USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 766 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 78 HIS : no HE2:sc= -1.81 K(o=-0.5,f=-8.1!) USER MOD Set 1.2: B 208 THR OG1 : rot 118:sc= 1.31 USER MOD Single : A 8 MET CE :methyl -115:sc=-0.00957 (180deg=-0.162) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 130:sc= 1.24 (180deg=0.309) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 34 ASN : amide:sc=-0.00374 X(o=-0.0037,f=-0.29) USER MOD Single : A 35 THR OG1 : rot 131:sc= 1.11 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.636 K(o=-0.64,f=-3.8!) USER MOD Single : A 43 TYR OH : rot 38:sc= 0.384 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -45:sc= 0.323 USER MOD Single : A 60 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.069) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.407 K(o=0.41,f=-9.6!) USER MOD Single : A 72 SER OG : rot 15:sc= 0.00167 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.741 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0367 X(o=-0.037,f=-0.037) USER MOD Single : A 84 THR OG1 : rot 71:sc= 0.724 USER MOD Single : A 87 ASN : amide:sc= 0.34 K(o=0.34,f=-8.7!) USER MOD Single : A 88 THR OG1 : rot -94:sc= 1.29 USER MOD Single : A 90 GLN : amide:sc= -0.0925 K(o=-0.092,f=-0.87) USER MOD Single : A 93 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.029) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 30:sc= 0.0952 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -14.063 -8.593 -1.850 1.00 0.00 N ATOM 2 CA MET A 8 -14.791 -9.576 -1.110 1.00 0.00 C ATOM 3 C MET A 8 -14.862 -10.837 -1.902 1.00 0.00 C ATOM 4 O MET A 8 -15.722 -11.693 -1.702 1.00 0.00 O ATOM 5 CB MET A 8 -16.192 -9.059 -0.740 1.00 0.00 C ATOM 6 CG MET A 8 -16.160 -7.807 0.139 1.00 0.00 C ATOM 7 SD MET A 8 -17.799 -7.089 0.459 1.00 0.00 S ATOM 8 CE MET A 8 -18.007 -6.288 -1.158 1.00 0.00 C ATOM 0 HA MET A 8 -14.271 -9.782 -0.174 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.744 -8.839 -1.654 1.00 0.00 H new ATOM 0 HB3 MET A 8 -16.737 -9.847 -0.220 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.691 -8.055 1.091 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.532 -7.055 -0.339 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.034 -5.206 -1.027 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.172 -6.554 -1.806 1.00 0.00 H new ATOM 0 HE3 MET A 8 -18.940 -6.622 -1.612 1.00 0.00 H new ATOM 18 N LYS A 9 -13.901 -11.001 -2.828 1.00 0.00 N ATOM 19 CA LYS A 9 -13.723 -12.135 -3.682 1.00 0.00 C ATOM 20 C LYS A 9 -12.329 -12.617 -3.470 1.00 0.00 C ATOM 21 O LYS A 9 -11.501 -11.772 -3.133 1.00 0.00 O ATOM 22 CB LYS A 9 -13.914 -11.747 -5.157 1.00 0.00 C ATOM 23 CG LYS A 9 -15.343 -11.355 -5.537 1.00 0.00 C ATOM 24 CD LYS A 9 -16.153 -12.464 -6.211 1.00 0.00 C ATOM 25 CE LYS A 9 -16.505 -13.645 -5.304 1.00 0.00 C ATOM 26 NZ LYS A 9 -17.247 -14.675 -6.065 1.00 0.00 N ATOM 0 H LYS A 9 -13.194 -10.284 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.457 -12.906 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.250 -10.914 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.604 -12.585 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.869 -11.035 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.304 -10.495 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.077 -12.035 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.590 -12.837 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.595 -14.076 -4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.107 -13.300 -4.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.479 -15.471 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.125 -14.263 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.659 -15.016 -6.852 1.00 0.00 H new ATOM 40 N PRO A 10 -11.964 -13.858 -3.603 1.00 0.00 N ATOM 41 CA PRO A 10 -10.672 -14.312 -3.181 1.00 0.00 C ATOM 42 C PRO A 10 -9.509 -13.792 -3.956 1.00 0.00 C ATOM 43 O PRO A 10 -9.333 -14.141 -5.122 1.00 0.00 O ATOM 44 CB PRO A 10 -10.727 -15.837 -3.228 1.00 0.00 C ATOM 45 CG PRO A 10 -12.225 -16.147 -3.073 1.00 0.00 C ATOM 46 CD PRO A 10 -12.872 -14.972 -3.823 1.00 0.00 C ATOM 0 HA PRO A 10 -10.486 -13.918 -2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.332 -16.224 -4.167 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.139 -16.285 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.491 -17.108 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.529 -16.181 -2.027 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.982 -15.191 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.868 -14.755 -3.437 1.00 0.00 H new ATOM 54 N GLY A 11 -8.673 -12.950 -3.322 1.00 0.00 N ATOM 55 CA GLY A 11 -7.460 -12.446 -3.885 1.00 0.00 C ATOM 56 C GLY A 11 -7.647 -11.276 -4.789 1.00 0.00 C ATOM 57 O GLY A 11 -6.929 -11.132 -5.777 1.00 0.00 O ATOM 0 H GLY A 11 -8.850 -12.607 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.787 -12.162 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.970 -13.246 -4.441 1.00 0.00 H new ATOM 61 N ASP A 12 -8.604 -10.391 -4.459 1.00 0.00 N ATOM 62 CA ASP A 12 -8.889 -9.182 -5.168 1.00 0.00 C ATOM 63 C ASP A 12 -7.833 -8.154 -4.955 1.00 0.00 C ATOM 64 O ASP A 12 -7.522 -7.790 -3.822 1.00 0.00 O ATOM 65 CB ASP A 12 -10.278 -8.686 -4.734 1.00 0.00 C ATOM 66 CG ASP A 12 -10.845 -7.573 -5.604 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.746 -7.668 -6.856 1.00 0.00 O ATOM 68 OD2 ASP A 12 -11.446 -6.612 -5.055 1.00 0.00 O ATOM 0 H ASP A 12 -9.213 -10.527 -3.652 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.895 -9.377 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.971 -9.527 -4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.220 -8.333 -3.705 1.00 0.00 H new ATOM 73 N THR A 13 -7.207 -7.645 -6.032 1.00 0.00 N ATOM 74 CA THR A 13 -6.263 -6.573 -5.962 1.00 0.00 C ATOM 75 C THR A 13 -6.908 -5.264 -6.259 1.00 0.00 C ATOM 76 O THR A 13 -7.652 -5.097 -7.223 1.00 0.00 O ATOM 77 CB THR A 13 -5.038 -6.712 -6.817 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.301 -7.338 -8.064 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.013 -7.591 -6.079 1.00 0.00 C ATOM 0 H THR A 13 -7.362 -7.990 -6.979 1.00 0.00 H new ATOM 0 HA THR A 13 -5.914 -6.619 -4.930 1.00 0.00 H new ATOM 0 HB THR A 13 -4.670 -5.703 -7.005 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.470 -7.401 -8.580 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.118 -7.699 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.749 -7.124 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.445 -8.574 -5.891 1.00 0.00 H new ATOM 87 N PHE A 14 -6.624 -4.260 -5.411 1.00 0.00 N ATOM 88 CA PHE A 14 -7.139 -2.929 -5.508 1.00 0.00 C ATOM 89 C PHE A 14 -5.998 -1.974 -5.596 1.00 0.00 C ATOM 90 O PHE A 14 -5.232 -1.792 -4.651 1.00 0.00 O ATOM 91 CB PHE A 14 -8.192 -2.495 -4.475 1.00 0.00 C ATOM 92 CG PHE A 14 -8.033 -2.953 -3.065 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.964 -4.283 -2.726 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.073 -2.033 -2.044 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.812 -4.684 -1.419 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.897 -2.415 -0.735 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.760 -3.745 -0.415 1.00 0.00 C ATOM 0 H PHE A 14 -6.000 -4.384 -4.613 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.731 -2.919 -6.423 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.222 -1.405 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.164 -2.838 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.031 -5.030 -3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.246 -0.992 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.734 -5.735 -1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.866 -1.668 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.613 -4.049 0.611 1.00 0.00 H new ATOM 107 N GLU A 15 -5.835 -1.341 -6.771 1.00 0.00 N ATOM 108 CA GLU A 15 -4.854 -0.335 -7.040 1.00 0.00 C ATOM 109 C GLU A 15 -5.371 1.017 -6.688 1.00 0.00 C ATOM 110 O GLU A 15 -5.745 1.816 -7.545 1.00 0.00 O ATOM 111 CB GLU A 15 -4.409 -0.388 -8.511 1.00 0.00 C ATOM 112 CG GLU A 15 -4.108 -1.791 -9.039 1.00 0.00 C ATOM 113 CD GLU A 15 -5.248 -2.438 -9.813 1.00 0.00 C ATOM 114 OE1 GLU A 15 -6.410 -2.438 -9.327 1.00 0.00 O ATOM 115 OE2 GLU A 15 -4.991 -2.966 -10.927 1.00 0.00 O ATOM 0 H GLU A 15 -6.422 -1.543 -7.580 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.983 -0.534 -6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.189 0.058 -9.128 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.518 0.228 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.231 -1.741 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.848 -2.433 -8.197 1.00 0.00 H new ATOM 122 N VAL A 16 -5.439 1.337 -5.383 1.00 0.00 N ATOM 123 CA VAL A 16 -6.063 2.510 -4.855 1.00 0.00 C ATOM 124 C VAL A 16 -5.204 3.727 -4.900 1.00 0.00 C ATOM 125 O VAL A 16 -4.153 3.752 -4.262 1.00 0.00 O ATOM 126 CB VAL A 16 -6.412 2.346 -3.405 1.00 0.00 C ATOM 127 CG1 VAL A 16 -7.475 3.397 -3.045 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.949 0.936 -3.112 1.00 0.00 C ATOM 0 H VAL A 16 -5.036 0.744 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.939 2.637 -5.491 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.514 2.484 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.745 3.297 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.075 4.395 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.360 3.245 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.192 0.852 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.846 0.758 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.191 0.197 -3.370 1.00 0.00 H new ATOM 138 N GLU A 17 -5.605 4.822 -5.568 1.00 0.00 N ATOM 139 CA GLU A 17 -4.905 6.064 -5.460 1.00 0.00 C ATOM 140 C GLU A 17 -5.584 7.014 -4.535 1.00 0.00 C ATOM 141 O GLU A 17 -6.796 7.219 -4.559 1.00 0.00 O ATOM 142 CB GLU A 17 -4.521 6.696 -6.809 1.00 0.00 C ATOM 143 CG GLU A 17 -5.513 7.639 -7.492 1.00 0.00 C ATOM 144 CD GLU A 17 -6.747 6.972 -8.085 1.00 0.00 C ATOM 145 OE1 GLU A 17 -6.820 5.721 -8.215 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.674 7.734 -8.471 1.00 0.00 O ATOM 0 H GLU A 17 -6.417 4.848 -6.185 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.947 5.816 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.591 7.245 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.306 5.884 -7.504 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.837 8.385 -6.766 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.992 8.173 -8.287 1.00 0.00 H new ATOM 153 N LEU A 18 -4.780 7.606 -3.634 1.00 0.00 N ATOM 154 CA LEU A 18 -5.179 8.590 -2.677 1.00 0.00 C ATOM 155 C LEU A 18 -3.976 9.445 -2.467 1.00 0.00 C ATOM 156 O LEU A 18 -2.931 9.201 -3.069 1.00 0.00 O ATOM 157 CB LEU A 18 -5.667 7.991 -1.347 1.00 0.00 C ATOM 158 CG LEU A 18 -4.904 6.765 -0.815 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.935 6.750 0.722 1.00 0.00 C ATOM 160 CD2 LEU A 18 -5.520 5.443 -1.303 1.00 0.00 C ATOM 0 H LEU A 18 -3.787 7.382 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.035 9.151 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.626 8.772 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.715 7.714 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.884 6.846 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.392 5.879 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.466 7.657 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.969 6.704 