USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 41 THR OG1 : rot -48:sc= 0.466 USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0.42 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.738 K(o=-0.74,f=-2.3!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -160:sc= -0.254 (180deg=-1.89!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 59 SER OG : rot 58:sc= 0.682 USER MOD Single : A 63 ASN : amide:sc=-0.00358 K(o=-0.0036,f=-1.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 142:sc= -3.35! (180deg=-7.52!) USER MOD Single : A 74 ASN : amide:sc=-0.00693 K(o=-0.0069,f=-1.4!) USER MOD Single : A 75 CYS SG : rot 180:sc= -2.16 USER MOD Single : A 80 TYR OH : rot -19:sc= -5.62! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 153:sc= -0.243 (180deg=-1.24!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 94 ASN : amide:sc= 0.382 K(o=0.38,f=-4.5!) USER MOD Single : A 96 THR OG1 : rot -91:sc= 1.12 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 100 SER OG : rot 66:sc= 1.16 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -3.45! K(o=-3.4!,f=-2.1) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0.776 K(o=0.78,f=-0.004) USER MOD Single : A 113 MET CE :methyl -147:sc= -0.292 (180deg=-1.68!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 -48.656 -1.452 5.644 1.00 0.00 N ATOM 2 CA ALA A 35 -47.519 -1.050 6.520 1.00 0.00 C ATOM 3 C ALA A 35 -47.847 0.279 7.203 1.00 0.00 C ATOM 4 O ALA A 35 -48.510 1.129 6.642 1.00 0.00 O ATOM 5 CB ALA A 35 -46.255 -0.891 5.674 1.00 0.00 C ATOM 0 HA ALA A 35 -47.355 -1.817 7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -45.423 -0.597 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -46.021 -1.838 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -46.418 -0.124 4.916 1.00 0.00 H new ATOM 11 N PRO A 36 -47.372 0.456 8.444 1.00 0.00 N ATOM 12 CA PRO A 36 -47.610 1.682 9.220 1.00 0.00 C ATOM 13 C PRO A 36 -46.860 2.882 8.634 1.00 0.00 C ATOM 14 O PRO A 36 -47.196 4.021 8.892 1.00 0.00 O ATOM 15 CB PRO A 36 -47.056 1.342 10.603 1.00 0.00 C ATOM 16 CG PRO A 36 -46.043 0.277 10.351 1.00 0.00 C ATOM 17 CD PRO A 36 -46.562 -0.523 9.190 1.00 0.00 C ATOM 0 HA PRO A 36 -48.663 1.965 9.226 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -46.605 2.215 11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -47.843 0.991 11.270 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -45.070 0.711 10.122 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -45.912 -0.353 11.231 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -45.751 -0.922 8.581 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -47.160 -1.372 9.521 1.00 0.00 H new ATOM 25 N ARG A 37 -45.847 2.638 7.848 1.00 0.00 N ATOM 26 CA ARG A 37 -45.080 3.768 7.250 1.00 0.00 C ATOM 27 C ARG A 37 -45.139 3.674 5.724 1.00 0.00 C ATOM 28 O ARG A 37 -45.252 2.602 5.162 1.00 0.00 O ATOM 29 CB ARG A 37 -43.623 3.694 7.710 1.00 0.00 C ATOM 30 CG ARG A 37 -43.559 3.860 9.229 1.00 0.00 C ATOM 31 CD ARG A 37 -42.098 3.873 9.680 1.00 0.00 C ATOM 32 NE ARG A 37 -42.034 3.813 11.168 1.00 0.00 N ATOM 33 CZ ARG A 37 -41.136 4.509 11.810 1.00 0.00 C ATOM 34 NH1 ARG A 37 -39.902 4.530 11.386 1.00 0.00 N ATOM 35 NH2 ARG A 37 -41.472 5.181 12.877 1.00 0.00 N ATOM 0 H ARG A 37 -45.518 1.707 7.594 1.00 0.00 H new ATOM 0 HA ARG A 37 -45.515 4.714 7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -43.187 2.738 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -43.037 4.473 7.223 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -44.050 4.787 9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -44.094 3.046 9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -41.566 3.025 9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -41.604 4.776 9.321 1.00 0.00 H new ATOM 0 HE ARG A 37 -42.692 3.228 11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -39.640 4.003 10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -39.200 5.074 11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -42.436 5.162 13.209 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -40.770 5.725 13.379 1.00 0.00 H new ATOM 49 N LYS A 38 -45.060 4.788 5.049 1.00 0.00 N ATOM 50 CA LYS A 38 -45.109 4.762 3.560 1.00 0.00 C ATOM 51 C LYS A 38 -43.995 3.857 3.031 1.00 0.00 C ATOM 52 O LYS A 38 -44.139 3.209 2.012 1.00 0.00 O ATOM 53 CB LYS A 38 -44.913 6.179 3.018 1.00 0.00 C ATOM 54 CG LYS A 38 -46.115 7.043 3.404 1.00 0.00 C ATOM 55 CD LYS A 38 -46.009 8.402 2.712 1.00 0.00 C ATOM 56 CE LYS A 38 -47.128 9.318 3.212 1.00 0.00 C ATOM 57 NZ LYS A 38 -47.967 9.754 2.060 1.00 0.00 N ATOM 0 H LYS A 38 -44.964 5.715 5.464 1.00 0.00 H new ATOM 0 HA LYS A 38 -46.076 4.379 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -43.997 6.611 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -44.803 6.153 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -47.041 6.547 3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -46.149 7.175 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -45.038 8.852 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -46.081 8.278 1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -47.742 8.793 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -46.704 10.187 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -48.727 10.377 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -47.377 10.270 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -48.383 8.920 1.598 1.00 0.00 H new ATOM 71 N GLY A 39 -42.885 3.806 3.715 1.00 0.00 N ATOM 72 CA GLY A 39 -41.761 2.945 3.251 1.00 0.00 C ATOM 73 C GLY A 39 -40.488 3.785 3.140 1.00 0.00 C ATOM 74 O GLY A 39 -40.247 4.672 3.935 1.00 0.00 O ATOM 0 H GLY A 39 -42.708 4.324 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -41.607 2.122 3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -42.003 2.502 2.285 1.00 0.00 H new ATOM 78 N ASN A 40 -39.670 3.514 2.160 1.00 0.00 N ATOM 79 CA ASN A 40 -38.412 4.297 2.000 1.00 0.00 C ATOM 80 C ASN A 40 -38.034 4.355 0.518 1.00 0.00 C ATOM 81 O ASN A 40 -37.279 3.539 0.028 1.00 0.00 O ATOM 82 CB ASN A 40 -37.288 3.625 2.789 1.00 0.00 C ATOM 83 CG ASN A 40 -36.141 4.619 2.986 1.00 0.00 C ATOM 84 OD1 ASN A 40 -36.340 5.815 2.929 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.938 4.168 3.218 1.00 0.00 N ATOM 0 H ASN A 40 -39.818 2.784 1.463 1.00 0.00 H new ATOM 0 HA ASN A 40 -38.563 5.309 2.376 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.660 3.286 3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.932 2.743 2.257 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -34.166 4.821 3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.771 3.163 3.266 1.00 0.00 H new ATOM 92 N THR A 41 -38.556 5.312 -0.199 1.00 0.00 N ATOM 93 CA THR A 41 -38.229 5.421 -1.649 1.00 0.00 C ATOM 94 C THR A 41 -36.848 6.061 -1.818 1.00 0.00 C ATOM 95 O THR A 41 -36.524 7.040 -1.178 1.00 0.00 O ATOM 96 CB THR A 41 -39.282 6.288 -2.344 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.548 5.646 -2.264 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.899 6.484 -3.811 1.00 0.00 C ATOM 0 H THR A 41 -39.195 6.023 0.157 1.00 0.00 H new ATOM 0 HA THR A 41 -38.223 4.426 -2.095 1.00 0.00 H new ATOM 0 HB THR A 41 -39.334 7.260 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.455 4.706 -2.523 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.650 7.101 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.928 6.976 -3.871 1.00 0.00 H new ATOM 0 HG23 THR A 41 -38.845 5.514 -4.306 1.00 0.00 H new ATOM 106 N LEU A 42 -36.033 5.514 -2.679 1.00 0.00 N ATOM 107 CA LEU A 42 -34.674 6.089 -2.893 1.00 0.00 C ATOM 108 C LEU A 42 -34.618 6.763 -4.266 1.00 0.00 C ATOM 109 O LEU A 42 -35.298 6.365 -5.191 1.00 0.00 O ATOM 110 CB LEU A 42 -33.631 4.970 -2.837 1.00 0.00 C ATOM 111 CG LEU A 42 -33.789 4.188 -1.530 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.758 3.058 -1.486 1.00 0.00 C ATOM 113 CD2 LEU A 42 -33.566 5.129 -0.344 1.00 0.00 C ATOM 0 H LEU A 42 -36.250 4.693 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.464 6.823 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.753 4.302 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.627 5.390 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.793 3.767 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -32.869 2.500 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.916 2.389 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.754 3.479 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -33.678 4.574 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.562 5.550 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -34.299 5.935 -0.376 1.00 0.00 H new ATOM 125 N TYR A 43 -33.815 7.782 -4.407 1.00 0.00 N ATOM 126 CA TYR A 43 -33.719 8.477 -5.721 1.00 0.00 C ATOM 127 C TYR A 43 -32.539 7.907 -6.513 1.00 0.00 C ATOM 128 O TYR A 43 -31.407 7.954 -6.077 1.00 0.00 O ATOM 129 CB TYR A 43 -33.505 9.975 -5.496 1.00 0.00 C ATOM 130 CG TYR A 43 -33.421 10.676 -6.830 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.589 11.111 -7.469 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.175 10.892 -7.430 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.512 11.760 -8.706 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.096 11.543 -8.668 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.265 11.976 -9.305 1.00 0.00 C ATOM 136 OH TYR A 43 -33.188 12.617 -10.526 1.00 0.00 O ATOM 0 H TYR A 43 -33.222 8.163 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.642 8.324 -6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.325 10.386 -4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.590 