USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 747 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= -0.174 X(o=-0.17,f=0) USER MOD Set 2.1: A 29 MET CE :methyl -120:sc= -1.24 (180deg=-1.41) USER MOD Set 2.2: A 70 SER OG : rot 98:sc= 1.23 USER MOD Single : A 1 MET CE :methyl -141:sc= -4.77! (180deg=-8.4!) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.147 (180deg=-1.53!) USER MOD Single : A 4 LYS NZ :NH3+ 137:sc= -0.242 (180deg=-3.43!) USER MOD Single : A 7 ASN : amide:sc= 0.455 K(o=0.45,f=-0.092) USER MOD Single : A 8 CYS SG : rot 83:sc= 0.829 USER MOD Single : A 11 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.061) USER MOD Single : A 12 HIS : no HD1:sc= -3.29 X(o=-3.3,f=-3!) USER MOD Single : A 18 LYS NZ :NH3+ -116:sc= 1.15 (180deg=-0.0841) USER MOD Single : A 21 LYS NZ :NH3+ -110:sc= 0.603 (180deg=-0.26) USER MOD Single : A 22 THR OG1 : rot 117:sc= 1.15 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 26 MET CE :methyl -134:sc= -3.93! (180deg=-8.31!) USER MOD Single : A 28 HIS : no HD1:sc= 0.386 K(o=0.39,f=-6.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -80:sc= 1.22 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 0.862 (180deg=0.497) USER MOD Single : A 45 ASN : amide:sc= 0.576 K(o=0.58,f=-0.18) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.47! C(o=-2.5!,f=-3.8!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.28) USER MOD Single : A 55 MET CE :methyl -152:sc= -0.503 (180deg=-0.941) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -162:sc= -7.43! (180deg=-8.82!) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.0811 (180deg=-0.446) USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= 1.21 (180deg=-0.0485) USER MOD Single : A 65 ASN : amide:sc= -0.0146 K(o=-0.015,f=-2.6) USER MOD Single : A 67 SER OG : rot -114:sc= -1.78! USER MOD Single : A 68 TYR OH : rot 180:sc= -2.11 USER MOD Single : A 73 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.7!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N MET A 1 5.693 -7.634 -9.486 1.00 0.00 N ATOM 62 CA MET A 1 5.329 -6.456 -10.238 1.00 0.00 C ATOM 63 C MET A 1 6.241 -6.349 -11.442 1.00 0.00 C ATOM 64 O MET A 1 7.343 -6.899 -11.445 1.00 0.00 O ATOM 65 CB MET A 1 5.456 -5.218 -9.353 1.00 0.00 C ATOM 66 CG MET A 1 4.989 -3.931 -10.006 1.00 0.00 C ATOM 67 SD MET A 1 5.147 -2.524 -8.902 1.00 0.00 S ATOM 68 CE MET A 1 4.135 -3.056 -7.520 1.00 0.00 C ATOM 0 H1 MET A 1 4.929 -8.337 -9.550 1.00 0.00 H new ATOM 0 H2 MET A 1 6.568 -8.038 -9.876 1.00 0.00 H new ATOM 0 H3 MET A 1 5.844 -7.377 -8.490 1.00 0.00 H new ATOM 0 HA MET A 1 4.295 -6.528 -10.575 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.881 -5.378 -8.441 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.499 -5.103 -9.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.571 -3.750 -10.910 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.948 -4.036 -10.313 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.571 -2.207 -7.134 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.443 -3.830 -7.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.775 -3.455 -6.733 1.00 0.00 H new ATOM 78 N ASP A 2 5.784 -5.654 -12.457 1.00 0.00 N ATOM 79 CA ASP A 2 6.570 -5.491 -13.669 1.00 0.00 C ATOM 80 C ASP A 2 7.663 -4.457 -13.442 1.00 0.00 C ATOM 81 O ASP A 2 7.413 -3.391 -12.888 1.00 0.00 O ATOM 82 CB ASP A 2 5.667 -5.117 -14.853 1.00 0.00 C ATOM 83 CG ASP A 2 6.373 -5.231 -16.187 1.00 0.00 C ATOM 84 OD1 ASP A 2 7.234 -4.383 -16.486 1.00 0.00 O ATOM 85 OD2 ASP A 2 6.074 -6.182 -16.944 1.00 0.00 O ATOM 0 H ASP A 2 4.875 -5.191 -12.473 1.00 0.00 H new ATOM 0 HA ASP A 2 7.049 -6.438 -13.916 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.790 -5.765 -14.854 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.309 -4.096 -14.723 1.00 0.00 H new ATOM 90 N ALA A 3 8.880 -4.797 -13.843 1.00 0.00 N ATOM 91 CA ALA A 3 10.021 -3.915 -13.660 1.00 0.00 C ATOM 92 C ALA A 3 9.884 -2.644 -14.487 1.00 0.00 C ATOM 93 O ALA A 3 10.308 -1.584 -14.054 1.00 0.00 O ATOM 94 CB ALA A 3 11.315 -4.640 -13.995 1.00 0.00 C ATOM 0 H ALA A 3 9.102 -5.682 -14.299 1.00 0.00 H new ATOM 0 HA ALA A 3 10.049 -3.622 -12.611 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.158 -3.964 -13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.428 -5.504 -13.340 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.288 -4.972 -15.033 1.00 0.00 H new ATOM 100 N LYS A 4 9.269 -2.740 -15.659 1.00 0.00 N ATOM 101 CA LYS A 4 9.073 -1.563 -16.500 1.00 0.00 C ATOM 102 C LYS A 4 7.988 -0.680 -15.884 1.00 0.00 C ATOM 103 O LYS A 4 8.052 0.549 -15.945 1.00 0.00 O ATOM 104 CB LYS A 4 8.698 -1.973 -17.927 1.00 0.00 C ATOM 105 CG LYS A 4 8.737 -0.830 -18.933 1.00 0.00 C ATOM 106 CD LYS A 4 7.407 -0.683 -19.649 1.00 0.00 C ATOM 107 CE LYS A 4 7.540 0.106 -20.945 1.00 0.00 C ATOM 108 NZ LYS A 4 6.246 0.188 -21.684 1.00 0.00 N ATOM 0 H LYS A 4 8.901 -3.609 -16.047 1.00 0.00 H new ATOM 0 HA LYS A 4 10.004 -0.999 -16.554 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.378 -2.758 -18.259 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.696 -2.402 -17.919 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.982 0.100 -18.421 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.527 -1.010 -19.662 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.001 -1.671 -19.866 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.695 -0.183 -18.992 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.895 1.112 -20.722 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.291 -0.364 -21.