USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 811 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HD1:sc=-0.00209 X(o=-0.0021,f=0.11) USER MOD Set 2.1: A 29 MET CE :methyl -166:sc= -1.62 (180deg=-1.86!) USER MOD Set 2.2: A 70 SER OG : rot 105:sc= 1.26 USER MOD Set 3.1: A 22 THR OG1 : rot 108:sc= 0.38 USER MOD Set 3.2: A 26 MET CE :methyl -108:sc= -0.793 (180deg=-2.23) USER MOD Set 4.1: A 21 LYS NZ :NH3+ -132:sc= 0.0456 (180deg=0) USER MOD Set 4.2: A 80 TYR OH : rot 30:sc= 0.0367 USER MOD Single : A 1 MET CE :methyl -137:sc= -8.96! (180deg=-10.6!) USER MOD Single : A 4 LYS NZ :NH3+ -133:sc= -0.0811 (180deg=-0.382) USER MOD Single : A 7 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.24) USER MOD Single : A 8 CYS SG : rot 83:sc= 0.126 USER MOD Single : A -1 SER OG : rot -55:sc= 0.545 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -2.39! K(o=-2.4!,f=-0.12) USER MOD Single : A 12 HIS : no HE2:sc= 0.949 K(o=0.95,f=-5.8!) USER MOD Single : A 18 LYS NZ :NH3+ -111:sc= -0.0814 (180deg=-2.24!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 31 SER OG : rot 87:sc= 0.0186 USER MOD Single : A 36 THR OG1 : rot -80:sc= 1.27 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 169:sc= -0.0423 (180deg=-0.228) USER MOD Single : A 45 ASN : amide:sc= -2.27! K(o=-2.3!,f=-0.22) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 1.52 K(o=1.5,f=-1.2!) USER MOD Single : A 50 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.19) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.00089) USER MOD Single : A 55 MET CE :methyl -151:sc= 0 (180deg=-0.112) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.0346 (180deg=-0.313) USER MOD Single : A 59 MET CE :methyl -170:sc= -10.5! (180deg=-11.1!) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0396 (180deg=-0.332) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 0.881 (180deg=0.783) USER MOD Single : A 65 ASN : amide:sc= -0.245 K(o=-0.24,f=-0.99) USER MOD Single : A 67 SER OG : rot -117:sc= -0.678 USER MOD Single : A 68 TYR OH : rot -151:sc= -1.98! USER MOD Single : A 73 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.1) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 47:sc= -0.0034 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 11.707 -15.539 -7.968 1.00 0.00 N ATOM 2 CA GLY A -5 10.865 -15.907 -6.802 1.00 0.00 C ATOM 3 C GLY A -5 9.532 -16.487 -7.228 1.00 0.00 C ATOM 4 O GLY A -5 9.475 -17.599 -7.754 1.00 0.00 O ATOM 0 H1 GLY A -5 12.610 -15.146 -7.634 1.00 0.00 H new ATOM 0 H2 GLY A -5 11.890 -16.385 -8.545 1.00 0.00 H new ATOM 0 H3 GLY A -5 11.212 -14.828 -8.543 1.00 0.00 H new ATOM 0 HA2 GLY A -5 11.396 -16.632 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A -5 10.696 -15.025 -6.183 1.00 0.00 H new ATOM 10 N PRO A -4 8.431 -15.748 -7.027 1.00 0.00 N ATOM 11 CA PRO A -4 7.094 -16.202 -7.415 1.00 0.00 C ATOM 12 C PRO A -4 6.861 -16.090 -8.923 1.00 0.00 C ATOM 13 O PRO A -4 7.746 -15.664 -9.670 1.00 0.00 O ATOM 14 CB PRO A -4 6.176 -15.254 -6.651 1.00 0.00 C ATOM 15 CG PRO A -4 6.957 -13.992 -6.517 1.00 0.00 C ATOM 16 CD PRO A -4 8.403 -14.401 -6.412 1.00 0.00 C ATOM 0 HA PRO A -4 6.928 -17.254 -7.185 1.00 0.00 H new ATOM 0 HB2 PRO A -4 5.244 -15.087 -7.190 1.00 0.00 H new ATOM 0 HB3 PRO A -4 5.911 -15.661 -5.675 1.00 0.00 H new ATOM 0 HG2 PRO A -4 6.798 -13.343 -7.378 1.00 0.00 H new ATOM 0 HG3 PRO A -4 6.645 -13.433 -5.634 1.00 0.00 H new ATOM 0 HD2 PRO A -4 9.055 -13.706 -6.940 1.00 0.00 H new ATOM 0 HD3 PRO A -4 8.738 -14.427 -5.375 1.00 0.00 H new ATOM 24 N LEU A -3 5.672 -16.469 -9.364 1.00 0.00 N ATOM 25 CA LEU A -3 5.326 -16.405 -10.770 1.00 0.00 C ATOM 26 C LEU A -3 4.304 -15.290 -10.999 1.00 0.00 C ATOM 27 O LEU A -3 3.155 -15.378 -10.561 1.00 0.00 O ATOM 28 CB LEU A -3 4.774 -17.766 -11.240 1.00 0.00 C ATOM 29 CG LEU A -3 4.705 -17.990 -12.764 1.00 0.00 C ATOM 30 CD1 LEU A -3 3.559 -17.216 -13.395 1.00 0.00 C ATOM 31 CD2 LEU A -3 6.015 -17.604 -13.419 1.00 0.00 C ATOM 0 H LEU A -3 4.929 -16.825 -8.763 1.00 0.00 H new ATOM 0 HA LEU A -3 6.218 -16.181 -11.354 1.00 0.00 H new ATOM 0 HB2 LEU A -3 5.392 -18.553 -10.807 1.00 0.00 H new ATOM 0 HB3 LEU A -3 3.771 -17.887 -10.831 1.00 0.00 H new ATOM 0 HG LEU A -3 4.523 -19.052 -12.928 1.00 0.00 H new ATOM 0 HD11 LEU A -3 3.544 -17.400 -14.469 1.00 0.00 H new ATOM 0 HD12 LEU A -3 2.615 -17.542 -12.958 1.00 0.00 H new ATOM 0 HD13 LEU A -3 3.695 -16.150 -13.211 1.00 0.00 H new ATOM 0 HD21 LEU A -3 5.947 -17.769 -14.494 1.00 0.00 H new ATOM 0 HD22 LEU A -3 6.222 -16.551 -13.226 1.00 0.00 H new ATOM 0 HD23 LEU A -3 6.820 -18.213 -13.009 1.00 0.00 H new ATOM 43 N GLY A -2 4.735 -14.242 -11.678 1.00 0.00 N ATOM 44 CA GLY A -2 3.856 -13.123 -11.954 1.00 0.00 C ATOM 45 C GLY A -2 3.888 -12.063 -10.872 1.00 0.00 C ATOM 46 O GLY A -2 3.050 -12.067 -9.971 1.00 0.00 O ATOM 0 H GLY A -2 5.681 -14.143 -12.046 1.00 0.00 H new ATOM 0 HA2 GLY A -2 4.139 -12.672 -12.905 1.00 0.00 H new ATOM 0 HA3 GLY A -2 2.835 -13.489 -12.066 1.00 0.00 H new ATOM 50 N SER A -1 4.845 -11.155 -10.972 1.00 0.00 N ATOM 51 CA SER A -1 4.986 -10.075 -10.011 1.00 0.00 C ATOM 52 C SER A -1 4.975 -8.731 -10.731 1.00 0.00 C ATOM 53 O SER A -1 4.759 -8.673 -11.942 1.00 0.00 O ATOM 54 CB SER A -1 6.276 -10.244 -9.200 1.00 0.00 C ATOM 55 OG SER A -1 6.168 -11.326 -8.287 1.00 0.00 O ATOM 0 H SER A -1 5.542 -11.146 -11.717 1.00 0.00 H new ATOM 0 HA SER A -1 4.144 -10.107 -9.320 1.00 0.00 H new ATOM 0 HB2 SER A -1 7.114 -10.416 -9.876 1.00 0.00 H new ATOM 0 HB3 SER A -1 6.490 -9.324 -8.655 1.00 0.00 H new ATOM 0 HG SER A -1 5.378 -11.199 -7.722 1.00 0.00 H new ATOM 61 N MET A 1 5.200 -7.653 -9.990 1.00 0.00 N ATOM 62 CA MET A 1 5.207 -6.322 -10.570 1.00 0.00 C ATOM 63 C MET A 1 6.336 -6.184 -11.572 1.00 0.00 C ATOM 64 O MET A 1 7.493 -6.469 -11.269 1.00 0.00 O ATOM 65 CB MET A 1 5.336 -5.269 -9.477 1.00 0.00 C ATOM 66 CG MET A 1 4.958 -3.872 -9.935 1.00 0.00 C ATOM 67 SD MET A 1 5.058 -2.656 -8.610 1.00 0.00 S ATOM 68 CE MET A 1 4.060 -3.441 -7.356 1.00 0.00 C ATOM 0 H MET A 1 5.380 -7.678 -8.986 1.00 0.00 H new ATOM 0 HA MET A 1 4.263 -6.168 -11.092 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.703 -5.551 -8.636 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.363 -5.258 -9.113 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.616 -3.571 -10.750 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.944 -3.887 -10.334 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.410 -2.699 -6.891 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.451 -4.222 -7.812 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.708 -3.882 -6.598 1.00 0.00 H new ATOM 78 N ASP A 2 5.976 -5.768 -12.768 1.00 0.00 N ATOM 79 CA ASP A 2 6.936 -5.606 -13.854 1.00 0.00 C ATOM 80 C ASP A 2 7.932 -4.490 -13.588 1.00 0.00 C ATOM 81 O ASP A 2 7.595 -3.471 -13.000 1.00 0.00 O ATOM 82 CB ASP A 2 6.204 -5.366 -15.176 1.00 0.00 C ATOM 83 CG ASP A 2 7.121 -4.884 -16.275 1.00 0.00 C ATOM 84 OD1 ASP A 2 8.086 -5.601 -16.618 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.879 -3.783 -16.798 1.00 0.00 O ATOM 0 H ASP A 2 5.016 -5.532 -13.020 1.00 0.00 H new ATOM 0 HA ASP A 2 7.507 -6.532 -13.920 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.721 -6.291 -15.492 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.414 -4.631 -15.020 1.00 0.00 H new ATOM 90 N ALA A 3 9.161 -4.713 -14.033 1.00 0.00 N ATOM 91 CA ALA A 3 10.245 -3.755 -13.861 1.00 0.00 C ATOM 92 C ALA A 3 9.953 -2.426 -14.545 1.00 0.00 C ATOM 93 O ALA A 3 10.274 -1.381 -14.003 1.00 0.00 O ATOM 94 CB ALA A 3 11.552 -4.336 -14.373 1.00 0.00 C ATOM 0 H ALA A 3 9.435 -5.564 -14.524 1.00 0.00 H new ATOM 0 HA ALA A 3 10.334 -3.557 -12.793 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.352 -3.608 -14.237 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.789 -5.243 -13.817 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.454 -4.574 -15.432 1.00 0.00 H new ATOM 100 N LYS A 4 9.325 -2.455 -15.720 1.00 0.00 N ATOM 101 CA LYS A 4 9.001 -1.211 -16.417 1.00 0.00 C ATOM 102 C LYS A 4 7.982 -0.421 -15.599 1.00 0.00 C ATOM 103 O LYS A 4 8.116 0.784 -15.428 1.00 0.00 O ATOM 104 CB LYS A 4 8.467 -1.462 -17.835 1.00 0.00 C ATOM 105 CG LYS A 4 9.520 -1.888 -18.850 1.00 0.00 C ATOM 106 CD LYS A 4 10.025 -3.294 -18.594 1.00 0.00 C ATOM 107 CE LYS A 4 10.972 -3.755 -19.692 1.00 0.00 C ATOM 108 NZ LYS A 4 10.325 -3.772 -21.033 1.00 0.00 N ATOM 0 H LYS A 4 9.036 -3.307 -16.201 1.00 0.00 H new ATOM 0 HA LYS A 4 9.921 -0.635 -16.520 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.697 -2.232 -17.787 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.985 -0.552 -18.193 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.099 -1.832 -19.854 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.357 -1.191 -18.817 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.537 -3.328 -17.632 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.180 -3.979 -18.530 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.840 -3.096 -19.719 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.338 -4.754 -19.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.540 -4.671 -21.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.295 -3.676 -20.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.688 -2.982 -21.603 1.00 0.00 H new ATOM 122 N ALA A 5 7.000 -1.126 -15.056 1.00 0.00 N ATOM 123 CA ALA A 5 5.986 -0.518 -14.202 1.00 0.00 C ATOM 124 C ALA A 5 6.648 -0.022 -12.920 1.00 0.00 C ATOM 125 O ALA A 5 6.516 1.138 -12.523 1.00 0.00 O ATOM 126 CB ALA A 5 4.947 -1.575 -13.883 1.00 0.00 C ATOM 0 H ALA A 5 6.882 -2.130 -15.193 1.00 0.00 H new ATOM 0 HA ALA A 5 5.511 0.327 -14.700 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.175 -1.146 -13.244 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.495 -1.932 -14.808 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.423 -2.409 -13.367 1.00 0.00 H new ATOM 132 N ARG A 6 7.385 -0.930 -12.308 1.00 0.00 N ATOM 133 CA ARG A 6 8.117 -0.673 -11.078 1.00 0.00 C ATOM 134 C ARG A 6 9.093 0.503 -11.208 1.00 0.00 C ATOM 135 O ARG A 6 9.300 1.262 -10.256 1.00 0.00 O ATOM 136 CB ARG A 6 8.874 -1.945 -10.703 1.00 0.00 C ATOM 137 CG ARG A 6 8.204 -2.750 -9.609 1.00 0.00 C ATOM 138 CD ARG A 6 8.630 -2.268 -8.233 1.00 0.00 C ATOM 139 NE ARG A 6 10.043 -2.553 -7.990 1.00 0.00 N ATOM 140 CZ ARG A 6 10.549 -3.784 -7.865 1.00 0.00 C ATOM 141 NH1 ARG A 6 9.739 -4.822 -7.724 1.00 0.00 N ATOM 142 NH2 ARG A 6 11.860 -3.977 -7.848 1.00 0.00 N ATOM 0 H ARG A 6 7.495 -1.883 -12.656 1.00 0.00 H new ATOM 0 HA ARG A 6 7.404 -0.397 -10.301 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.979 -2.570 -11.590 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.880 -1.677 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.121 -2.670 -9.706 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.457 -3.804 -9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.452 -1.196 -8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.021 -2.753 -7.470 1.00 0.00 H new ATOM 0 HE ARG A 6 10.683 -1.763 -7.911 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.729 -4.682 -7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.125 -5.761 -7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.494 -3.182 -7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.235 -4.921 -7.752 1.00 0.00 H new ATOM 156 N ASN A 7 9.690 0.640 -12.384 1.00 0.00 N ATOM 157 CA ASN A 7 10.655 1.695 -12.647 1.00 0.00 C ATOM 158 C ASN A 7 9.981 2.987 -13.045 1.00 0.00 C ATOM 159 O ASN A 7 10.278 4.013 -12.480 1.00 0.00 O ATOM 160 CB ASN A 7 11.670 1.270 -13.721 1.00 0.00 C ATOM 161 CG ASN A 7 12.837 0.490 -13.150 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.462 0.904 -12.175 1.00 0.00 O ATOM 163 ND2 ASN A 7 13.153 -0.633 -13.773 1.00 0.00 N ATOM 0 H ASN A 7 9.519 0.024 -13.179 1.00 0.00 H new ATOM 0 HA ASN A 7 11.192 1.870 -11.715 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.165 0.662 -14.471 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.046 2.157 -14.230 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.942 -1.192 -13.448 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.608 -0.940 -14.578 1.00 0.00 H new ATOM 170 N CYS A 8 9.060 2.955 -13.997 1.00 0.00 N ATOM 171 CA CYS A 8 8.360 4.175 -14.405 1.00 0.00 C ATOM 172 C CYS A 8 7.724 4.846 -13.197 1.00 0.00 C ATOM 173 O CYS A 8 7.476 6.053 -13.196 1.00 0.00 O ATOM 174 CB CYS A 8 7.306 3.859 -15.471 1.00 0.00 C ATOM 175 SG CYS A 8 8.000 3.425 -17.092 1.00 0.00 S ATOM 0 H CYS A 8 8.779 2.112 -14.499 1.00 0.00 H new ATOM 0 HA CYS A 8 9.084 4.864 -14.839 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.686 3.034 -15.120 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.652 4.723 -15.587 1.00 0.00 H new ATOM 0 HG CYS A 8 8.321 2.165 -17.103 1.00 0.00 H new ATOM 181 N LEU A 9 7.508 4.051 -12.161 1.00 0.00 N ATOM 182 CA LEU A 9 6.950 4.514 -10.924 1.00 0.00 C ATOM 183 C LEU A 9 8.002 5.228 -10.075 1.00 0.00 C ATOM 184 O LEU A 9 7.851 6.403 -9.762 1.00 0.00 O ATOM 185 CB LEU A 9 6.380 3.301 -10.183 1.00 0.00 C ATOM 186 CG LEU A 9 6.294 3.410 -8.662 1.00 0.00 C ATOM 187 CD1 LEU A 9 5.316 4.500 -8.237 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.890 2.071 -8.059 1.00 0.00 C ATOM 0 H LEU A 9 7.722 3.054 -12.167 1.00 0.00 H new ATOM 0 HA LEU A 9 6.161 5.239 -11.122 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.379 3.105 -10.568 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.992 2.433 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 9 7.281 3.684 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.279 4.551 -7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.646 5.460 -8.634 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.323 4.269 -8.624 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.833 2.163 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.917 1.775 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.631 1.316 -8.320 1.00 0.00 H new ATOM 200 N LEU A 10 9.052 4.506 -9.685 1.00 0.00 N ATOM 201 CA LEU A 10 10.093 5.080 -8.828 1.00 0.00 C ATOM 202 C LEU A 10 11.138 5.919 -9.587 1.00 0.00 C ATOM 203 O LEU A 10 11.698 6.863 -9.033 1.00 0.00 O ATOM 204 CB LEU A 10 10.779 3.958 -8.056 1.00 0.00 C ATOM 205 CG LEU A 10 10.026 3.464 -6.815 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.694 2.219 -6.245 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.954 4.566 -5.766 1.00 0.00 C ATOM 0 H LEU A 10 9.205 3.532 -9.945 1.00 0.00 H new ATOM 0 HA LEU A 10 9.596 5.773 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.930 3.114 -8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.767 4.301 -7.749 1.00 0.00 H new ATOM 0 HG LEU A 10 9.009 3.201 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.146 1.883 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.693 1.429 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.721 2.453 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.417 4.201 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.963 4.859 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.431 5.428 -6.179 1.00 0.00 H new ATOM 219 N GLN A 11 11.395 5.578 -10.842 1.00 0.00 N ATOM 220 CA GLN A 11 12.370 6.301 -11.672 1.00 0.00 C ATOM 221 C GLN A 11 11.950 7.754 -11.839 1.00 0.00 C ATOM 222 O GLN A 11 12.782 8.659 -11.879 1.00 0.00 O ATOM 223 CB GLN A 11 12.491 5.633 -13.043 1.00 0.00 C ATOM 224 CG GLN A 11 13.451 6.312 -14.009 1.00 0.00 C ATOM 225 CD GLN A 11 13.242 5.856 -15.438 1.00 0.00 C ATOM 226 OE1 GLN A 11 14.003 6.203 -16.340 1.00 0.00 O ATOM 227 NE2 GLN A 11 12.194 5.078 -15.657 1.00 0.00 N ATOM 0 H GLN A 11 10.941 4.799 -11.318 1.00 0.00 H new ATOM 0 HA GLN A 11 13.339 6.271 -11.174 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.813 4.601 -12.900 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.503 5.598 -13.501 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.318 7.392 -13.951 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.477 6.100 -13.708 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.586 4.812 -14.883 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.994 4.745 -16.600 1.00 0.00 H new ATOM 236 N HIS A 12 10.640 7.974 -11.894 1.00 0.00 N ATOM 237 CA HIS A 12 10.090 9.315 -12.008 1.00 0.00 C ATOM 238 C HIS A 12 9.960 9.935 -10.630 1.00 0.00 C ATOM 239 O HIS A 12 8.985 10.600 -10.323 1.00 0.00 O ATOM 240 CB HIS A 12 8.744 9.307 -12.735 1.00 0.00 C ATOM 241 CG HIS A 12 8.894 9.286 -14.220 1.00 0.00 C ATOM 242 ND1 HIS A 12 9.502 10.300 -14.917 1.00 0.00 N ATOM 243 CD2 HIS A 12 8.536 8.361 -15.138 1.00 0.00 C ATOM 244 CE1 HIS A 12 9.510 10.005 -16.200 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.931 8.830 -16.367 1.00 0.00 N ATOM 0 H HIS A 12 9.938 7.234 -11.861 1.00 0.00 H new ATOM 0 HA HIS A 12 10.774 9.919 -12.604 1.00 0.00 H new ATOM 0 HB2 HIS A 12 8.170 8.436 -12.419 1.00 0.00 H new ATOM 0 HB3 HIS A 12 8.173 10.188 -12.444 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.888 11.150 -14.505 1.00 0.00 H new ATOM 0 HD2 HIS A 12 8.032 7.426 -14.942 1.00 0.00 H new ATOM 0 HE1 HIS A 12 9.922 10.622 -16.985 1.00 0.00 H new ATOM 254 N ARG A 13 10.978 9.685 -9.823 1.00 0.00 N ATOM 255 CA ARG A 13 11.072 10.184 -8.452 1.00 0.00 C ATOM 256 C ARG A 13 10.911 11.707 -8.395 1.00 0.00 C ATOM 257 O ARG A 13 10.484 12.257 -7.380 1.00 0.00 O ATOM 258 CB ARG A 13 12.426 9.796 -7.854 1.00 0.00 C ATOM 259 CG ARG A 13 12.476 9.883 -6.337 1.00 0.00 C ATOM 260 CD ARG A 13 12.734 8.515 -5.731 1.00 0.00 C ATOM 261 NE ARG A 13 14.026 7.983 -6.152 1.00 0.00 N ATOM 262 CZ ARG A 13 14.409 6.726 -5.979 1.00 0.00 C ATOM 263 NH1 ARG A 13 13.623 5.865 -5.356 1.00 0.00 N ATOM 264 NH2 ARG A 13 15.599 6.340 -6.407 1.00 0.00 N ATOM 0 H ARG A 13 11.779 9.120 -10.103 1.00 0.00 H new ATOM 0 HA ARG A 13 10.264 9.733 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.668 8.778 -8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.196 10.445 -8.271 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.261 10.575 -6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.535 10.282 -5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.704 8.585 -4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.941 7.828 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 13 14.677 8.621 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.714 6.166 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.925 4.899 -5.227 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.217 7.008 -6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.899 5.374 -6.277 1.00 0.00 H new ATOM 278 N GLU A 14 11.237 12.378 -9.498 1.00 0.00 N ATOM 279 CA GLU A 14 11.101 13.823 -9.578 1.00 0.00 C ATOM 280 C GLU A 14 9.619 14.192 -9.542 1.00 0.00 C ATOM 281 O GLU A 14 9.239 15.308 -9.166 1.00 0.00 O ATOM 282 CB GLU A 14 11.762 14.375 -10.855 1.00 0.00 C ATOM 283 CG GLU A 14 11.034 14.053 -12.160 1.00 0.00 C ATOM 284 CD GLU A 14 11.252 12.635 -12.656 1.00 0.00 C ATOM 285 OE1 GLU A 14 11.964 11.860 -11.990 1.00 0.00 O ATOM 286 OE2 GLU A 14 10.713 12.291 -13.730 1.00 0.00 O ATOM 0 H GLU A 14 11.597 11.940 -10.346 1.00 0.00 H new ATOM 0 HA GLU A 14 11.610 14.271 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.845 15.458 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.777 13.982 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.966 14.217 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.364 14.751 -12.930 1.00 0.00 H new ATOM 293 N ALA A 15 8.781 13.231 -9.917 1.00 0.00 N ATOM 294 CA ALA A 15 7.345 13.422 -9.915 1.00 0.00 C ATOM 295 C ALA A 15 6.689 12.547 -8.843 1.00 0.00 C ATOM 296 O ALA A 15 5.575 12.836 -8.406 1.00 0.00 O ATOM 297 CB ALA A 15 6.765 13.118 -11.287 1.00 0.00 C ATOM 0 H ALA A 15 9.080 12.307 -10.228 1.00 0.00 H new ATOM 0 HA ALA A 15 7.135 14.465 -9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.685 13.267 -11.267 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.209 13.785 -12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.984 12.084 -11.554 1.00 0.00 H new ATOM 303 N LEU A 16 7.395 11.479 -8.441 1.00 0.00 N ATOM 304 CA LEU A 16 6.918 10.527 -7.421 1.00 0.00 C ATOM 305 C LEU A 16 6.318 11.264 -6.229 1.00 0.00 C ATOM 306 O LEU A 16 5.112 11.446 -6.163 1.00 0.00 O ATOM 307 CB LEU A 16 8.061 9.627 -6.942 1.00 0.00 C ATOM 308 CG LEU A 16 7.622 8.440 -6.083 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.657 7.159 -6.891 1.00 0.00 C ATOM 310 CD2 LEU A 16 8.496 8.309 -4.849 1.00 0.00 C ATOM 0 H LEU A 16 8.316 11.249 -8.814 1.00 0.00 H new ATOM 0 HA LEU A 16 6.147 9.909 -7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.597 9.249 -7.813 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.766 10.231 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 16 6.598 8.620 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.342 6.325 -6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.983 7.248 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.672 6.982 -7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.163 7.458 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.532 8.157 -5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.422 9.218 -4.252 1.00 0.00 H new ATOM 322 N GLU A 17 7.178 11.672 -5.301 1.00 0.00 N ATOM 323 CA GLU A 17 6.770 12.389 -4.087 1.00 0.00 C ATOM 324 C GLU A 17 5.773 13.530 -4.378 1.00 0.00 C ATOM 325 O GLU A 17 4.943 13.870 -3.537 1.00 0.00 O ATOM 326 CB GLU A 17 8.008 12.991 -3.413 1.00 0.00 C ATOM 327 CG GLU A 17 8.013 12.864 -1.900 1.00 0.00 C ATOM 328 CD GLU A 17 8.258 11.443 -1.440 1.00 0.00 C ATOM 329 OE1 GLU A 17 9.300 10.861 -1.824 1.00 0.00 O ATOM 330 OE2 GLU A 17 7.424 10.905 -0.685 1.00 0.00 O ATOM 0 H GLU A 17 8.184 11.516 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 17 6.276 11.665 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.898 12.504 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.076 14.046 -3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.783 13.515 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.058 13.211 -1.506 1.00 0.00 H new ATOM 337 N LYS A 18 5.891 14.126 -5.568 1.00 0.00 N ATOM 338 CA LYS A 18 5.033 15.244 -5.984 1.00 0.00 C ATOM 339 C LYS A 18 3.552 14.843 -6.016 1.00 0.00 C ATOM 340 O LYS A 18 2.703 15.535 -5.454 1.00 0.00 O ATOM 341 CB LYS A 18 5.483 15.769 -7.361 1.00 0.00 C ATOM 342 CG LYS A 18 4.752 17.021 -7.843 1.00 0.00 C ATOM 343 CD LYS A 18 3.552 16.692 -8.728 1.00 0.00 C ATOM 344 CE LYS A 18 3.969 16.007 -10.025 1.00 0.00 C ATOM 345 NZ LYS A 18 2.808 15.761 -10.932 1.00 0.00 N ATOM 0 H LYS A 18 6.580 13.850 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 18 5.137 16.040 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.551 15.983 -7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.344 14.978 -8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.416 17.597 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.446 17.653 -8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.865 16.046 -8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.011 17.609 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.705 16.624 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.454 15.059 -9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.622 14.739 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.967 16.246 -10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.025 16.127 -11.881 1.00 0.00 H new ATOM 359 N ASP A 19 3.250 13.732 -6.677 1.00 0.00 N ATOM 360 CA ASP A 19 1.868 13.256 -6.779 1.00 0.00 C ATOM 361 C ASP A 19 1.602 12.115 -5.805 1.00 0.00 C ATOM 362 O ASP A 19 0.511 11.987 -5.260 1.00 0.00 O ATOM 363 CB ASP A 19 1.562 12.782 -8.203 1.00 0.00 C ATOM 364 CG ASP A 19 1.158 13.912 -9.126 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.994 15.053 -8.652 1.00 0.00 O ATOM 366 OD2 ASP A 19 1.006 13.668 -10.338 1.00 0.00 O ATOM 0 H ASP A 19 3.936 13.144 -7.149 1.00 0.00 H new ATOM 0 HA ASP A 19 1.218 14.094 -6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.441 12.283 -8.611 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.762 12.043 -8.170 1.00 0.00 H new ATOM 371 N ILE A 20 2.607 11.289 -5.599 1.00 0.00 N ATOM 372 CA ILE A 20 2.499 10.155 -4.710 1.00 0.00 C ATOM 373 C ILE A 20 2.245 10.603 -3.268 1.00 0.00 C ATOM 374 O ILE A 20 2.989 11.403 -2.689 1.00 0.00 O ATOM 375 CB ILE A 20 3.758 9.250 -4.844 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.366 7.908 -5.463 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.496 9.047 -3.524 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.538 6.984 -5.712 1.00 0.00 C ATOM 0 H ILE A 20 3.520 11.386 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 20 1.634 9.558 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 20 4.458 9.766 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.655 7.409 -4.804 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.852 8.090 -6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.363 8.407 -3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.824 10.012 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.828 8.576 -2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.180 6.053 -6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.240 7.462 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.040 6.770 -4.768 1.00 0.00 H new ATOM 390 N LYS A 21 1.159 10.094 -2.719 1.00 0.00 N ATOM 391 CA LYS A 21 0.738 10.417 -1.367 1.00 0.00 C ATOM 392 C LYS A 21 -0.183 9.311 -0.866 1.00 0.00 C ATOM 393 O LYS A 21 -0.789 8.604 -1.665 1.00 0.00 O ATOM 394 CB LYS A 21 0.011 11.776 -1.351 1.00 0.00 C ATOM 395 CG LYS A 21 -0.393 12.261 0.037 1.00 0.00 C ATOM 396 CD LYS A 21 -1.025 13.647 0.002 1.00 0.00 C ATOM 397 CE LYS A 21 -2.321 13.660 -0.791 1.00 0.00 C ATOM 398 NZ LYS A 21 -2.983 14.993 -0.759 1.00 0.00 N ATOM 0 H LYS A 21 0.540 9.441 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 21 1.607 10.490 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.657 12.525 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.883 11.703 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.097 11.554 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.485 12.280 0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.219 13.983 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.323 14.355 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.116 13.382 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.000 12.909 -0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.990 14.875 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.530 15.588 -0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.891 15.449 -1.689 1.00 0.00 H new ATOM 412 N THR A 22 -0.288 9.152 0.442 1.00 0.00 N ATOM 413 CA THR A 22 -1.144 8.121 1.010 1.00 0.00 C ATOM 414 C THR A 22 -2.608 8.614 1.066 1.00 0.00 C ATOM 415 O THR A 22 -3.285 8.642 0.038 1.00 0.00 O ATOM 416 CB THR A 22 -0.607 7.689 2.403 1.00 0.00 C ATOM 417 OG1 THR A 22 -1.593 6.953 3.136 1.00 0.00 O ATOM 418 CG2 THR A 22 -0.161 8.893 3.223 1.00 0.00 C ATOM 0 H THR A 22 0.206 9.720 1.130 1.00 0.00 H new ATOM 0 HA THR A 22 -1.128 7.238 0.371 1.00 0.00 H new ATOM 0 HB THR A 22 0.254 7.045 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.336 6.008 3.173 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.209 8.557 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.633 9.420 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.006 9.565 3.371 1.00 0.00 H new ATOM 426 N SER A 23 -3.075 9.029 2.239 1.00 0.00 N ATOM 427 CA SER A 23 -4.432 9.554 2.416 1.00 0.00 C ATOM 428 C SER A 23 -5.516 8.648 1.795 1.00 0.00 C ATOM 429 O SER A 23 -5.758 7.540 2.280 1.00 0.00 O ATOM 430 CB SER A 23 -4.515 10.971 1.832 1.00 0.00 C ATOM 431 OG SER A 23 -3.461 11.786 2.322 1.00 0.00 O ATOM 0 H SER A 23 -2.525 9.012 3.098 1.00 0.00 H new ATOM 0 HA SER A 23 -4.633 9.580 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.467 10.923 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.475 11.418 2.089 1.00 0.00 H new ATOM 0 HG SER A 23 -3.534 12.683 1.935 1.00 0.00 H new ATOM 437 N TYR A 24 -6.164 9.131 0.730 1.00 0.00 N ATOM 438 CA TYR A 24 -7.224 8.393 0.052 1.00 0.00 C ATOM 439 C TYR A 24 -6.704 7.378 -0.944 1.00 0.00 C ATOM 440 O TYR A 24 -7.372 6.381 -1.223 1.00 0.00 O ATOM 441 CB TYR A 24 -8.192 9.357 -0.613 1.00 0.00 C ATOM 442 CG TYR A 24 -9.371 9.670 0.285 1.00 0.00 C ATOM 443 CD1 TYR A 24 -9.195 9.808 1.657 1.00 0.00 C ATOM 444 CD2 TYR A 24 -10.658 9.773 -0.221 1.00 0.00 C ATOM 445 CE1 TYR A 24 -10.265 10.040 2.495 1.00 0.00 C ATOM 446 CE2 TYR A 24 -11.735 10.018 0.612 1.00 0.00 C ATOM 447 CZ TYR A 24 -11.531 10.144 1.970 1.00 0.00 C ATOM 448 OH TYR A 24 -12.602 10.367 2.811 1.00 0.00 O ATOM 0 H TYR A 24 -5.966 10.043 0.318 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.750 7.822 0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -7.671 10.280 -0.866 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -8.550 8.927 -1.548 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.202 9.732 2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.822 9.660 -1.282 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -10.109 10.140 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.730 10.110 0.201 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.427 10.416 2.284 1.00 0.00 H new ATOM 458 N ILE A 25 -5.510 7.601 -1.455 1.00 0.00 N ATOM 459 CA ILE A 25 -4.910 6.660 -2.384 1.00 0.00 C ATOM 460 C ILE A 25 -4.686 5.338 -1.660 1.00 0.00 C ATOM 461 O ILE A 25 -4.846 4.252 -2.221 1.00 0.00 O ATOM 462 CB ILE A 25 -3.585 7.201 -2.952 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.856 8.491 -3.720 1.00 0.00 C ATOM 464 CG2 ILE A 25 -2.913 6.171 -3.846 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.617 9.137 -4.269 1.00 0.00 C ATOM 0 H ILE A 25 -4.938 8.419 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.583 6.511 -3.229 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.904 7.410 -2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.539 8.277 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.362 9.197 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.980 6.579 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.703 5.270 -3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.574 5.924 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.888 10.048 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.941 9.383 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.121 8.449 -4.954 1.00 0.00 H new ATOM 477 N MET A 26 -4.362 5.444 -0.388 1.00 0.00 N ATOM 478 CA MET A 26 -4.163 4.284 0.450 1.00 0.00 C ATOM 479 C MET A 26 -5.499 3.814 1.009 1.00 0.00 C ATOM 480 O MET A 26 -5.685 2.633 1.259 1.00 0.00 O ATOM 481 CB MET A 26 -3.223 4.620 1.610 1.00 0.00 C ATOM 482 CG MET A 26 -2.944 3.443 2.527 1.00 0.00 C ATOM 483 SD MET A 26 -1.962 3.882 3.976 1.00 0.00 S ATOM 484 CE MET A 26 -3.147 4.818 4.942 1.00 0.00 C ATOM 0 H MET A 26 -4.230 6.335 0.091 1.00 0.00 H new ATOM 0 HA MET A 26 -3.719 3.493 -0.154 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.279 4.987 1.207 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.657 5.431 2.195 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.891 3.015 2.855 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.422 2.669 1.964 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.881 5.875 4.920 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.144 4.686 4.522 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.137 4.463 5.973 1.00 0.00 H new ATOM 494 N ASP A 27 -6.435 4.747 1.187 1.00 0.00 N ATOM 495 CA ASP A 27 -7.757 4.419 1.727 1.00 0.00 C ATOM 496 C ASP A 27 -8.480 3.453 0.810 1.00 0.00 C ATOM 497 O ASP A 27 -9.116 2.498 1.253 1.00 0.00 O ATOM 498 CB ASP A 27 -8.560 5.717 1.913 1.00 0.00 C ATOM 499 CG ASP A 27 -10.013 5.508 2.311 1.00 0.00 C ATOM 500 OD1 ASP A 27 -10.811 5.048 1.473 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.365 5.829 3.465 1.00 0.00 O ATOM 0 H ASP A 27 -6.304 5.734 0.966 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.647 3.930 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.072 6.325 2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.529 6.285 0.983 1.00 0.00 H new ATOM 506 N HIS A 28 -8.352 3.694 -0.471 1.00 0.00 N ATOM 507 CA HIS A 28 -8.974 2.842 -1.458 1.00 0.00 C ATOM 508 C HIS A 28 -8.239 1.516 -1.599 1.00 0.00 C ATOM 509 O HIS A 28 -8.826 0.531 -2.011 1.00 0.00 O ATOM 510 CB HIS A 28 -9.054 3.582 -2.783 1.00 0.00 C ATOM 511 CG HIS A 28 -10.129 4.621 -2.760 1.00 0.00 C ATOM 512 ND1 HIS A 28 -11.466 4.304 -2.668 1.00 0.00 N ATOM 513 CD2 HIS A 28 -10.063 5.972 -2.739 1.00 0.00 C ATOM 514 CE1 HIS A 28 -12.174 5.410 -2.589 1.00 0.00 C ATOM 515 NE2 HIS A 28 -11.348 6.437 -2.629 1.00 0.00 N ATOM 0 H HIS A 28 -7.822 4.475 -0.857 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.984 2.600 -1.128 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.095 4.053 -2.998 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.248 2.872 -3.587 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.167 6.572 -2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.249 5.467 -2.506 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.621 7.419 -2.585 1.00 0.00 H new ATOM 524 N MET A 29 -6.966 1.492 -1.233 1.00 0.00 N ATOM 525 CA MET A 29 -6.172 0.264 -1.317 1.00 0.00 C ATOM 526 C MET A 29 -6.447 -0.671 -0.135 1.00 0.00 C ATOM 527 O MET A 29 -6.435 -1.894 -0.286 1.00 0.00 O ATOM 528 CB MET A 29 -4.685 0.588 -1.373 1.00 0.00 C ATOM 529 CG MET A 29 -4.236 1.149 -2.705 1.00 0.00 C ATOM 530 SD MET A 29 -2.466 0.948 -2.979 1.00 0.00 S ATOM 531 CE MET A 29 -2.379 -0.789 -3.418 1.00 0.00 C ATOM 0 H MET A 29 -6.458 2.301 -0.876 1.00 0.00 H new ATOM 0 HA MET A 29 -6.467 -0.246 -2.234 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.448 1.306 -0.588 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.116 -0.317 -1.159 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.783 0.653 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.490 2.208 -2.753 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.343 -1.124 -3.374 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.979 -1.372 -2.719 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.763 -0.929 -4.429 1.00 0.00 H new ATOM 541 N ILE A 30 -6.691 -0.093 1.041 1.00 0.00 N ATOM 542 CA ILE A 30 -6.970 -0.875 2.244 1.00 0.00 C ATOM 543 C ILE A 30 -8.359 -1.480 2.144 1.00 0.00 C ATOM 544 O ILE A 30 -8.548 -2.672 2.374 1.00 0.00 O ATOM 545 CB ILE A 30 -6.904 -0.002 3.510 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.689 0.917 3.478 1.00 0.00 C ATOM 547 CG2 ILE A 30 -6.843 -0.860 4.765 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.746 2.016 4.516 1.00 0.00 C ATOM 0 H ILE A 30 -6.701 0.917 1.186 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.214 -1.656 2.318 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.812 0.601 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.788 0.324 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.606 1.365 2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.797 -0.217 5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.733 -1.487 4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.955 -1.492 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.852 2.635 4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.629 2.632 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.798 1.574 5.511 1.00 0.00 H new ATOM 560 N SER A 31 -9.328 -0.649 1.765 1.00 0.00 N ATOM 561 CA SER A 31 -10.700 -1.107 1.602 1.00 0.00 C ATOM 562 C SER A 31 -10.783 -2.070 0.427 1.00 0.00 C ATOM 563 O SER A 31 -11.646 -2.950 0.392 1.00 0.00 O ATOM 564 CB SER A 31 -11.647 0.076 1.395 1.00 0.00 C ATOM 565 OG SER A 31 -11.634 0.940 2.519 1.00 0.00 O ATOM 0 H SER A 31 -9.186 0.341 1.566 1.00 0.00 H new ATOM 0 HA SER A 31 -11.007 -1.626 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.354 0.629 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.660 -0.290 1.225 1.00 0.00 H new ATOM 0 HG SER A 31 -10.907 1.591 2.423 1.00 0.00 H new ATOM 571 N ASP A 32 -9.852 -1.913 -0.514 1.00 0.00 N ATOM 572 CA ASP A 32 -9.783 -2.787 -1.672 1.00 0.00 C ATOM 573 C ASP A 32 -9.363 -4.172 -1.207 1.00 0.00 C ATOM 574 O ASP A 32 -9.740 -5.183 -1.801 1.00 0.00 O ATOM 575 CB ASP A 32 -8.791 -2.234 -2.701 1.00 0.00 C ATOM 576 CG ASP A 32 -8.967 -2.818 -4.091 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.115 -2.869 -4.583 1.00 0.00 O ATOM 578 OD2 ASP A 32 -7.952 -3.170 -4.717 1.00 0.00 O ATOM 0 H ASP A 32 -9.137 -1.186 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.759 -2.844 -2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.902 -1.151 -2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.776 -2.434 -2.358 1.00 0.00 H new ATOM 583 N GLY A 33 -8.607 -4.214 -0.104 1.00 0.00 N ATOM 584 CA GLY A 33 -8.190 -5.491 0.444 1.00 0.00 C ATOM 585 C GLY A 33 -6.769 -5.856 0.088 1.00 0.00 C ATOM 586 O GLY A 33 -6.275 -6.913 0.482 1.00 0.00 O ATOM 0 H GLY A 33 -8.282 -3.395 0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.290 -5.463 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.860 -6.271 0.082 1.00 0.00 H new ATOM 590 N PHE A 34 -6.102 -4.991 -0.647 1.00 0.00 N ATOM 591 CA PHE A 34 -4.726 -5.251 -1.030 1.00 0.00 C ATOM 592 C PHE A 34 -3.781 -4.741 0.049 1.00 0.00 C ATOM 593 O PHE A 34 -2.627 -5.169 0.151 1.00 0.00 O ATOM 594 CB PHE A 34 -4.407 -4.626 -2.387 1.00 0.00 C ATOM 595 CG PHE A 34 -5.056 -5.344 -3.539 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.420 -5.593 -3.539 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.303 -5.770 -4.617 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.023 -6.248 -4.586 1.00 0.00 C ATOM 599 CE2 PHE A 34 -4.906 -6.432 -5.676 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.268 -6.669 -5.659 1.00 0.00 C ATOM 0 H PHE A 34 -6.484 -4.109 -0.990 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.588 -6.328 -1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.733 -3.586 -2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.327 -4.622 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.019 -5.267 -2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.239 -5.586 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.087 -6.432 -4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.311 -6.763 -6.515 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.739 -7.183 -6.484 1.00 0.00 H new ATOM 610 N LEU A 35 -4.301 -3.854 0.876 1.00 0.00 N ATOM 611 CA LEU A 35 -3.556 -3.299 1.991 1.00 0.00 C ATOM 612 C LEU A 35 -4.256 -3.684 3.283 1.00 0.00 C ATOM 613 O LEU A 35 -5.443 -3.415 3.450 1.00 0.00 O ATOM 614 CB LEU A 35 -3.458 -1.776 1.884 1.00 0.00 C ATOM 615 CG LEU A 35 -2.117 -1.241 1.391 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.820 -1.748 -0.014 1.00 0.00 C ATOM 617 CD2 LEU A 35 -2.108 0.279 1.435 1.00 0.00 C ATOM 0 H LEU A 35 -5.253 -3.497 0.794 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.542 -3.700 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.240 -1.425 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.664 -1.346 2.864 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.331 -1.607 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.859 -1.355 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.784 -2.837 -0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.604 -1.415 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.145 0.648 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.902 0.666 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.270 0.614 2.459 1.00 0.00 H new ATOM 629 N THR A 36 -3.540 -4.332 4.182 1.00 0.00 N ATOM 630 CA THR A 36 -4.122 -4.767 5.441 1.00 0.00 C ATOM 631 C THR A 36 -3.950 -3.708 6.519 1.00 0.00 C ATOM 632 O THR A 36 -3.219 -2.741 6.324 1.00 0.00 O ATOM 633 CB THR A 36 -3.487 -6.089 5.907 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.056 -5.984 5.851 1.00 0.00 O ATOM 635 CG2 THR A 36 -3.960 -7.246 5.032 1.00 0.00 C ATOM 0 H THR A 36 -2.555 -4.570 4.066 1.00 0.00 H new ATOM 0 HA THR A 36 -5.188 -4.924 5.274 1.00 0.00 H new ATOM 0 HB THR A 36 -3.794 -6.284 6.934 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.754 -6.120 4.929 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.501 -8.173 5.376 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.045 -7.332 5.097 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.672 -7.061 3.997 1.00 0.00 H new ATOM 643 N ILE A 37 -4.619 -3.892 7.650 1.00 0.00 N ATOM 644 CA ILE A 37 -4.525 -2.950 8.755 1.00 0.00 C ATOM 645 C ILE A 37 -3.070 -2.801 9.211 1.00 0.00 C ATOM 646 O ILE A 37 -2.643 -1.714 9.586 1.00 0.00 O ATOM 647 CB ILE A 37 -5.413 -3.389 9.937 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.877 -3.506 9.484 1.00 0.00 C ATOM 649 CG2 ILE A 37 -5.284 -2.412 11.095 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.824 -3.955 10.576 1.00 0.00 C ATOM 0 H ILE A 37 -5.234 -4.687 7.825 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.883 -1.983 8.402 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.077 -4.367 10.281 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.208 -2.539 9.105 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.935 -4.211 8.654 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.918 -2.739 11.919 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.246 -2.377 11.427 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.595 -1.419 10.770 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.837 -4.013 10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.520 -4.936 10.940 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.798 -3.239 11.398 1.00 0.00 H new ATOM 662 N SER A 38 -2.306 -3.891 9.139 1.00 0.00 N ATOM 663 CA SER A 38 -0.889 -3.866 9.515 1.00 0.00 C ATOM 664 C SER A 38 -0.095 -3.050 8.497 1.00 0.00 C ATOM 665 O SER A 38 0.818 -2.302 8.853 1.00 0.00 O ATOM 666 CB SER A 38 -0.334 -5.294 9.602 1.00 0.00 C ATOM 667 OG SER A 38 1.025 -5.313 10.026 1.00 0.00 O ATOM 0 H SER A 38 -2.642 -4.801 8.825 1.00 0.00 H new ATOM 0 HA SER A 38 -0.793 -3.398 10.495 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.939 -5.876 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.416 -5.775 8.627 1.00 0.00 H new ATOM 0 HG SER A 38 1.341 -6.240 10.070 1.00 0.00 H new ATOM 673 N GLU A 39 -0.467 -3.181 7.226 1.00 0.00 N ATOM 674 CA GLU A 39 0.191 -2.438 6.166 1.00 0.00 C ATOM 675 C GLU A 39 -0.186 -0.962 6.269 1.00 0.00 C ATOM 676 O GLU A 39 0.654 -0.084 6.079 1.00 0.00 O ATOM 677 CB GLU A 39 -0.152 -3.043 4.798 1.00 0.00 C ATOM 678 CG GLU A 39 0.549 -4.381 4.570 1.00 0.00 C ATOM 679 CD GLU A 39 -0.004 -5.183 3.411 1.00 0.00 C ATOM 680 OE1 GLU A 39 -1.198 -5.533 3.443 1.00 0.00 O ATOM 681 OE2 GLU A 39 0.766 -5.505 2.485 1.00 0.00 O ATOM 0 H GLU A 39 -1.219 -3.794 6.910 1.00 0.00 H new ATOM 0 HA GLU A 39 1.273 -2.509 6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.231 -3.182 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.135 -2.345 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.609 -4.198 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.473 -4.978 5.479 1.00 0.00 H new ATOM 688 N GLU A 40 -1.442 -0.706 6.631 1.00 0.00 N ATOM 689 CA GLU A 40 -1.933 0.655 6.826 1.00 0.00 C ATOM 690 C GLU A 40 -1.255 1.284 8.039 1.00 0.00 C ATOM 691 O GLU A 40 -0.832 2.440 8.006 1.00 0.00 O ATOM 692 CB GLU A 40 -3.440 0.655 7.073 1.00 0.00 C ATOM 693 CG GLU A 40 -3.982 2.033 7.434 1.00 0.00 C ATOM 694 CD GLU A 40 -5.334 1.983 8.107 1.00 0.00 C ATOM 695 OE1 GLU A 40 -5.455 1.323 9.156 1.00 0.00 O ATOM 696 OE2 GLU A 40 -6.276 2.619 7.599 1.00 0.00 O ATOM 0 H GLU A 40 -2.142 -1.430 6.796 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.707 1.224 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.949 0.292 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.671 -0.043 7.878 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.273 2.534 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.056 2.636 6.529 1.00 0.00 H new ATOM 703 N GLU A 41 -1.200 0.498 9.118 1.00 0.00 N ATOM 704 CA GLU A 41 -0.631 0.915 10.399 1.00 0.00 C ATOM 705 C GLU A 41 0.707 1.634 10.250 1.00 0.00 C ATOM 706 O GLU A 41 0.830 2.786 10.634 1.00 0.00 O ATOM 707 CB GLU A 41 -0.467 -0.303 11.319 1.00 0.00 C ATOM 708 CG GLU A 41 -0.128 0.052 12.755 1.00 0.00 C ATOM 709 CD GLU A 41 0.085 -1.173 13.621 1.00 0.00 C ATOM 710 OE1 GLU A 41 0.104 -2.299 13.080 1.00 0.00 O ATOM 711 OE2 GLU A 41 0.243 -1.019 14.848 1.00 0.00 O ATOM 0 H GLU A 41 -1.555 -0.458 9.125 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.329 1.628 10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.390 -0.882 11.307 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.318 -0.945 10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.773 0.665 12.771 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.932 0.655 13.176 1.00 0.00 H new ATOM 718 N LYS A 42 1.710 0.950 9.729 1.00 0.00 N ATOM 719 CA LYS A 42 3.041 1.553 9.589 1.00 0.00 C ATOM 720 C LYS A 42 3.030 2.841 8.760 1.00 0.00 C ATOM 721 O LYS A 42 3.641 3.838 9.154 1.00 0.00 O ATOM 722 CB LYS A 42 4.032 0.548 9.004 1.00 0.00 C ATOM 723 CG LYS A 42 4.367 -0.592 9.956 1.00 0.00 C ATOM 724 CD LYS A 42 5.561 -1.405 9.476 1.00 0.00 C ATOM 725 CE LYS A 42 6.825 -0.559 9.387 1.00 0.00 C ATOM 726 NZ LYS A 42 7.173 0.071 10.688 1.00 0.00 N ATOM 0 H LYS A 42 1.639 -0.012 9.397 1.00 0.00 H new ATOM 0 HA LYS A 42 3.362 1.829 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.619 0.134 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.951 1.069 8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.579 -0.187 10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.501 -1.246 10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.730 -2.239 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.340 -1.832 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.655 -1.183 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.688 0.218 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.128 0.479 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.487 0.822 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.148 -0.647 11.439 1.00 0.00 H new ATOM 740 N VAL A 43 2.324 2.826 7.633 1.00 0.00 N ATOM 741 CA VAL A 43 2.228 4.004 6.770 1.00 0.00 C ATOM 742 C VAL A 43 1.617 5.177 7.540 1.00 0.00 C ATOM 743 O VAL A 43 2.141 6.289 7.515 1.00 0.00 O ATOM 744 CB VAL A 43 1.362 3.722 5.521 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.269 4.955 4.630 1.00 0.00 C ATOM 746 CG2 VAL A 43 1.916 2.548 4.738 1.00 0.00 C ATOM 0 H VAL A 43 1.810 2.013 7.294 1.00 0.00 H new ATOM 0 HA VAL A 43 3.239 4.254 6.448 1.00 0.00 H new ATOM 0 HB VAL A 43 0.358 3.470 5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.654 4.729 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.818 5.775 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.268 5.244 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.291 2.367 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.933 2.772 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.922 1.660 5.370 1.00 0.00 H new ATOM 756 N ARG A 44 0.499 4.921 8.223 1.00 0.00 N ATOM 757 CA ARG A 44 -0.184 5.963 8.993 1.00 0.00 C ATOM 758 C ARG A 44 0.572 6.316 10.283 1.00 0.00 C ATOM 759 O ARG A 44 0.391 7.402 10.833 1.00 0.00 O ATOM 760 CB ARG A 44 -1.629 5.541 9.317 1.00 0.00 C ATOM 761 CG ARG A 44 -1.743 4.399 10.320 1.00 0.00 C ATOM 762 CD ARG A 44 -3.184 3.927 10.498 1.00 0.00 C ATOM 763 NE ARG A 44 -4.054 4.972 11.034 1.00 0.00 N ATOM 764 CZ ARG A 44 -5.351 4.809 11.305 1.00 0.00 C ATOM 765 NH1 ARG A 44 -5.935 3.635 11.119 1.00 0.00 N ATOM 766 NH2 ARG A 44 -6.059 5.832 11.757 1.00 0.00 N ATOM 0 H ARG A 44 0.049 4.006 8.259 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.208 6.858 8.372 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.168 6.405 9.706 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.124 5.246 8.392 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.128 3.563 9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.347 4.723 11.283 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.574 3.592 9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.201 3.066 11.167 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.642 5.888 11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.393 2.846 10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.927 3.520 11.329 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.613 6.739 11.896 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.050 5.714 11.966 1.00 0.00 H new ATOM 780 N ASN A 45 1.416 5.403 10.768 1.00 0.00 N ATOM 781 CA ASN A 45 2.180 5.642 11.993 1.00 0.00 C ATOM 782 C ASN A 45 3.229 6.722 11.787 1.00 0.00 C ATOM 783 O ASN A 45 3.511 7.502 12.702 1.00 0.00 O ATOM 784 CB ASN A 45 2.857 4.360 12.469 1.00 0.00 C ATOM 785 CG ASN A 45 2.025 3.571 13.468 1.00 0.00 C ATOM 786 OD1 ASN A 45 2.481 2.548 13.985 1.00 0.00 O ATOM 787 ND2 ASN A 45 0.812 4.025 13.744 1.00 0.00 N ATOM 0 H ASN A 45 1.587 4.496 10.334 1.00 0.00 H new ATOM 0 HA ASN A 45 1.476 5.979 12.754 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.070 3.729 11.606 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.815 4.612 12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.218 3.524 14.405 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.471 4.875 13.295 1.00 0.00 H new ATOM 794 N GLU A 46 3.804 6.772 10.593 1.00 0.00 N ATOM 795 CA GLU A 46 4.816 7.777 10.288 1.00 0.00 C ATOM 796 C GLU A 46 4.189 9.178 10.330 1.00 0.00 C ATOM 797 O GLU A 46 3.008 9.343 10.018 1.00 0.00 O ATOM 798 CB GLU A 46 5.467 7.485 8.942 1.00 0.00 C ATOM 799 CG GLU A 46 6.088 6.093 8.868 1.00 0.00 C ATOM 800 CD GLU A 46 7.206 5.879 9.873 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.641 6.857 10.522 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.671 4.731 10.013 1.00 0.00 O ATOM 0 H GLU A 46 3.590 6.135 9.825 1.00 0.00 H new ATOM 0 HA GLU A 46 5.602 7.740 11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.720 7.586 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.238 8.231 8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.311 5.347 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.476 