USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 707 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 71 THR OG1 : rot 121:sc= 0.0402 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.0517 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-6.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= -0.157 (180deg=-0.205) USER MOD Single : A 21 SER OG : rot 53:sc= 1.29 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0.772 (180deg=0.581) USER MOD Single : A 32 GLN : amide:sc= -0.24! X(o=-0.24!,f=-0.008) USER MOD Single : A 33 ASN : amide:sc= 0.257 K(o=0.26,f=-5.3!) USER MOD Single : A 44 THR OG1 : rot 150:sc= 0.303 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= 1.25 (180deg=0.862) USER MOD Single : A 60 TYR OH : rot 16:sc= 0.592 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -99:sc= 0.782 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 1.04 (180deg=0.999) USER MOD Single : A 72 TYR OH : rot -17:sc= 1.26 USER MOD Single : A 84 LYS NZ :NH3+ 148:sc= 1.19 (180deg=0.422) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.353 -0.708 -10.765 1.00 0.00 N ATOM 2 CA MET A 1 13.975 -1.100 -10.465 1.00 0.00 C ATOM 3 C MET A 1 13.601 -0.476 -9.131 1.00 0.00 C ATOM 4 O MET A 1 14.211 -0.794 -8.108 1.00 0.00 O ATOM 5 CB MET A 1 13.817 -2.628 -10.436 1.00 0.00 C ATOM 6 CG MET A 1 13.491 -3.197 -11.821 1.00 0.00 C ATOM 7 SD MET A 1 11.753 -3.022 -12.310 1.00 0.00 S ATOM 8 CE MET A 1 11.700 -4.145 -13.735 1.00 0.00 C ATOM 0 H1 MET A 1 15.641 -1.120 -11.675 1.00 0.00 H new ATOM 0 H2 MET A 1 15.415 0.329 -10.819 1.00 0.00 H new ATOM 0 H3 MET A 1 15.984 -1.053 -10.014 1.00 0.00 H new ATOM 0 HA MET A 1 13.305 -0.743 -11.247 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.737 -3.081 -10.065 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.025 -2.898 -9.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.117 -2.699 -12.562 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.756 -4.254 -11.838 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.694 -4.153 -14.155 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.406 -3.805 -14.492 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.968 -5.152 -13.415 1.00 0.00 H new ATOM 18 N ALA A 2 12.604 0.403 -9.141 1.00 0.00 N ATOM 19 CA ALA A 2 11.934 0.937 -7.971 1.00 0.00 C ATOM 20 C ALA A 2 10.454 0.584 -8.116 1.00 0.00 C ATOM 21 O ALA A 2 9.953 0.456 -9.239 1.00 0.00 O ATOM 22 CB ALA A 2 12.160 2.451 -7.887 1.00 0.00 C ATOM 0 H ALA A 2 12.226 0.778 -10.011 1.00 0.00 H new ATOM 0 HA ALA A 2 12.326 0.513 -7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.654 2.846 -7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.228 2.656 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.759 2.929 -8.781 1.00 0.00 H new ATOM 28 N LEU A 3 9.753 0.430 -6.997 1.00 0.00 N ATOM 29 CA LEU A 3 8.357 0.013 -6.990 1.00 0.00 C ATOM 30 C LEU A 3 7.539 1.290 -6.864 1.00 0.00 C ATOM 31 O LEU A 3 7.445 1.877 -5.787 1.00 0.00 O ATOM 32 CB LEU A 3 8.089 -1.056 -5.911 1.00 0.00 C ATOM 33 CG LEU A 3 8.982 -2.309 -6.081 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.834 -3.274 -4.902 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.699 -3.095 -7.369 1.00 0.00 C ATOM 0 H LEU A 3 10.139 0.592 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 3 8.066 -0.497 -7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.260 -0.623 -4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.041 -1.353 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 3 9.997 -1.915 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.476 -4.141 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.123 -2.769 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.797 -3.600 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.361 -3.959 -7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.662 -3.432 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.872 -2.453 -8.233 1.00 0.00 H new ATOM 47 N VAL A 4 7.046 1.776 -8.005 1.00 0.00 N ATOM 48 CA VAL A 4 6.420 3.088 -8.155 1.00 0.00 C ATOM 49 C VAL A 4 5.057 2.925 -8.844 1.00 0.00 C ATOM 50 O VAL A 4 4.624 3.703 -9.700 1.00 0.00 O ATOM 51 CB VAL A 4 7.382 4.082 -8.843 1.00 0.00 C ATOM 52 CG1 VAL A 4 6.805 5.509 -8.901 1.00 0.00 C ATOM 53 CG2 VAL A 4 8.737 4.144 -8.114 1.00 0.00 C ATOM 0 H VAL A 4 7.073 1.249 -8.878 1.00 0.00 H new ATOM 0 HA VAL A 4 6.218 3.532 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 4 7.517 3.709 -9.858 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.518 6.170 -9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.870 5.501 -9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.617 5.867 -7.889 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.392 4.852 -8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.582 4.468 -7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.198 3.156 -8.118 1.00 0.00 H new ATOM 63 N LEU A 5 4.328 1.889 -8.470 1.00 0.00 N ATOM 64 CA LEU A 5 2.937 1.716 -8.839 1.00 0.00 C ATOM 65 C LEU A 5 2.343 0.698 -7.882 1.00 0.00 C ATOM 66 O LEU A 5 3.071 -0.178 -7.423 1.00 0.00 O ATOM 67 CB LEU A 5 2.791 1.234 -10.295 1.00 0.00 C ATOM 68 CG LEU A 5 3.683 0.023 -10.645 1.00 0.00 C ATOM 69 CD1 LEU A 5 2.834 -1.139 -11.169 1.00 0.00 C ATOM 70 CD2 LEU A 5 4.741 0.430 -11.674 1.00 0.00 C ATOM 0 H LEU A 5 4.693 1.132 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 5 2.414 2.670 -8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.749 0.970 -10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.034 2.058 -10.966 1.00 0.00 H new ATOM 0 HG LEU A 5 4.190 -0.312 -9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.481 -1.983 -11.410 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.116 -1.439 -10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.300 -0.824 -12.065 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.365 -0.431 -11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.250 0.786 -12.580 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.363 1.225 -11.262 1.00 0.00 H new ATOM 82 N VAL A 6 1.037 0.742 -7.621 1.00 0.00 N ATOM 83 CA VAL A 6 0.356 -0.482 -7.195 1.00 0.00 C ATOM 84 C VAL A 6 -1.107 -0.486 -7.638 1.00 0.00 C ATOM 85 O VAL A 6 -1.972 -1.146 -7.082 1.00 0.00 O ATOM 86 CB VAL A 6 0.512 -0.590 -5.663 1.00 0.00 C ATOM 87 CG1 VAL A 6 -0.277 0.491 -4.918 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.177 -1.979 -5.122 1.00 0.00 C ATOM 0 H VAL A 6 0.449 1.573 -7.692 1.00 0.00 H new ATOM 0 HA VAL A 6 0.804 -1.357 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 6 1.571 -0.421 -5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.134 0.371 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.077 1.476 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.337 0.397 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.306 -1.989 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.856 -2.225 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.842 -2.715 -5.574 1.00 0.00 H new ATOM 98 N LYS A 7 -1.400 0.053 -8.807 1.00 0.00 N ATOM 99 CA LYS A 7 -2.785 0.167 -9.244 1.00 0.00 C ATOM 100 C LYS A 7 -3.190 -1.053 -10.079 1.00 0.00 C ATOM 101 O LYS A 7 -4.062 -0.936 -10.938 1.00 0.00 O ATOM 102 CB LYS A 7 -2.945 1.457 -10.066 1.00 0.00 C ATOM 103 CG LYS A 7 -2.010 1.549 -11.285 1.00 0.00 C ATOM 104 CD LYS A 7 -2.701 2.314 -12.417 1.00 0.00 C ATOM 105 CE LYS A 7 -1.671 2.735 -13.461 1.00 0.00 C ATOM 106 NZ LYS A 7 -2.252 3.651 -14.459 1.00 0.00 N ATOM 0 H LYS A 7 -0.710 0.415 -9.465 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.437 0.207 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.977 1.531 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.762 2.313 -9.417 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.084 2.053 -11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.740 0.549 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.465 1.688 -12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.208 3.193 -12.018 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.829 3.221 -12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.279 1.851 -13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.524 3.916 -15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.039 3.178 -14.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.604 4.506 -13.982 1.00 0.00 H new ATOM 120 N TYR A 8 -2.705 -2.249 -9.742 1.00 0.00 N ATOM 121 CA TYR A 8 -3.075 -3.479 -10.437 1.00 0.00 C ATOM 122 C TYR A 8 -3.116 -4.637 -9.442 1.00 0.00 C ATOM 123 O TYR A 8 -2.807 -5.777 -9.793 1.00 0.00 O ATOM 124 CB TYR A 8 -2.044 -3.765 -11.552 1.00 0.00 C ATOM 125 CG TYR A 8 -1.907 -2.715 -12.640 1.00 0.00 C ATOM 126 CD1 TYR A 8 -2.990 -2.450 -13.501 1.00 0.00 C ATOM 127 CD2 TYR A 8 -0.690 -2.027 -12.817 1.00 0.00 C ATOM 128 CE1 TYR A 8 -2.868 -1.493 -14.523 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.556 -1.078 -13.845 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.643 -0.811 -14.706 1.00 0.00 C ATOM 131 OH TYR A 8 -1.485 0.084 -15.719 1.00 0.00 O ATOM 0 H TYR A 8 -2.044 -2.390 -8.978 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.062 -3.367 -10.885 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -1.068 -3.901 -11.086 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.307 -4.712 -12.024 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -3.919 -2.985 -13.375 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.143 -2.230 -12.160 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -3.708 -1.279 -15.167 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.379 -0.553 -13.976 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.579 0.455 -15.689 1.00 0.00 H new ATOM 141 N GLY A 9 -3.577 -4.370 -8.216 1.00 0.00 N ATOM 142 CA GLY A 9 -3.391 -5.274 -7.096 1.00 0.00 C ATOM 143 C GLY A 9 -1.903 -5.404 -6.813 1.00 0.00 C ATOM 144 O GLY A 9 -1.319 -4.644 -6.053 1.00 0.00 O ATOM 0 H GLY A 9 -4.088 -3.519 -7.981 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.911 -4.896 -6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.818 -6.250 -7.324 1.00 0.00 H new ATOM 148 N THR A 10 -1.266 -6.351 -7.458 1.00 0.00 N ATOM 149 CA THR A 10 -0.110 -7.029 -6.896 1.00 0.00 C ATOM 150 C THR A 10 1.134 -6.704 -7.732 1.00 0.00 C ATOM 151 O THR A 10 1.464 -7.441 -8.657 1.00 0.00 O ATOM 152 CB THR A 10 -0.448 -8.533 -6.723 1.00 0.00 C ATOM 153 OG1 THR A 10 -1.461 -8.932 -7.645 1.00 0.00 O ATOM 154 CG2 THR A 10 -0.976 -8.837 -5.308 1.00 0.00 C ATOM 0 H THR A 10 -1.530 -6.678 -8.388 1.00 0.00 H new ATOM 0 HA THR A 10 0.137 -6.674 -5.895 1.00 0.00 H new ATOM 