10.141 -4.927 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.551 10.945 -7.006 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.274 10.557 -6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.413 12.094 -9.198 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.134 11.711 -9.130 1.00 0.00 H new ATOM 0 HH TYR A 43 -32.250 12.687 -10.800 1.00 0.00 H new ATOM 146 N VAL A 44 -32.795 7.370 -7.674 1.00 0.00 N ATOM 147 CA VAL A 44 -31.689 6.799 -8.491 1.00 0.00 C ATOM 148 C VAL A 44 -31.633 7.515 -9.843 1.00 0.00 C ATOM 149 O VAL A 44 -32.646 7.758 -10.469 1.00 0.00 O ATOM 150 CB VAL A 44 -31.936 5.306 -8.714 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.773 4.709 -9.508 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.046 4.600 -7.362 1.00 0.00 C ATOM 0 H VAL A 44 -33.723 7.302 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.743 6.935 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 44 -32.863 5.171 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -30.949 3.645 -9.667 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.695 5.212 -10.472 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -29.845 4.844 -8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.222 3.536 -7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.119 4.735 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -32.875 5.025 -6.796 1.00 0.00 H new ATOM 162 N TYR A 45 -30.458 7.857 -10.297 1.00 0.00 N ATOM 163 CA TYR A 45 -30.342 8.557 -11.607 1.00 0.00 C ATOM 164 C TYR A 45 -29.435 7.753 -12.540 1.00 0.00 C ATOM 165 O TYR A 45 -28.499 7.108 -12.108 1.00 0.00 O ATOM 166 CB TYR A 45 -29.743 9.948 -11.387 1.00 0.00 C ATOM 167 CG TYR A 45 -29.711 10.695 -12.699 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.871 11.311 -13.183 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.520 10.774 -13.431 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.840 12.005 -14.399 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.489 11.466 -14.646 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.649 12.083 -15.131 1.00 0.00 C ATOM 173 OH TYR A 45 -29.618 12.766 -16.328 1.00 0.00 O ATOM 0 H TYR A 45 -29.575 7.682 -9.818 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.330 8.651 -12.057 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.335 10.499 -10.657 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.735 9.862 -10.981 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.790 11.251 -12.619 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.624 10.300 -13.057 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.735 12.480 -14.772 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.570 11.525 -15.210 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.715 12.724 -16.705 1.00 0.00 H new ATOM 183 N GLY A 46 -29.703 7.787 -13.817 1.00 0.00 N ATOM 184 CA GLY A 46 -28.855 7.025 -14.777 1.00 0.00 C ATOM 185 C GLY A 46 -29.455 7.133 -16.181 1.00 0.00 C ATOM 186 O GLY A 46 -30.499 7.722 -16.377 1.00 0.00 O ATOM 0 H GLY A 46 -30.472 8.309 -14.237 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.838 7.418 -14.773 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.794 5.979 -14.475 1.00 0.00 H new ATOM 190 N GLU A 47 -28.805 6.566 -17.160 1.00 0.00 N ATOM 191 CA GLU A 47 -29.340 6.637 -18.549 1.00 0.00 C ATOM 192 C GLU A 47 -29.557 5.221 -19.087 1.00 0.00 C ATOM 193 O GLU A 47 -28.896 4.285 -18.682 1.00 0.00 O ATOM 194 CB GLU A 47 -28.343 7.376 -19.444 1.00 0.00 C ATOM 195 CG GLU A 47 -28.116 8.786 -18.899 1.00 0.00 C ATOM 196 CD GLU A 47 -27.186 9.553 -19.842 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.638 8.931 -20.737 1.00 0.00 O ATOM 198 OE2 GLU A 47 -27.038 10.749 -19.654 1.00 0.00 O ATOM 0 H GLU A 47 -27.927 6.057 -17.058 1.00 0.00 H new ATOM 0 HA GLU A 47 -30.289 7.172 -18.544 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.399 6.833 -19.481 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.722 7.426 -20.465 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -29.068 9.309 -18.805 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.680 8.736 -17.901 1.00 0.00 H new ATOM 205 N ASP A 48 -30.478 5.057 -19.996 1.00 0.00 N ATOM 206 CA ASP A 48 -30.736 3.701 -20.559 1.00 0.00 C ATOM 207 C ASP A 48 -30.839 2.687 -19.417 1.00 0.00 C ATOM 208 O ASP A 48 -30.126 1.705 -19.382 1.00 0.00 O ATOM 209 CB ASP A 48 -29.586 3.307 -21.488 1.00 0.00 C ATOM 210 CG ASP A 48 -29.524 4.282 -22.665 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.491 4.998 -22.866 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.511 4.296 -23.343 1.00 0.00 O ATOM 0 H ASP A 48 -31.063 5.803 -20.373 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.670 3.712 -21.121 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.643 3.319 -20.942 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.731 2.290 -21.852 1.00 0.00 H new ATOM 217 N MET A 49 -31.719 2.919 -18.483 1.00 0.00 N ATOM 218 CA MET A 49 -31.864 1.968 -17.344 1.00 0.00 C ATOM 219 C MET A 49 -33.168 1.182 -17.495 1.00 0.00 C ATOM 220 O MET A 49 -34.171 1.705 -17.937 1.00 0.00 O ATOM 221 CB MET A 49 -31.890 2.751 -16.030 1.00 0.00 C ATOM 222 CG MET A 49 -30.517 3.381 -15.784 1.00 0.00 C ATOM 223 SD MET A 49 -30.481 4.121 -14.133 1.00 0.00 S ATOM 224 CE MET A 49 -31.924 5.194 -14.336 1.00 0.00 C ATOM 0 H MET A 49 -32.344 3.725 -18.459 1.00 0.00 H new ATOM 0 HA MET A 49 -31.023 1.275 -17.340 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.655 3.526 -16.071 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.151 2.089 -15.205 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.737 2.625 -15.873 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.313 4.140 -16.539 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.890 5.993 -13.595 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.918 5.626 -15.337 1.00 0.00 H new ATOM 0 HE3 MET A 49 -32.834 4.610 -14.199 1.00 0.00 H new ATOM 234 N THR A 50 -33.161 -0.072 -17.131 1.00 0.00 N ATOM 235 CA THR A 50 -34.401 -0.890 -17.252 1.00 0.00 C ATOM 236 C THR A 50 -34.821 -1.385 -15.866 1.00 0.00 C ATOM 237 O THR A 50 -34.056 -1.344 -14.923 1.00 0.00 O ATOM 238 CB THR A 50 -34.136 -2.087 -18.168 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.806 -2.545 -17.971 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.323 -1.665 -19.626 1.00 0.00 C ATOM 0 H THR A 50 -32.351 -0.565 -16.755 1.00 0.00 H new ATOM 0 HA THR A 50 -35.200 -0.282 -17.676 1.00 0.00 H new ATOM 0 HB THR A 50 -34.835 -2.889 -17.932 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.634 -3.313 -18.555 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.134 -2.517 -20.279 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.344 -1.313 -19.775 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.624 -0.863 -19.865 1.00 0.00 H new ATOM 248 N PRO A 51 -36.070 -1.860 -15.745 1.00 0.00 N ATOM 249 CA PRO A 51 -36.610 -2.363 -14.474 1.00 0.00 C ATOM 250 C PRO A 51 -35.966 -3.690 -14.058 1.00 0.00 C ATOM 251 O PRO A 51 -35.437 -3.817 -12.971 1.00 0.00 O ATOM 252 CB PRO A 51 -38.093 -2.572 -14.773 1.00 0.00 C ATOM 253 CG PRO A 51 -38.156 -2.777 -16.250 1.00 0.00 C ATOM 254 CD PRO A 51 -37.054 -1.943 -16.839 1.00 0.00 C ATOM 0 HA PRO A 51 -36.419 -1.674 -13.651 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.488 -3.435 -14.236 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.684 -1.709 -14.467 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -38.025 -3.829 -16.502 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.126 -2.474 -16.644 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.629 -2.408 -17.728 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.410 -0.956 -17.135 1.00 0.00 H new ATOM 262 N THR A 52 -36.008 -4.680 -14.907 1.00 0.00 N ATOM 263 CA THR A 52 -35.402 -5.992 -14.548 1.00 0.00 C ATOM 264 C THR A 52 -33.951 -5.781 -14.113 1.00 0.00 C ATOM 265 O THR A 52 -33.432 -6.497 -13.278 1.00 0.00 O ATOM 266 CB THR A 52 -35.440 -6.927 -15.760 1.00 0.00 C ATOM 267 OG1 THR A 52 -36.285 -6.372 -16.757 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.977 -8.294 -15.333 1.00 0.00 C ATOM 0 H THR A 52 -36.435 -4.637 -15.832 1.00 0.00 H new ATOM 0 HA THR A 52 -35.967 -6.439 -13.730 1.00 0.00 H new ATOM 0 HB THR A 52 -34.434 -7.045 -16.162 1.00 0.00 H new ATOM 0 HG1 THR A 52 -36.309 -6.968 -17.534 1.00 0.00 H new ATOM 0 HG21 THR A 52 -36.004 -8.960 -16.196 1.00 0.00 H new ATOM 0 HG22 THR A 52 -35.326 -8.718 -14.568 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.984 -8.180 -14.931 1.00 0.00 H new ATOM 276 N LEU A 53 -33.291 -4.805 -14.671 1.00 0.00 N ATOM 277 CA LEU A 53 -31.875 -4.549 -14.289 1.00 0.00 C ATOM 278 C LEU A 53 -31.826 -3.940 -12.887 1.00 0.00 C ATOM 279 O LEU A 53 -31.138 -4.427 -12.012 1.00 0.00 O ATOM 280 CB LEU A 53 -31.245 -3.578 -15.291 1.00 0.00 C ATOM 281 CG LEU A 53 -29.751 -3.440 -14.995 1.00 0.00 C ATOM 282 CD1 LEU A 53 -29.043 -4.758 -15.313 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.162 -2.323 -15.860 1.00 0.00 C ATOM 0 H LEU A 53 -33.672 -4.173 -15.376 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.321 -5.488 -14.295 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.393 -3.941 -16.