5.929 7.863 1.00 0.00 H new ATOM 809 N PRO A 47 4.947 10.189 10.784 1.00 0.00 N ATOM 810 CA PRO A 47 4.428 11.551 10.951 1.00 0.00 C ATOM 811 C PRO A 47 4.326 12.415 9.685 1.00 0.00 C ATOM 812 O PRO A 47 3.481 13.309 9.631 1.00 0.00 O ATOM 813 CB PRO A 47 5.414 12.175 11.939 1.00 0.00 C ATOM 814 CG PRO A 47 6.696 11.450 11.723 1.00 0.00 C ATOM 815 CD PRO A 47 6.342 10.068 11.239 1.00 0.00 C ATOM 0 HA PRO A 47 3.389 11.504 11.276 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.531 13.243 11.757 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.066 12.063 12.966 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.314 11.969 10.990 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.271 11.400 12.647 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.998 9.750 10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.438 9.331 12.036 1.00 0.00 H new ATOM 823 N THR A 48 5.170 12.209 8.681 1.00 0.00 N ATOM 824 CA THR A 48 5.099 13.051 7.496 1.00 0.00 C ATOM 825 C THR A 48 5.422 12.282 6.229 1.00 0.00 C ATOM 826 O THR A 48 5.883 11.144 6.301 1.00 0.00 O ATOM 827 CB THR A 48 6.063 14.252 7.622 1.00 0.00 C ATOM 828 OG1 THR A 48 7.172 13.916 8.479 1.00 0.00 O ATOM 829 CG2 THR A 48 5.349 15.471 8.188 1.00 0.00 C ATOM 0 H THR A 48 5.891 11.488 8.662 1.00 0.00 H new ATOM 0 HA THR A 48 4.072 13.409 7.426 1.00 0.00 H new ATOM 0 HB THR A 48 6.428 14.488 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.776 14.685 8.549 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.052 16.301 8.266 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.528 15.751 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.955 15.235 9.177 1.00 0.00 H new ATOM 837 N GLN A 49 5.179 12.938 5.083 1.00 0.00 N ATOM 838 CA GLN A 49 5.428 12.394 3.737 1.00 0.00 C ATOM 839 C GLN A 49 6.711 11.564 3.671 1.00 0.00 C ATOM 840 O GLN A 49 6.795 10.618 2.898 1.00 0.00 O ATOM 841 CB GLN A 49 5.529 13.564 2.745 1.00 0.00 C ATOM 842 CG GLN A 49 5.923 13.177 1.322 1.00 0.00 C ATOM 843 CD GLN A 49 4.733 12.962 0.403 1.00 0.00 C ATOM 844 OE1 GLN A 49 3.703 13.629 0.527 1.00 0.00 O ATOM 845 NE2 GLN A 49 4.875 12.053 -0.538 1.00 0.00 N ATOM 0 H GLN A 49 4.795 13.883 5.065 1.00 0.00 H new ATOM 0 HA GLN A 49 4.600 11.732 3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.567 14.076 2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.258 14.280 3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.559 13.958 0.904 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.518 12.264 1.353 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.743 11.522 -0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.117 11.880 -1.198 1.00 0.00 H new ATOM 854 N GLN A 50 7.674 11.937 4.507 1.00 0.00 N ATOM 855 CA GLN A 50 8.969 11.279 4.611 1.00 0.00 C ATOM 856 C GLN A 50 8.847 9.766 4.540 1.00 0.00 C ATOM 857 O GLN A 50 8.861 9.185 3.456 1.00 0.00 O ATOM 858 CB GLN A 50 9.641 11.690 5.925 1.00 0.00 C ATOM 859 CG GLN A 50 11.101 11.284 6.029 1.00 0.00 C ATOM 860 CD GLN A 50 11.553 11.062 7.463 1.00 0.00 C ATOM 861 OE1 GLN A 50 12.704 10.711 7.711 1.00 0.00 O ATOM 862 NE2 GLN A 50 10.647 11.237 8.412 1.00 0.00 N ATOM 0 H GLN A 50 7.572 12.725 5.146 1.00 0.00 H new ATOM 0 HA GLN A 50 9.577 11.595 3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.567 12.772 6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.092 11.247 6.756 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.260 10.369 5.458 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.721 12.056 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 50 9.701 11.529 8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.895 11.080 9.389 1.00 0.00 H new ATOM 871 N GLN A 51 8.726 9.129 5.687 1.00 0.00 N ATOM 872 CA GLN A 51 8.608 7.687 5.730 1.00 0.00 C ATOM 873 C GLN A 51 7.148 7.261 5.698 1.00 0.00 C ATOM 874 O GLN A 51 6.855 6.079 5.651 1.00 0.00 O ATOM 875 CB GLN A 51 9.319 7.125 6.961 1.00 0.00 C ATOM 876 CG GLN A 51 10.815 7.386 6.959 1.00 0.00 C ATOM 877 CD GLN A 51 11.635 6.110 7.029 1.00 0.00 C ATOM 878 OE1 GLN A 51 11.528 5.344 7.984 1.00 0.00 O ATOM 879 NE2 GLN A 51 12.454 5.870 6.020 1.00 0.00 N ATOM 0 H GLN A 51 8.707 9.586 6.599 1.00 0.00 H new ATOM 0 HA GLN A 51 9.093 7.278 4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.881 7.564 7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 51 9.144 6.050 7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.082 7.935 6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.069 8.023 7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 51 12.515 6.530 5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.025 5.025 6.016 1.00 0.00 H new ATOM 888 N ARG A 52 6.232 8.227 5.693 1.00 0.00 N ATOM 889 CA ARG A 52 4.807 7.898 5.629 1.00 0.00 C ATOM 890 C ARG A 52 4.457 7.516 4.200 1.00 0.00 C ATOM 891 O ARG A 52 3.991 6.407 3.930 1.00 0.00 O ATOM 892 CB ARG A 52 3.943 9.065 6.117 1.00 0.00 C ATOM 893 CG ARG A 52 2.449 8.883 5.902 1.00 0.00 C ATOM 894 CD ARG A 52 1.642 9.725 6.890 1.00 0.00 C ATOM 895 NE ARG A 52 0.647 10.583 6.233 1.00 0.00 N ATOM 896 CZ ARG A 52 0.890 11.812 5.792 1.00 0.00 C ATOM 897 NH1 ARG A 52 2.075 12.368 5.984 1.00 0.00 N ATOM 898 NH2 ARG A 52 -0.065 12.483 5.167 1.00 0.00 N ATOM 0 H ARG A 52 6.443 9.224 5.732 1.00 0.00 H new ATOM 0 HA ARG A 52 4.602 7.056 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.127 9.216 7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.262 9.974 5.606 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.189 9.165 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.188 7.831 6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.136 9.064 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.323 10.347 7.470 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.294 10.210 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.807 11.853 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.257 13.312 5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.981 12.056 5.027 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.115 13.427 4.826 1.00 0.00 H new ATOM 912 N ALA A 53 4.734 8.422 3.273 1.00 0.00 N ATOM 913 CA ALA A 53 4.491 8.148 1.873 1.00 0.00 C ATOM 914 C ALA A 53 5.506 7.138 1.389 1.00 0.00 C ATOM 915 O ALA A 53 5.154 6.199 0.686 1.00 0.00 O ATOM 916 CB ALA A 53 4.556 9.421 1.055 1.00 0.00 C ATOM 0 H ALA A 53 5.124 9.344 3.467 1.00 0.00 H new ATOM 0 HA ALA A 53 3.489 7.737 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.370 9.189 0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.801 10.121 1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.544 9.870 1.158 1.00 0.00 H new ATOM 922 N ALA A 54 6.768 7.310 1.797 1.00 0.00 N ATOM 923 CA ALA A 54 7.812 6.371 1.403 1.00 0.00 C ATOM 924 C ALA A 54 7.445 4.952 1.807 1.00 0.00 C ATOM 925 O ALA A 54 7.800 4.013 1.115 1.00 0.00 O ATOM 926 CB ALA A 54 9.158 6.730 2.003 1.00 0.00 C ATOM 0 H ALA A 54 7.083 8.078 2.389 1.00 0.00 H new ATOM 0 HA ALA A 54 7.893 6.433 0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.905 6.003 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.452 7.725 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.086 6.720 3.091 1.00 0.00 H new ATOM 932 N MET A 55 6.729 4.799 2.923 1.00 0.00 N ATOM 933 CA MET A 55 6.327 3.486 3.385 1.00 0.00 C ATOM 934 C MET A 55 5.296 2.895 2.435 1.00 0.00 C ATOM 935 O MET A 55 5.393 1.730 2.060 1.00 0.00 O ATOM 936 CB MET A 55 5.793 3.577 4.814 1.00 0.00 C ATOM 937 CG MET A 55 5.451 2.221 5.402 1.00 0.00 C ATOM 938 SD MET A 55 6.872 1.112 5.423 1.00 0.00 S ATOM 939 CE MET A 55 6.094 -0.449 5.813 1.00 0.00 C ATOM 0 H MET A 55 6.421 5.570 3.516 1.00 0.00 H new ATOM 0 HA MET A 55 7.191 2.821 3.394 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.537 4.064 5.445 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.904 4.207 4.825 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.078 2.351 6.418 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.647 1.768 4.823 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.800 -1.083 6.350 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.217 -0.273 6.437 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.790 -0.944 4.891 1.00 0.00 H new ATOM 949 N LEU A 56 4.340 3.716 2.023 1.00 0.00 N ATOM 950 CA LEU A 56 3.314 3.284 1.081 1.00 0.00 C ATOM 951 C LEU A 56 3.968 2.854 -0.240 1.00 0.00 C ATOM 952 O LEU A 56 3.712 1.769 -0.778 1.00 0.00 O ATOM 953 CB LEU A 56 2.341 4.444 0.829 1.00 0.00 C ATOM 954 CG LEU A 56 1.149 4.129 -0.073 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.103 3.350 0.695 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.562 5.408 -0.646 1.00 0.00 C ATOM 0 H LEU A 56 4.253 4.686 2.326 1.00 0.00 H new ATOM 0 HA LEU A 56 2.770 2.436 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.963 4.791 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.898 5.271 0.388 1.00 0.00 H new ATOM 0 HG LEU A 56 1.492 3.514 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.741 3.132 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.535 2.416 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.239 3.941 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.286 5.164 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.229 6.052 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.321 5.926 -1.232 1.00 0.00 H new ATOM 968 N ILE A 57 4.828 3.734 -0.742 1.00 0.00 N ATOM 969 CA ILE A 57 5.558 3.520 -1.993 1.00 0.00 C ATOM 970 C ILE A 57 6.572 2.372 -1.820 1.00 0.00 C ATOM 971 O ILE A 57 6.994 1.738 -2.789 1.00 0.00 O ATOM 972 CB ILE A 57 6.251 4.860 -2.410 1.00 0.00 C ATOM 973 CG1 ILE A 57 5.301 6.027 -2.149 1.00 0.00 C ATOM 974 CG2 ILE A 57 6.680 4.896 -3.873 1.00 0.00 C ATOM 975 CD1 ILE A 57 3.895 5.819 -2.679 1.00 0.00 C ATOM 0 H ILE A 57 5.042 4.624 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 57 4.874 3.227 -2.789 1.00 0.00 H new ATOM 0 HB ILE A 57 7.156 4.939 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.249 6.204 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.717 6.927 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.153 5.854 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.389 4.090 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.806 4.770 -4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.287 6.694 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.931 5.673 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.455 4.939 -2.209 1.00 0.00 H new ATOM 987 N LYS A 58 6.923 2.086 -0.564 1.00 0.00 N ATOM 988 CA LYS A 58 7.848 1.007 -0.240 1.00 0.00 C ATOM 989 C LYS A 58 7.116 -0.334 -0.271 1.00 0.00 C ATOM 990 O LYS A 58 7.678 -1.342 -0.688 1.00 0.00 O ATOM 991 CB LYS A 58 8.499 1.242 1.128 1.00 0.00 C ATOM 992 CG LYS A 58 9.499 0.168 1.532 1.00 0.00 C ATOM 993 CD LYS A 58 9.029 -0.615 2.750 1.00 0.00 C ATOM 994 CE LYS A 58 10.103 -1.561 3.252 1.00 0.00 C ATOM 995 NZ LYS A 58 11.281 -0.826 3.769 1.00 0.00 N ATOM 0 H LYS A 58 6.575 2.594 0.249 1.00 0.00 H new ATOM 0 HA LYS A 58 8.641 0.989 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.004 2.208 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.717 1.299 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.654 -0.516 0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.462 0.631 1.747 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.753 0.078 3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.133 -1.182 2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.693 -2.192 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.413 -2.222 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.858 -1.463 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.851 -0.479 2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.962 -0.020 4.344 1.00 0.00 H new ATOM 1009 N MET A 59 5.845 -0.336 0.141 1.00 0.00 N ATOM 1010 CA MET A 59 5.055 -1.565 0.106 1.00 0.00 C ATOM 1011 C MET A 59 5.009 -2.054 -1.329 1.00 0.00 C ATOM 1012 O MET A 59 5.275 -3.214 -1.616 1.00 0.00 O ATOM 1013 CB MET A 59 3.613 -1.362 0.552 1.00 0.00 C ATOM 1014 CG MET A 59 3.418 -0.533 1.798 1.00 0.00 C ATOM 1015 SD MET A 59 1.670 -0.166 2.062 1.00 0.00 S ATOM 1016 CE MET A 59 1.153 0.169 0.379 1.00 0.00 C ATOM 0 H MET A 59 5.351 0.483 0.495 1.00 0.00 H new ATOM 0 HA MET A 59 5.528 -2.271 0.788 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.064 -0.891 -0.264 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.163 -2.341 0.716 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.816 -1.067 2.661 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.980 0.397 