0 HB THR A 10 0.478 -9.079 -6.901 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.659 -9.884 -7.522 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.202 -9.900 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.219 -8.568 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.881 -8.258 -5.125 1.00 0.00 H new ATOM 162 N ASP A 11 1.844 -5.599 -7.436 1.00 0.00 N ATOM 163 CA ASP A 11 3.147 -5.308 -8.066 1.00 0.00 C ATOM 164 C ASP A 11 4.026 -4.360 -7.223 1.00 0.00 C ATOM 165 O ASP A 11 4.713 -3.491 -7.761 1.00 0.00 O ATOM 166 CB ASP A 11 2.917 -4.760 -9.496 1.00 0.00 C ATOM 167 CG ASP A 11 4.120 -4.947 -10.441 1.00 0.00 C ATOM 168 OD1 ASP A 11 5.155 -5.526 -10.047 1.00 0.00 O ATOM 169 OD2 ASP A 11 3.964 -4.618 -11.647 1.00 0.00 O ATOM 0 H ASP A 11 1.538 -4.894 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 11 3.706 -6.242 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.048 -5.256 -9.928 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.679 -3.698 -9.433 1.00 0.00 H new ATOM 174 N HIS A 12 4.022 -4.520 -5.889 1.00 0.00 N ATOM 175 CA HIS A 12 4.813 -3.718 -4.944 1.00 0.00 C ATOM 176 C HIS A 12 4.953 -4.460 -3.604 1.00 0.00 C ATOM 177 O HIS A 12 4.354 -5.526 -3.464 1.00 0.00 O ATOM 178 CB HIS A 12 4.158 -2.330 -4.789 1.00 0.00 C ATOM 179 CG HIS A 12 3.137 -2.193 -3.683 1.00 0.00 C ATOM 180 ND1 HIS A 12 2.390 -3.195 -3.097 1.00 0.00 N ATOM 181 CD2 HIS A 12 2.846 -1.033 -3.021 1.00 0.00 C ATOM 182 CE1 HIS A 12 1.677 -2.643 -2.107 1.00 0.00 C ATOM 183 NE2 HIS A 12 1.886 -1.321 -2.051 1.00 0.00 N ATOM 0 H HIS A 12 3.453 -5.230 -5.427 1.00 0.00 H new ATOM 0 HA HIS A 12 5.823 -3.570 -5.325 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.946 -1.596 -4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.678 -2.071 -5.733 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.382 -4.178 -3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.282 -0.064 -3.215 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.023 -3.189 -1.444 1.00 0.00 H new ATOM 191 N PRO A 13 5.701 -3.968 -2.603 1.00 0.00 N ATOM 192 CA PRO A 13 5.816 -4.648 -1.322 1.00 0.00 C ATOM 193 C PRO A 13 4.643 -4.357 -0.399 1.00 0.00 C ATOM 194 O PRO A 13 3.938 -3.396 -0.610 1.00 0.00 O ATOM 195 CB PRO A 13 7.088 -4.091 -0.721 1.00 0.00 C ATOM 196 CG PRO A 13 7.249 -2.691 -1.303 1.00 0.00 C ATOM 197 CD PRO A 13 6.328 -2.659 -2.521 1.00 0.00 C ATOM 0 HA PRO A 13 5.826 -5.730 -1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.023 -4.056 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.944 -4.718 -0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.969 -1.928 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.284 -2.498 -1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.577 -1.876 -2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.893 -2.442 -3.428 1.00 0.00 H new ATOM 205 N VAL A 14 4.479 -5.168 0.645 1.00 0.00 N ATOM 206 CA VAL A 14 3.569 -5.090 1.769 1.00 0.00 C ATOM 207 C VAL A 14 3.625 -6.504 2.325 1.00 0.00 C ATOM 208 O VAL A 14 4.074 -6.703 3.437 1.00 0.00 O ATOM 209 CB VAL A 14 2.175 -4.536 1.381 1.00 0.00 C ATOM 210 CG1 VAL A 14 1.010 -5.185 2.123 1.00 0.00 C ATOM 211 CG2 VAL A 14 2.104 -3.017 1.639 1.00 0.00 C ATOM 0 H VAL A 14 5.062 -6.001 0.724 1.00 0.00 H new ATOM 0 HA VAL A 14 3.841 -4.364 2.535 1.00 0.00 H new ATOM 0 HB VAL A 14 2.069 -4.773 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.073 -4.738 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.996 -6.255 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.128 -5.026 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.118 -2.646 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.281 -2.819 2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.863 -2.511 1.043 1.00 0.00 H new ATOM 221 N GLU A 15 3.355 -7.513 1.499 1.00 0.00 N ATOM 222 CA GLU A 15 3.115 -8.892 1.940 1.00 0.00 C ATOM 223 C GLU A 15 3.586 -9.888 0.891 1.00 0.00 C ATOM 224 O GLU A 15 3.048 -10.985 0.785 1.00 0.00 O ATOM 225 CB GLU A 15 1.632 -9.062 2.360 1.00 0.00 C ATOM 226 CG GLU A 15 1.412 -8.463 3.755 1.00 0.00 C ATOM 227 CD GLU A 15 0.124 -8.914 4.457 1.00 0.00 C ATOM 228 OE1 GLU A 15 -0.041 -10.122 4.732 1.00 0.00 O ATOM 229 OE2 GLU A 15 -0.670 -8.033 4.852 1.00 0.00 O ATOM 0 H GLU A 15 3.295 -7.397 0.487 1.00 0.00 H new ATOM 0 HA GLU A 15 3.711 -9.108 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.982 -8.570 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.364 -10.119 2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.262 -8.725 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.401 -7.376 3.670 1.00 0.00 H new ATOM 236 N LYS A 16 4.633 -9.521 0.138 1.00 0.00 N ATOM 237 CA LYS A 16 5.401 -10.435 -0.703 1.00 0.00 C ATOM 238 C LYS A 16 6.629 -9.767 -1.264 1.00 0.00 C ATOM 239 O LYS A 16 7.710 -10.102 -0.808 1.00 0.00 O ATOM 240 CB LYS A 16 4.554 -11.034 -1.830 1.00 0.00 C ATOM 241 CG LYS A 16 5.099 -12.402 -2.232 1.00 0.00 C ATOM 242 CD LYS A 16 4.721 -13.482 -1.202 1.00 0.00 C ATOM 243 CE LYS A 16 5.088 -14.858 -1.759 1.00 0.00 C ATOM 244 NZ LYS A 16 3.959 -15.816 -1.674 1.00 0.00 N ATOM 0 H LYS A 16 4.972 -8.560 0.100 1.00 0.00 H new ATOM 0 HA LYS A 16 5.720 -11.255 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.518 -11.129 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.558 -10.366 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.707 -12.678 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.184 -12.350 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.245 -13.305 -0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.654 -13.437 -0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.398 -14.756 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.941 -15.255 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.253 -16.735 -2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.678 -15.935 -0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.152 -15.451 -2.220 1.00 0.00 H new ATOM 258 N LEU A 17 6.508 -8.755 -2.126 1.00 0.00 N ATOM 259 CA LEU A 17 7.683 -8.062 -2.662 1.00 0.00 C ATOM 260 C LEU A 17 8.545 -7.501 -1.517 1.00 0.00 C ATOM 261 O LEU A 17 9.771 -7.506 -1.584 1.00 0.00 O ATOM 262 CB LEU A 17 7.265 -6.978 -3.683 1.00 0.00 C ATOM 263 CG LEU A 17 8.006 -7.000 -5.035 1.00 0.00 C ATOM 264 CD1 LEU A 17 9.527 -7.001 -4.869 1.00 0.00 C ATOM 265 CD2 LEU A 17 7.569 -8.185 -5.896 1.00 0.00 C ATOM 0 H LEU A 17 5.615 -8.399 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 17 8.301 -8.777 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.197 -7.081 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.414 -6.000 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 17 7.730 -6.078 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.000 -7.017 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.835 -6.104 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.831 -7.883 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.112 -8.168 -6.841 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.784 -9.115 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.499 -8.118 -6.091 1.00 0.00 H new ATOM 277 N LYS A 18 7.901 -7.135 -0.398 1.00 0.00 N ATOM 278 CA LYS A 18 8.566 -6.676 0.835 1.00 0.00 C ATOM 279 C LYS A 18 9.576 -7.718 1.346 1.00 0.00 C ATOM 280 O LYS A 18 10.509 -7.401 2.069 1.00 0.00 O ATOM 281 CB LYS A 18 7.543 -6.281 1.931 1.00 0.00 C ATOM 282 CG LYS A 18 7.482 -7.136 3.208 1.00 0.00 C ATOM 283 CD LYS A 18 6.772 -8.470 2.948 1.00 0.00 C ATOM 284 CE LYS A 18 7.237 -9.671 3.771 1.00 0.00 C ATOM 285 NZ LYS A 18 7.777 -9.346 5.108 1.00 0.00 N ATOM 0 H LYS A 18 6.884 -7.149 -0.322 1.00 0.00 H new ATOM 0 HA LYS A 18 9.125 -5.774 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.753 -5.253 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.551 -6.286 1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.492 -7.323 3.572 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.958 -6.588 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.706 -8.328 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.888 -8.716 1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.397 -10.355 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.003 -10.203 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.034 -10.225 5.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.621 -8.747 5.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.057 -8.837 5.659 1.00 0.00 H new ATOM 299 N ILE A 19 9.337 -8.998 1.087 1.00 0.00 N ATOM 300 CA ILE A 19 10.163 -10.077 1.590 1.00 0.00 C ATOM 301 C ILE A 19 11.435 -10.165 0.769 1.00 0.00 C ATOM 302 O ILE A 19 12.486 -10.515 1.297 1.00 0.00 O ATOM 303 CB ILE A 19 9.348 -11.396 1.571 1.00 0.00 C ATOM 304 CG1 ILE A 19 9.501 -12.152 2.898 1.00 0.00 C ATOM 305 CG2 ILE A 19 9.611 -12.354 0.398 1.00 0.00 C ATOM 306 CD1 ILE A 19 8.240 -12.964 3.182 1.00 0.00 C ATOM 0 H ILE A 19 8.554 -9.314 0.515 1.00 0.00 H new ATOM 0 HA ILE A 19 10.457 -9.889 2.623 1.00 0.00 H new ATOM 0 HB ILE A 19 8.323 -11.055 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 19 10.367 -12.813 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.680 -11.447 3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.980 -13.237 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.381 -11.851 -0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 19 10.659 -12.654 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.356 -13.498 4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.383 -12.294 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.080 -13.681 2.377 1.00 0.00 H new ATOM 318 N ARG A 20 11.318 -9.841 -0.522 1.00 0.00 N ATOM 319 CA ARG A 20 12.443 -9.800 -1.427 1.00 0.00 C ATOM 320 C ARG A 20 13.318 -8.611 -1.055 1.00 0.00 C ATOM 321 O ARG A 20 14.541 -8.723 -1.098 1.00 0.00 O ATOM 322 CB ARG A 20 11.938 -9.768 -2.873 1.00 0.00 C ATOM 323 CG ARG A 20 11.231 -11.086 -3.242 1.00 0.00 C ATOM 324 CD ARG A 20 9.722 -11.032 -3.480 1.00 0.00 C ATOM 325 NE ARG A 20 9.255 -12.245 -4.153 1.00 0.00 N ATOM 326 CZ ARG A 20 9.095 -12.437 -5.464 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.423 -11.507 -6.358 1.00 0.00 N ATOM 328 NH2 ARG A 20 8.655 -13.614 -5.884 1.00 0.00 N ATOM 0 H ARG A 20 10.429 -9.600 -0.960 1.00 0.00 H new ATOM 0 HA ARG A 20 13.060 -10.694 -1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.249 -8.933 -3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.775 -9.599 -3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.700 -11.479 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.421 -11.805 