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.949 4.606 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.553 5.374 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.496 5.411 -2.392 1.00 0.00 H new ATOM 172 N ALA A 19 -4.052 10.492 -1.628 1.00 0.00 N ATOM 173 CA ALA A 19 -2.925 11.301 -1.281 1.00 0.00 C ATOM 174 C ALA A 19 -2.699 11.249 0.191 1.00 0.00 C ATOM 175 O ALA A 19 -3.633 11.084 0.973 1.00 0.00 O ATOM 176 CB ALA A 19 -3.107 12.748 -1.771 1.00 0.00 C ATOM 0 H ALA A 19 -4.920 10.784 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.042 10.903 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.234 13.339 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.218 12.754 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.998 13.178 -1.313 1.00 0.00 H new ATOM 182 N LYS A 20 -1.435 11.361 0.635 1.00 0.00 N ATOM 183 CA LYS A 20 -1.092 11.271 2.020 1.00 0.00 C ATOM 184 C LYS A 20 -1.128 12.588 2.716 1.00 0.00 C ATOM 185 O LYS A 20 -0.812 13.637 2.156 1.00 0.00 O ATOM 186 CB LYS A 20 0.252 10.565 2.268 1.00 0.00 C ATOM 187 CG LYS A 20 1.554 11.319 1.994 1.00 0.00 C ATOM 188 CD LYS A 20 1.863 11.501 0.507 1.00 0.00 C ATOM 189 CE LYS A 20 3.350 11.389 0.165 1.00 0.00 C ATOM 190 NZ LYS A 20 4.099 12.611 0.530 1.00 0.00 N ATOM 0 H LYS A 20 -0.636 11.517 0.021 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.872 10.647 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.269 10.250 3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.264 9.660 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.501 12.300 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.379 10.783 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.312 10.753 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.499 12.477 0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.778 10.533 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.463 11.201 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.941 12.350 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.392 13.110 -0.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.491 13.233 1.100 1.00 0.00 H new ATOM 204 N THR A 21 -1.514 12.576 4.004 1.00 0.00 N ATOM 205 CA THR A 21 -1.642 13.756 4.803 1.00 0.00 C ATOM 206 C THR A 21 -0.395 13.938 5.599 1.00 0.00 C ATOM 207 O THR A 21 -0.263 13.505 6.742 1.00 0.00 O ATOM 208 CB THR A 21 -2.922 13.789 5.583 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.008 14.892 6.473 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.180 12.513 6.403 1.00 0.00 C ATOM 0 H THR A 21 -1.744 11.718 4.506 1.00 0.00 H new ATOM 0 HA THR A 21 -1.735 14.634 4.164 1.00 0.00 H new ATOM 0 HB THR A 21 -3.682 13.880 4.806 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.863 14.861 6.951 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.123 12.610 6.940 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.231 11.654 5.734 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.369 12.369 7.117 1.00 0.00 H new ATOM 218 N ASP A 22 0.607 14.583 4.973 1.00 0.00 N ATOM 219 CA ASP A 22 1.918 14.815 5.493 1.00 0.00 C ATOM 220 C ASP A 22 2.651 13.591 5.923 1.00 0.00 C ATOM 221 O ASP A 22 2.828 13.329 7.112 1.00 0.00 O ATOM 222 CB ASP A 22 1.960 15.910 6.572 1.00 0.00 C ATOM 223 CG ASP A 22 1.553 17.236 5.945 1.00 0.00 C ATOM 224 OD1 ASP A 22 2.217 17.661 4.961 1.00 0.00 O ATOM 225 OD2 ASP A 22 0.580 17.870 6.434 1.00 0.00 O ATOM 0 H ASP A 22 0.490 14.969 4.036 1.00 0.00 H new ATOM 0 HA ASP A 22 2.467 15.190 4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.287 15.658 7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.962 15.985 6.995 1.00 0.00 H new ATOM 230 N GLY A 23 3.109 12.791 4.945 1.00 0.00 N ATOM 231 CA GLY A 23 3.814 11.563 5.145 1.00 0.00 C ATOM 232 C GLY A 23 3.088 10.568 5.984 1.00 0.00 C ATOM 233 O GLY A 23 3.636 10.069 6.966 1.00 0.00 O ATOM 0 H GLY A 23 2.980 13.014 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.025 11.116 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.775 11.781 5.611 1.00 0.00 H new ATOM 237 N SER A 24 1.814 10.296 5.647 1.00 0.00 N ATOM 238 CA SER A 24 0.927 9.540 6.475 1.00 0.00 C ATOM 239 C SER A 24 -0.278 9.259 5.645 1.00 0.00 C ATOM 240 O SER A 24 -1.177 10.083 5.477 1.00 0.00 O ATOM 241 CB SER A 24 0.531 10.230 7.791 1.00 0.00 C ATOM 242 OG SER A 24 -0.367 9.473 8.589 1.00 0.00 O ATOM 0 H SER A 24 1.390 10.611 4.775 1.00 0.00 H new ATOM 0 HA SER A 24 1.439 8.633 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.432 10.433 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.075 11.193 7.562 1.00 0.00 H new ATOM 0 HG SER A 24 -0.574 9.969 9.408 1.00 0.00 H new ATOM 248 N LEU A 25 -0.327 8.051 5.057 1.00 0.00 N ATOM 249 CA LEU A 25 -1.530 7.511 4.505 1.00 0.00 C ATOM 250 C LEU A 25 -2.355 7.077 5.667 1.00 0.00 C ATOM 251 O LEU A 25 -3.537 7.378 5.823 1.00 0.00 O ATOM 252 CB LEU A 25 -1.336 6.302 3.574 1.00 0.00 C ATOM 253 CG LEU A 25 0.078 6.029 3.033 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.099 4.647 2.359 1.00 0.00 C ATOM 255 CD2 LEU A 25 0.671 7.106 2.108 1.00 0.00 C ATOM 0 H LEU A 25 0.483 7.438 4.963 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.987 8.283 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.667 5.412 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.002 6.427 2.720 1.00 0.00 H new ATOM 0 HG LEU A 25 0.735 6.056 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.098 4.446 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.169 3.882 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.617 4.632 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.669 6.804 1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.032 7.226 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.732 8.053 2.645 1.00 0.00 H new ATOM 267 N GLY A 26 -1.689 6.361 6.592 1.00 0.00 N ATOM 268 CA GLY A 26 -2.236 6.001 7.863 1.00 0.00 C ATOM 269 C GLY A 26 -2.371 4.522 7.990 1.00 0.00 C ATOM 270 O GLY A 26 -3.399 4.017 8.438 1.00 0.00 O ATOM 0 H GLY A 26 -0.738 6.022 6.450 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.595 6.380 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.212 6.470 7.989 1.00 0.00 H new ATOM 274 N ILE A 27 -1.292 3.819 7.602 1.00 0.00 N ATOM 275 CA ILE A 27 -1.094 2.432 7.892 1.00 0.00 C ATOM 276 C ILE A 27 0.129 2.270 8.726 1.00 0.00 C ATOM 277 O ILE A 27 1.169 2.878 8.473 1.00 0.00 O ATOM 278 CB ILE A 27 -1.033 1.610 6.638 1.00 0.00 C ATOM 279 CG1 ILE A 27 0.043 2.120 5.666 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.444 1.652 6.026 1.00 0.00 C ATOM 281 CD1 ILE A 27 0.089 1.358 4.343 1.00 0.00 C ATOM 0 H ILE A 27 -0.529 4.232 7.066 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.949 2.062 8.457 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.741 0.583 6.858 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.137 3.175 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.018 2.051 6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.459 1.067 5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.160 1.234 6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.714 2.685 5.804 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.872 1.775 3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.300 0.306 4.536 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.872 1.448 3.837 1.00 0.00 H new ATOM 293 N SER A 28 0.034 1.446 9.785 1.00 0.00 N ATOM 294 CA SER A 28 1.149 0.947 10.527 1.00 0.00 C ATOM 295 C SER A 28 1.634 -0.324 9.922 1.00 0.00 C ATOM 296 O SER A 28 0.954 -1.349 9.958 1.00 0.00 O ATOM 297 CB SER A 28 0.898 0.610 12.007 1.00 0.00 C ATOM 298 OG SER A 28 0.578 1.774 12.757 1.00 0.00 O ATOM 0 H SER A 28 -0.862 1.113 10.140 1.00 0.00 H new ATOM 0 HA SER A 28 1.856 1.776 10.485 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.083 -0.110 12.085 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.784 0.136 12.429 1.00 0.00 H new ATOM 0 HG SER A 28 0.422 1.528 13.693 1.00 0.00 H new ATOM 304 N VAL A 29 2.850 -0.299 9.348 1.00 0.00 N ATOM 305 CA VAL A 29 3.366 -1.414 8.616 1.00 0.00 C ATOM 306 C VAL A 29 3.925 -2.536 9.421 1.00 0.00 C ATOM 307 O VAL A 29 4.552 -2.355 10.465 1.00 0.00 O ATOM 308 CB VAL A 29 4.356 -0.961 7.585 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.611 0.006 6.650 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.577 -0.311 8.259 1.00 0.00 C ATOM 0 H VAL A 29 3.481 0.501 9.392 1.00 0.00 H new ATOM 0 HA VAL A 29 2.485 -1.843 8.140 1.00 0.00 H new ATOM 0 HB VAL A 29 4.748 -1.798 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.293 0.365 5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.774 -0.513 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.237 0.853 7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.285 0.012 7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.254 0.551 8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.058 -1.035 8.917 1.00 0.00 H new ATOM 320 N THR A 30 3.731 -3.787 8.969 1.00 0.00 N ATOM 321 CA THR A 30 4.311 -4.967 9.533 1.00 0.00 C ATOM 322 C THR A 30 4.765 -5.860 8.429 1.00 0.00 C ATOM 323 O THR A 30 4.505 -5.629 7.249 1.00 0.00 O ATOM 324 CB THR A 30 3.405 -5.701 10.476 1.00 0.00 C ATOM 325 OG1 THR A 30 4.001 -6.821 11.113 1.00 0.00 O ATOM 326 CG2 THR A 30 2.141 -6.207 9.762 1.00 0.00 C ATOM 0 H THR A 30 3.136 -3.987 8.165 1.00 0.00 H new ATOM 0 HA THR A 30 5.158 -4.650 10.141 1.00 0.00 H new ATOM 0 HB THR A 30 3.167 -4.958 11.237 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.349 -7.243 11.711 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.507 -6.734 10.475 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.594 -5.360 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.425 -6.886 8.958 1.00 0.00 H new ATOM 334 N GLY A 31 5.496 -6.933 8.780 1.00 0.00 N ATOM 335 CA GLY A 31 6.025 -7.898 7.869 1.00 0.00 C ATOM 336 C GLY A 31 7.368 -7.521 7.343 1.00 0.00 C ATOM 337 O GLY A 31 8.255 -7.124 8.096 1.00 0.00 O ATOM 0 H GLY A 31 5.730 -7.137 9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.094 -8.864 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.334 -8.020 7.035 1.00 0.00 H new ATOM 341 N GLY A 32 7.560 -7.638 6.017 1.00 0.00 N ATOM 342 CA GLY A 32 8.766 -7.262 5.348 1.00 0.00 C ATOM 343 C GLY A 32 9.672 -8.420 5.109 1.00 0.00 C ATOM 344 O GLY A 32 9.670 -9.411 5.838 1.00 0.00 O ATOM 0 H GLY A 32 6.848 -8.008 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.518 -6.796 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.289 -6.513 5.943 1.00 0.00 H new ATOM 348 N VAL A 33 10.535 -8.320 4.082 1.00 0.00 N ATOM 349 CA VAL A 33 11.433 -9.347 3.651 1.00 0.00 C ATOM 350 C VAL A 33 12.385 -9.793 4.706 1.00 0.00 C ATOM 351 O VAL A 33 12.795 -10.952 4.755 1.00 0.00 O ATOM 352 CB VAL A 33 12.165 -8.950 2.403 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.268 -7.906 2.643 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.729 -10.191 1.692 1.00 0.00 C ATOM 0 H VAL A 33 10.610 -7.472 3.520 1.00 0.00 H new ATOM 0 HA VAL A 33 10.803 -10.208 3.427 1.00 0.00 H new ATOM 0 HB VAL A 33 11.432 -8.467 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.754 -7.667 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.828 -7.002 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 33 14.005 -8.308 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.257 -9.884 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.419 -10.709 2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.911 -10.860 1.425 1.00 0.00 H new ATOM 364 N ASN A 34 12.732 -8.899 5.649 1.00 0.00 N ATOM 365 CA ASN A 34 13.667 -9.188 6.693 1.00 0.00 C ATOM 366 