USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 732 hydrogens (21 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 39 HIS : no HD1:sc= 0.0584 K(o=-2.8,f=-6.2!) USER MOD Set 1.2: A 88 PNS S44 : rot -4:sc= -2.83! USER MOD Set 2.1: A 85 HIS : no HD1:sc= -0.0138 X(o=-0.026,f=0) USER MOD Set 2.2: A 87 HIS : no HD1:sc= -0.0125 X(o=-0.026,f=0) USER MOD Set 3.1: A 23 THR OG1 : rot -41:sc= 1.22 USER MOD Set 3.2: A 26 THR OG1 : rot -160:sc= 1.48 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= 0.374 (180deg=-0.0464) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.175 USER MOD Single : A 8 THR OG1 : rot 53:sc= 1.2 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -36:sc= -0.175 USER MOD Single : A 29 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 38 SER OG : rot 178:sc= -0.699 USER MOD Single : A 40 MET CE :methyl -169:sc= -0.0251 (180deg=-0.175) USER MOD Single : A 41 ASN : amide:sc=-0.00775 K(o=-0.0078,f=-0.61) USER MOD Single : A 45 SER OG : rot 82:sc= 1.14 USER MOD Single : A 49 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.0035) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.436 USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0195) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0157 F(o=-2.3!,f=-0.016) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.0446 F(o=-0.74,f=-0.045) USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000188) USER MOD Single : A 75 LYS NZ :NH3+ 137:sc= 0.419! (180deg=-0.0452!) USER MOD Single : A 79 LYS NZ :NH3+ 142:sc= -0.507 (180deg=-2.19!) USER MOD Single : A 82 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 PNS O33 : rot -46:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.519 1.078 6.019 1.00 0.00 N ATOM 2 CA MET A 1 -11.755 1.850 6.297 1.00 0.00 C ATOM 3 C MET A 1 -11.513 3.388 6.182 1.00 0.00 C ATOM 4 O MET A 1 -12.135 4.024 5.323 1.00 0.00 O ATOM 5 CB MET A 1 -12.382 1.470 7.674 1.00 0.00 C ATOM 6 CG MET A 1 -12.781 -0.008 7.831 1.00 0.00 C ATOM 7 SD MET A 1 -11.373 -1.131 7.710 1.00 0.00 S ATOM 8 CE MET A 1 -12.160 -2.732 7.934 1.00 0.00 C ATOM 0 H1 MET A 1 -10.649 0.513 5.156 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.723 1.734 5.887 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.317 0.445 6.819 1.00 0.00 H new ATOM 0 HA MET A 1 -12.479 1.577 5.529 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.671 1.722 8.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.266 2.087 7.834 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.269 -0.147 8.796 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.512 -0.265 7.064 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.407 -3.518 7.882 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.651 -2.763 8.907 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.900 -2.887 7.149 1.00 0.00 H new ATOM 20 N PRO A 2 -10.579 4.032 6.994 1.00 0.00 N ATOM 21 CA PRO A 2 -10.402 5.507 7.004 1.00 0.00 C ATOM 22 C PRO A 2 -9.308 5.936 6.003 1.00 0.00 C ATOM 23 O PRO A 2 -8.451 6.756 6.313 1.00 0.00 O ATOM 24 CB PRO A 2 -9.992 5.741 8.479 1.00 0.00 C ATOM 25 CG PRO A 2 -9.102 4.572 8.800 1.00 0.00 C ATOM 26 CD PRO A 2 -9.575 3.416 7.916 1.00 0.00 C ATOM 0 HA PRO A 2 -11.276 6.084 6.700 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.466 6.688 8.602 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.862 5.772 9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.058 4.812 8.600 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.172 4.308 9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.746 2.976 7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.020 2.618 8.511 1.00 0.00 H new ATOM 34 N THR A 3 -9.407 5.386 4.788 1.00 0.00 N ATOM 35 CA THR A 3 -8.336 5.416 3.777 1.00 0.00 C ATOM 36 C THR A 3 -7.984 6.854 3.316 1.00 0.00 C ATOM 37 O THR A 3 -6.981 7.419 3.768 1.00 0.00 O ATOM 38 CB THR A 3 -8.734 4.508 2.570 1.00 0.00 C ATOM 39 OG1 THR A 3 -10.000 4.913 2.029 1.00 0.00 O ATOM 40 CG2 THR A 3 -8.815 3.031 2.967 1.00 0.00 C ATOM 0 H THR A 3 -10.245 4.899 4.471 1.00 0.00 H new ATOM 0 HA THR A 3 -7.429 5.025 4.238 1.00 0.00 H new ATOM 0 HB THR A 3 -7.953 4.624 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.233 4.335 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.095 2.435 2.098 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.845 2.700 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.564 2.905 3.749 1.00 0.00 H new ATOM 48 N LEU A 4 -8.848 7.453 2.473 1.00 0.00 N ATOM 49 CA LEU A 4 -8.653 8.821 1.936 1.00 0.00 C ATOM 50 C LEU A 4 -8.666 9.861 3.075 1.00 0.00 C ATOM 51 O LEU A 4 -7.980 10.885 2.992 1.00 0.00 O ATOM 52 CB LEU A 4 -9.752 9.142 0.889 1.00 0.00 C ATOM 53 CG LEU A 4 -9.753 8.240 -0.383 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.992 8.516 -1.262 1.00 0.00 C ATOM 55 CD2 LEU A 4 -8.437 8.403 -1.186 1.00 0.00 C ATOM 0 H LEU A 4 -9.703 7.004 2.143 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.680 8.869 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.725 9.059 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.639 10.180 0.577 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.810 7.202 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.965 7.872 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.897 8.311 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.990 9.560 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.467 7.762 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.327 9.442 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.591 8.120 -0.560 1.00 0.00 H new ATOM 67 N ASP A 5 -9.438 9.547 4.143 1.00 0.00 N ATOM 68 CA ASP A 5 -9.577 10.395 5.353 1.00 0.00 C ATOM 69 C ASP A 5 -8.211 10.653 6.009 1.00 0.00 C ATOM 70 O ASP A 5 -7.799 11.803 6.183 1.00 0.00 O ATOM 71 CB ASP A 5 -10.521 9.720 6.393 1.00 0.00 C ATOM 72 CG ASP A 5 -11.914 9.430 5.829 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.757 10.352 5.796 1.00 0.00 O ATOM 74 OD2 ASP A 5 -12.171 8.281 5.403 1.00 0.00 O ATOM 0 H ASP A 5 -9.988 8.689 4.190 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.005 11.346 5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.071 8.788 6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.615 10.367 7.265 1.00 0.00 H new ATOM 79 N ALA A 6 -7.518 9.548 6.345 1.00 0.00 N ATOM 80 CA ALA A 6 -6.219 9.572 7.037 1.00 0.00 C ATOM 81 C ALA A 6 -5.109 10.150 6.143 1.00 0.00 C ATOM 82 O ALA A 6 -4.191 10.813 6.634 1.00 0.00 O ATOM 83 CB ALA A 6 -5.856 8.154 7.523 1.00 0.00 C ATOM 0 H ALA A 6 -7.849 8.605 6.141 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.307 10.230 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.894 8.180 8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.623 7.798 8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.795 7.481 6.668 1.00 0.00 H new ATOM 89 N LEU A 7 -5.214 9.913 4.829 1.00 0.00 N ATOM 90 CA LEU A 7 -4.225 10.401 3.852 1.00 0.00 C ATOM 91 C LEU A 7 -4.294 11.937 3.693 1.00 0.00 C ATOM 92 O LEU A 7 -3.266 12.567 3.464 1.00 0.00 O ATOM 93 CB LEU A 7 -4.428 9.715 2.473 1.00 0.00 C ATOM 94 CG LEU A 7 -4.181 8.176 2.417 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.394 7.644 0.982 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.784 7.805 2.964 1.00 0.00 C ATOM 0 H LEU A 7 -5.979 9.382 4.413 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.237 10.143 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.449 9.909 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.764 10.193 1.753 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.912 7.692 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.217 6.569 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.417 7.849 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.698 8.138 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.647 6.725 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.017 8.299 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.702 8.129 4.001 1.00 0.00 H new ATOM 108 N THR A 8 -5.503 12.527 3.839 1.00 0.00 N ATOM 109 CA THR A 8 -5.721 13.978 3.601 1.00 0.00 C ATOM 110 C THR A 8 -4.762 14.895 4.446 1.00 0.00 C ATOM 111 O THR A 8 -4.120 15.765 3.849 1.00 0.00 O ATOM 112 CB THR A 8 -7.227 14.375 3.789 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.034 13.619 2.870 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.486 15.879 3.558 1.00 0.00 C ATOM 0 H THR A 8 -6.344 12.023 4.120 1.00 0.00 H new ATOM 0 HA THR A 8 -5.461 14.157 2.558 1.00 0.00 H new ATOM 0 HB THR A 8 -7.490 14.152 4.823 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.836 12.664 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.545 16.092 3.702 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.899 16.462 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.197 16.146 2.541 1.00 0.00 H new ATOM 122 N PRO A 9 -4.621 14.712 5.820 1.00 0.00 N ATOM 123 CA PRO A 9 -3.600 15.444 6.635 1.00 0.00 C ATOM 124 C PRO A 9 -2.159 15.297 6.093 1.00 0.00 C ATOM 125 O PRO A 9 -1.403 16.272 6.062 1.00 0.00 O ATOM 126 CB PRO A 9 -3.711 14.786 8.040 1.00 0.00 C ATOM 127 CG PRO A 9 -5.120 14.303 8.107 1.00 0.00 C ATOM 128 CD PRO A 9 -5.453 13.840 6.703 1.00 0.00 C ATOM 0 HA PRO A 9 -3.790 16.517 6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.003 13.965 8.152 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.497 15.502 8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.223 13.489 8.824 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.793 15.098 8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.211 12.786 6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.515 13.954 6.488 1.00 0.00 H new ATOM 136 N ILE A 10 -1.811 14.066 5.653 1.00 0.00 N ATOM 137 CA ILE A 10 -0.442 13.723 5.194 1.00 0.00 C ATOM 138 C ILE A 10 -0.080 14.512 3.915 1.00 0.00 C ATOM 139 O ILE A 10 0.940 15.194 3.876 1.00 0.00 O ATOM 140 CB ILE A 10 -0.279 12.178 4.910 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.733 11.324 6.145 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.182 11.839 4.490 1.00 0.00 C ATOM 143 CD1 ILE A 10 0.108 11.490 7.399 1.00 0.00 C ATOM 0 H ILE A 10 -2.466 13.285 5.606 1.00 0.00 H new ATOM 0 HA ILE A 10 0.236 13.997 6.002 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.931 11.919 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.765 11.582 6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.725 10.272 5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.267 10.769 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.437 12.389 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.866 12.121 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.291 10.857 8.191 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.138 11.201 7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.082 12.532 7.719 1.00 0.00 H new ATOM 155 N PHE A 11 -0.959 14.416 2.899 1.00 0.00 N ATOM 156 CA PHE A 11 -0.755 15.049 1.576 1.00 0.00 C ATOM 157 C PHE A 11 -0.753 16.585 1.704 1.00 0.00 C ATOM 158 O PHE A 11 0.138 17.259 1.175 1.00 0.00 O ATOM 159 CB PHE A 11 -1.849 14.584 0.569 1.00 0.00 C ATOM 160 CG PHE A 11 -1.699 13.148 0.050 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.689 12.056 0.916 