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.731 -2.605 -15.226 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.610 -3.198 -13.942 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.978 -4.659 -15.102 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.463 -5.554 -14.698 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.183 -5.001 -16.366 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.097 -2.223 -15.650 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.303 -2.566 -16.913 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.666 -1.383 -15.634 1.00 0.00 H new ATOM 295 N LEU A 54 -32.549 -2.876 -12.665 1.00 0.00 N ATOM 296 CA LEU A 54 -32.542 -2.238 -11.318 1.00 0.00 C ATOM 297 C LEU A 54 -32.971 -3.259 -10.263 1.00 0.00 C ATOM 298 O LEU A 54 -32.337 -3.412 -9.238 1.00 0.00 O ATOM 299 CB LEU A 54 -33.516 -1.057 -11.308 1.00 0.00 C ATOM 300 CG LEU A 54 -32.993 0.046 -12.229 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.153 0.617 -13.050 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.369 1.160 -11.387 1.00 0.00 C ATOM 0 H LEU A 54 -33.144 -2.421 -13.358 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.536 -1.884 -11.092 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.502 -1.383 -11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.629 -0.675 -10.294 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.240 -0.367 -12.900 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.781 1.403 -13.707 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.599 -0.176 -13.650 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.905 1.031 -12.378 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -31.996 1.946 -12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.122 1.574 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.544 0.755 -10.801 1.00 0.00 H new ATOM 314 N ARG A 55 -34.047 -3.957 -10.504 1.00 0.00 N ATOM 315 CA ARG A 55 -34.521 -4.965 -9.515 1.00 0.00 C ATOM 316 C ARG A 55 -33.386 -5.934 -9.180 1.00 0.00 C ATOM 317 O ARG A 55 -33.160 -6.269 -8.035 1.00 0.00 O ATOM 318 CB ARG A 55 -35.696 -5.746 -10.106 1.00 0.00 C ATOM 319 CG ARG A 55 -36.925 -4.839 -10.182 1.00 0.00 C ATOM 320 CD ARG A 55 -38.131 -5.653 -10.650 1.00 0.00 C ATOM 321 NE ARG A 55 -39.257 -4.731 -10.973 1.00 0.00 N ATOM 322 CZ ARG A 55 -40.489 -5.106 -10.762 1.00 0.00 C ATOM 323 NH1 ARG A 55 -41.187 -5.629 -11.731 1.00 0.00 N ATOM 324 NH2 ARG A 55 -41.022 -4.958 -9.580 1.00 0.00 N ATOM 0 H ARG A 55 -34.619 -3.872 -11.344 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.840 -4.454 -8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -35.440 -6.113 -11.100 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.913 -6.619 -9.490 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -37.127 -4.399 -9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.740 -4.015 -10.871 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.867 -6.243 -11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -38.433 -6.355 -9.873 1.00 0.00 H new ATOM 0 HE ARG A 55 -39.064 -3.807 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -40.770 -5.745 -12.655 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -42.150 -5.922 -11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -40.476 -4.549 -8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -41.985 -5.251 -9.414 1.00 0.00 H new ATOM 338 N GLY A 56 -32.671 -6.393 -10.171 1.00 0.00 N ATOM 339 CA GLY A 56 -31.555 -7.346 -9.907 1.00 0.00 C ATOM 340 C GLY A 56 -30.507 -6.681 -9.012 1.00 0.00 C ATOM 341 O GLY A 56 -29.856 -7.327 -8.217 1.00 0.00 O ATOM 0 H GLY A 56 -32.811 -6.150 -11.152 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.939 -8.246 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -31.099 -7.656 -10.847 1.00 0.00 H new ATOM 345 N ALA A 57 -30.335 -5.393 -9.138 1.00 0.00 N ATOM 346 CA ALA A 57 -29.326 -4.692 -8.296 1.00 0.00 C ATOM 347 C ALA A 57 -29.904 -4.429 -6.903 1.00 0.00 C ATOM 348 O ALA A 57 -29.267 -4.679 -5.899 1.00 0.00 O ATOM 349 CB ALA A 57 -28.953 -3.360 -8.951 1.00 0.00 C ATOM 0 H ALA A 57 -30.849 -4.797 -9.787 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.438 -5.318 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.215 -2.846 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.535 -3.546 -9.940 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -29.844 -2.738 -9.044 1.00 0.00 H new ATOM 355 N PHE A 58 -31.105 -3.922 -6.835 1.00 0.00 N ATOM 356 CA PHE A 58 -31.723 -3.637 -5.508 1.00 0.00 C ATOM 357 C PHE A 58 -32.323 -4.921 -4.934 1.00 0.00 C ATOM 358 O PHE A 58 -32.675 -4.988 -3.773 1.00 0.00 O ATOM 359 CB PHE A 58 -32.821 -2.586 -5.677 1.00 0.00 C ATOM 360 CG PHE A 58 -32.191 -1.251 -5.996 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.748 -0.979 -7.297 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.046 -0.287 -4.991 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.161 0.257 -7.592 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.460 0.949 -5.287 1.00 0.00 C ATOM 365 CZ PHE A 58 -31.017 1.222 -6.587 1.00 0.00 C ATOM 0 H PHE A 58 -31.686 -3.693 -7.642 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.962 -3.261 -4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.501 -2.880 -6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.413 -2.513 -4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.859 -1.723 -8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.386 -0.497 -3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.819 0.467 -8.595 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.349 1.693 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.565 2.176 -6.815 1.00 0.00 H new ATOM 375 N SER A 59 -32.442 -5.939 -5.738 1.00 0.00 N ATOM 376 CA SER A 59 -33.016 -7.221 -5.243 1.00 0.00 C ATOM 377 C SER A 59 -32.155 -7.772 -4.100 1.00 0.00 C ATOM 378 O SER A 59 -32.656 -8.101 -3.044 1.00 0.00 O ATOM 379 CB SER A 59 -33.055 -8.237 -6.385 1.00 0.00 C ATOM 380 OG SER A 59 -34.277 -8.105 -7.095 1.00 0.00 O ATOM 0 H SER A 59 -32.166 -5.939 -6.720 1.00 0.00 H new ATOM 0 HA SER A 59 -34.027 -7.042 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 59 -32.212 -8.077 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.959 -9.248 -5.990 1.00 0.00 H new ATOM 0 HG SER A 59 -34.358 -7.191 -7.439 1.00 0.00 H new ATOM 386 N PRO A 60 -30.832 -7.883 -4.320 1.00 0.00 N ATOM 387 CA PRO A 60 -29.910 -8.408 -3.304 1.00 0.00 C ATOM 388 C PRO A 60 -29.709 -7.430 -2.142 1.00 0.00 C ATOM 389 O PRO A 60 -29.374 -7.821 -1.042 1.00 0.00 O ATOM 390 CB PRO A 60 -28.599 -8.588 -4.069 1.00 0.00 C ATOM 391 CG PRO A 60 -28.681 -7.619 -5.198 1.00 0.00 C ATOM 392 CD PRO A 60 -30.136 -7.511 -5.566 1.00 0.00 C ATOM 0 HA PRO A 60 -30.287 -9.325 -2.851 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.738 -8.382 -3.433 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.490 -9.610 -4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.282 -6.648 -4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.091 -7.963 -6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.396 -6.502 -5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.394 -8.181 -6.386 1.00 0.00 H new ATOM 400 N PHE A 61 -29.910 -6.162 -2.375 1.00 0.00 N ATOM 401 CA PHE A 61 -29.725 -5.167 -1.280 1.00 0.00 C ATOM 402 C PHE A 61 -30.928 -5.210 -0.336 1.00 0.00 C ATOM 403 O PHE A 61 -30.880 -4.709 0.770 1.00 0.00 O ATOM 404 CB PHE A 61 -29.595 -3.766 -1.880 1.00 0.00 C ATOM 405 CG PHE A 61 -28.232 -3.618 -2.513 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.078 -3.797 -1.741 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.123 -3.303 -3.873 1.00 0.00 C ATOM 408 CE1 PHE A 61 -25.815 -3.661 -2.329 1.00 0.00 C ATOM 409 CE2 PHE A 61 -26.859 -3.167 -4.460 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.705 -3.347 -3.688 1.00 0.00 C ATOM 0 H PHE A 61 -30.194 -5.772 -3.274 1.00 0.00 H new ATOM 0 HA PHE A 61 -28.821 -5.409 -0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.374 -3.603 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -29.732 -3.012 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.162 -4.040 -0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.013 -3.165 -4.469 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -24.925 -3.799 -1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.774 -2.923 -5.509 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.730 -3.244 -4.141 1.00 0.00 H new ATOM 420 N GLY A 62 -32.009 -5.802 -0.762 1.00 0.00 N ATOM 421 CA GLY A 62 -33.212 -5.874 0.114 1.00 0.00 C ATOM 422 C GLY A 62 -34.452 -6.142 -0.741 1.00 0.00 C ATOM 423 O GLY A 62 -34.375 -6.244 -1.950 1.00 0.00 O ATOM 0 H GLY A 62 -32.112 -6.239 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.089 -6.665 0.853 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.331 -4.940 0.663 1.00 0.00 H new ATOM 427 N ASN A 63 -35.595 -6.254 -0.123 1.00 0.00 N ATOM 428 CA ASN A 63 -36.840 -6.512 -0.900 1.00 0.00 C ATOM 429 C ASN A 63 -37.522 -5.181 -1.222 1.00 0.00 C ATOM 430 O ASN A 63 -37.768 -4.372 -0.350 1.00 0.00 O ATOM 431 CB ASN A 63 -37.785 -7.384 -0.071 1.00 0.00 C ATOM 432 CG ASN A 63 -37.122 -8.736 0.202 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.176 -9.107 -0.463 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.582 -9.491 1.161 1.00 0.00 N ATOM 0 H ASN A 63 -35.721 -6.178 0.886 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.592 -7.027 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.024 -6.888 0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.725 -7.529 -0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.147 -10.394 1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.377 -9.179 1.719 1.00 0.00 H new ATOM 441 N ILE A 64 -37.829 -4.948 -2.468 1.00 0.00 N ATOM 442 CA ILE A 64 -38.492 -3.669 -2.844 1.00 0.00 C ATOM 443 C ILE A 64 -40.006 -3.879 -2.912 1.00 0.00 C ATOM 444 O ILE A 64 -40.500 -4.662 -3.700 1.00 0.00 O ATOM 445 CB ILE A 64 -37.977 -3.212 -4.210 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.452 -3.090 -4.165 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.587 -1.853 -4.557 1.00 0.00 C ATOM 448 CD1 ILE A 64 -35.904 -3.008 -5.590 1.00 0.00 C ATOM 0 H ILE A 64 -37.649 -5.588 -3.242 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.266 -2.908 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.261 -3.942 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.164 -2.202 -3.602 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.023 -3.948 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.220 -1.527 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.673 -1.939 -4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.303 -1.123 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -34.818 -2.921 -5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.180 -3.909 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.323 -2.136 -6.091 1.00 0.00 H new ATOM 460 N ILE A 65 -40.746 -3.184 -2.093 1.00 0.00 N ATOM 461 CA ILE A 65 -42.229 -3.342 -2.110 1.00 0.00 C ATOM 462 C ILE A 65 -42.804 -2.629 -3.334 1.00 0.00 C ATOM 463 O ILE A 65 -43.823 -3.017 -3.869 1.00 0.00 O ATOM 464 CB ILE A 65 -42.820 -2.731 -0.839 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.718 -1.206 -0.909 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.044 -3.236 0.380 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.412 -0.591 0.308 1.00 0.00 C ATOM 0 H ILE A 65 -40.389 -2.513 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.482 -4.401 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.867 -3.022 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.672 -0.902 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.180 -0.842 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.466 -2.800 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.116 -4.322 0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -40.997 -2.946 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.339 0.495 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.462 -0.884 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.930 -0.945 1.219 1.00 0.00 H new ATOM 479 N ASP A 66 -42.157 -1.589 -3.783 1.00 0.00 N ATOM 480 CA ASP A 66 -42.667 -0.852 -4.973 1.00 0.00 C ATOM 481 C ASP A 66 -41.487 -0.297 -5.773 1.00 0.00 C ATOM 482 O ASP A 66 -40.610 0.349 -5.235 1.00 0.00 O ATOM 483 CB ASP A 66 -43.560 0.302 -4.514 1.00 0.00 C ATOM 484 CG ASP A 66 -44.197 0.971 -5.733 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.014 0.463 -6.827 1.00 0.00 O ATOM 486 OD2 ASP A 66 -44.857 1.981 -5.553 1.00 0.00 O ATOM 0 H ASP A 66 -41.298 -1.218 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.245 -1.531 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.335 -0.069 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -42.973 1.029 -3.952 1.00 0.00 H new ATOM 491 N LEU A 67 -41.459 -0.543 -7.054 1.00 0.00 N ATOM 492 CA LEU A 67 -40.336 -0.028 -7.888 1.00 0.00 C ATOM 493 C LEU A 67 -40.886 0.934 -8.942 1.00 0.00 C ATOM 494 O LEU A 67 -41.765 0.592 -9.710 1.00 0.00 O ATOM 495 CB LEU A 67 -39.636 -1.199 -8.579 1.00 0.00 C ATOM 496 CG LEU A 67 -38.406 -0.686 -9.331 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.188 -1.536 -8.960 1.00 0.00 C ATOM 498 CD2 LEU A 67 -38.654 -0.779 -10.838 1.00 0.00 C ATOM 0 H LEU A 67 -42.165 -1.078 -7.559 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.622 0.498 -7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.340 -1.946 -7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.321 -1.689 -9.271 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.220 0.352 -9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.312 -1.170 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.011 -1.469 -7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.373 -2.575 -9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -37.778 -0.414 -11.374 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -38.841 -1.817 -11.113 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.520 -0.172 -11.102 1.00 0.00 H new ATOM 510 N SER A 68 -40.380 2.135 -8.987 1.00 0.00 N ATOM 511 CA SER A 68 -40.878 3.117 -9.991 1.00 0.00 C ATOM 512 C SER A 68 -39.718 3.575 -10.879 1.00 0.00 C ATOM 513 O SER A 68 -38.592 3.685 -10.438 1.00 0.00 O ATOM 514 CB SER A 68 -41.476 4.326 -9.268 1.00 0.00 C ATOM 515 OG SER A 68 -42.526 3.895 -8.415 1.00 0.00 O ATOM 0 H SER A 68 -39.643 2.479 -8.372 1.00 0.00 H new ATOM 0 HA SER A 68 -41.643 2.647 -10.609 1.00 0.00 H new ATOM 0 HB2 SER A 68 -40.706 4.833 -8.687 1.00 0.00 H new ATOM 0 HB3 SER A 68 -41.855 5.046 -9.993 1.00 0.00 H new ATOM 0 HG SER A 68 -42.908 4.668 -7.950 1.00 0.00 H new ATOM 521 N MET A 69 -39.987 3.843 -12.128 1.00 0.00 N ATOM 522 CA MET A 69 -38.902 4.294 -13.045 1.00 0.00 C ATOM 523 C MET A 69 -39.317 5.604 -13.717 1.00 0.00 C ATOM 524 O MET A 69 -40.479 5.833 -13.987 1.00 0.00 O ATOM 525 CB MET A 69 -38.660 3.225 -14.113 1.00 0.00 C ATOM 526 CG MET A 69 -38.156 1.942 -13.448 1.00 0.00 C ATOM 527 SD MET A 69 -37.599 0.781 -14.720 1.00 0.00 S ATOM 528 CE MET A 69 -36.112 1.686 -15.217 1.00 0.00 C ATOM 0 H MET A 69 -40.911 3.769 -12.553 1.00 0.00 H new ATOM 0 HA MET A 69 -37.986 4.452 -12.476 1.00 0.00 H new ATOM 0 HB2 MET A 69 -39.582 3.026 -14.659 1.00 0.00 H new ATOM 0 HB3 MET A 69 -37.930 3.581 -14.840 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.337 2.171 -12.766 1.00 0.00 H new ATOM 0 HG3 MET A 69 -38.951 1.492 -12.853 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.310 0.979 -15.428 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.324 2.272 -16.111 1.00 0.00 H new ATOM 0 HE3 MET A 69 -35.805 2.353 -14.411 1.00 0.00 H new ATOM 538 N ASP A 70 -38.378 6.469 -13.988 1.00 0.00 N ATOM 539 CA ASP A 70 -38.723 7.764 -14.641 1.00 0.00 C ATOM 540 C ASP A 70 -37.881 7.938 -15.907 1.00 0.00 C ATOM 541 O ASP A 70 -36.740 8.352 -15.849 1.00 0.00 O ATOM 542 CB ASP A 70 -38.436 8.916 -13.676 1.00 0.00 C ATOM 543 CG ASP A 70 -39.610 9.897 -13.687 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.730 9.447 -13.865 1.00 0.00 O ATOM 545 OD2 ASP A 70 -39.369 11.081 -13.515 1.00 0.00 O ATOM 0 H ASP A 70 -37.387 6.335 -13.786 1.00 0.00 H new ATOM 0 HA ASP A 70 -39.781 7.766 -14.905 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.281 8.530 -12.669 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -37.518 9.428 -13.967 1.00 0.00 H new ATOM 550 N PRO A 71 -38.459 7.614 -17.073 1.00 0.00 N ATOM 551 CA PRO A 71 -37.764 7.734 -18.354 1.00 0.00 C ATOM 552 C PRO A 71 -37.621 9.189 -18.847 1.00 0.00 C ATOM 553 O PRO A 71 -36.689 9.499 -19.564 1.00 0.00 O ATOM 554 CB PRO A 71 -38.635 6.927 -19.316 1.00 0.00 C ATOM 555 CG PRO A 71 -40.002 6.933 -18.714 1.00 0.00 C ATOM 556 CD PRO A 71 -39.835 7.103 -17.225 1.00 0.00 C ATOM 0 HA PRO A 71 -36.738 7.375 -18.275 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -38.641 7.375 -20.310 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.259 5.910 -19.427 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -40.601 7.744 -19.129 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -40.525 6.003 -18.938 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -40.567 7.802 -16.819 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -39.970 6.158 -16.698 1.00 0.00 H new ATOM 564 N PRO A 72 -38.541 10.107 -18.475 1.00 0.00 N ATOM 565 CA PRO A 72 -38.454 11.503 -18.917 1.00 0.00 C ATOM 566 C PRO A 72 -37.369 12.277 -18.162 1.00 0.00 C ATOM 567 O PRO A 72 -36.854 13.267 -18.640 1.00 0.00 O ATOM 568 CB PRO A 72 -39.826 12.079 -18.581 1.00 0.00 C ATOM 569 CG PRO A 72 -40.334 11.239 -17.460 1.00 0.00 C ATOM 570 CD PRO A 72 -39.719 9.874 -17.614 1.00 0.00 C ATOM 0 HA PRO A 72 -38.193 11.575 -19.973 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -39.753 13.126 -18.288 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -40.494 12.035 -19.441 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.065 11.676 -16.499 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.422 11.176 -17.488 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.432 9.455 -16.650 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.416 9.172 -18.072 1.00 0.00 H new ATOM 578 N ARG A 73 -37.021 11.833 -16.985 1.00 0.00 N ATOM 579 CA ARG A 73 -35.973 12.547 -16.201 1.00 0.00 C ATOM 580 C ARG A 73 -34.715 11.682 -16.111 1.00 0.00 C ATOM 581 O ARG A 73 -33.724 12.070 -15.526 1.00 0.00 O ATOM 582 CB ARG A 73 -36.497 12.832 -14.793 1.00 0.00 C ATOM 583 CG ARG A 73 -37.732 13.732 -14.879 1.00 0.00 C ATOM 584 CD ARG A 73 -38.205 14.087 -13.469 1.00 0.00 C ATOM 585 NE ARG A 73 -39.537 14.753 -13.545 1.00 0.00 N ATOM 586 CZ ARG A 73 -40.619 14.081 -13.264 1.00 0.00 C ATOM 587 NH1 ARG A 73 -41.240 14.286 -12.134 1.00 0.00 N ATOM 588 NH2 ARG A 73 -41.082 13.205 -14.113 1.00 0.00 N ATOM 0 H ARG A 73 -37.416 11.008 -16.533 1.00 0.00 H new ATOM 0 HA ARG A 73 -35.729 13.486 -16.698 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -36.749 11.898 -14.292 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -35.723 13.315 -14.197 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.495 14.640 -15.434 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.528 13.224 -15.424 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.271 13.186 -12.858 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.483 14.747 -12.987 1.00 0.00 H new ATOM 0 HE ARG A 73 -39.602 15.734 -13.817 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -40.879 14.972 -11.471 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -42.086 13.760 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -40.598 13.046 -14.996 