C ASN A 34 13.052 -9.971 7.801 1.00 0.00 C ATOM 367 O ASN A 34 13.737 -10.561 8.636 1.00 0.00 O ATOM 368 CB ASN A 34 14.285 -7.880 7.214 1.00 0.00 C ATOM 369 CG ASN A 34 15.521 -8.162 8.055 1.00 0.00 C ATOM 370 OD1 ASN A 34 16.397 -8.924 7.647 1.00 0.00 O ATOM 371 ND2 ASN A 34 15.598 -7.555 9.269 1.00 0.00 N ATOM 0 H ASN A 34 12.354 -7.952 5.687 1.00 0.00 H new ATOM 0 HA ASN A 34 14.455 -9.813 6.274 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.550 -7.238 6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.551 -7.338 7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.401 -7.725 9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.853 -6.929 9.574 1.00 0.00 H new ATOM 378 N THR A 35 11.709 -10.025 7.852 1.00 0.00 N ATOM 379 CA THR A 35 10.966 -10.796 8.800 1.00 0.00 C ATOM 380 C THR A 35 10.696 -12.147 8.235 1.00 0.00 C ATOM 381 O THR A 35 10.503 -13.118 8.965 1.00 0.00 O ATOM 382 CB THR A 35 9.689 -10.090 9.151 1.00 0.00 C ATOM 383 OG1 THR A 35 9.982 -8.761 9.555 1.00 0.00 O ATOM 384 CG2 THR A 35 8.958 -10.759 10.326 1.00 0.00 C ATOM 0 H THR A 35 11.115 -9.508 7.204 1.00 0.00 H new ATOM 0 HA THR A 35 11.546 -10.912 9.715 1.00 0.00 H new ATOM 0 HB THR A 35 9.056 -10.123 8.264 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.403 -8.137 9.070 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.040 -10.212 10.542 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.714 -11.788 10.064 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.601 -10.752 11.206 1.00 0.00 H new ATOM 392 N SER A 36 10.713 -12.251 6.894 1.00 0.00 N ATOM 393 CA SER A 36 10.403 -13.393 6.091 1.00 0.00 C ATOM 394 C SER A 36 8.936 -13.651 6.056 1.00 0.00 C ATOM 395 O SER A 36 8.371 -14.303 6.934 1.00 0.00 O ATOM 396 CB SER A 36 11.173 -14.693 6.378 1.00 0.00 C ATOM 397 OG SER A 36 12.564 -14.529 6.150 1.00 0.00 O ATOM 0 H SER A 36 10.971 -11.451 6.316 1.00 0.00 H new ATOM 0 HA SER A 36 10.766 -13.095 5.107 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.005 -14.997 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.790 -15.493 5.744 1.00 0.00 H new ATOM 0 HG SER A 36 13.028 -15.370 6.342 1.00 0.00 H new ATOM 403 N VAL A 37 8.249 -13.108 5.036 1.00 0.00 N ATOM 404 CA VAL A 37 6.822 -13.050 4.971 1.00 0.00 C ATOM 405 C VAL A 37 6.329 -13.695 3.722 1.00 0.00 C ATOM 406 O VAL A 37 5.521 -13.131 2.986 1.00 0.00 O ATOM 407 CB VAL A 37 6.352 -11.627 5.052 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.510 -11.137 6.502 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.106 -10.691 4.093 1.00 0.00 C ATOM 0 H VAL A 37 8.706 -12.693 4.224 1.00 0.00 H new ATOM 0 HA VAL A 37 6.414 -13.596 5.822 1.00 0.00 H new ATOM 0 HB VAL A 37 5.306 -11.603 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.172 -10.103 6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.912 -11.762 7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.558 -11.198 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.722 -9.676 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.169 -10.703 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.963 -11.029 3.067 1.00 0.00 H new ATOM 419 N ARG A 38 6.825 -14.915 3.446 1.00 0.00 N ATOM 420 CA ARG A 38 6.534 -15.738 2.313 1.00 0.00 C ATOM 421 C ARG A 38 7.136 -15.235 1.046 1.00 0.00 C ATOM 422 O ARG A 38 7.869 -15.931 0.344 1.00 0.00 O ATOM 423 CB ARG A 38 5.033 -16.064 2.242 1.00 0.00 C ATOM 424 CG ARG A 38 4.667 -17.295 1.410 1.00 0.00 C ATOM 425 CD ARG A 38 3.265 -17.832 1.700 1.00 0.00 C ATOM 426 NE ARG A 38 2.297 -16.746 1.377 1.00 0.00 N ATOM 427 CZ ARG A 38 1.306 -16.792 0.440 1.00 0.00 C ATOM 428 NH1 ARG A 38 1.116 -17.844 -0.410 1.00 0.00 N ATOM 429 NH2 ARG A 38 0.500 -15.695 0.338 1.00 0.00 N ATOM 0 H ARG A 38 7.490 -15.364 4.075 1.00 0.00 H new ATOM 0 HA ARG A 38 7.037 -16.694 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.662 -16.209 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.510 -15.200 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.739 -17.043 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.396 -18.083 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.062 -18.719 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.176 -18.128 2.745 1.00 0.00 H new ATOM 0 HE ARG A 38 2.384 -15.881 1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.734 -18.654 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.356 -17.819 -1.090 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.653 -14.891 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.256 -15.679 -0.347 1.00 0.00 H new ATOM 443 N HIS A 39 6.895 -13.954 0.718 1.00 0.00 N ATOM 444 CA HIS A 39 7.670 -13.177 -0.200 1.00 0.00 C ATOM 445 C HIS A 39 8.323 -12.088 0.581 1.00 0.00 C ATOM 446 O HIS A 39 8.769 -12.305 1.706 1.00 0.00 O ATOM 447 CB HIS A 39 6.770 -12.691 -1.349 1.00 0.00 C ATOM 448 CG HIS A 39 7.472 -12.079 -2.525 1.00 0.00 C ATOM 449 ND1 HIS A 39 7.377 -10.715 -2.714 1.00 0.00 N ATOM 450 CD2 HIS A 39 8.173 -12.652 -3.539 1.00 0.00 C ATOM 451 CE1 HIS A 39 8.012 -10.481 -3.847 1.00 0.00 C ATOM 452 NE2 HIS A 39 8.520 -11.621 -4.388 1.00 0.00 N ATOM 0 H HIS A 39 6.115 -13.431 1.116 1.00 0.00 H new ATOM 0 HA HIS A 39 8.460 -13.754 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.180 -13.536 -1.704 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.069 -11.959 -0.949 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.410 -13.699 -3.656 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.116 -9.502 -4.291 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.054 -11.699 -5.254 1.00 0.00 H new ATOM 460 N GLY A 40 8.420 -10.860 0.043 1.00 0.00 N ATOM 461 CA GLY A 40 9.078 -9.772 0.698 1.00 0.00 C ATOM 462 C GLY A 40 8.375 -8.468 0.530 1.00 0.00 C ATOM 463 O GLY A 40 9.009 -7.441 0.300 1.00 0.00 O ATOM 0 H GLY A 40 8.032 -10.617 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.164 -9.996 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.092 -9.683 0.308 1.00 0.00 H new ATOM 467 N GLY A 41 7.036 -8.482 0.664 1.00 0.00 N ATOM 468 CA GLY A 41 6.216 -7.313 0.616 1.00 0.00 C ATOM 469 C GLY A 41 5.842 -6.838 1.978 1.00 0.00 C ATOM 470 O GLY A 41 6.291 -7.388 2.983 1.00 0.00 O ATOM 0 H GLY A 41 6.506 -9.341 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.746 -6.520 0.088 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.312 -7.527 0.046 1.00 0.00 H new ATOM 474 N ILE A 42 4.997 -5.795 2.068 1.00 0.00 N ATOM 475 CA ILE A 42 4.611 -5.237 3.327 1.00 0.00 C ATOM 476 C ILE A 42 3.169 -5.525 3.571 1.00 0.00 C ATOM 477 O ILE A 42 2.423 -5.896 2.667 1.00 0.00 O ATOM 478 CB ILE A 42 5.058 -3.822 3.542 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.510 -3.561 4.988 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.042 -2.717 3.201 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.815 -4.261 5.364 1.00 0.00 C ATOM 0 H ILE A 42 4.578 -5.334 1.260 1.00 0.00 H new ATOM 0 HA ILE A 42 5.165 -5.737 4.122 1.00 0.00 H new ATOM 0 HB ILE A 42 5.880 -3.753 2.829 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.630 -2.487 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.724 -3.888 5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.485 -1.741 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.771 -2.785 2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.149 -2.842 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.068 -4.028 6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.695 -5.339 5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.615 -3.916 4.709 1.00 0.00 H new ATOM 493 N TYR A 43 2.721 -5.476 4.838 1.00 0.00 N ATOM 494 CA TYR A 43 1.404 -5.881 5.221 1.00 0.00 C ATOM 495 C TYR A 43 0.956 -4.873 6.223 1.00 0.00 C ATOM 496 O TYR A 43 1.763 -4.175 6.832 1.00 0.00 O ATOM 497 CB TYR A 43 1.427 -7.261 5.900 1.00 0.00 C ATOM 498 CG TYR A 43 1.865 -8.358 4.991 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.194 -8.570 4.709 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.930 -9.211 4.455 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.579 -9.585 3.865 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.311 -10.260 3.652 1.00 0.00 C ATOM 503 CZ TYR A 43 2.639 -10.445 3.347 1.00 0.00 C ATOM 504 OH TYR A 43 3.037 -11.519 2.523 1.00 0.00 O ATOM 0 H TYR A 43 3.290 -5.146 5.618 1.00 0.00 H new ATOM 0 HA TYR A 43 0.751 -5.945 4.351 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.095 -7.224 6.761 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.431 -7.488 6.279 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.943 -7.933 5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.117 -9.055 4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.621 -9.707 3.609 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.567 -10.939 3.261 1.00 0.00 H new ATOM 0 HH TYR A 43 3.876 -11.897 2.861 1.00 0.00 H new ATOM 514 N VAL A 44 -0.361 -4.700 6.432 1.00 0.00 N ATOM 515 CA VAL A 44 -0.886 -3.838 7.445 1.00 0.00 C ATOM 516 C VAL A 44 -0.901 -4.529 8.765 1.00 0.00 C ATOM 517 O VAL A 44 -1.286 -5.694 8.862 1.00 0.00 O ATOM 518 CB VAL A 44 -2.312 -3.535 7.088 1.00 0.00 C ATOM 519 CG1 VAL A 44 -3.076 -2.813 8.211 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.356 -2.708 5.791 1.00 0.00 C ATOM 0 H VAL A 44 -1.080 -5.171 5.883 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.271 -2.941 7.508 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.816 -4.490 6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.100 -2.623 7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.086 -3.437 9.104 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.584 -1.866 8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.392 -2.489 5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.813 -1.774 5.936 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.893 -3.274 4.983 1.00 0.00 H new ATOM 530 N LYS A 45 -0.517 -3.835 9.851 1.00 0.00 N ATOM 531 CA LYS A 45 -0.773 -4.271 11.188 1.00 0.00 C ATOM 532 C LYS A 45 -1.949 -3.543 11.741 1.00 0.00 C ATOM 533 O LYS A 45 -2.906 -4.146 12.222 1.00 0.00 O ATOM 534 CB LYS A 45 0.447 -4.048 12.099 1.00 0.00 C ATOM 535 CG LYS A 45 0.729 -5.177 13.092 1.00 0.00 C ATOM 536 CD LYS A 45 -0.257 -5.285 14.257 1.00 0.00 C ATOM 537 CE LYS A 45 0.170 -6.243 15.371 1.00 0.00 C ATOM 538 NZ LYS A 45 0.205 -7.650 14.911 1.00 0.00 N ATOM 0 H LYS A 45 -0.016 -2.948 9.798 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.981 -5.341 11.156 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.328 -3.907 11.473 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.301 -3.123 12.656 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.731 -6.123 12.550 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.731 -5.040 13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.402 -4.293 14.685 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.223 -5.609 13.869 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.156 -5.957 15.737 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.520 -6.153 16.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.499 -8.265 15.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.742 -7.933 14.