1.712 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.145 0.584 0.384 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.838 0.884 -0.076 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.161 -0.757 -0.195 1.00 0.00 H new ATOM 1026 N ILE A 60 4.674 -1.121 -2.225 1.00 0.00 N ATOM 1027 CA ILE A 60 4.591 -1.391 -3.658 1.00 0.00 C ATOM 1028 C ILE A 60 5.928 -1.901 -4.191 1.00 0.00 C ATOM 1029 O ILE A 60 5.971 -2.808 -5.024 1.00 0.00 O ATOM 1030 CB ILE A 60 4.192 -0.107 -4.404 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.893 0.445 -3.829 1.00 0.00 C ATOM 1032 CG2 ILE A 60 4.045 -0.368 -5.892 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.701 1.902 -4.120 1.00 0.00 C ATOM 0 H ILE A 60 4.453 -0.157 -1.974 1.00 0.00 H new ATOM 0 HA ILE A 60 3.836 -2.160 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 60 4.982 0.632 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.053 -0.116 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.884 0.291 -2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.762 0.556 -6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.993 -0.726 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.274 -1.121 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.760 2.239 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.524 2.471 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.680 2.058 -5.199 1.00 0.00 H new ATOM 1045 N LEU A 61 7.014 -1.331 -3.673 1.00 0.00 N ATOM 1046 CA LEU A 61 8.365 -1.738 -4.053 1.00 0.00 C ATOM 1047 C LEU A 61 8.541 -3.239 -3.790 1.00 0.00 C ATOM 1048 O LEU A 61 9.339 -3.911 -4.449 1.00 0.00 O ATOM 1049 CB LEU A 61 9.383 -0.908 -3.251 1.00 0.00 C ATOM 1050 CG LEU A 61 10.831 -0.896 -3.765 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.551 0.337 -3.243 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.580 -2.146 -3.323 1.00 0.00 C ATOM 0 H LEU A 61 6.983 -0.580 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 61 8.530 -1.559 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.028 0.122 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.390 -1.279 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 61 10.805 -0.876 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.577 0.342 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.037 1.233 -3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.555 0.322 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.602 -2.111 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.597 -2.194 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.078 -3.030 -3.717 1.00 0.00 H new ATOM 1064 N LYS A 62 7.769 -3.758 -2.840 1.00 0.00 N ATOM 1065 CA LYS A 62 7.819 -5.169 -2.504 1.00 0.00 C ATOM 1066 C LYS A 62 6.450 -5.841 -2.693 1.00 0.00 C ATOM 1067 O LYS A 62 6.079 -6.742 -1.937 1.00 0.00 O ATOM 1068 CB LYS A 62 8.290 -5.326 -1.055 1.00 0.00 C ATOM 1069 CG LYS A 62 9.421 -6.328 -0.883 1.00 0.00 C ATOM 1070 CD LYS A 62 8.933 -7.766 -0.991 1.00 0.00 C ATOM 1071 CE LYS A 62 8.081 -8.153 0.209 1.00 0.00 C ATOM 1072 NZ LYS A 62 8.841 -8.094 1.489 1.00 0.00 N ATOM 0 H LYS A 62 7.101 -3.217 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 62 8.522 -5.661 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.617 -4.355 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.445 -5.636 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.184 -6.147 -1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.893 -6.178 0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.353 -7.888 -1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.788 -8.438 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.220 -7.487 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.694 -9.162 0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.330 -8.628 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.784 -8.510 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.940 -7.103 1.789 1.00 0.00 H new ATOM 1086 N LYS A 63 5.709 -5.427 -3.720 1.00 0.00 N ATOM 1087 CA LYS A 63 4.414 -6.021 -4.010 1.00 0.00 C ATOM 1088 C LYS A 63 4.356 -6.475 -5.467 1.00 0.00 C ATOM 1089 O LYS A 63 5.383 -6.619 -6.121 1.00 0.00 O ATOM 1090 CB LYS A 63 3.270 -5.060 -3.689 1.00 0.00 C ATOM 1091 CG LYS A 63 2.890 -5.058 -2.215 1.00 0.00 C ATOM 1092 CD LYS A 63 1.621 -4.271 -1.965 1.00 0.00 C ATOM 1093 CE LYS A 63 1.178 -4.372 -0.511 1.00 0.00 C ATOM 1094 NZ LYS A 63 0.895 -5.777 -0.097 1.00 0.00 N ATOM 0 H LYS A 63 5.986 -4.684 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 63 4.291 -6.893 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.556 -4.051 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.397 -5.332 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.755 -6.084 -1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.704 -4.631 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.783 -3.225 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.828 -4.642 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.954 -3.956 0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.284 -3.766 -0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.378 -5.776 0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.318 -6.244 -0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.791 -6.292 0.018 1.00 0.00 H new ATOM 1108 N ASP A 64 3.155 -6.714 -5.968 1.00 0.00 N ATOM 1109 CA ASP A 64 2.977 -7.172 -7.345 1.00 0.00 C ATOM 1110 C ASP A 64 2.083 -6.230 -8.113 1.00 0.00 C ATOM 1111 O ASP A 64 1.527 -5.291 -7.544 1.00 0.00 O ATOM 1112 CB ASP A 64 2.380 -8.582 -7.390 1.00 0.00 C ATOM 1113 CG ASP A 64 3.139 -9.579 -6.538 1.00 0.00 C ATOM 1114 OD1 ASP A 64 2.985 -9.551 -5.301 1.00 0.00 O ATOM 1115 OD2 ASP A 64 3.897 -10.398 -7.099 1.00 0.00 O ATOM 0 H ASP A 64 2.286 -6.600 -5.446 1.00 0.00 H new ATOM 0 HA ASP A 64 3.964 -7.192 -7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.344 -8.542 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.367 -8.931 -8.422 1.00 0.00 H new ATOM 1120 N ASN A 65 1.947 -6.487 -9.411 1.00 0.00 N ATOM 1121 CA ASN A 65 1.115 -5.655 -10.264 1.00 0.00 C ATOM 1122 C ASN A 65 -0.328 -5.672 -9.793 1.00 0.00 C ATOM 1123 O ASN A 65 -1.084 -4.772 -10.110 1.00 0.00 O ATOM 1124 CB ASN A 65 1.220 -6.058 -11.741 1.00 0.00 C ATOM 1125 CG ASN A 65 1.029 -7.537 -11.979 1.00 0.00 C ATOM 1126 OD1 ASN A 65 -0.012 -8.101 -11.656 1.00 0.00 O ATOM 1127 ND2 ASN A 65 2.045 -8.165 -12.544 1.00 0.00 N ATOM 0 H ASN A 65 2.402 -7.263 -9.891 1.00 0.00 H new ATOM 0 HA ASN A 65 1.489 -4.634 -10.185 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.474 -5.507 -12.313 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.197 -5.760 -12.122 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.986 -9.166 -12.731 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.889 -7.649 -12.793 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.698 -6.678 -9.007 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.047 -6.756 -8.480 1.00 0.00 C ATOM 1136 C ASP A 66 -2.317 -5.534 -7.617 1.00 0.00 C ATOM 1137 O ASP A 66 -3.292 -4.807 -7.827 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.242 -8.028 -7.647 1.00 0.00 C ATOM 1139 CG ASP A 66 -1.796 -9.277 -8.372 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -0.572 -9.500 -8.479 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -2.666 -10.036 -8.840 1.00 0.00 O ATOM 0 H ASP A 66 -0.085 -7.443 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.746 -6.787 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.684 -7.936 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.294 -8.124 -7.380 1.00 0.00 H new ATOM 1146 N SER A 67 -1.422 -5.283 -6.666 1.00 0.00 N ATOM 1147 CA SER A 67 -1.562 -4.122 -5.796 1.00 0.00 C ATOM 1148 C SER A 67 -1.160 -2.878 -6.548 1.00 0.00 C ATOM 1149 O SER A 67 -1.634 -1.790 -6.276 1.00 0.00 O ATOM 1150 CB SER A 67 -0.679 -4.235 -4.565 1.00 0.00 C ATOM 1151 OG SER A 67 -0.435 -5.588 -4.216 1.00 0.00 O ATOM 0 H SER A 67 -0.602 -5.861 -6.480 1.00 0.00 H new ATOM 0 HA SER A 67 -2.604 -4.071 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.269 -3.730 -4.750 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.154 -3.723 -3.728 1.00 0.00 H new ATOM 0 HG SER A 67 -0.812 -5.770 -3.330 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.271 -3.064 -7.499 1.00 0.00 N ATOM 1158 CA TYR A 68 0.226 -1.975 -8.308 1.00 0.00 C ATOM 1159 C TYR A 68 -0.900 -1.377 -9.139 1.00 0.00 C ATOM 1160 O TYR A 68 -1.044 -0.159 -9.204 1.00 0.00 O ATOM 1161 CB TYR A 68 1.341 -2.502 -9.192 1.00 0.00 C ATOM 1162 CG TYR A 68 1.880 -1.513 -10.181 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.469 -0.325 -9.773 1.00 0.00 C ATOM 1164 CD2 TYR A 68 1.825 -1.788 -11.534 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.984 0.565 -10.695 1.00 0.00 C ATOM 1166 CE2 TYR A 68 2.331 -0.907 -12.454 1.00 0.00 C ATOM 1167 CZ TYR A 68 2.912 0.264 -12.035 1.00 0.00 C ATOM 1168 OH TYR A 68 3.426 1.124 -12.971 1.00 0.00 O ATOM 0 H TYR A 68 0.127 -3.974 -7.732 1.00 0.00 H new ATOM 0 HA TYR A 68 0.617 -1.182 -7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.159 -2.842 -8.557 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.975 -3.374 -9.734 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.526 -0.093 -8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.377 -2.711 -11.872 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.439 1.488 -10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.273 -1.134 -13.508 1.00 0.00 H new ATOM 0 HH TYR A 68 2.926 1.033 -13.809 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.713 -2.231 -9.744 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.833 -1.754 -10.528 1.00 0.00 C ATOM 1180 C VAL A 69 -3.859 -1.133 -9.582 1.00 0.00 C ATOM 1181 O VAL A 69 -4.498 -0.142 -9.918 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.490 -2.862 -11.383 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.670 -2.312 -12.163 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.476 -3.462 -12.340 1.00 0.00 C ATOM 0 H VAL A 69 -1.617 -3.246 -9.706 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.458 -1.012 -11.233 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.849 -3.640 -10.710 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.117 -3.109 -12.757 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.412 -1.917 -11.469 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.330 -1.514 -12.823 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.954 -4.241 -12.935 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.094 -2.684 -13.000 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.651 -3.893 -11.773 1.00 0.00 H new ATOM 1194 N SER A 70 -3.969 -1.697 -8.374 1.00 0.00 N ATOM 1195 CA SER A 70 -4.879 -1.161 -7.359 1.00 0.00 C ATOM 1196 C SER A 70 -4.372 0.222 -6.925 1.00 0.00 C ATOM 1197 O SER A 70 -5.137 1.181 -6.872 1.00 0.00 O ATOM 1198 CB SER A 70 -4.973 -2.112 -6.151 1.00 0.00 C ATOM 1199 OG SER A 70 -5.853 -1.612 -5.156 1.00 0.00 O ATOM 0 H SER A 70 -3.443 -2.519 -8.078 1.00 0.00 H new ATOM 0 HA SER A 70 -5.880 -1.068 -7.780 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.319 -3.090 -6.484 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.981 -2.254 -5.722 1.00 0.00 H new ATOM 0 HG SER A 70 -6.691 -2.119 -5.176 1.00 0.00 H new ATOM 1205 N PHE A 71 -3.060 0.330 -6.662 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.452 1.614 -6.293 1.00 0.00 C ATOM 1207 C PHE A 71 -2.685 2.614 -7.427 1.00 0.00 C ATOM 1208 O PHE A 71 -3.073 3.759 -7.201 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.951 1.432 -6.002 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.139 2.694 -6.039 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.379 3.718 -5.135 1.00 0.00 C ATOM 1212 CD2 PHE A 71 0.866 2.856 -6.975 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.375 4.877 -5.162 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.621 4.008 -7.007 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.374 5.022 -6.101 1.00 0.00 C ATOM 0 H PHE A 71 -2.406 -0.452 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.914 1.998 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.840 0.975 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.538 0.731 -6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.164 3.609 -4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.061 2.070 -7.689 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.182 5.666 -4.450 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.406 4.119 -7.740 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.963 