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -41.928 12.680 -13.893 1.00 0.00 H new ATOM 602 N ASN A 74 -34.743 10.509 -16.685 1.00 0.00 N ATOM 603 CA ASN A 74 -33.547 9.625 -16.629 1.00 0.00 C ATOM 604 C ASN A 74 -33.246 9.268 -15.173 1.00 0.00 C ATOM 605 O ASN A 74 -32.108 9.251 -14.749 1.00 0.00 O ATOM 606 CB ASN A 74 -32.344 10.354 -17.230 1.00 0.00 C ATOM 607 CG ASN A 74 -32.632 10.694 -18.693 1.00 0.00 C ATOM 608 OD1 ASN A 74 -33.512 10.117 -19.302 1.00 0.00 O ATOM 609 ND2 ASN A 74 -31.926 11.617 -19.287 1.00 0.00 N ATOM 0 H ASN A 74 -35.543 10.127 -17.190 1.00 0.00 H new ATOM 0 HA ASN A 74 -33.742 8.715 -17.196 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.139 11.265 -16.667 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -31.454 9.729 -17.159 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.113 11.854 -20.261 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.188 12.102 -18.777 1.00 0.00 H new ATOM 616 N CYS A 75 -34.259 8.982 -14.401 1.00 0.00 N ATOM 617 CA CYS A 75 -34.027 8.627 -12.972 1.00 0.00 C ATOM 618 C CYS A 75 -35.027 7.553 -12.543 1.00 0.00 C ATOM 619 O CYS A 75 -36.096 7.425 -13.108 1.00 0.00 O ATOM 620 CB CYS A 75 -34.209 9.872 -12.102 1.00 0.00 C ATOM 621 SG CYS A 75 -35.942 10.393 -12.144 1.00 0.00 S ATOM 0 H CYS A 75 -35.235 8.979 -14.697 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.013 8.245 -12.853 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -33.907 9.659 -11.076 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -33.568 10.677 -12.462 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.096 11.450 -11.402 1.00 0.00 H new ATOM 627 N ALA A 76 -34.690 6.781 -11.548 1.00 0.00 N ATOM 628 CA ALA A 76 -35.622 5.715 -11.082 1.00 0.00 C ATOM 629 C ALA A 76 -35.780 5.804 -9.562 1.00 0.00 C ATOM 630 O ALA A 76 -34.952 6.370 -8.875 1.00 0.00 O ATOM 631 CB ALA A 76 -35.058 4.344 -11.458 1.00 0.00 C ATOM 0 H ALA A 76 -33.809 6.842 -11.037 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.594 5.849 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -35.739 3.564 -11.117 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -34.946 4.281 -12.540 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.086 4.208 -10.985 1.00 0.00 H new ATOM 637 N PHE A 77 -36.836 5.251 -9.034 1.00 0.00 N ATOM 638 CA PHE A 77 -37.048 5.305 -7.559 1.00 0.00 C ATOM 639 C PHE A 77 -37.089 3.883 -6.998 1.00 0.00 C ATOM 640 O PHE A 77 -37.753 3.013 -7.528 1.00 0.00 O ATOM 641 CB PHE A 77 -38.372 6.010 -7.260 1.00 0.00 C ATOM 642 CG PHE A 77 -38.283 7.451 -7.699 1.00 0.00 C ATOM 643 CD1 PHE A 77 -37.799 8.424 -6.817 1.00 0.00 C ATOM 644 CD2 PHE A 77 -38.686 7.815 -8.990 1.00 0.00 C ATOM 645 CE1 PHE A 77 -37.716 9.760 -7.225 1.00 0.00 C ATOM 646 CE2 PHE A 77 -38.603 9.152 -9.398 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.119 10.124 -8.515 1.00 0.00 C ATOM 0 H PHE A 77 -37.562 4.764 -9.559 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.230 5.856 -7.094 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.189 5.510 -7.780 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.593 5.956 -6.194 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.489 8.144 -5.821 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.061 7.065 -9.671 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.341 10.510 -6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -38.912 9.433 -10.394 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.056 11.155 -8.829 1.00 0.00 H new ATOM 657 N VAL A 78 -36.384 3.638 -5.928 1.00 0.00 N ATOM 658 CA VAL A 78 -36.380 2.272 -5.332 1.00 0.00 C ATOM 659 C VAL A 78 -36.922 2.337 -3.902 1.00 0.00 C ATOM 660 O VAL A 78 -36.437 3.086 -3.078 1.00 0.00 O ATOM 661 CB VAL A 78 -34.950 1.731 -5.310 1.00 0.00 C ATOM 662 CG1 VAL A 78 -34.952 0.301 -4.766 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.381 1.738 -6.731 1.00 0.00 C ATOM 0 H VAL A 78 -35.810 4.325 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.010 1.613 -5.930 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.333 2.360 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -33.932 -0.084 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.357 0.297 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.569 -0.331 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.362 1.353 -6.717 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -34.998 1.109 -7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.378 2.757 -7.117 1.00 0.00 H new ATOM 673 N THR A 79 -37.924 1.556 -3.601 1.00 0.00 N ATOM 674 CA THR A 79 -38.492 1.573 -2.223 1.00 0.00 C ATOM 675 C THR A 79 -38.066 0.304 -1.481 1.00 0.00 C ATOM 676 O THR A 79 -38.178 -0.793 -1.994 1.00 0.00 O ATOM 677 CB THR A 79 -40.020 1.631 -2.302 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.410 2.755 -3.079 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.601 1.758 -0.892 1.00 0.00 C ATOM 0 H THR A 79 -38.373 0.908 -4.248 1.00 0.00 H new ATOM 0 HA THR A 79 -38.123 2.448 -1.688 1.00 0.00 H new ATOM 0 HB THR A 79 -40.395 0.719 -2.767 1.00 0.00 H new ATOM 0 HG1 THR A 79 -41.388 2.793 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.689 1.799 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.301 0.896 -0.296 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.227 2.669 -0.425 1.00 0.00 H new ATOM 687 N TYR A 80 -37.580 0.442 -0.278 1.00 0.00 N ATOM 688 CA TYR A 80 -37.148 -0.757 0.494 1.00 0.00 C ATOM 689 C TYR A 80 -38.049 -0.929 1.719 1.00 0.00 C ATOM 690 O TYR A 80 -38.544 0.030 2.277 1.00 0.00 O ATOM 691 CB TYR A 80 -35.698 -0.577 0.951 1.00 0.00 C ATOM 692 CG TYR A 80 -34.763 -1.102 -0.111 1.00 0.00 C ATOM 693 CD1 TYR A 80 -34.913 -2.407 -0.594 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.744 -0.283 -0.612 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.044 -2.894 -1.579 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.876 -0.769 -1.596 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.025 -2.075 -2.080 1.00 0.00 C ATOM 698 OH TYR A 80 -32.169 -2.553 -3.050 1.00 0.00 O ATOM 0 H TYR A 80 -37.463 1.333 0.204 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.223 -1.641 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.494 0.477 1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.533 -1.107 1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.699 -3.039 -0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.628 0.724 -0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.160 -3.901 -1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.090 -0.137 -1.983 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.203 -3.532 -3.063 1.00 0.00 H new ATOM 708 N GLU A 81 -38.262 -2.144 2.142 1.00 0.00 N ATOM 709 CA GLU A 81 -39.128 -2.379 3.332 1.00 0.00 C ATOM 710 C GLU A 81 -38.424 -1.855 4.584 1.00 0.00 C ATOM 711 O GLU A 81 -39.055 -1.442 5.537 1.00 0.00 O ATOM 712 CB GLU A 81 -39.390 -3.878 3.483 1.00 0.00 C ATOM 713 CG GLU A 81 -40.428 -4.322 2.450 1.00 0.00 C ATOM 714 CD GLU A 81 -40.772 -5.796 2.675 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.200 -6.387 3.576 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.602 -6.307 1.942 1.00 0.00 O ATOM 0 H GLU A 81 -37.874 -2.985 1.715 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.076 -1.856 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -38.463 -4.435 3.346 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -39.747 -4.096 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -41.326 -3.711 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -40.039 -4.178 1.442 1.00 0.00 H new ATOM 723 N LYS A 82 -37.119 -1.869 4.591 1.00 0.00 N ATOM 724 CA LYS A 82 -36.373 -1.372 5.781 1.00 0.00 C ATOM 725 C LYS A 82 -35.396 -0.278 5.352 1.00 0.00 C ATOM 726 O LYS A 82 -34.874 -0.294 4.254 1.00 0.00 O ATOM 727 CB LYS A 82 -35.594 -2.528 6.413 1.00 0.00 C ATOM 728 CG LYS A 82 -36.576 -3.558 6.976 1.00 0.00 C ATOM 729 CD LYS A 82 -35.799 -4.655 7.707 1.00 0.00 C ATOM 730 CE LYS A 82 -36.774 -5.719 8.212 1.00 0.00 C ATOM 731 NZ LYS A 82 -36.151 -7.066 8.081 1.00 0.00 N ATOM 0 H LYS A 82 -36.537 -2.204 3.823 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.078 -0.966 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.948 -2.995 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.948 -2.154 7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.275 -3.075 7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.167 -3.992 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -35.067 -5.106 7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -35.245 -4.228 8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -37.032 -5.526 9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -37.701 -5.678 7.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -36.814 -7.790 8.