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.204 -10.917 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.476 -10.159 -4.084 1.00 0.00 H new ATOM 0 HE ARG A 20 9.025 -13.035 -3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.809 -10.615 -6.048 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.288 -11.686 -7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.446 -14.351 -5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.525 -13.784 -6.881 1.00 0.00 H new ATOM 342 N SER A 21 12.715 -7.491 -0.650 1.00 0.00 N ATOM 343 CA SER A 21 13.389 -6.355 -0.047 1.00 0.00 C ATOM 344 C SER A 21 12.339 -5.440 0.599 1.00 0.00 C ATOM 345 O SER A 21 11.456 -4.928 -0.095 1.00 0.00 O ATOM 346 CB SER A 21 14.198 -5.641 -1.135 1.00 0.00 C ATOM 347 OG SER A 21 15.475 -6.253 -1.268 1.00 0.00 O ATOM 0 H SER A 21 11.708 -7.352 -0.739 1.00 0.00 H new ATOM 0 HA SER A 21 14.079 -6.666 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 21 13.664 -5.683 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.315 -4.587 -0.881 1.00 0.00 H new ATOM 0 HG SER A 21 15.363 -7.217 -1.407 1.00 0.00 H new ATOM 353 N ALA A 22 12.417 -5.308 1.926 1.00 0.00 N ATOM 354 CA ALA A 22 11.839 -4.295 2.813 1.00 0.00 C ATOM 355 C ALA A 22 12.421 -4.538 4.200 1.00 0.00 C ATOM 356 O ALA A 22 12.905 -5.638 4.491 1.00 0.00 O ATOM 357 CB ALA A 22 10.302 -4.383 2.917 1.00 0.00 C ATOM 0 H ALA A 22 12.950 -5.989 2.467 1.00 0.00 H new ATOM 0 HA ALA A 22 12.077 -3.311 2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.938 -3.606 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.862 -4.245 1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.019 -5.361 3.307 1.00 0.00 H new ATOM 363 N LYS A 23 12.293 -3.566 5.089 1.00 0.00 N ATOM 364 CA LYS A 23 12.543 -3.700 6.515 1.00 0.00 C ATOM 365 C LYS A 23 11.504 -2.874 7.251 1.00 0.00 C ATOM 366 O LYS A 23 10.556 -2.375 6.640 1.00 0.00 O ATOM 367 CB LYS A 23 13.980 -3.254 6.838 1.00 0.00 C ATOM 368 CG LYS A 23 14.856 -4.158 7.702 1.00 0.00 C ATOM 369 CD LYS A 23 15.217 -5.503 7.049 1.00 0.00 C ATOM 370 CE LYS A 23 14.049 -6.454 7.301 1.00 0.00 C ATOM 371 NZ LYS A 23 14.430 -7.766 7.868 1.00 0.00 N ATOM 0 H LYS A 23 12.000 -2.625 4.826 1.00 0.00 H new ATOM 0 HA LYS A 23 12.456 -4.738 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.498 -3.100 5.891 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.921 -2.283 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.776 -3.627 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.341 -4.351 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.388 -5.378 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.138 -5.903 7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.345 -5.971 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.523 -6.619 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.577 -8.345 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.077 -8.252 7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.904 -7.624 8.783 1.00 0.00 H new ATOM 385 N ALA A 24 11.643 -2.762 8.568 1.00 0.00 N ATOM 386 CA ALA A 24 10.618 -2.103 9.349 1.00 0.00 C ATOM 387 C ALA A 24 10.555 -0.602 9.077 1.00 0.00 C ATOM 388 O ALA A 24 9.568 0.025 9.469 1.00 0.00 O ATOM 389 CB ALA A 24 10.798 -2.308 10.848 1.00 0.00 C ATOM 0 H ALA A 24 12.439 -3.112 9.102 1.00 0.00 H new ATOM 0 HA ALA A 24 9.685 -2.570 9.033 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.001 -1.792 11.384 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.759 -3.373 11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.763 -1.906 11.157 1.00 0.00 H new ATOM 395 N GLU A 25 11.569 0.004 8.446 1.00 0.00 N ATOM 396 CA GLU A 25 11.584 1.441 8.230 1.00 0.00 C ATOM 397 C GLU A 25 11.462 1.772 6.760 1.00 0.00 C ATOM 398 O GLU A 25 11.968 2.776 6.242 1.00 0.00 O ATOM 399 CB GLU A 25 12.863 2.055 8.788 1.00 0.00 C ATOM 400 CG GLU A 25 12.473 3.421 9.349 1.00 0.00 C ATOM 401 CD GLU A 25 13.655 4.261 9.822 1.00 0.00 C ATOM 402 OE1 GLU A 25 14.439 3.775 10.665 1.00 0.00 O ATOM 403 OE2 GLU A 25 13.751 5.419 9.344 1.00 0.00 O ATOM 0 H GLU A 25 12.385 -0.486 8.079 1.00 0.00 H new ATOM 0 HA GLU A 25 10.726 1.862 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.291 1.423 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.618 2.156 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.931 3.975 8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.787 3.277 10.183 1.00 0.00 H new ATOM 410 N ASP A 26 10.653 0.967 6.113 1.00 0.00 N ATOM 411 CA ASP A 26 10.221 1.229 4.781 1.00 0.00 C ATOM 412 C ASP A 26 8.859 1.899 4.885 1.00 0.00 C ATOM 413 O ASP A 26 8.234 1.924 5.959 1.00 0.00 O ATOM 414 CB ASP A 26 10.210 -0.093 4.025 1.00 0.00 C ATOM 415 CG ASP A 26 11.537 -0.288 3.295 1.00 0.00 C ATOM 416 OD1 ASP A 26 11.776 0.403 2.281 1.00 0.00 O ATOM 417 OD2 ASP A 26 12.364 -1.107 3.759 1.00 0.00 O ATOM 0 H ASP A 26 10.278 0.105 6.510 1.00 0.00 H new ATOM 0 HA ASP A 26 10.877 1.899 4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.043 -0.917 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.387 -0.106 3.310 1.00 0.00 H new ATOM 422 N LYS A 27 8.397 2.484 3.784 1.00 0.00 N ATOM 423 CA LYS A 27 7.155 3.227 3.743 1.00 0.00 C ATOM 424 C LYS A 27 6.420 2.785 2.492 1.00 0.00 C ATOM 425 O LYS A 27 7.053 2.623 1.450 1.00 0.00 O ATOM 426 CB LYS A 27 7.417 4.740 3.799 1.00 0.00 C ATOM 427 CG LYS A 27 8.230 5.214 5.025 1.00 0.00 C ATOM 428 CD LYS A 27 9.727 5.344 4.728 1.00 0.00 C ATOM 429 CE LYS A 27 10.501 5.805 5.960 1.00 0.00 C ATOM 430 NZ LYS A 27 11.957 5.645 5.772 1.00 0.00 N ATOM 0 H LYS A 27 8.884 2.451 2.889 1.00 0.00 H new ATOM 0 HA LYS A 27 6.532 3.021 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.947 5.036 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.459 5.260 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.845 6.177 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.086 4.510 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.117 4.384 4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.878 6.054 3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.272 6.851 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.180 5.231 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.463 6.229 6.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.216 4.647 5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.218 5.946 4.811 1.00 0.00 H new ATOM 444 N ILE A 28 5.149 2.408 2.628 1.00 0.00 N ATOM 445 CA ILE A 28 4.390 1.822 1.540 1.00 0.00 C ATOM 446 C ILE A 28 2.912 2.182 1.738 1.00 0.00 C ATOM 447 O ILE A 28 2.451 2.372 2.866 1.00 0.00 O ATOM 448 CB ILE A 28 4.582 0.282 1.479 1.00 0.00 C ATOM 449 CG1 ILE A 28 5.963 -0.343 1.856 1.00 0.00 C ATOM 450 CG2 ILE A 28 4.252 -0.132 0.034 1.00 0.00 C ATOM 451 CD1 ILE A 28 5.788 -1.800 2.272 1.00 0.00 C ATOM 0 H ILE A 28 4.623 2.503 3.497 1.00 0.00 H new ATOM 0 HA ILE A 28 4.748 2.221 0.591 1.00 0.00 H new ATOM 0 HB ILE A 28 3.931 -0.102 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.643 -0.279 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.416 0.223 2.670 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.370 -1.210 -0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.224 0.145 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.929 0.376 -0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.758 -2.223 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.125 -1.855 3.135 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.355 -2.365 1.446 1.00 0.00 H new ATOM 463 N VAL A 29 2.166 2.216 0.632 1.00 0.00 N ATOM 464 CA VAL A 29 0.741 2.544 0.538 1.00 0.00 C ATOM 465 C VAL A 29 0.117 1.776 -0.636 1.00 0.00 C ATOM 466 O VAL A 29 0.804 1.566 -1.634 1.00 0.00 O ATOM 467 CB VAL A 29 0.546 4.068 0.353 1.00 0.00 C ATOM 468 CG1 VAL A 29 -0.935 4.452 0.159 1.00 0.00 C ATOM 469 CG2 VAL A 29 1.068 4.841 1.566 1.00 0.00 C ATOM 0 H VAL A 29 2.567 2.001 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 29 0.245 2.250 1.463 1.00 0.00 H new ATOM 0 HB VAL A 29 1.108 4.331 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.018 5.532 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.327 3.953 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.508 4.143 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.918 5.909 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.527 4.526 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.131 4.639 1.696 1.00 0.00 H new ATOM 479 N LEU A 30 -1.178 1.432 -0.556 1.00 0.00 N ATOM 480 CA LEU A 30 -1.960 0.766 -1.614 1.00 0.00 C ATOM 481 C LEU A 30 -2.952 1.739 -2.230 1.00 0.00 C ATOM 482 O LEU A 30 -3.559 2.527 -1.508 1.00 0.00 O ATOM 483 CB LEU A 30 -2.769 -0.450 -1.097 1.00 0.00 C ATOM 484 CG LEU A 30 -2.281 -1.236 0.131 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.294 -2.337 0.474 1.00 0.00 C ATOM 486 CD2 LEU A 30 -0.928 -1.880 -0.133 1.00 0.00 C ATOM 0 H LEU A 30 -1.733 1.617 0.280 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.230 0.418 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.777 -0.098 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.852 -1.158 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.183 -0.537 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.946 -2.893 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.261 -1.886 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.395 -3.015 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.607 -2.429 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.010 -2.566 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.196 -1.106 -0.365 1.00 0.00 H new ATOM 498 N ILE A 31 -3.183 1.623 -3.541 1.00 0.00 N ATOM 499 CA ILE A 31 -4.136 2.434 -4.287 1.00 0.00 C ATOM 500 C ILE A 31 -4.891 1.553 -5.279 1.00 0.00 C ATOM 501 O ILE A 31 -4.445 0.454 -5.577 1.00 0.00 O ATOM 502 CB ILE A 31 -3.430 3.629 -4.973 1.00 0.00 C ATOM 503 CG1 ILE A 31 -2.929 3.255 -6.384 1.00 0.00 C ATOM 504 CG2 ILE A 31 -2.257 4.226 -4.158 1.00 0.00 C ATOM 505 CD1 ILE A 31 -2.578 4.489 -7.201 1.00 0.00 C ATOM 0 H ILE A 31 -2.696 0.942 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.865 2.863 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.198 4.400 -5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.053 2.612 -6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.697 2.681 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.817 5.058 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.626 4.582 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.500 3.459 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.229 4.185 -8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.461 5.119 -7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.791 5.049 -6.695 1.00 0.00 H new ATOM 517 N GLN A 32 -5.929 2.082 -5.920 1.00 0.00 N ATOM 518 CA GLN A 32 -6.763 1.426 -6.918 1.00 0.00 C ATOM 519 C GLN A 32 -7.065 -0.026 -6.540 1.00 0.00 C ATOM 520 O GLN A 32 -7.530 -0.309 -5.445 1.00 0.00 O ATOM 521 CB GLN A 32 -6.224 1.557 -8.353 1.00 0.00 C ATOM 522 CG GLN A 32 -6.129 2.987 -8.863 1.00 0.00 C ATOM 523 CD GLN A 32 -7.499 3.493 -9.299 1.00 0.00 C ATOM 524 OE1 GLN A 32 -7.898 3.291 -10.439 1.00 0.00 O ATOM 525 NE2 GLN A 32 -8.256 4.152 -8.442 1.00 0.00 N ATOM 0 H GLN A 32 -6.228 3.041 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.710 1.965 -6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.235 1.102 -8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.868 0.988 -9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.729 3.632 -8.081 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.434 3.034 -9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.924 4.320 -7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.173 4.493 -8.729 1.00 0.00 H new ATOM 534 N ASN A 33 -6.748 -0.966 -7.430 1.00 0.00 N ATOM 535 CA ASN A 33 -6.874 -2.398 -7.202 1.00 0.00 C ATOM 536 C ASN A 33 -5.795 -2.898 -6.251 1.00 0.00 C ATOM 537 O ASN A 33 -6.000 -3.927 -5.619 1.00 0.00 O ATOM 538 CB ASN A 33 -6.830 -3.158 -8.535 1.00 0.00 C ATOM 539 CG ASN A 33 -8.029 -2.763 -9.401 1.00 0.00 C ATOM 540 OD1 ASN A 33 -9.127 -3.288 -9.232 1.00 0.00 O ATOM 541 ND2 ASN A 33 -7.900 -1.772 -10.269 1.00 0.00 N ATOM 0 H ASN A 33 -6.386 -0.741 -8.357 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.840 -2.586 -6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.902 -2.934 -9.060 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.841 -4.232 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.711 -1.446 -10.795 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.990 -1.334 -10.412 1.00 0.00 H new ATOM 548 N GLY A 34 -4.681 -2.169 -6.108 1.00 0.00 N ATOM 549 CA GLY A 34 -3.618 -2.355 -5.123 1.00 0.00 C ATOM 550 C GLY A 34 -4.133 -2.682 -3.733 1.00 0.00 C ATOM 551 O GLY A 34 -3.526 -3.438 -2.987 1.00 0.00 O ATOM 0 H GLY A 34 -4.489 -1.378 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.960 -3.158 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.015 -1.448 -5.075 1.00 0.00 H new ATOM 555 N VAL A 35 -5.284 -2.119 -3.369 1.00 0.00 N ATOM 556 CA VAL A 35 -5.968 -2.353 -2.103 1.00 0.00 C ATOM 557 C VAL A 35 -6.131 -3.854 -1.770 1.00 0.00 C ATOM 558 O VAL A 35 -6.296 -4.202 -0.598 1.00 0.00 O ATOM 559 CB VAL A 35 -7.316 -1.623 -2.151 1.00 0.00 C ATOM 560 CG1 VAL A 35 -7.130 -0.107 -2.348 1.00 0.00 C ATOM 561 CG2 VAL A 35 -8.278 -2.234 -3.192 1.00 0.00 C ATOM 0 H VAL A 35 -5.782 -1.464 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.357 -1.957 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.790 -1.765 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.105 0.378 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.548 0.299 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.605 0.076 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.218 -1.682 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.827 -2.175 -4.183 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.469 -3.278 -2.942 1.00 0.00 H new ATOM 571 N PHE A 36 -6.034 -4.737 -2.776 1.00 0.00 N ATOM 572 CA PHE A 36 -5.960 -6.192 -2.673 1.00 0.00 C ATOM 573 C PHE A 36 -4.838 -6.705 -1.763 1.00 0.00 C ATOM 574 O PHE A 36 -4.898 -7.850 -1.328 1.00 0.00 O ATOM 575 CB PHE A 36 -5.735 -6.776 -4.080 1.00 0.00 C ATOM 576 CG PHE A 36 -6.942 -6.920 -4.995 1.00 0.00 C ATOM 577 CD1 PHE A 36 -8.122 -6.159 -4.833 1.00 0.00 C ATOM 578 CD2 PHE A 36 -6.861 -7.848 -6.052 1.00 0.00 C ATOM 579 CE1 PHE A 36 -9.209 -6.349 -5.704 1.00 0.00 C ATOM 580 CE2 PHE A 36 -7.941 -8.028 -6.930 1.00 0.00 C ATOM 581 CZ PHE A 36 -9.115 -7.279 -6.750 1.00 0.00 C ATOM 0 H PHE A 36 -6.004 -4.426 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.902 -6.513 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.003 -6.149 -4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.284 -7.762 -3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.189 -5.430 -4.039 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.959 -8.426 -6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.116 -5.779 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.869 -8.739 -7.740 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.950 -7.420 -7.420 1.00 0.00 H new ATOM 591 N TRP A 37 -3.812 -5.910 -1.458 1.00 0.00 N ATOM 592 CA TRP A 37 -2.805 -6.354 -0.500 1.00 0.00 C ATOM 593 C TRP A 37 -3.360 -6.394 0.927 1.00 0.00 C ATOM 594 O TRP A 37 -2.813 -7.120 1.757 1.00 0.00 O ATOM 595 CB TRP A 37 -1.545 -5.490 -0.541 1.00 0.00 C ATOM 596 CG TRP A 37 -0.694 -5.585 -1.766 1.00 0.00 C ATOM 597 CD1 TRP A 37 -0.712 -4.739 -2.817 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.352 -6.558 -2.060 1.00 0.00 C ATOM 599 NE1 TRP A 37 0.181 -5.175 -3.767 1.00 0.00 N ATOM 600 CE2 TRP A 37 0.908 -6.263 -3.337 1.00 0.00 C ATOM 601 CE3 TRP A 37 0.887 -7.664 -1.372 1.00 0.00 C ATOM 602 CZ2 TRP A 37 1.958 -7.014 -3.889 1.00 0.00 C ATOM 603 CZ3 TRP A 37 1.951 -8.412 -1.905 1.00 0.00 C ATOM 604 CH2 TRP A 37 2.517 -8.067 -3.144 1.00 0.00 C ATOM 0 H TRP A 37 -3.659 -4.980 -1.849 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.531 -7.366 -0.798 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.844 -4.449 -0.417 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.929 -5.749 0.320 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.331 -3.858 -2.899 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.292 -4.743 -4.684 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.471 -7.943 -0.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.332 -6.785 -4.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.337 -9.259 -1.358 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.374 -8.606 -3.521 1.00 0.00 H new ATOM 615 N ALA A 38 -4.425 -5.647 1.250 1.00 0.00 N ATOM 616 CA ALA A 38 -4.985 -5.542 2.603 1.00 0.00 C ATOM 617 C ALA A 38 -5.862 -6.735 2.956 1.00 0.00 C ATOM 618 O ALA A 38 -6.908 -6.549 3.577 1.00 0.00 O ATOM 619 CB ALA A 38 -5.744 -4.214 2.751 1.00 0.00 C ATOM 0 H ALA A 38 -4.931 -5.088 0.563 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.159 -5.553 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.157 -4.141 3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.060 -3.383 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.554 -4.174 2.022 1.00 0.00 H new ATOM 625 N LEU A 39 -5.425 -7.934 2.560 1.00 0.00 N ATOM 626 CA LEU A 39 -6.180 -9.181 2.516 1.00 0.00 C ATOM 627 C LEU A 39 -5.307 -10.302 1.927 1.00 0.00 C ATOM 628 O LEU A 39 -5.780 -11.142 1.165 1.00 0.00 O ATOM 629 CB LEU A 39 -7.538 -8.954 1.823 1.00 0.00 C ATOM 630 CG LEU A 39 -7.547 -8.150 0.502 1.00 0.00 C ATOM 631 CD1 LEU A 39 -7.643 -9.055 -0.731 1.00 0.00 C ATOM 632 CD2 LEU A 39 -8.692 -7.137 0.527 1.00 0.00 C ATOM 0 H LEU A 39 -4.465 -8.063 2.240 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.435 -9.523 3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.980 -9.930 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.194 -8.445 2.529 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.597 -7.622 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.646 -8.442 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.788 -9.731 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.564 -9.637 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.697 -6.571 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.640 -7.663 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.556 -6.454 1.366 1.00 0.00 H new ATOM 644 N GLU A 40 -4.024 -10.311 2.308 1.00 0.00 N ATOM 645 CA GLU A 40 -2.995 -11.297 1.963 1.00 0.00 C ATOM 646 C GLU A 40 -2.695 -12.200 3.174 1.00 0.00 C ATOM 647 O GLU A 40 -3.454 -12.189 4.143 1.00 0.00 O ATOM 648 CB GLU A 40 -1.752 -10.531 1.482 1.00 0.00 C ATOM 649 CG GLU A 40 -1.978 -9.950 0.093 1.00 0.00 C ATOM 650 CD GLU A 40 -1.514 -10.945 -0.983 1.00 0.00 C ATOM 651 OE1 GLU A 40 -0.284 -11.067 -1.182 1.00 0.00 O ATOM 652 OE2 GLU A 40 -2.336 -11.691 -1.574 1.00 0.00 O ATOM 0 H GLU A 40 -3.652 -9.576 2.909 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.335 -11.956 1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.520 -9.729 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.891 -11.199 1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.035 -9.721 -0.045 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.432 -9.012 -0.010 1.00 0.00 H new ATOM 659 N GLU A 41 -1.631 -13.008 3.146 1.00 0.00 N ATOM 660 CA GLU A 41 -1.366 -14.029 4.161 1.00 0.00 C ATOM 661 C GLU A 41 0.085 -14.065 4.640 1.00 0.00 C ATOM 662 O GLU A 41 0.707 -15.126 4.741 1.00 0.00 O ATOM 663 CB GLU A 41 -1.866 -15.392 3.657 1.00 0.00 C ATOM 664 CG GLU A 41 -1.218 -15.845 2.334 1.00 0.00 C ATOM 665 CD GLU A 41 -1.414 -17.344 2.108 1.00 0.00 C ATOM 666 OE1 GLU A 41 -2.476 -17.744 1.588 1.00 0.00 O ATOM 667 OE2 GLU A 41 -0.516 -18.137 2.484 1.00 0.00 O ATOM 0 H GLU A 41 -0.924 -12.971 2.412 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.926 -13.760 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.672 -16.144 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.947 -15.345 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.653 -15.289 1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.153 -15.613 2.349 1.00 0.00 H new ATOM 674 N LEU A 42 0.641 -12.889 4.915 1.00 0.00 N ATOM 675 CA LEU A 42 2.076 -12.688 5.047 1.00 0.00 C ATOM 676 C LEU A 42 2.367 -11.757 6.225 1.00 0.00 C ATOM 677 O LEU A 42 1.736 -11.886 7.272 1.00 0.00 O ATOM 678 CB LEU A 42 2.601 -12.200 3.684 1.00 0.00 C ATOM 679 CG LEU A 42 3.761 -13.039 3.110 1.00 0.00 C ATOM 680 CD1 LEU A 42 4.952 -13.202 4.051 1.00 0.00 C ATOM 681 CD2 LEU A 42 3.300 -14.414 2.632 1.00 0.00 C ATOM 0 H LEU A 42 0.097 -12.037 5.054 1.00 0.00 H new ATOM 0 HA LEU A 42 2.608 -13.609 5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.778 -12.203 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.932 -11.166 3.785 1.00 0.00 H new ATOM 0 HG LEU A 42 4.107 -12.454 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.719 -13.805 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.361 -12.221 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.627 -13.696 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.152 -14.966 