USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 788 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 82 SER OG : rot -178:sc= -3.45! USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -0.43 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0408 USER MOD Single : A 12 HIS : no HD1:sc= -4.15! C(o=-4.2!,f=-6!) USER MOD Single : A 20 ASN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.0704 K(o=-0.07,f=-0.94) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0357 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0187) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0743 USER MOD Single : A 60 ASN : amide:sc= -3.13 K(o=-3.1,f=-4.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -2.4 X(o=-2.4,f=-2.6!) USER MOD Single : A 69 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 73 SER OG : rot -70:sc= 0.933 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -12:sc= -0.274 USER MOD Single : A 77 ASN : amide:sc= -3.86! C(o=-3.9!,f=-6.6!) USER MOD Single : A 79 THR OG1 : 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= 0.037 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 9.480 9.584 -14.264 1.00 0.00 N ATOM 2 CA ARG A 1 9.266 10.693 -13.297 1.00 0.00 C ATOM 3 C ARG A 1 9.449 10.214 -11.860 1.00 0.00 C ATOM 4 O ARG A 1 8.603 9.501 -11.319 1.00 0.00 O ATOM 5 CB ARG A 1 7.852 11.243 -13.493 1.00 0.00 C ATOM 6 CG ARG A 1 7.773 12.369 -14.510 1.00 0.00 C ATOM 7 CD ARG A 1 6.654 13.343 -14.176 1.00 0.00 C ATOM 8 NE ARG A 1 6.050 13.914 -15.378 1.00 0.00 N ATOM 9 CZ ARG A 1 4.957 14.675 -15.368 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.347 14.957 -14.225 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.474 15.154 -16.506 1.00 0.00 N ATOM 0 H1 ARG A 1 9.349 9.938 -15.233 1.00 0.00 H new ATOM 0 H2 ARG A 1 10.446 9.213 -14.158 1.00 0.00 H new ATOM 0 H3 ARG A 1 8.795 8.824 -14.078 1.00 0.00 H new ATOM 0 HA ARG A 1 10.003 11.475 -13.479 1.00 0.00 H new ATOM 0 HB2 ARG A 1 7.196 10.432 -13.810 1.00 0.00 H new ATOM 0 HB3 ARG A 1 7.475 11.602 -12.535 1.00 0.00 H new ATOM 0 HG2 ARG A 1 8.724 12.901 -14.540 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.610 11.952 -15.504 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.888 12.830 -13.594 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.046 14.145 -13.551 1.00 0.00 H new ATOM 0 HE ARG A 1 6.491 13.718 -16.277 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.714 14.591 -13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.510 15.540 -14.224 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.939 14.940 -17.388 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.637 15.737 -16.500 1.00 0.00 H new ATOM 27 N ASP A 2 10.560 10.610 -11.247 1.00 0.00 N ATOM 28 CA ASP A 2 10.854 10.221 -9.873 1.00 0.00 C ATOM 29 C ASP A 2 9.797 10.764 -8.916 1.00 0.00 C ATOM 30 O ASP A 2 9.909 11.887 -8.424 1.00 0.00 O ATOM 31 CB ASP A 2 12.238 10.728 -9.463 1.00 0.00 C ATOM 32 CG ASP A 2 13.332 9.720 -9.756 1.00 0.00 C ATOM 33 OD1 ASP A 2 13.416 9.254 -10.911 1.00 0.00 O ATOM 34 OD2 ASP A 2 14.106 9.398 -8.831 1.00 0.00 O ATOM 0 H ASP A 2 11.271 11.200 -11.680 1.00 0.00 H new ATOM 0 HA ASP A 2 10.842 9.132 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.453 11.657 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.237 10.959 -8.398 1.00 0.00 H new ATOM 39 N SER A 3 8.772 9.960 -8.657 1.00 0.00 N ATOM 40 CA SER A 3 7.695 10.359 -7.759 1.00 0.00 C ATOM 41 C SER A 3 8.154 10.317 -6.304 1.00 0.00 C ATOM 42 O SER A 3 8.294 11.354 -5.657 1.00 0.00 O ATOM 43 CB SER A 3 6.480 9.450 -7.949 1.00 0.00 C ATOM 44 OG SER A 3 5.588 9.982 -8.913 1.00 0.00 O ATOM 0 H SER A 3 8.664 9.028 -9.056 1.00 0.00 H new ATOM 0 HA SER A 3 7.415 11.384 -8.003 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.809 8.459 -8.262 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.961 9.328 -6.998 1.00 0.00 H new ATOM 0 HG SER A 3 4.821 9.381 -9.016 1.00 0.00 H new ATOM 50 N GLY A 4 8.386 9.110 -5.798 1.00 0.00 N ATOM 51 CA GLY A 4 8.827 8.956 -4.424 1.00 0.00 C ATOM 52 C GLY A 4 9.955 7.952 -4.285 1.00 0.00 C ATOM 53 O GLY A 4 10.171 7.125 -5.170 1.00 0.00 O ATOM 0 H GLY A 4 8.277 8.237 -6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.156 9.922 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.985 8.639 -3.809 1.00 0.00 H new ATOM 57 N THR A 5 10.679 8.030 -3.174 1.00 0.00 N ATOM 58 CA THR A 5 11.794 7.129 -2.920 1.00 0.00 C ATOM 59 C THR A 5 11.894 6.794 -1.445 1.00 0.00 C ATOM 60 O THR A 5 11.538 7.597 -0.582 1.00 0.00 O ATOM 61 CB THR A 5 13.099 7.759 -3.400 1.00 0.00 C ATOM 62 OG1 THR A 5 12.926 8.365 -4.669 1.00 0.00 O ATOM 63 CG2 THR A 5 14.235 6.770 -3.515 1.00 0.00 C ATOM 0 H THR A 5 10.512 8.711 -2.433 1.00 0.00 H new ATOM 0 HA THR A 5 11.617 6.206 -3.472 1.00 0.00 H new ATOM 0 HB THR A 5 13.359 8.497 -2.641 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.773 8.764 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.132 7.284 -3.861 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.427 6.322 -2.540 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.967 5.989 -4.227 1.00 0.00 H new ATOM 71 N VAL A 6 12.373 5.593 -1.167 1.00 0.00 N ATOM 72 CA VAL A 6 12.517 5.127 0.198 1.00 0.00 C ATOM 73 C VAL A 6 13.811 4.335 0.365 1.00 0.00 C ATOM 74 O VAL A 6 14.212 3.585 -0.528 1.00 0.00 O ATOM 75 CB VAL A 6 11.321 4.244 0.595 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.613 2.813 0.263 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.966 4.407 2.069 1.00 0.00 C ATOM 0 H VAL A 6 12.670 4.921 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 6 12.550 6.001 0.849 1.00 0.00 H new ATOM 0 HB VAL A 6 10.452 4.567 0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.763 2.193 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.791 2.717 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.498 2.486 0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.117 3.768 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.821 4.123 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.706 5.447 2.268 1.00 0.00 H new ATOM 87 N TRP A 7 14.452 4.496 1.515 1.00 0.00 N ATOM 88 CA TRP A 7 15.692 3.792 1.800 1.00 0.00 C ATOM 89 C TRP A 7 15.480 2.748 2.887 1.00 0.00 C ATOM 90 O TRP A 7 14.921 3.044 3.943 1.00 0.00 O ATOM 91 CB TRP A 7 16.772 4.787 2.218 1.00 0.00 C ATOM 92 CG TRP A 7 17.069 5.796 1.154 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.401 6.965 0.921 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.100 5.717 0.168 1.00 0.00 C ATOM 95 NE1 TRP A 7 16.958 7.618 -0.153 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.004 6.872 -0.631 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.098 4.781 -0.115 1.00 0.00 C ATOM 98 CZ2 TRP A 7 18.869 7.115 -1.694 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.956 5.023 -1.172 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.837 6.181 -1.950 1.00 0.00 C ATOM 0 H TRP A 7 14.132 5.109 2.265 1.00 0.00 H new ATOM 0 HA TRP A 7 16.017 3.278 0.895 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.454 5.303 3.124 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.685 4.244 2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.560 7.323 1.496 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.644 8.511 -0.532 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.197 3.886 0.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 18.780 8.008 -2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.731 4.307 -1.401 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.523 6.341 -2.769 1.00 0.00 H new ATOM 111 N GLY A 8 15.924 1.523 2.622 1.00 0.00 N ATOM 112 CA GLY A 8 15.759 0.458 3.604 1.00 0.00 C ATOM 113 C GLY A 8 16.850 -0.592 3.527 1.00 0.00 C ATOM 114 O GLY A 8 17.753 -0.494 2.698 1.00 0.00 O ATOM 0 H GLY A 8 16.390 1.247 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.749 0.892 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.791 -0.020 3.454 1.00 0.00 H new ATOM 118 N ALA A 9 16.768 -1.602 4.393 1.00 0.00 N ATOM 119 CA ALA A 9 17.758 -2.671 4.413 1.00 0.00 C ATOM 120 C ALA A 9 17.088 -4.034 4.348 1.00 0.00 C ATOM 121 O ALA A 9 16.112 -4.294 5.052 1.00 0.00 O ATOM 122 CB ALA A 9 18.629 -2.572 5.653 1.00 0.00 C ATOM 0 H ALA A 9 16.027 -1.700 5.087 1.00 0.00 H new ATOM 0 HA ALA A 9 18.391 -2.558 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.361 -3.379 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.146 -1.613 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.005 -2.653 6.543 1.00 0.00 H new ATOM 128 N LEU A 10 17.618 -4.907 3.502 1.00 0.00 N ATOM 129 CA LEU A 10 17.065 -6.249 3.348 1.00 0.00 C ATOM 130 C LEU A 10 17.013 -6.972 4.688 1.00 0.00 C ATOM 131 O LEU A 10 17.979 -6.961 5.450 1.00 0.00 O ATOM 132 CB LEU A 10 17.891 -7.054 2.345 1.00 0.00 C ATOM 133 CG LEU A 10 17.077 -7.897 1.361 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.511 -7.026 0.251 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.937 -9.006 0.784 1.00 0.00 C ATOM 0 H LEU A 10 18.428 -4.713 2.913 1.00 0.00 H new ATOM 0 HA LEU A 10 16.047 -6.155 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.517 -6.365 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.561 -7.713 2.896 1.00 0.00 H new ATOM 0 HG LEU A 10 16.243 -8.348 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 15.935 -7.644 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 10 15.863 -6.263 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.328 -6.546 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.346 -9.599 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.789 -8.571 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.295 -9.646 1.591 1.00 0.00 H new ATOM 147 N GLY A 11 15.874 -7.591 4.970 1.00 0.00 N ATOM 148 CA GLY A 11 15.710 -8.301 6.220 1.00 0.00 C ATOM 149 C GLY A 11 15.194 -7.407 7.331 1.00 0.00 C ATOM 150 O GLY A 11 14.901 -7.882 8.428 1.00 0.00 O ATOM 0 H GLY A 11 15.061 -7.613 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.019 -9.131 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.666 -8.731 6.518 1.00 0.00 H new ATOM 154 N HIS A 12 15.080 -6.108 7.052 1.00 0.00 N ATOM 155 CA HIS A 12 14.596 -5.160 8.039 1.00 0.00 C ATOM 156 C HIS A 12 13.214 -4.647 7.632 1.00 0.00 C ATOM 157 O HIS A 12 12.759 -4.890 6.513 1.00 0.00 O ATOM 158 CB HIS A 12 15.619 -4.021 8.183 1.00 0.00 C ATOM 159 CG HIS A 12 15.037 -2.665 8.409 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.692 -1.833 7.374 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.769 -1.985 9.548 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.239 -0.690 7.863 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.274 -0.758 9.181 1.00 0.00 N ATOM 0 H HIS A 12 15.317 -5.695 6.150 1.00 0.00 H new ATOM 0 HA HIS A 12 14.488 -5.642 9.011 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.285 -4.256 9.014 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.232 -3.990 7.282 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.917 -2.341 10.557 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.899 0.155 7.283 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.981 -0.020 9.822 1.00 0.00 H new ATOM 172 N GLY A 13 12.543 -3.953 8.546 1.00 0.00 N ATOM 173 CA GLY A 13 11.214 -3.436 8.254 1.00 0.00 C ATOM 174 C GLY A 13 11.245 -2.270 7.287 1.00 0.00 C ATOM 175 O GLY A 13 12.279 -1.986 6.691 1.00 0.00 O ATOM 0 H GLY A 13 12.892 -3.739 9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.601 -4.234 7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.738 -3.121 9.183 1.00 0.00 H new ATOM 179 N ILE A 14 10.103 -1.598 7.134 1.00 0.00 N ATOM 180 CA ILE A 14 9.978 -0.446 6.238 1.00 0.00 C ATOM 181 C ILE A 14 8.512 -0.195 5.898 1.00 0.00 C ATOM 182 O ILE A 14 7.756 -1.132 5.627 1.00 0.00 O ATOM 183 CB ILE A 14 10.784 -0.631 4.929 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.707 0.624 4.058 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.292 -1.846 4.163 1.00 0.00 C ATOM 186 CD1 ILE A 14 11.956 1.475 4.128 1.00 0.00 C ATOM 0 H ILE A 14 9.241 -1.835 7.625 1.00 0.00 H new ATOM 0 HA ILE A 14 10.389 