USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 709 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 28 THR OG1 : rot -112:sc= 1.22 USER MOD Set 2.2: A 71 THR OG1 : rot 91:sc= -0.144 USER MOD Single : A 1 ALA N :NH3+ 136:sc= 0.509 (180deg=0.00108) USER MOD Single : A 2 SER OG : rot 23:sc= 0.261 USER MOD Single : A 4 GLN : amide:sc= -0.567 K(o=-0.57,f=-2.5) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -133:sc= -1.93 (180deg=-3.41) USER MOD Single : A 9 THR OG1 : rot -77:sc= -5.12! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 37:sc= 0.00826 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 152:sc= -2.18 (180deg=-4.67!) USER MOD Single : A 34 ASN : amide:sc= -3.59! C(o=-3.6!,f=-9.4!) USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= 2.47 (180deg=1.87) USER MOD Single : A 40 ASN : amide:sc= -4.67! C(o=-4.7!,f=-7.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 57 ASN : amide:sc=-0.000718 X(o=-0.00072,f=0) USER MOD Single : A 58 THR OG1 : rot -37:sc= 1.08 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 145:sc= 0.586 USER MOD Single : A 68 TYR OH : rot -140:sc= -1.94 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 74 THR OG1 : rot 90:sc= -3.5! USER MOD Single : A 78 TYR OH : rot 26:sc= -0.975 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 164:sc= -1.16 (180deg=-2.18) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.304 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.408 -11.584 -1.725 1.00 0.00 N ATOM 2 CA ALA A 1 -13.020 -10.406 -2.315 1.00 0.00 C ATOM 3 C ALA A 1 -11.949 -9.335 -2.532 1.00 0.00 C ATOM 4 O ALA A 1 -11.183 -9.024 -1.621 1.00 0.00 O ATOM 5 CB ALA A 1 -14.159 -9.917 -1.417 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.011 -11.940 -0.956 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.302 -12.321 -2.451 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.472 -11.336 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.451 -10.644 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.618 -9.033 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.907 -10.703 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.764 -9.666 -0.433 1.00 0.00 H new ATOM 11 N SER A 2 -11.930 -8.800 -3.744 1.00 0.00 N ATOM 12 CA SER A 2 -10.965 -7.771 -4.092 1.00 0.00 C ATOM 13 C SER A 2 -11.124 -6.567 -3.160 1.00 0.00 C ATOM 14 O SER A 2 -12.215 -6.014 -3.037 1.00 0.00 O ATOM 15 CB SER A 2 -11.125 -7.337 -5.551 1.00 0.00 C ATOM 16 OG SER A 2 -12.343 -6.629 -5.767 1.00 0.00 O ATOM 0 H SER A 2 -12.567 -9.060 -4.497 1.00 0.00 H new ATOM 0 HA SER A 2 -9.964 -8.186 -3.972 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.283 -6.706 -5.836 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.097 -8.215 -6.196 1.00 0.00 H new ATOM 0 HG SER A 2 -12.651 -6.242 -4.921 1.00 0.00 H new ATOM 22 N VAL A 3 -10.019 -6.199 -2.528 1.00 0.00 N ATOM 23 CA VAL A 3 -10.023 -5.071 -1.611 1.00 0.00 C ATOM 24 C VAL A 3 -9.197 -3.931 -2.210 1.00 0.00 C ATOM 25 O VAL A 3 -8.470 -4.129 -3.183 1.00 0.00 O ATOM 26 CB VAL A 3 -9.522 -5.515 -0.235 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.449 -6.568 0.373 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.084 -6.032 -0.317 1.00 0.00 C ATOM 0 H VAL A 3 -9.116 -6.661 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.037 -4.697 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.529 -4.645 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.070 -6.866 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.450 -6.151 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.489 -7.439 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.751 -6.341 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.042 -6.884 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.433 -5.240 -0.687 1.00 0.00 H new ATOM 38 N GLN A 4 -9.337 -2.761 -1.604 1.00 0.00 N ATOM 39 CA GLN A 4 -8.613 -1.588 -2.064 1.00 0.00 C ATOM 40 C GLN A 4 -7.943 -0.881 -0.885 1.00 0.00 C ATOM 41 O GLN A 4 -8.467 -0.888 0.228 1.00 0.00 O ATOM 42 CB GLN A 4 -9.540 -0.634 -2.820 1.00 0.00 C ATOM 43 CG GLN A 4 -10.553 -1.408 -3.666 1.00 0.00 C ATOM 44 CD GLN A 4 -10.890 -0.649 -4.951 1.00 0.00 C ATOM 45 OE1 GLN A 4 -10.589 0.523 -5.106 1.00 0.00 O ATOM 46 NE2 GLN A 4 -11.532 -1.380 -5.858 1.00 0.00 N ATOM 0 H GLN A 4 -9.941 -2.600 -0.798 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.836 -1.913 -2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.066 0.005 -2.111 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.950 0.020 -3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.150 -2.390 -3.915 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.462 -1.574 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.753 -2.356 -5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.803 -0.964 -6.749 1.00 0.00 H new ATOM 55 N ILE A 5 -6.792 -0.287 -1.169 1.00 0.00 N ATOM 56 CA ILE A 5 -6.045 0.424 -0.145 1.00 0.00 C ATOM 57 C ILE A 5 -5.990 1.911 -0.499 1.00 0.00 C ATOM 58 O ILE A 5 -5.284 2.307 -1.425 1.00 0.00 O ATOM 59 CB ILE A 5 -4.667 -0.213 0.051 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.781 -1.550 0.785 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.713 0.751 0.758 1.00 0.00 C ATOM 62 CD1 ILE A 5 -5.513 -1.383 2.118 1.00 0.00 C ATOM 0 H ILE A 5 -6.359 -0.284 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.548 0.344 0.818 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.243 -0.421 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.314 -2.267 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.786 -1.958 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.741 0.274 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.598 1.654 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.119 1.013 1.735 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.580 -2.348 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.965 -0.684 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.516 -0.998 1.936 1.00 0.00 H new ATOM 74 N LYS A 6 -6.746 2.694 0.256 1.00 0.00 N ATOM 75 CA LYS A 6 -6.793 4.130 0.033 1.00 0.00 C ATOM 76 C LYS A 6 -5.630 4.794 0.774 1.00 0.00 C ATOM 77 O LYS A 6 -5.332 4.441 1.913 1.00 0.00 O ATOM 78 CB LYS A 6 -8.164 4.687 0.418 1.00 0.00 C ATOM 79 CG LYS A 6 -9.022 4.939 -0.824 1.00 0.00 C ATOM 80 CD LYS A 6 -10.406 5.464 -0.437 1.00 0.00 C ATOM 81 CE LYS A 6 -11.395 5.302 -1.593 1.00 0.00 C ATOM 82 NZ LYS A 6 -11.942 3.927 -1.620 1.00 0.00 N ATOM 0 H LYS A 6 -7.331 2.362 1.023 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.669 4.356 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.673 3.986 1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.040 5.617 0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.525 5.659 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.126 4.015 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.772 4.926 0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.336 6.515 -0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.208 6.021 -1.487 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.897 5.520 -2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.611 3.835 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.165 3.247 -1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.435 3.732 -0.725 1.00 0.00 H new ATOM 96 N MET A 7 -5.003 5.744 0.094 1.00 0.00 N ATOM 97 CA MET A 7 -3.879 6.460 0.673 1.00 0.00 C ATOM 98 C MET A 7 -4.318 7.824 1.211 1.00 0.00 C ATOM 99 O MET A 7 -4.647 8.723 0.439 1.00 0.00 O ATOM 100 CB MET A 7 -2.797 6.654 -0.391 1.00 0.00 C ATOM 101 CG MET A 7 -1.808 5.487 -0.385 1.00 0.00 C ATOM 102 SD MET A 7 -2.540 4.062 -1.172 1.00 0.00 S ATOM 103 CE MET A 7 -2.468 4.580 -2.879 1.00 0.00 C ATOM 0 H MET A 7 -5.252 6.034 -0.852 1.00 0.00 H new ATOM 0 HA MET A 7 -3.484 5.873 1.503 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.260 6.738 -1.374 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.265 7.587 -0.208 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.894 5.771 -0.907 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.527 5.243 0.640 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.430 4.395 -3.356 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.238 5.644 -2.927 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.691 4.018 -3.397 1.00 0.00 H new ATOM 113 N GLY A 8 -4.307 7.935 2.531 1.00 0.00 N ATOM 114 CA GLY A 8 -4.699 9.174 3.181 1.00 0.00 C ATOM 115 C GLY A 8 -6.125 9.080 3.726 1.00 0.00 C ATOM 116 O GLY A 8 -6.890 8.205 3.325 1.00 0.00 O ATOM 0 H GLY A 8 -4.033 7.187 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.009 9.396 3.995 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.631 9.999 2.471 1.00 0.00 H new ATOM 120 N THR A 9 -6.439 9.993 4.633 1.00 0.00 N ATOM 121 CA THR A 9 -7.760 10.024 5.238 1.00 0.00 C ATOM 122 C THR A 9 -8.400 11.402 5.053 1.00 0.00 C ATOM 123 O THR A 9 -7.699 12.395 4.864 1.00 0.00 O ATOM 124 CB THR A 9 -7.618 9.612 6.705 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.412 10.243 7.127 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.334 8.118 6.868 1.00 0.00 C ATOM 0 H THR A 9 -5.801 10.717 4.964 1.00 0.00 H new ATOM 0 HA THR A 9 -8.434 9.319 4.751 1.00 0.00 H new ATOM 0 HB THR A 9 -8.530 9.869 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.643 9.745 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.242 7.879 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.153 7.543 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.404 7.867 6.357 1.00 0.00 H new ATOM 134 N ASP A 10 -9.723 11.417 5.114 1.00 0.00 N ATOM 135 CA ASP A 10 -10.465 12.656 4.955 1.00 0.00 C ATOM 136 C ASP A 10 -10.065 13.630 6.064 1.00 0.00 C ATOM 137 O ASP A 10 -10.350 14.824 5.979 1.00 0.00 O ATOM 138 CB ASP A 10 -11.972 12.412 5.058 1.00 0.00 C ATOM 139 CG ASP A 10 -12.848 13.559 4.549 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.326 14.694 4.498 1.00 0.00 O ATOM 141 OD2 ASP A 10 -14.021 13.275 4.222 1.00 0.00 O ATOM 0 H ASP A 10 -10.300 10.591 5.271 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.233 13.065 3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.218 11.510 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.223 12.218 6.101 1.00 0.00 H new ATOM 146 N LYS A 11 -9.412 13.085 7.080 1.00 0.00 N ATOM 147 CA LYS A 11 -8.971 13.891 8.205 1.00 0.00 C ATOM 148 C LYS A 11 -7.562 14.418 7.928 1.00 0.00 C ATOM 149 O LYS A 11 -6.715 14.436 8.820 1.00 0.00 O ATOM 150 CB LYS A 11 -9.085 13.099 9.510 1.00 0.00 C ATOM 151 CG LYS A 11 -9.681 13.961 10.624 1.00 0.00 C ATOM 152 CD LYS A 11 -8.775 13.965 11.857 1.00 0.00 C ATOM 153 CE LYS A 11 -9.591 13.782 13.138 1.00 0.00 C ATOM 154 NZ LYS A 11 -9.451 12.401 13.649 1.00 0.00 N ATOM 0 H LYS A 11 -9.178 12.095 7.147 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.619 14.759 8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.709 12.219 9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.100 12.741 9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.818 14.981 10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.667 13.583 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.038 13.166 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.223 14.904 11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.255 14.492 13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.641 13.999 12.