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.867 -14.964 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.551 -14.295 1.850 1.00 0.00 H new ATOM 693 N GLU A 43 3.360 -10.873 6.129 1.00 0.00 N ATOM 694 CA GLU A 43 3.795 -9.977 7.189 1.00 0.00 C ATOM 695 C GLU A 43 4.366 -8.705 6.540 1.00 0.00 C ATOM 696 O GLU A 43 5.060 -8.787 5.524 1.00 0.00 O ATOM 697 CB GLU A 43 4.857 -10.707 8.046 1.00 0.00 C ATOM 698 CG GLU A 43 6.190 -10.880 7.293 1.00 0.00 C ATOM 699 CD GLU A 43 7.088 -12.032 7.728 1.00 0.00 C ATOM 700 OE1 GLU A 43 7.387 -12.161 8.931 1.00 0.00 O ATOM 701 OE2 GLU A 43 7.609 -12.716 6.814 1.00 0.00 O ATOM 0 H GLU A 43 3.903 -10.761 5.273 1.00 0.00 H new ATOM 0 HA GLU A 43 2.968 -9.693 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.030 -10.145 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.476 -11.686 8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.966 -11.007 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.756 -9.954 7.391 1.00 0.00 H new ATOM 708 N THR A 44 4.192 -7.552 7.170 1.00 0.00 N ATOM 709 CA THR A 44 5.004 -6.348 6.977 1.00 0.00 C ATOM 710 C THR A 44 5.476 -5.887 8.347 1.00 0.00 C ATOM 711 O THR A 44 4.710 -5.954 9.310 1.00 0.00 O ATOM 712 CB THR A 44 4.216 -5.227 6.288 1.00 0.00 C ATOM 713 OG1 THR A 44 5.057 -4.133 5.981 1.00 0.00 O ATOM 714 CG2 THR A 44 3.015 -4.733 7.095 1.00 0.00 C ATOM 0 H THR A 44 3.452 -7.419 7.859 1.00 0.00 H new ATOM 0 HA THR A 44 5.847 -6.584 6.328 1.00 0.00 H new ATOM 0 HB THR A 44 3.826 -5.669 5.371 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.724 -3.679 5.179 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.508 -3.941 6.544 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.324 -5.559 7.262 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.356 -4.346 8.055 1.00 0.00 H new ATOM 722 N PRO A 45 6.710 -5.382 8.433 1.00 0.00 N ATOM 723 CA PRO A 45 7.132 -4.558 9.538 1.00 0.00 C ATOM 724 C PRO A 45 7.100 -3.048 9.194 1.00 0.00 C ATOM 725 O PRO A 45 7.353 -2.224 10.069 1.00 0.00 O ATOM 726 CB PRO A 45 8.537 -5.083 9.796 1.00 0.00 C ATOM 727 CG PRO A 45 9.088 -5.442 8.414 1.00 0.00 C ATOM 728 CD PRO A 45 7.843 -5.721 7.582 1.00 0.00 C ATOM 0 HA PRO A 45 6.482 -4.620 10.411 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.156 -4.330 10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.518 -5.954 10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.674 -4.625 7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.742 -6.313 8.459 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.840 -5.123 6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.803 -6.767 7.277 1.00 0.00 H new ATOM 736 N ALA A 46 6.810 -2.655 7.947 1.00 0.00 N ATOM 737 CA ALA A 46 6.868 -1.265 7.479 1.00 0.00 C ATOM 738 C ALA A 46 5.616 -0.499 7.932 1.00 0.00 C ATOM 739 O ALA A 46 4.692 -1.113 8.479 1.00 0.00 O ATOM 740 CB ALA A 46 6.974 -1.274 5.946 1.00 0.00 C ATOM 0 H ALA A 46 6.522 -3.310 7.220 1.00 0.00 H new ATOM 0 HA ALA A 46 7.737 -0.763 7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.018 -0.249 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.877 -1.806 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.102 -1.773 5.524 1.00 0.00 H new ATOM 746 N LYS A 47 5.509 0.814 7.662 1.00 0.00 N ATOM 747 CA LYS A 47 4.212 1.450 7.741 1.00 0.00 C ATOM 748 C LYS A 47 3.521 1.076 6.440 1.00 0.00 C ATOM 749 O LYS A 47 4.152 1.055 5.375 1.00 0.00 O ATOM 750 CB LYS A 47 4.305 2.962 7.953 1.00 0.00 C ATOM 751 CG LYS A 47 5.245 3.651 6.969 1.00 0.00 C ATOM 752 CD LYS A 47 4.881 5.089 6.633 1.00 0.00 C ATOM 753 CE LYS A 47 4.910 6.073 7.812 1.00 0.00 C ATOM 754 NZ LYS A 47 6.030 7.042 7.723 1.00 0.00 N ATOM 0 H LYS A 47 6.282 1.424 7.398 1.00 0.00 H new ATOM 0 HA LYS A 47 3.647 1.110 8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.310 3.397 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.645 3.159 8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.254 3.634 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.268 3.072 6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.566 5.449 5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.882 5.100 6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.966 6.617 7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.992 5.514 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.002 7.681 8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.934 6.528 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.940 7.597 6.848 1.00 0.00 H new ATOM 768 N VAL A 48 2.253 0.731 6.528 1.00 0.00 N ATOM 769 CA VAL A 48 1.443 0.283 5.454 1.00 0.00 C ATOM 770 C VAL A 48 0.110 0.939 5.703 1.00 0.00 C ATOM 771 O VAL A 48 -0.328 1.113 6.839 1.00 0.00 O ATOM 772 CB VAL A 48 1.347 -1.234 5.536 1.00 0.00 C ATOM 773 CG1 VAL A 48 2.651 -1.875 5.036 1.00 0.00 C ATOM 774 CG2 VAL A 48 0.943 -1.746 6.926 1.00 0.00 C ATOM 0 H VAL A 48 1.746 0.764 7.412 1.00 0.00 H new ATOM 0 HA VAL A 48 1.825 0.532 4.464 1.00 0.00 H new ATOM 0 HB VAL A 48 0.535 -1.542 4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.571 -2.960 5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.826 -1.584 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.483 -1.536 5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.894 -2.835 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.681 -1.425 7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.034 -1.342 7.193 1.00 0.00 H new ATOM 784 N TYR A 49 -0.509 1.320 4.612 1.00 0.00 N ATOM 785 CA TYR A 49 -1.712 2.108 4.593 1.00 0.00 C ATOM 786 C TYR A 49 -2.354 1.878 3.230 1.00 0.00 C ATOM 787 O TYR A 49 -1.677 1.438 2.304 1.00 0.00 O ATOM 788 CB TYR A 49 -1.329 3.578 4.777 1.00 0.00 C ATOM 789 CG TYR A 49 -0.704 3.997 6.106 1.00 0.00 C ATOM 790 CD1 TYR A 49 -1.540 4.110 7.231 1.00 0.00 C ATOM 791 CD2 TYR A 49 0.664 4.347 6.227 1.00 0.00 C ATOM 792 CE1 TYR A 49 -1.064 4.630 8.447 1.00 0.00 C ATOM 793 CE2 TYR A 49 1.124 4.926 7.425 1.00 0.00 C ATOM 794 CZ TYR A 49 0.272 5.066 8.536 1.00 0.00 C ATOM 795 OH TYR A 49 0.750 5.606 9.688 1.00 0.00 O ATOM 0 H TYR A 49 -0.174 1.079 3.679 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.407 1.835 5.387 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.632 3.843 3.982 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -2.227 4.178 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.569 3.791 7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.347 4.171 5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.717 4.695 9.305 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.146 5.268 7.492 1.00 0.00 H new ATOM 0 HH TYR A 49 1.692 5.850 9.569 1.00 0.00 H new ATOM 805 N ALA A 50 -3.638 2.160 3.058 1.00 0.00 N ATOM 806 CA ALA A 50 -4.307 1.980 1.776 1.00 0.00 C ATOM 807 C ALA A 50 -5.305 3.123 1.551 1.00 0.00 C ATOM 808 O ALA A 50 -5.805 3.706 2.516 1.00 0.00 O ATOM 809 CB ALA A 50 -4.937 0.601 1.808 1.00 0.00 C ATOM 0 H ALA A 50 -4.242 2.518 3.798 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.624 2.026 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.454 0.415 0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.160 -0.151 1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.650 0.546 2.630 1.00 0.00 H new ATOM 815 N ILE A 51 -5.565 3.477 0.291 1.00 0.00 N ATOM 816 CA ILE A 51 -6.388 4.623 -0.079 1.00 0.00 C ATOM 817 C ILE A 51 -7.857 4.256 0.049 1.00 0.00 C ATOM 818 O ILE A 51 -8.417 3.530 -0.770 1.00 0.00 O ATOM 819 CB ILE A 51 -5.995 5.155 -1.484 1.00 0.00 C ATOM 820 CG1 ILE A 51 -4.622 5.834 -1.545 1.00 0.00 C ATOM 821 CG2 ILE A 51 -6.991 6.209 -2.002 1.00 0.00 C ATOM 822 CD1 ILE A 51 -4.269 6.747 -0.376 1.00 0.00 C ATOM 0 H ILE A 51 -5.202 2.964 -0.513 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.207 5.451 0.607 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.990 4.251 -2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.859 5.058 -1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.569 6.418 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.677 6.553 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.985 5.767 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.017 7.054 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.276 7.169 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.000 7.553 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.279 6.172 0.550 1.00 0.00 H new ATOM 834 N LYS A 52 -8.477 4.856 1.067 1.00 0.00 N ATOM 835 CA LYS A 52 -9.875 4.705 1.411 1.00 0.00 C ATOM 836 C LYS A 52 -10.775 4.980 0.217 1.00 0.00 C ATOM 837 O LYS A 52 -11.558 4.110 -0.139 1.00 0.00 O ATOM 838 CB LYS A 52 -10.179 5.576 2.644 1.00 0.00 C ATOM 839 CG LYS A 52 -11.533 5.195 3.258 1.00 0.00 C ATOM 840 CD LYS A 52 -11.602 5.326 4.786 1.00 0.00 C ATOM 841 CE LYS A 52 -12.081 6.703 5.259 1.00 0.00 C ATOM 842 NZ LYS A 52 -12.557 6.647 6.659 1.00 0.00 N ATOM 0 H LYS A 52 -7.986 5.489 1.699 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.089 3.671 1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.390 5.452 3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.187 6.628 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.307 5.824 2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.765 4.166 2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.273 4.562 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.615 5.129 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.267 7.423 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.884 7.055 4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -13.103 7.505 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.162 5.811 6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.741 6.585 7.301 1.00 0.00 H new ATOM 856 N ASP A 53 -10.679 6.151 -0.414 1.00 0.00 N ATOM 857 CA ASP A 53 -11.585 6.492 -1.518 1.00 0.00 C ATOM 858 C ASP A 53 -11.464 5.476 -2.652 1.00 0.00 C ATOM 859 O ASP A 53 -12.481 5.058 -3.207 1.00 0.00 O ATOM 860 CB ASP A 53 -11.365 7.915 -2.042 1.00 0.00 C ATOM 861 CG ASP A 53 -11.970 8.969 -1.116 1.00 0.00 C ATOM 862 OD1 ASP A 53 -11.426 9.232 -0.016 1.00 0.00 O ATOM 863 OD2 ASP A 53 -13.003 9.581 -1.470 1.00 0.00 O ATOM 0 H ASP A 53 -9.994 6.872 -0.186 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.598 6.454 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.296 8.099 -2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.807 8.008 -3.034 1.00 0.00 H new ATOM 868 N ASP A 54 -10.244 5.025 -2.959 1.00 0.00 N ATOM 869 CA ASP A 54 -10.032 4.039 -4.008 1.00 0.00 C ATOM 870 C ASP A 54 -10.636 2.695 -3.624 1.00 0.00 C ATOM 871 O ASP A 54 -11.265 2.078 -4.473 1.00 