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.112 1.155 -22.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.259 -0.479 -22.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.464 -0.054 -21.043 1.00 0.00 H new ATOM 122 N ALA A 5 7.016 -1.330 -15.253 1.00 0.00 N ATOM 123 CA ALA A 5 5.923 -0.655 -14.566 1.00 0.00 C ATOM 124 C ALA A 5 6.461 0.024 -13.321 1.00 0.00 C ATOM 125 O ALA A 5 6.379 1.244 -13.164 1.00 0.00 O ATOM 126 CB ALA A 5 4.882 -1.706 -14.186 1.00 0.00 C ATOM 0 H ALA A 5 6.965 -2.348 -15.204 1.00 0.00 H new ATOM 0 HA ALA A 5 5.469 0.100 -15.208 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.051 -1.225 -13.669 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.514 -2.196 -15.087 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.337 -2.448 -13.530 1.00 0.00 H new ATOM 132 N ARG A 6 7.023 -0.793 -12.447 1.00 0.00 N ATOM 133 CA ARG A 6 7.584 -0.324 -11.195 1.00 0.00 C ATOM 134 C ARG A 6 8.654 0.748 -11.407 1.00 0.00 C ATOM 135 O ARG A 6 8.833 1.636 -10.573 1.00 0.00 O ATOM 136 CB ARG A 6 8.153 -1.513 -10.434 1.00 0.00 C ATOM 137 CG ARG A 6 8.461 -1.210 -8.987 1.00 0.00 C ATOM 138 CD ARG A 6 8.852 -2.472 -8.245 1.00 0.00 C ATOM 139 NE ARG A 6 10.064 -3.090 -8.789 1.00 0.00 N ATOM 140 CZ ARG A 6 10.680 -4.142 -8.247 1.00 0.00 C ATOM 141 NH1 ARG A 6 10.296 -4.606 -7.062 1.00 0.00 N ATOM 142 NH2 ARG A 6 11.711 -4.690 -8.870 1.00 0.00 N ATOM 0 H ARG A 6 7.103 -1.800 -12.587 1.00 0.00 H new ATOM 0 HA ARG A 6 6.789 0.143 -10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.442 -2.338 -10.481 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.064 -1.849 -10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.270 -0.482 -8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.590 -0.758 -8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 6 9.009 -2.237 -7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.031 -3.187 -8.293 1.00 0.00 H new ATOM 0 HE ARG A 6 10.463 -2.690 -9.638 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.528 -4.157 -6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.770 -5.411 -6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.031 -4.308 -9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.186 -5.494 -8.460 1.00 0.00 H new ATOM 156 N ASN A 7 9.355 0.674 -12.526 1.00 0.00 N ATOM 157 CA ASN A 7 10.384 1.648 -12.833 1.00 0.00 C ATOM 158 C ASN A 7 9.770 2.950 -13.289 1.00 0.00 C ATOM 159 O ASN A 7 10.143 3.992 -12.809 1.00 0.00 O ATOM 160 CB ASN A 7 11.355 1.127 -13.889 1.00 0.00 C ATOM 161 CG ASN A 7 12.648 0.598 -13.283 1.00 0.00 C ATOM 162 OD1 ASN A 7 13.371 1.326 -12.608 1.00 0.00 O ATOM 163 ND2 ASN A 7 12.940 -0.677 -13.511 1.00 0.00 N ATOM 0 H ASN A 7 9.229 -0.049 -13.234 1.00 0.00 H new ATOM 0 HA ASN A 7 10.947 1.825 -11.916 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.874 0.333 -14.460 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.588 1.928 -14.591 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.790 -1.083 -13.120 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.314 -1.250 -14.077 1.00 0.00 H new ATOM 170 N CYS A 8 8.805 2.897 -14.185 1.00 0.00 N ATOM 171 CA CYS A 8 8.148 4.121 -14.645 1.00 0.00 C ATOM 172 C CYS A 8 7.538 4.863 -13.468 1.00 0.00 C ATOM 173 O CYS A 8 7.309 6.074 -13.525 1.00 0.00 O ATOM 174 CB CYS A 8 7.083 3.779 -15.675 1.00 0.00 C ATOM 175 SG CYS A 8 7.750 3.220 -17.252 1.00 0.00 S ATOM 0 H CYS A 8 8.457 2.037 -14.609 1.00 0.00 H new ATOM 0 HA CYS A 8 8.888 4.771 -15.112 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.435 3.002 -15.269 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.460 4.657 -15.845 1.00 0.00 H new ATOM 0 HG CYS A 8 8.028 1.952 -17.180 1.00 0.00 H new ATOM 181 N LEU A 9 7.322 4.118 -12.397 1.00 0.00 N ATOM 182 CA LEU A 9 6.788 4.640 -11.164 1.00 0.00 C ATOM 183 C LEU A 9 7.883 5.318 -10.343 1.00 0.00 C ATOM 184 O LEU A 9 7.806 6.511 -10.057 1.00 0.00 O ATOM 185 CB LEU A 9 6.164 3.481 -10.366 1.00 0.00 C ATOM 186 CG LEU A 9 6.100 3.669 -8.861 1.00 0.00 C ATOM 187 CD1 LEU A 9 5.093 4.741 -8.486 1.00 0.00 C ATOM 188 CD2 LEU A 9 5.755 2.354 -8.187 1.00 0.00 C ATOM 0 H LEU A 9 7.518 3.118 -12.366 1.00 0.00 H new ATOM 0 HA LEU A 9 6.028 5.388 -11.388 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.152 3.315 -10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.732 2.575 -10.575 1.00 0.00 H new ATOM 0 HG LEU A 9 7.080 3.997 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.069 4.854 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.382 5.687 -8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.104 4.452 -8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.711 2.499 -7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.787 2.004 -8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.519 1.613 -8.423 1.00 0.00 H new ATOM 200 N LEU A 10 8.886 4.550 -9.947 1.00 0.00 N ATOM 201 CA LEU A 10 9.969 5.077 -9.120 1.00 0.00 C ATOM 202 C LEU A 10 10.975 5.945 -9.897 1.00 0.00 C ATOM 203 O LEU A 10 11.605 6.830 -9.318 1.00 0.00 O ATOM 204 CB LEU A 10 10.667 