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.882 -7.742 14.127 1.00 0.00 H new ATOM 552 N ALA A 46 -1.917 -2.199 11.687 1.00 0.00 N ATOM 553 CA ALA A 46 -2.957 -1.358 12.196 1.00 0.00 C ATOM 554 C ALA A 46 -3.283 -0.264 11.239 1.00 0.00 C ATOM 555 O ALA A 46 -2.430 0.236 10.507 1.00 0.00 O ATOM 556 CB ALA A 46 -2.595 -0.788 13.577 1.00 0.00 C ATOM 0 H ALA A 46 -1.141 -1.680 11.275 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.846 -1.977 12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.407 -0.154 13.933 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.439 -1.607 14.279 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.682 -0.198 13.499 1.00 0.00 H new ATOM 562 N ILE A 47 -4.569 0.128 11.210 1.00 0.00 N ATOM 563 CA ILE A 47 -5.125 1.160 10.390 1.00 0.00 C ATOM 564 C ILE A 47 -5.518 2.311 11.250 1.00 0.00 C ATOM 565 O ILE A 47 -6.186 2.136 12.269 1.00 0.00 O ATOM 566 CB ILE A 47 -6.351 0.645 9.695 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.053 -0.548 8.771 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.064 1.744 8.890 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.042 -0.214 7.675 1.00 0.00 C ATOM 0 H ILE A 47 -5.272 -0.310 11.805 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.384 1.472 9.654 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.011 0.304 10.493 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.673 -1.377 9.368 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.982 -0.885 8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.945 1.325 8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.367 2.548 9.561 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.386 2.139 8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.873 -1.095 7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.430 0.595 7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.101 0.096 8.130 1.00 0.00 H new ATOM 581 N ILE A 48 -5.170 3.551 10.863 1.00 0.00 N ATOM 582 CA ILE A 48 -5.599 4.731 11.548 1.00 0.00 C ATOM 583 C ILE A 48 -7.031 5.020 11.256 1.00 0.00 C ATOM 584 O ILE A 48 -7.374 4.958 10.078 1.00 0.00 O ATOM 585 CB ILE A 48 -4.801 5.923 11.110 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.314 5.698 11.433 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.293 7.231 11.749 1.00 0.00 C ATOM 588 CD1 ILE A 48 -2.461 6.893 11.010 1.00 0.00 C ATOM 0 H ILE A 48 -4.576 3.738 10.055 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.457 4.551 12.613 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.935 6.028 10.033 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.195 5.526 12.503 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.962 4.800 10.924 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.680 8.061 11.397 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.332 7.404 11.470 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.216 7.157 12.834 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.416 6.699 11.254 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.560 7.049 9.936 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.797 7.785 11.539 1.00 0.00 H new ATOM 600 N PRO A 49 -7.901 5.329 12.173 1.00 0.00 N ATOM 601 CA PRO A 49 -9.270 5.647 11.891 1.00 0.00 C ATOM 602 C PRO A 49 -9.452 6.890 11.089 1.00 0.00 C ATOM 603 O PRO A 49 -9.469 7.995 11.630 1.00 0.00 O ATOM 604 CB PRO A 49 -9.957 5.715 13.253 1.00 0.00 C ATOM 605 CG PRO A 49 -8.824 6.026 14.243 1.00 0.00 C ATOM 606 CD PRO A 49 -7.629 5.301 13.602 1.00 0.00 C ATOM 0 HA PRO A 49 -9.715 4.884 11.252 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.724 6.489 13.272 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.449 4.773 13.496 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.648 7.098 14.338 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.041 5.649 15.243 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.690 5.803 13.836 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.544 4.278 13.969 1.00 0.00 H new ATOM 614 N LYS A 50 -9.583 6.714 9.762 1.00 0.00 N ATOM 615 CA LYS A 50 -9.910 7.697 8.777 1.00 0.00 C ATOM 616 C LYS A 50 -8.929 8.808 8.611 1.00 0.00 C ATOM 617 O LYS A 50 -9.306 9.974 8.513 1.00 0.00 O ATOM 618 CB LYS A 50 -11.354 8.208 8.919 1.00 0.00 C ATOM 619 CG LYS A 50 -12.426 7.138 8.700 1.00 0.00 C ATOM 620 CD LYS A 50 -12.622 6.756 7.232 1.00 0.00 C ATOM 621 CE LYS A 50 -13.540 5.555 6.995 1.00 0.00 C ATOM 622 NZ LYS A 50 -14.928 5.813 7.438 1.00 0.00 N ATOM 0 H LYS A 50 -9.446 5.795 9.341 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.837 7.150 7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.480 8.633 9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.513 9.016 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.157 6.246 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.373 7.497 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.028 7.616 6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.647 6.541 6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.540 5.304 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.146 4.689 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.512 4.972 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.934 6.026 8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.315 6.623 6.913 1.00 0.00 H new ATOM 636 N GLY A 51 -7.626 8.492 8.509 1.00 0.00 N ATOM 637 CA GLY A 51 -6.628 9.451 8.145 1.00 0.00 C ATOM 638 C GLY A 51 -6.608 9.719 6.680 1.00 0.00 C ATOM 639 O GLY A 51 -7.000 10.788 6.216 1.00 0.00 O ATOM 0 H GLY A 51 -7.259 7.556 8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.811 10.383 8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.649 9.090 8.459 1.00 0.00 H new ATOM 643 N ALA A 52 -6.154 8.730 5.889 1.00 0.00 N ATOM 644 CA ALA A 52 -6.247 8.756 4.462 1.00 0.00 C ATOM 645 C ALA A 52 -6.500 7.391 3.922 1.00 0.00 C ATOM 646 O ALA A 52 -7.403 7.197 3.109 1.00 0.00 O ATOM 647 CB ALA A 52 -5.002 9.383 3.811 1.00 0.00 C ATOM 0 H ALA A 52 -5.709 7.887 6.253 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.095 9.391 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.118 9.381 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.886 10.408 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.119 8.804 4.082 1.00 0.00 H new ATOM 653 N ALA A 53 -5.731 6.378 4.362 1.00 0.00 N ATOM 654 CA ALA A 53 -5.794 5.021 3.915 1.00 0.00 C ATOM 655 C ALA A 53 -7.027 4.277 4.295 1.00 0.00 C ATOM 656 O ALA A 53 -7.643 3.644 3.440 1.00 0.00 O ATOM 657 CB ALA A 53 -4.551 4.267 4.415 1.00 0.00 C ATOM 0 H ALA A 53 -5.018 6.518 5.078 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.824 5.071 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.593 3.231 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.654 4.742 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.524 4.293 5.504 1.00 0.00 H new ATOM 663 N GLU A 54 -7.510 4.358 5.548 1.00 0.00 N ATOM 664 CA GLU A 54 -8.787 3.818 5.898 1.00 0.00 C ATOM 665 C GLU A 54 -9.879 4.406 5.074 1.00 0.00 C ATOM 666 O GLU A 54 -10.849 3.750 4.696 1.00 0.00 O ATOM 667 CB GLU A 54 -9.204 4.026 7.364 1.00 0.00 C ATOM 668 CG GLU A 54 -10.450 3.198 7.683 1.00 0.00 C ATOM 669 CD GLU A 54 -10.949 3.110 9.119 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.160 2.838 10.064 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.193 3.197 9.292 1.00 0.00 O ATOM 0 H GLU A 54 -7.013 4.800 6.322 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.656 2.751 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.388 3.737 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.404 5.082 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.267 3.592 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.261 2.180 7.341 1.00 0.00 H new ATOM 678 N SER A 55 -9.700 5.693 4.725 1.00 0.00 N ATOM 679 CA SER A 55 -10.620 6.432 3.919 1.00 0.00 C ATOM 680 C SER A 55 -10.658 6.083 2.471 1.00 0.00 C ATOM 681 O SER A 55 -11.409 6.709 1.724 1.00 0.00 O ATOM 682 CB SER A 55 -10.421 7.952 4.044 1.00 0.00 C ATOM 683 OG SER A 55 -11.611 8.666 3.746 1.00 0.00 O ATOM 0 H SER A 55 -8.887 6.237 5.014 1.00 0.00 H new ATOM 0 HA SER A 55 -11.579 6.128 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.096 8.194 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.627 8.271 3.369 1.00 0.00 H new ATOM 0 HG SER A 55 -12.023 8.292 2.939 1.00 0.00 H new ATOM 689 N ASP A 56 -9.955 5.039 1.997 1.00 0.00 N ATOM 690 CA ASP A 56 -10.395 4.280 0.869 1.00 0.00 C ATOM 691 C ASP A 56 -11.678 3.631 1.258 1.00 0.00 C ATOM 692 O ASP A 56 -12.769 4.177 1.106 1.00 0.00 O ATOM 693 CB ASP A 56 -9.337 3.246 0.443 1.00 0.00 C ATOM 694 CG ASP A 56 -9.872 2.346 -0.662 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.218 2.875 -1.752 1.00 0.00 O ATOM 696 OD2 ASP A 56 -10.088 1.129 -0.415 1.00 0.00 O ATOM 0 H ASP A 56 -9.074 4.719 2.400 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.545 4.925 0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.440 3.759 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.047 2.641 1.302 1.00 0.00 H new ATOM 701 N GLY A 57 -11.585 2.426 1.849 1.00 0.00 N ATOM 702 CA GLY A 57 -12.731 1.780 2.410 1.00 0.00 C ATOM 703 C GLY A 57 -12.608 0.295 2.382 1.00 0.00 C ATOM 704 O GLY A 57 -13.274 -0.415 3.133 1.00 0.00 O ATOM 0 H GLY A 57 -10.716 1.899 1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.866 2.113 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.622 2.080 1.858 1.00 0.00 H new ATOM 708 N ARG A 58 -11.752 -0.237 1.493 1.00 0.00 N ATOM 709 CA ARG A 58 -11.469 -1.638 1.419 1.00 0.00 C ATOM 710 C ARG A 58 -10.388 -2.019 2.371 1.00 0.00 C ATOM 711 O ARG A 58 -10.435 -3.102 2.952 1.00 0.00 O ATOM 712 CB ARG A 58 -11.056 -2.002 -0.017 1.00 0.00 C ATOM 713 CG ARG A 58 -12.205 -1.943 -1.025 1.00 0.00 C ATOM 714 CD ARG A 58 -11.712 -1.827 -2.469 1.00 0.00 C ATOM 715 NE ARG A 58 -11.331 -0.403 -2.682 1.00 0.00 N ATOM 716 CZ ARG A 58 -11.939 0.414 -3.592 1.00 0.00 C ATOM 717 NH1 ARG A 58 -13.042 0.043 -4.306 1.00 0.00 N ATOM 718 NH2 ARG A 58 -11.514 1.702 -3.744 1.00 0.00 N ATOM 0 H ARG A 58 -11.243 0.320 0.807 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.369 -2.188 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.266 -1.324 -0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.634 -3.007 -0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.818 -2.838 -0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.844 -1.091 -0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.860 -2.485 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.492 -2.127 -3.169 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.574 -0.017 -2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.449 -0.882 -4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.459 0.691 -4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.742 2.055 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.968 2.312 -4.424 1.00 0.00 H new ATOM 732 N ILE A 59 -9.388 -1.146 2.583 1.00 0.00 N ATOM 733 CA ILE A 59 -8.283 -1.347 3.469 1.00 0.00 C ATOM 734 C ILE A 59 -8.698 -1.541 4.886 1.00 0.00 C ATOM 735 O ILE A 59 -9.416 -0.729 5.468 1.00 0.00 O ATOM 736 CB ILE A 59 -7.292 -0.222 3.408 1.00 0.00 C ATOM 737 CG1 ILE A 59 -6.986 0.180 1.956 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.002 -0.671 4.117 1.00 0.00 C ATOM 739 CD1 ILE A 59 -5.901 1.248 1.830 1.00 0.00 C ATOM 0 H ILE A 59 -9.349 -0.245 2.107 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.811 -2.265 3.117 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.714 0.652 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.678 -0.706 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.900 0.547 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.269 0.135 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.224 -0.916 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.598 -1.550 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.740 1.480 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.215 2.149 