0.413 6.767 1.00 0.00 H new ATOM 0 HB ILE A 14 11.828 -0.794 5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.533 0.330 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.850 1.222 4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.872 -1.958 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.411 -2.737 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.239 -1.716 3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.837 2.349 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.119 1.798 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.813 0.892 3.790 1.00 0.00 H new ATOM 198 N ASP A 15 8.107 1.071 5.926 1.00 0.00 N ATOM 199 CA ASP A 15 6.726 1.433 5.631 1.00 0.00 C ATOM 200 C ASP A 15 6.641 2.348 4.413 1.00 0.00 C ATOM 201 O ASP A 15 7.338 3.359 4.331 1.00 0.00 O ATOM 202 CB ASP A 15 6.087 2.116 6.840 1.00 0.00 C ATOM 203 CG ASP A 15 4.621 2.429 6.620 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.319 3.525 6.103 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.774 1.578 6.964 1.00 0.00 O ATOM 0 H ASP A 15 8.713 1.860 6.149 1.00 0.00 H new ATOM 0 HA ASP A 15 6.182 0.516 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.191 1.473 7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.624 3.039 7.058 1.00 0.00 H new ATOM 210 N LEU A 16 5.767 1.991 3.477 1.00 0.00 N ATOM 211 CA LEU A 16 5.570 2.782 2.265 1.00 0.00 C ATOM 212 C LEU A 16 4.498 3.840 2.508 1.00 0.00 C ATOM 213 O LEU A 16 3.311 3.523 2.593 1.00 0.00 O ATOM 214 CB LEU A 16 5.155 1.868 1.098 1.00 0.00 C ATOM 215 CG LEU A 16 6.201 1.603 -0.008 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.576 2.168 0.331 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.306 0.110 -0.282 1.00 0.00 C ATOM 0 H LEU A 16 5.182 1.157 3.534 1.00 0.00 H new ATOM 0 HA LEU A 16 6.507 3.276 2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.855 0.906 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.272 2.302 0.629 1.00 0.00 H new ATOM 0 HG LEU A 16 5.854 2.121 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.269 1.951 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.502 3.247 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.941 1.710 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.046 -0.065 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.610 -0.407 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.337 -0.269 -0.608 1.00 0.00 H new ATOM 229 N ASP A 17 4.920 5.094 2.634 1.00 0.00 N ATOM 230 CA ASP A 17 3.987 6.187 2.885 1.00 0.00 C ATOM 231 C ASP A 17 3.451 6.785 1.589 1.00 0.00 C ATOM 232 O ASP A 17 4.212 7.229 0.730 1.00 0.00 O ATOM 233 CB ASP A 17 4.655 7.277 3.722 1.00 0.00 C ATOM 234 CG ASP A 17 4.953 6.819 5.136 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.165 6.017 5.680 1.00 0.00 O ATOM 236 OD2 ASP A 17 5.978 7.262 5.699 1.00 0.00 O ATOM 0 H ASP A 17 5.897 5.378 2.567 1.00 0.00 H new ATOM 0 HA ASP A 17 3.143 5.772 3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.583 7.584 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.008 8.153 3.756 1.00 0.00 H new ATOM 241 N ILE A 18 2.129 6.795 1.469 1.00 0.00 N ATOM 242 CA ILE A 18 1.456 7.338 0.298 1.00 0.00 C ATOM 243 C ILE A 18 1.375 8.864 0.362 1.00 0.00 C ATOM 244 O ILE A 18 0.786 9.418 1.291 1.00 0.00 O ATOM 245 CB ILE A 18 0.028 6.773 0.190 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.069 5.245 0.153 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.685 7.322 -1.040 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.152 4.633 -0.488 1.00 0.00 C ATOM 0 H ILE A 18 1.496 6.428 2.179 1.00 0.00 H new ATOM 0 HA ILE A 18 2.039 7.048 -0.576 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.534 7.087 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.957 4.925 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.166 4.866 1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.692 6.907 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.743 8.408 -0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.131 7.044 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.060 3.547 -0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.041 4.925 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.238 4.985 -1.516 1.00 0.00 H new ATOM 260 N PRO A 19 1.965 9.568 -0.620 1.00 0.00 N ATOM 261 CA PRO A 19 1.948 11.036 -0.653 1.00 0.00 C ATOM 262 C PRO A 19 0.534 11.612 -0.708 1.00 0.00 C ATOM 263 O PRO A 19 -0.289 11.203 -1.529 1.00 0.00 O ATOM 264 CB PRO A 19 2.715 11.380 -1.934 1.00 0.00 C ATOM 265 CG PRO A 19 3.522 10.165 -2.241 1.00 0.00 C ATOM 266 CD PRO A 19 2.701 9.003 -1.767 1.00 0.00 C ATOM 0 HA PRO A 19 2.387 11.459 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.033 11.617 -2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.354 12.251 -1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.727 10.090 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.486 10.196 -1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.026 8.642 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.326 8.160 -1.471 1.00 0.00 H new ATOM 274 N ASN A 20 0.272 12.582 0.164 1.00 0.00 N ATOM 275 CA ASN A 20 -1.028 13.257 0.233 1.00 0.00 C ATOM 276 C ASN A 20 -2.212 12.289 0.125 1.00 0.00 C ATOM 277 O ASN A 20 -2.983 12.347 -0.833 1.00 0.00 O ATOM 278 CB ASN A 20 -1.123 14.313 -0.870 1.00 0.00 C ATOM 279 CG ASN A 20 -1.908 15.534 -0.435 1.00 0.00 C ATOM 280 OD1 ASN A 20 -1.385 16.648 -0.411 1.00 0.00 O ATOM 281 ND2 ASN A 20 -3.174 15.331 -0.087 1.00 0.00 N ATOM 0 H ASN A 20 0.952 12.924 0.843 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.089 13.727 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.119 14.617 -1.166 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.596 13.875 -1.749 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.752 16.115 0.215 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.568 14.391 -0.122 1.00 0.00 H new ATOM 288 N PHE A 21 -2.366 11.414 1.116 1.00 0.00 N ATOM 289 CA PHE A 21 -3.461 10.459 1.132 1.00 0.00 C ATOM 290 C PHE A 21 -3.981 10.262 2.555 1.00 0.00 C ATOM 291 O PHE A 21 -3.227 10.372 3.522 1.00 0.00 O ATOM 292 CB PHE A 21 -2.992 9.134 0.540 1.00 0.00 C ATOM 293 CG PHE A 21 -3.791 7.943 0.973 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.107 7.797 0.583 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.221 6.977 1.779 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.846 6.701 0.994 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.950 5.879 2.192 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.265 5.741 1.798 1.00 0.00 C ATOM 0 H PHE A 21 -1.741 11.350 1.920 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.281 10.846 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.027 9.204 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.949 8.976 0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.564 8.544 -0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.192 7.082 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.876 6.597 0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.492 5.131 2.822 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.839 4.884 2.118 1.00 0.00 H new ATOM 308 N GLN A 22 -5.272 9.970 2.674 1.00 0.00 N ATOM 309 CA GLN A 22 -5.889 9.758 3.978 1.00 0.00 C ATOM 310 C GLN A 22 -6.870 8.590 3.934 1.00 0.00 C ATOM 311 O GLN A 22 -7.866 8.631 3.211 1.00 0.00 O ATOM 312 CB GLN A 22 -6.611 11.028 4.436 1.00 0.00 C ATOM 313 CG GLN A 22 -5.724 11.983 5.218 1.00 0.00 C ATOM 314 CD GLN A 22 -6.439 12.605 6.401 1.00 0.00 C ATOM 315 OE1 GLN A 22 -7.666 12.691 6.425 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.671 13.045 7.392 1.00 0.00 N ATOM 0 H GLN A 22 -5.910 9.875 1.884 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.100 9.519 4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.007 11.546 3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.464 10.748 5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.843 11.448 5.571 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.373 12.773 4.554 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.657 12.953 7.331 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.095 13.474 8.214 1.00 0.00 H new ATOM 325 N MET A 23 -6.581 7.552 4.710 1.00 0.00 N ATOM 326 CA MET A 23 -7.437 6.373 4.760 1.00 0.00 C ATOM 327 C MET A 23 -8.641 6.612 5.665 1.00 0.00 C ATOM 328 O MET A 23 -8.650 6.201 6.825 1.00 0.00 O ATOM 329 CB MET A 23 -6.645 5.162 5.255 1.00 0.00 C ATOM 330 CG MET A 23 -7.399 3.848 5.128 1.00 0.00 C ATOM 331 SD MET A 23 -8.144 3.321 6.684 1.00 0.00 S ATOM 332 CE MET A 23 -8.983 1.826 6.167 1.00 0.00 C ATOM 0 H MET A 23 -5.760 7.503 5.313 1.00 0.00 H new ATOM 0 HA MET A 23 -7.798 6.175 3.751 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.714 5.093 4.692 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.375 5.317 6.300 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.179 3.952 4.373 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.716 3.074 4.776 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.493 1.381 7.021 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.713 2.067 5.394 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.255 1.119 5.771 1.00 0.00 H new ATOM 342 N THR A 24 -9.655 7.282 5.128 1.00 0.00 N ATOM 343 CA THR A 24 -10.865 7.578 5.886 1.00 0.00 C ATOM 344 C THR A 24 -12.076 6.885 5.268 1.00 0.00 C ATOM 345 O THR A 24 -11.943 6.104 4.327 1.00 0.00 O ATOM 346 CB THR A 24 -11.098 9.089 5.943 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.465 9.736 4.852 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.583 9.726 7.214 1.00 0.00 C ATOM 0 H THR A 24 -9.663 7.631 4.169 1.00 0.00 H new ATOM 0 HA THR A 24 -10.732 7.200 6.900 1.00 0.00 H new ATOM 0 HB THR A 24 -12.180 9.216 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.627 10.701 4.905 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.780 10.798 7.190 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.088 9.284 8.073 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.509 9.556 7.297 1.00 0.00 H new ATOM 356 N ASP A 25 -13.257 7.177 5.804 1.00 0.00 N ATOM 357 CA ASP A 25 -14.493 6.583 5.305 1.00 0.00 C ATOM 358 C ASP A 25 -14.667 6.855 3.814 1.00 0.00 C ATOM 359 O ASP A 25 -15.253 6.051 3.090 1.00 0.00 O ATOM 360 CB ASP A 25 -15.694 7.130 6.077 1.00 0.00 C ATOM 361 CG ASP A 25 -15.864 6.464 7.429 1.00 0.00 C ATOM 362 OD1 ASP A 25 -15.051 6.744 8.335 1.00 0.00 O ATOM 363 OD2 ASP A 25 -16.810 5.663 7.583 1.00 0.00 O ATOM 0 H ASP A 25 -13.384 7.822 6.584 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.433 5.505 5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.574 8.204 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.599 6.984 5.487 1.00 0.00 H new ATOM 368 N ASP A 26 -14.150 7.994 3.361 1.00 0.00 N ATOM 369 CA ASP A 26 -14.247 8.370 1.955 1.00 0.00 C ATOM 370 C ASP A 26 -13.524 7.362 1.070 1.00 0.00 C ATOM 371 O ASP A 26 -13.878 7.176 -0.095 1.00 0.00 O ATOM 372 CB ASP A 26 -13.663 9.767 1.740 1.00 0.00 C ATOM 373 CG ASP A 26 -14.428 10.559 0.697 1.00 0.00 C ATOM 374 OD1 ASP A 26 -14.895 9.949 -0.287 1.00 0.00 O ATOM 375 OD2 ASP A 26 -14.560 11.789 0.866 1.00 0.00 O ATOM 0 H ASP A 26 -13.661 8.671 3.946 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.301 8.377 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.672 10.311 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.621 9.679 1.433 1.00 0.00 H new ATOM 380 N ILE A 27 -12.508 6.710 1.628 1.00 0.00 N ATOM 381 CA ILE A 27 -11.736 5.723 0.895 1.00 0.00 C ATOM 382 C ILE A 27 -12.380 4.335 1.027 1.00 0.00 C ATOM 383 O ILE A 27 -12.654 3.886 2.140 1.00 0.00 O ATOM 384 CB ILE A 27 -10.290 5.677 1.425 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.635 7.058 1.301 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.474 4.632 0.680 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.741 7.660 -0.085 1.00 0.00 C ATOM 0 H ILE A 27 -12.202 6.852 2.591 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.722 6.008 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.319 5.397 