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.573 12.894 -1.314 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.564 10.767 0.440 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.446 11.603 -1.784 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.443 10.540 -0.911 1.00 0.00 C ATOM 0 H PHE A 11 -1.834 13.896 2.970 1.00 0.00 H new ATOM 0 HA PHE A 11 0.216 14.736 1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.823 14.679 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.846 15.263 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.781 12.222 1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.575 13.718 -2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.561 9.935 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.348 11.426 -2.845 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.346 9.531 -1.285 1.00 0.00 H new ATOM 175 N ARG A 12 -1.746 17.119 2.438 1.00 0.00 N ATOM 176 CA ARG A 12 -1.885 18.571 2.659 1.00 0.00 C ATOM 177 C ARG A 12 -0.685 19.151 3.427 1.00 0.00 C ATOM 178 O ARG A 12 -0.372 20.327 3.264 1.00 0.00 O ATOM 179 CB ARG A 12 -3.198 18.900 3.407 1.00 0.00 C ATOM 180 CG ARG A 12 -4.480 18.682 2.584 1.00 0.00 C ATOM 181 CD ARG A 12 -5.724 19.222 3.298 1.00 0.00 C ATOM 182 NE ARG A 12 -6.919 19.129 2.448 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.023 19.870 2.587 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.118 20.785 3.545 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.020 19.702 1.744 1.00 0.00 N ATOM 0 H ARG A 12 -2.470 16.562 2.892 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.915 19.037 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.251 18.286 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.164 19.940 3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.377 19.173 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.608 17.617 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.887 18.662 4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.559 20.261 3.582 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.905 18.445 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.341 20.931 4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.968 21.341 3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.945 19.013 0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.868 20.261 1.839 1.00 0.00 H new ATOM 199 N GLN A 13 -0.041 18.331 4.276 1.00 0.00 N ATOM 200 CA GLN A 13 1.170 18.735 5.012 1.00 0.00 C ATOM 201 C GLN A 13 2.385 18.772 4.066 1.00 0.00 C ATOM 202 O GLN A 13 3.015 19.824 3.886 1.00 0.00 O ATOM 203 CB GLN A 13 1.429 17.752 6.200 1.00 0.00 C ATOM 204 CG GLN A 13 2.681 18.044 7.054 1.00 0.00 C ATOM 205 CD GLN A 13 2.664 19.425 7.709 1.00 0.00 C ATOM 206 OE1 GLN A 13 3.176 20.404 7.152 1.00 0.00 O ATOM 207 NE2 GLN A 13 2.060 19.531 8.889 1.00 0.00 N ATOM 0 H GLN A 13 -0.343 17.376 4.470 1.00 0.00 H new ATOM 0 HA GLN A 13 1.019 19.736 5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.556 17.764 6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.514 16.742 5.799 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.767 17.284 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.568 17.960 6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.646 18.707 9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.011 20.436 9.357 1.00 0.00 H new ATOM 216 N VAL A 14 2.666 17.604 3.451 1.00 0.00 N ATOM 217 CA VAL A 14 3.847 17.377 2.590 1.00 0.00 C ATOM 218 C VAL A 14 3.922 18.385 1.423 1.00 0.00 C ATOM 219 O VAL A 14 4.914 19.109 1.287 1.00 0.00 O ATOM 220 CB VAL A 14 3.831 15.895 2.039 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.869 15.671 0.911 1.00 0.00 C ATOM 222 CG2 VAL A 14 4.041 14.886 3.197 1.00 0.00 C ATOM 0 H VAL A 14 2.071 16.780 3.540 1.00 0.00 H new ATOM 0 HA VAL A 14 4.736 17.530 3.201 1.00 0.00 H new ATOM 0 HB VAL A 14 2.849 15.724 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.817 14.638 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.652 16.341 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.870 15.877 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.027 13.870 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.002 15.076 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.242 15.001 3.929 1.00 0.00 H new ATOM 232 N PHE A 15 2.855 18.449 0.623 1.00 0.00 N ATOM 233 CA PHE A 15 2.795 19.329 -0.560 1.00 0.00 C ATOM 234 C PHE A 15 2.442 20.772 -0.147 1.00 0.00 C ATOM 235 O PHE A 15 2.726 21.717 -0.900 1.00 0.00 O ATOM 236 CB PHE A 15 1.773 18.780 -1.584 1.00 0.00 C ATOM 237 CG PHE A 15 2.098 17.373 -2.096 1.00 0.00 C ATOM 238 CD1 PHE A 15 3.040 17.178 -3.107 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.480 16.244 -1.552 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.345 15.907 -3.556 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.789 14.975 -2.003 1.00 0.00 C ATOM 242 CZ PHE A 15 2.723 14.807 -3.005 1.00 0.00 C ATOM 0 H PHE A 15 2.010 17.898 0.771 1.00 0.00 H new ATOM 0 HA PHE A 15 3.777 19.347 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.784 18.769 -1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.723 19.462 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.537 18.031 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.749 16.365 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.074 15.775 -4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.300 14.114 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.966 13.815 -3.357 1.00 0.00 H new ATOM 252 N ASP A 16 1.830 20.917 1.060 1.00 0.00 N ATOM 253 CA ASP A 16 1.397 22.203 1.642 1.00 0.00 C ATOM 254 C ASP A 16 0.351 22.879 0.738 1.00 0.00 C ATOM 255 O ASP A 16 0.685 23.762 -0.069 1.00 0.00 O ATOM 256 CB ASP A 16 2.605 23.139 1.954 1.00 0.00 C ATOM 257 CG ASP A 16 2.198 24.437 2.683 1.00 0.00 C ATOM 258 OD1 ASP A 16 1.954 24.385 3.908 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.124 25.522 2.045 1.00 0.00 O ATOM 0 H ASP A 16 1.623 20.121 1.663 1.00 0.00 H new ATOM 0 HA ASP A 16 0.921 21.996 2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.327 22.598 2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.107 23.396 1.021 1.00 0.00 H new ATOM 264 N ASP A 17 -0.912 22.414 0.848 1.00 0.00 N ATOM 265 CA ASP A 17 -2.011 22.888 -0.012 1.00 0.00 C ATOM 266 C ASP A 17 -3.388 22.435 0.514 1.00 0.00 C ATOM 267 O ASP A 17 -3.614 21.242 0.728 1.00 0.00 O ATOM 268 CB ASP A 17 -1.791 22.405 -1.473 1.00 0.00 C ATOM 269 CG ASP A 17 -2.906 22.818 -2.443 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.244 24.019 -2.491 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.460 21.954 -3.149 1.00 0.00 O ATOM 0 H ASP A 17 -1.194 21.708 1.528 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.004 23.978 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.843 22.801 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.705 21.318 -1.476 1.00 0.00 H new ATOM 276 N ASP A 18 -4.294 23.413 0.707 1.00 0.00 N ATOM 277 CA ASP A 18 -5.701 23.179 1.120 1.00 0.00 C ATOM 278 C ASP A 18 -6.549 22.599 -0.035 1.00 0.00 C ATOM 279 O ASP A 18 -7.527 21.879 0.203 1.00 0.00 O ATOM 280 CB ASP A 18 -6.319 24.519 1.619 1.00 0.00 C ATOM 281 CG ASP A 18 -7.792 24.407 2.064 1.00 0.00 C ATOM 282 OD1 ASP A 18 -8.063 23.797 3.124 1.00 0.00 O ATOM 283 OD2 ASP A 18 -8.687 24.932 1.361 1.00 0.00 O ATOM 0 H ASP A 18 -4.072 24.400 0.580 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.704 22.445 1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.726 24.891 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.247 25.259 0.822 1.00 0.00 H new ATOM 288 N SER A 19 -6.147 22.892 -1.286 1.00 0.00 N ATOM 289 CA SER A 19 -6.897 22.475 -2.493 1.00 0.00 C ATOM 290 C SER A 19 -6.770 20.957 -2.764 1.00 0.00 C ATOM 291 O SER A 19 -7.457 20.424 -3.642 1.00 0.00 O ATOM 292 CB SER A 19 -6.411 23.291 -3.717 1.00 0.00 C ATOM 293 OG SER A 19 -6.428 24.681 -3.448 1.00 0.00 O ATOM 0 H SER A 19 -5.299 23.421 -1.491 1.00 0.00 H new ATOM 0 HA SER A 19 -7.954 22.677 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.400 22.982 -3.984 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.047 23.077 -4.576 1.00 0.00 H new ATOM 0 HG SER A 19 -6.115 25.171 -4.237 1.00 0.00 H new ATOM 299 N ILE A 20 -5.863 20.276 -2.018 1.00 0.00 N ATOM 300 CA ILE A 20 -5.730 18.809 -2.061 1.00 0.00 C ATOM 301 C ILE A 20 -7.005 18.139 -1.492 1.00 0.00 C ATOM 302 O ILE A 20 -7.228 18.109 -0.272 1.00 0.00 O ATOM 303 CB ILE A 20 -4.438 18.317 -1.295 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.148 18.844 -2.000 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.394 16.772 -1.153 1.00 0.00 C ATOM 306 CD1 ILE A 20 -1.839 18.458 -1.337 1.00 0.00 C ATOM 0 H ILE A 20 -5.212 20.730 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.616 18.511 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.482 18.731 -0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.139 18.475 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.202 19.931 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.489 16.481 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.267 16.433 -0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.395 16.315 -2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.007 18.874 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.816 18.851 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.752 17.372 -1.308 1.00 0.00 H new ATOM 318 N VAL A 21 -7.848 17.663 -2.417 1.00 0.00 N ATOM 319 CA VAL A 21 -9.075 16.916 -2.126 1.00 0.00 C ATOM 320 C VAL A 21 -8.892 15.512 -2.729 1.00 0.00 C ATOM 321 O VAL A 21 -8.820 15.372 -3.955 1.00 0.00 O ATOM 322 CB VAL A 21 -10.334 17.638 -2.746 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.641 16.875 -2.427 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.419 19.120 -2.287 1.00 0.00 C ATOM 0 H VAL A 21 -7.689 17.791 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.248 16.856 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.210 17.634 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.487 17.401 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.584 15.868 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.774 16.818 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.297 19.589 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.497 19.161 -1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.523 19.652 -2.607 1.00 0.00 H new ATOM 334 N LEU A 22 -8.760 14.489 -1.873 1.00 0.00 N ATOM 335 CA LEU A 22 -8.358 13.136 -2.300 1.00 0.00 C ATOM 336 C LEU A 22 -9.568 12.261 -2.639 1.00 0.00 C ATOM 337 O LEU A 22 -10.509 12.140 -1.849 1.00 0.00 O ATOM 338 CB LEU A 22 -7.495 12.465 -1.204 1.00 0.00 C ATOM 339 CG LEU A 22 -6.151 13.187 -0.877 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.383 12.439 0.223 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.279 13.378 -2.147 1.00 0.00 C ATOM 0 H LEU A 22 -8.927 14.572 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.766 13.238 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.085 12.400 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.273 11.444 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.392 14.182 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.450 