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.973 0.877 2.266 1.00 0.00 H new ATOM 751 N HIS A 60 -8.251 -2.660 5.484 1.00 0.00 N ATOM 752 CA HIS A 60 -8.546 -3.033 6.833 1.00 0.00 C ATOM 753 C HIS A 60 -7.330 -3.623 7.461 1.00 0.00 C ATOM 754 O HIS A 60 -6.255 -3.679 6.867 1.00 0.00 O ATOM 755 CB HIS A 60 -9.726 -4.019 6.853 1.00 0.00 C ATOM 756 CG HIS A 60 -10.929 -3.549 7.616 1.00 0.00 C ATOM 757 ND1 HIS A 60 -11.798 -4.491 8.129 1.00 0.00 N ATOM 758 CD2 HIS A 60 -11.363 -2.294 7.904 1.00 0.00 C ATOM 759 CE1 HIS A 60 -12.748 -3.795 8.725 1.00 0.00 C ATOM 760 NE2 HIS A 60 -12.528 -2.456 8.625 1.00 0.00 N ATOM 0 H HIS A 60 -7.656 -3.336 5.005 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.835 -2.154 7.409 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.024 -4.227 5.825 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.386 -4.961 7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.893 -1.362 7.626 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.596 -4.234 9.230 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -13.113 -1.714 9.010 1.00 0.00 H new ATOM 768 N LYS A 61 -7.431 -4.091 8.718 1.00 0.00 N ATOM 769 CA LYS A 61 -6.334 -4.685 9.419 1.00 0.00 C ATOM 770 C LYS A 61 -6.078 -6.076 8.951 1.00 0.00 C ATOM 771 O LYS A 61 -6.633 -7.046 9.465 1.00 0.00 O ATOM 772 CB LYS A 61 -6.602 -4.693 10.934 1.00 0.00 C ATOM 773 CG LYS A 61 -6.494 -3.318 11.595 1.00 0.00 C ATOM 774 CD LYS A 61 -7.040 -3.250 13.023 1.00 0.00 C ATOM 775 CE LYS A 61 -6.561 -4.347 13.978 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.230 -4.212 15.290 1.00 0.00 N ATOM 0 H LYS A 61 -8.294 -4.056 9.260 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.450 -4.083 9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.600 -5.093 11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.896 -5.371 11.413 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.447 -3.017 11.606 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.028 -2.592 10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.771 -2.283 13.448 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.128 -3.286 12.977 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.774 -5.328 13.553 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.480 -4.282 14.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.896 -4.962 15.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.006 -3.283 15.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.259 -4.296 15.165 1.00 0.00 H new ATOM 790 N GLY A 62 -5.220 -6.238 7.929 1.00 0.00 N ATOM 791 CA GLY A 62 -4.888 -7.532 7.420 1.00 0.00 C ATOM 792 C GLY A 62 -4.367 -7.544 6.024 1.00 0.00 C ATOM 793 O GLY A 62 -3.724 -8.513 5.625 1.00 0.00 O ATOM 0 H GLY A 62 -4.753 -5.467 7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.142 -7.983 8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.776 -8.163 7.466 1.00 0.00 H new ATOM 797 N ASP A 63 -4.636 -6.503 5.216 1.00 0.00 N ATOM 798 CA ASP A 63 -4.327 -6.509 3.820 1.00 0.00 C ATOM 799 C ASP A 63 -2.878 -6.490 3.473 1.00 0.00 C ATOM 800 O ASP A 63 -2.004 -6.070 4.228 1.00 0.00 O ATOM 801 CB ASP A 63 -5.062 -5.380 3.078 1.00 0.00 C ATOM 802 CG ASP A 63 -6.565 -5.544 3.258 1.00 0.00 C ATOM 803 OD1 ASP A 63 -7.147 -6.549 2.769 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.182 -4.691 3.949 1.00 0.00 O ATOM 0 H ASP A 63 -5.076 -5.641 5.538 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.687 -7.481 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.743 -4.411 3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.808 -5.402 2.018 1.00 0.00 H new ATOM 809 N ARG A 64 -2.589 -7.007 2.264 1.00 0.00 N ATOM 810 CA ARG A 64 -1.291 -7.335 1.763 1.00 0.00 C ATOM 811 C ARG A 64 -0.877 -6.318 0.755 1.00 0.00 C ATOM 812 O ARG A 64 -1.483 -6.183 -0.307 1.00 0.00 O ATOM 813 CB ARG A 64 -1.395 -8.756 1.184 1.00 0.00 C ATOM 814 CG ARG A 64 -0.134 -9.400 0.604 1.00 0.00 C ATOM 815 CD ARG A 64 0.106 -9.164 -0.889 1.00 0.00 C ATOM 816 NE ARG A 64 1.401 -9.811 -1.237 1.00 0.00 N ATOM 817 CZ ARG A 64 1.540 -11.083 -1.713 1.00 0.00 C ATOM 818 NH1 ARG A 64 0.490 -11.900 -2.016 1.00 0.00 N ATOM 819 NH2 ARG A 64 2.800 -11.558 -1.933 1.00 0.00 N ATOM 0 H ARG A 64 -3.323 -7.211 1.585 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.523 -7.322 2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.769 -9.409 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.151 -8.740 0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.729 -9.026 1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.184 -10.475 0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.706 -9.587 -1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.138 -8.097 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 64 2.251 -9.261 -1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.467 -11.569 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.662 -12.842 -2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.609 -10.966 -1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.933 -12.505 -2.288 1.00 0.00 H new ATOM 833 N VAL A 65 0.178 -5.533 1.037 1.00 0.00 N ATOM 834 CA VAL A 65 0.660 -4.481 0.197 1.00 0.00 C ATOM 835 C VAL A 65 1.715 -5.030 -0.700 1.00 0.00 C ATOM 836 O VAL A 65 2.787 -5.432 -0.247 1.00 0.00 O ATOM 837 CB VAL A 65 1.269 -3.343 0.960 1.00 0.00 C ATOM 838 CG1 VAL A 65 1.307 -2.082 0.081 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.537 -3.074 2.285 1.00 0.00 C ATOM 0 H VAL A 65 0.722 -5.637 1.894 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.201 -4.098 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 65 2.289 -3.624 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.751 -1.260 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.904 -2.277 -0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.293 -1.814 -0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.014 -2.241 2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.505 -2.826 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.582 -3.964 2.913 1.00 0.00 H new ATOM 849 N LEU A 66 1.463 -5.101 -2.019 1.00 0.00 N ATOM 850 CA LEU A 66 2.413 -5.605 -2.962 1.00 0.00 C ATOM 851 C LEU A 66 3.167 -4.526 -3.661 1.00 0.00 C ATOM 852 O LEU A 66 4.335 -4.725 -3.988 1.00 0.00 O ATOM 853 CB LEU A 66 1.804 -6.612 -3.952 1.00 0.00 C ATOM 854 CG LEU A 66 0.525 -6.208 -4.704 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.486 -6.900 -6.077 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.731 -6.592 -3.905 1.00 0.00 C ATOM 0 H LEU A 66 0.583 -4.803 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 66 3.140 -6.158 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.565 -6.851 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.593 -7.531 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 66 0.537 -5.126 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.422 -6.610 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.356 -6.600 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.496 -7.981 -5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.621 -6.295 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.746 -7.670 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.718 -6.084 -2.941 1.00 0.00 H new ATOM 868 N ALA A 67 2.570 -3.344 -3.899 1.00 0.00 N ATOM 869 CA ALA A 67 3.293 -2.300 -4.557 1.00 0.00 C ATOM 870 C ALA A 67 2.800 -0.943 -4.188 1.00 0.00 C ATOM 871 O ALA A 67 1.689 -0.787 -3.682 1.00 0.00 O ATOM 872 CB ALA A 67 3.244 -2.481 -6.083 1.00 0.00 C ATOM 0 H ALA A 67 1.610 -3.114 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 67 4.326 -2.375 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.800 -1.676 -6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.689 -3.439 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.207 -2.456 -6.419 1.00 0.00 H new ATOM 878 N VAL A 68 3.622 0.101 -4.401 1.00 0.00 N ATOM 879 CA VAL A 68 3.261 1.454 -4.116 1.00 0.00 C ATOM 880 C VAL A 68 3.711 2.336 -5.230 1.00 0.00 C ATOM 881 O VAL A 68 4.879 2.269 -5.609 1.00 0.00 O ATOM 882 CB VAL A 68 3.886 1.976 -2.856 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.244 3.320 -2.473 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.739 0.974 -1.697 1.00 0.00 C ATOM 0 H VAL A 68 4.563 0.000 -4.782 1.00 0.00 H new ATOM 0 HA VAL A 68 2.178 1.462 -3.997 1.00 0.00 H new ATOM 0 HB VAL A 68 4.950 2.119 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.702 3.694 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.400 4.040 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.175 3.180 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.203 1.384 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.682 0.790 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.228 0.037 -1.962 1.00 0.00 H new ATOM 894 N ASN A 69 2.855 3.176 -5.838 1.00 0.00 N ATOM 895 CA ASN A 69 3.164 3.971 -6.986 1.00 0.00 C ATOM 896 C ASN A 69 3.639 3.197 -8.167 1.00 0.00 C ATOM 897 O ASN A 69 4.384 3.694 -9.010 1.00 0.00 O ATOM 898 CB ASN A 69 4.128 5.129 -6.678 1.00 0.00 C ATOM 899 CG ASN A 69 3.446 6.136 -5.764 1.00 0.00 C ATOM 900 OD1 ASN A 69 2.255 6.037 -5.474 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.205 7.173 -5.317 1.00 0.00 N ATOM 0 H ASN A 69 1.898 3.307 -5.512 1.00 0.00 H new ATOM 0 HA ASN A 69 2.200 4.397 -7.264 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.031 4.746 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 69 4.436 5.614 -7.604 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.788 7.893 -4.726 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.191 7.231 -5.573 1.00 0.00 H new ATOM 908 N GLY A 70 3.230 1.921 -8.282 1.00 0.00 N ATOM 909 CA GLY A 70 3.721 1.012 -9.270 1.00 0.00 C ATOM 910 C GLY A 70 5.100 0.521 -8.997 1.00 0.00 C ATOM 911 O GLY A 70 5.782 0.025 -9.893 1.00 0.00 O ATOM 0 H GLY A 70 2.532 1.507 -7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.046 0.158 -9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.705 1.503 -10.243 1.00 0.00 H new ATOM 915 N VAL A 71 5.564 0.644 -7.741 1.00 0.00 N ATOM 916 CA VAL A 71 6.866 0.244 -7.303 1.00 0.00 C ATOM 917 C VAL A 71 6.663 -0.893 -6.361 1.00 0.00 C ATOM 918 O VAL A 71 6.254 -0.741 -5.211 1.00 0.00 O ATOM 919 CB VAL A 71 7.675 1.321 -6.640 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.088 0.807 -6.318 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.759 2.522 -7.596 1.00 0.00 C ATOM 0 H VAL A 71 5.001 1.044 -6.991 1.00 0.00 H new ATOM 0 HA VAL A 71 7.449 -0.025 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 71 7.199 1.617 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.663 1.599 -5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.020 -0.050 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.585 0.507 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.344 3.316 -7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.238 2.214 -8.525 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.755 2.888 -7.809 1.00 0.00 H new ATOM 931 N SER A 72 6.908 -2.115 -6.865 1.00 0.00 N ATOM 932 CA SER A 72 6.770 -3.332 -6.127 1.00 0.00 C ATOM 933 C SER A 72 7.647 -3.436 -4.926 1.00 0.00 C ATOM 934 O SER A 72 8.826 -3.087 -4.932 1.00 0.00 O ATOM 935 CB SER A 72 6.989 -4.567 -7.018 1.00 0.00 C ATOM 936 OG SER A 72 6.414 -5.729 -6.436 1.00 0.00 O ATOM 0 H SER A 72 7.215 -2.261 -7.827 1.00 0.00 H new ATOM 0 HA SER A 72 5.742 -3.305 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.549 -4.393 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.057 -4.724 -7.171 1.00 0.00 H new ATOM 0 HG SER A 72 5.803 -5.466 -5.716 1.00 0.00 H