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.098 7.736 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.583 6.977 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.457 4.618 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.929 3.651 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.451 4.878 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.256 8.636 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.252 7.004 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.791 7.774 -0.353 1.00 0.00 H new ATOM 399 N ASP A 28 -12.641 3.661 -0.098 1.00 0.00 N ATOM 400 CA ASP A 28 -13.269 2.348 -0.062 1.00 0.00 C ATOM 401 C ASP A 28 -12.328 1.245 -0.539 1.00 0.00 C ATOM 402 O ASP A 28 -12.297 0.163 0.049 1.00 0.00 O ATOM 403 CB ASP A 28 -14.537 2.350 -0.916 1.00 0.00 C ATOM 404 CG ASP A 28 -15.754 1.875 -0.145 1.00 0.00 C ATOM 405 OD1 ASP A 28 -15.793 2.080 1.086 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.668 1.300 -0.773 1.00 0.00 O ATOM 0 H ASP A 28 -12.427 4.004 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.522 2.139 0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.718 3.358 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.388 1.709 -1.785 1.00 0.00 H new ATOM 411 N GLU A 29 -11.576 1.495 -1.613 1.00 0.00 N ATOM 412 CA GLU A 29 -10.676 0.467 -2.133 1.00 0.00 C ATOM 413 C GLU A 29 -9.226 0.951 -2.218 1.00 0.00 C ATOM 414 O GLU A 29 -8.907 1.858 -2.987 1.00 0.00 O ATOM 415 CB GLU A 29 -11.155 0.000 -3.511 1.00 0.00 C ATOM 416 CG GLU A 29 -10.402 -1.206 -4.047 1.00 0.00 C ATOM 417 CD GLU A 29 -10.982 -1.723 -5.349 1.00 0.00 C ATOM 418 OE1 GLU A 29 -12.224 -1.814 -5.450 1.00 0.00 O ATOM 419 OE2 GLU A 29 -10.195 -2.036 -6.267 1.00 0.00 O ATOM 0 H GLU A 29 -11.571 2.376 -2.127 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.698 -0.368 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.216 -0.242 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.054 0.823 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.356 -0.939 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.422 -2.002 -3.303 1.00 0.00 H new ATOM 426 N VAL A 30 -8.347 0.317 -1.436 1.00 0.00 N ATOM 427 CA VAL A 30 -6.925 0.657 -1.436 1.00 0.00 C ATOM 428 C VAL A 30 -6.116 -0.499 -2.020 1.00 0.00 C ATOM 429 O VAL A 30 -6.057 -1.580 -1.432 1.00 0.00 O ATOM 430 CB VAL A 30 -6.397 0.972 -0.018 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.090 1.747 -0.096 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.435 1.744 0.785 1.00 0.00 C ATOM 0 H VAL A 30 -8.598 -0.435 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.810 1.553 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.206 0.029 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.733 1.960 0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.346 1.153 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.254 2.684 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.042 1.955 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.663 2.682 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.344 1.149 0.873 1.00 0.00 H new ATOM 442 N ARG A 31 -5.514 -0.281 -3.186 1.00 0.00 N ATOM 443 CA ARG A 31 -4.738 -1.331 -3.844 1.00 0.00 C ATOM 444 C ARG A 31 -3.242 -1.024 -3.849 1.00 0.00 C ATOM 445 O ARG A 31 -2.819 0.059 -4.247 1.00 0.00 O ATOM 446 CB ARG A 31 -5.223 -1.539 -5.284 1.00 0.00 C ATOM 447 CG ARG A 31 -6.669 -1.126 -5.516 1.00 0.00 C ATOM 448 CD ARG A 31 -7.212 -1.704 -6.812 1.00 0.00 C ATOM 449 NE ARG A 31 -7.686 -3.076 -6.644 1.00 0.00 N ATOM 450 CZ ARG A 31 -7.987 -3.885 -7.657 1.00 0.00 C ATOM 451 NH1 ARG A 31 -7.867 -3.465 -8.911 1.00 0.00 N ATOM 452 NH2 ARG A 31 -8.410 -5.118 -7.417 1.00 0.00 N ATOM 0 H ARG A 31 -5.547 0.604 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.893 -2.245 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.581 -0.972 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.110 -2.591 -5.546 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.283 -1.463 -4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.738 -0.039 -5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.029 -1.080 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.433 -1.680 -7.574 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.792 -3.435 -5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.542 -2.517 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.099 -4.090 -9.683 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.505 -5.447 -6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.641 -5.738 -8.193 1.00 0.00 H new ATOM 466 N TRP A 32 -2.454 -2.011 -3.432 1.00 0.00 N ATOM 467 CA TRP A 32 -1.001 -1.893 -3.408 1.00 0.00 C ATOM 468 C TRP A 32 -0.411 -2.835 -4.451 1.00 0.00 C ATOM 469 O TRP A 32 -0.044 -3.967 -4.139 1.00 0.00 O ATOM 470 CB TRP A 32 -0.452 -2.241 -2.021 1.00 0.00 C ATOM 471 CG TRP A 32 -0.593 -1.139 -1.012 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.655 -0.909 -0.183 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.371 -0.123 -0.719 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.408 0.190 0.607 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.170 0.692 0.293 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.641 0.177 -1.217 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.517 1.787 0.815 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.321 1.263 -0.700 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.758 2.056 0.307 1.00 0.00 C ATOM 0 H TRP A 32 -2.804 -2.911 -3.103 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.722 -0.864 -3.635 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.967 -3.127 -1.650 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.602 -2.501 -2.114 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.556 -1.503 -0.153 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.041 0.569 1.311 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.084 -0.430 -1.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.085 2.400 1.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.303 1.504 -1.079 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.315 2.898 0.691 1.00 0.00 H new ATOM 490 N GLU A 33 -0.353 -2.374 -5.696 1.00 0.00 N ATOM 491 CA GLU A 33 0.157 -3.200 -6.784 1.00 0.00 C ATOM 492 C GLU A 33 1.596 -2.853 -7.148 1.00 0.00 C ATOM 493 O GLU A 33 2.052 -1.727 -6.952 1.00 0.00 O ATOM 494 CB GLU A 33 -0.734 -3.057 -8.018 1.00 0.00 C ATOM 495 CG GLU A 33 -2.189 -3.413 -7.762 1.00 0.00 C ATOM 496 CD GLU A 33 -3.133 -2.764 -8.754 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.738 -1.755 -9.375 1.00 0.00 O ATOM 498 OE2 GLU A 33 -4.267 -3.264 -8.911 1.00 0.00 O ATOM 0 H GLU A 33 -0.651 -1.439 -5.975 1.00 0.00 H new ATOM 0 HA GLU A 33 0.144 -4.233 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.678 -2.030 -8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.347 -3.696 -8.812 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.308 -4.496 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.462 -3.106 -6.752 1.00 0.00 H new ATOM 505 N ARG A 34 2.294 -3.842 -7.694 1.00 0.00 N ATOM 506 CA ARG A 34 3.677 -3.680 -8.117 1.00 0.00 C ATOM 507 C ARG A 34 3.927 -4.498 -9.378 1.00 0.00 C ATOM 508 O ARG A 34 3.817 -5.726 -9.362 1.00 0.00 O ATOM 509 CB ARG A 34 4.632 -4.119 -7.005 1.00 0.00 C ATOM 510 CG ARG A 34 6.088 -3.780 -7.284 1.00 0.00 C ATOM 511 CD ARG A 34 6.865 -4.999 -7.756 1.00 0.00 C ATOM 512 NE ARG A 34 7.019 -5.023 -9.207 1.00 0.00 N ATOM 513 CZ ARG A 34 7.920 -5.766 -9.846 1.00 0.00 C ATOM 514 NH1 ARG A 34 8.749 -6.547 -9.165 1.00 0.00 N ATOM 515 NH2 ARG A 34 7.992 -5.728 -11.170 1.00 0.00 N ATOM 0 H ARG A 34 1.917 -4.776 -7.855 1.00 0.00 H new ATOM 0 HA ARG A 34 3.860 -2.627 -8.331 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.330 -3.646 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.539 -5.196 -6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.142 -2.998 -8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.549 -3.381 -6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.849 -5.005 -7.287 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.351 -5.904 -7.431 1.00 0.00 H new ATOM 0 HE ARG A 34 6.399 -4.435 -9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.698 -6.580 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.437 -7.114 -9.660 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.357 -5.130 -11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.682 -6.297 -11.660 1.00 0.00 H new ATOM 529 N GLY A 35 4.241 -3.817 -10.475 1.00 0.00 N ATOM 530 CA GLY A 35 4.475 -4.514 -11.724 1.00 0.00 C ATOM 531 C GLY A 35 3.275 -5.333 -12.146 1.00 0.00 C ATOM 532 O GLY A 35 2.194 -4.792 -12.383 1.00 0.00 O ATOM 0 H GLY A 35 4.337 -2.803 -10.521 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.714 -3.791 -12.504 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.341 -5.167 -11.619 1.00 0.00 H new ATOM 536 N SER A 36 3.463 -6.640 -12.229 1.00 0.00 N ATOM 537 CA SER A 36 2.388 -7.547 -12.612 1.00 0.00 C ATOM 538 C SER A 36 2.031 -8.481 -11.457 1.00 0.00 C ATOM 539 O SER A 36 1.830 -9.679 -11.654 1.00 0.00 O ATOM 540 CB SER A 36 2.797 -8.365 -13.839 1.00 0.00 C ATOM 541 OG SER A 36 1.696 -8.563 -14.710 1.00 0.00 O ATOM 0 H SER A 36 4.353 -7.100 -12.036 1.00 0.00 H new ATOM 0 HA SER A 36 1.510 -6.951 -12.859 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.598 -7.852 -14.371 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.192 -9.330 -13.522 1.00 0.00 H new ATOM 0 HG SER A 36 1.983 -9.087 -15.487 1.00 0.00 H new ATOM 547 N THR A 37 1.963 -7.925 -10.248 1.00 0.00 N ATOM 548 CA THR A 37 1.640 -8.714 -9.063 1.00 0.00 C ATOM 549 C THR A 37 0.944 -7.860 -8.005 1.00 0.00 C ATOM 550 O THR A 37 1.052 -6.635 -8.014 1.00 0.00 O ATOM 551 CB THR A 37 2.921 -9.322 -8.483 1.00 0.00 C ATOM 552 OG1 THR A 37 3.542 -10.174 -9.427 1.00 0.00 O ATOM 553 CG2 THR A 37 2.695 -10.125 -7.219 1.00 0.00 C ATOM 0 H THR A 37 2.127 -6.935 -10.065 1.00 0.00 H new ATOM 0 HA THR A 37 0.957 -9.511 -9.357 1.00 0.00 H new ATOM 0 HB THR A 37 3.555 -8.469 -8.238 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.359 -10.552 -9.039 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.646 -10.524 -6.867 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.265 -9.482 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.011 -10.948 -7.428 1.00 0.00 H new ATOM 561 N LEU A 38 0.249 -8.520 -7.080 1.00 0.00 N ATOM 562 CA LEU A 38 -0.442 -7.818 -5.999 1.00 0.00 C ATOM 563 C LEU A 38 0.331 -7.989 -4.701 1.00 0.00 C ATOM 564 O LEU A 38 0.932 -9.035 -4.460 1.00 0.00 O ATOM 565 CB LEU A 38 -1.869 -8.347 -5.798 1.00 0.00 C ATOM 566 CG LEU A 38 -2.995 -7.509 -6.413 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.326 -8.221 -6.223 1.00 0.00 C ATOM 568 CD2 LEU A 38 -3.035 -6.124 -5.785 1.00 0.00 C ATOM 0 H LEU A 38 0.149 -9.535 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.500 -6.765 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.923 -9.352 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.054 -8.436 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.806 -7.390 -7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.125 -7.623 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.291 -9.194 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.517 -8.357 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.841 -5.544 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.208 -6.216 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.085 -5.619 -5.957 1.00 0.00 H new ATOM 580 N VAL A 39 0.303 -6.967 -3.863 1.00 0.00 N ATOM 581 CA VAL A 39 0.989 -7.018 -2.588 1.00 0.00 C ATOM 582 C VAL A 39 -0.014 -6.908 -1.445 1.00 0.00 C ATOM 583 O VAL A 39 0.070 -7.636 -0.456 1.00 0.00 O ATOM 584 CB VAL A 39 2.044 -5.896 -2.481 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.567 -5.781 -1.060 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.187 -6.151 -3.459 1.00 0.00 C ATOM 0 H VAL A 39 -0.189 -6.092 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 39 1.504 -7.976 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 39 1.570 -4.950 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.309 -4.984 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.742 -5.552 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.026 -6.724 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.924 -5.353 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.658 -7.106 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.796 -6.177 -4.476 1.00 0.00 H new ATOM 596 N ALA A 40 -0.969 -6.000 -1.601 1.00 0.00 N ATOM 597 CA ALA A 40 -2.001 -5.797 -0.591 1.00 0.00 C ATOM 598 C ALA A 40 -3.161 -4.971 -1.135 1.00 0.00 C ATOM 599 O ALA A 40 -3.017 -3.782 -1.417 1.00 0.00 O ATOM 600 CB ALA A 40 -1.412 -5.132 0.643 1.00 0.00 C ATOM 0 H ALA A 40 -1.051 -5.393 -2.416 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.391 -6.776 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.195 -4.987 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.629 -5.766 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.989 -4.165 0.369 1.00 0.00 H new ATOM 606 N GLU A 41 -4.315 -5.612 -1.280 1.00 0.00 N ATOM 607 CA GLU A 41 -5.507 -4.942 -1.789 1.00 0.00 C ATOM 608 C GLU A 41 -6.648 -5.001 -0.777 1.00 0.00 C ATOM 609 O GLU A 41 -7.135 -6.079 -0.435 1.00 0.00 O ATOM 610 CB GLU A 41 -5.946 -5.570 -3.112 1.00 0.00 C ATOM 611 CG GLU A 41 -5.908 -4.601 -4.281 1.00 0.00 C ATOM 612 CD GLU A 41 -6.154 -5.282 -5.613 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.910 -6.275 -5.641 1.00 0.00 O ATOM 614 OE2 GLU A 41 -5.590 -4.822 -6.628 1.00 0.00 O ATOM 0 H GLU A 41 -4.451 -6.597 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.256 -3.895 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.301 -6.421 -3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.959 -5.957 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.659 -3.826 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.938 -4.105 -4.305 1.00 0.00 H new ATOM 621 N PHE A 42 -7.069 -3.833 -0.306 1.00 0.00 N ATOM 622 CA PHE A 42 -8.152 -3.739 0.663 1.00 0.00 C ATOM 623 C PHE A 42 -9.438 -3.267 -0.011 1.00 0.00 C ATOM 624 O PHE A 42 -9.402 -2.485 -0.961 1.00 0.00 O ATOM 625 CB PHE A 42 -7.766 -2.780 1.792 1.00 0.00 C ATOM 626 CG PHE A 42 -8.896 -2.458 2.730 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.813 -1.470 2.411 1.00 0.00 C ATOM 628 CD2 PHE A 42 -9.042 -3.144 3.924 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.856 -1.172 3.266 1.00 0.00 C ATOM 630 CE2 PHE A 42 -10.083 -2.849 4.785 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.991 -1.862 4.456 1.00 0.00 C ATOM 0 H PHE A 42 -6.674 -2.934 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.327 -4.730 1.083 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.946 -3.217 2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.393 -1.853 1.357 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.711 -0.927 1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.335 -3.918 4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.565 -0.401 3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.186 -3.390 5.714 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.805 -1.630 5.127 1.00 0.00 H new ATOM 641 N LYS A 43 -10.572 -3.745 0.489 1.00 0.00 N ATOM 642 CA LYS A 43 -11.870 -3.372 -0.063 1.00 0.00 C ATOM 643 C LYS A 43 -12.931 -3.323 1.032 1.00 0.00 C ATOM 644 O LYS A 43 -13.001 -4.209 1.883 1.00 0.00 O ATOM 645 CB LYS A 43 -12.285 -4.360 -1.156 1.00 0.00 C ATOM 646 CG LYS A 43 -12.391 -3.729 -2.536 1.00 0.00 C ATOM 647 CD LYS A 43 -13.804 -3.824 -3.089 1.00 0.00 C ATOM 648 CE LYS A 43 -14.802 -3.102 -2.196 1.00 0.00 C ATOM 649 NZ LYS A 43 -16.148 -3.014 -2.825 1.00 0.00 N ATOM 0 H LYS A 43 -10.619 -4.392 1.276 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.782 -2.377 -0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.561 -5.174 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.247 -4.800 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.091 -2.683 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.699 -4.225 -3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.833 -3.395 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.090 -4.872 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.880 -3.625 -1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.436 -2.098 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.798 -2.515 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.078 -2.493 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.509 -3.972 -3.008 1.00 0.00 H new ATOM 663 N ARG A 44 -13.757 -2.280 1.004 1.00 0.00 N ATOM 664 CA ARG A 44 -14.815 -2.111 1.993 1.00 0.00 C ATOM 665 C ARG A 44 -15.671 -3.370 2.108 1.00 0.00 C ATOM 666 O ARG A 44 -15.393 -4.253 2.919 1.00 0.00 O ATOM 667 CB ARG A 44 -15.649 -0.862 1.655 1.00 0.00 C ATOM 668 CG ARG A 44 -16.969 -0.754 2.411 1.00 0.00 C ATOM 669 CD ARG A 44 -16.794 -0.017 3.729 1.00 0.00 C ATOM 670 NE ARG A 44 -16.279 1.336 3.538 1.00 0.00 N ATOM 671 CZ ARG A 44 -16.370 2.300 4.452 1.00 0.00 C ATOM 672 NH1 ARG A 44 -16.953 2.063 5.621 1.00 0.00 N ATOM 673 NH2 ARG A 44 -15.874 3.503 4.197 1.00 0.00 N ATOM 0 H ARG A 44 -13.713 -1.538 0.305 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.366 -1.957 2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.052 0.025 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.857 -0.859 0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.701 -0.232 1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -17.365 -1.752 2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -17.752 0.030 4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.112 -0.577 4.369 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.823 1.556 2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.334 1.139 5.823 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.020 2.805 6.317 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.423 3.689 3.301 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.943 4.242 4.897 1.00 0.00 H new ATOM 687 N LYS A 45 -16.698 -3.441 1.299 1.00 0.00 N ATOM 688 CA LYS A 45 -17.607 -4.582 1.294 1.00 0.00 C ATOM 689 C LYS A 45 -17.043 -5.727 0.458 1.00 0.00 C ATOM 690 O LYS A 45 -17.735 -6.296 -0.386 1.00 0.00 O ATOM 691 CB LYS A 45 -18.976 -4.166 0.754 1.00 0.00 C ATOM 692 CG LYS A 45 -19.794 -3.345 1.739 1.00 0.00 C ATOM 693 CD LYS A 45 -20.200 -4.170 2.949 1.00 0.00 C ATOM 694 CE LYS A 45 -21.041 -3.357 3.920 1.00 0.00 C ATOM 695 NZ LYS A 45 -20.225 -2.815 5.041 1.00 0.00 N ATOM 0 H LYS A 45 -16.936 -2.716 0.623 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.719 -4.930 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.837 -3.589 -0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.538 -5.060 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.214 -2.481 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.686 -2.962 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.763 -5.045 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.308 -4.536 3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.518 -2.534 3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.839 -3.982 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.835 -2.267 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -19.790 -3.601 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.479 -2.198 4.661 1.00 0.00 H new ATOM 709 N MET A 46 -15.780 -6.062 0.700 1.00 0.00 N ATOM 710 CA MET A 46 -15.121 -7.141 -0.027 1.00 0.00 C ATOM 711 C MET A 46 -13.864 -7.603 0.703 1.00 0.00 C ATOM 712 O MET A 46 -13.181 -6.807 1.348 1.00 0.00 O ATOM 713 CB MET A 46 -14.768 -6.684 -1.446 1.00 0.00 C ATOM 714 CG MET A 46 -15.584 -7.374 -2.526 1.00 0.00 C ATOM 715 SD MET A 46 -14.830 -7.240 -4.159 1.00 0.00 S ATOM 716 CE MET A 46 -16.017 -8.136 -5.155 1.00 0.00 C ATOM 0 H MET A 46 -15.192 -5.601 1.395 1.00 0.00 H new ATOM 0 HA MET A 46 -15.811 -7.983 -0.085 1.00 0.00 H new ATOM 0 HB2 MET A 46 -14.919 -5.607 -1.520 1.00 0.00 H new ATOM 0 HB3 MET A 46 -13.709 -6.871 -1.627 1.00 0.00 H new ATOM 0 HG2 MET A 46 -15.702 -8.427 -2.270 1.00 0.00 H new ATOM 0 HG3 MET A 46 -16.583 -6.939 -2.555 1.00 0.00 H new ATOM 0 HE1 MET A 46 -15.689 -8.141 -6.195 1.00 0.00 H new ATOM 0 HE2 MET A 46 -16.095 -9.162 -4.794 1.00 0.00 H new ATOM 0 HE3 MET A 46 -16.991 -7.652 -5.084 1.00 0.00 H new ATOM 726 N LYS A 47 -13.567 -8.895 0.601 1.00 0.00 N ATOM 727 CA LYS A 47 -12.393 -9.463 1.253 1.00 0.00 C ATOM 728 C LYS A 47 -11.108 -8.936 0.618 1.00 0.00 C ATOM 729 O LYS A 47 -11.010 -8.832 -0.604 1.00 0.00 O ATOM 730 CB LYS A 47 -12.427 -10.990 1.171 1.00 0.00 C ATOM 731 CG LYS A 47 -13.400 -11.631 2.147 1.00 0.00 C ATOM 732 CD LYS A 47 -12.775 -11.803 3.523 1.00 0.00 C ATOM 733 CE LYS A 47 -13.834 -12.020 4.591 1.00 0.00 C ATOM 734 NZ LYS A 47 -14.631 -13.254 4.342 1.00 0.00 N ATOM 0 H LYS A 47 -14.123 -9.568 0.073 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.409 -9.162 2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.696 -11.285 0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.426 -11.378 1.361 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.296 -11.015 2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.714 -12.602 1.765 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.091 -12.651 3.510 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.184 -10.921 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.355 -12.088 5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.500 -11.158 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.284 -13.411 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.175 -13.144 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.991 -14.069 4.254 1.00 0.00 H new ATOM 748 N PRO A 48 -10.100 -8.592 1.442 1.00 0.00 N ATOM 749 CA PRO A 48 -8.824 -8.072 0.951 1.00 0.00 C ATOM 750 C PRO A 48 -7.899 -9.175 0.443 1.00 0.00 C ATOM 751 O PRO A 48 -8.221 -10.360 0.531 1.00 0.00 O ATOM 752 CB PRO A 48 -8.228 -7.405 2.188 1.00 0.00 C ATOM 753 CG PRO A 48 -8.761 -8.198 3.332 1.00 0.00 C ATOM 754 CD PRO A 48 -10.129 -8.678 2.916 1.00 0.00 C ATOM 0 HA PRO A 48 -8.954 -7.402 0.101 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.138 -7.426 2.164 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.526 -6.359 2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.107 -9.040 3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.821 -7.588 4.233 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.315 -9.698 3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.917 -8.054 3.338 1.00 0.00 H new ATOM 762 N PHE A 49 -6.749 -8.773 -0.090 1.00 0.00 N ATOM 763 CA PHE A 49 -5.772 -9.721 -0.613 1.00 0.00 C ATOM 764 C PHE A 49 -4.374 -9.419 -0.086 1.00 0.00 C ATOM 765 O PHE A 49 -3.710 -8.497 -0.558 1.00 0.00 O ATOM 766 CB PHE A 49 -5.759 -9.690 -2.146 1.00 0.00 C ATOM 767 CG PHE A 49 -4.615 -10.462 -2.749 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.721 -11.827 -2.964 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.430 -9.824 -3.090 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.668 -12.540 -3.507 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.377 -10.532 -3.634 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.496 -11.892 -3.843 1.00 0.00 C ATOM 0 H PHE A 49 -6.471 -7.795 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.065 -10.715 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.699 -10.097 -2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.705 -8.654 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.636 -12.339 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.331 -8.761 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.762 -13.604 -3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.461 -10.023 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.674 -12.448 -4.269 1.00 0.00 H new ATOM 782 N LEU A 50 -3.924 -10.212 0.878 1.00 0.00 N ATOM 783 CA LEU A 50 -2.600 -10.038 1.449 1.00 0.00 C ATOM 784 C LEU A 50 -1.615 -11.005 0.794 1.00 0.00 C ATOM 785 O LEU A 50 -1.716 -12.219 0.976 1.00 0.00 O ATOM 786 CB LEU A 50 -2.645 -10.275 2.961 1.00 0.00 C ATOM 787 CG LEU A 50 -2.794 -9.014 3.815 