12.961 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.989 12.400 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.164 11.425 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.352 13.884 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.049 12.405 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.823 13.980 -2.875 1.00 0.00 H new ATOM 353 N THR A 23 -9.497 11.641 -3.823 1.00 0.00 N ATOM 354 CA THR A 23 -10.468 10.658 -4.319 1.00 0.00 C ATOM 355 C THR A 23 -9.671 9.419 -4.759 1.00 0.00 C ATOM 356 O THR A 23 -8.430 9.469 -4.855 1.00 0.00 O ATOM 357 CB THR A 23 -11.333 11.200 -5.514 1.00 0.00 C ATOM 358 OG1 THR A 23 -10.496 11.549 -6.634 1.00 0.00 O ATOM 359 CG2 THR A 23 -12.196 12.411 -5.108 1.00 0.00 C ATOM 0 H THR A 23 -8.739 11.815 -4.483 1.00 0.00 H new ATOM 0 HA THR A 23 -11.175 10.424 -3.523 1.00 0.00 H new ATOM 0 HB THR A 23 -12.007 10.394 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.686 11.995 -6.310 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.775 12.749 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.874 12.122 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.550 13.219 -4.765 1.00 0.00 H new ATOM 367 N ARG A 24 -10.371 8.316 -5.049 1.00 0.00 N ATOM 368 CA ARG A 24 -9.728 7.055 -5.464 1.00 0.00 C ATOM 369 C ARG A 24 -9.206 7.110 -6.920 1.00 0.00 C ATOM 370 O ARG A 24 -8.663 6.118 -7.414 1.00 0.00 O ATOM 371 CB ARG A 24 -10.703 5.862 -5.297 1.00 0.00 C ATOM 372 CG ARG A 24 -11.282 5.679 -3.877 1.00 0.00 C ATOM 373 CD ARG A 24 -12.069 4.361 -3.707 1.00 0.00 C ATOM 374 NE ARG A 24 -11.184 3.176 -3.750 1.00 0.00 N ATOM 375 CZ ARG A 24 -11.125 2.279 -4.743 1.00 0.00 C ATOM 376 NH1 ARG A 24 -11.857 2.433 -5.844 1.00 0.00 N ATOM 377 NH2 ARG A 24 -10.303 1.237 -4.633 1.00 0.00 N ATOM 0 H ARG A 24 -11.389 8.267 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.867 6.912 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.530 5.989 -5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.184 4.947 -5.581 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.467 5.704 -3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.938 6.519 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.605 4.379 -2.758 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.818 4.282 -4.495 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.564 3.029 -2.953 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.472 3.241 -5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.803 1.743 -6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.726 1.128 -3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.250 0.548 -5.383 1.00 0.00 H new ATOM 391 N GLU A 25 -9.387 8.258 -7.607 1.00 0.00 N ATOM 392 CA GLU A 25 -8.843 8.484 -8.962 1.00 0.00 C ATOM 393 C GLU A 25 -7.863 9.677 -8.984 1.00 0.00 C ATOM 394 O GLU A 25 -7.266 9.960 -10.031 1.00 0.00 O ATOM 395 CB GLU A 25 -9.993 8.707 -9.976 1.00 0.00 C ATOM 396 CG GLU A 25 -10.914 7.490 -10.187 1.00 0.00 C ATOM 397 CD GLU A 25 -11.970 7.726 -11.279 1.00 0.00 C ATOM 398 OE1 GLU A 25 -11.657 7.523 -12.476 1.00 0.00 O ATOM 399 OE2 GLU A 25 -13.105 8.137 -10.958 1.00 0.00 O ATOM 0 H GLU A 25 -9.912 9.051 -7.239 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.287 7.592 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.598 9.548 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.562 8.989 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.309 6.624 -10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.415 7.252 -9.249 1.00 0.00 H new ATOM 406 N THR A 26 -7.705 10.378 -7.835 1.00 0.00 N ATOM 407 CA THR A 26 -6.690 11.445 -7.691 1.00 0.00 C ATOM 408 C THR A 26 -5.284 10.852 -7.860 1.00 0.00 C ATOM 409 O THR A 26 -5.022 9.761 -7.367 1.00 0.00 O ATOM 410 CB THR A 26 -6.794 12.170 -6.301 1.00 0.00 C ATOM 411 OG1 THR A 26 -8.095 12.737 -6.146 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.739 13.284 -6.125 1.00 0.00 C ATOM 0 H THR A 26 -8.267 10.223 -6.998 1.00 0.00 H new ATOM 0 HA THR A 26 -6.878 12.186 -8.468 1.00 0.00 H new ATOM 0 HB THR A 26 -6.608 11.414 -5.539 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.068 13.436 -5.459 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.860 13.749 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.740 12.855 -6.202 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.871 14.036 -6.903 1.00 0.00 H new ATOM 420 N SER A 27 -4.401 11.568 -8.569 1.00 0.00 N ATOM 421 CA SER A 27 -3.025 11.132 -8.845 1.00 0.00 C ATOM 422 C SER A 27 -2.115 12.357 -8.992 1.00 0.00 C ATOM 423 O SER A 27 -2.547 13.500 -8.784 1.00 0.00 O ATOM 424 CB SER A 27 -3.004 10.284 -10.144 1.00 0.00 C ATOM 425 OG SER A 27 -3.510 11.011 -11.247 1.00 0.00 O ATOM 0 H SER A 27 -4.625 12.478 -8.972 1.00 0.00 H new ATOM 0 HA SER A 27 -2.660 10.523 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.983 9.965 -10.355 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.597 9.381 -10.000 1.00 0.00 H new ATOM 0 HG SER A 27 -4.247 11.585 -10.950 1.00 0.00 H new ATOM 431 N ALA A 28 -0.849 12.106 -9.343 1.00 0.00 N ATOM 432 CA ALA A 28 0.088 13.154 -9.753 1.00 0.00 C ATOM 433 C ALA A 28 -0.306 13.817 -11.087 1.00 0.00 C ATOM 434 O ALA A 28 0.255 14.853 -11.455 1.00 0.00 O ATOM 435 CB ALA A 28 1.467 12.549 -9.855 1.00 0.00 C ATOM 0 H ALA A 28 -0.446 11.169 -9.350 1.00 0.00 H new ATOM 0 HA ALA A 28 0.067 13.943 -9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.179 13.316 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.760 12.146 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.459 11.747 -10.594 1.00 0.00 H new ATOM 441 N ASN A 29 -1.255 13.210 -11.817 1.00 0.00 N ATOM 442 CA ASN A 29 -1.831 13.809 -13.023 1.00 0.00 C ATOM 443 C ASN A 29 -2.823 14.916 -12.613 1.00 0.00 C ATOM 444 O ASN A 29 -2.973 15.924 -13.310 1.00 0.00 O ATOM 445 CB ASN A 29 -2.535 12.706 -13.852 1.00 0.00 C ATOM 446 CG ASN A 29 -3.253 13.236 -15.092 1.00 0.00 C ATOM 447 OD1 ASN A 29 -2.662 13.350 -16.168 1.00 0.00 O ATOM 448 ND2 ASN A 29 -4.532 13.568 -14.953 1.00 0.00 N ATOM 0 H ASN A 29 -1.641 12.294 -11.586 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.050 14.256 -13.638 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.795 11.967 -14.159 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.256 12.191 -13.217 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.055 13.930 -15.751 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.991 13.461 -14.048 1.00 0.00 H new ATOM 455 N ASP A 30 -3.501 14.696 -11.468 1.00 0.00 N ATOM 456 CA ASP A 30 -4.455 15.661 -10.885 1.00 0.00 C ATOM 457 C ASP A 30 -3.729 16.754 -10.080 1.00 0.00 C ATOM 458 O ASP A 30 -4.250 17.861 -9.927 1.00 0.00 O ATOM 459 CB ASP A 30 -5.476 14.921 -9.985 1.00 0.00 C ATOM 460 CG ASP A 30 -6.316 13.898 -10.767 1.00 0.00 C ATOM 461 OD1 ASP A 30 -7.379 14.267 -11.302 1.00 0.00 O ATOM 462 OD2 ASP A 30 -5.909 12.725 -10.865 1.00 0.00 O ATOM 0 H ASP A 30 -3.402 13.841 -10.920 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.985 16.147 -11.704 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.945 14.412 -9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.139 15.649 -9.518 1.00 0.00 H new ATOM 467 N ILE A 31 -2.513 16.443 -9.588 1.00 0.00 N ATOM 468 CA ILE A 31 -1.700 17.372 -8.781 1.00 0.00 C ATOM 469 C ILE A 31 -0.416 17.688 -9.569 1.00 0.00 C ATOM 470 O ILE A 31 0.506 16.870 -9.613 1.00 0.00 O ATOM 471 CB ILE A 31 -1.356 16.785 -7.349 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.662 16.471 -6.542 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.420 17.735 -6.546 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.449 15.913 -5.134 1.00 0.00 C ATOM 0 H ILE A 31 -2.067 15.538 -9.740 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.272 18.282 -8.603 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.818 15.850 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.250 17.386 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.257 15.756 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.208 17.297 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.513 17.874 -7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.909 18.700 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.416 15.731 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.893 14.977 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.886 16.632 -4.539 1.00 0.00 H new ATOM 486 N ASP A 32 -0.404 18.860 -10.230 1.00 0.00 N ATOM 487 CA ASP A 32 0.725 19.333 -11.059 1.00 0.00 C ATOM 488 C ASP A 32 2.018 19.465 -10.228 1.00 0.00 C ATOM 489 O ASP A 32 3.109 19.090 -10.678 1.00 0.00 O ATOM 490 CB ASP A 32 0.364 20.696 -11.714 1.00 0.00 C ATOM 491 CG ASP A 32 1.483 21.274 -12.609 1.00 0.00 C ATOM 492 OD1 ASP A 32 1.586 20.873 -13.788 1.00 0.00 O ATOM 493 OD2 ASP A 32 2.268 22.134 -12.143 1.00 0.00 O ATOM 0 H ASP A 32 -1.186 19.514 -10.205 1.00 0.00 H new ATOM 0 HA ASP A 32 0.906 18.594 -11.839 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.539 20.573 -12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.132 21.415 -10.929 1.00 0.00 H new ATOM 498 N ALA A 33 1.867 19.967 -8.992 1.00 0.00 N ATOM 499 CA ALA A 33 2.984 20.226 -8.061 1.00 0.00 C ATOM 500 C ALA A 33 3.429 18.950 -7.297 1.00 0.00 C ATOM 501 O ALA A 33 4.059 19.041 -6.236 1.00 0.00 O ATOM 502 CB ALA A 33 2.580 21.347 -7.086 1.00 0.00 C ATOM 0 H ALA A 33 0.955 20.208 -8.603 1.00 0.00 H new ATOM 0 HA ALA A 33 3.848 20.544 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.401 21.543 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.354 22.254 -7.647 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.699 21.040 -6.523 1.00 0.00 H new ATOM 508 N TRP A 34 3.115 17.755 -7.837 1.00 0.00 N ATOM 509 CA TRP A 34 3.583 16.474 -7.275 1.00 0.00 C ATOM 510 C TRP A 34 4.990 16.127 -7.842 1.00 0.00 C ATOM 511 O TRP A 34 5.125 15.319 -8.763 1.00 0.00 O ATOM 512 CB TRP A 34 2.529 15.376 -7.590 1.00 0.00 C ATOM 513 CG TRP A 34 2.687 14.061 -6.852 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.820 13.318 -6.700 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.641 13.313 -6.215 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.544 12.179 -6.004 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.224 12.152 -5.694 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.269 13.520 -6.029 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.492 11.194 -5.007 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.459 12.569 -5.355 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.158 11.417 -4.845 1.00 0.00 C ATOM 0 H TRP A 34 2.534 17.652 -8.669 1.00 0.00 H new ATOM 0 HA TRP A 34 3.687 16.544 -6.192 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.540 15.777 -7.367 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.556 15.173 -8.661 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.795 13.592 -7.076 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.223 11.460 -5.755 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.209 14.411 -6.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.963 10.304 -4.