new ATOM 942 N LEU A 73 7.071 -3.952 -3.827 1.00 0.00 N ATOM 943 CA LEU A 73 7.768 -4.324 -2.634 1.00 0.00 C ATOM 944 C LEU A 73 8.248 -5.721 -2.829 1.00 0.00 C ATOM 945 O LEU A 73 7.602 -6.691 -2.435 1.00 0.00 O ATOM 946 CB LEU A 73 6.819 -4.242 -1.426 1.00 0.00 C ATOM 947 CG LEU A 73 6.285 -2.832 -1.122 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.964 -2.908 -0.338 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.283 -1.998 -0.301 1.00 0.00 C ATOM 0 H LEU A 73 6.067 -4.119 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 73 8.606 -3.655 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.973 -4.906 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.341 -4.616 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 73 6.129 -2.349 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.604 -1.900 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.222 -3.446 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.129 -3.432 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.862 -1.011 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.480 -2.497 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.215 -1.894 -0.857 1.00 0.00 H new ATOM 961 N GLU A 74 9.389 -5.885 -3.521 1.00 0.00 N ATOM 962 CA GLU A 74 9.877 -7.152 -3.969 1.00 0.00 C ATOM 963 C GLU A 74 11.096 -7.537 -3.203 1.00 0.00 C ATOM 964 O GLU A 74 12.096 -8.049 -3.703 1.00 0.00 O ATOM 965 CB GLU A 74 10.104 -7.098 -5.489 1.00 0.00 C ATOM 966 CG GLU A 74 10.270 -8.475 -6.133 1.00 0.00 C ATOM 967 CD GLU A 74 10.167 -8.422 -7.651 1.00 0.00 C ATOM 968 OE1 GLU A 74 10.938 -7.659 -8.293 1.00 0.00 O ATOM 969 OE2 GLU A 74 9.316 -9.169 -8.204 1.00 0.00 O ATOM 0 H GLU A 74 9.995 -5.106 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 74 9.141 -7.933 -3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.262 -6.587 -5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.992 -6.501 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.238 -8.890 -5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.508 -9.150 -5.743 1.00 0.00 H new ATOM 976 N GLY A 75 11.039 -7.292 -1.882 1.00 0.00 N ATOM 977 CA GLY A 75 12.165 -7.354 -1.004 1.00 0.00 C ATOM 978 C GLY A 75 12.295 -6.048 -0.300 1.00 0.00 C ATOM 979 O GLY A 75 13.342 -5.404 -0.347 1.00 0.00 O ATOM 0 H GLY A 75 10.172 -7.040 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.037 -8.161 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.072 -7.571 -1.568 1.00 0.00 H new ATOM 983 N ALA A 76 11.218 -5.614 0.380 1.00 0.00 N ATOM 984 CA ALA A 76 11.216 -4.435 1.189 1.00 0.00 C ATOM 985 C ALA A 76 11.100 -4.840 2.618 1.00 0.00 C ATOM 986 O ALA A 76 10.425 -5.806 2.969 1.00 0.00 O ATOM 987 CB ALA A 76 10.077 -3.477 0.800 1.00 0.00 C ATOM 0 H ALA A 76 10.321 -6.099 0.366 1.00 0.00 H new ATOM 0 HA ALA A 76 12.149 -3.894 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.110 -2.594 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.194 -3.177 -0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.119 -3.980 0.927 1.00 0.00 H new ATOM 993 N THR A 77 11.811 -4.134 3.515 1.00 0.00 N ATOM 994 CA THR A 77 11.896 -4.408 4.917 1.00 0.00 C ATOM 995 C THR A 77 10.912 -3.564 5.651 1.00 0.00 C ATOM 996 O THR A 77 10.031 -2.957 5.045 1.00 0.00 O ATOM 997 CB THR A 77 13.265 -4.087 5.438 1.00 0.00 C ATOM 998 OG1 THR A 77 13.626 -2.728 5.244 1.00 0.00 O ATOM 999 CG2 THR A 77 14.322 -4.893 4.663 1.00 0.00 C ATOM 0 H THR A 77 12.362 -3.320 3.243 1.00 0.00 H new ATOM 0 HA THR A 77 11.686 -5.467 5.069 1.00 0.00 H new ATOM 0 HB THR A 77 13.234 -4.323 6.502 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.525 -2.574 5.603 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.314 -4.655 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.131 -5.959 4.788 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.271 -4.637 3.605 1.00 0.00 H new ATOM 1007 N HIS A 78 11.048 -3.420 6.981 1.00 0.00 N ATOM 1008 CA HIS A 78 10.356 -2.411 7.720 1.00 0.00 C ATOM 1009 C HIS A 78 10.743 -1.042 7.279 1.00 0.00 C ATOM 1010 O HIS A 78 9.890 -0.228 6.931 1.00 0.00 O ATOM 1011 CB HIS A 78 10.590 -2.540 9.234 1.00 0.00 C ATOM 1012 CG HIS A 78 9.976 -1.468 10.086 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.279 -1.355 11.418 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.168 -0.417 9.782 1.00 0.00 C ATOM 1015 CE1 HIS A 78 9.709 -0.268 11.902 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.027 0.314 10.932 1.00 0.00 N ATOM 0 H HIS A 78 11.648 -4.014 7.553 1.00 0.00 H new ATOM 0 HA HIS A 78 9.296 -2.564 7.517 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.201 -3.504 9.561 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.665 -2.551 9.416 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.854 -2.008 11.951 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.724 -0.201 8.821 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.787 0.086 12.919 1.00 0.00 H new ATOM 1025 N LYS A 79 12.049 -0.719 7.283 1.00 0.00 N ATOM 1026 CA LYS A 79 12.532 0.571 6.898 1.00 0.00 C ATOM 1027 C LYS A 79 12.357 0.880 5.452 1.00 0.00 C ATOM 1028 O LYS A 79 11.932 1.981 5.105 1.00 0.00 O ATOM 1029 CB LYS A 79 14.010 0.750 7.290 1.00 0.00 C ATOM 1030 CG LYS A 79 14.210 1.004 8.785 1.00 0.00 C ATOM 1031 CD LYS A 79 15.667 1.351 9.097 1.00 0.00 C ATOM 1032 CE LYS A 79 15.901 1.968 10.477 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.622 0.996 11.558 1.00 0.00 N ATOM 0 H LYS A 79 12.785 -1.368 7.560 1.00 0.00 H new ATOM 0 HA LYS A 79 11.913 1.280 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.566 -0.142 7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.430 1.583 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.562 1.819 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.915 0.119 9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.267 0.445 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.030 2.044 8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.932 2.313 10.553 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.263 2.843 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.790 1.445 12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.631 0.686 11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.249 0.172 11.455 1.00 0.00 H new ATOM 1047 N GLN A 80 12.638 -0.078 4.549 1.00 0.00 N ATOM 1048 CA GLN A 80 12.444 0.103 3.144 1.00 0.00 C ATOM 1049 C GLN A 80 11.017 0.302 2.764 1.00 0.00 C ATOM 1050 O GLN A 80 10.711 1.242 2.032 1.00 0.00 O ATOM 1051 CB GLN A 80 13.043 -1.082 2.368 1.00 0.00 C ATOM 1052 CG GLN A 80 13.532 -0.656 0.982 1.00 0.00 C ATOM 1053 CD GLN A 80 13.808 -1.843 0.070 1.00 0.00 C ATOM 1054 OE1 GLN A 80 13.143 -2.027 -0.949 1.00 0.00 O ATOM 1055 NE2 GLN A 80 14.803 -2.694 0.438 1.00 0.00 N ATOM 0 H GLN A 80 13.007 -0.995 4.800 1.00 0.00 H new ATOM 0 HA GLN A 80 12.965 1.022 2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.873 -1.506 2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.294 -1.867 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 80 12.784 -0.012 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.441 -0.064 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.338 -2.516 1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.014 -3.510 -0.136 1.00 0.00 H new ATOM 1064 N ALA A 81 10.074 -0.511 3.272 1.00 0.00 N ATOM 1065 CA ALA A 81 8.682 -0.343 2.991 1.00 0.00 C ATOM 1066 C ALA A 81 8.106 0.944 3.471 1.00 0.00 C ATOM 1067 O ALA A 81 7.255 1.532 2.805 1.00 0.00 O ATOM 1068 CB ALA A 81 7.857 -1.477 3.621 1.00 0.00 C ATOM 0 H ALA A 81 10.281 -1.298 3.888 1.00 0.00 H new ATOM 0 HA ALA A 81 8.623 -0.353 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.801 -1.328 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.184 -2.434 3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.000 -1.474 4.702 1.00 0.00 H new ATOM 1074 N VAL A 82 8.581 1.455 4.622 1.00 0.00 N ATOM 1075 CA VAL A 82 8.251 2.765 5.090 1.00 0.00 C ATOM 1076 C VAL A 82 8.586 3.802 4.075 1.00 0.00 C ATOM 1077 O VAL A 82 7.710 4.565 3.669 1.00 0.00 O ATOM 1078 CB VAL A 82 8.892 3.090 6.407 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.944 4.596 6.711 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.091 2.381 7.513 1.00 0.00 C ATOM 0 H VAL A 82 9.210 0.944 5.242 1.00 0.00 H new ATOM 0 HA VAL A 82 7.173 2.769 5.250 1.00 0.00 H new ATOM 0 HB VAL A 82 9.926 2.748 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.420 4.756 7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.518 5.104 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.931 4.998 6.735 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.537 2.601 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.060 2.734 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.108 1.305 7.342 1.00 0.00 H new ATOM 1090 N GLU A 83 9.831 3.856 3.567 1.00 0.00 N ATOM 1091 CA GLU A 83 10.229 4.812 2.581 1.00 0.00 C ATOM 1092 C GLU A 83 9.569 4.648 1.254 1.00 0.00 C ATOM 1093 O GLU A 83 9.316 5.634 0.564 1.00 0.00 O ATOM 1094 CB GLU A 83 11.751 4.773 2.366 1.00 0.00 C ATOM 1095 CG GLU A 83 12.564 5.304 3.548 1.00 0.00 C ATOM 1096 CD GLU A 83 14.064 5.108 3.377 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.504 4.313 2.505 1.00 0.00 O ATOM 1098 OE2 GLU A 83 14.833 5.721 4.163 1.00 0.00 O ATOM 0 H GLU A 83 10.578 3.221 3.848 1.00 0.00 H new ATOM 0 HA GLU A 83 9.908 5.771 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.052 3.745 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.997 5.357 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.355 6.366 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.240 4.802 4.459 1.00 0.00 H new ATOM 1105 N THR A 84 9.214 3.413 0.857 1.00 0.00 N ATOM 1106 CA THR A 84 8.434 3.106 -0.302 1.00 0.00 C ATOM 1107 C THR A 84 7.081 3.728 -0.254 1.00 0.00 C ATOM 1108 O THR A 84 6.505 4.079 -1.282 1.00 0.00 O ATOM 1109 CB THR A 84 8.358 1.631 -0.560 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.664 1.083 -0.671 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.680 1.245 -1.886 1.00 0.00 C ATOM 0 H THR A 84 9.488 2.579 1.377 1.00 0.00 H new ATOM 0 HA THR A 84 8.956 3.550 -1.149 1.00 0.00 H new ATOM 0 HB THR A 84 7.778 1.251 0.281 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.095 1.083 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.670 0.160 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.656 1.619 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.232 1.682 -2.718 1.00 0.00 H new ATOM 1119 N LEU A 85 6.513 3.950 0.945 1.00 0.00 N ATOM 1120 CA LEU A 85 5.336 4.742 1.123 1.00 0.00 C ATOM 1121 C LEU A 85 5.623 6.191 1.318 1.00 0.00 C ATOM 1122 O LEU A 85 4.989 7.050 0.707 1.00 0.00 O ATOM 1123 CB LEU A 85 4.543 4.275 2.354 1.00 0.00 C ATOM 1124 CG LEU A 85 4.170 2.782 2.351 1.00 0.00 C ATOM 1125 CD1 LEU A 85 3.884 2.287 3.780 1.00 0.00 C ATOM 1126 CD2 LEU A 85 2.985 2.431 1.436 1.00 0.00 C ATOM 0 H LEU A 85 6.883 3.568 1.815 1.00 0.00 H new ATOM 0 HA LEU A 85 4.766 4.611 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.129 4.487 3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.628 4.864 2.425 1.00 0.00 H new ATOM 0 HG LEU A 85 5.041 2.269 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.623 1.229 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.771 2.426 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.055 2.855 4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.787 1.361 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.101 2.981 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.226 2.702 0.408 1.00 0.00 H new ATOM 1138 