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.716 -9.359 5.294 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.728 -7.993 3.446 1.00 0.00 C ATOM 0 H LEU A 50 -4.459 -10.982 1.279 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.267 -9.017 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.476 -10.945 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.732 -10.790 3.259 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.772 -8.576 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.824 -8.450 5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.516 -10.055 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.752 -9.820 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.848 -7.102 4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.740 -8.421 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.831 -7.723 2.395 1.00 0.00 H new ATOM 801 N LYS A 51 -0.671 -10.467 0.023 1.00 0.00 N ATOM 802 CA LYS A 51 0.321 -11.291 -0.666 1.00 0.00 C ATOM 803 C LYS A 51 0.899 -12.361 0.257 1.00 0.00 C ATOM 804 O LYS A 51 1.070 -13.513 -0.144 1.00 0.00 O ATOM 805 CB LYS A 51 1.448 -10.414 -1.215 1.00 0.00 C ATOM 806 CG LYS A 51 2.534 -11.196 -1.936 1.00 0.00 C ATOM 807 CD LYS A 51 3.525 -10.270 -2.622 1.00 0.00 C ATOM 808 CE LYS A 51 4.416 -11.028 -3.593 1.00 0.00 C ATOM 809 NZ LYS A 51 5.710 -11.419 -2.971 1.00 0.00 N ATOM 0 H LYS A 51 -0.572 -9.465 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.182 -11.793 -1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.024 -9.680 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.898 -9.858 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.061 -11.831 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.079 -11.856 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.985 -9.489 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.141 -9.775 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.896 -11.921 -3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.607 -10.409 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.288 -11.933 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.218 -10.566 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.530 -12.031 -2.150 1.00 0.00 H new ATOM 823 N SER A 52 1.197 -11.977 1.495 1.00 0.00 N ATOM 824 CA SER A 52 1.753 -12.911 2.467 1.00 0.00 C ATOM 825 C SER A 52 1.928 -12.248 3.830 1.00 0.00 C ATOM 826 O SER A 52 1.861 -11.025 3.951 1.00 0.00 O ATOM 827 CB SER A 52 3.097 -13.450 1.975 1.00 0.00 C ATOM 828 OG SER A 52 4.142 -12.528 2.232 1.00 0.00 O ATOM 0 H SER A 52 1.063 -11.029 1.847 1.00 0.00 H new ATOM 0 HA SER A 52 1.052 -13.739 2.576 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.315 -14.398 2.468 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.041 -13.652 0.905 1.00 0.00 H new ATOM 0 HG SER A 52 4.991 -12.897 1.909 1.00 0.00 H new ATOM 834 N GLY A 53 2.146 -13.070 4.853 1.00 0.00 N ATOM 835 CA GLY A 53 2.321 -12.545 6.205 1.00 0.00 C ATOM 836 C GLY A 53 3.447 -11.522 6.310 1.00 0.00 C ATOM 837 O GLY A 53 3.575 -10.851 7.334 1.00 0.00 O ATOM 0 H GLY A 53 2.205 -14.085 4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.389 -12.085 6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.525 -13.372 6.885 1.00 0.00 H new ATOM 841 N ALA A 54 4.275 -11.396 5.262 1.00 0.00 N ATOM 842 CA ALA A 54 5.383 -10.447 5.283 1.00 0.00 C ATOM 843 C ALA A 54 4.909 -9.005 5.097 1.00 0.00 C ATOM 844 O ALA A 54 5.721 -8.081 5.053 1.00 0.00 O ATOM 845 CB ALA A 54 6.403 -10.807 4.216 1.00 0.00 C ATOM 0 H ALA A 54 4.195 -11.936 4.401 1.00 0.00 H new ATOM 0 HA ALA A 54 5.850 -10.512 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.225 -10.091 4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.788 -11.809 4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.929 -10.779 3.235 1.00 0.00 H new ATOM 851 N PHE A 55 3.598 -8.813 4.992 1.00 0.00 N ATOM 852 CA PHE A 55 3.039 -7.477 4.818 1.00 0.00 C ATOM 853 C PHE A 55 1.867 -7.244 5.761 1.00 0.00 C ATOM 854 O PHE A 55 1.224 -8.188 6.221 1.00 0.00 O ATOM 855 CB PHE A 55 2.573 -7.268 3.378 1.00 0.00 C ATOM 856 CG PHE A 55 3.643 -7.504 2.352 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.626 -6.555 2.138 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.661 -8.667 1.599 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.610 -6.758 1.193 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.642 -8.876 0.650 1.00 0.00 C ATOM 861 CZ PHE A 55 5.619 -7.920 0.447 1.00 0.00 C ATOM 0 H PHE A 55 2.906 -9.561 5.024 1.00 0.00 H new ATOM 0 HA PHE A 55 3.829 -6.762 5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.736 -7.937 3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.200 -6.250 3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.623 -5.644 2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.900 -9.417 1.756 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.372 -6.009 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.646 -9.785 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.388 -8.081 -0.294 1.00 0.00 H new ATOM 871 N GLU A 56 1.591 -5.976 6.034 1.00 0.00 N ATOM 872 CA GLU A 56 0.491 -5.600 6.908 1.00 0.00 C ATOM 873 C GLU A 56 -0.006 -4.201 6.562 1.00 0.00 C ATOM 874 O GLU A 56 0.750 -3.230 6.620 1.00 0.00 O ATOM 875 CB GLU A 56 0.931 -5.654 8.373 1.00 0.00 C ATOM 876 CG GLU A 56 0.631 -6.982 9.048 1.00 0.00 C ATOM 877 CD GLU A 56 1.753 -7.441 9.958 1.00 0.00 C ATOM 878 OE1 GLU A 56 1.910 -6.857 11.050 1.00 0.00 O ATOM 879 OE2 GLU A 56 2.477 -8.385 9.576 1.00 0.00 O ATOM 0 H GLU A 56 2.118 -5.187 5.660 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.324 -6.309 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.002 -5.461 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.433 -4.855 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.288 -6.891 9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.453 -7.741 8.286 1.00 0.00 H new ATOM 886 N ILE A 57 -1.279 -4.105 6.193 1.00 0.00 N ATOM 887 CA ILE A 57 -1.871 -2.824 5.831 1.00 0.00 C ATOM 888 C ILE A 57 -2.137 -1.968 7.066 1.00 0.00 C ATOM 889 O ILE A 57 -3.126 -2.161 7.772 1.00 0.00 O ATOM 890 CB ILE A 57 -3.182 -3.007 5.034 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.687 -1.653 4.530 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.245 -3.696 5.882 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.501 -1.749 3.256 1.00 0.00 C ATOM 0 H ILE A 57 -1.919 -4.898 6.137 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.148 -2.312 5.196 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.975 -3.645 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.295 -1.189 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.834 -0.997 4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.158 -3.813 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.884 -4.677 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.454 -3.092 6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.826 -0.753 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.890 -2.184 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.374 -2.379 3.428 1.00 0.00 H new ATOM 905 N LEU A 58 -1.240 -1.022 7.323 1.00 0.00 N ATOM 906 CA LEU A 58 -1.365 -0.132 8.472 1.00 0.00 C ATOM 907 C LEU A 58 -2.745 0.522 8.517 1.00 0.00 C ATOM 908 O LEU A 58 -3.476 0.524 7.526 1.00 0.00 O ATOM 909 CB LEU A 58 -0.275 0.942 8.423 1.00 0.00 C ATOM 910 CG LEU A 58 0.708 0.931 9.596 1.00 0.00 C ATOM 911 CD1 LEU A 58 1.199 -0.483 9.876 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.881 1.855 9.307 1.00 0.00 C ATOM 0 H LEU A 58 -0.415 -0.851 6.748 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.244 -0.727 9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.288 0.823 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.754 1.920 8.381 1.00 0.00 H new ATOM 0 HG LEU A 58 0.189 1.292 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.896 -0.467 10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.350 -1.121 10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.702 -0.875 8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.573 1.838 10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.396 1.519 8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.516 2.871 9.158 1.00 0.00 H new ATOM 924 N ALA A 59 -3.096 1.072 9.675 1.00 0.00 N ATOM 925 CA ALA A 59 -4.387 1.726 9.855 1.00 0.00 C ATOM 926 C ALA A 59 -4.492 2.995 9.014 1.00 0.00 C ATOM 927 O ALA A 59 -5.592 3.458 8.711 1.00 0.00 O ATOM 928 CB ALA A 59 -4.613 2.046 11.324 1.00 0.00 C ATOM 0 H ALA A 59 -2.503 1.078 10.505 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.161 1.038 9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.580 2.534 11.445 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.597 1.123 11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.824 2.710 11.677 1.00 0.00 H new ATOM 934 N ASN A 60 -3.345 3.556 8.639 1.00 0.00 N ATOM 935 CA ASN A 60 -3.319 4.774 7.835 1.00 0.00 C ATOM 936 C ASN A 60 -3.152 4.450 6.351 1.00 0.00 C ATOM 937 O ASN A 60 -2.553 5.221 5.602 1.00 0.00 O ATOM 938 CB ASN A 60 -2.195 5.705 8.299 1.00 0.00 C ATOM 939 CG ASN A 60 -0.895 4.969 8.565 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.025 4.890 7.699 1.00 0.00 O ATOM 941 ND2 ASN A 60 -0.756 4.427 9.769 1.00 0.00 N ATOM 0 H ASN A 60 -2.424 3.188 8.878 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.274 5.281 7.971 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.026 6.469 7.541 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.508 6.221 9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.098 3.921 10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.503 4.516 10.458 1.00 0.00 H new ATOM 948 N GLY A 61 -3.691 3.308 5.935 1.00 0.00 N ATOM 949 CA GLY A 61 -3.600 2.905 4.543 1.00 0.00 C ATOM 950 C GLY A 61 -2.169 2.827 4.043 1.00 0.00 C ATOM 951 O GLY A 61 -1.893 3.145 2.886 1.00 0.00 O ATOM 0 H GLY A 61 -4.190 2.654 6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.076 1.932 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.156 3.612 3.928 1.00 0.00 H new ATOM 955 N ASP A 62 -1.257 2.402 4.913 1.00 0.00 N ATOM 956 CA ASP A 62 0.151 2.284 4.542 1.00 0.00 C ATOM 957 C ASP A 62 0.587 0.822 4.505 1.00 0.00 C ATOM 958 O ASP A 62 -0.028 -0.036 5.138 1.00 0.00 O ATOM 959 CB ASP A 62 1.030 3.073 5.516 1.00 0.00 C ATOM 960 CG ASP A 62 1.299 4.484 5.027 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.234 4.710 3.801 1.00 0.00 O ATOM 962 OD2 ASP A 62 1.574 5.363 5.871 1.00 0.00 O ATOM 0 H ASP A 62 -1.465 2.135 5.875 1.00 0.00 H new ATOM 0 HA ASP A 62 0.271 2.702 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.544 3.114 6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.977 2.551 5.654 1.00 0.00 H new ATOM 967 N LEU A 63 1.651 0.545 3.755 1.00 0.00 N ATOM 968 CA LEU A 63 2.172 -0.822 3.630 1.00 0.00 C ATOM 969 C LEU A 63 3.266 -1.081 4.662 1.00 0.00 C ATOM 970 O LEU A 63 4.265 -0.363 4.708 1.00 0.00 O ATOM 971 CB LEU A 63 2.735 -1.041 2.225 1.00 0.00 C ATOM 972 CG LEU A 63 2.978 -2.498 1.836 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.672 -3.181 1.459 1.00 0.00 C ATOM 974 CD2 LEU A 63 3.969 -2.574 0.685 1.00 0.00 C ATOM 0 H LEU A 63 2.171 1.244 3.224 1.00 0.00 H new ATOM 0 HA LEU A 63 1.351 -1.517 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.047 -0.600 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.677 -0.498 2.141 1.00 0.00 H new ATOM 0 HG LEU A 63 3.398 -3.020 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.869 -4.218 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.989 -3.153 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.221 -2.662 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.135 -3.617 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.570 -2.036 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.914 -2.123 0.988 1.00 0.00 H new ATOM 986 N LYS A 64 3.079 -2.110 5.485 1.00 0.00 N ATOM 987 CA LYS A 64 4.062 -2.451 6.505 1.00 0.00 C ATOM 988 C LYS A 64 4.802 -3.736 6.141 1.00 0.00 C ATOM 989 O LYS A 64 4.234 -4.827 6.201 1.00 0.00 O ATOM 990 CB LYS A 64 3.383 -2.608 7.866 1.00 0.00 C ATOM 991 CG LYS A 64 4.223 -2.104 9.028 1.00 0.00 C ATOM 992 CD LYS A 64 3.963 -2.906 10.292 1.00 0.00 C ATOM 993 CE LYS A 64 4.904 -4.094 10.402 1.00 0.00 C ATOM 994 NZ LYS A 64 4.704 -4.848 11.670 1.00 0.00 N ATOM 0 H LYS A 64 2.260 -2.718 5.465 1.00 0.00 H new ATOM 0 HA LYS A 64 4.787 -1.639 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.435 -2.070 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.150 -3.661 8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.280 -2.165 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.000 -1.053 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.084 -2.263 11.164 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.931 -3.257 10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.746 -4.761 9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.935 -3.746 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.365 -5.650 11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.879 -4.219 12.