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.521 12.710 -5.216 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.438 10.691 -4.312 1.00 0.00 H new ATOM 532 N ASP A 35 6.013 16.816 -7.317 1.00 0.00 N ATOM 533 CA ASP A 35 7.447 16.538 -7.610 1.00 0.00 C ATOM 534 C ASP A 35 7.892 15.165 -7.042 1.00 0.00 C ATOM 535 O ASP A 35 7.232 14.615 -6.161 1.00 0.00 O ATOM 536 CB ASP A 35 8.301 17.710 -7.036 1.00 0.00 C ATOM 537 CG ASP A 35 9.819 17.498 -7.160 1.00 0.00 C ATOM 538 OD1 ASP A 35 10.308 17.357 -8.304 1.00 0.00 O ATOM 539 OD2 ASP A 35 10.520 17.460 -6.128 1.00 0.00 O ATOM 0 H ASP A 35 5.878 17.592 -6.669 1.00 0.00 H new ATOM 0 HA ASP A 35 7.595 16.477 -8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.030 18.630 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.049 17.849 -5.985 1.00 0.00 H new ATOM 544 N SER A 36 9.027 14.622 -7.549 1.00 0.00 N ATOM 545 CA SER A 36 9.583 13.325 -7.128 1.00 0.00 C ATOM 546 C SER A 36 10.004 13.357 -5.653 1.00 0.00 C ATOM 547 O SER A 36 9.731 12.432 -4.889 1.00 0.00 O ATOM 548 CB SER A 36 10.839 13.003 -7.985 1.00 0.00 C ATOM 549 OG SER A 36 10.626 12.742 -9.419 1.00 0.00 O ATOM 0 H SER A 36 9.583 15.083 -8.269 1.00 0.00 H new ATOM 0 HA SER A 36 8.813 12.566 -7.264 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.534 13.838 -7.893 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.329 12.131 -7.552 1.00 0.00 H new ATOM 554 N LEU A 37 10.716 14.428 -5.284 1.00 0.00 N ATOM 555 CA LEU A 37 11.228 14.622 -3.916 1.00 0.00 C ATOM 556 C LEU A 37 10.067 14.892 -2.935 1.00 0.00 C ATOM 557 O LEU A 37 10.139 14.520 -1.757 1.00 0.00 O ATOM 558 CB LEU A 37 12.285 15.767 -3.872 1.00 0.00 C ATOM 559 CG LEU A 37 13.636 15.532 -4.631 1.00 0.00 C ATOM 560 CD1 LEU A 37 14.310 14.215 -4.186 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.471 15.601 -6.169 1.00 0.00 C ATOM 0 H LEU A 37 10.955 15.186 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 37 11.726 13.704 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.823 16.667 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.517 15.971 -2.827 1.00 0.00 H new ATOM 0 HG LEU A 37 14.299 16.352 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.244 14.082 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.517 14.255 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.645 13.377 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.436 15.432 -6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.766 14.836 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.095 16.584 -6.451 1.00 0.00 H new ATOM 573 N SER A 38 8.988 15.495 -3.461 1.00 0.00 N ATOM 574 CA SER A 38 7.739 15.734 -2.713 1.00 0.00 C ATOM 575 C SER A 38 7.003 14.396 -2.482 1.00 0.00 C ATOM 576 O SER A 38 6.376 14.183 -1.439 1.00 0.00 O ATOM 577 CB SER A 38 6.854 16.730 -3.495 1.00 0.00 C ATOM 578 OG SER A 38 7.550 17.939 -3.750 1.00 0.00 O ATOM 0 H SER A 38 8.956 15.833 -4.423 1.00 0.00 H new ATOM 0 HA SER A 38 7.968 16.167 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.541 16.281 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.948 16.941 -2.926 1.00 0.00 H new ATOM 0 HG SER A 38 6.981 18.540 -4.275 1.00 0.00 H new ATOM 584 N HIS A 39 7.109 13.506 -3.479 1.00 0.00 N ATOM 585 CA HIS A 39 6.580 12.136 -3.421 1.00 0.00 C ATOM 586 C HIS A 39 7.348 11.305 -2.373 1.00 0.00 C ATOM 587 O HIS A 39 6.747 10.554 -1.608 1.00 0.00 O ATOM 588 CB HIS A 39 6.670 11.482 -4.821 1.00 0.00 C ATOM 589 CG HIS A 39 6.025 10.125 -4.934 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.708 9.940 -4.603 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.524 8.957 -5.402 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.434 8.690 -4.882 1.00 0.00 C ATOM 593 NE2 HIS A 39 5.505 8.048 -5.361 1.00 0.00 N ATOM 0 H HIS A 39 7.572 13.721 -4.362 1.00 0.00 H new ATOM 0 HA HIS A 39 5.533 12.169 -3.119 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.206 12.149 -5.547 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.721 11.392 -5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.533 8.778 -5.742 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.465 8.235 -4.743 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.552 7.068 -5.642 1.00 0.00 H new ATOM 601 N MET A 40 8.683 11.471 -2.331 1.00 0.00 N ATOM 602 CA MET A 40 9.544 10.801 -1.329 1.00 0.00 C ATOM 603 C MET A 40 9.186 11.263 0.092 1.00 0.00 C ATOM 604 O MET A 40 9.136 10.448 1.024 1.00 0.00 O ATOM 605 CB MET A 40 11.044 11.062 -1.620 1.00 0.00 C ATOM 606 CG MET A 40 11.561 10.372 -2.883 1.00 0.00 C ATOM 607 SD MET A 40 11.302 8.577 -2.841 1.00 0.00 S ATOM 608 CE MET A 40 12.275 8.063 -1.419 1.00 0.00 C ATOM 0 H MET A 40 9.195 12.066 -2.982 1.00 0.00 H new ATOM 0 HA MET A 40 9.365 9.728 -1.400 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.204 12.136 -1.714 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.633 10.725 -0.767 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.057 10.789 -3.755 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.624 10.581 -2.999 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.355 6.976 -1.407 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.272 8.499 -1.483 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.789 8.402 -0.504 1.00 0.00 H new ATOM 618 N ASN A 41 8.917 12.577 0.230 1.00 0.00 N ATOM 619 CA ASN A 41 8.458 13.178 1.499 1.00 0.00 C ATOM 620 C ASN A 41 7.095 12.596 1.915 1.00 0.00 C ATOM 621 O ASN A 41 6.834 12.402 3.104 1.00 0.00 O ATOM 622 CB ASN A 41 8.352 14.717 1.400 1.00 0.00 C ATOM 623 CG ASN A 41 9.681 15.415 1.148 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.751 14.894 1.463 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.613 16.613 0.604 1.00 0.00 N ATOM 0 H ASN A 41 9.011 13.249 -0.531 1.00 0.00 H new ATOM 0 HA ASN A 41 9.204 12.934 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.661 14.972 0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.921 15.101 2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.467 17.143 0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.707 17.010 0.357 1.00 0.00 H new ATOM 632 N LEU A 42 6.247 12.313 0.917 1.00 0.00 N ATOM 633 CA LEU A 42 4.898 11.758 1.122 1.00 0.00 C ATOM 634 C LEU A 42 4.990 10.352 1.766 1.00 0.00 C ATOM 635 O LEU A 42 4.337 10.083 2.785 1.00 0.00 O ATOM 636 CB LEU A 42 4.140 11.758 -0.251 1.00 0.00 C ATOM 637 CG LEU A 42 2.585 11.568 -0.242 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.161 10.098 -0.052 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.933 12.495 0.802 1.00 0.00 C ATOM 0 H LEU A 42 6.478 12.463 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 42 4.327 12.374 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.356 12.703 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.568 10.967 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 42 2.220 11.854 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.073 10.030 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.564 9.495 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.546 9.728 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.853 12.349 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.324 12.260 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.161 13.533 0.560 1.00 0.00 H new ATOM 651 N ILE A 43 5.848 9.493 1.180 1.00 0.00 N ATOM 652 CA ILE A 43 6.052 8.097 1.640 1.00 0.00 C ATOM 653 C ILE A 43 6.579 8.072 3.083 1.00 0.00 C ATOM 654 O ILE A 43 6.018 7.384 3.934 1.00 0.00 O ATOM 655 CB ILE A 43 7.016 7.287 0.661 1.00 0.00 C ATOM 656 CG1 ILE A 43 6.235 6.725 -0.576 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.785 6.130 1.373 1.00 0.00 C ATOM 658 CD1 ILE A 43 5.506 7.740 -1.445 1.00 0.00 C ATOM 0 H ILE A 43 6.421 9.744 0.374 1.00 0.00 H new ATOM 0 HA ILE A 43 5.083 7.598 1.622 1.00 0.00 H new ATOM 0 HB ILE A 43 7.759 8.008 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.940 6.183 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.506 5.999 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.423 5.619 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.400 6.541 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.070 5.421 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.006 7.225 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.766 8.269 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.223 8.455 -1.849 1.00 0.00 H new ATOM 670 N VAL A 44 7.632 8.861 3.361 1.00 0.00 N ATOM 671 CA VAL A 44 8.311 8.844 4.670 1.00 0.00 C ATOM 672 C VAL A 44 7.437 9.444 5.789 1.00 0.00 C ATOM 673 O VAL A 44 7.620 9.116 6.963 1.00 0.00 O ATOM 674 CB VAL A 44 9.705 9.550 4.612 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.633 8.838 3.603 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.576 11.065 4.307 1.00 0.00 C ATOM 0 H VAL A 44 8.033 9.521 2.694 1.00 0.00 H new ATOM 0 HA VAL A 44 8.478 7.795 4.915 1.00 0.00 H new ATOM 0 HB VAL A 44 10.159 9.472 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.598 9.344 3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.775 7.801 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.182 8.866 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.568 11.516 4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.085 11.202 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.984 11.544 5.087 1.00 0.00 H new ATOM 686 N SER A 45 6.494 10.321 5.415 1.00 0.00 N ATOM 687 CA SER A 45 5.475 10.853 6.345 1.00 0.00 C ATOM 688 C SER A 45 4.461 9.758 6.731 1.00 0.00 C ATOM 689 O SER A 45 4.033 9.676 7.885 1.00 0.00 O ATOM 690 CB SER A 45 4.762 12.069 5.728 1.00 0.00 C ATOM 691 OG SER A 45 5.675 13.132 5.515 1.00 0.00 O ATOM 0 H SER A 45 6.412 10.683 4.465 1.00 0.00 H new ATOM 0 HA SER A 45 5.979 11.180 7.255 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.301 11.785 4.782 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.960 12.399 6.388 1.00 0.00 H new ATOM 0 HG SER A 45 6.158 12.985 4.675 1.00 0.00 H new ATOM 697 N LEU A 46 4.109 8.898 5.762 1.00 0.00 N ATOM 698 CA LEU A 46 3.240 7.729 6.005 1.00 0.00 C ATOM 699 C LEU A 46 3.979 6.680 6.889 1.00 0.00 C ATOM 700 O LEU A 46 3.370 6.028 7.746 1.00 0.00 O ATOM 701 CB LEU A 46 2.815 7.092 4.656 1.00 0.00 C ATOM 702 CG LEU A 46 1.950 7.967 3.696 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.813 7.309 2.303 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.565 8.258 4.305 1.00 0.00 C ATOM 0 H LEU A 46 4.415 8.990 4.793 1.00 0.00 H new ATOM 0 HA LEU A 46 2.346 8.060 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.718 6.797 4.122 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.260 6.179 4.873 1.00 0.00 H new ATOM 0 HG LEU A 46 2.467 8.918 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.205 7.944 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.801 7.184 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.336 6.334 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.015 8.869 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.042 7.319 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.687 8.792 5.247 1.00 0.00 H new ATOM 716 N GLU A 47 5.298 6.547 6.665 1.00 0.00 N ATOM 717 CA GLU A 47 6.175 5.637 7.429 1.00 0.00 C ATOM 718 C GLU A 47 6.202 6.002 8.922 1.00 0.00 C ATOM 719 O GLU A 47 5.837 5.184 9.772 1.00 0.00 O ATOM 720 CB GLU A 47 7.618 5.677 6.843 1.00 0.00 C ATOM 