5.927 -6.129 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.495 2.138 -8.652 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.730 2.939 -9.849 1.00 0.00 C ATOM 1227 C TYR A 72 -4.171 3.437 -9.862 1.00 0.00 C ATOM 1228 O TYR A 72 -4.443 4.615 -10.077 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.476 2.071 -11.085 1.00 0.00 C ATOM 1230 CG TYR A 72 -3.005 2.638 -12.391 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.388 3.710 -13.016 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.120 2.074 -13.008 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.870 4.211 -14.214 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.603 2.569 -14.203 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.976 3.636 -14.802 1.00 0.00 C ATOM 1236 OH TYR A 72 -4.463 4.131 -15.990 1.00 0.00 O ATOM 0 H TYR A 72 -2.175 1.189 -8.844 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.058 3.797 -9.854 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.402 1.913 -11.184 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.928 1.093 -10.922 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.518 4.162 -12.562 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.615 1.234 -12.543 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.380 5.050 -14.686 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.470 2.120 -14.665 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.246 3.609 -16.266 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.075 2.503 -9.617 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.509 2.761 -9.572 1.00 0.00 C ATOM 1248 C ASN A 73 -6.832 3.833 -8.531 1.00 0.00 C ATOM 1249 O ASN A 73 -7.682 4.700 -8.750 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.221 1.445 -9.216 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.717 1.462 -9.458 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.436 2.332 -8.972 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.201 0.465 -10.181 1.00 0.00 N ATOM 0 H ASN A 73 -4.832 1.528 -9.441 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.849 3.125 -10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.779 0.637 -9.799 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.037 1.218 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.204 0.399 -10.352 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.571 -0.238 -10.567 1.00 0.00 H new ATOM 1260 N ALA A 74 -6.135 3.768 -7.404 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.322 4.724 -6.320 1.00 0.00 C ATOM 1262 C ALA A 74 -5.883 6.120 -6.741 1.00 0.00 C ATOM 1263 O ALA A 74 -6.496 7.117 -6.352 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.556 4.276 -5.094 1.00 0.00 C ATOM 0 H ALA A 74 -5.429 3.056 -7.216 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.384 4.765 -6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.702 4.997 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.919 3.299 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.495 4.209 -5.333 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.840 6.182 -7.563 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.336 7.451 -8.070 1.00 0.00 C ATOM 1272 C LEU A 75 -5.399 8.094 -8.955 1.00 0.00 C ATOM 1273 O LEU A 75 -5.491 9.317 -9.055 1.00 0.00 O ATOM 1274 CB LEU A 75 -3.041 7.247 -8.864 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.856 6.663 -8.085 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.756 6.214 -9.042 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.313 7.686 -7.102 1.00 0.00 C ATOM 0 H LEU A 75 -4.327 5.364 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.114 8.106 -7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.255 6.589 -9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.738 8.208 -9.279 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.206 5.794 -7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.077 5.802 -8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.148 5.451 -9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.410 7.068 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.473 7.256 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.980 8.571 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.097 7.966 -6.398 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.222 7.253 -9.580 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.300 7.736 -10.426 1.00 0.00 C ATOM 1291 C LEU A 76 -8.539 8.048 -9.593 1.00 0.00 C ATOM 1292 O LEU A 76 -9.414 8.787 -10.042 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.654 6.731 -11.520 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.836 6.846 -12.808 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.388 6.428 -12.569 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.465 6.016 -13.918 1.00 0.00 C ATOM 0 H LEU A 76 -6.159 6.237 -9.514 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.949 8.650 -10.905 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.529 5.725 -11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.709 6.847 -11.768 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.837 7.890 -13.122 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.825 6.518 -13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.943 7.074 -11.812 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.360 5.394 -12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.869 6.111 -14.826 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.500 4.970 -13.615 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.477 6.372 -14.110 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.613 7.507 -8.373 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.756 7.791 -7.509 1.00 0.00 C ATOM 1310 C HIS A 77 -9.646 9.227 -7.042 1.00 0.00 C ATOM 1311 O HIS A 77 -10.615 9.985 -7.066 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.839 6.860 -6.288 1.00 0.00 C ATOM 1313 CG HIS A 77 -11.267 6.507 -5.968 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -12.218 7.449 -5.623 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -11.917 5.319 -5.994 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -13.383 6.856 -5.453 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -13.229 5.564 -5.673 1.00 0.00 N ATOM 0 H HIS A 77 -7.912 6.885 -7.971 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.664 7.623 -8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.272 5.950 -6.482 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.380 7.344 -5.426 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -11.483 4.357 -6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -14.307 7.345 -5.180 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -13.966 4.861 -5.614 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.443 9.602 -6.643 1.00 0.00 N ATOM 1327 CA GLU A 78 -8.188 10.955 -6.198 1.00 0.00 C ATOM 1328 C GLU A 78 -7.704 11.802 -7.384 1.00 0.00 C ATOM 1329 O GLU A 78 -8.243 11.671 -8.486 1.00 0.00 O ATOM 1330 CB GLU A 78 -7.225 10.946 -4.992 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.746 10.108 -3.841 1.00 0.00 C ATOM 1332 CD GLU A 78 -9.219 10.353 -3.586 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.588 11.502 -3.265 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -10.016 9.401 -3.732 1.00 0.00 O ATOM 0 H GLU A 78 -7.630 8.987 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.105 11.423 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.255 10.561 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.066 11.969 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.586 9.052 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.178 10.337 -2.939 1.00 0.00 H new ATOM 1341 N GLY A 79 -6.735 12.678 -7.185 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.295 13.518 -8.281 1.00 0.00 C ATOM 1343 C GLY A 79 -4.830 13.359 -8.642 1.00 0.00 C ATOM 1344 O GLY A 79 -4.106 14.349 -8.724 1.00 0.00 O ATOM 0 H GLY A 79 -6.250 12.824 -6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.900 13.294 -9.160 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.482 14.560 -8.022 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.387 12.132 -8.875 1.00 0.00 N ATOM 1349 CA TYR A 80 -2.993 11.896 -9.244 1.00 0.00 C ATOM 1350 C TYR A 80 -2.902 10.946 -10.436 1.00 0.00 C ATOM 1351 O TYR A 80 -2.141 9.969 -10.438 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.205 11.363 -8.052 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.154 12.339 -6.898 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -1.538 13.573 -7.047 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -2.724 12.037 -5.666 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -1.488 14.474 -6.005 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -2.677 12.935 -4.619 1.00 0.00 C ATOM 1358 CZ TYR A 80 -2.056 14.149 -4.796 1.00 0.00 C ATOM 1359 OH TYR A 80 -1.996 15.047 -3.754 1.00 0.00 O ATOM 0 H TYR A 80 -4.962 11.292 -8.817 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.550 12.846 -9.541 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.655 10.430 -7.713 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.189 11.130 -8.369 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.090 13.832 -7.995 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -3.212 11.084 -5.526 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.005 15.431 -6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.124 12.686 -3.668 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.981 15.960 -4.110 1.00 0.00 H new ATOM 1369 N LYS A 81 -3.697 11.252 -11.450 1.00 0.00 N ATOM 1370 CA LYS A 81 -3.760 10.462 -12.671 1.00 0.00 C ATOM 1371 C LYS A 81 -2.529 10.699 -13.551 1.00 0.00 C ATOM 1372 O LYS A 81 -2.284 9.951 -14.493 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.045 10.810 -13.429 1.00 0.00 C ATOM 1374 CG LYS A 81 -6.297 10.634 -12.585 1.00 0.00 C ATOM 1375 CD LYS A 81 -7.521 11.256 -13.239 1.00 0.00 C ATOM 1376 CE LYS A 81 -8.727 11.210 -12.310 1.00 0.00 C ATOM 1377 NZ LYS A 81 -9.899 11.944 -12.865 1.00 0.00 N ATOM 0 H LYS A 81 -4.320 12.060 -11.449 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.769 9.404 -12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.988 11.842 -13.775 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.119 10.180 -14.316 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.476 9.572 -12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.140 11.087 -11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.306 12.290 -13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.751 10.726 -14.164 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.004 10.171 -12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.456 11.640 -11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.694 11.884 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.645 12.942 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.177 11.519 -13.773 1.00 0.00 H new ATOM 1391 N ASP A 82 -1.752 11.732 -13.230 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.536 12.047 -13.986 1.00 0.00 C ATOM 1393 C ASP A 82 0.546 11.028 -13.657 1.00 0.00 C ATOM 1394 O ASP A 82 1.117 10.408 -14.555 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.059 13.467 -13.659 1.00 0.00 C ATOM 1396 CG ASP A 82 1.025 13.966 -14.597 1.00 0.00 C ATOM 1397 OD1 ASP A 82 1.423 13.224 -15.514 1.00 0.00 O ATOM 1398 OD2 ASP A 82 1.473 15.121 -14.427 1.00 0.00 O ATOM 0 H ASP A 82 -1.940 12.366 -12.453 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.753 12.000 -15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.909 14.148 -13.702 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.316 13.490 -12.636 1.00 0.00 H new ATOM 1403 N LEU A 83 0.793 10.825 -12.364 1.00 0.00 N ATOM 1404 CA LEU A 83 1.777 9.838 -11.925 1.00 0.00 C ATOM 1405 C LEU A 83 1.330 8.481 -12.430 1.00 0.00 C ATOM 1406 O LEU A 83 2.115 7.703 -12.958 1.00 0.00 O ATOM 1407 CB LEU A 83 1.874 9.822 -10.397 1.00 0.00 C ATOM 1408 CG LEU A 83 3.277 9.632 -9.816 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.902 8.301 -10.225 1.00 0.00 C ATOM 1410 CD2 LEU A 83 4.174 10.792 -10.219 1.00 0.00 C ATOM 0 H LEU A 83 0.329 11.327 -11.607 1.00 0.00 H new ATOM 0 HA LEU A 83 2.761 10.089 -12.321 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.469 10.760 -10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.235 9.023 -10.020 1.00 0.00 H new ATOM 0 HG LEU A 83 3.179 9.614 -8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.896 8.216 -9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.277 