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.011 12.294 14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.793 11.729 12.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.450 12.207 13.856 1.00 0.00 H new ATOM 168 N TYR A 12 -7.354 14.836 6.688 1.00 0.00 N ATOM 169 CA TYR A 12 -6.062 15.362 6.281 1.00 0.00 C ATOM 170 C TYR A 12 -4.921 14.568 6.921 1.00 0.00 C ATOM 171 O TYR A 12 -3.851 15.115 7.184 1.00 0.00 O ATOM 172 CB TYR A 12 -6.015 16.803 6.794 1.00 0.00 C ATOM 173 CG TYR A 12 -6.027 17.858 5.685 1.00 0.00 C ATOM 174 CD1 TYR A 12 -5.197 17.719 4.592 1.00 0.00 C ATOM 175 CD2 TYR A 12 -6.869 18.947 5.780 1.00 0.00 C ATOM 176 CE1 TYR A 12 -5.208 18.713 3.549 1.00 0.00 C ATOM 177 CE2 TYR A 12 -6.880 19.940 4.737 1.00 0.00 C ATOM 178 CZ TYR A 12 -6.050 19.774 3.673 1.00 0.00 C ATOM 179 OH TYR A 12 -6.061 20.712 2.688 1.00 0.00 O ATOM 0 H TYR A 12 -8.059 14.821 5.951 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.944 15.298 5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.868 16.972 7.452 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.116 16.934 7.397 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.539 16.866 4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.519 19.055 6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.562 18.618 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.533 20.798 4.799 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.711 21.411 2.909 1.00 0.00 H new ATOM 189 N ALA A 13 -5.189 13.291 7.152 1.00 0.00 N ATOM 190 CA ALA A 13 -4.198 12.416 7.755 1.00 0.00 C ATOM 191 C ALA A 13 -3.565 11.544 6.669 1.00 0.00 C ATOM 192 O ALA A 13 -4.203 10.626 6.155 1.00 0.00 O ATOM 193 CB ALA A 13 -4.853 11.587 8.861 1.00 0.00 C ATOM 0 H ALA A 13 -6.078 12.842 6.932 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.401 13.000 8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.109 10.931 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.260 12.253 9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.657 10.986 8.437 1.00 0.00 H new ATOM 199 N PRO A 14 -2.285 11.869 6.343 1.00 0.00 N ATOM 200 CA PRO A 14 -1.560 11.125 5.327 1.00 0.00 C ATOM 201 C PRO A 14 -1.114 9.762 5.860 1.00 0.00 C ATOM 202 O PRO A 14 0.051 9.579 6.211 1.00 0.00 O ATOM 203 CB PRO A 14 -0.395 12.023 4.941 1.00 0.00 C ATOM 204 CG PRO A 14 -0.243 13.022 6.075 1.00 0.00 C ATOM 205 CD PRO A 14 -1.498 12.950 6.931 1.00 0.00 C ATOM 0 HA PRO A 14 -2.173 10.893 4.456 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.518 11.442 4.808 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.590 12.531 3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.640 12.791 6.671 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.107 14.029 5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.255 12.742 7.973 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.044 13.893 6.913 1.00 0.00 H new ATOM 213 N LEU A 15 -2.065 8.840 5.902 1.00 0.00 N ATOM 214 CA LEU A 15 -1.785 7.499 6.386 1.00 0.00 C ATOM 215 C LEU A 15 -2.547 6.484 5.531 1.00 0.00 C ATOM 216 O LEU A 15 -3.509 6.838 4.851 1.00 0.00 O ATOM 217 CB LEU A 15 -2.087 7.395 7.882 1.00 0.00 C ATOM 218 CG LEU A 15 -3.548 7.610 8.288 1.00 0.00 C ATOM 219 CD1 LEU A 15 -4.235 6.276 8.590 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.653 8.587 9.459 1.00 0.00 C ATOM 0 H LEU A 15 -3.030 8.995 5.609 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.724 7.270 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.776 6.409 8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.473 8.126 8.408 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.074 8.060 7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.271 6.457 8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.208 5.644 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.715 5.776 9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.701 8.722 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.108 8.189 10.315 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.226 9.547 9.171 1.00 0.00 H new ATOM 232 N TYR A 16 -2.090 5.242 5.596 1.00 0.00 N ATOM 233 CA TYR A 16 -2.716 4.174 4.836 1.00 0.00 C ATOM 234 C TYR A 16 -4.019 3.721 5.500 1.00 0.00 C ATOM 235 O TYR A 16 -4.094 3.620 6.723 1.00 0.00 O ATOM 236 CB TYR A 16 -1.723 3.011 4.845 1.00 0.00 C ATOM 237 CG TYR A 16 -0.772 2.995 3.646 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.278 2.878 2.367 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.590 3.098 3.843 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.384 2.864 1.238 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.484 3.083 2.714 1.00 0.00 C ATOM 242 CZ TYR A 16 0.953 2.967 1.467 1.00 0.00 C ATOM 243 OH TYR A 16 1.797 2.953 0.402 1.00 0.00 O ATOM 0 H TYR A 16 -1.294 4.952 6.163 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.956 4.510 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.135 3.056 5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.278 2.073 4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.344 2.797 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.985 3.190 4.844 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.766 2.774 0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.552 3.162 2.854 1.00 0.00 H new ATOM 0 HH TYR A 16 1.388 3.436 -0.346 1.00 0.00 H new ATOM 253 N GLU A 17 -5.012 3.461 4.663 1.00 0.00 N ATOM 254 CA GLU A 17 -6.308 3.021 5.154 1.00 0.00 C ATOM 255 C GLU A 17 -6.910 1.983 4.203 1.00 0.00 C ATOM 256 O GLU A 17 -6.900 2.169 2.988 1.00 0.00 O ATOM 257 CB GLU A 17 -7.255 4.207 5.341 1.00 0.00 C ATOM 258 CG GLU A 17 -8.370 3.867 6.331 1.00 0.00 C ATOM 259 CD GLU A 17 -9.348 5.035 6.479 1.00 0.00 C ATOM 260 OE1 GLU A 17 -10.128 5.247 5.525 1.00 0.00 O ATOM 261 OE2 GLU A 17 -9.293 5.690 7.542 1.00 0.00 O ATOM 0 H GLU A 17 -4.946 3.546 3.649 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.167 2.555 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.695 5.071 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.689 4.486 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.905 2.981 5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.938 3.625 7.302 1.00 0.00 H new ATOM 268 N PRO A 18 -7.434 0.884 4.810 1.00 0.00 N ATOM 269 CA PRO A 18 -7.405 0.742 6.256 1.00 0.00 C ATOM 270 C PRO A 18 -5.999 0.383 6.742 1.00 0.00 C ATOM 271 O PRO A 18 -5.295 -0.393 6.099 1.00 0.00 O ATOM 272 CB PRO A 18 -8.434 -0.333 6.566 1.00 0.00 C ATOM 273 CG PRO A 18 -8.664 -1.079 5.261 1.00 0.00 C ATOM 274 CD PRO A 18 -8.066 -0.247 4.137 1.00 0.00 C ATOM 0 HA PRO A 18 -7.649 1.669 6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.073 -1.007 7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.361 0.108 6.932 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.198 -2.064 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.730 -1.237 5.094 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.340 -0.822 3.562 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.834 0.086 3.439 1.00 0.00 H new ATOM 282 N LYS A 19 -5.634 0.965 7.875 1.00 0.00 N ATOM 283 CA LYS A 19 -4.325 0.717 8.456 1.00 0.00 C ATOM 284 C LYS A 19 -3.965 -0.758 8.277 1.00 0.00 C ATOM 285 O LYS A 19 -2.805 -1.093 8.037 1.00 0.00 O ATOM 286 CB LYS A 19 -4.287 1.187 9.912 1.00 0.00 C ATOM 287 CG LYS A 19 -3.562 2.528 10.036 1.00 0.00 C ATOM 288 CD LYS A 19 -3.711 3.104 11.446 1.00 0.00 C ATOM 289 CE LYS A 19 -2.343 3.353 12.084 1.00 0.00 C ATOM 290 NZ LYS A 19 -2.308 4.682 12.733 1.00 0.00 N ATOM 0 H LYS A 19 -6.222 1.608 8.406 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.562 1.298 7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.303 1.282 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.785 0.440 10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.505 2.397 9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.965 3.232 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.272 4.038 11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.285 2.415 12.065 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.132 2.577 12.820 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.564 3.292 11.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.373 4.835 13.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.489 5.420 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.038 4.727 13.472 1.00 0.00 H new ATOM 304 N ALA A 20 -4.978 -1.602 8.399 1.00 0.00 N ATOM 305 CA ALA A 20 -4.783 -3.034 8.254 1.00 0.00 C ATOM 306 C ALA A 20 -5.776 -3.578 7.224 1.00 0.00 C ATOM 307 O ALA A 20 -6.869 -3.038 7.066 1.00 0.00 O ATOM 308 CB ALA A 20 -4.928 -3.711 9.618 1.00 0.00 C ATOM 0 H ALA A 20 -5.938 -1.321 8.597 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.779 -3.249 7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.782 -4.786 9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.181 -3.311 10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.925 -3.519 10.015 1.00 0.00 H new ATOM 314 N LEU A 21 -5.358 -4.641 6.551 1.00 0.00 N ATOM 315 CA LEU A 21 -6.197 -5.264 5.542 1.00 0.00 C ATOM 316 C LEU A 21 -5.927 -6.770 5.519 1.00 0.00 C ATOM 317 O LEU A 21 -4.796 -7.205 5.733 1.00 0.00 O ATOM 318 CB LEU A 21 -6.000 -4.583 4.186 1.00 0.00 C ATOM 319 CG LEU A 21 -6.406 -5.401 2.959 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.919 -5.629 2.929 1.00 0.00 C ATOM 321 CD2 LEU A 21 -5.901 -4.746 1.672 1.00 0.00 C ATOM 0 H LEU A 21 -4.450 -5.086 6.685 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.251 -5.132 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.569 -3.653 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.949 -4.313 4.087 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.933 -6.380 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.182 -6.213 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.223 -6.169 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.431 -4.668 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.203 -5.348 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.326 -3.746 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.814 -4.677 1.701 1.00 0.00 H new ATOM 333 N SER A 22 -6.983 -7.525 5.256 1.00 0.00 N ATOM 334 CA SER A 22 -6.874 -8.973 5.202 1.00 0.00 C ATOM 335 C SER A 22 -7.521 -9.499 3.920 1.00 0.00 C ATOM 336 O SER A 22 -8.522 -8.954 3.456 1.00 0.00 O ATOM 337 CB SER A 22 -7.522 -9.620 6.428 1.00 0.00 C ATOM 338 OG SER A 22 -7.129 -10.981 6.583 1.00 0.00 O ATOM 0 H SER