0.00 O ATOM 872 CB ASP A 54 -8.542 3.877 -4.341 1.00 0.00 C ATOM 873 CG ASP A 54 -8.040 4.926 -5.333 1.00 0.00 C ATOM 874 OD1 ASP A 54 -8.665 5.991 -5.514 1.00 0.00 O ATOM 875 OD2 ASP A 54 -7.009 4.666 -6.001 1.00 0.00 O ATOM 0 H ASP A 54 -9.391 5.331 -2.492 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.538 4.406 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.960 3.944 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.373 2.883 -4.754 1.00 0.00 H new ATOM 880 N PHE A 55 -10.483 2.245 -2.377 1.00 0.00 N ATOM 881 CA PHE A 55 -10.997 0.987 -1.823 1.00 0.00 C ATOM 882 C PHE A 55 -12.516 0.935 -1.848 1.00 0.00 C ATOM 883 O PHE A 55 -13.108 -0.069 -2.242 1.00 0.00 O ATOM 884 CB PHE A 55 -10.512 0.900 -0.375 1.00 0.00 C ATOM 885 CG PHE A 55 -10.631 -0.426 0.369 1.00 0.00 C ATOM 886 CD1 PHE A 55 -10.209 -1.639 -0.202 1.00 0.00 C ATOM 887 CD2 PHE A 55 -11.088 -0.441 1.699 1.00 0.00 C ATOM 888 CE1 PHE A 55 -10.234 -2.838 0.528 1.00 0.00 C ATOM 889 CE2 PHE A 55 -11.194 -1.651 2.408 1.00 0.00 C ATOM 890 CZ PHE A 55 -10.768 -2.853 1.822 1.00 0.00 C ATOM 0 H PHE A 55 -9.964 2.782 -1.682 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.636 0.153 -2.425 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.462 1.191 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.057 1.649 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.858 -1.649 -1.223 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.360 0.486 2.181 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.843 -3.746 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -11.605 -1.655 3.407 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.852 -3.783 2.365 1.00 0.00 H new ATOM 900 N LEU A 56 -13.139 2.044 -1.459 1.00 0.00 N ATOM 901 CA LEU A 56 -14.574 2.249 -1.484 1.00 0.00 C ATOM 902 C LEU A 56 -15.041 2.168 -2.926 1.00 0.00 C ATOM 903 O LEU A 56 -15.999 1.453 -3.228 1.00 0.00 O ATOM 904 CB LEU A 56 -14.889 3.619 -0.868 1.00 0.00 C ATOM 905 CG LEU A 56 -14.566 3.690 0.635 1.00 0.00 C ATOM 906 CD1 LEU A 56 -14.512 5.162 1.057 1.00 0.00 C ATOM 907 CD2 LEU A 56 -15.662 3.010 1.466 1.00 0.00 C ATOM 0 H LEU A 56 -12.632 2.855 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.095 1.487 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.321 4.387 -1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.945 3.845 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.615 3.186 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.284 5.227 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.737 5.676 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.476 5.632 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.409 3.074 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.615 3.509 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.742 1.963 1.175 1.00 0.00 H new ATOM 919 N ALA A 57 -14.318 2.824 -3.840 1.00 0.00 N ATOM 920 CA ALA A 57 -14.588 2.703 -5.261 1.00 0.00 C ATOM 921 C ALA A 57 -14.303 1.284 -5.766 1.00 0.00 C ATOM 922 O ALA A 57 -14.885 0.858 -6.771 1.00 0.00 O ATOM 923 CB ALA A 57 -13.780 3.738 -6.049 1.00 0.00 C ATOM 0 H ALA A 57 -13.541 3.444 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.648 2.899 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -13.994 3.634 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.054 4.740 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.716 3.578 -5.876 1.00 0.00 H new ATOM 929 N ARG A 58 -13.472 0.506 -5.064 1.00 0.00 N ATOM 930 CA ARG A 58 -13.167 -0.875 -5.431 1.00 0.00 C ATOM 931 C ARG A 58 -14.063 -1.827 -4.638 1.00 0.00 C ATOM 932 O ARG A 58 -13.699 -2.991 -4.483 1.00 0.00 O ATOM 933 CB ARG A 58 -11.671 -1.134 -5.098 1.00 0.00 C ATOM 934 CG ARG A 58 -10.815 -1.647 -6.263 1.00 0.00 C ATOM 935 CD ARG A 58 -10.912 -3.166 -6.418 1.00 0.00 C ATOM 936 NE ARG A 58 -12.256 -3.584 -6.837 1.00 0.00 N ATOM 937 CZ ARG A 58 -12.771 -3.457 -8.065 1.00 0.00 C ATOM 938 NH1 ARG A 58 -12.002 -3.169 -9.109 1.00 0.00 N ATOM 939 NH2 ARG A 58 -14.077 -3.614 -8.231 1.00 0.00 N ATOM 0 H ARG A 58 -12.991 0.821 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.348 -1.043 -6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.233 -0.207 -4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.618 -1.858 -4.285 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.135 -1.167 -7.188 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.775 -1.365 -6.101 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.180 -3.504 -7.152 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.660 -3.645 -5.472 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.851 -4.010 -6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.998 -3.040 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -12.415 -3.077 -10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.671 -3.828 -7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.488 -3.521 -9.160 1.00 0.00 H new ATOM 953 N GLY A 59 -15.312 -1.437 -4.381 1.00 0.00 N ATOM 954 CA GLY A 59 -16.331 -2.260 -3.760 1.00 0.00 C ATOM 955 C GLY A 59 -15.842 -3.071 -2.560 1.00 0.00 C ATOM 956 O GLY A 59 -16.039 -4.288 -2.559 1.00 0.00 O ATOM 0 H GLY A 59 -15.647 -0.502 -4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -17.153 -1.620 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.733 -2.945 -4.507 1.00 0.00 H new ATOM 960 N TYR A 60 -15.258 -2.411 -1.558 1.00 0.00 N ATOM 961 CA TYR A 60 -15.005 -2.929 -0.225 1.00 0.00 C ATOM 962 C TYR A 60 -15.643 -1.968 0.784 1.00 0.00 C ATOM 963 O TYR A 60 -15.871 -0.798 0.465 1.00 0.00 O ATOM 964 CB TYR A 60 -13.499 -2.970 0.009 1.00 0.00 C ATOM 965 CG TYR A 60 -12.730 -4.064 -0.713 1.00 0.00 C ATOM 966 CD1 TYR A 60 -12.184 -3.818 -1.986 1.00 0.00 C ATOM 967 CD2 TYR A 60 -12.464 -5.289 -0.069 1.00 0.00 C ATOM 968 CE1 TYR A 60 -11.447 -4.816 -2.651 1.00 0.00 C ATOM 969 CE2 TYR A 60 -11.735 -6.293 -0.732 1.00 0.00 C ATOM 970 CZ TYR A 60 -11.235 -6.069 -2.032 1.00 0.00 C ATOM 971 OH TYR A 60 -10.524 -7.052 -2.659 1.00 0.00 O ATOM 0 H TYR A 60 -14.934 -1.450 -1.667 1.00 0.00 H new ATOM 0 HA TYR A 60 -15.421 -3.930 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -13.082 -2.008 -0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.323 -3.079 1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.331 -2.857 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -12.821 -5.457 0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.043 -4.624 -3.634 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -11.557 -7.240 -0.243 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.018 -6.665 -3.404 1.00 0.00 H new ATOM 981 N SER A 61 -15.837 -2.417 2.023 1.00 0.00 N ATOM 982 CA SER A 61 -16.248 -1.612 3.166 1.00 0.00 C ATOM 983 C SER A 61 -15.018 -1.415 4.067 1.00 0.00 C ATOM 984 O SER A 61 -13.991 -2.058 3.850 1.00 0.00 O ATOM 985 CB SER A 61 -17.426 -2.334 3.834 1.00 0.00 C ATOM 986 OG SER A 61 -18.078 -1.549 4.815 1.00 0.00 O ATOM 0 H SER A 61 -15.705 -3.399 2.266 1.00 0.00 H new ATOM 0 HA SER A 61 -16.599 -0.614 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 61 -18.148 -2.622 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.066 -3.254 4.295 1.00 0.00 H new ATOM 0 HG SER A 61 -18.819 -2.060 5.203 1.00 0.00 H new ATOM 992 N GLU A 62 -15.061 -0.499 5.036 1.00 0.00 N ATOM 993 CA GLU A 62 -13.856 0.014 5.670 1.00 0.00 C ATOM 994 C GLU A 62 -13.165 -1.096 6.456 1.00 0.00 C ATOM 995 O GLU A 62 -11.948 -1.286 6.360 1.00 0.00 O ATOM 996 CB GLU A 62 -14.175 1.208 6.586 1.00 0.00 C ATOM 997 CG GLU A 62 -14.714 2.419 5.812 1.00 0.00 C ATOM 998 CD GLU A 62 -14.772 3.682 6.676 1.00 0.00 C ATOM 999 OE1 GLU A 62 -13.708 4.174 7.123 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -15.870 4.254 6.849 1.00 0.00 O ATOM 0 H GLU A 62 -15.926 -0.098 5.397 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.182 0.366 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -14.909 0.903 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.273 1.498 7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.081 2.604 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.712 2.192 5.436 1.00 0.00 H new ATOM 1007 N GLU A 63 -13.942 -1.873 7.211 1.00 0.00 N ATOM 1008 CA GLU A 63 -13.378 -2.898 8.072 1.00 0.00 C ATOM 1009 C GLU A 63 -12.855 -4.114 7.291 1.00 0.00 C ATOM 1010 O GLU A 63 -12.207 -4.975 7.893 1.00 0.00 O ATOM 1011 CB GLU A 63 -14.372 -3.324 9.163 1.00 0.00 C ATOM 1012 CG GLU A 63 -14.117 -2.616 10.501 1.00 0.00 C ATOM 1013 CD GLU A 63 -14.683 -3.436 11.652 1.00 0.00 C ATOM 1014 OE1 GLU A 63 -14.025 -4.443 12.004 1.00 0.00 O ATOM 1015 OE2 GLU A 63 -15.763 -3.089 12.180 1.00 0.00 O ATOM 0 H GLU A 63 -14.960 -1.808 7.240 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.513 -2.446 8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.387 -3.108 8.829 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.307 -4.402 9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.046 -2.468 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.576 -1.628 10.490 1.00 0.00 H new ATOM 1022 N ASP A 64 -13.105 -4.182 5.976 1.00 0.00 N ATOM 1023 CA ASP A 64 -12.666 -5.282 5.113 1.00 0.00 C ATOM 1024 C ASP A 64 -11.148 -5.257 4.907 1.00 0.00 C ATOM 1025 O ASP A 64 -10.542 -6.282 4.577 1.00 0.00 O ATOM 1026 CB ASP A 64 -13.328 -5.224 3.723 1.00 0.00 C ATOM 1027 CG ASP A 64 -14.833 -5.480 3.688 1.00 0.00 C ATOM 1028 OD1 ASP A 64 -15.378 -6.098 4.632 1.00 0.00 O ATOM 1029 OD2 ASP A 64 -15.488 -5.102 2.692 1.00 0.00 O ATOM 0 H ASP A 64 -13.626 -3.462 5.476 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.964 -6.198 5.623 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.136 -4.241 3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.840 -5.955 3.079 1.00 0.00 H new ATOM 1034 N SER A 65 -10.529 -4.081 5.054 1.00 0.00 N ATOM 1035 CA SER A 65 -9.101 -3.894 4.872 1.00 0.00 C ATOM 1036 C SER A 65 -8.400 -4.270 6.171 1.00 0.00 C ATOM 1037 O SER A 65 -8.647 -3.619 7.195 1.00 0.00 O ATOM 1038 CB SER A 65 -8.805 -2.427 4.515 1.00 0.00 C ATOM 1039 OG SER A 65 -7.458 -2.047 4.700 1.00 0.00 O ATOM 0 H SER A 65 -11.021 -3.224 5.307 1.00 0.00 H new ATOM 0 HA SER A 65 -8.740 -4.524 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.080 -2.256 3.474 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.440 -1.782 5.122 1.00 0.00 H new ATOM 0 HG SER A 65 -7.366 -1.573 5.553 1.00 0.00 H new ATOM 1045 N LYS A 66 -7.452 -5.212 6.127 1.00 0.00 N ATOM 1046 CA LYS A 66 -6.593 -5.492 7.279 1.00 0.00 C ATOM 1047 C LYS A 66 -5.390 -4.551 7.343 1.00 0.00 C ATOM 1048 O LYS A 66 -4.313 -4.962 7.779 1.00 0.00 