7.481 -9.870 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.979 8.254 -11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.169 10.645 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.242 10.839 -11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.755 11.724 -9.841 1.00 0.00 H new ATOM 1422 N ALA A 84 0.038 8.238 -12.280 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.579 7.001 -12.730 1.00 0.00 C ATOM 1424 C ALA A 84 -0.372 6.789 -14.229 1.00 0.00 C ATOM 1425 O ALA A 84 -0.122 5.673 -14.669 1.00 0.00 O ATOM 1426 CB ALA A 84 -2.059 7.023 -12.404 1.00 0.00 C ATOM 0 H ALA A 84 -0.612 8.892 -11.843 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.103 6.171 -12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.520 6.095 -12.742 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.193 7.123 -11.327 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.530 7.867 -12.908 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.460 7.865 -15.009 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.259 7.785 -16.454 1.00 0.00 C ATOM 1434 C ALA A 85 1.177 7.390 -16.749 1.00 0.00 C ATOM 1435 O ALA A 85 1.438 6.599 -17.653 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.605 9.108 -17.125 1.00 0.00 C ATOM 0 H ALA A 85 -0.669 8.802 -14.664 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.926 7.024 -16.860 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.447 9.023 -18.200 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.649 9.353 -16.930 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.033 9.896 -16.726 1.00 0.00 H new ATOM 1442 N LEU A 86 2.099 7.912 -15.950 1.00 0.00 N ATOM 1443 CA LEU A 86 3.516 7.576 -16.096 1.00 0.00 C ATOM 1444 C LEU A 86 3.730 6.075 -15.884 1.00 0.00 C ATOM 1445 O LEU A 86 4.716 5.497 -16.344 1.00 0.00 O ATOM 1446 CB LEU A 86 4.360 8.352 -15.077 1.00 0.00 C ATOM 1447 CG LEU A 86 4.403 9.867 -15.269 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.992 10.537 -14.038 1.00 0.00 C ATOM 1449 CD2 LEU A 86 5.226 10.216 -16.498 1.00 0.00 C ATOM 0 H LEU A 86 1.896 8.568 -15.196 1.00 0.00 H new ATOM 0 HA LEU A 86 3.827 7.850 -17.104 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.976 8.142 -14.079 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.380 7.971 -15.112 1.00 0.00 H new ATOM 0 HG LEU A 86 3.385 10.230 -15.412 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.017 11.616 -14.188 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.377 10.306 -13.168 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.005 10.170 -13.874 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.250 11.298 -16.625 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.243 9.843 -16.373 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.777 9.757 -17.379 1.00 0.00 H new ATOM 1461 N LEU A 87 2.798 5.468 -15.157 1.00 0.00 N ATOM 1462 CA LEU A 87 2.846 4.044 -14.825 1.00 0.00 C ATOM 1463 C LEU A 87 1.822 3.234 -15.619 1.00 0.00 C ATOM 1464 O LEU A 87 1.736 2.017 -15.465 1.00 0.00 O ATOM 1465 CB LEU A 87 2.560 3.850 -13.340 1.00 0.00 C ATOM 1466 CG LEU A 87 3.712 4.111 -12.368 1.00 0.00 C ATOM 1467 CD1 LEU A 87 4.288 5.503 -12.545 1.00 0.00 C ATOM 1468 CD2 LEU A 87 3.228 3.933 -10.944 1.00 0.00 C ATOM 0 H LEU A 87 1.983 5.950 -14.778 1.00 0.00 H new ATOM 0 HA LEU A 87 3.845 3.690 -15.080 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.732 4.504 -13.067 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.219 2.825 -13.192 1.00 0.00 H new ATOM 0 HG LEU A 87 4.503 3.392 -12.583 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.104 5.652 -11.838 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.664 5.614 -13.562 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.510 6.245 -12.363 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.051 4.120 -10.254 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.420 4.637 -10.744 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.864 2.915 -10.808 1.00 0.00 H new ATOM 1480 N HIS A 88 1.043 3.915 -16.452 1.00 0.00 N ATOM 1481 CA HIS A 88 0.008 3.269 -17.264 1.00 0.00 C ATOM 1482 C HIS A 88 0.640 2.268 -18.216 1.00 0.00 C ATOM 1483 O HIS A 88 0.032 1.257 -18.567 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.757 4.323 -18.060 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.996 3.828 -18.754 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.615 4.536 -19.758 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.748 2.713 -18.569 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.693 3.888 -20.153 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.793 2.781 -19.450 1.00 0.00 N ATOM 0 H HIS A 88 1.107 4.924 -16.586 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.682 2.744 -16.604 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.037 5.132 -17.385 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.087 4.748 -18.807 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.557 1.921 -17.860 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.378 4.211 -20.923 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.532 2.084 -19.546 1.00 0.00 H new ATOM 1498 N ASP A 89 1.872 2.554 -18.614 1.00 0.00 N ATOM 1499 CA ASP A 89 2.624 1.677 -19.518 1.00 0.00 C ATOM 1500 C ASP A 89 2.974 0.371 -18.812 1.00 0.00 C ATOM 1501 O ASP A 89 3.238 -0.649 -19.452 1.00 0.00 O ATOM 1502 CB ASP A 89 3.897 2.381 -20.001 1.00 0.00 C ATOM 1503 CG ASP A 89 3.591 3.686 -20.705 1.00 0.00 C ATOM 1504 OD1 ASP A 89 2.970 3.656 -21.789 1.00 0.00 O ATOM 1505 OD2 ASP A 89 3.939 4.755 -20.163 1.00 0.00 O ATOM 0 H ASP A 89 2.379 3.391 -18.326 1.00 0.00 H new ATOM 0 HA ASP A 89 2.003 1.449 -20.384 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.550 2.573 -19.150 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.441 1.722 -20.678 1.00 0.00 H new ATOM 1510 N GLY A 90 2.956 0.415 -17.487 1.00 0.00 N ATOM 1511 CA GLY A 90 3.247 -0.757 -16.685 1.00 0.00 C ATOM 1512 C GLY A 90 1.981 -1.454 -16.236 1.00 0.00 C ATOM 1513 O GLY A 90 2.018 -2.607 -15.807 1.00 0.00 O ATOM 0 H GLY A 90 2.742 1.254 -16.947 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.860 -1.450 -17.262 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.831 -0.465 -15.812 1.00 0.00 H new ATOM 1517 N ILE A 91 0.861 -0.742 -16.333 1.00 0.00 N ATOM 1518 CA ILE A 91 -0.438 -1.277 -15.939 1.00 0.00 C ATOM 1519 C ILE A 91 -1.025 -2.130 -17.066 1.00 0.00 C ATOM 1520 O ILE A 91 -1.292 -1.622 -18.155 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.442 -0.149 -15.594 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.876 0.754 -14.495 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.785 -0.732 -15.168 1.00 0.00 C ATOM 1524 CD1 ILE A 91 -0.563 0.039 -13.207 1.00 0.00 C ATOM 0 H ILE A 91 0.829 0.215 -16.684 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.278 -1.887 -15.050 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.600 0.453 -16.489 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.033 1.229 -14.864 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.592 1.550 -14.291 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.474 0.078 -14.930 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.196 -1.331 -15.981 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.646 -1.360 -14.288 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.167 0.751 -12.483 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.473 -0.413 -12.811 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.177 -0.739 -13.393 1.00 0.00 H new ATOM 1536 N PRO A 92 -1.229 -3.434 -16.820 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.781 -4.350 -17.823 1.00 0.00 C ATOM 1538 C PRO A 92 -3.191 -3.951 -18.273 1.00 0.00 C ATOM 1539 O PRO A 92 -3.352 -3.290 -19.298 1.00 0.00 O ATOM 1540 CB PRO A 92 -1.800 -5.707 -17.111 1.00 0.00 C ATOM 1541 CG PRO A 92 -0.853 -5.560 -15.972 1.00 0.00 C ATOM 1542 CD PRO A 92 -0.931 -4.121 -15.557 1.00 0.00 C ATOM 0 HA PRO A 92 -1.187 -4.350 -18.737 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.802 -5.955 -16.761 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.489 -6.508 -17.781 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.127 -6.220 -15.149 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.161 -5.826 -16.270 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.711 -3.956 -14.813 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.005 -3.775 -15.119 1.00 0.00 H new ATOM 1550 N VAL A 93 -4.210 -4.350 -17.514 1.00 0.00 N ATOM 1551 CA VAL A 93 -5.586 -4.013 -17.871 1.00 0.00 C ATOM 1552 C VAL A 93 -6.465 -3.745 -16.645 1.00 0.00 C ATOM 1553 O VAL A 93 -6.154 -4.149 -15.525 1.00 0.00 O ATOM 1554 CB VAL A 93 -6.253 -5.128 -18.713 1.00 0.00 C ATOM 1555 CG1 VAL A 93 -5.730 -5.147 -20.143 1.00 0.00 C ATOM 1556 CG2 VAL A 93 -6.056 -6.483 -18.062 1.00 0.00 C ATOM 0 H VAL A 93 -4.112 -4.899 -16.660 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.512 -3.099 -18.461 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.320 -4.908 -18.753 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.223 -5.944 -20.700 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.938 -4.189 -20.619 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.654 -5.322 -20.135 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.533 -7.252 -18.670 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.990 -6.695 -17.979 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.503 -6.478 -17.068 1.00 0.00 H new ATOM 1566 N VAL A 94 -7.588 -3.089 -16.886 1.00 0.00 N ATOM 1567 CA VAL A 94 -8.556 -2.788 -15.853 1.00 0.00 C ATOM 1568 C VAL A 94 -9.945 -3.119 -16.384 1.00 0.00 C ATOM 1569 O VAL A 94 -10.325 -2.676 -17.469 1.00 0.00 O ATOM 1570 CB VAL A 94 -8.501 -1.310 -15.388 1.00 0.00 C ATOM 1571 CG1 VAL A 94 -7.260 -1.054 -14.549 1.00 0.00 C ATOM 1572 CG2 VAL A 94 -8.547 -0.357 -16.570 1.00 0.00 C ATOM 0 H VAL A 94 -7.852 -2.750 -17.811 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.318 -3.394 -14.979 1.00 0.00 H new ATOM 0 HB VAL A 94 -9.381 -1.125 -14.772 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.243 -0.011 -14.234 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -7.276 -1.698 -13.670 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.370 -1.269 -15.141 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.507 0.671 -16.210 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.695 -0.546 -17.223 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.472 -0.511 -17.126 1.00 0.00 H new ATOM 1582 N SER A 95 -10.667 -3.937 -15.645 1.00 0.00 N ATOM 1583 CA SER A 95 -12.000 -4.382 -16.046 1.00 0.00 C ATOM 1584 C SER A 95 -13.029 -3.246 -16.001 1.00 0.00 C ATOM 1585 O SER A 95 -13.788 -3.128 -15.039 1.00 0.00 O ATOM 1586 CB SER A 95 -12.449 -5.535 -15.142 1.00 0.00 C ATOM 1587 OG SER A 95 -11.451 -6.544 -15.057 1.00 0.00 O ATOM 0 H SER A 95 -10.354 -4.315 -14.751 1.00 0.00 H new ATOM 0 HA SER A 95 -11.940 -4.721 -17.080 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.669 -5.154 -14.145 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.372 -5.966 -15.530 1.00 0.00 H new ATOM 0 HG SER A 95 -11.764 -7.266 -14.473 1.00 0.00 H new ATOM 1593 N SER A 96 -13.046 -2.437 -17.067 1.00 0.00 N ATOM 1594 CA SER A 96 -13.968 -1.303 -17.219 1.00 0.00 C ATOM 1595 C SER A 96 -14.115 -0.479 -15.933 1.00 0.00 C ATOM 1596 O SER A 96 -15.128 -0.562 -15.229 1.00 0.00 O ATOM 1597 CB SER A 96 -15.333 -1.788 -17.714 1.00 0.00 C ATOM 1598 OG SER A 96 -15.769 -2.932 -17.001 1.00 0.00 O ATOM 0 H SER A 96 -12.413 -2.552 -17.858 1.00 0.00 H new ATOM 0 HA SER A 96 -13.534 -0.637 -17.965 1.00 0.00 H new ATOM 0 HB2 SER A 96 -16.066 -0.989 -17.604 1.00 0.00 H new ATOM 0 HB3 SER A 96 -15.273 -2.022 -18.777 1.00 0.00 H new ATOM 0 HG SER A 96 -15.644 -2.786 -16.040 1.00 0.00 H new ATOM 1604 N SER A 97 -13.114 0.330 -15.647 1.00 0.00 N ATOM 1605 CA SER A 97 -13.140 1.180 -14.463 1.00 0.00 C ATOM 1606 C SER A 97 -13.681 2.568 -14.819 1.00 0.00 C ATOM 1607 O SER A 97 -13.191 3.159 -15.809 1.00 0.00 O ATOM 1608 CB SER A 97 -11.735 1.296 -13.865 1.00 0.00 C ATOM 1609 OG SER A 97 -11.762 1.876 -12.571 1.00 0.00 O ATOM 1610 OXT SER A 97 -14.619 3.045 -14.138 1.00 0.00 O ATOM 0 H SER A 97 -12.271 0.420 -16.215 1.00 0.00 H new ATOM 0 HA SER A 97 -13.799 0.728 -13.722 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.280 0.307 -13.811 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.109 1.900 -14.522 1.00 0.00 H new ATOM 0 HG SER A 97 -10.849 1.933 -12.219 1.00 0.00 H new TER 1616 SER A 97