721 CG GLU A 47 7.761 5.083 5.425 1.00 0.00 C ATOM 722 CD GLU A 47 7.763 3.545 5.399 1.00 0.00 C ATOM 723 OE1 GLU A 47 6.747 2.932 5.766 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.789 2.941 5.021 1.00 0.00 O ATOM 0 H GLU A 47 5.791 7.072 5.943 1.00 0.00 H new ATOM 0 HA GLU A 47 5.773 4.628 7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.958 6.713 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.283 5.136 7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.943 5.447 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.687 5.447 4.979 1.00 0.00 H new ATOM 731 N VAL A 48 6.631 7.238 9.221 1.00 0.00 N ATOM 732 CA VAL A 48 6.844 7.698 10.601 1.00 0.00 C ATOM 733 C VAL A 48 5.526 7.779 11.405 1.00 0.00 C ATOM 734 O VAL A 48 5.487 7.382 12.579 1.00 0.00 O ATOM 735 CB VAL A 48 7.606 9.076 10.642 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.036 8.943 10.063 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.813 10.199 9.925 1.00 0.00 C ATOM 0 H VAL A 48 6.839 7.944 8.515 1.00 0.00 H new ATOM 0 HA VAL A 48 7.472 6.947 11.081 1.00 0.00 H new ATOM 0 HB VAL A 48 7.693 9.363 11.690 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.537 9.910 10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.600 8.217 10.649 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.979 8.608 9.027 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.375 11.132 9.977 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.659 9.926 8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.847 10.330 10.412 1.00 0.00 H new ATOM 747 N HIS A 49 4.444 8.281 10.766 1.00 0.00 N ATOM 748 CA HIS A 49 3.134 8.458 11.430 1.00 0.00 C ATOM 749 C HIS A 49 2.484 7.101 11.749 1.00 0.00 C ATOM 750 O HIS A 49 2.242 6.794 12.920 1.00 0.00 O ATOM 751 CB HIS A 49 2.178 9.357 10.583 1.00 0.00 C ATOM 752 CG HIS A 49 2.451 10.842 10.707 1.00 0.00 C ATOM 753 ND1 HIS A 49 1.632 11.693 11.419 1.00 0.00 N ATOM 754 CD2 HIS A 49 3.457 11.613 10.242 1.00 0.00 C ATOM 755 CE1 HIS A 49 2.113 12.914 11.376 1.00 0.00 C ATOM 756 NE2 HIS A 49 3.224 12.896 10.671 1.00 0.00 N ATOM 0 H HIS A 49 4.454 8.571 9.788 1.00 0.00 H new ATOM 0 HA HIS A 49 3.314 8.972 12.374 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.261 9.070 9.535 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.150 9.161 10.886 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.292 11.281 9.643 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.672 13.784 11.840 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.816 13.704 10.475 1.00 0.00 H new ATOM 765 N TYR A 50 2.262 6.267 10.722 1.00 0.00 N ATOM 766 CA TYR A 50 1.482 5.011 10.870 1.00 0.00 C ATOM 767 C TYR A 50 2.341 3.848 11.404 1.00 0.00 C ATOM 768 O TYR A 50 1.787 2.837 11.842 1.00 0.00 O ATOM 769 CB TYR A 50 0.832 4.609 9.525 1.00 0.00 C ATOM 770 CG TYR A 50 -0.123 5.665 8.946 1.00 0.00 C ATOM 771 CD1 TYR A 50 0.340 6.662 8.092 1.00 0.00 C ATOM 772 CD2 TYR A 50 -1.485 5.662 9.254 1.00 0.00 C ATOM 773 CE1 TYR A 50 -0.505 7.608 7.572 1.00 0.00 C ATOM 774 CE2 TYR A 50 -2.338 6.608 8.728 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.838 7.576 7.885 1.00 0.00 C ATOM 776 OH TYR A 50 -2.672 8.513 7.351 1.00 0.00 O ATOM 0 H TYR A 50 2.608 6.432 9.777 1.00 0.00 H new ATOM 0 HA TYR A 50 0.701 5.210 11.604 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.620 4.411 8.798 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.284 3.677 9.663 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.388 6.691 7.833 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.877 4.905 9.916 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.121 8.376 6.917 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.389 6.591 8.975 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.332 8.793 6.476 1.00 0.00 H new ATOM 786 N LYS A 51 3.689 4.008 11.355 1.00 0.00 N ATOM 787 CA LYS A 51 4.669 2.969 11.760 1.00 0.00 C ATOM 788 C LYS A 51 4.496 1.674 10.935 1.00 0.00 C ATOM 789 O LYS A 51 4.558 0.555 11.457 1.00 0.00 O ATOM 790 CB LYS A 51 4.612 2.713 13.297 1.00 0.00 C ATOM 791 CG LYS A 51 5.028 3.935 14.151 1.00 0.00 C ATOM 792 CD LYS A 51 4.958 3.654 15.671 1.00 0.00 C ATOM 793 CE LYS A 51 5.469 4.835 16.516 1.00 0.00 C ATOM 794 NZ LYS A 51 4.702 6.085 16.280 1.00 0.00 N ATOM 0 H LYS A 51 4.129 4.869 11.030 1.00 0.00 H new ATOM 0 HA LYS A 51 5.669 3.343 11.539 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.598 2.420 13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.263 1.873 13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.044 4.229 13.887 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.380 4.778 13.911 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.927 3.433 15.949 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.548 2.766 15.900 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.411 4.572 17.572 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.520 5.011 16.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.055 6.833 16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.819 6.383 15.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.694 5.916 16.474 1.00 0.00 H new ATOM 808 N ILE A 52 4.319 1.872 9.619 1.00 0.00 N ATOM 809 CA ILE A 52 4.148 0.792 8.631 1.00 0.00 C ATOM 810 C ILE A 52 5.453 0.655 7.814 1.00 0.00 C ATOM 811 O ILE A 52 6.462 1.273 8.181 1.00 0.00 O ATOM 812 CB ILE A 52 2.896 1.083 7.713 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.006 2.475 7.000 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.585 0.982 8.536 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.766 2.884 6.208 1.00 0.00 C ATOM 0 H ILE A 52 4.290 2.803 9.203 1.00 0.00 H new ATOM 0 HA ILE A 52 3.956 -0.156 9.134 1.00 0.00 H new ATOM 0 HB ILE A 52 2.875 0.323 6.931 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.209 3.238 7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.862 2.456 6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.732 1.185 7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.493 -0.021 8.953 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.607 1.711 9.346 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.932 3.859 5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.571 2.146 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.908 2.940 6.878 1.00 0.00 H new ATOM 827 N LYS A 53 5.465 -0.157 6.742 1.00 0.00 N ATOM 828 CA LYS A 53 6.675 -0.334 5.904 1.00 0.00 C ATOM 829 C LYS A 53 6.315 -0.377 4.420 1.00 0.00 C ATOM 830 O LYS A 53 5.724 -1.351 3.964 1.00 0.00 O ATOM 831 CB LYS A 53 7.456 -1.622 6.292 1.00 0.00 C ATOM 832 CG LYS A 53 8.742 -1.831 5.450 1.00 0.00 C ATOM 833 CD LYS A 53 9.483 -3.147 5.764 1.00 0.00 C ATOM 834 CE LYS A 53 10.774 -3.292 4.936 1.00 0.00 C ATOM 835 NZ LYS A 53 11.497 -4.553 5.240 1.00 0.00 N ATOM 0 H LYS A 53 4.659 -0.700 6.433 1.00 0.00 H new ATOM 0 HA LYS A 53 7.318 0.527 6.087 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.724 -1.573 7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.804 -2.486 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.479 -1.816 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.418 -0.994 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.727 -3.182 6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.825 -3.992 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.528 -3.263 3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.428 -2.443 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.359 -4.608 4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.756 -4.571 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.884 -5.365 5.026 1.00 0.00 H new ATOM 849 N PHE A 54 6.668 0.681 3.676 1.00 0.00 N ATOM 850 CA PHE A 54 6.603 0.684 2.207 1.00 0.00 C ATOM 851 C PHE A 54 7.918 0.152 1.643 1.00 0.00 C ATOM 852 O PHE A 54 9.000 0.615 2.027 1.00 0.00 O ATOM 853 CB PHE A 54 6.354 2.101 1.627 1.00 0.00 C ATOM 854 CG PHE A 54 5.035 2.726 2.037 1.00 0.00 C ATOM 855 CD1 PHE A 54 4.942 3.477 3.194 1.00 0.00 C ATOM 856 CD2 PHE A 54 3.883 2.563 1.260 1.00 0.00 C ATOM 857 CE1 PHE A 54 3.760 4.040 3.574 1.00 0.00 C ATOM 858 CE2 PHE A 54 2.692 3.141 1.650 1.00 0.00 C ATOM 859 CZ PHE A 54 2.634 3.878 2.804 1.00 0.00 C ATOM 0 H PHE A 54 7.006 1.557 4.074 1.00 0.00 H new ATOM 0 HA PHE A 54 5.764 0.050 1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.166 2.757 1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.393 2.046 0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.820 3.620 3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.926 1.982 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.709 4.617 4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.806 3.013 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.702 4.332 3.108 1.00 0.00 H new ATOM 869 N ALA A 55 7.809 -0.839 0.766 1.00 0.00 N ATOM 870 CA ALA A 55 8.894 -1.258 -0.111 1.00 0.00 C ATOM 871 C ALA A 55 8.730 -0.478 -1.419 1.00 0.00 C ATOM 872 O ALA A 55 7.603 -0.314 -1.894 1.00 0.00 O ATOM 873 CB ALA A 55 8.842 -2.773 -0.355 1.00 0.00 C ATOM 0 H ALA A 55 6.953 -1.381 0.643 1.00 0.00 H new ATOM 0 HA ALA A 55 9.865 -1.050 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.661 -3.064 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.936 -3.298 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.892 -3.034 -0.822 1.00 0.00 H new ATOM 879 N LEU A 56 9.837 0.011 -1.988 1.00 0.00 N ATOM 880 CA LEU A 56 9.822 0.796 -3.247 1.00 0.00 C ATOM 881 C LEU A 56 9.268 -0.079 -4.400 1.00 0.00 C ATOM 882 O LEU A 56 8.675 0.441 -5.349 1.00 0.00 O ATOM 883 CB LEU A 56 11.262 1.346 -3.537 1.00 0.00 C ATOM 884 CG LEU A 56 11.403 2.581 -4.504 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.235 2.206 -5.987 1.00 0.00 C ATOM 886 CD2 LEU A 56 10.437 3.713 -4.091 1.00 0.00 C ATOM 0 H LEU A 56 10.770 -0.120 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 56 9.160 1.657 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.714 1.616 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.854 0.529 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 56 12.425 2.947 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.343 3.099 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.997 1.478 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.246 1.775 -6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.552 4.556 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.410 3.349 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.666 4.034 -3.075 1.00 0.00 H new ATOM 898 N GLY A 57 9.436 -1.414 -4.276 1.00 0.00 N ATOM 899 CA GLY A 57 8.805 -2.370 -5.199 1.00 0.00 C ATOM 900 C GLY A 57 7.273 -2.258 -5.208 1.00 0.00 C ATOM 901 O GLY A 57 6.640 -2.363 -6.265 1.00 0.00 O ATOM 0 H GLY A 57 10.002 -1.848 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.184 -2.201 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.090 -3.384 -4.917 1.00 0.00 H new ATOM 905 N GLU A 58 6.688 -2.031 -4.011 1.00 0.00 N ATOM 906 CA GLU A 58 5.235 -1.774 -3.844 1.00 0.00 C ATOM 907 C GLU A 58 4.839 -0.411 -4.442 1.00 0.00 C ATOM 908 O GLU A 58 3.747 -0.276 -4.998 1.00 0.00 O ATOM 909 CB GLU A 58 4.829 -1.818 -2.348 1.00 0.00 C ATOM 910 CG GLU A 58 5.134 -3.147 -1.646 1.00 0.00 C ATOM 911 CD GLU