3.912 -8.435 1.00 0.00 C ATOM 205 CG LEU A 10 9.888 3.259 -7.292 1.00 0.00 C ATOM 206 CD1 LEU A 10 10.438 1.876 -7.003 1.00 0.00 C ATOM 207 CD2 LEU A 10 9.966 4.111 -6.042 1.00 0.00 C ATOM 0 H LEU A 10 8.976 3.562 -10.182 1.00 0.00 H new ATOM 0 HA LEU A 10 9.527 5.746 -8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.886 3.151 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.624 4.262 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 10 8.845 3.172 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.874 1.423 -6.187 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.348 1.255 -7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.487 1.954 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.406 3.631 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.008 4.222 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.540 5.094 -6.244 1.00 0.00 H new ATOM 219 N GLN A 11 11.123 5.705 -11.191 1.00 0.00 N ATOM 220 CA GLN A 11 12.049 6.481 -12.020 1.00 0.00 C ATOM 221 C GLN A 11 11.583 7.928 -12.106 1.00 0.00 C ATOM 222 O GLN A 11 12.394 8.853 -12.131 1.00 0.00 O ATOM 223 CB GLN A 11 12.135 5.867 -13.411 1.00 0.00 C ATOM 224 CG GLN A 11 13.011 6.617 -14.387 1.00 0.00 C ATOM 225 CD GLN A 11 12.790 6.161 -15.816 1.00 0.00 C ATOM 226 OE1 GLN A 11 13.388 6.693 -16.747 1.00 0.00 O ATOM 227 NE2 GLN A 11 11.901 5.194 -16.002 1.00 0.00 N ATOM 0 H GLN A 11 10.615 4.979 -11.696 1.00 0.00 H new ATOM 0 HA GLN A 11 13.040 6.461 -11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.509 4.847 -13.319 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.129 5.801 -13.825 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.806 7.685 -14.312 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.058 6.474 -14.119 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.425 4.778 -15.201 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.693 4.867 -16.946 1.00 0.00 H new ATOM 236 N HIS A 12 10.263 8.118 -12.106 1.00 0.00 N ATOM 237 CA HIS A 12 9.674 9.450 -12.142 1.00 0.00 C ATOM 238 C HIS A 12 9.697 10.058 -10.753 1.00 0.00 C ATOM 239 O HIS A 12 8.790 10.766 -10.356 1.00 0.00 O ATOM 240 CB HIS A 12 8.252 9.410 -12.701 1.00 0.00 C ATOM 241 CG HIS A 12 8.204 9.529 -14.191 1.00 0.00 C ATOM 242 ND1 HIS A 12 8.547 10.685 -14.859 1.00 0.00 N ATOM 243 CD2 HIS A 12 7.868 8.633 -15.146 1.00 0.00 C ATOM 244 CE1 HIS A 12 8.428 10.497 -16.159 1.00 0.00 C ATOM 245 NE2 HIS A 12 8.017 9.257 -16.359 1.00 0.00 N ATOM 0 H HIS A 12 9.581 7.360 -12.081 1.00 0.00 H new ATOM 0 HA HIS A 12 10.267 10.076 -12.809 1.00 0.00 H new ATOM 0 HB2 HIS A 12 7.776 8.476 -12.402 1.00 0.00 H new ATOM 0 HB3 HIS A 12 7.671 10.220 -12.259 1.00 0.00 H new ATOM 0 HD2 HIS A 12 7.543 7.616 -14.984 1.00 0.00 H new ATOM 0 HE1 HIS A 12 8.631 11.229 -16.927 1.00 0.00 H new ATOM 0 HE2 HIS A 12 7.839 8.832 -17.269 1.00 0.00 H new ATOM 254 N ARG A 13 10.777 9.758 -10.052 1.00 0.00 N ATOM 255 CA ARG A 13 11.062 10.226 -8.695 1.00 0.00 C ATOM 256 C ARG A 13 10.841 11.732 -8.547 1.00 0.00 C ATOM 257 O ARG A 13 10.464 12.202 -7.477 1.00 0.00 O ATOM 258 CB ARG A 13 12.516 9.874 -8.357 1.00 0.00 C ATOM 259 CG ARG A 13 12.962 10.269 -6.957 1.00 0.00 C ATOM 260 CD ARG A 13 12.279 9.441 -5.878 1.00 0.00 C ATOM 261 NE ARG A 13 13.018 9.485 -4.617 1.00 0.00 N ATOM 262 CZ ARG A 13 14.166 8.844 -4.408 1.00 0.00 C ATOM 263 NH1 ARG A 13 14.634 7.998 -5.309 1.00 0.00 N ATOM 264 NH2 ARG A 13 14.832 9.014 -3.281 1.00 0.00 N ATOM 0 H ARG A 13 11.513 9.157 -10.423 1.00 0.00 H new ATOM 0 HA ARG A 13 10.375 9.734 -8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.651 8.799 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.170 10.360 -9.081 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.042 10.149 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.745 11.325 -6.793 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.266 9.812 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.191 8.407 -6.213 1.00 0.00 H new ATOM 0 HE ARG A 13 12.631 10.039 -3.853 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.115 7.833 -6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.514 7.510 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.468 9.640 -2.563 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.711 8.519 -3.128 1.00 0.00 H new ATOM 278 N GLU A 14 11.066 12.481 -9.626 1.00 0.00 N ATOM 279 CA GLU A 14 10.876 13.928 -9.607 1.00 0.00 C ATOM 280 C GLU A 14 9.394 14.267 -9.414 1.00 0.00 C ATOM 281 O GLU A 14 9.047 15.341 -8.921 1.00 0.00 O ATOM 282 CB GLU A 14 11.398 14.548 -10.911 1.00 0.00 C ATOM 283 CG GLU A 14 12.887 14.319 -11.158 1.00 0.00 C ATOM 284 CD GLU A 14 13.759 15.020 -10.139 1.00 0.00 C ATOM 285 OE1 GLU A 14 13.655 16.258 -10.014 1.00 0.00 O ATOM 286 OE2 GLU A 14 14.559 14.347 -9.460 1.00 0.00 O ATOM 0 H GLU A 14 11.380 12.109 -10.522 1.00 0.00 H new ATOM 0 HA GLU A 14 11.440 14.344 -8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.834 14.136 -11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.204 15.621 -10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.095 13.249 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.145 14.673 -12.156 1.00 0.00 H new ATOM 293 N ALA A 15 8.522 13.336 -9.788 1.00 0.00 N ATOM 294 CA ALA A 15 7.087 13.527 -9.646 1.00 0.00 C ATOM 295 C ALA A 15 6.500 12.509 -8.669 1.00 0.00 C ATOM 296 O ALA A 15 5.362 12.646 -8.231 1.00 0.00 O ATOM 297 CB ALA A 15 6.415 13.427 -11.009 1.00 0.00 C ATOM 0 H ALA A 15 8.788 12.439 -10.193 1.00 0.00 H new ATOM 0 HA ALA A 15 6.901 14.521 -9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.340 13.571 -10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.817 14.195 -11.670 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.606 12.443 -11.438 1.00 0.00 H new ATOM 303 N LEU A 16 7.299 11.483 -8.358 1.00 0.00 N ATOM 304 CA LEU A 16 6.910 10.402 -7.450 1.00 0.00 C ATOM 305 C LEU A 16 6.228 10.930 -6.197 1.00 0.00 C ATOM 306 O LEU A 16 5.007 10.930 -6.110 1.00 0.00 O ATOM 307 CB LEU A 16 8.132 9.575 -7.046 1.00 0.00 C ATOM 308 CG LEU A 16 7.794 8.290 -6.294 1.00 0.00 C ATOM 309 CD1 LEU A 16 7.029 7.339 -7.195 1.00 0.00 C ATOM 310 CD2 LEU A 16 9.053 7.630 -5.764 1.00 0.00 C ATOM 0 H LEU A 16 8.242 11.380 -8.733 1.00 0.00 H new ATOM 0 HA LEU A 16 6.200 9.774 -7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.698 9.321 -7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.782 10.188 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 16 7.162 8.544 -5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.795 6.427 -6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.104 7.813 -7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.638 7.092 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.788 6.716 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.714 7.387 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.562 8.312 -5.083 1.00 0.00 H new ATOM 322 N GLU A 17 7.024 11.361 -5.223 1.00 0.00 N ATOM 323 CA GLU A 17 6.490 11.869 -3.960 1.00 0.00 C ATOM 324 C GLU A 17 5.523 13.032 -4.174 1.00 0.00 C ATOM 325 O GLU A 17 4.604 13.237 -3.375 1.00 0.00 O ATOM 326 CB GLU A 17 7.624 12.274 -3.017 1.00 0.00 C ATOM 327 CG GLU A 17 7.144 12.633 -1.619 1.00 0.00 C ATOM 328 CD GLU A 17 8.272 12.982 -0.676 1.00 0.00 C ATOM 329 OE1 GLU A 17 9.087 12.089 -0.358 1.00 0.00 O ATOM 330 OE2 GLU A 17 8.350 14.151 -0.249 1.00 0.00 O ATOM 0 H GLU A 17 8.042 11.369 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 17 5.925 11.059 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.340 11.455 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.154 13.127 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.457 13.477 -1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.581 11.795 -1.208 1.00 0.00 H new ATOM 337 N LYS A 18 5.714 13.777 -5.252 1.00 0.00 N ATOM 338 CA LYS A 18 4.844 14.903 -5.556 1.00 0.00 C ATOM 339 C LYS A 18 3.393 14.431 -5.712 1.00 0.00 C ATOM 340 O LYS A 18 2.464 15.121 -5.289 1.00 0.00 O ATOM 341 CB LYS A 18 5.324 15.608 -6.828 1.00 0.00 C ATOM 342 CG LYS A 18 5.118 17.122 -6.825 1.00 0.00 C ATOM 343 CD LYS A 18 3.651 17.516 -6.917 1.00 0.00 C ATOM 344 CE LYS A 18 3.033 17.088 -8.238 1.00 0.00 C ATOM 345 NZ LYS A 18 1.574 17.367 -8.293 1.00 0.00 N ATOM 0 H LYS A 18 6.461 13.623 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 18 4.884 15.613 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.384 15.398 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.800 15.184 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.546 17.541 -5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.661 17.560 -7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.100 17.061 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.557 18.596 -6.805 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.532 17.608 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.203 16.022 -8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.052 16.471 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.283 17.867 -7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.365 17.959 -9.122 1.00 0.00 H new ATOM 359 N ASP A 19 3.198 13.255 -6.304 1.00 0.00 N ATOM 360 CA ASP A 19 1.851 12.723 -6.498 1.00 0.00 C ATOM 361 C ASP A 19 1.705 11.280 -6.003 1.00 0.00 C ATOM 362 O ASP A 19 0.878 10.526 -6.507 1.00 0.00 O ATOM 363 CB ASP A 19 1.445 12.833 -7.971 1.00 0.00 C ATOM 364 CG ASP A 19 0.367 13.880 -8.196 1.00 0.00 C ATOM 365 OD1 ASP A 19 0.565 15.042 -7.795 1.00 0.00 O ATOM 366 OD2 ASP A 19 -0.688 13.546 -8.771 1.00 0.00 O ATOM 0 H ASP A 19 3.947 12.658 -6.654 1.00 0.00 H new ATOM 0 HA ASP A 19 1.178 13.329 -5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.321 13.083 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.086 11.865 -8.320 1.00 0.00 H new ATOM 371 N ILE A 20 2.485 10.893 -4.997 1.00 0.00 N ATOM 372 CA ILE A 20 2.381 9.540 -4.447 1.00 0.00 C ATOM 373 C ILE A 20 2.011 9.629 -2.964 1.00 0.00 C ATOM 374 O ILE A 20 2.465 8.864 -2.110 1.00 0.00 O ATOM 375 CB ILE A 20 3.686 8.730 -4.673 1.00 0.00 C ATOM 376 CG1 ILE A 20 3.415 7.223 -4.584 1.00 0.00 C ATOM 377 CG2 ILE A 20 4.777 9.129 -3.689 1.00 0.00 C ATOM 378 CD1 ILE A 20 4.548 6.365 -5.116 1.00 0.00 C ATOM 0 H ILE A 20 3.186 11.484 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 20 1.594 8.999 -4.973 1.00 0.00 H new ATOM 0 HB ILE A 20 4.041 8.965 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.228 6.958 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.506 6.993 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.673 8.539 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.007 10.188 