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.727 -5.203 11.713 1.00 0.00 H new ATOM 1008 N ILE A 65 6.072 -3.598 5.770 1.00 0.00 N ATOM 1009 CA ILE A 65 6.892 -4.748 5.402 1.00 0.00 C ATOM 1010 C ILE A 65 7.568 -5.338 6.639 1.00 0.00 C ATOM 1011 O ILE A 65 8.055 -4.602 7.497 1.00 0.00 O ATOM 1012 CB ILE A 65 7.968 -4.369 4.364 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.411 -3.344 3.364 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.473 -5.615 3.648 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.351 -3.031 2.217 1.00 0.00 C ATOM 0 H ILE A 65 6.555 -2.701 5.716 1.00 0.00 H new ATOM 0 HA ILE A 65 6.229 -5.490 4.957 1.00 0.00 H new ATOM 0 HB ILE A 65 8.810 -3.910 4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.472 -3.720 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.182 -2.420 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.232 -5.333 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.906 -6.302 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.643 -6.103 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.887 -2.300 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.282 -2.624 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.561 -3.944 1.659 1.00 0.00 H new ATOM 1027 N LYS A 66 7.583 -6.665 6.736 1.00 0.00 N ATOM 1028 CA LYS A 66 8.186 -7.340 7.884 1.00 0.00 C ATOM 1029 C LYS A 66 9.675 -7.589 7.677 1.00 0.00 C ATOM 1030 O LYS A 66 10.489 -7.340 8.567 1.00 0.00 O ATOM 1031 CB LYS A 66 7.471 -8.664 8.156 1.00 0.00 C ATOM 1032 CG LYS A 66 7.992 -9.397 9.381 1.00 0.00 C ATOM 1033 CD LYS A 66 7.689 -10.885 9.310 1.00 0.00 C ATOM 1034 CE LYS A 66 7.782 -11.538 10.679 1.00 0.00 C ATOM 1035 NZ LYS A 66 7.628 -13.017 10.601 1.00 0.00 N ATOM 0 H LYS A 66 7.186 -7.293 6.037 1.00 0.00 H new ATOM 0 HA LYS A 66 8.073 -6.682 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.406 -8.472 8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.577 -9.310 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.068 -9.247 9.466 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.540 -8.975 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.690 -11.035 8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.388 -11.368 8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.744 -11.297 11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.011 -11.127 11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.698 -13.424 11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.700 -13.248 10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.379 -13.413 10.000 1.00 0.00 H new ATOM 1049 N ASN A 67 10.018 -8.084 6.503 1.00 0.00 N ATOM 1050 CA ASN A 67 11.403 -8.378 6.165 1.00 0.00 C ATOM 1051 C ASN A 67 11.679 -8.039 4.706 1.00 0.00 C ATOM 1052 O ASN A 67 11.197 -8.717 3.798 1.00 0.00 O ATOM 1053 CB ASN A 67 11.715 -9.854 6.431 1.00 0.00 C ATOM 1054 CG ASN A 67 12.878 -10.036 7.386 1.00 0.00 C ATOM 1055 OD1 ASN A 67 12.933 -9.409 8.445 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.817 -10.900 7.016 1.00 0.00 N ATOM 0 H ASN A 67 9.352 -8.293 5.759 1.00 0.00 H new ATOM 0 HA ASN A 67 12.048 -7.764 6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.831 -10.341 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.942 -10.350 5.487 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.624 -11.065 7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.731 -11.398 6.130 1.00 0.00 H new ATOM 1063 N LEU A 68 12.451 -6.982 4.488 1.00 0.00 N ATOM 1064 CA LEU A 68 12.782 -6.543 3.144 1.00 0.00 C ATOM 1065 C LEU A 68 13.458 -7.647 2.346 1.00 0.00 C ATOM 1066 O LEU A 68 14.111 -8.530 2.905 1.00 0.00 O ATOM 1067 CB LEU A 68 13.677 -5.313 3.207 1.00 0.00 C ATOM 1068 CG LEU A 68 12.939 -4.021 3.544 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.818 -3.099 4.375 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.471 -3.329 2.275 1.00 0.00 C ATOM 0 H LEU A 68 12.860 -6.413 5.229 1.00 0.00 H new ATOM 0 HA LEU A 68 11.853 -6.289 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.454 -5.480 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.178 -5.192 2.247 1.00 0.00 H new ATOM 0 HG LEU A 68 12.060 -4.271 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.272 -2.184 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.094 -3.599 5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.720 -2.853 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.947 -2.409 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.333 -3.092 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.797 -3.989 1.728 1.00 0.00 H new ATOM 1082 N THR A 69 13.292 -7.585 1.034 1.00 0.00 N ATOM 1083 CA THR A 69 13.877 -8.575 0.137 1.00 0.00 C ATOM 1084 C THR A 69 14.103 -7.991 -1.255 1.00 0.00 C ATOM 1085 O THR A 69 13.515 -6.971 -1.616 1.00 0.00 O ATOM 1086 CB THR A 69 12.978 -9.808 0.048 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.617 -9.429 -0.068 1.00 0.00 O ATOM 1088 CG2 THR A 69 13.100 -10.721 1.247 1.00 0.00 C ATOM 0 H THR A 69 12.755 -6.857 0.563 1.00 0.00 H new ATOM 0 HA THR A 69 14.844 -8.868 0.545 1.00 0.00 H new ATOM 0 HB THR A 69 13.313 -10.349 -0.837 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.371 -9.379 -1.015 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.437 -11.577 1.122 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.129 -11.070 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.823 -10.176 2.149 1.00 0.00 H new ATOM 1096 N ARG A 70 14.962 -8.647 -2.031 1.00 0.00 N ATOM 1097 CA ARG A 70 15.276 -8.197 -3.389 1.00 0.00 C ATOM 1098 C ARG A 70 14.006 -7.944 -4.195 1.00 0.00 C ATOM 1099 O ARG A 70 13.799 -6.849 -4.718 1.00 0.00 O ATOM 1100 CB ARG A 70 16.146 -9.233 -4.101 1.00 0.00 C ATOM 1101 CG ARG A 70 17.561 -9.318 -3.554 1.00 0.00 C ATOM 1102 CD ARG A 70 18.324 -8.022 -3.777 1.00 0.00 C ATOM 1103 NE ARG A 70 18.358 -7.641 -5.187 1.00 0.00 N ATOM 1104 CZ ARG A 70 18.872 -6.498 -5.634 1.00 0.00 C ATOM 1105 NH1 ARG A 70 19.396 -5.622 -4.787 1.00 0.00 N ATOM 1106 NH2 ARG A 70 18.863 -6.231 -6.933 1.00 0.00 N ATOM 0 H ARG A 70 15.455 -9.493 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 70 15.824 -7.258 -3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.673 -10.212 -4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.190 -8.990 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 70 17.527 -9.542 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 70 18.090 -10.140 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 70 17.860 -7.224 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 70 19.343 -8.133 -3.407 1.00 0.00 H new ATOM 0 HE ARG A 70 17.965 -8.289 -5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 70 19.406 -5.823 -3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 70 19.789 -4.748 -5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.462 -6.902 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 70 19.257 -5.355 -7.276 1.00 0.00 H new ATOM 1120 N ASP A 71 13.158 -8.962 -4.292 1.00 0.00 N ATOM 1121 CA ASP A 71 11.913 -8.859 -5.027 1.00 0.00 C ATOM 1122 C ASP A 71 11.069 -7.685 -4.535 1.00 0.00 C ATOM 1123 O ASP A 71 10.206 -7.186 -5.257 1.00 0.00 O ATOM 1124 CB ASP A 71 11.129 -10.162 -4.890 1.00 0.00 C ATOM 1125 CG ASP A 71 11.096 -10.677 -3.464 1.00 0.00 C ATOM 1126 OD1 ASP A 71 10.882 -9.860 -2.543 1.00 0.00 O ATOM 1127 OD2 ASP A 71 11.282 -11.897 -3.268 1.00 0.00 O ATOM 0 H ASP A 71 13.317 -9.874 -3.865 1.00 0.00 H new ATOM 0 HA ASP A 71 12.149 -8.681 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.108 -10.006 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.575 -10.919 -5.535 1.00 0.00 H new ATOM 1132 N ASP A 72 11.318 -7.247 -3.303 1.00 0.00 N ATOM 1133 CA ASP A 72 10.574 -6.132 -2.728 1.00 0.00 C ATOM 1134 C ASP A 72 11.131 -4.789 -3.202 1.00 0.00 C ATOM 1135 O ASP A 72 10.479 -3.755 -3.056 1.00 0.00 O ATOM 1136 CB ASP A 72 10.604 -6.204 -1.199 1.00 0.00 C ATOM 1137 CG ASP A 72 9.244 -5.944 -0.582 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.243 -6.473 -1.109 1.00 0.00 O ATOM 1139 OD2 ASP A 72 9.180 -5.212 0.428 1.00 0.00 O ATOM 0 H ASP A 72 12.026 -7.646 -2.687 1.00 0.00 H new ATOM 0 HA ASP A 72 9.541 -6.209 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.958 -7.188 -0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.319 -5.475 -0.817 1.00 0.00 H new ATOM 1144 N SER A 73 12.335 -4.808 -3.771 1.00 0.00 N ATOM 1145 CA SER A 73 12.964 -3.589 -4.264 1.00 0.00 C ATOM 1146 C SER A 73 12.460 -3.249 -5.662 1.00 0.00 C ATOM 1147 O SER A 73 12.413 -4.111 -6.541 1.00 0.00 O ATOM 1148 CB SER A 73 14.486 -3.746 -4.282 1.00 0.00 C ATOM 1149 OG SER A 73 14.919 -4.404 -5.461 1.00 0.00 O ATOM 0 H SER A 73 12.891 -5.653 -3.901 1.00 0.00 H new ATOM 0 HA SER A 73 12.699 -2.773 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.956 -2.765 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.806 -4.312 -3.408 1.00 0.00 H new ATOM 0 HG SER A 73 14.645 -5.344 -5.430 1.00 0.00 H new ATOM 1155 N GLY A 74 12.081 -1.991 -5.865 1.00 0.00 N ATOM 1156 CA GLY A 74 11.585 -1.571 -7.161 1.00 0.00 C ATOM 1157 C GLY A 74 10.637 -0.381 -7.061 1.00 0.00 C ATOM 1158 O GLY A 74 10.959 0.606 -6.402 1.00 0.00 O ATOM 0 H GLY A 74 12.109 -1.258 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.427 -1.309 -7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.069 -2.405 -7.637 1.00 0.00 H new ATOM 1162 N THR A 75 9.473 -0.457 -7.713 1.00 0.00 N ATOM 1163 CA THR A 75 8.507 0.642 -7.675 1.00 0.00 C ATOM 1164 C THR A 75 7.122 0.128 -7.285 1.00 0.00 C ATOM 1165 O THR A 75 6.624 -0.840 -7.859 1.00 0.00 O ATOM 1166 CB THR A 75 8.463 1.330 -9.046 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.485 2.304 -9.148 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.149 2.017 -9.350 1.00 0.00 C ATOM 0 H THR A 75 9.180 -1.261 -8.268 1.00 0.00 H new ATOM 0 HA THR A 75 8.819 1.366 -6.922 1.00 0.00 H new ATOM 0 HB THR A 75 8.599 0.524 -9.767 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.443 2.731 -10.029 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.199 2.478 -10.336 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.343 1.284 -9.333 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.958 2.784 -8.600 1.00 0.00 H new ATOM 1176 N TYR A 76 6.502 0.790 -6.313 1.00 0.00 N ATOM 1177 CA TYR A 76 5.170 0.408 -5.854 1.00 0.00 C ATOM 1178 C TYR A 76 4.131 1.392 -6.376 1.00 0.00 C ATOM 1179 O TYR A 76 4.424 2.572 -6.561 1.00 0.00 O ATOM 1180 CB TYR A 76 5.120 0.357 -4.325 1.00 0.00 C ATOM 1181 CG TYR A 76 5.861 -0.820 -3.725 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.246 -0.893 -3.781 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.175 -1.855 -3.099 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.928 -1.962 -3.231 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.851 -2.928 -2.547 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.226 -2.975 -2.616 1.00 0.00 C ATOM 1187 OH TYR A 76 7.901 -4.041 -2.065 1.00 0.00 O ATOM 0 H TYR A 76 6.900 1.594 -5.828 1.00 0.00 H new ATOM 0 HA TYR A 76 4.945 -0.585 -6.242 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.541 