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -35.926 -7.249 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -35.278 -7.101 8.645 1.00 0.00 H new ATOM 745 N MET A 83 -35.137 0.671 6.209 1.00 0.00 N ATOM 746 CA MET A 83 -34.189 1.761 5.846 1.00 0.00 C ATOM 747 C MET A 83 -32.776 1.186 5.734 1.00 0.00 C ATOM 748 O MET A 83 -31.903 1.770 5.126 1.00 0.00 O ATOM 749 CB MET A 83 -34.216 2.844 6.927 1.00 0.00 C ATOM 750 CG MET A 83 -35.604 3.488 6.969 1.00 0.00 C ATOM 751 SD MET A 83 -35.576 4.911 8.088 1.00 0.00 S ATOM 752 CE MET A 83 -34.562 5.994 7.053 1.00 0.00 C ATOM 0 H MET A 83 -35.540 0.739 7.143 1.00 0.00 H new ATOM 0 HA MET A 83 -34.483 2.197 4.891 1.00 0.00 H new ATOM 0 HB2 MET A 83 -33.975 2.410 7.898 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.459 3.600 6.719 1.00 0.00 H new ATOM 0 HG2 MET A 83 -35.900 3.804 5.969 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.344 2.762 7.306 1.00 0.00 H new ATOM 0 HE1 MET A 83 -34.794 7.035 7.279 1.00 0.00 H new ATOM 0 HE2 MET A 83 -33.507 5.806 7.253 1.00 0.00 H new ATOM 0 HE3 MET A 83 -34.773 5.795 6.002 1.00 0.00 H new ATOM 762 N GLU A 84 -32.546 0.040 6.316 1.00 0.00 N ATOM 763 CA GLU A 84 -31.192 -0.576 6.243 1.00 0.00 C ATOM 764 C GLU A 84 -30.956 -1.118 4.832 1.00 0.00 C ATOM 765 O GLU A 84 -29.835 -1.222 4.375 1.00 0.00 O ATOM 766 CB GLU A 84 -31.096 -1.722 7.252 1.00 0.00 C ATOM 767 CG GLU A 84 -31.163 -1.158 8.672 1.00 0.00 C ATOM 768 CD GLU A 84 -30.912 -2.281 9.679 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.837 -3.423 9.255 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.800 -1.982 10.856 1.00 0.00 O ATOM 0 H GLU A 84 -33.239 -0.496 6.839 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.438 0.176 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.909 -2.431 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -30.164 -2.269 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -30.420 -0.370 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -32.139 -0.707 8.850 1.00 0.00 H new ATOM 777 N SER A 85 -32.006 -1.465 4.138 1.00 0.00 N ATOM 778 CA SER A 85 -31.842 -1.999 2.757 1.00 0.00 C ATOM 779 C SER A 85 -31.559 -0.840 1.798 1.00 0.00 C ATOM 780 O SER A 85 -30.960 -1.015 0.757 1.00 0.00 O ATOM 781 CB SER A 85 -33.125 -2.714 2.330 1.00 0.00 C ATOM 782 OG SER A 85 -33.448 -3.716 3.283 1.00 0.00 O ATOM 0 H SER A 85 -32.969 -1.402 4.468 1.00 0.00 H new ATOM 0 HA SER A 85 -31.011 -2.704 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.943 -1.998 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 85 -32.994 -3.162 1.345 1.00 0.00 H new ATOM 0 HG SER A 85 -34.271 -4.173 3.011 1.00 0.00 H new ATOM 788 N ALA A 86 -31.989 0.342 2.145 1.00 0.00 N ATOM 789 CA ALA A 86 -31.748 1.514 1.256 1.00 0.00 C ATOM 790 C ALA A 86 -30.321 2.026 1.461 1.00 0.00 C ATOM 791 O ALA A 86 -29.638 2.380 0.520 1.00 0.00 O ATOM 792 CB ALA A 86 -32.742 2.624 1.598 1.00 0.00 C ATOM 0 H ALA A 86 -32.497 0.547 3.006 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.880 1.215 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.567 3.482 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.759 2.260 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.610 2.923 2.638 1.00 0.00 H new ATOM 798 N ASP A 87 -29.866 2.074 2.683 1.00 0.00 N ATOM 799 CA ASP A 87 -28.486 2.568 2.947 1.00 0.00 C ATOM 800 C ASP A 87 -27.469 1.563 2.404 1.00 0.00 C ATOM 801 O ASP A 87 -26.430 1.930 1.893 1.00 0.00 O ATOM 802 CB ASP A 87 -28.283 2.735 4.454 1.00 0.00 C ATOM 803 CG ASP A 87 -29.255 3.792 4.984 1.00 0.00 C ATOM 804 OD1 ASP A 87 -29.817 4.511 4.175 1.00 0.00 O ATOM 805 OD2 ASP A 87 -29.420 3.864 6.191 1.00 0.00 O ATOM 0 H ASP A 87 -30.391 1.792 3.511 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.345 3.529 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -28.449 1.785 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -27.255 3.033 4.663 1.00 0.00 H new ATOM 810 N GLN A 88 -27.760 0.297 2.510 1.00 0.00 N ATOM 811 CA GLN A 88 -26.810 -0.731 2.000 1.00 0.00 C ATOM 812 C GLN A 88 -26.812 -0.714 0.472 1.00 0.00 C ATOM 813 O GLN A 88 -25.783 -0.827 -0.162 1.00 0.00 O ATOM 814 CB GLN A 88 -27.237 -2.114 2.497 1.00 0.00 C ATOM 815 CG GLN A 88 -26.176 -3.144 2.104 1.00 0.00 C ATOM 816 CD GLN A 88 -26.596 -4.527 2.608 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.571 -4.656 3.322 1.00 0.00 O ATOM 818 NE2 GLN A 88 -25.896 -5.573 2.263 1.00 0.00 N ATOM 0 H GLN A 88 -28.615 -0.071 2.928 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.807 -0.510 2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.364 -2.101 3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.201 -2.386 2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.054 -3.161 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.211 -2.868 2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.078 -5.464 1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.167 -6.499 2.593 1.00 0.00 H new ATOM 827 N ALA A 89 -27.962 -0.574 -0.123 1.00 0.00 N ATOM 828 CA ALA A 89 -28.034 -0.551 -1.611 1.00 0.00 C ATOM 829 C ALA A 89 -27.620 0.832 -2.120 1.00 0.00 C ATOM 830 O ALA A 89 -26.914 0.956 -3.102 1.00 0.00 O ATOM 831 CB ALA A 89 -29.465 -0.853 -2.059 1.00 0.00 C ATOM 0 H ALA A 89 -28.857 -0.474 0.356 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.361 -1.305 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.517 -0.836 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.759 -1.838 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -30.140 -0.100 -1.652 1.00 0.00 H new ATOM 837 N VAL A 90 -28.054 1.872 -1.463 1.00 0.00 N ATOM 838 CA VAL A 90 -27.685 3.245 -1.911 1.00 0.00 C ATOM 839 C VAL A 90 -26.185 3.466 -1.707 1.00 0.00 C ATOM 840 O VAL A 90 -25.526 4.092 -2.513 1.00 0.00 O ATOM 841 CB VAL A 90 -28.465 4.276 -1.094 1.00 0.00 C ATOM 842 CG1 VAL A 90 -28.020 5.686 -1.493 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.962 4.116 -1.367 1.00 0.00 C ATOM 0 H VAL A 90 -28.648 1.831 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.928 3.357 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 90 -28.271 4.121 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -28.576 6.421 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.954 5.800 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -28.214 5.842 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -30.519 4.851 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -30.157 4.271 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -30.278 3.112 -1.083 1.00 0.00 H new ATOM 853 N ALA A 91 -25.641 2.962 -0.635 1.00 0.00 N ATOM 854 CA ALA A 91 -24.185 3.149 -0.381 1.00 0.00 C ATOM 855 C ALA A 91 -23.383 2.212 -1.286 1.00 0.00 C ATOM 856 O ALA A 91 -22.252 2.486 -1.632 1.00 0.00 O ATOM 857 CB ALA A 91 -23.879 2.830 1.084 1.00 0.00 C ATOM 0 H ALA A 91 -26.141 2.429 0.076 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.909 4.182 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.814 2.966 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.449 3.499 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -24.155 1.797 1.297 1.00 0.00 H new ATOM 863 N GLU A 92 -23.959 1.106 -1.671 1.00 0.00 N ATOM 864 CA GLU A 92 -23.227 0.153 -2.552 1.00 0.00 C ATOM 865 C GLU A 92 -23.498 0.499 -4.017 1.00 0.00 C ATOM 866 O GLU A 92 -22.595 0.560 -4.827 1.00 0.00 O ATOM 867 CB GLU A 92 -23.700 -1.273 -2.266 1.00 0.00 C ATOM 868 CG GLU A 92 -22.860 -2.262 -3.076 1.00 0.00 C ATOM 869 CD GLU A 92 -21.417 -2.239 -2.569 1.00 0.00 C ATOM 870 OE1 GLU A 92 -21.220 -1.907 -1.411 1.00 0.00 O ATOM 871 OE2 GLU A 92 -20.531 -2.554 -3.347 1.00 0.00 O ATOM 0 H GLU A 92 -24.904 0.821 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 92 -22.157 0.226 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -23.611 -1.490 -1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -24.754 -1.377 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.273 -3.267 -2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -22.890 -2.000 -4.134 1.00 0.00 H new ATOM 878 N LEU A 93 -24.736 0.723 -4.365 1.00 0.00 N ATOM 879 CA LEU A 93 -25.062 1.061 -5.779 1.00 0.00 C ATOM 880 C LEU A 93 -24.532 2.459 -6.108 1.00 0.00 C ATOM 881 O LEU A 93 -24.025 2.703 -7.185 1.00 0.00 O ATOM 882 CB LEU A 93 -26.579 1.034 -5.975 1.00 0.00 C ATOM 883 CG LEU A 93 -27.057 -0.418 -6.031 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.577 -0.463 -5.860 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.678 -1.027 -7.382 1.00 0.00 C ATOM 0 H LEU A 93 -25.535 0.687 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.596 0.331 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -27.072 1.560 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.847 1.553 -6.895 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.585 -0.987 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -28.917 -1.498 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -28.848 -0.029 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -29.050 0.106 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -27.018 -2.062 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -27.150 -0.458 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.595 -0.996 -7.504 1.00 0.00 H new ATOM 897 N ASN A 94 -24.645 3.379 -5.189 1.00 0.00 N ATOM 898 CA ASN A 94 -24.148 4.757 -5.452 1.00 0.00 C ATOM 899 C ASN A 94 -22.630 4.726 -5.643 1.00 0.00 C ATOM 900 O ASN A 94 -21.899 4.240 -4.802 1.00 0.00 O ATOM 901 CB ASN A 94 -24.493 5.660 -4.266 1.00 0.00 C ATOM 902 CG ASN A 94 -24.163 7.112 -4.617 1.00 0.00 C ATOM 903 OD1 ASN A 94 -24.749 7.681 -5.516 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.242 7.741 -3.939 1.00 0.00 N ATOM 0 H ASN A 94 -25.060 3.235 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.620 5.145 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -25.550 5.566 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.931 5.351 -3.385 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.015 8.710 -4.164 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -22.749 7.264 -3.184 1.00 0.00 H new ATOM 911 N GLY A 95 -22.151 5.241 -6.742 1.00 0.00 N ATOM 912 CA GLY A 95 -20.681 5.241 -6.984 1.00 0.00 C ATOM 913 C GLY A 95 -20.284 3.957 -7.715 1.00 0.00 C ATOM 914 O GLY A 95 -19.201 3.438 -7.532 1.00 0.00 O ATOM 0 H GLY A 95 -22.713 5.661 -7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.399 6.111 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -20.146 