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.433 8.946 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.283 5.312 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.721 6.601 -6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.455 6.565 -4.545 1.00 0.00 H new ATOM 390 N LYS A 21 1.159 10.589 -2.678 1.00 0.00 N ATOM 391 CA LYS A 21 0.710 10.830 -1.321 1.00 0.00 C ATOM 392 C LYS A 21 -0.320 9.807 -0.879 1.00 0.00 C ATOM 393 O LYS A 21 -1.157 9.361 -1.662 1.00 0.00 O ATOM 394 CB LYS A 21 0.159 12.246 -1.194 1.00 0.00 C ATOM 395 CG LYS A 21 1.263 13.272 -0.994 1.00 0.00 C ATOM 396 CD LYS A 21 0.978 14.578 -1.729 1.00 0.00 C ATOM 397 CE LYS A 21 2.026 15.644 -1.429 1.00 0.00 C ATOM 398 NZ LYS A 21 3.380 15.231 -1.880 1.00 0.00 N ATOM 0 H LYS A 21 0.760 11.221 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 21 1.570 10.726 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.409 12.495 -2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.534 12.291 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.380 13.475 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.208 12.859 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.949 14.391 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.007 14.947 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.748 16.576 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.045 15.843 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.978 15.039 -1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.305 14.371 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.805 15.993 -2.445 1.00 0.00 H new ATOM 412 N THR A 22 -0.202 9.422 0.381 1.00 0.00 N ATOM 413 CA THR A 22 -1.061 8.415 0.991 1.00 0.00 C ATOM 414 C THR A 22 -2.530 8.876 1.109 1.00 0.00 C ATOM 415 O THR A 22 -3.252 8.845 0.119 1.00 0.00 O ATOM 416 CB THR A 22 -0.461 8.006 2.367 1.00 0.00 C ATOM 417 OG1 THR A 22 -1.387 7.223 3.133 1.00 0.00 O ATOM 418 CG2 THR A 22 -0.036 9.232 3.174 1.00 0.00 C ATOM 0 H THR A 22 0.499 9.802 1.017 1.00 0.00 H new ATOM 0 HA THR A 22 -1.090 7.542 0.339 1.00 0.00 H new ATOM 0 HB THR A 22 0.420 7.399 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.018 6.326 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.379 8.912 4.130 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.719 9.789 2.619 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.902 9.870 3.350 1.00 0.00 H new ATOM 426 N SER A 23 -2.949 9.287 2.314 1.00 0.00 N ATOM 427 CA SER A 23 -4.316 9.755 2.609 1.00 0.00 C ATOM 428 C SER A 23 -5.403 9.128 1.719 1.00 0.00 C ATOM 429 O SER A 23 -5.828 7.994 1.947 1.00 0.00 O ATOM 430 CB SER A 23 -4.371 11.282 2.528 1.00 0.00 C ATOM 431 OG SER A 23 -3.578 11.878 3.543 1.00 0.00 O ATOM 0 H SER A 23 -2.337 9.305 3.130 1.00 0.00 H new ATOM 0 HA SER A 23 -4.541 9.422 3.622 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.021 11.610 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.404 11.617 2.626 1.00 0.00 H new ATOM 0 HG SER A 23 -3.629 12.854 3.468 1.00 0.00 H new ATOM 437 N TYR A 24 -5.856 9.891 0.729 1.00 0.00 N ATOM 438 CA TYR A 24 -6.910 9.464 -0.195 1.00 0.00 C ATOM 439 C TYR A 24 -6.586 8.145 -0.896 1.00 0.00 C ATOM 440 O TYR A 24 -7.309 7.153 -0.763 1.00 0.00 O ATOM 441 CB TYR A 24 -7.115 10.515 -1.278 1.00 0.00 C ATOM 442 CG TYR A 24 -7.354 11.930 -0.789 1.00 0.00 C ATOM 443 CD1 TYR A 24 -6.341 12.661 -0.179 1.00 0.00 C ATOM 444 CD2 TYR A 24 -8.584 12.549 -0.972 1.00 0.00 C ATOM 445 CE1 TYR A 24 -6.548 13.957 0.245 1.00 0.00 C ATOM 446 CE2 TYR A 24 -8.796 13.849 -0.559 1.00 0.00 C ATOM 447 CZ TYR A 24 -7.778 14.548 0.050 1.00 0.00 C ATOM 448 OH TYR A 24 -7.989 15.846 0.461 1.00 0.00 O ATOM 0 H TYR A 24 -5.502 10.829 0.541 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.806 9.331 0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.238 10.518 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.964 10.215 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.373 12.205 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.388 12.004 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.752 14.505 0.727 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.757 14.316 -0.713 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.908 16.111 0.248 1.00 0.00 H new ATOM 458 N ILE A 25 -5.515 8.169 -1.671 1.00 0.00 N ATOM 459 CA ILE A 25 -5.064 7.019 -2.452 1.00 0.00 C ATOM 460 C ILE A 25 -4.955 5.752 -1.611 1.00 0.00 C ATOM 461 O ILE A 25 -5.453 4.693 -1.991 1.00 0.00 O ATOM 462 CB ILE A 25 -3.704 7.343 -3.100 1.00 0.00 C ATOM 463 CG1 ILE A 25 -3.895 8.427 -4.161 1.00 0.00 C ATOM 464 CG2 ILE A 25 -3.055 6.100 -3.697 1.00 0.00 C ATOM 465 CD1 ILE A 25 -2.610 9.088 -4.580 1.00 0.00 C ATOM 0 H ILE A 25 -4.925 8.994 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.811 6.827 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.029 7.711 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.371 7.987 -5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.576 9.186 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.098 6.368 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.894 5.361 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.708 5.680 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.820 9.846 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.143 9.557 