1.280 -3.927 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.078 0.318 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.800 -0.101 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.097 -1.820 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.006 -2.003 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.304 -3.724 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 76 8.835 -4.026 -2.362 1.00 0.00 H new ATOM 1197 N ASN A 77 2.920 0.903 -6.620 1.00 0.00 N ATOM 1198 CA ASN A 77 1.848 1.750 -7.130 1.00 0.00 C ATOM 1199 C ASN A 77 0.569 1.577 -6.318 1.00 0.00 C ATOM 1200 O ASN A 77 0.035 0.469 -6.209 1.00 0.00 O ATOM 1201 CB ASN A 77 1.575 1.422 -8.600 1.00 0.00 C ATOM 1202 CG ASN A 77 2.366 2.302 -9.548 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.375 3.526 -9.417 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.033 1.679 -10.513 1.00 0.00 N ATOM 0 H ASN A 77 2.657 -0.072 -6.474 1.00 0.00 H new ATOM 0 HA ASN A 77 2.170 2.788 -7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.822 0.377 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.511 1.539 -8.803 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.581 2.218 -11.184 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.997 0.662 -10.583 1.00 0.00 H new ATOM 1211 N VAL A 78 0.072 2.679 -5.759 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.155 2.640 -4.973 1.00 0.00 C ATOM 1213 C VAL A 78 -2.323 3.248 -5.742 1.00 0.00 C ATOM 1214 O VAL A 78 -2.231 4.372 -6.245 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.039 3.386 -3.623 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.871 2.673 -2.565 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.412 3.535 -3.167 1.00 0.00 C ATOM 0 H VAL A 78 0.498 3.603 -5.836 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.331 1.583 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.427 4.395 -3.765 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.785 3.203 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.915 2.653 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.509 1.652 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.442 4.065 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.859 2.548 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.972 4.098 -3.913 1.00 0.00 H new ATOM 1227 N THR A 79 -3.428 2.507 -5.808 1.00 0.00 N ATOM 1228 CA THR A 79 -4.629 2.973 -6.488 1.00 0.00 C ATOM 1229 C THR A 79 -5.759 3.135 -5.479 1.00 0.00 C ATOM 1230 O THR A 79 -6.422 2.167 -5.107 1.00 0.00 O ATOM 1231 CB THR A 79 -5.040 1.998 -7.595 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.051 1.002 -7.786 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.270 2.677 -8.927 1.00 0.00 C ATOM 0 H THR A 79 -3.513 1.578 -5.396 1.00 0.00 H new ATOM 0 HA THR A 79 -4.418 3.938 -6.949 1.00 0.00 H new ATOM 0 HB THR A 79 -5.978 1.557 -7.258 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.336 0.390 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.559 1.933 -9.670 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.065 3.416 -8.826 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.353 3.172 -9.246 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.958 4.366 -5.027 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.991 4.667 -4.044 1.00 0.00 C ATOM 1243 C VAL A 80 -8.318 5.001 -4.718 1.00 0.00 C ATOM 1244 O VAL A 80 -8.377 5.833 -5.622 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.562 5.846 -3.138 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.682 6.246 -2.188 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.299 5.502 -2.356 1.00 0.00 C ATOM 0 H VAL A 80 -5.415 5.176 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.125 3.775 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.345 6.696 -3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.351 7.076 -1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.556 6.550 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.942 5.398 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.019 6.347 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.485 4.630 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.489 5.283 -3.051 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.386 4.347 -4.264 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.712 4.576 -4.815 1.00 0.00 C ATOM 1259 C TYR A 81 -11.696 4.980 -3.729 1.00 0.00 C ATOM 1260 O TYR A 81 -11.538 4.631 -2.556 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.233 3.333 -5.515 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.440 2.939 -6.742 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.663 3.562 -7.963 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.471 1.946 -6.679 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -9.942 3.207 -9.087 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.746 1.585 -7.800 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.986 2.218 -9.000 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.266 1.861 -10.117 1.00 0.00 O ATOM 0 H TYR A 81 -9.354 3.655 -3.516 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.622 5.387 -5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.228 2.502 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.271 3.499 -5.804 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.412 4.337 -8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.281 1.448 -5.740 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.127 3.702 -10.029 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.996 0.811 -7.735 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.633 1.150 -9.885 1.00 0.00 H new ATOM 1278 N SER A 82 -12.721 5.706 -4.152 1.00 0.00 N ATOM 1279 CA SER A 82 -13.767 6.184 -3.255 1.00 0.00 C ATOM 1280 C SER A 82 -14.883 5.156 -3.106 1.00 0.00 C ATOM 1281 O SER A 82 -14.881 4.118 -3.768 1.00 0.00 O ATOM 1282 CB SER A 82 -14.346 7.503 -3.771 1.00 0.00 C ATOM 1283 OG SER A 82 -13.814 7.837 -5.042 1.00 0.00 O ATOM 0 H SER A 82 -12.852 5.981 -5.125 1.00 0.00 H new ATOM 0 HA SER A 82 -13.316 6.344 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.431 7.425 -3.838 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.127 8.301 -3.062 1.00 0.00 H new ATOM 0 HG SER A 82 -14.179 8.699 -5.333 1.00 0.00 H new ATOM 1289 N THR A 83 -15.836 5.460 -2.232 1.00 0.00 N ATOM 1290 CA THR A 83 -16.968 4.572 -1.990 1.00 0.00 C ATOM 1291 C THR A 83 -17.802 4.387 -3.255 1.00 0.00 C ATOM 1292 O THR A 83 -18.536 3.407 -3.385 1.00 0.00 O ATOM 1293 CB THR A 83 -17.844 5.128 -0.866 1.00 0.00 C ATOM 1294 OG1 THR A 83 -17.933 6.539 -0.950 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.336 4.780 0.518 1.00 0.00 C ATOM 0 H THR A 83 -15.847 6.316 -1.678 1.00 0.00 H new ATOM 0 HA THR A 83 -16.576 3.599 -1.693 1.00 0.00 H new ATOM 0 HB THR A 83 -18.820 4.663 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.499 6.875 -0.224 1.00 0.00 H new ATOM 0 HG21 THR A 83 -18.003 5.205 1.268 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.305 3.696 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.334 5.188 0.651 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.687 5.331 -4.185 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.434 5.264 -5.436 1.00 0.00 C ATOM 1305 C ASN A 84 -17.588 4.655 -6.551 1.00 0.00 C ATOM 1306 O ASN A 84 -17.819 4.918 -7.732 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.907 6.660 -5.845 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.574 7.403 -4.704 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -19.067 8.419 -4.230 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.717 6.897 -4.257 1.00 0.00 N ATOM 0 H ASN A 84 -17.085 6.149 -4.096 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.301 4.623 -5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.055 7.239 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.606 6.574 -6.677 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.211 7.353 -3.490 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -21.101 6.052 -4.680 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.610 3.837 -6.171 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.748 3.203 -7.153 1.00 0.00 C ATOM 1319 C GLY A 85 -15.065 4.204 -8.065 1.00 0.00 C ATOM 1320 O GLY A 85 -14.733 3.888 -9.207 1.00 0.00 O ATOM 0 H GLY A 85 -16.399 3.602 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.991 2.611 -6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.337 2.512 -7.755 1.00 0.00 H new ATOM 1324 N THR A 86 -14.853 5.415 -7.560 1.00 0.00 N ATOM 1325 CA THR A 86 -14.205 6.464 -8.337 1.00 0.00 C ATOM 1326 C THR A 86 -12.722 6.561 -7.989 1.00 0.00 C ATOM 1327 O THR A 86 -12.301 6.152 -6.907 1.00 0.00 O ATOM 1328 CB THR A 86 -14.888 7.810 -8.088 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.204 7.622 -7.598 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.981 8.673 -9.329 1.00 0.00 C ATOM 0 H THR A 86 -15.121 5.694 -6.616 1.00 0.00 H new ATOM 0 HA THR A 86 -14.297 6.208 -9.393 1.00 0.00 H new ATOM 0 HB THR A 86 -14.262 8.320 -7.355 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.623 8.494 -7.444 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.476 9.613 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.979 8.878 -9.705 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.556 8.150 -10.094 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.937 7.105 -8.912 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.501 7.257 -8.700 1.00 0.00 C ATOM 1340 C ARG A 87 -10.212 8.439 -7.783 1.00 0.00 C ATOM 1341 O ARG A 87 -10.402 9.595 -8.164 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.773 7.440 -10.037 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.433 6.719 -11.203 1.00 0.00 C ATOM 1344 CD ARG A 87 -9.410 5.999 -12.067 1.00 0.00 C ATOM 1345 NE ARG A 87 -9.931 5.697 -13.399 1.00 0.00 N ATOM 1346 CZ ARG A 87 -9.250 5.033 -14.328 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -8.021 4.597 -14.077 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -9.799 4.801 -15.513 1.00 0.00 N ATOM 0 H ARG A 87 -12.269 7.448 -9.813 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.134 6.348 -8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.717 8.504 -10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.749 7.081 -9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.159 6.001 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.983 7.437 -11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.516 6.615 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.110 5.073 -11.577 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.873 6.014 -13.629 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.594 4.771 -13.167 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.504 4.088 -14.794 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.743 5.132 -15.711 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.277 4.292 -16.226 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.756 8.142 -6.571 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.447 9.179 -5.595 1.00 0.00 C ATOM 1364 C ILE A 88 -7.985 9.609 -5.687 1.00 0.00 C ATOM 1365 O ILE A 88 -7.683 10.801 -5.722 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.750 8.700 -4.158 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -11.251 8.463 -3.986 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.248 9.710 -3.130 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -12.078 9.726 -4.089 1.00 0.00 C ATOM 0 H ILE A 88 -9.592 7.191 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 88 -10.082 10.034 -5.826 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.225 7.760 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.588 7.755 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.429 8.000 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.473 9.350 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.170 9.834 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.741 10.669 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.132 9.482 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.768 