A 22 -7.919 -7.161 5.078 1.00 0.00 H new ATOM 0 HA SER A 22 -5.816 -9.237 5.202 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.248 -9.059 7.322 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.607 -9.564 6.337 1.00 0.00 H new ATOM 0 HG SER A 22 -7.562 -11.358 7.377 1.00 0.00 H new ATOM 344 N ILE A 23 -6.924 -10.552 3.382 1.00 0.00 N ATOM 345 CA ILE A 23 -7.431 -11.158 2.163 1.00 0.00 C ATOM 346 C ILE A 23 -6.990 -12.623 2.105 1.00 0.00 C ATOM 347 O ILE A 23 -6.388 -13.131 3.048 1.00 0.00 O ATOM 348 CB ILE A 23 -7.006 -10.339 0.942 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.485 -10.347 0.779 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.568 -8.919 1.012 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.086 -10.027 -0.664 1.00 0.00 C ATOM 0 H ILE A 23 -6.094 -11.001 3.768 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.521 -11.153 2.159 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.427 -10.808 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.040 -9.616 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.091 -11.323 1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.251 -8.358 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.657 -8.960 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.197 -8.425 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.000 -10.039 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.513 -10.774 -1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.461 -9.040 -0.935 1.00 0.00 H new ATOM 363 N SER A 24 -7.308 -13.259 0.987 1.00 0.00 N ATOM 364 CA SER A 24 -6.952 -14.654 0.793 1.00 0.00 C ATOM 365 C SER A 24 -6.122 -14.811 -0.483 1.00 0.00 C ATOM 366 O SER A 24 -6.088 -13.910 -1.320 1.00 0.00 O ATOM 367 CB SER A 24 -8.200 -15.537 0.727 1.00 0.00 C ATOM 368 OG SER A 24 -9.112 -15.252 1.784 1.00 0.00 O ATOM 0 H SER A 24 -7.808 -12.834 0.206 1.00 0.00 H new ATOM 0 HA SER A 24 -6.357 -14.976 1.647 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.698 -15.390 -0.231 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.905 -16.585 0.775 1.00 0.00 H new ATOM 0 HG SER A 24 -9.896 -15.835 1.706 1.00 0.00 H new ATOM 374 N ALA A 25 -5.475 -15.962 -0.592 1.00 0.00 N ATOM 375 CA ALA A 25 -4.648 -16.248 -1.752 1.00 0.00 C ATOM 376 C ALA A 25 -5.527 -16.280 -3.003 1.00 0.00 C ATOM 377 O ALA A 25 -6.275 -17.232 -3.216 1.00 0.00 O ATOM 378 CB ALA A 25 -3.898 -17.563 -1.532 1.00 0.00 C ATOM 0 H ALA A 25 -5.507 -16.707 0.104 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.901 -15.467 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.278 -17.778 -2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.266 -17.478 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.615 -18.371 -1.389 1.00 0.00 H new ATOM 384 N GLY A 26 -5.405 -15.228 -3.799 1.00 0.00 N ATOM 385 CA GLY A 26 -6.179 -15.124 -5.025 1.00 0.00 C ATOM 386 C GLY A 26 -6.990 -13.826 -5.053 1.00 0.00 C ATOM 387 O GLY A 26 -7.589 -13.485 -6.072 1.00 0.00 O ATOM 0 H GLY A 26 -4.782 -14.440 -3.619 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.511 -15.158 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.850 -15.978 -5.109 1.00 0.00 H new ATOM 391 N ASP A 27 -6.984 -13.138 -3.920 1.00 0.00 N ATOM 392 CA ASP A 27 -7.712 -11.886 -3.802 1.00 0.00 C ATOM 393 C ASP A 27 -6.890 -10.762 -4.436 1.00 0.00 C ATOM 394 O ASP A 27 -5.749 -10.975 -4.840 1.00 0.00 O ATOM 395 CB ASP A 27 -7.954 -11.526 -2.334 1.00 0.00 C ATOM 396 CG ASP A 27 -9.091 -12.295 -1.659 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.391 -13.407 -2.144 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.636 -11.752 -0.674 1.00 0.00 O ATOM 0 H ASP A 27 -6.487 -13.424 -3.076 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.671 -12.004 -4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.035 -11.703 -1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.167 -10.459 -2.268 1.00 0.00 H new ATOM 403 N THR A 28 -7.504 -9.589 -4.502 1.00 0.00 N ATOM 404 CA THR A 28 -6.843 -8.431 -5.079 1.00 0.00 C ATOM 405 C THR A 28 -6.791 -7.286 -4.065 1.00 0.00 C ATOM 406 O THR A 28 -7.664 -7.172 -3.206 1.00 0.00 O ATOM 407 CB THR A 28 -7.574 -8.064 -6.372 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.857 -9.322 -6.979 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.665 -7.360 -7.380 1.00 0.00 C ATOM 0 H THR A 28 -8.451 -9.416 -4.166 1.00 0.00 H new ATOM 0 HA THR A 28 -5.805 -8.652 -5.327 1.00 0.00 H new ATOM 0 HB THR A 28 -8.423 -7.421 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.325 -9.418 -7.797 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.234 -7.122 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.279 -6.440 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.834 -8.015 -7.640 1.00 0.00 H new ATOM 417 N VAL A 29 -5.758 -6.466 -4.198 1.00 0.00 N ATOM 418 CA VAL A 29 -5.582 -5.334 -3.305 1.00 0.00 C ATOM 419 C VAL A 29 -5.344 -4.069 -4.132 1.00 0.00 C ATOM 420 O VAL A 29 -4.206 -3.756 -4.482 1.00 0.00 O ATOM 421 CB VAL A 29 -4.452 -5.621 -2.314 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.147 -4.391 -1.457 1.00 0.00 C ATOM 423 CG2 VAL A 29 -4.786 -6.830 -1.437 1.00 0.00 C ATOM 0 H VAL A 29 -5.035 -6.564 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.483 -5.171 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.557 -5.859 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.340 -4.623 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.845 -3.565 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.038 -4.108 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.967 -7.013 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.700 -6.632 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.930 -7.708 -2.067 1.00 0.00 H new ATOM 433 N GLU A 30 -6.435 -3.376 -4.421 1.00 0.00 N ATOM 434 CA GLU A 30 -6.360 -2.152 -5.200 1.00 0.00 C ATOM 435 C GLU A 30 -5.733 -1.031 -4.369 1.00 0.00 C ATOM 436 O GLU A 30 -5.574 -1.167 -3.158 1.00 0.00 O ATOM 437 CB GLU A 30 -7.741 -1.745 -5.718 1.00 0.00 C ATOM 438 CG GLU A 30 -7.624 -0.876 -6.972 1.00 0.00 C ATOM 439 CD GLU A 30 -8.080 0.556 -6.692 1.00 0.00 C ATOM 440 OE1 GLU A 30 -7.539 1.148 -5.732 1.00 0.00 O ATOM 441 OE2 GLU A 30 -8.960 1.029 -7.443 1.00 0.00 O ATOM 0 H GLU A 30 -7.376 -3.639 -4.130 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.724 -2.335 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.326 -2.637 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.278 -1.199 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.591 -0.871 -7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.228 -1.304 -7.772 1.00 0.00 H new ATOM 448 N PHE A 31 -5.394 0.052 -5.054 1.00 0.00 N ATOM 449 CA PHE A 31 -4.788 1.196 -4.394 1.00 0.00 C ATOM 450 C PHE A 31 -5.220 2.504 -5.059 1.00 0.00 C ATOM 451 O PHE A 31 -5.067 2.670 -6.268 1.00 0.00 O ATOM 452 CB PHE A 31 -3.273 1.042 -4.534 1.00 0.00 C ATOM 453 CG PHE A 31 -2.672 -0.046 -3.641 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.455 0.202 -2.321 1.00 0.00 C ATOM 455 CD2 PHE A 31 -2.356 -1.259 -4.166 1.00 0.00 C ATOM 456 CE1 PHE A 31 -1.898 -0.808 -1.492 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.799 -2.269 -3.337 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.581 -2.021 -2.017 1.00 0.00 C ATOM 0 H PHE A 31 -5.528 0.161 -6.059 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.098 1.231 -3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.036 0.816 -5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.798 1.994 -4.298 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.706 1.166 -1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.528 -1.455 -5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.726 -0.612 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.549 -3.233 -3.754 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.156 -2.788 -1.386 1.00 0.00 H new ATOM 468 N VAL A 32 -5.751 3.400 -4.240 1.00 0.00 N ATOM 469 CA VAL A 32 -6.205 4.689 -4.732 1.00 0.00 C ATOM 470 C VAL A 32 -5.767 5.786 -3.761 1.00 0.00 C ATOM 471 O VAL A 32 -5.672 5.552 -2.556 1.00 0.00 O ATOM 472 CB VAL A 32 -7.719 4.659 -4.957 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.469 4.599 -3.625 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.173 5.859 -5.789 1.00 0.00 C ATOM 0 H VAL A 32 -5.877 3.258 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.750 4.910 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.958 3.755 -5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.543 4.579 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.178 3.699 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.222 5.477 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.252 5.814 -5.934 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.915 6.781 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.675 5.839 -6.759 1.00 0.00 H new ATOM 484 N MET A 33 -5.511 6.960 -4.319 1.00 0.00 N ATOM 485 CA MET A 33 -5.085 8.094 -3.517 1.00 0.00 C ATOM 486 C MET A 33 -6.272 8.731 -2.794 1.00 0.00 C ATOM 487 O MET A 33 -7.165 9.289 -3.430 1.00 0.00 O ATOM 488 CB MET A 33 -4.417 9.134 -4.418 1.00 0.00 C ATOM 489 CG MET A 33 -2.893 9.017 -4.354 1.00 0.00 C ATOM 490 SD MET A 33 -2.139 10.457 -5.091 1.00 0.00 S ATOM 491 CE MET A 33 -2.954 11.745 -4.162 1.00 0.00 C ATOM 0 H MET A 33 -5.591 7.150 -5.318 1.00 0.00 H new ATOM 0 HA MET A 33 -4.376 7.740 -2.769 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.753 8.999 -5.446 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.722 10.135 -4.112 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.571 8.918 -3.317 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.567 8.118 -4.877 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.306 12.620 -4.107 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.887 12.015 -4.656 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.167 11.388 -3.155 1.00 0.00 H new ATOM 501 N ASN A 34 -6.246 8.627 -1.473 1.00 0.00 N ATOM 502 CA ASN A 34 -7.309 9.187 -0.656 1.00 0.00 C ATOM 503 C ASN A 34 -7.177 10.710 -0.628 1.00 0.00 C ATOM 504 O ASN A 34 -8.020 11.419 -1.175 1.00 0.00 O ATOM 505 CB ASN A 34 -7.223 8.678 0.785 1.00 0.00 C ATOM 506 CG ASN A 34 -8.614 8.572 1.413 1.00 0.00 C ATOM 507 OD1 ASN A 34 -9.190 7.504 1.533 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.119 9.738 1.806 1.00 0.00 N ATOM 0 H ASN A 34 -5.505 8.163 -0.948 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.262 8.884 -1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.737 7.702 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.604 9.352 1.376 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.042 9.774 2.238 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.583 10.596 1.676 1.00 0.00 H new ATOM 515 N LYS A 35 -6.113 11.168 0.015 1.00 0.00 N ATOM 516 CA LYS A 35 -5.861 12.595 0.121 1.00 0.00 C ATOM 517 C LYS A 35 -4.515 12.820 0.813 1.00 0.00 