5.313 -6.037 1.00 0.00 H new ATOM 918 N THR A 96 -21.152 3.440 -8.540 1.00 0.00 N ATOM 919 CA THR A 96 -20.821 2.190 -9.280 1.00 0.00 C ATOM 920 C THR A 96 -20.995 2.423 -10.782 1.00 0.00 C ATOM 921 O THR A 96 -21.595 3.392 -11.205 1.00 0.00 O ATOM 922 CB THR A 96 -21.756 1.066 -8.827 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.058 1.297 -9.348 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.814 1.033 -7.299 1.00 0.00 C ATOM 0 H THR A 96 -22.075 3.828 -8.734 1.00 0.00 H new ATOM 0 HA THR A 96 -19.788 1.910 -9.074 1.00 0.00 H new ATOM 0 HB THR A 96 -21.381 0.111 -9.194 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.580 1.820 -8.704 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.480 0.232 -6.977 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.815 0.856 -6.901 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.188 1.987 -6.928 1.00 0.00 H new ATOM 932 N GLN A 97 -20.476 1.542 -11.591 1.00 0.00 N ATOM 933 CA GLN A 97 -20.610 1.712 -13.065 1.00 0.00 C ATOM 934 C GLN A 97 -21.171 0.427 -13.675 1.00 0.00 C ATOM 935 O GLN A 97 -21.192 -0.613 -13.047 1.00 0.00 O ATOM 936 CB GLN A 97 -19.238 2.009 -13.673 1.00 0.00 C ATOM 937 CG GLN A 97 -19.399 2.349 -15.156 1.00 0.00 C ATOM 938 CD GLN A 97 -18.065 2.853 -15.712 1.00 0.00 C ATOM 939 OE1 GLN A 97 -17.118 3.043 -14.974 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.949 3.078 -16.992 1.00 0.00 N ATOM 0 H GLN A 97 -19.964 0.711 -11.295 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.286 2.541 -13.275 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.768 2.840 -13.147 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.582 1.146 -13.556 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.726 1.468 -15.709 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -20.169 3.110 -15.284 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.743 2.919 -17.612 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -17.064 3.413 -17.373 1.00 0.00 H new ATOM 949 N VAL A 98 -21.621 0.488 -14.898 1.00 0.00 N ATOM 950 CA VAL A 98 -22.177 -0.732 -15.552 1.00 0.00 C ATOM 951 C VAL A 98 -21.399 -1.001 -16.840 1.00 0.00 C ATOM 952 O VAL A 98 -20.308 -0.503 -17.031 1.00 0.00 O ATOM 953 CB VAL A 98 -23.661 -0.526 -15.894 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.459 -1.751 -15.444 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.204 0.720 -15.186 1.00 0.00 C ATOM 0 H VAL A 98 -21.628 1.330 -15.474 1.00 0.00 H new ATOM 0 HA VAL A 98 -22.086 -1.577 -14.870 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.760 -0.392 -16.971 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.512 -1.608 -15.685 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -24.086 -2.637 -15.958 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.348 -1.882 -14.368 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.256 0.852 -15.438 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.102 0.599 -14.108 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.641 1.596 -15.508 1.00 0.00 H new ATOM 965 N GLU A 99 -21.952 -1.778 -17.730 1.00 0.00 N ATOM 966 CA GLU A 99 -21.238 -2.061 -19.004 1.00 0.00 C ATOM 967 C GLU A 99 -20.903 -0.736 -19.689 1.00 0.00 C ATOM 968 O GLU A 99 -20.036 -0.662 -20.537 1.00 0.00 O ATOM 969 CB GLU A 99 -22.137 -2.897 -19.918 1.00 0.00 C ATOM 970 CG GLU A 99 -21.394 -3.212 -21.217 1.00 0.00 C ATOM 971 CD GLU A 99 -22.356 -3.872 -22.205 1.00 0.00 C ATOM 972 OE1 GLU A 99 -23.524 -3.992 -21.873 1.00 0.00 O ATOM 973 OE2 GLU A 99 -21.910 -4.244 -23.278 1.00 0.00 O ATOM 0 H GLU A 99 -22.863 -2.227 -17.630 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.321 -2.613 -18.800 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -22.423 -3.822 -19.417 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -23.057 -2.355 -20.135 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -20.985 -2.297 -21.646 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -20.551 -3.874 -21.016 1.00 0.00 H new ATOM 980 N SER A 100 -21.586 0.314 -19.320 1.00 0.00 N ATOM 981 CA SER A 100 -21.314 1.641 -19.938 1.00 0.00 C ATOM 982 C SER A 100 -22.294 2.672 -19.374 1.00 0.00 C ATOM 983 O SER A 100 -22.731 3.569 -20.066 1.00 0.00 O ATOM 984 CB SER A 100 -21.490 1.545 -21.454 1.00 0.00 C ATOM 985 OG SER A 100 -22.808 1.945 -21.803 1.00 0.00 O ATOM 0 H SER A 100 -22.323 0.308 -18.615 1.00 0.00 H new ATOM 0 HA SER A 100 -20.292 1.946 -19.712 1.00 0.00 H new ATOM 0 HB2 SER A 100 -20.760 2.180 -21.957 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.308 0.524 -21.788 1.00 0.00 H new ATOM 0 HG SER A 100 -22.926 2.896 -21.598 1.00 0.00 H new ATOM 991 N VAL A 101 -22.644 2.548 -18.122 1.00 0.00 N ATOM 992 CA VAL A 101 -23.597 3.518 -17.516 1.00 0.00 C ATOM 993 C VAL A 101 -23.171 3.823 -16.078 1.00 0.00 C ATOM 994 O VAL A 101 -22.365 3.125 -15.497 1.00 0.00 O ATOM 995 CB VAL A 101 -25.000 2.912 -17.515 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.928 3.773 -16.657 1.00 0.00 C ATOM 997 CG2 VAL A 101 -25.535 2.859 -18.948 1.00 0.00 C ATOM 0 H VAL A 101 -22.311 1.817 -17.494 1.00 0.00 H new ATOM 0 HA VAL A 101 -23.598 4.441 -18.096 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.958 1.903 -17.105 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.929 3.340 -16.657 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -25.549 3.811 -15.636 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.969 4.782 -17.066 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -26.536 2.427 -18.947 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -25.576 3.868 -19.359 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -24.875 2.245 -19.560 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.708 4.863 -15.499 1.00 0.00 N ATOM 1008 CA GLN A 102 -23.338 5.215 -14.099 1.00 0.00 C ATOM 1009 C GLN A 102 -24.604 5.300 -13.245 1.00 0.00 C ATOM 1010 O GLN A 102 -25.503 6.066 -13.526 1.00 0.00 O ATOM 1011 CB GLN A 102 -22.623 6.568 -14.084 1.00 0.00 C ATOM 1012 CG GLN A 102 -21.274 6.441 -14.794 1.00 0.00 C ATOM 1013 CD GLN A 102 -20.504 7.756 -14.661 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -21.067 8.770 -14.298 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -19.229 7.784 -14.943 1.00 0.00 N ATOM 0 H GLN A 102 -24.388 5.485 -15.936 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.676 4.450 -13.695 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -23.237 7.321 -14.579 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -22.475 6.902 -13.057 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.698 5.624 -14.360 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -21.426 6.200 -15.846 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.755 6.934 -15.248 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.707 8.656 -14.858 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.684 4.517 -12.205 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.892 4.550 -11.336 1.00 0.00 C ATOM 1026 C LEU A 103 -25.686 5.563 -10.208 1.00 0.00 C ATOM 1027 O LEU A 103 -24.737 5.481 -9.452 1.00 0.00 O ATOM 1028 CB LEU A 103 -26.121 3.162 -10.738 1.00 0.00 C ATOM 1029 CG LEU A 103 -26.987 2.332 -11.688 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -27.024 0.882 -11.202 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -28.407 2.899 -11.711 1.00 0.00 C ATOM 0 H LEU A 103 -23.963 3.855 -11.919 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.759 4.842 -11.929 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.166 2.664 -10.572 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -26.609 3.249 -9.767 1.00 0.00 H new ATOM 0 HG LEU A 103 -26.566 2.370 -12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -27.640 0.288 -11.877 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -26.012 0.478 -11.185 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.446 0.845 -10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -29.024 2.308 -12.388 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -28.830 2.861 -10.707 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -28.380 3.933 -12.054 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.569 6.516 -10.084 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.425 7.529 -9.002 1.00 0.00 C ATOM 1045 C LYS A 104 -27.624 7.434 -8.055 1.00 0.00 C ATOM 1046 O LYS A 104 -28.757 7.609 -8.455 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.373 8.928 -9.620 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.054 9.103 -10.374 1.00 0.00 C ATOM 1049 CD LYS A 104 -24.966 10.527 -10.923 1.00 0.00 C ATOM 1050 CE LYS A 104 -23.802 10.622 -11.911 1.00 0.00 C ATOM 1051 NZ LYS A 104 -22.807 11.612 -11.413 1.00 0.00 N ATOM 0 H LYS A 104 -27.384 6.636 -10.686 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.506 7.342 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.214 9.069 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.462 9.685 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.213 8.906 -9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.991 8.383 -11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.899 10.796 -11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -24.823 11.235 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.331 9.646 -12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.168 10.921 -12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -22.016 11.677 -12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -23.260 12.544 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.449 11.308 -10.485 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.384 7.154 -6.803 