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.935 8.340 -4.995 1.00 0.00 H new ATOM 477 N MET A 26 -4.315 5.869 -0.469 1.00 0.00 N ATOM 478 CA MET A 26 -4.143 4.737 0.423 1.00 0.00 C ATOM 479 C MET A 26 -5.462 4.321 1.060 1.00 0.00 C ATOM 480 O MET A 26 -5.600 3.186 1.495 1.00 0.00 O ATOM 481 CB MET A 26 -3.128 5.074 1.510 1.00 0.00 C ATOM 482 CG MET A 26 -2.811 3.908 2.427 1.00 0.00 C ATOM 483 SD MET A 26 -1.681 4.357 3.753 1.00 0.00 S ATOM 484 CE MET A 26 -1.498 2.783 4.589 1.00 0.00 C ATOM 0 H MET A 26 -3.902 6.739 -0.132 1.00 0.00 H new ATOM 0 HA MET A 26 -3.776 3.900 -0.171 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.206 5.417 1.041 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.509 5.902 2.107 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.737 3.527 2.857 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.375 3.098 1.842 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.593 2.929 5.665 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.272 2.097 4.246 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.517 2.364 4.365 1.00 0.00 H new ATOM 494 N ASP A 27 -6.445 5.217 1.095 1.00 0.00 N ATOM 495 CA ASP A 27 -7.739 4.867 1.688 1.00 0.00 C ATOM 496 C ASP A 27 -8.453 3.896 0.769 1.00 0.00 C ATOM 497 O ASP A 27 -9.125 2.963 1.211 1.00 0.00 O ATOM 498 CB ASP A 27 -8.594 6.120 1.912 1.00 0.00 C ATOM 499 CG ASP A 27 -9.758 5.897 2.862 1.00 0.00 C ATOM 500 OD1 ASP A 27 -9.822 4.833 3.503 1.00 0.00 O ATOM 501 OD2 ASP A 27 -10.606 6.810 2.987 1.00 0.00 O ATOM 0 H ASP A 27 -6.378 6.167 0.731 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.575 4.401 2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.962 6.916 2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.979 6.464 0.952 1.00 0.00 H new ATOM 506 N HIS A 28 -8.267 4.112 -0.520 1.00 0.00 N ATOM 507 CA HIS A 28 -8.860 3.260 -1.533 1.00 0.00 C ATOM 508 C HIS A 28 -8.147 1.920 -1.579 1.00 0.00 C ATOM 509 O HIS A 28 -8.759 0.899 -1.854 1.00 0.00 O ATOM 510 CB HIS A 28 -8.788 3.946 -2.897 1.00 0.00 C ATOM 511 CG HIS A 28 -9.496 5.267 -2.925 1.00 0.00 C ATOM 512 ND1 HIS A 28 -10.837 5.401 -2.637 1.00 0.00 N ATOM 513 CD2 HIS A 28 -9.043 6.519 -3.174 1.00 0.00 C ATOM 514 CE1 HIS A 28 -11.176 6.672 -2.707 1.00 0.00 C ATOM 515 NE2 HIS A 28 -10.109 7.368 -3.033 1.00 0.00 N ATOM 0 H HIS A 28 -7.705 4.877 -0.892 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.906 3.086 -1.280 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.743 4.094 -3.169 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.223 3.290 -3.651 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.032 6.796 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.162 7.074 -2.527 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.080 8.380 -3.161 1.00 0.00 H new ATOM 524 N MET A 29 -6.846 1.935 -1.305 1.00 0.00 N ATOM 525 CA MET A 29 -6.045 0.709 -1.322 1.00 0.00 C ATOM 526 C MET A 29 -6.359 -0.211 -0.139 1.00 0.00 C ATOM 527 O MET A 29 -6.390 -1.433 -0.288 1.00 0.00 O ATOM 528 CB MET A 29 -4.546 1.030 -1.333 1.00 0.00 C ATOM 529 CG MET A 29 -4.068 1.683 -2.620 1.00 0.00 C ATOM 530 SD MET A 29 -2.323 1.363 -2.959 1.00 0.00 S ATOM 531 CE MET A 29 -2.383 -0.370 -3.426 1.00 0.00 C ATOM 0 H MET A 29 -6.323 2.778 -1.069 1.00 0.00 H new ATOM 0 HA MET A 29 -6.311 0.183 -2.239 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.319 1.690 -0.496 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.985 0.109 -1.174 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.669 1.317 -3.453 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.230 2.759 -2.558 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.764 -0.952 -2.743 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.412 -0.725 -3.375 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.009 -0.486 -4.443 1.00 0.00 H new ATOM 541 N ILE A 30 -6.585 0.369 1.035 1.00 0.00 N ATOM 542 CA ILE A 30 -6.887 -0.421 2.227 1.00 0.00 C ATOM 543 C ILE A 30 -8.315 -0.937 2.178 1.00 0.00 C ATOM 544 O ILE A 30 -8.572 -2.102 2.469 1.00 0.00 O ATOM 545 CB ILE A 30 -6.705 0.395 3.514 1.00 0.00 C ATOM 546 CG1 ILE A 30 -5.376 1.146 3.503 1.00 0.00 C ATOM 547 CG2 ILE A 30 -6.763 -0.504 4.742 1.00 0.00 C ATOM 548 CD1 ILE A 30 -5.133 1.950 4.755 1.00 0.00 C ATOM 0 H ILE A 30 -6.565 1.377 1.188 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.186 -1.256 2.238 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.522 1.116 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.564 0.430 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.351 1.813 2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.631 0.099 5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.730 -1.006 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.969 -1.249 4.685 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.171 2.458 4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.926 2.689 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.126 1.285 5.619 1.00 0.00 H new ATOM 560 N SER A 31 -9.241 -0.062 1.786 1.00 0.00 N ATOM 561 CA SER A 31 -10.645 -0.435 1.678 1.00 0.00 C ATOM 562 C SER A 31 -10.807 -1.452 0.553 1.00 0.00 C ATOM 563 O SER A 31 -11.711 -2.289 0.578 1.00 0.00 O ATOM 564 CB SER A 31 -11.519 0.801 1.427 1.00 0.00 C ATOM 565 OG SER A 31 -12.853 0.589 1.872 1.00 0.00 O ATOM 0 H SER A 31 -9.041 