O ATOM 1049 CB LYS A 66 -6.186 -6.979 7.252 1.00 0.00 C ATOM 1050 CG LYS A 66 -5.275 -7.407 6.084 1.00 0.00 C ATOM 1051 CD LYS A 66 -4.051 -8.258 6.467 1.00 0.00 C ATOM 1052 CE LYS A 66 -3.838 -9.428 5.492 1.00 0.00 C ATOM 1053 NZ LYS A 66 -4.893 -10.455 5.669 1.00 0.00 N ATOM 0 H LYS A 66 -7.262 -5.791 5.309 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.151 -5.303 8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.679 -7.214 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.093 -7.583 7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.874 -7.968 5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.925 -6.510 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.161 -7.629 6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.181 -8.646 7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.850 -9.060 4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.858 -9.874 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.703 -11.260 5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.897 -10.782 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.820 -10.044 5.437 1.00 0.00 H new ATOM 1067 N VAL A 67 -5.562 -3.278 6.988 1.00 0.00 N ATOM 1068 CA VAL A 67 -4.563 -2.216 7.103 1.00 0.00 C ATOM 1069 C VAL A 67 -5.314 -0.905 7.335 1.00 0.00 C ATOM 1070 O VAL A 67 -6.519 -0.835 7.054 1.00 0.00 O ATOM 1071 CB VAL A 67 -3.608 -2.144 5.875 1.00 0.00 C ATOM 1072 CG1 VAL A 67 -3.210 -3.516 5.314 1.00 0.00 C ATOM 1073 CG2 VAL A 67 -4.113 -1.287 4.704 1.00 0.00 C ATOM 0 H VAL A 67 -6.442 -2.944 6.594 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.903 -2.425 7.945 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.735 -1.655 6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.545 -3.381 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.698 -4.090 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.104 -4.052 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.378 -1.301 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.058 -1.690 4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.262 -0.261 5.042 1.00 0.00 H new ATOM 1083 N PRO A 68 -4.632 0.137 7.829 1.00 0.00 N ATOM 1084 CA PRO A 68 -5.229 1.423 8.080 1.00 0.00 C ATOM 1085 C PRO A 68 -5.533 2.119 6.768 1.00 0.00 C ATOM 1086 O PRO A 68 -4.657 2.403 5.946 1.00 0.00 O ATOM 1087 CB PRO A 68 -4.266 2.161 9.007 1.00 0.00 C ATOM 1088 CG PRO A 68 -2.949 1.388 8.972 1.00 0.00 C ATOM 1089 CD PRO A 68 -3.201 0.225 8.026 1.00 0.00 C ATOM 0 HA PRO A 68 -6.198 1.366 8.576 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.121 3.189 8.676 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.662 2.206 10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.132 2.016 8.617 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.671 1.036 9.965 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.691 0.384 7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.812 -0.703 8.445 1.00 0.00 H new ATOM 1097 N LEU A 69 -6.818 2.388 6.587 1.00 0.00 N ATOM 1098 CA LEU A 69 -7.338 3.140 5.477 1.00 0.00 C ATOM 1099 C LEU A 69 -7.098 4.598 5.791 1.00 0.00 C ATOM 1100 O LEU A 69 -7.528 5.105 6.831 1.00 0.00 O ATOM 1101 CB LEU A 69 -8.838 2.867 5.312 1.00 0.00 C ATOM 1102 CG LEU A 69 -9.226 1.420 5.005 1.00 0.00 C ATOM 1103 CD1 LEU A 69 -10.748 1.337 4.904 1.00 0.00 C ATOM 1104 CD2 LEU A 69 -8.597 0.986 3.689 1.00 0.00 C ATOM 0 H LEU A 69 -7.542 2.075 7.234 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.849 2.858 4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.345 3.172 6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.217 3.502 4.511 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.869 0.762 5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.043 0.311 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.193 1.649 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.096 1.992 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.876 -0.046 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.951 1.632 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.512 1.060 3.762 1.00 0.00 H new ATOM 1116 N ILE A 70 -6.374 5.237 4.890 1.00 0.00 N ATOM 1117 CA ILE A 70 -6.012 6.647 4.920 1.00 0.00 C ATOM 1118 C ILE A 70 -6.577 7.357 3.687 1.00 0.00 C ATOM 1119 O ILE A 70 -7.058 6.700 2.759 1.00 0.00 O ATOM 1120 CB ILE A 70 -4.482 6.801 5.083 1.00 0.00 C ATOM 1121 CG1 ILE A 70 -3.681 6.526 3.789 1.00 0.00 C ATOM 1122 CG2 ILE A 70 -4.001 5.949 6.271 1.00 0.00 C ATOM 1123 CD1 ILE A 70 -2.187 6.853 3.903 1.00 0.00 C ATOM 0 H ILE A 70 -6.000 4.760 4.069 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.459 7.134 5.787 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.281 7.851 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.794 5.476 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.110 7.112 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.922 6.059 6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.497 6.282 7.182 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.242 4.902 6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.693 6.634 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.063 7.909 4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.741 6.248 4.693 1.00 0.00 H new ATOM 1135 N THR A 71 -6.533 8.686 3.670 1.00 0.00 N ATOM 1136 CA THR A 71 -6.908 9.472 2.505 1.00 0.00 C ATOM 1137 C THR A 71 -5.722 9.593 1.540 1.00 0.00 C ATOM 1138 O THR A 71 -4.573 9.342 1.917 1.00 0.00 O ATOM 1139 CB THR A 71 -7.378 10.857 2.974 1.00 0.00 C ATOM 1140 OG1 THR A 71 -6.511 11.387 3.961 1.00 0.00 O ATOM 1141 CG2 THR A 71 -8.791 10.759 3.543 1.00 0.00 C ATOM 0 H THR A 71 -6.235 9.247 4.468 1.00 0.00 H new ATOM 0 HA THR A 71 -7.720 8.979 1.971 1.00 0.00 H new ATOM 0 HB THR A 71 -7.369 11.524 2.112 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.139 12.238 3.647 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.119 11.744 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.469 10.391 2.773 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.796 10.072 4.389 1.00 0.00 H new ATOM 1149 N TYR A 72 -5.960 10.077 0.313 1.00 0.00 N ATOM 1150 CA TYR A 72 -4.863 10.409 -0.600 1.00 0.00 C ATOM 1151 C TYR A 72 -3.899 11.397 0.043 1.00 0.00 C ATOM 1152 O TYR A 72 -2.699 11.283 -0.153 1.00 0.00 O ATOM 1153 CB TYR A 72 -5.366 11.040 -1.898 1.00 0.00 C ATOM 1154 CG TYR A 72 -5.783 10.069 -2.975 1.00 0.00 C ATOM 1155 CD1 TYR A 72 -7.073 9.523 -2.954 1.00 0.00 C ATOM 1156 CD2 TYR A 72 -4.918 9.790 -4.050 1.00 0.00 C ATOM 1157 CE1 TYR A 72 -7.545 8.775 -4.044 1.00 0.00 C ATOM 1158 CE2 TYR A 72 -5.377 9.040 -5.142 1.00 0.00 C ATOM 1159 CZ TYR A 72 -6.708 8.573 -5.162 1.00 0.00 C ATOM 1160 OH TYR A 72 -7.176 7.924 -6.261 1.00 0.00 O ATOM 0 H TYR A 72 -6.892 10.245 -0.065 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.361 9.467 -0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.215 11.682 -1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.581 11.682 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.708 9.678 -2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.901 10.154 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -8.541 8.357 -4.027 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -4.714 8.820 -5.965 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.991 7.432 -6.028 1.00 0.00 H new ATOM 1170 N SER A 73 -4.396 12.387 0.776 1.00 0.00 N ATOM 1171 CA SER A 73 -3.541 13.434 1.297 1.00 0.00 C ATOM 1172 C SER A 73 -2.666 12.932 2.441 1.00 0.00 C ATOM 1173 O SER A 73 -1.516 13.355 2.562 1.00 0.00 O ATOM 1174 CB SER A 73 -4.429 14.599 1.688 1.00 0.00 C ATOM 1175 OG SER A 73 -5.433 14.232 2.618 1.00 0.00 O ATOM 0 H SER A 73 -5.382 12.482 1.019 1.00 0.00 H new ATOM 0 HA SER A 73 -2.835 13.767 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.815 15.391 2.116 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.899 15.008 0.794 1.00 0.00 H new ATOM 0 HG SER A 73 -5.977 15.017 2.839 1.00 0.00 H new ATOM 1181 N GLU A 74 -3.177 11.995 3.236 1.00 0.00 N ATOM 1182 CA GLU A 74 -2.386 11.298 4.236 1.00 0.00 C ATOM 1183 C GLU A 74 -1.296 10.470 3.559 1.00 0.00 C ATOM 1184 O GLU A 74 -0.227 10.318 4.132 1.00 0.00 O ATOM 1185 CB GLU A 74 -3.311 10.453 5.119 1.00 0.00 C ATOM 1186 CG GLU A 74 -3.857 11.277 6.292 1.00 0.00 C ATOM 1187 CD GLU A 74 -2.933 11.236 7.514 1.00 0.00 C ATOM 1188 OE1 GLU A 74 -1.702 11.408 7.387 1.00 0.00 O ATOM 1189 OE2 GLU A 74 -3.444 11.031 8.645 1.00 0.00 O ATOM 0 H GLU A 74 -4.153 11.700 3.202 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.880 12.014 4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.139 10.070 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.766 9.589 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.990 12.311 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.841 10.900 6.571 1.00 0.00 H new ATOM 1196 N PHE A 75 -1.524 9.972 2.342 1.00 0.00 N ATOM 1197 CA PHE A 75 -0.506 9.295 1.549 1.00 0.00 C ATOM 1198 C PHE A 75 0.531 10.276 1.010 1.00 0.00 C ATOM 1199 O PHE A 75 1.712 9.943 1.040 1.00 0.00 O ATOM 1200 CB PHE A 75 -1.194 8.495 0.441 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.400 8.107 -0.795 1.00 0.00 C ATOM 1202 CD1 PHE A 75 0.868 7.506 -0.691 1.00 0.00 C ATOM 1203 CD2 PHE A 75 -1.004 8.230 -2.061 1.00 0.00 C ATOM 1204 CE1 PHE A 75 1.468 6.925 -1.818 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.421 7.617 -3.184 1.00 0.00 C ATOM 1206 CZ PHE A 75 0.800 6.929 -3.052 1.00 0.00 C ATOM 0 H PHE A 75 -2.431 10.030 1.878 1.00 0.00 H new ATOM 0 HA PHE A 75 0.049 8.602 2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.575 7.577 0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.058 9.071 0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.381 7.492 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.917 8.796 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.446 6.474 -1.736 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.909 7.674 -4.146 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.221 6.406 -3.898 1.00 0.00 H new ATOM 1216 N ILE A 76 0.138 11.467 0.544 1.00 0.00 N ATOM 1217 CA ILE A 76 1.104 12.439 0.032 1.00 0.00 C ATOM 1218 C ILE A 76 2.113 12.809 1.126 1.00 0.00 C ATOM 1219 O ILE A 76 3.300 12.901 0.816 1.00 0.00 O ATOM 1220 CB ILE A 76 0.402 13.679 -0.578 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.551 13.341 -1.750 1.00 0.00 C ATOM 1222 CG2 ILE A 76 1.430 14.722 -1.053 1.00 0.00 C ATOM 1223 CD1 ILE A 76 0.021 12.433 -2.849 1.00 0.00 C ATOM 0 H ILE A 76 -0.833 11.777 0.512 1.00 0.00 H new ATOM 0 HA ILE A 76 