C ATOM 518 O LYS A 35 -4.125 12.046 1.687 1.00 0.00 O ATOM 519 CB LYS A 35 -7.032 13.297 0.810 1.00 0.00 C ATOM 520 CG LYS A 35 -6.776 14.801 0.930 1.00 0.00 C ATOM 521 CD LYS A 35 -7.186 15.318 2.311 1.00 0.00 C ATOM 522 CE LYS A 35 -7.902 16.667 2.200 1.00 0.00 C ATOM 523 NZ LYS A 35 -8.140 17.238 3.545 1.00 0.00 N ATOM 0 H LYS A 35 -5.416 10.577 0.468 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.790 13.044 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.948 13.124 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.184 12.870 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.720 15.009 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.334 15.331 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.841 14.593 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.303 15.421 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.302 17.357 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.851 16.540 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.963 17.873 3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.323 16.469 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.301 17.773 3.848 1.00 0.00 H new ATOM 537 N VAL A 36 -3.841 13.882 0.397 1.00 0.00 N ATOM 538 CA VAL A 36 -2.547 14.219 0.965 1.00 0.00 C ATOM 539 C VAL A 36 -1.454 13.440 0.231 1.00 0.00 C ATOM 540 O VAL A 36 -0.846 12.533 0.796 1.00 0.00 O ATOM 541 CB VAL A 36 -2.555 13.960 2.473 1.00 0.00 C ATOM 542 CG1 VAL A 36 -1.420 14.716 3.166 1.00 0.00 C ATOM 543 CG2 VAL A 36 -3.909 14.323 3.085 1.00 0.00 C ATOM 0 H VAL A 36 -4.167 14.521 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.336 15.280 0.831 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.392 12.894 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.449 14.514 4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.463 14.387 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.538 15.786 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.887 14.129 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.115 15.379 2.911 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.691 13.720 2.623 1.00 0.00 H new ATOM 553 N GLY A 37 -1.238 13.823 -1.019 1.00 0.00 N ATOM 554 CA GLY A 37 -0.228 13.172 -1.837 1.00 0.00 C ATOM 555 C GLY A 37 1.064 13.991 -1.868 1.00 0.00 C ATOM 556 O GLY A 37 1.205 14.962 -1.126 1.00 0.00 O ATOM 0 H GLY A 37 -1.745 14.575 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.022 12.177 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.605 13.042 -2.851 1.00 0.00 H new ATOM 560 N PRO A 38 1.998 13.556 -2.755 1.00 0.00 N ATOM 561 CA PRO A 38 1.750 12.397 -3.596 1.00 0.00 C ATOM 562 C PRO A 38 1.865 11.102 -2.789 1.00 0.00 C ATOM 563 O PRO A 38 2.229 11.127 -1.615 1.00 0.00 O ATOM 564 CB PRO A 38 2.778 12.494 -4.712 1.00 0.00 C ATOM 565 CG PRO A 38 3.856 13.438 -4.206 1.00 0.00 C ATOM 566 CD PRO A 38 3.311 14.155 -2.982 1.00 0.00 C ATOM 0 HA PRO A 38 0.739 12.381 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.195 11.514 -4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.325 12.874 -5.628 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.760 12.884 -3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.128 14.156 -4.979 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.963 14.018 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.232 15.228 -3.154 1.00 0.00 H new ATOM 574 N HIS A 39 1.546 10.000 -3.453 1.00 0.00 N ATOM 575 CA HIS A 39 1.608 8.697 -2.813 1.00 0.00 C ATOM 576 C HIS A 39 2.373 7.720 -3.709 1.00 0.00 C ATOM 577 O HIS A 39 2.962 8.123 -4.710 1.00 0.00 O ATOM 578 CB HIS A 39 0.206 8.200 -2.455 1.00 0.00 C ATOM 579 CG HIS A 39 -0.503 9.050 -1.429 1.00 0.00 C ATOM 580 ND1 HIS A 39 -0.357 8.860 -0.066 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.365 10.097 -1.581 1.00 0.00 C ATOM 582 CE1 HIS A 39 -1.102 9.757 0.565 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.726 10.523 -0.377 1.00 0.00 N ATOM 0 H HIS A 39 1.244 9.983 -4.427 1.00 0.00 H new ATOM 0 HA HIS A 39 2.153 8.776 -1.873 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.398 8.164 -3.362 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.278 7.179 -2.079 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.697 10.509 -2.522 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.198 9.863 1.635 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.364 11.295 -0.187 1.00 0.00 H new ATOM 591 N ASN A 40 2.337 6.455 -3.317 1.00 0.00 N ATOM 592 CA ASN A 40 3.019 5.418 -4.072 1.00 0.00 C ATOM 593 C ASN A 40 2.740 4.058 -3.430 1.00 0.00 C ATOM 594 O ASN A 40 1.843 3.933 -2.597 1.00 0.00 O ATOM 595 CB ASN A 40 4.532 5.641 -4.070 1.00 0.00 C ATOM 596 CG ASN A 40 5.123 5.387 -2.682 1.00 0.00 C ATOM 597 OD1 ASN A 40 4.495 5.617 -1.662 1.00 0.00 O ATOM 598 ND2 ASN A 40 6.360 4.901 -2.700 1.00 0.00 N ATOM 0 H ASN A 40 1.846 6.125 -2.486 1.00 0.00 H new ATOM 0 HA ASN A 40 2.651 5.450 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.002 4.977 -4.796 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.753 6.662 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.841 4.697 -1.824 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.828 4.732 -3.590 1.00 0.00 H new ATOM 605 N VAL A 41 3.524 3.073 -3.841 1.00 0.00 N ATOM 606 CA VAL A 41 3.374 1.727 -3.316 1.00 0.00 C ATOM 607 C VAL A 41 4.753 1.083 -3.168 1.00 0.00 C ATOM 608 O VAL A 41 5.246 0.441 -4.095 1.00 0.00 O ATOM 609 CB VAL A 41 2.430 0.919 -4.209 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.079 -0.423 -3.565 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.166 1.718 -4.535 1.00 0.00 C ATOM 0 H VAL A 41 4.266 3.180 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 41 2.921 1.753 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 41 2.949 0.715 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.407 -0.977 -4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.990 -1.000 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.589 -0.250 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.512 1.121 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.645 1.967 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.440 2.635 -5.056 1.00 0.00 H new ATOM 621 N ILE A 42 5.339 1.278 -1.996 1.00 0.00 N ATOM 622 CA ILE A 42 6.654 0.725 -1.715 1.00 0.00 C ATOM 623 C ILE A 42 6.563 -0.203 -0.501 1.00 0.00 C ATOM 624 O ILE A 42 6.593 0.257 0.638 1.00 0.00 O ATOM 625 CB ILE A 42 7.684 1.845 -1.558 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.935 2.551 -2.892 1.00 0.00 C ATOM 627 CG2 ILE A 42 8.978 1.315 -0.937 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.751 1.665 -3.836 1.00 0.00 C ATOM 0 H ILE A 42 4.928 1.811 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 42 7.001 0.121 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 42 7.278 2.589 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.983 2.805 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.465 3.488 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.694 2.131 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.765 0.896 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.399 0.540 -1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.915 2.190 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.712 1.433 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.207 0.740 -4.027 1.00 0.00 H new ATOM 640 N PHE A 43 6.454 -1.491 -0.788 1.00 0.00 N ATOM 641 CA PHE A 43 6.359 -2.487 0.266 1.00 0.00 C ATOM 642 C PHE A 43 7.644 -2.532 1.096 1.00 0.00 C ATOM 643 O PHE A 43 8.693 -2.071 0.648 1.00 0.00 O ATOM 644 CB PHE A 43 6.160 -3.843 -0.417 1.00 0.00 C ATOM 645 CG PHE A 43 4.848 -3.960 -1.195 1.00 0.00 C ATOM 646 CD1 PHE A 43 3.708 -4.335 -0.555 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.822 -3.691 -2.528 1.00 0.00 C ATOM 648 CE1 PHE A 43 2.491 -4.444 -1.278 1.00 0.00 C ATOM 649 CE2 PHE A 43 3.605 -3.799 -3.251 1.00 0.00 C ATOM 650 CZ PHE A 43 2.465 -4.174 -2.611 1.00 0.00 C ATOM 0 H PHE A 43 6.429 -1.869 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 43 5.534 -2.243 0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.992 -4.021 -1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.194 -4.628 0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.729 -4.550 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.728 -3.395 -3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.586 -4.741 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.584 -3.583 -4.309 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.539 -4.257 -3.161 1.00 0.00 H new ATOM 660 N ASP A 44 7.519 -3.089 2.290 1.00 0.00 N ATOM 661 CA ASP A 44 8.657 -3.200 3.188 1.00 0.00 C ATOM 662 C ASP A 44 9.379 -4.523 2.927 1.00 0.00 C ATOM 663 O ASP A 44 10.600 -4.550 2.783 1.00 0.00 O ATOM 664 CB ASP A 44 8.208 -3.185 4.651 1.00 0.00 C ATOM 665 CG ASP A 44 9.186 -2.519 5.620 1.00 0.00 C ATOM 666 OD1 ASP A 44 10.059 -3.249 6.138 1.00 0.00 O ATOM 667 OD2 ASP A 44 9.041 -1.293 5.821 1.00 0.00 O ATOM 0 H ASP A 44 6.647 -3.469 2.658 1.00 0.00 H new ATOM 0 HA ASP A 44 9.316 -2.351 3.005 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.249 -2.671 4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.042 -4.212 4.975 1.00 0.00 H new ATOM 672 N LYS A 45 8.593 -5.589 2.877 1.00 0.00 N ATOM 673 CA LYS A 45 9.143 -6.913 2.637 1.00 0.00 C ATOM 674 C LYS A 45 8.080 -7.966 2.954 1.00 0.00 C ATOM 675 O LYS A 45 7.278 -7.789 3.869 1.00 0.00 O ATOM 676 CB LYS A 45 10.446 -7.101 3.416 1.00 0.00 C ATOM 677 CG LYS A 45 11.648 -7.151 2.471 1.00 0.00 C ATOM 678 CD LYS A 45 12.951 -7.340 3.250 1.00 0.00 C ATOM 679 CE LYS A 45 13.369 -8.811 3.270 1.00 0.00 C ATOM 680 NZ LYS A 45 14.751 -8.964 2.761 1.00 0.00 N ATOM 0 H LYS A 45 7.581 -5.563 2.998 1.00 0.00 H new ATOM 0 HA LYS A 45 9.407 -7.032 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.571 -6.283 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.397 -8.022 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.523 -7.968 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.697 -6.230 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.740 -6.740 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.824 -6.980 4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.304 -9.200 4.286 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.683 -9.398 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.019 -9.969 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.802 -8.612 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.404 -8.419 3.360 1.00 0.00 H new ATOM 694 N VAL A 46 8.108 -9.041 2.179 1.00 0.00 N ATOM 695 CA VAL A 46 7.156 -10.123 2.364 1.00 0.00 C ATOM 696 C VAL A 46 7.914 -11.447 2.487 1.00 0.00 C ATOM 697 O VAL A 46 9.055 -11.556 2.043 1.00 0.00 O ATOM 698 CB VAL A 46 6.134 -10.122 1.225 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.419 -8.772 1.131 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.795 -10.488 -0.104 1.00 0.00 C ATOM 0 H VAL A 46 8.775 -9.185 1.421 1.00 0.00 H new ATOM 0 HA VAL A 46 6.593 -9.983 3.287 1.00 0.00 H new ATOM 0 HB VAL A 46 5.385 -10.882 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.698 -8.798 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.899 -8.570 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.150 -7.985 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.047 -10.480 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.575 -9.763 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.235 -11.483 -0.030 1.00 0.00 H new ATOM 710 N PRO A 47 7.229 -12.445 3.108 1.00 0.00 N ATOM 711 CA PRO A 47 7.826 -13.757 3.295 1.00 0.00 C ATOM 712 C PRO A 47 7.847 -14.541 1.982 1.00 0.00 C ATOM 713 O PRO A 47 7.111 -14.220 1.050 1.00 0.00 O ATOM 714 CB PRO A 47 6.982 -14.422 4.371 1.00 0.00 C ATOM 715 CG PRO A 47 5.675 -13.648 4.414 1.00 0.00 C ATOM 716 CD PRO A 47 5.876 -12.351 3.646 1.00 0.00 C ATOM 0 HA PRO A 47 8.871 -13.705 3.602 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.806 -15.472 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.486 -14.391 5.337 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.870 -14.234 3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.388 -13.441 5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.140 -12.244 2.849 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.768 -11.484 4.298 1.00 0.00 H new ATOM 724 N ALA A 48 8.699 -15.555 1.949 1.00 0.00 N ATOM 725 CA ALA A 48 8.826 -16.388 0.765 1.00 0.00 C ATOM 726 C ALA A 48 7.439 -16.634 0.168 1.00 0.00 C ATOM 727 O ALA A 48 6.486 -16.911 0.895 1.00 0.00 O ATOM 728 CB ALA A 48 9.541 -17.690 1.132 1.00 0.00 C ATOM 0 H ALA A 48 9.308 -15.819 2.723 1.00 0.00 H new ATOM 0 HA ALA A 48 9.427 -15.887 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.637 -18.315 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.532 -17.463 1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.964 -18.221 1.889 1.00 0.00 H new ATOM 734 N GLY A 49 7.370 -16.522 -1.151 1.00 0.00 N ATOM 735 CA GLY A 49 6.115 -16.728 -1.854 1.00 0.00 C ATOM 736 C GLY A 49 5.889 -15.637 -2.902 1.00 0.00 C ATOM 737 O GLY A 49 5.673 -15.934 -4.076 1.00 0.00 O ATOM 0 H GLY A 49 8.162 -16.291 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.120 -17.705 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.290 -16.729 -1.141 1.00 0.00 H new ATOM 741 N GLU A 50 5.947 -14.396 -2.441 1.00 0.00 N ATOM 742 CA GLU A 50 5.751 -13.260 -3.325 1.00 0.00 C ATOM 743 C GLU A 50 7.069 -12.509 -3.525 1.00 0.00 C ATOM 744 O GLU A 50 8.121 -12.966 -3.080 1.00 0.00 O ATOM 745 CB GLU A 50 4.666 -12.325 -2.783 1.00 0.00 C ATOM 746 CG GLU A 50 3.556 -12.120 -3.816 1.00 0.00 C ATOM 747 CD GLU A 50 3.576 -10.692 -4.366 1.00 0.00 C ATOM 748 OE1 GLU A 50 3.910 -9.783 -3.576 1.00 0.00 O ATOM 749 OE2 GLU A 50 3.259 -10.542 -5.566 1.00 0.00 O ATOM 0 H GLU A 50 6.127 -14.153 -1.467 1.00 0.00 H new ATOM 0 HA GLU A 50 5.416 -13.632 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.245 -12.742 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.107 -11.363 -2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.679 -12.830 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.587 -12.324 -3.360 1.00 0.00 H new ATOM 756 N SER A 51 6.970 -11.371 -4.196 1.00 0.00 N ATOM 757 CA SER A 51 8.142 -10.554 -4.460 1.00 0.00 C ATOM 758 C SER A 51 7.881 -9.110 -4.028 1.00 0.00 C ATOM 759 O SER A 51 7.628 -8.244 -4.864 1.00 0.00 O ATOM 760 CB SER A 51 8.524 -10.604 -5.940 1.00 0.00 C ATOM 761 OG SER A 51 8.740 -11.939 -6.392 1.00 0.00 O ATOM 0 H SER A 51 6.096 -10.995 -4.565 1.00 0.00 H new ATOM 0 HA SER A 51 8.976 -10.954 -3.883 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.734 -10.144 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.428 -10.016 -6.101 1.00 0.00 H new ATOM 0 HG SER A 51 8.980 -11.928 -7.342 1.00 0.00 H new ATOM 767 N ALA A 52 7.953 -8.895 -2.723 1.00 0.00 N ATOM 768 CA ALA A 52 7.728 -7.570 -2.169 1.00 0.00 C ATOM 769 C ALA A 52 8.682 -6.576 -2.833 1.00 0.00 C ATOM 770 O ALA A 52 8.251 -5.545 -3.349 1.00 0.00 O ATOM 771 CB ALA A 52 7.898 -7.616 -0.649 1.00 0.00 C ATOM 0 H ALA A 52 8.164 -9.616 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 52 6.710 -7.236 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.729 -6.622 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.177 -8.314 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.909 -7.944 -0.406 1.00 0.00 H new ATOM 777 N PRO A 53 9.995 -6.928 -2.798 1.00 0.00 N ATOM 778 CA PRO A 53 11.014 -6.078 -3.390 1.00 0.00 C ATOM 779 C PRO A 53 10.992 -6.178 -4.917 1.00 0.00 C ATOM 780 O PRO A 53 12.026 -6.406 -5.543 1.00 0.00 O ATOM 781 CB PRO A 53 12.324 -6.554 -2.783 1.00 0.00 C ATOM 782 CG PRO A 53 12.049 -7.944 -2.234 1.00 0.00 C ATOM 783 CD PRO A 53 10.542 -8.141 -2.197 1.00 0.00 C ATOM 0 HA PRO A 53 10.854 -5.020 -3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.115 -6.580 -3.533 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.656 -5.881 -1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.518 -8.702 -2.862 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.473 -8.051 -1.235 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.245 -9.029 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.185 -8.273 -1.176 1.00 0.00 H new ATOM 791 N ALA A 54 9.802 -6.003 -5.472 1.00 0.00 N ATOM 792 CA ALA A 54 9.632 -6.070 -6.914 1.00 0.00 C ATOM 793 C ALA A 54 8.340 -5.350 -7.304 1.00 0.00 C ATOM 794 O ALA A 54 8.321 -4.573 -8.258 1.00 0.00 O ATOM 795 CB ALA A 54 9.642 -7.534 -7.361 1.00 0.00 C ATOM 0 H ALA A 54 8.946 -5.815 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 54 10.455 -5.568 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.515 -7.585 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.592 -7.992 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.827 -8.069 -6.874 1.00 0.00 H new ATOM 801 N LEU A 55 7.290 -5.635 -6.549 1.00 0.00 N ATOM 802 CA LEU A 55 5.996 -5.024 -6.803 1.00 0.00 C ATOM 803 C LEU A 55 6.071 -3.529 -6.488 1.00 0.00 C ATOM 804 O LEU A 55 5.328 -2.731 -7.059 1.00 0.00 O ATOM 805 CB LEU A 55 4.895 -5.759 -6.036 1.00 0.00 C ATOM 806 CG LEU A 55 4.315 -6.999 -6.719 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.711 -7.959 -5.692 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.306 -6.608 -7.801 1.00 0.00 C ATOM 0 H LEU A 55 7.308 -6.282 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 55 5.733 -5.115 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.292 -6.056 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.081 -5.059 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 55 5.129 -7.528 -7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.306 -8.832 -6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.484 -8.276 -4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.913 -7.454 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.909 -7.508 -8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.490 -6.044 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.800 -5.993 -8.554 1.00 0.00 H new ATOM 820 N SER A 56 6.976 -3.193 -5.580 1.00 0.00 N ATOM 821 CA SER A 56 7.159 -1.808 -5.182 1.00 0.00 C ATOM 822 C SER A 56 7.277 -0.918 -6.421 1.00 0.00 C ATOM 823 O SER A 56 8.258 -1.000 -7.158 1.00 0.00 O ATOM 824 CB SER A 56 8.396 -1.647 -4.295 1.00 0.00 C ATOM 825 OG SER A 56 8.533 -2.724 -3.372 1.00 0.00 O ATOM 0 H SER A 56 7.591 -3.857 -5.109 1.00 0.00 H new ATOM 0 HA SER A 56 6.288 -1.502 -4.603 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.286 -1.590 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.330 -0.706 -3.748 1.00 0.00 H new ATOM 0 HG SER A 56 9.334 -2.586 -2.825 1.00 0.00 H new ATOM 831 N ASN A 57 6.261 -0.088 -6.613 1.00 0.00 N ATOM 832 CA ASN A 57 6.238 0.815 -7.750 1.00 0.00 C ATOM 833 C ASN A 57 6.512 2.242 -7.269 1.00 0.00 C ATOM 834 O ASN A 57 5.772 2.775 -6.444 1.00 0.00 O ATOM 835 CB ASN A 57 4.871 0.803 -8.437 1.00 0.00 C ATOM 836 CG ASN A 57 5.012 0.544 -9.938 1.00 0.00 C ATOM 837 OD1 ASN A 57 4.580 -0.469 -10.463 1.00 0.00 O ATOM 838 ND2 ASN A 57 5.642 1.512 -10.596 1.00 0.00 N ATOM 0 H ASN A 57 5.448 -0.023 -6.000 1.00 0.00 H new ATOM 0 HA ASN A 57 7.000 0.485 -8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.242 0.033 -7.989 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.371 1.758 -8.275 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.789 1.433 -11.602 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.978 2.334 -10.095 1.00 0.00 H new ATOM 845 N THR A 58 7.579 2.818 -7.804 1.00 0.00 N ATOM 846 CA THR A 58 7.959 4.172 -7.439 1.00 0.00 C ATOM 847 C THR A 58 7.294 5.184 -8.374 1.00 0.00 C ATOM 848 O THR A 58 7.783 6.300 -8.536 1.00 0.00 O ATOM 849 CB THR A 58 9.488 4.251 -7.447 1.00 0.00 C ATOM 850 OG1 THR A 58 9.769 5.579 -7.012 1.00 0.00 O ATOM 851 CG2 THR A 58 10.069 4.191 -8.861 1.00 0.00 C ATOM 0 H THR A 58 8.192 2.372 -8.487 1.00 0.00 H new ATOM 0 HA THR A 58 7.610 4.425 -6.438 1.00 0.00 H new ATOM 0 HB THR A 58 9.897 3.435 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.102 6.193 -7.384 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.156 4.251 -8.810 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.779 3.253 -9.334 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.687 5.027 -9.447 1.00 0.00 H new ATOM 859 N LYS A 59 6.187 4.757 -8.963 1.00 0.00 N ATOM 860 CA LYS A 59 5.448 5.611 -9.877 1.00 0.00 C ATOM 861 C LYS A 59 4.487 6.494 -9.078 1.00 0.00 C ATOM 862 O LYS A 59 3.279 6.465 -9.304 1.00 0.00 O ATOM 863 CB LYS A 59 4.760 4.773 -10.956 1.00 0.00 C ATOM 864 CG LYS A 59 4.064 5.668 -11.984 1.00 0.00 C ATOM 865 CD LYS A 59 3.452 4.834 -13.112 1.00 0.00 C ATOM 866 CE LYS A 59 3.747 5.458 -14.477 1.00 0.00 C ATOM 867 NZ LYS A 59 2.730 5.042 -15.468 1.00 0.00 N ATOM 0 H LYS A 59 5.784 3.830 -8.825 1.00 0.00 H new ATOM 0 HA LYS A 59 6.127 6.277 -10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.495 4.143 -11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.030 4.107 -10.495 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.285 6.252 -11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.781 6.377 -12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.851 3.820 -13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.374 4.757 -12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.757 6.545 -14.392 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.738 5.155 -14.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.945 5.475 -16.