10.428 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.930 10.179 -5.069 1.00 0.00 H new ATOM 1381 N LEU A 89 -7.080 8.635 -5.717 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.654 8.935 -5.794 1.00 0.00 C ATOM 1383 C LEU A 89 -4.869 7.788 -6.425 1.00 0.00 C ATOM 1384 O LEU A 89 -5.230 6.620 -6.295 1.00 0.00 O ATOM 1385 CB LEU A 89 -5.108 9.237 -4.393 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.581 9.244 -4.269 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -3.128 10.320 -3.295 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -3.077 7.877 -3.830 1.00 0.00 C ATOM 0 H LEU A 89 -7.305 7.641 -5.689 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.531 9.811 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.485 10.209 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.508 8.498 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.157 9.469 -5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.041 10.309 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.457 11.296 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.561 10.128 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.990 7.899 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.510 7.623 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.369 7.128 -4.566 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.779 8.144 -7.093 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.903 7.175 -7.739 1.00 0.00 C ATOM 1402 C ASN A 90 -1.455 7.606 -7.556 1.00 0.00 C ATOM 1403 O ASN A 90 -1.019 8.598 -8.139 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.237 7.055 -9.228 1.00 0.00 C ATOM 1405 CG ASN A 90 -2.383 6.019 -9.931 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -1.789 6.291 -10.975 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.318 4.821 -9.361 1.00 0.00 N ATOM 0 H ASN A 90 -3.477 9.112 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.051 6.198 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.289 6.792 -9.341 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.097 8.024 -9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.759 4.082 -9.789 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.827 4.640 -8.496 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.717 6.883 -6.721 1.00 0.00 N ATOM 1415 CA LYS A 91 0.674 7.239 -6.449 1.00 0.00 C ATOM 1416 C LYS A 91 1.645 6.115 -6.795 1.00 0.00 C ATOM 1417 O LYS A 91 1.278 4.941 -6.839 1.00 0.00 O ATOM 1418 CB LYS A 91 0.839 7.622 -4.978 1.00 0.00 C ATOM 1419 CG LYS A 91 0.039 8.846 -4.572 1.00 0.00 C ATOM 1420 CD LYS A 91 0.874 10.114 -4.661 1.00 0.00 C ATOM 1421 CE LYS A 91 0.685 10.813 -5.997 1.00 0.00 C ATOM 1422 NZ LYS A 91 -0.298 11.928 -5.907 1.00 0.00 N ATOM 0 H LYS A 91 -1.052 6.057 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 91 0.915 8.089 -7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.537 6.779 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.894 7.805 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.836 8.940 -5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.327 8.721 -3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.597 10.791 -3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.927 9.868 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.643 11.201 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.347 10.091 -6.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.398 12.379 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.220 11.555 -5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.036 12.631 -5.217 1.00 0.00 H new ATOM 1436 N ALA A 92 2.898 6.501 -7.025 1.00 0.00 N ATOM 1437 CA ALA A 92 3.959 5.561 -7.354 1.00 0.00 C ATOM 1438 C ALA A 92 5.250 5.957 -6.644 1.00 0.00 C ATOM 1439 O ALA A 92 5.718 7.087 -6.778 1.00 0.00 O ATOM 1440 CB ALA A 92 4.172 5.518 -8.858 1.00 0.00 C ATOM 0 H ALA A 92 3.203 7.474 -6.988 1.00 0.00 H new ATOM 0 HA ALA A 92 3.667 4.567 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.968 4.811 -9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.251 5.202 -9.347 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.450 6.510 -9.215 1.00 0.00 H new ATOM 1446 N LEU A 93 5.818 5.031 -5.877 1.00 0.00 N ATOM 1447 CA LEU A 93 7.048 5.307 -5.139 1.00 0.00 C ATOM 1448 C LEU A 93 8.158 4.331 -5.510 1.00 0.00 C ATOM 1449 O LEU A 93 7.909 3.284 -6.108 1.00 0.00 O ATOM 1450 CB LEU A 93 6.787 5.242 -3.633 1.00 0.00 C ATOM 1451 CG LEU A 93 5.446 5.820 -3.177 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.315 4.850 -3.480 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.486 6.147 -1.692 1.00 0.00 C ATOM 0 H LEU A 93 5.450 4.088 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 93 7.375 6.311 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.842 4.201 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.587 5.774 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 93 5.263 6.742 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.369 5.279 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.273 4.664 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.491 3.911 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.524 6.557 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.692 5.239 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.271 6.879 -1.502 1.00 0.00 H new ATOM 1465 N ASP A 94 9.387 4.683 -5.139 1.00 0.00 N ATOM 1466 CA ASP A 94 10.546 3.844 -5.417 1.00 0.00 C ATOM 1467 C ASP A 94 11.111 3.276 -4.117 1.00 0.00 C ATOM 1468 O ASP A 94 11.433 4.022 -3.191 1.00 0.00 O ATOM 1469 CB ASP A 94 11.623 4.649 -6.147 1.00 0.00 C ATOM 1470 CG ASP A 94 11.137 5.192 -7.476 1.00 0.00 C ATOM 1471 OD1 ASP A 94 11.262 4.475 -8.491 1.00 0.00 O ATOM 1472 OD2 ASP A 94 10.632 6.335 -7.502 1.00 0.00 O ATOM 0 H ASP A 94 9.604 5.547 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 94 10.231 3.019 -6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.945 5.477 -5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.495 4.017 -6.313 1.00 0.00 H new ATOM 1477 N LEU A 95 11.218 1.954 -4.044 1.00 0.00 N ATOM 1478 CA LEU A 95 11.731 1.296 -2.850 1.00 0.00 C ATOM 1479 C LEU A 95 13.120 0.709 -3.090 1.00 0.00 C ATOM 1480 O LEU A 95 13.270 -0.240 -3.862 1.00 0.00 O ATOM 1481 CB LEU A 95 10.776 0.178 -2.421 1.00 0.00 C ATOM 1482 CG LEU A 95 10.576 0.010 -0.912 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.870 -1.302 -0.614 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.905 0.075 -0.172 1.00 0.00 C ATOM 0 H LEU A 95 10.956 1.318 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 95 11.806 2.045 -2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.804 0.362 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.146 -0.764 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 95 9.953 0.833 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.735 -1.406 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.896 -1.311 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.471 -2.131 -0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.732 -0.047 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.559 -0.722 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.377 1.040 -0.355 1.00 0.00 H new ATOM 1496 N ARG A 96 14.131 1.255 -2.414 1.00 0.00 N ATOM 1497 CA ARG A 96 15.495 0.747 -2.557 1.00 0.00 C ATOM 1498 C ARG A 96 15.966 0.110 -1.253 1.00 0.00 C ATOM 1499 O ARG A 96 16.060 0.773 -0.214 1.00 0.00 O ATOM 1500 CB ARG A 96 16.464 1.849 -2.998 1.00 0.00 C ATOM 1501 CG ARG A 96 16.168 3.221 -2.405 1.00 0.00 C ATOM 1502 CD ARG A 96 17.157 4.281 -2.882 1.00 0.00 C ATOM 1503 NE ARG A 96 18.312 3.704 -3.572 1.00 0.00 N ATOM 1504 CZ ARG A 96 18.312 3.356 -4.858 1.00 0.00 C ATOM 1505 NH1 ARG A 96 17.222 3.519 -5.597 1.00 0.00 N ATOM 1506 NH2 ARG A 96 19.406 2.843 -5.404 1.00 0.00 N ATOM 0 H ARG A 96 14.034 2.040 -1.769 1.00 0.00 H new ATOM 0 HA ARG A 96 15.485 -0.015 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.477 1.558 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.440 1.924 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.156 3.522 -2.677 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.201 3.159 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 96 16.647 4.973 -3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 96 17.502 4.861 -2.027 1.00 0.00 H new ATOM 0 HE ARG A 96 19.168 3.560 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 96 16.378 3.913 -5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 96 17.228 3.251 -6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 96 20.246 2.715 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 96 19.408 2.576 -6.388 1.00 0.00 H new ATOM 1520 N ILE A 97 16.240 -1.189 -1.314 1.00 0.00 N ATOM 1521 CA ILE A 97 16.676 -1.937 -0.143 1.00 0.00 C ATOM 1522 C ILE A 97 18.146 -2.321 -0.229 1.00 0.00 C ATOM 1523 O ILE A 97 18.530 -3.179 -1.026 1.00 0.00 O ATOM 1524 CB ILE A 97 15.853 -3.228 0.047 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.410 -3.041 -0.436 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.876 -3.653 1.506 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.731 -4.339 -0.816 1.00 0.00 C ATOM 0 H ILE A 97 16.167 -1.746 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 97 16.522 -1.273 0.708 1.00 0.00 H new ATOM 0 HB ILE A 97 16.307 -4.014 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.832 -2.553 0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.406 -2.372 -1.297 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.292 -4.565 1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.905 -3.837 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.448 -2.862 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.713 -4.134 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 97 14.287 -4.818 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.703 -5.002 0.049 1.00 0.00 H new ATOM 1539 N LEU A 98 18.963 -1.700 0.611 1.00 0.00 N ATOM 1540 CA LEU A 98 20.374 -1.981 0.656 1.00 0.00 C ATOM 1541 C LEU A 98 20.611 -3.416 1.111 1.00 0.00 C ATOM 1542 O LEU A 98 20.090 -3.852 2.142 1.00 0.00 O ATOM 1543 CB LEU A 98 21.043 -1.000 1.610 1.00 0.00 C ATOM 1544 CG LEU A 98 21.686 0.212 0.942 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.335 1.113 1.981 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.703 -0.229 -0.098 1.00 0.00 C ATOM 0 H LEU A 98 18.657 -0.989 1.276 1.00 0.00 H new ATOM 0 HA LEU A 98 20.803 -1.867 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.300 -0.650 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.807 -1.532 2.177 1.00 0.00 H new ATOM 0 HG LEU A 98 20.906 0.781 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.788 1.972 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.579 1.458 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.104 0.556 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 98 23.151 0.649 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.481 -0.822 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.207 -0.831 -0.860 1.00 0.00 H new ATOM 1558 N GLU A 99 21.391 -4.143 0.329 1.00 0.00 N ATOM 1559 CA GLU A 99 21.703 -5.534 0.633 1.00 0.00 C ATOM 1560 C GLU A 99 22.415 -5.651 1.977 1.00 0.00 C ATOM 1561 O GLU A 99 22.594 -6.791 2.455 1.00 0.00 O ATOM 1562 CB GLU A 99 22.574 -6.137 -0.472 1.00 0.00 C ATOM 1563 CG GLU A 99 21.839 -6.329 -1.788 1.00 0.00 C ATOM 1564 CD GLU A 99 21.343 -7.750 -1.977 1.00 0.00 C ATOM 1565 OE1 GLU A 99 20.339 -8.118 -1.333 1.00 0.00 O ATOM 1566 OE2 GLU A 99 21.960 -8.493 -2.768 1.00 0.00 O ATOM 1567 OXT GLU A 99 22.788 -4.601 2.541 1.00 0.00 O ATOM 0 H GLU A 99 21.823 -3.793 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 99 20.765 -6.086 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 99 23.436 -5.490 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 99 22.958 -7.100 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 99 20.992 -5.644 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 99 22.503 -6.067 -2.612 1.00 0.00 H new TER 1574 GLU A 99 HETATM 1575 CA CA A 100 2.679 4.254 7.285 1.00 0.00 CA