1.660 11.979 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.205 14.089 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.442 12.864 -1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.873 14.275 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.908 15.580 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.036 15.047 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.074 14.278 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.737 12.267 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.892 12.910 -3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.314 11.477 -2.415 1.00 0.00 H new ATOM 1235 N ASP A 77 1.678 12.941 2.388 1.00 0.00 N ATOM 1236 CA ASP A 77 2.574 13.189 3.527 1.00 0.00 C ATOM 1237 C ASP A 77 3.638 12.107 3.642 1.00 0.00 C ATOM 1238 O ASP A 77 4.781 12.374 4.015 1.00 0.00 O ATOM 1239 CB ASP A 77 1.776 13.238 4.832 1.00 0.00 C ATOM 1240 CG ASP A 77 2.660 13.186 6.087 1.00 0.00 C ATOM 1241 OD1 ASP A 77 3.571 14.031 6.252 1.00 0.00 O ATOM 1242 OD2 ASP A 77 2.400 12.325 6.961 1.00 0.00 O ATOM 0 H ASP A 77 0.694 12.879 2.648 1.00 0.00 H new ATOM 0 HA ASP A 77 3.062 14.148 3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.182 14.152 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.077 12.402 4.854 1.00 0.00 H new ATOM 1247 N LEU A 78 3.277 10.872 3.293 1.00 0.00 N ATOM 1248 CA LEU A 78 4.190 9.744 3.350 1.00 0.00 C ATOM 1249 C LEU A 78 5.208 9.755 2.203 1.00 0.00 C ATOM 1250 O LEU A 78 6.053 8.856 2.149 1.00 0.00 O ATOM 1251 CB LEU A 78 3.436 8.406 3.407 1.00 0.00 C ATOM 1252 CG LEU A 78 2.440 8.295 4.569 1.00 0.00 C ATOM 1253 CD1 LEU A 78 1.671 6.980 4.454 1.00 0.00 C ATOM 1254 CD2 LEU A 78 3.115 8.397 5.936 1.00 0.00 C ATOM 0 H LEU A 78 2.342 10.632 2.964 1.00 0.00 H new ATOM 0 HA LEU A 78 4.753 9.851 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.900 8.264 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.161 7.596 3.486 1.00 0.00 H new ATOM 0 HG LEU A 78 1.753 9.138 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.963 6.899 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.130 6.956 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.370 6.145 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.363 8.312 6.720 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.843 7.593 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.621 9.359 6.021 1.00 0.00 H new ATOM 1266 N LEU A 79 5.131 10.737 1.298 1.00 0.00 N ATOM 1267 CA LEU A 79 6.090 11.003 0.239 1.00 0.00 C ATOM 1268 C LEU A 79 6.852 12.264 0.623 1.00 0.00 C ATOM 1269 O LEU A 79 7.908 12.179 1.239 1.00 0.00 O ATOM 1270 CB LEU A 79 5.428 11.111 -1.150 1.00 0.00 C ATOM 1271 CG LEU A 79 4.435 9.990 -1.504 1.00 0.00 C ATOM 1272 CD1 LEU A 79 3.812 10.281 -2.874 1.00 0.00 C ATOM 1273 CD2 LEU A 79 5.117 8.617 -1.510 1.00 0.00 C ATOM 0 H LEU A 79 4.354 11.398 1.291 1.00 0.00 H new ATOM 0 HA LEU A 79 6.780 10.165 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.906 12.066 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.213 11.128 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 79 3.655 9.964 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.108 9.489 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.288 11.236 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.597 10.325 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.386 7.849 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.919 8.613 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.531 8.412 -0.523 1.00 0.00 H new ATOM 1285 N GLU A 80 6.300 13.439 0.312 1.00 0.00 N ATOM 1286 CA GLU A 80 6.907 14.755 0.476 1.00 0.00 C ATOM 1287 C GLU A 80 8.330 14.793 -0.078 1.00 0.00 C ATOM 1288 O GLU A 80 8.515 15.053 -1.267 1.00 0.00 O ATOM 1289 CB GLU A 80 6.735 15.260 1.922 1.00 0.00 C ATOM 1290 CG GLU A 80 5.243 15.490 2.211 1.00 0.00 C ATOM 1291 CD GLU A 80 4.636 16.667 1.432 1.00 0.00 C ATOM 1292 OE1 GLU A 80 5.347 17.665 1.168 1.00 0.00 O ATOM 1293 OE2 GLU A 80 3.430 16.622 1.109 1.00 0.00 O ATOM 0 H GLU A 80 5.362 13.497 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 80 6.373 15.482 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.144 14.533 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.291 16.187 2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.691 14.582 1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.112 15.667 3.279 1.00 0.00 H new ATOM 1300 N GLY A 81 9.328 14.570 0.767 1.00 0.00 N ATOM 1301 CA GLY A 81 10.751 14.587 0.443 1.00 0.00 C ATOM 1302 C GLY A 81 11.363 13.190 0.341 1.00 0.00 C ATOM 1303 O GLY A 81 12.583 13.062 0.427 1.00 0.00 O ATOM 0 H GLY A 81 9.159 14.361 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.895 15.110 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.284 15.155 1.206 1.00 0.00 H new ATOM 1307 N GLU A 82 10.560 12.139 0.179 1.00 0.00 N ATOM 1308 CA GLU A 82 10.934 10.737 0.116 1.00 0.00 C ATOM 1309 C GLU A 82 10.336 10.301 -1.204 1.00 0.00 C ATOM 1310 O GLU A 82 9.129 10.444 -1.394 1.00 0.00 O ATOM 1311 CB GLU A 82 10.346 9.868 1.249 1.00 0.00 C ATOM 1312 CG GLU A 82 10.989 10.061 2.640 1.00 0.00 C ATOM 1313 CD GLU A 82 11.839 8.854 3.076 1.00 0.00 C ATOM 1314 OE1 GLU A 82 12.673 8.369 2.275 1.00 0.00 O ATOM 1315 OE2 GLU A 82 11.693 8.360 4.218 1.00 0.00 O ATOM 0 H GLU A 82 9.552 12.262 0.081 1.00 0.00 H new ATOM 0 HA GLU A 82 12.013 10.618 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.280 10.080 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.443 8.820 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.614 10.954 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.205 10.233 3.377 1.00 0.00 H new ATOM 1322 N GLU A 83 11.154 9.792 -2.117 1.00 0.00 N ATOM 1323 CA GLU A 83 10.720 9.407 -3.454 1.00 0.00 C ATOM 1324 C GLU A 83 11.324 8.058 -3.862 1.00 0.00 C ATOM 1325 O GLU A 83 12.091 7.965 -4.830 1.00 0.00 O ATOM 1326 CB GLU A 83 11.030 10.536 -4.449 1.00 0.00 C ATOM 1327 CG GLU A 83 12.422 11.134 -4.218 1.00 0.00 C ATOM 1328 CD GLU A 83 13.089 11.578 -5.519 1.00 0.00 C ATOM 1329 OE1 GLU A 83 13.197 10.760 -6.473 1.00 0.00 O ATOM 1330 OE2 GLU A 83 13.528 12.741 -5.612 1.00 0.00 O ATOM 0 H GLU A 83 12.147 9.633 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 83 9.640 9.263 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.964 10.151 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.278 11.319 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.341 11.988 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.053 10.397 -3.722 1.00 0.00 H new ATOM 1337 N LYS A 84 11.018 6.985 -3.119 1.00 0.00 N ATOM 1338 CA LYS A 84 11.530 5.660 -3.506 1.00 0.00 C ATOM 1339 C LYS A 84 10.614 4.492 -3.145 1.00 0.00 C ATOM 1340 O LYS A 84 11.106 3.379 -2.943 1.00 0.00 O ATOM 1341 CB LYS A 84 12.930 5.509 -2.869 1.00 0.00 C ATOM 1342 CG LYS A 84 12.903 5.415 -1.327 1.00 0.00 C ATOM 1343 CD LYS A 84 13.790 6.446 -0.616 1.00 0.00 C ATOM 1344 CE LYS A 84 13.307 7.872 -0.895 1.00 0.00 C ATOM 1345 NZ LYS A 84 13.973 8.870 -0.036 1.00 0.00 N ATOM 0 H LYS A 84 10.441 7.002 -2.278 1.00 0.00 H new ATOM 0 HA LYS A 84 11.580 5.615 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.408 4.615 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.546 6.359 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.876 5.540 -0.985 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.219 4.415 -1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.782 6.259 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.821 6.336 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.491 8.117 -1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.229 7.925 -0.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.065 9.767 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.406 9.022 0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.918 8.525 0.229 1.00 0.00 H new ATOM 1359 N PHE A 85 9.299 4.685 -3.253 1.00 0.00 N ATOM 1360 CA PHE A 85 8.275 3.701 -2.921 1.00 0.00 C ATOM 1361 C PHE A 85 6.927 4.399 -3.038 1.00 0.00 C ATOM 1362 O PHE A 85 6.289 4.777 -2.058 1.00 0.00 O ATOM 1363 CB PHE A 85 8.501 3.013 -1.559 1.00 0.00 C ATOM 1364 CG PHE A 85 9.215 3.781 -0.446 1.00 0.00 C ATOM 1365 CD1 PHE A 85 8.851 5.096 -0.103 1.00 0.00 C ATOM 1366 CD2 PHE A 85 10.280 3.169 0.246 1.00 0.00 C ATOM 1367 CE1 PHE A 85 9.571 5.809 0.869 1.00 0.00 C ATOM 1368 CE2 PHE A 85 10.997 3.877 1.227 1.00 0.00 C ATOM 1369 CZ PHE A 85 10.658 5.208 1.517 1.00 0.00 C ATOM 0 H PHE A 85 8.906 5.565 -3.587 1.00 0.00 H new ATOM 0 HA PHE A 85 8.320 2.868 -3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.525 2.713 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.066 2.099 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.009 5.562 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.548 2.147 0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.287 6.821 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.807 3.398 1.756 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.234 5.768 2.239 1.00 0.00 H new ATOM 1379 N ILE A 86 6.536 4.651 -4.279 1.00 0.00 N ATOM 1380 CA ILE A 86 5.335 5.398 -4.644 1.00 0.00 C ATOM 1381 C ILE A 86 4.352 4.406 -5.265 1.00 0.00 C ATOM 1382 O ILE A 86 4.681 3.231 -5.448 1.00 0.00 O ATOM 1383 CB ILE A 86 5.664 6.538 -5.633 1.00 0.00 C ATOM 1384 CG1 ILE A 86 7.120 7.034 -5.605 1.00 0.00 C ATOM 1385 CG2 ILE A 86 4.728 7.741 -5.436 1.00 0.00 C ATOM 1386 CD1 ILE A 86 7.548 7.666 -4.285 1.00 0.00 C ATOM 0 H ILE A 86 7.064 4.330 -5.091 1.00 0.00 H new ATOM 0 HA ILE A 86 4.900 5.866 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 86 5.509 6.082 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.781 6.195 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.258 7.763 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.988 8.524 -6.148 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.696 7.430 -5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.835 8.123 -4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.587 7.987 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.916 8.528 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.447 6.936 -3.482 1.00 0.00 H new ATOM 1398 N GLY A 87 3.185 4.867 -5.703 1.00 0.00 N ATOM 1399 CA GLY A 87 2.491 4.181 -6.764 1.00 0.00 C ATOM 1400 C GLY A 87 1.023 4.454 -6.815 1.00 0.00 C ATOM 1401 O GLY A 87 0.623 5.570 -6.417 1.00 0.00 O ATOM 0 H GLY A 87 2.715 5.697 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.935 4.467 -7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.646 3.108 -6.649 1.00 0.00 H new TER 1405 GLY A 87