A 58 4.697 -3.137 -0.175 1.00 0.00 C ATOM 912 OE1 GLU A 58 3.502 -3.374 0.102 1.00 0.00 O ATOM 913 OE2 GLU A 58 5.529 -2.856 0.712 1.00 0.00 O ATOM 0 H GLU A 58 7.207 -2.020 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 58 4.705 -2.562 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.345 -1.016 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.761 -1.616 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.626 -3.957 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.203 -3.350 -1.705 1.00 0.00 H new ATOM 920 N LEU A 59 5.735 0.589 -4.320 1.00 0.00 N ATOM 921 CA LEU A 59 5.535 1.942 -4.896 1.00 0.00 C ATOM 922 C LEU A 59 5.412 1.892 -6.428 1.00 0.00 C ATOM 923 O LEU A 59 4.626 2.641 -7.021 1.00 0.00 O ATOM 924 CB LEU A 59 6.688 2.911 -4.476 1.00 0.00 C ATOM 925 CG LEU A 59 6.545 3.617 -3.095 1.00 0.00 C ATOM 926 CD1 LEU A 59 5.253 4.423 -3.047 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.611 2.633 -1.927 1.00 0.00 C ATOM 0 H LEU A 59 6.618 0.486 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 59 4.597 2.326 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.621 2.348 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.781 3.680 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 59 7.393 4.293 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.165 4.912 -2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.265 5.178 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.403 3.757 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.506 3.176 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.804 1.906 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.570 2.115 -1.942 1.00 0.00 H new ATOM 939 N GLN A 60 6.187 1.008 -7.058 1.00 0.00 N ATOM 940 CA GLN A 60 6.109 0.766 -8.515 1.00 0.00 C ATOM 941 C GLN A 60 4.726 0.202 -8.935 1.00 0.00 C ATOM 942 O GLN A 60 4.324 0.326 -10.094 1.00 0.00 O ATOM 943 CB GLN A 60 7.263 -0.180 -8.945 1.00 0.00 C ATOM 944 CG GLN A 60 8.692 0.347 -8.633 1.00 0.00 C ATOM 945 CD GLN A 60 9.248 1.446 -9.576 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.409 2.300 -10.164 1.00 0.00 O flip ATOM 947 NE2 GLN A 60 10.461 1.527 -9.770 1.00 0.00 N flip ATOM 0 H GLN A 60 6.886 0.438 -6.583 1.00 0.00 H new ATOM 0 HA GLN A 60 6.222 1.720 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.130 -1.141 -8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.184 -0.361 -10.017 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.697 0.737 -7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.379 -0.499 -8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.095 0.870 -9.316 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.832 2.252 -10.385 1.00 0.00 H new ATOM 956 N LYS A 61 4.001 -0.391 -7.970 1.00 0.00 N ATOM 957 CA LYS A 61 2.636 -0.923 -8.180 1.00 0.00 C ATOM 958 C LYS A 61 1.569 0.146 -7.823 1.00 0.00 C ATOM 959 O LYS A 61 0.381 -0.053 -8.082 1.00 0.00 O ATOM 960 CB LYS A 61 2.419 -2.205 -7.319 1.00 0.00 C ATOM 961 CG LYS A 61 3.614 -3.184 -7.306 1.00 0.00 C ATOM 962 CD LYS A 61 4.011 -3.711 -8.704 1.00 0.00 C ATOM 963 CE LYS A 61 5.278 -4.579 -8.653 1.00 0.00 C ATOM 964 NZ LYS A 61 5.614 -5.150 -9.976 1.00 0.00 N ATOM 0 H LYS A 61 4.344 -0.517 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 61 2.527 -1.181 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.201 -1.905 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.540 -2.731 -7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.474 -2.685 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.369 -4.031 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.189 -4.294 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.175 -2.869 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.114 -3.979 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.135 -5.387 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.475 -5.728 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.827 -5.744 -10.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.776 -4.380 -10.656 1.00 0.00 H new ATOM 978 N LEU A 62 2.001 1.270 -7.211 1.00 0.00 N ATOM 979 CA LEU A 62 1.100 2.372 -6.803 1.00 0.00 C ATOM 980 C LEU A 62 1.127 3.472 -7.874 1.00 0.00 C ATOM 981 O LEU A 62 2.145 4.139 -8.056 1.00 0.00 O ATOM 982 CB LEU A 62 1.518 2.940 -5.414 1.00 0.00 C ATOM 983 CG LEU A 62 1.571 1.907 -4.245 1.00 0.00 C ATOM 984 CD1 LEU A 62 1.935 2.585 -2.908 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.260 1.096 -4.138 1.00 0.00 C ATOM 0 H LEU A 62 2.981 1.440 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 62 0.084 1.989 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.501 3.400 -5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.821 3.732 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 62 2.366 1.198 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.963 1.836 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.913 3.058 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.187 3.340 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.336 0.388 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.574 1.774 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.091 0.553 -5.068 1.00 0.00 H new ATOM 997 N LYS A 63 0.008 3.614 -8.595 1.00 0.00 N ATOM 998 CA LYS A 63 -0.132 4.543 -9.732 1.00 0.00 C ATOM 999 C LYS A 63 -0.857 5.830 -9.297 1.00 0.00 C ATOM 1000 O LYS A 63 -0.604 6.903 -9.858 1.00 0.00 O ATOM 1001 CB LYS A 63 -0.877 3.797 -10.888 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.163 4.602 -12.192 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.516 5.370 -12.189 1.00 0.00 C ATOM 1004 CE LYS A 63 -3.730 4.448 -11.971 1.00 0.00 C ATOM 1005 NZ LYS A 63 -5.015 5.178 -12.075 1.00 0.00 N ATOM 0 H LYS A 63 -0.840 3.080 -8.405 1.00 0.00 H new ATOM 0 HA LYS A 63 0.848 4.855 -10.094 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.290 2.919 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.829 3.437 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.354 5.316 -12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.151 3.915 -13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.496 6.127 -11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.631 5.896 -13.137 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.710 3.645 -12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.658 3.982 -10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.803 4.517 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.047 5.928 -11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.098 5.602 -13.021 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.746 5.736 -8.283 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.529 6.914 -7.823 1.00 0.00 C ATOM 1021 C ASN A 64 -2.858 6.835 -6.317 1.00 0.00 C ATOM 1022 O ASN A 64 -2.517 5.858 -5.650 1.00 0.00 O ATOM 1023 CB ASN A 64 -3.813 7.107 -8.691 1.00 0.00 C ATOM 1024 CG ASN A 64 -5.012 6.217 -8.349 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.791 4.964 -8.009 1.00 0.00 O flip ATOM 1026 ND2 ASN A 64 -6.149 6.654 -8.440 1.00 0.00 N flip ATOM 0 H ASN A 64 -1.940 4.874 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.905 7.797 -7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.127 8.148 -8.609 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.548 6.936 -9.734 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.302 7.627 -8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.946 6.046 -8.251 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.520 7.893 -5.800 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.927 8.015 -4.374 1.00 0.00 C ATOM 1035 C VAL A 65 -4.966 6.935 -3.998 1.00 0.00 C ATOM 1036 O VAL A 65 -5.076 6.557 -2.832 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.506 9.450 -4.057 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.861 9.616 -2.552 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.526 10.554 -4.530 1.00 0.00 C ATOM 0 H VAL A 65 -3.792 8.698 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.031 7.866 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.436 9.558 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.255 10.617 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.612 8.877 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.965 9.470 -1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.945 11.534 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.572 10.438 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.371 10.467 -5.605 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.710 6.440 -5.002 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.618 5.306 -4.809 1.00 0.00 C ATOM 1051 C GLY A 66 -5.863 4.034 -4.444 1.00 0.00 C ATOM 1052 O GLY A 66 -6.302 3.267 -3.588 1.00 0.00 O ATOM 0 H GLY A 66 -5.698 6.810 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.333 5.543 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.191 5.140 -5.721 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.699 3.839 -5.093 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.783 2.728 -4.779 1.00 0.00 C ATOM 1058 C ASP A 67 -3.223 2.897 -3.364 1.00 0.00 C ATOM 1059 O ASP A 67 -3.155 1.927 -2.625 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.622 2.623 -5.805 1.00 0.00 C ATOM 1061 CG ASP A 67 -3.078 2.135 -7.191 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.621 1.014 -7.286 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.875 2.853 -8.193 1.00 0.00 O ATOM 0 H ASP A 67 -4.369 4.444 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.355 1.802 -4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.148 3.599 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.865 1.941 -5.418 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.845 4.142 -2.988 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.375 4.459 -1.613 1.00 0.00 C ATOM 1070 C LEU A 68 -3.486 4.221 -0.580 1.00 0.00 C ATOM 1071 O LEU A 68 -3.213 3.777 0.515 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.856 5.935 -1.483 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.370 6.208 -1.860 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.594 5.416 -0.955 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.118 5.936 -3.352 1.00 0.00 C ATOM 0 H LEU A 68 -2.856 4.945 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.541 3.786 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.484 6.569 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.006 6.255 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.169 7.265 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.623 5.629 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.441 5.709 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.400 4.349 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.928 6.135 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.348 4.894 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.755 6.586 -3.953 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.733 4.525 -0.941 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.880 4.401 -0.028 1.00 0.00 C ATOM 1089 C ALA A 69 -6.015 2.947 0.458 1.00 0.00 C ATOM 1090 O ALA A 69 -5.887 2.654 1.662 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.156 4.885 -0.734 1.00 0.00 C ATOM 0 H ALA A 69 -4.981 4.864 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.721 5.027 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.004 4.792 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.037 5.928 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.333 4.278 -1.622 1.00 0.00 H new ATOM 1097 N ASP A 70 -6.185 2.057 -0.523 1.00 0.00 N ATOM 1098 CA ASP A 70 -6.280 0.611 -0.306 1.00 0.00 C ATOM 1099 C ASP A 70 -5.006 0.063 0.369 1.00 0.00 C ATOM 1100 O ASP A 70 -5.097 -0.581 1.408 1.00 0.00 O ATOM 1101 CB ASP A 70 -6.559 -0.097 -1.658 1.00 0.00 C ATOM 1102 CG ASP A 70 -7.975 0.214 -2.191 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -8.248 1.378 -2.552 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -8.842 -0.690 -2.204 1.00 0.00 O ATOM 0 H ASP A 70 -6.262 2.324 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 70 -7.109 0.407 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.818 0.218 -2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.447 -1.174 -1.534 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.827 0.419 -0.183 1.00 0.00 N ATOM 1110 CA LEU A 71 -2.509 -0.171 0.199 1.00 0.00 C ATOM 1111 C LEU A 71 -2.084 0.226 1.631 1.00 0.00 C ATOM 1112 O LEU A 71 -1.657 -0.636 2.404 1.00 0.00 O ATOM 1113 CB LEU A 71 -1.429 0.212 -0.867 1.00 0.00 C ATOM 1114 CG LEU A 71 0.055 -0.306 -0.705 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.901 0.643 0.151 1.00 0.00 C ATOM 1116 CD2 LEU A 71 0.122 -1.753 -0.171 1.00 0.00 C ATOM 0 H LEU A 71 -3.753 1.128 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.609 -1.256 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.790 -0.135 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.390 1.300 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 71 0.484 -0.318 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.914 0.250 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.932 1.626 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.459 0.729 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.164 -2.059 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.359 -1.803 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.392 -2.420 -0.863 1.00 0.00 H new ATOM 1128 N VAL A 72 -2.166 1.532 1.965 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.878 2.035 3.334 1.00 0.00 C ATOM 1130 C VAL A 72 -2.787 1.328 4.353 1.00 0.00 C ATOM 1131 O VAL A 72 -2.324 0.932 5.418 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.031 3.609 3.455 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -1.868 4.095 4.925 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.018 4.341 2.527 1.00 0.00 C ATOM 0 H VAL A 72 -2.430 2.263 1.305 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.835 1.805 3.549 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.042 3.858 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.980 5.179 4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.630 3.629 5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.880 3.819 5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.144 5.419 2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.002 4.066 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.198 4.051 1.492 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.061 1.114 3.974 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.048 0.435 4.844 1.00 0.00 C ATOM 1146 C ASP A 73 -4.792 -1.097 4.915 1.00 0.00 C ATOM 1147 O ASP A 73 -5.183 -1.753 5.882 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.476 0.737 4.359 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.566 0.264 5.340 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -7.713 0.872 6.424 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -8.301 -0.701 5.027 1.00 0.00 O ATOM 0 H ASP A 73 -4.435 1.401 3.069 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.933 0.825 5.855 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.579 1.811 4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.633 0.257 3.393 1.00 0.00 H new ATOM 1156 N LYS A 74 -4.134 -1.650 3.879 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.634 -3.051 3.909 1.00 0.00 C ATOM 1158 C LYS A 74 -2.473 -3.162 4.912 1.00 0.00 C ATOM 1159 O LYS A 74 -2.281 -4.201 5.546 1.00 0.00 O ATOM 1160 CB LYS A 74 -3.193 -3.563 2.511 1.00 0.00 C ATOM 1161 CG LYS A 74 -4.304 -3.565 1.437 1.00 0.00 C ATOM 1162 CD LYS A 74 -5.599 -4.289 1.890 1.00 0.00 C ATOM 1163 CE LYS A 74 -6.732 -4.173 0.857 1.00 0.00 C ATOM 1164 NZ LYS A 74 -6.385 -4.788 -0.452 1.00 0.00 N ATOM 0 H LYS A 74 -3.933 -1.155 3.010 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.461 -3.686 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.368 -2.945 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.809 -4.577 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.546 -2.535 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.925 -4.045 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.380 -5.342 2.067 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.933 -3.869 2.839 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.628 -4.652 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.973 -3.121 0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.190 -4.696 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.557 -4.304 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.165 -5.795 -0.315 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.721 -2.062 5.055 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.633 -1.952 6.037 1.00 0.00 C ATOM 1180 C LYS A 75 -1.174 -1.588 7.427 1.00 0.00 C ATOM 1181 O LYS A 75 -0.515 -1.848 8.431 1.00 0.00 O ATOM 1182 CB LYS A 75 0.416 -0.930 5.559 1.00 0.00 C ATOM 1183 CG LYS A 75 1.095 -1.330 4.238 1.00 0.00 C ATOM 1184 CD LYS A 75 2.228 -0.375 3.821 1.00 0.00 C ATOM 1185 CE LYS A 75 2.959 -0.885 2.576 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.476 -2.261 2.775 1.00 0.00 N ATOM 0 H LYS A 75 -1.850 -1.221 4.492 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.148 -2.924 6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.063 0.041 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.177 -0.813 6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.497 -2.339 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.346 -1.360 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.817 0.615 3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.936 -0.268 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.281 -0.870 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.786 -0.215 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.292 -2.828 1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.500 -2.225 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.998 -2.697 3.590 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.374 -0.990 7.470 1.00 0.00 N ATOM 1201 CA LEU A 76 -3.116 -0.781 8.727 1.00 0.00 C ATOM 1202 C LEU A 76 -3.722 -2.122 9.181 1.00 0.00 C ATOM 1203 O LEU A 76 -3.912 -2.360 10.375 1.00 0.00 O ATOM 1204 CB LEU A 76 -4.206 0.309 8.551 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.692 1.733 8.162 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.862 2.722 7.933 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.674 2.265 9.198 1.00 0.00 C ATOM 0 H LEU A 76 -2.856 -0.639 6.642 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.434 -0.424 9.499 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.906 -0.025 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.767 0.388 9.482 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.166 1.645 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.464 3.701 7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.496 2.355 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.450 2.808 8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.335 3.257 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.149 2.323 10.178 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.820 1.590 9.248 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.999 -3.005 8.199 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.380 -4.405 8.457 1.00 0.00 C ATOM 1221 C ALA A 77 -3.165 -5.195 8.980 1.00 0.00 C ATOM 1222 O ALA A 77 -3.322 -6.157 9.741 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.971 -5.052 7.194 1.00 0.00 C ATOM 0 H ALA A 77 -3.964 -2.766 7.208 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.154 -4.424 9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.245 -6.085 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.857 -4.499 6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.231 -5.032 6.394 1.00 0.00 H new ATOM 1229 N ARG A 78 -1.949 -4.768 8.558 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.675 -5.274 9.113 1.00 0.00 C ATOM 1231 C ARG A 78 -0.436 -4.723 10.528 1.00 0.00 C ATOM 1232 O ARG A 78 0.270 -5.349 11.317 1.00 0.00 O ATOM 1233 CB ARG A 78 0.532 -4.903 8.204 1.00 0.00 C ATOM 1234 CG ARG A 78 0.437 -5.452 6.767 1.00 0.00 C ATOM 1235 CD ARG A 78 0.387 -6.982 6.716 1.00 0.00 C ATOM 1236 NE ARG A 78 0.151 -7.469 5.351 1.00 0.00 N ATOM 1237 CZ ARG A 78 0.230 -8.742 4.955 1.00 0.00 C ATOM 1238 NH1 ARG A 78 0.578 -9.706 5.800 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -0.054 -9.044 3.704 1.00 0.00 N ATOM 0 H ARG A 78 -1.827 -4.067 7.827 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.756 -6.360 9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.619 -3.817 8.161 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.447 -5.278 8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.455 -5.048 6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.295 -5.102 6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.325 -7.390 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.404 -7.343 7.374 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.094 -6.775 4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.791 -9.480 6.772 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.632 -10.672 5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.330 -8.310 3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.002 -10.012 3.388 1.00 0.00 H new ATOM 1253 N LYS A 79 -1.011 -3.538 10.840 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.908 -2.927 12.187 1.00 0.00 C ATOM 1255 C LYS A 79 -1.727 -3.690 13.241 1.00 0.00 C ATOM 1256 O LYS A 79 -1.599 -3.404 14.433 1.00 0.00 O ATOM 1257 CB LYS A 79 -1.289 -1.423 12.169 1.00 0.00 C ATOM 1258 CG LYS A 79 -0.302 -0.521 11.402 1.00 0.00 C ATOM 1259 CD LYS A 79 1.178 -0.609 11.894 1.00 0.00 C ATOM 1260 CE LYS A 79 1.426 -0.038 13.308 1.00 0.00 C ATOM 1261 NZ LYS A 79 0.884 -0.892 14.395 1.00 0.00 N ATOM 0 H LYS A 79 -1.552 -2.985 10.176 1.00 0.00 H new ATOM 0 HA LYS A 79 0.140 -3.002 12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.278 -1.317 11.724 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.362 -1.068 13.197 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.336 -0.785 10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.637 0.513 11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.489 -1.653 11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.814 -0.077 11.186 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.498 0.089 13.457 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.975 0.952 13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.540 -0.884 15.