N ARG A 86 6.582 6.547 2.192 1.00 0.00 N ATOM 1139 CA ARG A 86 6.705 7.861 2.741 1.00 0.00 C ATOM 1140 C ARG A 86 7.514 8.856 1.982 1.00 0.00 C ATOM 1141 O ARG A 86 7.267 10.057 2.066 1.00 0.00 O ATOM 1142 CB ARG A 86 7.002 7.801 4.249 1.00 0.00 C ATOM 1143 CG ARG A 86 8.392 7.502 4.813 1.00 0.00 C ATOM 1144 CD ARG A 86 9.488 8.541 4.564 1.00 0.00 C ATOM 1145 NE ARG A 86 9.219 9.768 5.365 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.185 10.714 5.555 1.00 0.00 C ATOM 1147 NH1 ARG A 86 11.384 10.638 4.907 1.00 0.00 N ATOM 1148 NH2 ARG A 86 9.965 11.745 6.423 1.00 0.00 N ATOM 0 H ARG A 86 7.295 5.899 2.527 1.00 0.00 H new ATOM 0 HA ARG A 86 5.717 8.303 2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.701 8.764 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.331 7.051 4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.297 7.364 5.890 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.727 6.552 4.398 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.460 8.128 4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.530 8.791 3.504 1.00 0.00 H new ATOM 0 HE ARG A 86 8.297 9.904 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.570 9.865 4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.094 11.354 5.062 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.081 11.807 6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.685 12.453 6.567 1.00 0.00 H new ATOM 1162 N ASN A 87 8.513 8.415 1.196 1.00 0.00 N ATOM 1163 CA ASN A 87 9.404 9.268 0.472 1.00 0.00 C ATOM 1164 C ASN A 87 8.884 9.658 -0.869 1.00 0.00 C ATOM 1165 O ASN A 87 9.607 10.122 -1.749 1.00 0.00 O ATOM 1166 CB ASN A 87 10.796 8.626 0.351 1.00 0.00 C ATOM 1167 CG ASN A 87 11.785 9.242 1.330 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.627 9.196 2.549 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.875 9.842 0.781 1.00 0.00 N ATOM 0 H ASN A 87 8.708 7.423 1.059 1.00 0.00 H new ATOM 0 HA ASN A 87 9.486 10.188 1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.720 7.554 0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.167 8.749 -0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.581 10.265 1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.986 9.869 -0.233 1.00 0.00 H new ATOM 1176 N THR A 88 7.558 9.511 -1.044 1.00 0.00 N ATOM 1177 CA THR A 88 6.797 9.734 -2.235 1.00 0.00 C ATOM 1178 C THR A 88 6.347 11.150 -2.335 1.00 0.00 C ATOM 1179 O THR A 88 6.484 11.935 -1.398 1.00 0.00 O ATOM 1180 CB THR A 88 5.632 8.790 -2.270 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.783 8.959 -1.145 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.161 7.347 -2.216 1.00 0.00 C ATOM 0 H THR A 88 6.963 9.206 -0.274 1.00 0.00 H new ATOM 0 HA THR A 88 7.434 9.541 -3.098 1.00 0.00 H new ATOM 0 HB THR A 88 5.072 8.994 -3.182 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.040 8.325 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.323 6.651 -2.241 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.809 7.165 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.727 7.201 -1.296 1.00 0.00 H new ATOM 1190 N GLY A 89 5.790 11.559 -3.489 1.00 0.00 N ATOM 1191 CA GLY A 89 5.383 12.907 -3.734 1.00 0.00 C ATOM 1192 C GLY A 89 4.126 13.325 -3.052 1.00 0.00 C ATOM 1193 O GLY A 89 4.149 13.842 -1.936 1.00 0.00 O ATOM 0 H GLY A 89 5.618 10.932 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.186 13.574 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.257 13.042 -4.808 1.00 0.00 H new ATOM 1197 N GLN A 90 2.962 13.146 -3.699 1.00 0.00 N ATOM 1198 CA GLN A 90 1.694 13.517 -3.152 1.00 0.00 C ATOM 1199 C GLN A 90 0.737 12.379 -3.246 1.00 0.00 C ATOM 1200 O GLN A 90 0.212 11.916 -2.235 1.00 0.00 O ATOM 1201 CB GLN A 90 1.137 14.775 -3.841 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.143 15.349 -3.230 1.00 0.00 C ATOM 1203 CD GLN A 90 0.056 15.796 -1.788 1.00 0.00 C ATOM 1204 OE1 GLN A 90 1.165 16.048 -1.321 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -1.071 15.904 -1.034 1.00 0.00 N ATOM 0 H GLN A 90 2.900 12.732 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 90 1.833 13.760 -2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.905 15.548 -3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.945 14.540 -4.888 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.480 16.196 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.931 14.597 -3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.981 15.690 -1.443 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.006 16.199 -0.060 1.00 0.00 H new ATOM 1214 N VAL A 91 0.497 11.856 -4.462 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.285 10.679 -4.678 1.00 0.00 C ATOM 1216 C VAL A 91 0.450 9.460 -4.236 1.00 0.00 C ATOM 1217 O VAL A 91 1.643 9.292 -4.483 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.722 10.520 -6.104 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.337 9.144 -6.409 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.757 11.623 -6.385 1.00 0.00 C ATOM 0 H VAL A 91 0.859 12.266 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.184 10.800 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 91 0.156 10.601 -6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.630 9.101 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.603 8.364 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.214 8.990 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.103 11.544 -7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.604 11.508 -5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.299 12.600 -6.230 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.275 8.560 -3.549 1.00 0.00 N ATOM 1231 CA VAL A 92 0.169 7.236 -3.241 1.00 0.00 C ATOM 1232 C VAL A 92 -0.821 6.291 -3.829 1.00 0.00 C ATOM 1233 O VAL A 92 -1.965 6.193 -3.386 1.00 0.00 O ATOM 1234 CB VAL A 92 0.366 7.050 -1.766 1.00 0.00 C ATOM 1235 CG1 VAL A 92 0.762 5.595 -1.461 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.501 7.994 -1.336 1.00 0.00 C ATOM 0 H VAL A 92 -1.209 8.763 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 92 1.150 7.041 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.555 7.271 -1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.902 5.474 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.026 4.924 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.691 5.355 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.676 7.889 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.411 7.740 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.222 9.024 -1.558 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.422 5.567 -4.889 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.166 4.489 -5.464 1.00 0.00 C ATOM 1248 C HIS A 93 -0.857 3.231 -4.729 1.00 0.00 C ATOM 1249 O HIS A 93 0.190 2.629 -4.960 1.00 0.00 O ATOM 1250 CB HIS A 93 -0.832 4.218 -6.941 1.00 0.00 C ATOM 1251 CG HIS A 93 -0.947 5.371 -7.894 1.00 0.00 C ATOM 1252 ND1 HIS A 93 0.116 6.230 -8.085 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -1.956 5.677 -8.753 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.275 7.069 -9.027 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -1.525 6.773 -9.473 1.00 0.00 N ATOM 0 H HIS A 93 0.461 5.741 -5.368 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.213 4.785 -5.392 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.188 3.838 -6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.487 3.421 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -2.902 5.166 -8.852 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.324 7.888 -9.397 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.044 7.266 -10.200 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.728 2.736 -3.831 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.463 1.534 -3.104 1.00 0.00 C ATOM 1265 C LEU A 94 -1.931 0.347 -3.873 1.00 0.00 C ATOM 1266 O LEU A 94 -3.121 0.206 -4.150 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.161 1.452 -1.735 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.556 2.358 -0.651 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.625 2.716 0.395 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.302 1.705 -0.046 1.00 0.00 C ATOM 0 H LEU A 94 -2.622 3.173 -3.608 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.384 1.544 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.212 1.712 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.128 0.420 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.227 3.298 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.186 3.358 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.448 3.240 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.999 1.804 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.115 2.359 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.570 0.747 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.439 1.545 -0.829 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.026 -0.587 -4.217 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.416 -1.857 -4.747 1.00 0.00 C ATOM 1284 C LEU A 95 -1.576 -2.816 -3.618 1.00 0.00 C ATOM 1285 O LEU A 95 -0.611 -3.373 -3.094 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.388 -2.365 -5.773 1.00 0.00 C ATOM 1287 CG LEU A 95 -1.042 -2.954 -7.034 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.058 -3.490 -7.964 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.095 -4.032 -6.730 1.00 0.00 C ATOM 0 H LEU A 95 -0.018 -0.461 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.366 -1.759 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.268 -1.543 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.239 -3.125 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.590 -2.153 -7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.397 -3.910 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.727 -2.676 -8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.625 -4.265 -7.448 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.515 -4.404 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.628 -4.855 -6.190 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.890 -3.603 -6.120 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.843 -2.979 -3.198 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.283 -3.825 -2.132 1.00 0.00 C ATOM 1303 C LEU A 96 -3.864 -5.086 -2.675 1.00 0.00 C ATOM 1304 O LEU A 96 -4.512 -5.092 -3.721 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.407 -3.142 -1.338 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.933 -1.964 -0.469 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.709 -0.680 -0.806 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -4.091 -2.338 1.014 1.00 0.00 C ATOM 0 H LEU A 96 -3.617 -2.481 -3.637 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.417 -4.027 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.165 -2.784 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.887 -3.882 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.882 -1.764 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.353 0.136 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.553 -0.425 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.772 -0.840 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.757 -1.508 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.139 -2.552 1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.490 -3.220 1.233 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.673 -6.202 -1.950 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.359 -7.439 -2.161 1.00 0.00 C