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.511 7.046 -5.835 1.00 0.00 C ATOM 1067 C VAL A 105 -28.523 8.270 -4.918 1.00 0.00 C ATOM 1068 O VAL A 105 -27.497 8.857 -4.636 1.00 0.00 O ATOM 1069 CB VAL A 105 -28.341 5.780 -4.992 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.540 5.626 -4.055 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -28.253 4.561 -5.912 1.00 0.00 C ATOM 0 H VAL A 105 -26.457 6.996 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.452 6.996 -6.383 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.427 5.857 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.419 4.724 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.602 6.494 -3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.454 5.550 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -28.132 3.660 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -29.166 4.484 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -27.398 4.670 -6.579 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.677 8.658 -4.448 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.758 9.842 -3.548 1.00 0.00 C ATOM 1083 C ASN A 106 -30.904 9.645 -2.555 1.00 0.00 C ATOM 1084 O ASN A 106 -31.654 8.693 -2.640 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.012 11.101 -4.380 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.827 11.341 -5.316 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -29.005 11.583 -6.493 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -27.612 11.285 -4.839 1.00 0.00 N ATOM 0 H ASN A 106 -30.568 8.205 -4.649 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.820 9.952 -3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.929 10.989 -4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.152 11.961 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -26.815 11.444 -5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -27.461 11.082 -3.851 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.047 10.537 -1.612 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.147 10.396 -0.617 1.00 0.00 C ATOM 1097 C ILE A 107 -33.228 11.442 -0.897 1.00 0.00 C ATOM 1098 O ILE A 107 -32.949 12.618 -1.015 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.590 10.604 0.793 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.438 9.627 1.038 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.695 10.355 1.821 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.886 9.833 2.450 1.00 0.00 C ATOM 0 H ILE A 107 -30.451 11.355 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.579 9.398 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.226 11.627 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.786 8.601 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.650 9.785 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.298 10.503 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.516 11.051 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -33.060 9.333 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -29.065 9.137 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.523 10.856 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.676 9.653 3.179 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.458 11.023 -1.006 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.555 11.995 -1.279 1.00 0.00 C ATOM 1116 C ALA A 108 -35.676 12.968 -0.104 1.00 0.00 C ATOM 1117 O ALA A 108 -35.518 12.596 1.042 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.873 11.239 -1.454 1.00 0.00 C ATOM 0 H ALA A 108 -34.752 10.050 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.332 12.551 -2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.676 11.949 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.786 10.545 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -37.098 10.684 -0.543 1.00 0.00 H new ATOM 1124 N ARG A 109 -35.957 14.212 -0.379 1.00 0.00 N ATOM 1125 CA ARG A 109 -36.087 15.207 0.722 1.00 0.00 C ATOM 1126 C ARG A 109 -37.466 15.867 0.652 1.00 0.00 C ATOM 1127 O ARG A 109 -38.049 16.002 -0.406 1.00 0.00 O ATOM 1128 CB ARG A 109 -35.002 16.274 0.575 1.00 0.00 C ATOM 1129 CG ARG A 109 -33.625 15.621 0.710 1.00 0.00 C ATOM 1130 CD ARG A 109 -32.539 16.696 0.638 1.00 0.00 C ATOM 1131 NE ARG A 109 -31.199 16.045 0.599 1.00 0.00 N ATOM 1132 CZ ARG A 109 -30.859 15.195 1.529 1.00 0.00 C ATOM 1133 NH1 ARG A 109 -30.057 15.566 2.489 1.00 0.00 N ATOM 1134 NH2 ARG A 109 -31.320 13.976 1.499 1.00 0.00 N ATOM 0 H ARG A 109 -36.102 14.582 -1.318 1.00 0.00 H new ATOM 0 HA ARG A 109 -35.974 14.704 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -35.090 16.766 -0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -35.128 17.044 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -33.557 15.084 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -33.479 14.888 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -32.681 17.313 -0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -32.609 17.358 1.501 1.00 0.00 H new ATOM 0 HE ARG A 109 -30.548 16.264 -0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -29.696 16.520 2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -29.791 14.902 3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -31.947 13.686 0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -31.054 13.312 2.226 1.00 0.00 H new ATOM 1148 N LYS A 110 -37.994 16.280 1.773 1.00 0.00 N ATOM 1149 CA LYS A 110 -39.335 16.929 1.773 1.00 0.00 C ATOM 1150 C LYS A 110 -39.291 18.189 0.905 1.00 0.00 C ATOM 1151 O LYS A 110 -40.241 18.515 0.220 1.00 0.00 O ATOM 1152 CB LYS A 110 -39.717 17.309 3.203 1.00 0.00 C ATOM 1153 CG LYS A 110 -39.856 16.041 4.047 1.00 0.00 C ATOM 1154 CD LYS A 110 -40.333 16.413 5.453 1.00 0.00 C ATOM 1155 CE LYS A 110 -40.368 15.159 6.329 1.00 0.00 C ATOM 1156 NZ LYS A 110 -41.742 14.585 6.322 1.00 0.00 N ATOM 0 H LYS A 110 -37.553 16.195 2.689 1.00 0.00 H new ATOM 0 HA LYS A 110 -40.074 16.236 1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -38.958 17.963 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -40.655 17.865 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -40.565 15.357 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -38.900 15.521 4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -39.666 17.156 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -41.324 16.864 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -39.654 14.424 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -40.071 15.406 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -41.765 13.733 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -42.413 15.286 6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -42.009 14.334 5.348 1.00 0.00 H new ATOM 1170 N GLN A 111 -38.197 18.899 0.928 1.00 0.00 N ATOM 1171 CA GLN A 111 -38.096 20.136 0.104 1.00 0.00 C ATOM 1172 C GLN A 111 -36.824 20.080 -0.743 1.00 0.00 C ATOM 1173 O GLN A 111 -35.822 20.684 -0.415 1.00 0.00 O ATOM 1174 CB GLN A 111 -38.044 21.359 1.024 1.00 0.00 C ATOM 1175 CG GLN A 111 -37.059 21.097 2.165 1.00 0.00 C ATOM 1176 CD GLN A 111 -36.181 22.332 2.374 1.00 0.00 C ATOM 1177 OE1 GLN A 111 -36.173 22.912 3.442 1.00 0.00 O ATOM 1178 NE2 GLN A 111 -35.437 22.762 1.393 1.00 0.00 N ATOM 0 H GLN A 111 -37.369 18.676 1.481 1.00 0.00 H new ATOM 0 HA GLN A 111 -38.965 20.210 -0.550 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -37.737 22.239 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -39.036 21.568 1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -37.601 20.864 3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -36.438 20.232 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -35.444 22.275 0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -34.848 23.585 1.522 1.00 0.00 H new ATOM 1187 N PRO A 112 -36.872 19.339 -1.859 1.00 0.00 N ATOM 1188 CA PRO A 112 -35.727 19.196 -2.767 1.00 0.00 C ATOM 1189 C PRO A 112 -35.421 20.501 -3.506 1.00 0.00 C ATOM 1190 O PRO A 112 -34.329 20.708 -3.995 1.00 0.00 O ATOM 1191 CB PRO A 112 -36.189 18.128 -3.759 1.00 0.00 C ATOM 1192 CG PRO A 112 -37.677 18.210 -3.731 1.00 0.00 C ATOM 1193 CD PRO A 112 -38.047 18.581 -2.324 1.00 0.00 C ATOM 0 HA PRO A 112 -34.812 18.935 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -35.800 18.320 -4.759 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -35.841 17.137 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -38.040 18.955 -4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -38.125 17.257 -4.014 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -38.955 19.184 -2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -38.228 17.700 -1.709 1.00 0.00 H new ATOM 1201 N MET A 113 -36.379 21.384 -3.590 1.00 0.00 N ATOM 1202 CA MET A 113 -36.144 22.674 -4.295 1.00 0.00 C ATOM 1203 C MET A 113 -35.674 22.395 -5.723 1.00 0.00 C ATOM 1204 O MET A 113 -35.704 23.261 -6.577 1.00 0.00 O ATOM 1205 CB MET A 113 -35.072 23.474 -3.552 1.00 0.00 C ATOM 1206 CG MET A 113 -35.581 23.835 -2.155 1.00 0.00 C ATOM 1207 SD MET A 113 -34.385 24.919 -1.338 1.00 0.00 S ATOM 1208 CE MET A 113 -32.979 23.781 -1.384 1.00 0.00 C ATOM 0 H MET A 113 -37.314 21.267 -3.200 1.00 0.00 H new ATOM 0 HA MET A 113 -37.071 23.247 -4.322 1.00 0.00 H new ATOM 0 HB2 MET A 113 -34.154 22.890 -3.477 1.00 0.00 H new ATOM 0 HB3 MET A 113 -34.829 24.380 -4.107 1.00 0.00 H new ATOM 0 HG2 MET A 113 -36.549 24.332 -2.226 1.00 0.00 H new ATOM 0 HG3 MET A 113 -35.730 22.930 -1.566 1.00 0.00 H new ATOM 0 HE1 MET A 113 -32.358 23.934 -0.501 1.00 0.00 H new ATOM 0 HE2 MET A 113 -33.343 22.754 -1.399 1.00 0.00 H new ATOM 0 HE3 MET A 113 -32.388 23.969 -2.280 1.00 0.00 H new TER 1218 MET A 113