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.739 4.006 -15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.789 5.352 -15.151 1.00 0.00 H new ATOM 881 N LEU A 60 5.061 7.261 -8.161 1.00 0.00 N ATOM 882 CA LEU A 60 4.271 8.150 -7.328 1.00 0.00 C ATOM 883 C LEU A 60 3.418 9.054 -8.221 1.00 0.00 C ATOM 884 O LEU A 60 3.949 9.815 -9.029 1.00 0.00 O ATOM 885 CB LEU A 60 5.171 8.917 -6.359 1.00 0.00 C ATOM 886 CG LEU A 60 6.562 9.282 -6.881 1.00 0.00 C ATOM 887 CD1 LEU A 60 6.929 10.719 -6.506 1.00 0.00 C ATOM 888 CD2 LEU A 60 7.611 8.278 -6.397 1.00 0.00 C ATOM 0 H LEU A 60 6.064 7.284 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 60 3.585 7.577 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.661 9.836 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.289 8.320 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 60 6.543 9.228 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.922 10.953 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.202 11.405 -6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.925 10.824 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.591 8.561 -6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.637 8.275 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.354 7.282 -6.756 1.00 0.00 H new ATOM 900 N ALA A 61 2.109 8.942 -8.045 1.00 0.00 N ATOM 901 CA ALA A 61 1.178 9.739 -8.824 1.00 0.00 C ATOM 902 C ALA A 61 0.992 11.101 -8.151 1.00 0.00 C ATOM 903 O ALA A 61 0.559 11.175 -7.003 1.00 0.00 O ATOM 904 CB ALA A 61 -0.141 8.979 -8.978 1.00 0.00 C ATOM 0 H ALA A 61 1.672 8.311 -7.374 1.00 0.00 H new ATOM 0 HA ALA A 61 1.570 9.917 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.840 9.577 -9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.042 8.033 -9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.566 8.784 -7.993 1.00 0.00 H new ATOM 910 N ILE A 62 1.327 12.144 -8.896 1.00 0.00 N ATOM 911 CA ILE A 62 1.202 13.499 -8.385 1.00 0.00 C ATOM 912 C ILE A 62 -0.279 13.852 -8.247 1.00 0.00 C ATOM 913 O ILE A 62 -0.699 14.393 -7.225 1.00 0.00 O ATOM 914 CB ILE A 62 1.989 14.476 -9.261 1.00 0.00 C ATOM 915 CG1 ILE A 62 3.411 13.969 -9.508 1.00 0.00 C ATOM 916 CG2 ILE A 62 1.978 15.883 -8.659 1.00 0.00 C ATOM 917 CD1 ILE A 62 4.096 13.595 -8.192 1.00 0.00 C ATOM 0 H ILE A 62 1.685 12.079 -9.849 1.00 0.00 H new ATOM 0 HA ILE A 62 1.642 13.574 -7.390 1.00 0.00 H new ATOM 0 HB ILE A 62 1.497 14.537 -10.232 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.382 13.101 -10.167 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.991 14.737 -10.019 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.544 16.558 -9.301 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.950 16.236 -8.578 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.432 15.858 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.105 13.238 -8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.145 14.471 -7.545 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.526 12.809 -7.696 1.00 0.00 H new ATOM 929 N ALA A 63 -1.031 13.532 -9.290 1.00 0.00 N ATOM 930 CA ALA A 63 -2.457 13.809 -9.298 1.00 0.00 C ATOM 931 C ALA A 63 -3.198 12.664 -8.606 1.00 0.00 C ATOM 932 O ALA A 63 -2.725 11.528 -8.596 1.00 0.00 O ATOM 933 CB ALA A 63 -2.928 14.023 -10.738 1.00 0.00 C ATOM 0 H ALA A 63 -0.679 13.083 -10.136 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.673 14.723 -8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.998 14.231 -10.744 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.392 14.866 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.730 13.125 -11.323 1.00 0.00 H new ATOM 939 N PRO A 64 -4.380 13.010 -8.029 1.00 0.00 N ATOM 940 CA PRO A 64 -5.193 12.024 -7.336 1.00 0.00 C ATOM 941 C PRO A 64 -5.907 11.105 -8.330 1.00 0.00 C ATOM 942 O PRO A 64 -6.507 11.576 -9.295 1.00 0.00 O ATOM 943 CB PRO A 64 -6.152 12.835 -6.481 1.00 0.00 C ATOM 944 CG PRO A 64 -6.157 14.235 -7.073 1.00 0.00 C ATOM 945 CD PRO A 64 -4.973 14.343 -8.021 1.00 0.00 C ATOM 0 HA PRO A 64 -4.601 11.351 -6.716 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.152 12.401 -6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.828 12.852 -5.440 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.090 14.422 -7.604 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.084 14.984 -6.284 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.292 14.640 -9.020 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.259 15.092 -7.678 1.00 0.00 H new ATOM 953 N GLY A 65 -5.819 9.811 -8.060 1.00 0.00 N ATOM 954 CA GLY A 65 -6.449 8.823 -8.918 1.00 0.00 C ATOM 955 C GLY A 65 -6.175 7.405 -8.415 1.00 0.00 C ATOM 956 O GLY A 65 -5.316 7.201 -7.559 1.00 0.00 O ATOM 0 H GLY A 65 -5.321 9.424 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.524 8.999 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.076 8.930 -9.936 1.00 0.00 H new ATOM 960 N SER A 66 -6.924 6.460 -8.965 1.00 0.00 N ATOM 961 CA SER A 66 -6.772 5.067 -8.583 1.00 0.00 C ATOM 962 C SER A 66 -5.514 4.481 -9.225 1.00 0.00 C ATOM 963 O SER A 66 -5.543 4.054 -10.379 1.00 0.00 O ATOM 964 CB SER A 66 -8.003 4.250 -8.982 1.00 0.00 C ATOM 965 OG SER A 66 -7.905 2.894 -8.555 1.00 0.00 O ATOM 0 H SER A 66 -7.638 6.632 -9.673 1.00 0.00 H new ATOM 0 HA SER A 66 -6.673 5.019 -7.499 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.895 4.703 -8.549 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.124 4.281 -10.065 1.00 0.00 H new ATOM 0 HG SER A 66 -8.793 2.565 -8.304 1.00 0.00 H new ATOM 971 N PHE A 67 -4.438 4.480 -8.452 1.00 0.00 N ATOM 972 CA PHE A 67 -3.172 3.954 -8.932 1.00 0.00 C ATOM 973 C PHE A 67 -3.389 2.720 -9.811 1.00 0.00 C ATOM 974 O PHE A 67 -3.475 2.833 -11.033 1.00 0.00 O ATOM 975 CB PHE A 67 -2.360 3.551 -7.700 1.00 0.00 C ATOM 976 CG PHE A 67 -1.440 4.654 -7.173 1.00 0.00 C ATOM 977 CD1 PHE A 67 -0.460 5.160 -7.968 1.00 0.00 C ATOM 978 CD2 PHE A 67 -1.602 5.128 -5.909 1.00 0.00 C ATOM 979 CE1 PHE A 67 0.395 6.183 -7.480 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.749 6.152 -5.420 1.00 0.00 C ATOM 981 CZ PHE A 67 0.232 6.658 -6.215 1.00 0.00 C ATOM 0 H PHE A 67 -4.417 4.835 -7.496 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.658 4.707 -9.530 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.046 3.254 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.758 2.676 -7.945 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.332 4.783 -8.972 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.380 4.725 -5.277 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.174 6.584 -8.112 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.879 6.529 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.881 7.436 -5.842 1.00 0.00 H new ATOM 991 N TYR A 68 -3.471 1.572 -9.155 1.00 0.00 N ATOM 992 CA TYR A 68 -3.676 0.319 -9.861 1.00 0.00 C ATOM 993 C TYR A 68 -4.031 -0.807 -8.889 1.00 0.00 C ATOM 994 O TYR A 68 -4.008 -0.613 -7.674 1.00 0.00 O ATOM 995 CB TYR A 68 -2.341 -0.007 -10.536 1.00 0.00 C ATOM 996 CG TYR A 68 -1.122 0.204 -9.637 1.00 0.00 C ATOM 997 CD1 TYR A 68 -0.843 -0.696 -8.628 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.298 1.295 -9.836 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.305 -0.497 -7.782 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.850 1.493 -8.990 1.00 0.00 C ATOM 1001 CZ TYR A 68 1.094 0.588 -8.005 1.00 0.00 C ATOM 1002 OH TYR A 68 2.179 0.775 -7.206 1.00 0.00 O ATOM 0 H TYR A 68 -3.399 1.483 -8.141 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.495 0.410 -10.575 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.358 -1.044 -10.870 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.235 0.613 -11.426 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.486 -1.550 -8.473 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.515 1.999 -10.626 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.534 -1.193 -6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.503 2.341 -9.135 1.00 0.00 H new ATOM 0 HH TYR A 68 2.270 1.728 -6.996 1.00 0.00 H new ATOM 1012 N SER A 69 -4.351 -1.958 -9.459 1.00 0.00 N ATOM 1013 CA SER A 69 -4.711 -3.116 -8.657 1.00 0.00 C ATOM 1014 C SER A 69 -3.795 -4.295 -8.999 1.00 0.00 C ATOM 1015 O SER A 69 -3.310 -4.402 -10.123 1.00 0.00 O ATOM 1016 CB SER A 69 -6.175 -3.502 -8.874 1.00 0.00 C ATOM 1017 OG SER A 69 -6.900 -2.484 -9.559 1.00 0.00 O ATOM 0 H SER A 69 -4.369 -2.115 -10.467 1.00 0.00 H new ATOM 0 HA SER A 69 -4.583 -2.857 -7.606 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.225 -4.429 -9.445 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.645 -3.696 -7.910 1.00 0.00 H new ATOM 0 HG SER A 69 -7.830 -2.769 -9.680 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.588 -5.147 -8.007 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.739 -6.314 -8.189 1.00 0.00 C ATOM 1025 C VAL A 70 -3.291 -7.474 -7.359 1.00 0.00 C ATOM 1026 O VAL A 70 -3.677 -7.289 -6.205 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.291 -5.966 -7.840 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.744 -4.892 -8.783 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.168 -5.527 -6.380 1.00 0.00 C ATOM 0 H VAL A 70 -3.992 -5.054 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.741 -6.630 -9.232 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.690 -6.866 -7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.287 -4.662 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.778 -5.257 -9.809 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.351 -3.990 -8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.128 -5.286 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.789 -4.647 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.499 -6.335 -5.728 1.00 0.00 H new ATOM 1039 N THR A 71 -3.311 -8.645 -7.977 1.00 0.00 N ATOM 1040 CA THR A 71 -3.809 -9.836 -7.311 1.00 0.00 C ATOM 1041 C THR A 71 -2.662 -10.584 -6.628 1.00 0.00 C ATOM 1042 O THR A 71 -1.646 -10.876 -7.255 1.00 0.00 O ATOM 1043 CB THR A 71 -4.554 -10.681 -8.345 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.819 -10.036 -8.475 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.901 -12.078 -7.822 1.00 0.00 C ATOM 0 H THR A 71 -2.990 -8.795 -8.933 1.00 0.00 H new ATOM 0 HA THR A 71 -4.509 -9.580 -6.515 1.00 0.00 H new ATOM 0 HB THR A 71 -3.946 -10.771 -9.245 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.774 -9.369 -9.192 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.429 -12.635 -8.596 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.985 -12.605 -7.556 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.537 -11.989 -6.941 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.865 -10.873 -5.350 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.860 -11.581 -4.575 1.00 0.00 C ATOM 1055 C LEU A 72 -2.278 -13.046 -4.423 1.00 0.00 C ATOM 1056 O LEU A 72 -3.378 -13.425 -4.822 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.613 -10.872 -3.242 1.00 0.00 C ATOM 1058 CG LEU A 72 -1.022 -9.463 -3.332 1.00 0.00 C ATOM 1059 CD1 LEU A 72 0.476 -9.515 -3.639 1.00 0.00 C ATOM 1060 CD2 LEU A 72 -1.786 -8.613 -4.349 1.00 0.00 C ATOM 0 H LEU A 72 -3.710 -10.630 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.903 -11.574 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.559 -10.814 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.942 -11.489 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.135 -8.982 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.871 -8.501 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.991 -10.060 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.635 -10.022 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.346 -7.617 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.726 -9.081 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.830 -8.535 -4.047 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.378 -13.828 -3.846 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.639 -15.242 -3.638 1.00 0.00 C ATOM 1074 C GLY A 73 -0.837 -15.778 -2.450 1.00 0.00 C ATOM 1075 O GLY A 73 -1.398 -16.399 -1.547 1.00 0.00 O ATOM 0 H GLY A 73 -0.467 -13.509 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.704 -15.397 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.380 -15.800 -4.538 1.00 0.00 H new ATOM 1079 N THR A 74 0.461 -15.519 -2.489 1.00 0.00 N ATOM 1080 CA THR A 74 1.346 -15.968 -1.428 1.00 0.00 C ATOM 1081 C THR A 74 0.743 -15.645 -0.058 1.00 0.00 C ATOM 1082 O THR A 74 0.413 -14.494 0.222 1.00 0.00 O ATOM 1083 CB THR A 74 2.718 -15.330 -1.653 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.408 -16.270 -2.472 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.553 -15.266 -0.372 1.00 0.00 C ATOM 0 H THR A 74 0.922 -15.004 -3.239 1.00 0.00 H new ATOM 0 HA THR A 74 1.469 -17.051 -1.448 1.00 0.00 H new ATOM 0 HB THR A 74 2.589 -14.324 -2.051 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.244 -16.064 -3.416 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.517 -14.805 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.027 -14.673 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.711 -16.275 0.010 1.00 0.00 H new ATOM 1093 N PRO A 75 0.615 -16.709 0.779 1.00 0.00 N ATOM 1094 CA PRO A 75 0.058 -16.550 2.111 1.00 0.00 C ATOM 1095 C PRO A 75 1.066 -15.888 3.052 1.00 0.00 C ATOM 1096 O PRO A 75 2.262 -16.172 2.985 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.327 -17.954 2.546 1.00 0.00 C ATOM 1098 CG PRO A 75 0.448 -18.899 1.642 1.00 0.00 C ATOM 1099 CD PRO A 75 0.994 -18.087 0.480 1.00 0.00 C ATOM 0 HA PRO A 75 -0.809 -15.890 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.075 -18.121 3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.401 -18.113 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.261 -19.373 2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.199 -19.697 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.076 -18.191 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.569 -18.418 -0.468 1.00 0.00 H new ATOM 1107 N GLY A 76 0.548 -15.018 3.905 1.00 0.00 N ATOM 1108 CA GLY A 76 1.389 -14.314 4.858 1.00 0.00 C ATOM 1109 C GLY A 76 0.941 -12.858 5.013 1.00 0.00 C ATOM 1110 O GLY A 76 -0.027 -12.432 4.385 1.00 0.00 O ATOM 0 H GLY A 76 -0.443 -14.784 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.348 -14.816 5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.427 -14.346 4.526 1.00 0.00 H new ATOM 1114 N THR A 77 1.666 -12.135 5.855 1.00 0.00 N ATOM 1115 CA THR A 77 1.356 -10.738 6.100 1.00 0.00 C ATOM 1116 C THR A 77 2.345 -9.834 5.363 1.00 0.00 C ATOM 1117 O THR A 77 3.553 -9.919 5.584 1.00 0.00 O ATOM 1118 CB THR A 77 1.342 -10.515 7.614 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.642 -9.286 7.778 1.00 0.00 O ATOM 1120 CG2 THR A 77 2.736 -10.229 8.177 1.00 0.00 C ATOM 0 H THR A 77 2.467 -12.492 6.376 1.00 0.00 H new ATOM 0 HA THR A 77 0.373 -10.478 5.709 1.00 0.00 H new ATOM 0 HB THR A 77 0.926 -11.394 8.106 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.585 -9.067 8.731 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.669 -10.078 9.255 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.393 -11.073 7.968 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.140 -9.331 7.710 1.00 0.00 H new ATOM 1128 N TYR A 78 1.798 -8.989 4.501 1.00 0.00 N ATOM 1129 CA TYR A 78 2.618 -8.071 3.730 1.00 0.00 C ATOM 1130 C TYR A 78 2.650 -6.686 4.381 1.00 0.00 C ATOM 1131 O TYR A 78 1.615 -6.168 4.796 1.00 0.00 O ATOM 1132 CB TYR A 78 1.951 -7.961 2.358 1.00 0.00 C ATOM 1133 CG TYR A 78 1.963 -9.263 1.553 1.00 0.00 C ATOM 1134 CD1 TYR A 78 1.284 -10.369 2.020 1.00 0.00 C ATOM 1135 CD2 TYR A 78 2.655 -9.330 0.361 1.00 0.00 C ATOM 1136 CE1 TYR A 78 1.295 -11.594 1.263 1.00 0.00 C ATOM 1137 CE2 TYR A 78 2.667 -10.555 -0.396 1.00 0.00 C ATOM 1138 CZ TYR A 78 1.987 -11.627 0.093 1.00 0.00 C ATOM 1139 OH TYR A 78 1.998 -12.783 -0.621 1.00 0.00 O ATOM 0 H TYR A 78 0.797 -8.921 4.320 1.00 0.00 H new ATOM 0 HA TYR A 78 3.645 -8.432 3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.918 -7.639 2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.455 -7.185 1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.744 -10.316 2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.187 -8.464 -0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.766 -12.467 1.616 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.204 -10.621 -1.331 1.00 0.00 H new ATOM 0 HH TYR A 78 1.193 -13.302 -0.415 1.00 0.00 H new ATOM 1149 N SER A 79 3.849 -6.128 4.448 1.00 0.00 N ATOM 1150 CA SER A 79 4.030 -4.813 5.041 1.00 0.00 C ATOM 1151 C SER A 79 4.480 -3.814 3.972 1.00 0.00 C ATOM 1152 O SER A 79 5.171 -4.184 3.024 1.00 0.00 O ATOM 1153 CB SER A 79 5.044 -4.859 6.185 1.00 0.00 C ATOM 1154 OG SER A 79 6.103 -5.777 5.923 1.00 0.00 O ATOM 0 H SER A 79 4.705 -6.562 4.102 1.00 0.00 H new ATOM 0 HA SER A 79 3.074 -4.489 5.452 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.458 -3.863 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.537 -5.143 7.107 1.00 0.00 H new ATOM 0 HG SER A 79 6.730 -5.776 6.676 1.00 0.00 H new ATOM 1160 N PHE A 80 4.070 -2.569 4.162 1.00 0.00 N ATOM 1161 CA PHE A 80 4.423 -1.515 3.226 1.00 0.00 C ATOM 1162 C PHE A 80 4.447 -0.152 3.920 1.00 0.00 C ATOM 1163 O PHE A 80 4.094 -0.041 5.093 1.00 0.00 O ATOM 1164 CB PHE A 80 3.347 -1.503 2.140 1.00 0.00 C ATOM 1165 CG PHE A 80 1.935 -1.788 2.658 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.548 -3.068 2.904 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.070 -0.762 2.873 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.239 -3.333 3.386 1.00 0.00 C ATOM 1169 CE2 PHE A 80 -0.240 -1.027 3.355 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.627 -2.307 3.601 1.00 0.00 C ATOM 0 H PHE A 80 3.497 -2.266 4.950 1.00 0.00 H new ATOM 0 HA PHE A 80 5.415 -1.700 2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.353 -0.530 1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.602 -2.245 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.236 -3.883 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.378 0.254 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.069 -4.350 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.928 -0.212 3.526 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.623 -2.509 3.967 1.00 0.00 H new ATOM 1180 N TYR A 81 4.866 0.854 3.166 1.00 0.00 N ATOM 1181 CA TYR A 81 4.940 2.205 3.693 1.00 0.00 C ATOM 1182 C TYR A 81 5.063 3.230 2.562 1.00 0.00 C ATOM 1183 O TYR A 81 5.495 2.894 1.461 1.00 0.00 O ATOM 1184 CB TYR A 81 6.207 2.255 4.550 1.00 0.00 C ATOM 1185 CG TYR A 81 7.495 1.973 3.773 1.00 0.00 C ATOM 1186 CD1 TYR A 81 8.010 2.927 2.919 1.00 0.00 C ATOM 1187 CD2 TYR A 81 8.141 0.763 3.925 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.221 2.661 2.188 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.354 0.497 3.195 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.834 1.459 2.362 1.00 0.00 C ATOM 1191 OH TYR A 81 10.978 1.207 1.671 1.00 0.00 O ATOM 0 H TYR A 81 5.158 0.760 2.193 1.00 0.00 H new ATOM 0 HA TYR A 81 4.041 2.445 4.261 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.282 3.239 5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.116 1.529 5.358 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.504 3.874 2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.737 0.015 4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.634 3.399 1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.871 -0.445 3.307 1.00 0.00 H new ATOM 0 HH TYR A 81 11.305 0.311 1.895 1.00 0.00 H new ATOM 1201 N CYS A 82 4.675 4.457 2.875 1.00 0.00 N ATOM 1202 CA CYS A 82 4.735 5.532 1.899 1.00 0.00 C ATOM 1203 C CYS A 82 6.159 6.093 1.890 1.00 0.00 C ATOM 1204 O CYS A 82 6.720 6.388 2.943 1.00 0.00 O ATOM 1205 CB CYS A 82 3.696 6.618 2.188 1.00 0.00 C ATOM 1206 SG CYS A 82 2.735 7.167 0.730 1.00 0.00 S ATOM 0 H CYS A 82 4.318 4.731 3.790 1.00 0.00 H new ATOM 0 HA CYS A 82 4.492 5.143 0.910 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.003 6.247 2.943 1.00 0.00 H new ATOM 0 HB3 CYS A 82 4.203 7.482 2.618 1.00 0.00 H new ATOM 1211 N THR A 83 6.702 6.223 0.688 1.00 0.00 N ATOM 1212 CA THR A 83 8.050 6.742 0.528 1.00 0.00 C ATOM 1213 C THR A 83 8.129 8.182 1.038 1.00 0.00 C ATOM 1214 O THR A 83 9.010 8.517 1.828 1.00 0.00 O ATOM 1215 CB THR A 83 8.440 6.596 -0.944 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.304 5.463 -0.963 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.324 7.745 -1.432 1.00 0.00 C ATOM 0 H THR A 83 6.233 5.978 -0.184 1.00 0.00 H new ATOM 0 HA THR A 83 8.766 6.178 1.126 1.00 0.00 H new ATOM 0 HB THR A 83 7.539 6.546 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.603 5.295 -1.881 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.572 7.593 -2.482 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.790 8.688 -1.318 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.241 7.774 -0.843 1.00 0.00 H new ATOM 1225 N PRO A 84 7.173 9.018 0.550 1.00 0.00 N ATOM 1226 CA PRO A 84 7.126 10.415 0.949 1.00 0.00 C ATOM 1227 C PRO A 84 6.581 10.562 2.371 1.00 0.00 C ATOM 1228 O PRO A 84 7.172 11.255 3.197 1.00 0.00 O ATOM 1229 CB PRO A 84 6.255 11.093 -0.095 1.00 0.00 C ATOM 1230 CG PRO A 84 5.469 9.979 -0.769 1.00 0.00 C ATOM 1231 CD PRO A 84 6.115 8.657 -0.387 1.00 0.00 C ATOM 0 HA PRO A 84 8.113 10.876 0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.586 11.819 0.366 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.863 11.635 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.427 10.001 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.475 10.108 -1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.393 7.982 0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.518 8.146 -1.261 1.00 0.00 H new ATOM 1239 N HIS A 85 5.460 9.900 2.611 1.00 0.00 N ATOM 1240 CA HIS A 85 4.828 9.948 3.919 1.00 0.00 C ATOM 1241 C HIS A 85 5.406 8.847 4.810 1.00 0.00 C ATOM 1242 O HIS A 85 4.665 8.150 5.501 1.00 0.00 O ATOM 1243 CB HIS A 85 3.305 9.868 3.790 1.00 0.00 C ATOM 1244 CG HIS A 85 2.714 10.888 2.846 