ATOM 1322 C GLU A 97 -5.137 -7.777 -0.935 1.00 0.00 C ATOM 1323 O GLU A 97 -4.725 -7.507 0.191 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.362 -8.569 -2.468 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.962 -9.921 -2.859 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.841 -10.883 -3.229 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -2.142 -11.385 -2.310 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.658 -11.156 -4.445 1.00 0.00 O ATOM 0 H GLU A 97 -3.007 -6.244 -1.178 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.030 -7.332 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.710 -8.238 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.732 -8.716 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.545 -10.326 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.644 -9.799 -3.700 1.00 0.00 H new ATOM 1335 N LYS A 98 -6.322 -8.378 -1.146 1.00 0.00 N ATOM 1336 CA LYS A 98 -7.302 -8.667 -0.145 1.00 0.00 C ATOM 1337 C LYS A 98 -6.886 -9.653 0.892 1.00 0.00 C ATOM 1338 O LYS A 98 -6.599 -10.813 0.604 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.561 -9.197 -0.851 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.877 -8.947 -0.112 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.349 -7.510 -0.338 1.00 0.00 C ATOM 1342 CE LYS A 98 -11.688 -7.180 0.325 1.00 0.00 C ATOM 1343 NZ LYS A 98 -12.132 -5.856 -0.162 1.00 0.00 N ATOM 0 H LYS A 98 -6.613 -8.681 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.471 -7.734 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.625 -8.739 -1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.447 -10.270 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.637 -9.646 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.743 -9.129 0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.590 -6.826 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.433 -7.331 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.429 -7.942 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.583 -7.170 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.042 -5.612 0.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.423 -5.138 0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.243 -5.886 -1.196 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.876 -9.239 2.172 1.00 0.00 N ATOM 1358 CA GLY A 99 -6.578 -10.083 3.286 1.00 0.00 C ATOM 1359 C GLY A 99 -7.744 -10.881 3.760 1.00 0.00 C ATOM 1360 O GLY A 99 -8.132 -10.808 4.925 1.00 0.00 O ATOM 0 H GLY A 99 -7.084 -8.277 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.771 -10.763 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.211 -9.469 4.108 1.00 0.00 H new ATOM 1364 N GLN A 100 -8.340 -11.675 2.853 1.00 0.00 N ATOM 1365 CA GLN A 100 -9.435 -12.563 3.093 1.00 0.00 C ATOM 1366 C GLN A 100 -9.191 -13.822 2.335 1.00 0.00 C ATOM 1367 O GLN A 100 -8.412 -13.845 1.383 1.00 0.00 O ATOM 1368 CB GLN A 100 -10.787 -11.931 2.722 1.00 0.00 C ATOM 1369 CG GLN A 100 -11.186 -10.798 3.670 1.00 0.00 C ATOM 1370 CD GLN A 100 -12.521 -10.156 3.325 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -12.583 -8.996 2.918 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -13.637 -10.906 3.528 1.00 0.00 N ATOM 0 H GLN A 100 -8.033 -11.697 1.881 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.493 -12.780 4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -10.737 -11.547 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.559 -12.700 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.231 -11.186 4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.410 -10.033 3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.553 -11.865 3.866 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.558 -10.510 3.342 1.00 0.00 H new ATOM 1381 N VAL A 101 -9.825 -14.939 2.736 1.00 0.00 N ATOM 1382 CA VAL A 101 -9.646 -16.242 2.176 1.00 0.00 C ATOM 1383 C VAL A 101 -10.915 -16.722 1.559 1.00 0.00 C ATOM 1384 O VAL A 101 -11.942 -16.067 1.732 1.00 0.00 O ATOM 1385 CB VAL A 101 -9.153 -17.207 3.214 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -7.714 -16.831 3.605 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -10.064 -17.253 4.452 1.00 0.00 C ATOM 0 H VAL A 101 -10.504 -14.930 3.498 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.889 -16.179 1.394 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.170 -18.209 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.348 -17.528 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.073 -16.880 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.699 -15.819 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.663 -17.966 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.109 -16.264 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.066 -17.562 4.155 1.00 0.00 H new ATOM 1397 N PRO A 102 -10.951 -17.807 0.845 1.00 0.00 N ATOM 1398 CA PRO A 102 -12.170 -18.484 0.509 1.00 0.00 C ATOM 1399 C PRO A 102 -12.879 -19.058 1.687 1.00 0.00 C ATOM 1400 O PRO A 102 -12.292 -19.899 2.420 1.00 0.00 O ATOM 1401 CB PRO A 102 -11.752 -19.606 -0.438 1.00 0.00 C ATOM 1402 CG PRO A 102 -10.456 -19.096 -1.089 1.00 0.00 C ATOM 1403 CD PRO A 102 -9.827 -18.276 0.050 1.00 0.00 C ATOM 1404 OXT PRO A 102 -14.071 -18.716 1.914 1.00 0.00 O ATOM 0 HA PRO A 102 -12.875 -17.779 0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.585 -20.539 0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.521 -19.802 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.810 -19.914 -1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.655 -18.485 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.149 -18.886 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.245 -17.441 -0.340 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 10.970 -2.762 16.855 1.00 0.00 N ATOM 1414 CA TYR B 205 9.985 -1.740 17.028 1.00 0.00 C ATOM 1415 C TYR B 205 8.786 -2.066 16.206 1.00 0.00 C ATOM 1416 O TYR B 205 7.662 -2.004 16.704 1.00 0.00 O ATOM 1417 CB TYR B 205 10.574 -0.355 16.709 1.00 0.00 C ATOM 1418 CG TYR B 205 9.820 0.766 17.338 1.00 0.00 C ATOM 1419 CD1 TYR B 205 8.572 1.115 16.879 1.00 0.00 C ATOM 1420 CD2 TYR B 205 10.362 1.488 18.376 1.00 0.00 C ATOM 1421 CE1 TYR B 205 7.868 2.143 17.459 1.00 0.00 C ATOM 1422 CE2 TYR B 205 9.675 2.531 18.951 1.00 0.00 C ATOM 1423 CZ TYR B 205 8.418 2.857 18.497 1.00 0.00 C ATOM 1424 OH TYR B 205 7.666 3.899 19.081 1.00 0.00 O ATOM 0 HA TYR B 205 9.669 -1.701 18.070 1.00 0.00 H new ATOM 0 HB2 TYR B 205 11.610 -0.322 17.047 1.00 0.00 H new ATOM 0 HB3 TYR B 205 10.587 -0.214 15.628 1.00 0.00 H new ATOM 0 HD1 TYR B 205 8.139 0.574 16.051 1.00 0.00 H new ATOM 0 HD2 TYR B 205 11.344 1.231 18.746 1.00 0.00 H new ATOM 0 HE1 TYR B 205 6.880 2.390 17.098 1.00 0.00 H new ATOM 0 HE2 TYR B 205 10.121 3.093 19.758 1.00 0.00 H new ATOM 0 HH TYR B 205 8.185 4.312 19.803 1.00 0.00 H new ATOM 1434 N LEU B 206 8.986 -2.410 14.921 1.00 0.00 N ATOM 1435 CA LEU B 206 7.984 -2.635 13.927 1.00 0.00 C ATOM 1436 C LEU B 206 7.218 -1.394 13.620 1.00 0.00 C ATOM 1437 O LEU B 206 7.720 -0.291 13.826 1.00 0.00 O ATOM 1438 CB LEU B 206 7.116 -3.853 14.284 1.00 0.00 C ATOM 1439 CG LEU B 206 6.329 -4.597 13.191 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.255 -5.096 12.070 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.654 -5.787 13.894 1.00 0.00 C ATOM 0 H LEU B 206 9.927 -2.541 14.549 1.00 0.00 H new ATOM 0 HA LEU B 206 8.475 -2.893 12.988 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.767 -4.583 14.765 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.395 -3.526 15.034 1.00 0.00 H new ATOM 0 HG LEU B 206 5.602 -3.935 12.719 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.665 -5.617 11.316 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.762 -4.247 11.612 1.00 0.00 H new ATOM 0 HD13 LEU B 206 7.995 -5.779 12.487 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.076 -6.359 13.168 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.416 -6.428 14.337 1.00 0.00 H new ATOM 0 HD23 LEU B 206 4.990 -5.419 14.676 1.00 0.00 H new ATOM 1453 N VAL B 207 5.988 -1.522 13.090 1.00 0.00 N ATOM 1454 CA VAL B 207 4.893 -0.602 13.086 1.00 0.00 C ATOM 1455 C VAL B 207 5.176 0.860 13.116 1.00 0.00 C ATOM 1456 O VAL B 207 5.478 1.474 14.139 1.00 0.00 O ATOM 1457 CB VAL B 207 3.767 -0.990 13.997 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.050 -2.207 13.390 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.255 -1.285 15.426 1.00 0.00 C ATOM 0 H VAL B 207 5.734 -2.382 12.604 1.00 0.00 H new ATOM 0 HA VAL B 207 4.559 -0.732 12.057 1.00 0.00 H new ATOM 0 HB VAL B 207 3.073 -0.154 14.082 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.226 -2.505 14.039 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.661 -1.946 12.406 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.754 -3.034 13.294 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.406 -1.562 16.051 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.972 -2.106 15.404 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.734 -0.397 15.838 1.00 0.00 H new ATOM 1469 N THR B 208 5.067 1.474 11.925 1.00 0.00 N ATOM 1470 CA THR B 208 5.332 2.861 11.696 1.00 0.00 C ATOM 1471 C THR B 208 4.152 3.309 10.905 1.00 0.00 C ATOM 1472 O THR B 208 3.873 2.705 9.870 1.00 0.00 O ATOM 1473 CB THR B 208 6.551 3.096 10.853 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.724 2.654 11.518 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.760 4.579 10.502 1.00 0.00 C ATOM 0 H THR B 208 4.780 0.979 11.080 1.00 0.00 H new ATOM 0 HA THR B 208 5.499 3.379 12.640 1.00 0.00 H new ATOM 0 HB THR B 208 6.380 2.530 9.937 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.142 1.935 11.000 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.657 4.686 9.891 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.897 4.947 9.947 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.875 5.157 11.419 1.00 0.00 H new ATOM 1483 N SER B 209 3.437 4.338 11.394 1.00 0.00 N ATOM 1484 CA SER B 209 2.390 5.027 10.707 1.00 0.00 C ATOM 1485 C SER B 209 2.949 5.941 9.671 1.00 0.00 C ATOM 1486 O SER B 209 3.730 6.842 9.973 1.00 0.00 O ATOM 1487 CB SER B 209 1.461 5.825 11.638 1.00 0.00 C ATOM 1488 OG SER B 209 2.166 6.707 12.500 1.00 0.00 O ATOM 0 H SER B 209 3.602 4.712 12.329 1.00 0.00 H new ATOM 0 HA SER B 209 1.787 4.249 10.239 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.757 6.399 11.035 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.873 5.131 12.239 1.00 0.00 H new ATOM 0 HG SER B 209 2.994 6.998 12.064 1.00 0.00 H new ATOM 1494 N VAL B 210 2.579 5.718 8.397 1.00 0.00 N ATOM 1495 CA VAL B 210 3.112 6.403 7.261 1.00 0.00 C ATOM 1496 C VAL B 210 2.049 6.298 6.176 1.00 0.00 C ATOM 1497 O VAL B 210 0.985 5.654 6.370 1.00 0.00 O ATOM 1498 CB VAL B 210 4.423 5.920 6.718 1.00 0.00 C ATOM 1499 CG1 VAL B 210 5.563 6.685 7.412 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.561 4.392 6.837 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.254 6.980 5.136 1.00 0.00 O ATOM 0 H VAL B 210 1.873 5.025 8.148 1.00 0.00 H new ATOM 0 HA VAL B 210 3.341 7.417 7.588 1.00 0.00 H new ATOM 0 HB VAL B 210 4.476 6.128 5.649 1.00 0.00 H new ATOM 0 HG11 VAL B 210 6.521 6.341 7.024 1.00 0.00 H new ATOM 0 HG12 VAL B 210 5.455 7.752 7.219 1.00 0.00 H new ATOM 0 HG13 VAL B 210 5.521 6.505 8.486 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.524 4.081 6.433 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.497 4.101 7.886 1.00 0.00 H new ATOM 0 HG23 VAL B 210 3.760 3.910 6.277 1.00 0.00 H new TER 1511 VAL B 210