00 0.00 H new ATOM 0 HA SER A 103 10.596 -10.788 0.817 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.805 -8.545 0.894 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.665 -9.458 1.863 1.00 0.00 H new ATOM 0 HG SER A 103 10.771 -8.587 3.390 1.00 0.00 H new ATOM 1538 N GLY A 104 12.921 -9.994 1.029 1.00 0.00 N ATOM 1539 CA GLY A 104 14.309 -9.588 1.156 1.00 0.00 C ATOM 1540 C GLY A 104 14.759 -8.698 0.014 1.00 0.00 C ATOM 1541 O GLY A 104 13.952 -8.041 -0.644 1.00 0.00 O ATOM 0 H GLY A 104 12.669 -10.382 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 104 14.445 -9.060 2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 104 14.942 -10.475 1.193 1.00 0.00 H new ATOM 1545 N PRO A 105 16.077 -8.667 -0.233 1.00 0.00 N ATOM 1546 CA PRO A 105 16.663 -7.854 -1.303 1.00 0.00 C ATOM 1547 C PRO A 105 16.315 -8.382 -2.690 1.00 0.00 C ATOM 1548 O PRO A 105 15.855 -9.515 -2.836 1.00 0.00 O ATOM 1549 CB PRO A 105 18.168 -7.966 -1.049 1.00 0.00 C ATOM 1550 CG PRO A 105 18.335 -9.257 -0.324 1.00 0.00 C ATOM 1551 CD PRO A 105 17.096 -9.425 0.511 1.00 0.00 C ATOM 0 HA PRO A 105 16.289 -6.830 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 105 18.729 -7.962 -1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 105 18.533 -7.128 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 105 18.450 -10.085 -1.023 1.00 0.00 H new ATOM 0 HG3 PRO A 105 19.228 -9.241 0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 105 16.820 -10.475 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 105 17.234 -9.031 1.518 1.00 0.00 H new ATOM 1559 N SER A 106 16.539 -7.556 -3.706 1.00 0.00 N ATOM 1560 CA SER A 106 16.246 -7.939 -5.082 1.00 0.00 C ATOM 1561 C SER A 106 17.530 -8.070 -5.895 1.00 0.00 C ATOM 1562 O SER A 106 18.226 -7.085 -6.140 1.00 0.00 O ATOM 1563 CB SER A 106 15.319 -6.911 -5.734 1.00 0.00 C ATOM 1564 OG SER A 106 14.827 -7.383 -6.977 1.00 0.00 O ATOM 0 H SER A 106 16.923 -6.617 -3.602 1.00 0.00 H new ATOM 0 HA SER A 106 15.747 -8.908 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.484 -6.695 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.857 -5.975 -5.884 1.00 0.00 H new ATOM 0 HG SER A 106 14.236 -6.709 -7.372 1.00 0.00 H new ATOM 1570 N SER A 107 17.837 -9.295 -6.311 1.00 0.00 N ATOM 1571 CA SER A 107 19.040 -9.557 -7.093 1.00 0.00 C ATOM 1572 C SER A 107 20.276 -8.999 -6.393 1.00 0.00 C ATOM 1573 O SER A 107 21.127 -8.370 -7.020 1.00 0.00 O ATOM 1574 CB SER A 107 18.910 -8.944 -8.489 1.00 0.00 C ATOM 1575 OG SER A 107 19.642 -9.691 -9.444 1.00 0.00 O ATOM 0 H SER A 107 17.270 -10.121 -6.120 1.00 0.00 H new ATOM 0 HA SER A 107 19.154 -10.637 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 107 17.860 -8.909 -8.778 1.00 0.00 H new ATOM 0 HB3 SER A 107 19.271 -7.916 -8.473 1.00 0.00 H new ATOM 0 HG SER A 107 19.541 -9.280 -10.328 1.00 0.00 H new ATOM 1581 N GLY A 108 20.366 -9.235 -5.088 1.00 0.00 N ATOM 1582 CA GLY A 108 21.500 -8.750 -4.323 1.00 0.00 C ATOM 1583 C GLY A 108 22.109 -9.825 -3.444 1.00 0.00 C ATOM 1584 O GLY A 108 23.317 -9.831 -3.207 1.00 0.00 O ATOM 0 H GLY A 108 19.674 -9.753 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 108 22.260 -8.370 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 108 21.183 -7.913 -3.701 1.00 0.00 H new TER 1588 GLY A 108