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.032 10.537 1.694 1.00 0.00 N ATOM 1246 CD2 HIS A 85 2.709 12.251 2.897 1.00 0.00 C ATOM 1247 CE1 HIS A 85 1.641 11.647 1.085 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.061 12.708 1.832 1.00 0.00 N ATOM 0 H HIS A 85 4.972 9.327 1.922 1.00 0.00 H new ATOM 0 HA HIS A 85 5.045 10.904 4.396 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.032 8.870 3.448 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.860 10.000 4.776 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.156 12.856 3.672 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.087 11.702 0.160 1.00 0.00 H new ATOM 0 HE2 HIS A 85 1.903 13.691 1.609 1.00 0.00 H new ATOM 1256 N ARG A 86 6.724 8.724 4.764 1.00 0.00 N ATOM 1257 CA ARG A 86 7.411 7.720 5.559 1.00 0.00 C ATOM 1258 C ARG A 86 7.603 8.217 6.992 1.00 0.00 C ATOM 1259 O ARG A 86 7.471 7.449 7.943 1.00 0.00 O ATOM 1260 CB ARG A 86 8.775 7.380 4.957 1.00 0.00 C ATOM 1261 CG ARG A 86 9.734 8.568 5.066 1.00 0.00 C ATOM 1262 CD ARG A 86 11.024 8.305 4.286 1.00 0.00 C ATOM 1263 NE ARG A 86 12.177 8.895 5.003 1.00 0.00 N ATOM 1264 CZ ARG A 86 13.445 8.485 4.851 1.00 0.00 C ATOM 1265 NH1 ARG A 86 13.729 7.483 4.008 1.00 0.00 N ATOM 1266 NH2 ARG A 86 14.427 9.078 5.543 1.00 0.00 N ATOM 0 H ARG A 86 7.335 9.303 4.188 1.00 0.00 H new ATOM 0 HA ARG A 86 6.794 6.821 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.199 6.518 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.655 7.100 3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.250 9.467 4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.970 8.755 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.172 7.232 4.163 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.948 8.733 3.287 1.00 0.00 H new ATOM 0 HE ARG A 86 11.996 9.660 5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.981 7.032 3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.693 7.171 3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 86 14.210 9.841 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.392 8.767 5.428 1.00 0.00 H new ATOM 1280 N GLY A 87 7.911 9.501 7.103 1.00 0.00 N ATOM 1281 CA GLY A 87 8.123 10.111 8.405 1.00 0.00 C ATOM 1282 C GLY A 87 6.807 10.633 8.987 1.00 0.00 C ATOM 1283 O GLY A 87 6.630 10.661 10.204 1.00 0.00 O ATOM 0 H GLY A 87 8.019 10.136 6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.562 9.381 9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.835 10.931 8.315 1.00 0.00 H new ATOM 1287 N ALA A 88 5.919 11.032 8.090 1.00 0.00 N ATOM 1288 CA ALA A 88 4.624 11.552 8.498 1.00 0.00 C ATOM 1289 C ALA A 88 3.823 10.438 9.176 1.00 0.00 C ATOM 1290 O ALA A 88 2.820 10.704 9.837 1.00 0.00 O ATOM 1291 CB ALA A 88 3.901 12.133 7.282 1.00 0.00 C ATOM 0 H ALA A 88 6.070 11.006 7.082 1.00 0.00 H new ATOM 0 HA ALA A 88 4.745 12.359 9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.930 12.523 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.498 12.939 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.759 11.352 6.535 1.00 0.00 H new ATOM 1297 N GLY A 89 4.296 9.214 8.988 1.00 0.00 N ATOM 1298 CA GLY A 89 3.636 8.059 9.572 1.00 0.00 C ATOM 1299 C GLY A 89 2.509 7.556 8.669 1.00 0.00 C ATOM 1300 O GLY A 89 1.354 7.949 8.832 1.00 0.00 O ATOM 0 H GLY A 89 5.128 8.998 8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.363 7.262 9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.233 8.322 10.550 1.00 0.00 H new ATOM 1304 N MET A 90 2.882 6.695 7.734 1.00 0.00 N ATOM 1305 CA MET A 90 1.917 6.134 6.804 1.00 0.00 C ATOM 1306 C MET A 90 2.314 4.715 6.391 1.00 0.00 C ATOM 1307 O MET A 90 2.847 4.507 5.302 1.00 0.00 O ATOM 1308 CB MET A 90 1.830 7.022 5.560 1.00 0.00 C ATOM 1309 CG MET A 90 0.780 6.493 4.582 1.00 0.00 C ATOM 1310 SD MET A 90 -0.067 7.855 3.800 1.00 0.00 S ATOM 1311 CE MET A 90 -0.974 6.974 2.539 1.00 0.00 C ATOM 0 H MET A 90 3.840 6.372 7.600 1.00 0.00 H new ATOM 0 HA MET A 90 0.947 6.090 7.299 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.578 8.041 5.853 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.802 7.062 5.069 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.257 5.869 3.826 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.064 5.864 5.110 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.763 7.614 2.145 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.297 6.694 1.732 1.00 0.00 H new ATOM 0 HE3 MET A 90 -1.416 6.076 2.970 1.00 0.00 H new ATOM 1321 N VAL A 91 2.038 3.774 7.283 1.00 0.00 N ATOM 1322 CA VAL A 91 2.360 2.381 7.025 1.00 0.00 C ATOM 1323 C VAL A 91 1.092 1.536 7.163 1.00 0.00 C ATOM 1324 O VAL A 91 0.223 1.842 7.979 1.00 0.00 O ATOM 1325 CB VAL A 91 3.487 1.924 7.953 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.813 2.587 7.574 1.00 0.00 C ATOM 1327 CG2 VAL A 91 3.137 2.197 9.418 1.00 0.00 C ATOM 0 H VAL A 91 1.595 3.949 8.185 1.00 0.00 H new ATOM 0 HA VAL A 91 2.726 2.255 6.006 1.00 0.00 H new ATOM 0 HB VAL A 91 3.604 0.847 7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.597 2.245 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.074 2.320 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.714 3.670 7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.955 1.863 10.056 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.979 3.266 9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.227 1.657 9.681 1.00 0.00 H new ATOM 1337 N GLY A 92 1.026 0.490 6.354 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.121 -0.403 6.376 1.00 0.00 C ATOM 1339 C GLY A 92 0.318 -1.863 6.255 1.00 0.00 C ATOM 1340 O GLY A 92 1.500 -2.146 6.066 1.00 0.00 O ATOM 0 H GLY A 92 1.748 0.240 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.678 -0.263 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.796 -0.154 5.557 1.00 0.00 H new ATOM 1344 N THR A 93 -0.658 -2.752 6.370 1.00 0.00 N ATOM 1345 CA THR A 93 -0.387 -4.176 6.275 1.00 0.00 C ATOM 1346 C THR A 93 -1.474 -4.873 5.454 1.00 0.00 C ATOM 1347 O THR A 93 -2.580 -4.352 5.311 1.00 0.00 O ATOM 1348 CB THR A 93 -0.254 -4.727 7.697 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.330 -3.655 8.431 1.00 0.00 O ATOM 1350 CG2 THR A 93 0.779 -5.852 7.795 1.00 0.00 C ATOM 0 H THR A 93 -1.637 -2.513 6.528 1.00 0.00 H new ATOM 0 HA THR A 93 0.547 -4.366 5.747 1.00 0.00 H new ATOM 0 HB THR A 93 -1.223 -5.093 8.036 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.450 -3.926 9.365 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.834 -6.207 8.824 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.484 -6.674 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.755 -5.477 7.488 1.00 0.00 H new ATOM 1358 N ILE A 94 -1.122 -6.040 4.935 1.00 0.00 N ATOM 1359 CA ILE A 94 -2.054 -6.813 4.132 1.00 0.00 C ATOM 1360 C ILE A 94 -1.807 -8.305 4.365 1.00 0.00 C ATOM 1361 O ILE A 94 -0.677 -8.776 4.249 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.966 -6.398 2.661 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.487 -4.974 2.461 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.689 -7.404 1.764 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -2.186 -4.473 1.048 1.00 0.00 C ATOM 0 H ILE A 94 -0.204 -6.469 5.055 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.080 -6.608 4.437 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.916 -6.401 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.562 -4.948 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.027 -4.309 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.612 -7.086 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.232 -8.387 1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.740 -7.457 2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.567 -3.458 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.109 -4.477 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.667 -5.126 0.320 1.00 0.00 H new ATOM 1377 N THR A 95 -2.883 -9.006 4.691 1.00 0.00 N ATOM 1378 CA THR A 95 -2.796 -10.435 4.942 1.00 0.00 C ATOM 1379 C THR A 95 -3.456 -11.217 3.805 1.00 0.00 C ATOM 1380 O THR A 95 -4.445 -10.766 3.228 1.00 0.00 O ATOM 1381 CB THR A 95 -3.420 -10.713 6.311 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.633 -9.939 7.214 1.00 0.00 O ATOM 1383 CG2 THR A 95 -3.203 -12.156 6.771 1.00 0.00 C ATOM 0 H THR A 95 -3.819 -8.612 4.787 1.00 0.00 H new ATOM 0 HA THR A 95 -1.759 -10.770 4.966 1.00 0.00 H new ATOM 0 HB THR A 95 -4.488 -10.501 6.273 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.969 -10.059 8.127 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.665 -12.300 7.748 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.655 -12.839 6.052 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.134 -12.358 6.842 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.884 -12.377 3.516 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.404 -13.225 2.458 1.00 0.00 C ATOM 1393 C VAL A 96 -3.604 -14.643 3.000 1.00 0.00 C ATOM 1394 O VAL A 96 -2.798 -15.533 2.731 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.475 -13.175 1.243 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.622 -14.436 0.388 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.727 -11.917 0.412 1.00 0.00 C ATOM 0 H VAL A 96 -2.065 -12.749 3.997 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.376 -12.864 2.122 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.449 -13.135 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.951 -14.375 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.369 -15.312 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.651 -14.520 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.054 -11.906 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.759 -11.913 0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.548 -11.034 1.025 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.682 -14.808 3.752 1.00 0.00 N ATOM 1408 CA GLU A 97 -4.998 -16.101 4.333 1.00 0.00 C ATOM 1409 C GLU A 97 -5.897 -16.902 3.389 1.00 0.00 C ATOM 1410 O GLU A 97 -6.720 -17.699 3.837 1.00 0.00 O ATOM 1411 CB GLU A 97 -5.652 -15.940 5.707 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.363 -17.150 6.597 1.00 0.00 C ATOM 1413 CD GLU A 97 -6.659 -17.742 7.156 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -7.639 -17.792 6.381 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -6.639 -18.132 8.343 1.00 0.00 O ATOM 1416 OXT GLU A 97 -5.710 -16.662 2.099 1.00 0.00 O ATOM 0 H GLU A 97 -5.348 -14.067 3.972 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.068 -16.652 4.472 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.281 -15.034 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.729 -15.820 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.830 -17.909 6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.710 -16.854 7.418 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 1.117 8.804 1.262 1.00 0.00 CU