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.041 -0.525 14.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.773 -1.866 14.048 1.00 0.00 H new ATOM 1275 N LEU A 80 -2.576 -4.646 12.808 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.131 -5.669 13.719 1.00 0.00 C ATOM 1277 C LEU A 80 -1.961 -6.516 14.233 1.00 0.00 C ATOM 1278 O LEU A 80 -1.067 -6.860 13.444 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.211 -6.559 13.022 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.652 -5.954 12.897 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -6.263 -5.660 14.284 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -5.685 -4.709 11.988 1.00 0.00 C ATOM 0 H LEU A 80 -2.890 -4.731 11.841 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.642 -5.179 14.548 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.856 -6.802 12.020 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.283 -7.498 13.571 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.272 -6.711 12.417 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.262 -5.242 14.160 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.325 -6.585 14.858 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.634 -4.946 14.815 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.704 -4.326 11.932 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.030 -3.941 12.399 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.344 -4.979 10.989 1.00 0.00 H new ATOM 1294 N GLU A 81 -1.966 -6.827 15.541 1.00 0.00 N ATOM 1295 CA GLU A 81 -0.800 -7.414 16.235 1.00 0.00 C ATOM 1296 C GLU A 81 -0.348 -8.730 15.559 1.00 0.00 C ATOM 1297 O GLU A 81 -1.179 -9.513 15.072 1.00 0.00 O ATOM 1298 CB GLU A 81 -1.095 -7.634 17.766 1.00 0.00 C ATOM 1299 CG GLU A 81 0.010 -7.136 18.736 1.00 0.00 C ATOM 1300 CD GLU A 81 1.417 -7.651 18.385 1.00 0.00 C ATOM 1301 OE1 GLU A 81 1.666 -8.867 18.530 1.00 0.00 O ATOM 1302 OE2 GLU A 81 2.273 -6.854 17.929 1.00 0.00 O ATOM 0 H GLU A 81 -2.773 -6.680 16.147 1.00 0.00 H new ATOM 0 HA GLU A 81 0.021 -6.702 16.156 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.028 -7.128 18.015 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.253 -8.699 17.939 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.020 -6.046 18.733 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.240 -7.449 19.750 1.00 0.00 H new ATOM 1309 N HIS A 82 0.982 -8.933 15.547 1.00 0.00 N ATOM 1310 CA HIS A 82 1.647 -10.073 14.894 1.00 0.00 C ATOM 1311 C HIS A 82 1.142 -11.415 15.455 1.00 0.00 C ATOM 1312 O HIS A 82 1.065 -12.406 14.719 1.00 0.00 O ATOM 1313 CB HIS A 82 3.184 -9.956 15.052 1.00 0.00 C ATOM 1314 CG HIS A 82 3.769 -8.699 14.453 1.00 0.00 C ATOM 1315 ND1 HIS A 82 4.365 -8.662 13.210 1.00 0.00 N ATOM 1316 CD2 HIS A 82 3.817 -7.427 14.918 1.00 0.00 C ATOM 1317 CE1 HIS A 82 4.750 -7.431 12.941 1.00 0.00 C ATOM 1318 NE2 HIS A 82 4.431 -6.659 13.962 1.00 0.00 N ATOM 0 H HIS A 82 1.637 -8.296 16.000 1.00 0.00 H new ATOM 0 HA HIS A 82 1.399 -10.047 13.833 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.434 -9.991 16.112 1.00 0.00 H new ATOM 0 HB3 HIS A 82 3.654 -10.822 14.585 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.440 -7.081 15.869 1.00 0.00 H new ATOM 0 HE1 HIS A 82 5.244 -7.108 12.036 1.00 0.00 H new ATOM 0 HE2 HIS A 82 4.611 -5.657 14.029 1.00 0.00 H new ATOM 1327 N HIS A 83 0.794 -11.416 16.762 1.00 0.00 N ATOM 1328 CA HIS A 83 0.159 -12.574 17.434 1.00 0.00 C ATOM 1329 C HIS A 83 -0.417 -12.196 18.819 1.00 0.00 C ATOM 1330 O HIS A 83 -1.366 -12.833 19.282 1.00 0.00 O ATOM 1331 CB HIS A 83 1.133 -13.783 17.552 1.00 0.00 C ATOM 1332 CG HIS A 83 2.458 -13.502 18.214 1.00 0.00 C ATOM 1333 ND1 HIS A 83 3.626 -13.345 17.501 1.00 0.00 N ATOM 1334 CD2 HIS A 83 2.802 -13.388 19.517 1.00 0.00 C ATOM 1335 CE1 HIS A 83 4.626 -13.155 18.335 1.00 0.00 C ATOM 1336 NE2 HIS A 83 4.155 -13.174 19.564 1.00 0.00 N ATOM 0 H HIS A 83 0.944 -10.618 17.379 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.674 -12.879 16.801 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.632 -14.575 18.109 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.324 -14.169 16.551 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.134 -13.453 20.363 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.659 -13.008 18.058 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.707 -13.050 20.413 1.00 0.00 H new ATOM 1345 N HIS A 84 0.186 -11.172 19.464 1.00 0.00 N ATOM 1346 CA HIS A 84 -0.180 -10.675 20.818 1.00 0.00 C ATOM 1347 C HIS A 84 0.239 -11.694 21.906 1.00 0.00 C ATOM 1348 O HIS A 84 1.219 -11.470 22.624 1.00 0.00 O ATOM 1349 CB HIS A 84 -1.691 -10.286 20.922 1.00 0.00 C ATOM 1350 CG HIS A 84 -2.095 -9.607 22.215 1.00 0.00 C ATOM 1351 ND1 HIS A 84 -2.168 -8.235 22.354 1.00 0.00 N ATOM 1352 CD2 HIS A 84 -2.478 -10.116 23.417 1.00 0.00 C ATOM 1353 CE1 HIS A 84 -2.571 -7.936 23.574 1.00 0.00 C ATOM 1354 NE2 HIS A 84 -2.766 -9.053 24.238 1.00 0.00 N ATOM 0 H HIS A 84 0.960 -10.653 19.051 1.00 0.00 H new ATOM 0 HA HIS A 84 0.377 -9.754 20.992 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.938 -9.625 20.091 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.291 -11.188 20.801 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.544 -11.162 23.678 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.716 -6.939 23.962 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -3.080 -9.120 25.206 1.00 0.00 H new ATOM 1363 N HIS A 85 -0.501 -12.818 22.011 1.00 0.00 N ATOM 1364 CA HIS A 85 -0.170 -13.923 22.935 1.00 0.00 C ATOM 1365 C HIS A 85 0.924 -14.801 22.300 1.00 0.00 C ATOM 1366 O HIS A 85 0.741 -15.324 21.191 1.00 0.00 O ATOM 1367 CB HIS A 85 -1.438 -14.757 23.258 1.00 0.00 C ATOM 1368 CG HIS A 85 -1.241 -15.860 24.268 1.00 0.00 C ATOM 1369 ND1 HIS A 85 -1.497 -15.702 25.612 1.00 0.00 N ATOM 1370 CD2 HIS A 85 -0.816 -17.140 24.126 1.00 0.00 C ATOM 1371 CE1 HIS A 85 -1.246 -16.828 26.247 1.00 0.00 C ATOM 1372 NE2 HIS A 85 -0.828 -17.717 25.367 1.00 0.00 N ATOM 0 H HIS A 85 -1.342 -12.985 21.459 1.00 0.00 H new ATOM 0 HA HIS A 85 0.204 -13.515 23.874 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -2.212 -14.084 23.625 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.810 -15.196 22.332 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.522 -17.617 23.203 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.363 -16.995 27.308 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -0.558 -18.678 25.577 1.00 0.00 H new ATOM 1381 N HIS A 86 2.048 -14.943 23.016 1.00 0.00 N ATOM 1382 CA HIS A 86 3.227 -15.701 22.557 1.00 0.00 C ATOM 1383 C HIS A 86 2.937 -17.218 22.493 1.00 0.00 C ATOM 1384 O HIS A 86 2.239 -17.767 23.354 1.00 0.00 O ATOM 1385 CB HIS A 86 4.440 -15.418 23.496 1.00 0.00 C ATOM 1386 CG HIS A 86 5.667 -16.253 23.212 1.00 0.00 C ATOM 1387 ND1 HIS A 86 6.124 -17.230 24.069 1.00 0.00 N ATOM 1388 CD2 HIS A 86 6.524 -16.254 22.159 1.00 0.00 C ATOM 1389 CE1 HIS A 86 7.193 -17.799 23.555 1.00 0.00 C ATOM 1390 NE2 HIS A 86 7.455 -17.227 22.402 1.00 0.00 N ATOM 0 H HIS A 86 2.168 -14.531 23.941 1.00 0.00 H new ATOM 0 HA HIS A 86 3.469 -15.370 21.547 1.00 0.00 H new ATOM 0 HB2 HIS A 86 4.707 -14.364 23.414 1.00 0.00 H new ATOM 0 HB3 HIS A 86 4.131 -15.589 24.527 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.479 -15.609 21.294 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.759 -18.601 24.005 1.00 0.00 H new ATOM 0 HE2 HIS A 86 8.230 -17.470 21.785 1.00 0.00 H new ATOM 1399 N HIS A 87 3.475 -17.866 21.448 1.00 0.00 N ATOM 1400 CA HIS A 87 3.497 -19.327 21.285 1.00 0.00 C ATOM 1401 C HIS A 87 4.920 -19.718 20.835 1.00 0.00 C ATOM 1402 O HIS A 87 5.255 -19.492 19.646 1.00 0.00 O ATOM 1403 CB HIS A 87 2.435 -19.808 20.251 1.00 0.00 C ATOM 1404 CG HIS A 87 1.015 -19.549 20.658 1.00 0.00 C ATOM 1405 ND1 HIS A 87 0.185 -18.689 19.976 1.00 0.00 N ATOM 1406 CD2 HIS A 87 0.279 -20.053 21.671 1.00 0.00 C ATOM 1407 CE1 HIS A 87 -1.000 -18.672 20.553 1.00 0.00 C ATOM 1408 NE2 HIS A 87 -0.969 -19.490 21.588 1.00 0.00 N ATOM 1409 OXT HIS A 87 5.716 -20.197 21.670 1.00 0.00 O ATOM 0 H HIS A 87 3.919 -17.374 20.672 1.00 0.00 H new ATOM 0 HA HIS A 87 3.244 -19.810 22.229 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.623 -19.314 19.298 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.564 -20.878 20.086 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.611 -20.767 22.410 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.851 -18.088 20.233 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -1.746 -19.674 22.223 1.00 0.00 H new TER 1418 HIS A 87 HETATM 1419 P24 PNS A 88 9.305 13.080 -10.306 1.00 0.00 P HETATM 1420 O25 PNS A 88 10.627 12.475 -10.607 1.00 0.00 O HETATM 1421 O26 PNS A 88 9.047 14.542 -10.248 1.00 0.00 O HETATM 1422 O27 PNS A 88 8.183 12.084 -9.728 1.00 0.00 O HETATM 1423 C28 PNS A 88 6.799 12.358 -9.906 1.00 0.00 C HETATM 1424 C29 PNS A 88 5.934 11.054 -9.985 1.00 0.00 C HETATM 1425 C30 PNS A 88 4.497 11.451 -10.339 1.00 0.00 C HETATM 1426 C31 PNS A 88 5.881 10.375 -8.587 1.00 0.00 C HETATM 1427 C32 PNS A 88 6.505 10.088 -11.130 1.00 0.00 C HETATM 1428 O33 PNS A 88 7.630 9.340 -10.646 1.00 0.00 O HETATM 1429 C34 PNS A 88 5.451 9.083 -11.665 1.00 0.00 C HETATM 1430 O35 PNS A 88 5.091 9.123 -12.854 1.00 0.00 O HETATM 1431 N36 PNS A 88 4.983 8.185 -10.794 1.00 0.00 N HETATM 1432 C37 PNS A 88 3.975 7.165 -11.147 1.00 0.00 C HETATM 1433 C38 PNS A 88 3.576 6.341 -9.924 1.00 0.00 C HETATM 1434 C39 PNS A 88 3.168 7.205 -8.732 1.00 0.00 C HETATM 1435 O40 PNS A 88 3.937 7.354 -7.784 1.00 0.00 O HETATM 1436 N41 PNS A 88 1.995 7.854 -8.831 1.00 0.00 N HETATM 1437 C42 PNS A 88 1.456 8.719 -7.760 1.00 0.00 C HETATM 1438 C43 PNS A 88 0.726 7.919 -6.673 1.00 0.00 C HETATM 1439 S44 PNS A 88 1.753 6.676 -5.852 1.00 0.00 S HETATM 0 H432 PNS A 88 0.344 8.611 -5.923 1.00 0.00 H new HETATM 0 H431 PNS A 88 -0.137 7.424 -7.119 1.00 0.00 H new HETATM 0 H422 PNS A 88 0.770 9.446 -8.195 1.00 0.00 H new HETATM 0 H421 PNS A 88 2.272 9.282 -7.307 1.00 0.00 H new HETATM 0 H382 PNS A 88 4.410 5.702 -9.635 1.00 0.00 H new HETATM 0 H381 PNS A 88 2.748 5.683 -10.190 1.00 0.00 H new HETATM 0 H372 PNS A 88 4.374 6.507 -11.919 1.00 0.00 H new HETATM 0 H371 PNS A 88 3.093 7.650 -11.566 1.00 0.00 H new HETATM 0 H313 PNS A 88 5.279 9.468 -8.645 1.00 0.00 H new HETATM 0 H312 PNS A 88 5.436 11.061 -7.866 1.00 0.00 H new HETATM 0 H311 PNS A 88 6.891 10.119 -8.268 1.00 0.00 H new HETATM 0 H303 PNS A 88 3.877 10.557 -10.399 1.00 0.00 H new HETATM 0 H302 PNS A 88 4.488 11.964 -11.301 1.00 0.00 H new HETATM 0 H301 PNS A 88 4.103 12.115 -9.570 1.00 0.00 H new HETATM 0 H282 PNS A 88 6.661 12.937 -10.819 1.00 0.00 H new HETATM 0 H281 PNS A 88 6.445 12.975 -9.080 1.00 0.00 H new HETATM 0 H44 PNS A 88 2.924 6.640 -6.415 1.00 0.00 H new HETATM 0 H41 PNS A 88 1.450 7.744 -9.686 1.00 0.00 H new HETATM 0 H36 PNS A 88 5.339 8.205 -9.838 1.00 0.00 H new HETATM 0 H33 PNS A 88 8.239 9.939 -10.166 1.00 0.00 H new HETATM 0 H32 PNS A 88 6.797 10.745 -11.949 1.00 0.00 H new