0.907 1.539 1.00 0.00 H new ATOM 0 HA SER A 31 -10.972 -0.883 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.093 1.661 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.521 1.037 0.363 1.00 0.00 H new ATOM 0 HG SER A 31 -13.387 1.393 1.701 1.00 0.00 H new ATOM 571 N ASP A 32 -9.890 -1.401 -0.415 1.00 0.00 N ATOM 572 CA ASP A 32 -9.897 -2.344 -1.521 1.00 0.00 C ATOM 573 C ASP A 32 -9.499 -3.711 -0.982 1.00 0.00 C ATOM 574 O ASP A 32 -9.951 -4.750 -1.473 1.00 0.00 O ATOM 575 CB ASP A 32 -8.925 -1.903 -2.616 1.00 0.00 C ATOM 576 CG ASP A 32 -9.178 -2.569 -3.957 1.00 0.00 C ATOM 577 OD1 ASP A 32 -10.166 -3.322 -4.084 1.00 0.00 O ATOM 578 OD2 ASP A 32 -8.392 -2.322 -4.900 1.00 0.00 O ATOM 0 H ASP A 32 -9.136 -0.715 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.893 -2.387 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.994 -0.822 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.906 -2.123 -2.297 1.00 0.00 H new ATOM 583 N GLY A 33 -8.679 -3.699 0.070 1.00 0.00 N ATOM 584 CA GLY A 33 -8.273 -4.945 0.686 1.00 0.00 C ATOM 585 C GLY A 33 -6.867 -5.370 0.327 1.00 0.00 C ATOM 586 O GLY A 33 -6.385 -6.387 0.826 1.00 0.00 O ATOM 0 H GLY A 33 -8.295 -2.857 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.348 -4.846 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.968 -5.731 0.389 1.00 0.00 H new ATOM 590 N PHE A 34 -6.192 -4.596 -0.519 1.00 0.00 N ATOM 591 CA PHE A 34 -4.827 -4.921 -0.905 1.00 0.00 C ATOM 592 C PHE A 34 -3.868 -4.489 0.198 1.00 0.00 C ATOM 593 O PHE A 34 -2.789 -5.062 0.382 1.00 0.00 O ATOM 594 CB PHE A 34 -4.458 -4.277 -2.247 1.00 0.00 C ATOM 595 CG PHE A 34 -5.133 -4.931 -3.420 1.00 0.00 C ATOM 596 CD1 PHE A 34 -6.508 -4.849 -3.587 1.00 0.00 C ATOM 597 CD2 PHE A 34 -4.391 -5.629 -4.352 1.00 0.00 C ATOM 598 CE1 PHE A 34 -7.126 -5.452 -4.663 1.00 0.00 C ATOM 599 CE2 PHE A 34 -5.003 -6.235 -5.431 1.00 0.00 C ATOM 600 CZ PHE A 34 -6.372 -6.147 -5.587 1.00 0.00 C ATOM 0 H PHE A 34 -6.566 -3.748 -0.945 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.748 -6.000 -1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.727 -3.221 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.378 -4.327 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.102 -4.307 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.320 -5.702 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.197 -5.380 -4.782 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.411 -6.778 -6.153 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.852 -6.621 -6.430 1.00 0.00 H new ATOM 610 N LEU A 35 -4.300 -3.507 0.970 1.00 0.00 N ATOM 611 CA LEU A 35 -3.528 -3.025 2.101 1.00 0.00 C ATOM 612 C LEU A 35 -4.247 -3.448 3.381 1.00 0.00 C ATOM 613 O LEU A 35 -5.386 -3.045 3.626 1.00 0.00 O ATOM 614 CB LEU A 35 -3.368 -1.502 2.043 1.00 0.00 C ATOM 615 CG LEU A 35 -2.027 -0.989 1.503 1.00 0.00 C ATOM 616 CD1 LEU A 35 -1.751 -1.534 0.104 1.00 0.00 C ATOM 617 CD2 LEU A 35 -2.011 0.541 1.526 1.00 0.00 C ATOM 0 H LEU A 35 -5.188 -3.025 0.832 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.526 -3.454 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.167 -1.096 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.510 -1.103 3.047 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.226 -1.351 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.794 -1.153 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.719 -2.623 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.543 -1.215 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.057 0.901 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.820 0.923 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.145 0.891 2.550 1.00 0.00 H new ATOM 629 N THR A 36 -3.598 -4.288 4.166 1.00 0.00 N ATOM 630 CA THR A 36 -4.182 -4.803 5.395 1.00 0.00 C ATOM 631 C THR A 36 -3.968 -3.847 6.558 1.00 0.00 C ATOM 632 O THR A 36 -3.269 -2.842 6.425 1.00 0.00 O ATOM 633 CB THR A 36 -3.587 -6.180 5.750 1.00 0.00 C ATOM 634 OG1 THR A 36 -2.155 -6.107 5.748 1.00 0.00 O ATOM 635 CG2 THR A 36 -4.043 -7.242 4.757 1.00 0.00 C ATOM 0 H THR A 36 -2.657 -4.632 3.973 1.00 0.00 H new ATOM 0 HA THR A 36 -5.253 -4.906 5.221 1.00 0.00 H new ATOM 0 HB THR A 36 -3.939 -6.458 6.743 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.826 -6.166 4.827 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.610 -8.204 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.130 -7.315 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.715 -6.967 3.754 1.00 0.00 H new ATOM 643 N ILE A 37 -4.568 -4.163 7.694 1.00 0.00 N ATOM 644 CA ILE A 37 -4.440 -3.333 8.884 1.00 0.00 C ATOM 645 C ILE A 37 -2.976 -3.222 9.310 1.00 0.00 C ATOM 646 O ILE A 37 -2.539 -2.175 9.772 1.00 0.00 O ATOM 647 CB ILE A 37 -5.284 -3.896 10.050 1.00 0.00 C ATOM 648 CG1 ILE A 37 -6.760 -3.979 9.650 1.00 0.00 C ATOM 649 CG2 ILE A 37 -5.123 -3.045 11.303 1.00 0.00 C ATOM 650 CD1 ILE A 37 -7.368 -2.647 9.246 1.00 0.00 C ATOM 0 H ILE A 37 -5.151 -4.991 7.819 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.813 -2.340 8.635 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.923 -4.900 10.273 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.862 -4.679 8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.329 -4.388 10.485 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.728 -3.464 12.107 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.075 -3.035 11.604 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.451 -2.026 11.096 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.414 -2.791 8.977 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.300 -1.948 10.080 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.826 -2.244 8.390 1.00 0.00 H new ATOM 662 N SER A 38 -2.220 -4.301 9.130 1.00 0.00 N ATOM 663 CA SER A 38 -0.799 -4.306 9.478 1.00 0.00 C ATOM 664 C SER A 38 0.004 -3.521 8.452 1.00 0.00 C ATOM 665 O SER A 38 1.014 -2.900 8.787 1.00 0.00 O ATOM 666 CB SER A 38 -0.287 -5.739 9.586 1.00 0.00 C ATOM 667 OG SER A 38 -1.027 -6.463 10.560 1.00 0.00 O ATOM 0 H SER A 38 -2.564 -5.181 8.747 1.00 0.00 H new ATOM 0 HA SER A 38 -0.675 -3.823 10.447 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.368 -6.234 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.770 -5.734 9.854 1.00 0.00 H new ATOM 0 HG SER A 38 -0.686 -7.380 10.615 1.00 0.00 H new ATOM 673 N GLU A 39 -0.473 -3.514 7.213 1.00 0.00 N ATOM 674 CA GLU A 39 0.181 -2.754 6.161 1.00 0.00 C ATOM 675 C GLU A 39 -0.119 -1.276 6.386 1.00 0.00 C ATOM 676 O GLU A 39 0.749 -0.428 6.208 1.00 0.00 O ATOM 677 CB GLU A 39 -0.266 -3.230 4.775 1.00 0.00 C ATOM 678 CG GLU A 39 0.405 -4.532 4.359 1.00 0.00 C ATOM 679 CD GLU A 39 -0.255 -5.197 3.172 1.00 0.00 C ATOM 680 OE1 GLU A 39 -1.437 -5.573 3.282 1.00 0.00 O ATOM 681 OE2 GLU A 39 0.403 -5.368 2.128 1.00 0.00 O ATOM 0 H GLU A 39 -1.305 -4.023 6.916 1.00 0.00 H new ATOM 0 HA GLU A 39 1.259 -2.910 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.347 -3.366 4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.040 -2.458 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.450 -4.333 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.397 -5.222 5.203 1.00 0.00 H new ATOM 688 N GLU A 40 -1.339 -0.994 6.835 1.00 0.00 N ATOM 689 CA GLU A 40 -1.752 0.370 7.152 1.00 0.00 C ATOM 690 C GLU A 40 -0.991 0.860 8.381 1.00 0.00 C ATOM 691 O GLU A 40 -0.486 1.977 8.414 1.00 0.00 O ATOM 692 CB GLU A 40 -3.256 0.425 7.453 1.00 0.00 C ATOM 693 CG GLU A 40 -3.763 1.827 7.783 1.00 0.00 C ATOM 694 CD GLU A 40 -4.373 1.949 9.171 1.00 0.00 C ATOM 695 OE1 GLU A 40 -3.646 1.781 10.173 1.00 0.00 O ATOM 696 OE2 GLU A 40 -5.588 2.237 9.269 1.00 0.00 O ATOM 0 H GLU A 40 -2.063 -1.696 6.988 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.534 1.003 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.804 0.043 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.475 -0.238 8.290 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.936 2.532 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.508 2.117 7.042 1.00 0.00 H new ATOM 703 N GLU A 41 -0.961 -0.012 9.386 1.00 0.00 N ATOM 704 CA GLU A 41 -0.325 0.227 10.681 1.00 0.00 C ATOM 705 C GLU A 41 0.955 1.052 10.599 1.00 0.00 C ATOM 706 O GLU A 41 1.007 2.168 11.112 1.00 0.00 O ATOM 707 CB GLU A 41 -0.036 -1.125 11.342 1.00 0.00 C ATOM 708 CG GLU A 41 0.310 -1.058 12.821 1.00 0.00 C ATOM 709 CD GLU A 41 1.765 -0.719 13.088 1.00 0.00 C ATOM 710 OE1 GLU A 41 2.654 -1.454 12.611 1.00 0.00 O ATOM 711 OE2 GLU A 41 2.021 0.275 13.790 1.00 0.00 O ATOM 0 H GLU A 41 -1.392 -0.934 9.320 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.020 0.819 11.277 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.908 -1.767 11.217 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.789 -1.602 10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.323 -0.311 13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.078 -2.017 13.284 1.00 0.00 H new ATOM 718 N LYS A 42 2.001 0.490 10.009 1.00 0.00 N ATOM 719 CA LYS A 42 3.284 1.198 9.946 1.00 0.00 C ATOM 720 C LYS A 42 3.233 2.465 9.080 1.00 0.00 C ATOM 721 O LYS A 42 3.711 3.512 9.508 1.00 0.00 O ATOM 722 CB LYS A 42 4.412 0.278 9.469 1.00 0.00 C ATOM 723 CG LYS A 42 5.774 0.719 9.983 1.00 0.00 C ATOM 724 CD LYS A 42 6.869 -0.252 9.587 1.00 0.00 C ATOM 725 CE LYS A 42 8.130 -0.038 10.416 1.00 0.00 C ATOM 726 NZ LYS A 42 8.683 1.334 10.268 1.00 0.00 N ATOM 0 H LYS A 42 1.995 -0.433 9.575 1.00 0.00 H new ATOM 0 HA LYS A 42 3.494 1.515 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.213 -0.740 9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.426 0.259 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.007 1.709 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.741 0.806 11.069 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.515 -1.275 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.102 -0.128 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.906 -0.225 11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.885 -0.765 10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.347 1.526 11.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.182 1.411 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.907 2.026 10.297 1.00 0.00 H new ATOM 740 N VAL A 43 2.664 2.375 7.878 1.00 0.00 N ATOM 741 CA VAL A 43 2.580 3.539 6.977 1.00 0.00 C ATOM 742 C VAL A 43 1.870 4.718 7.654 1.00 0.00 C ATOM 743 O VAL A 43 2.278 5.873 7.521 1.00 0.00 O ATOM 744 CB VAL A 43 1.808 3.193 5.681 1.00 0.00 C ATOM 745 CG1 VAL A 43 1.883 4.336 4.676 1.00 0.00 C ATOM 746 CG2 VAL A 43 2.323 1.907 5.063 1.00 0.00 C ATOM 0 H VAL A 43 2.256 1.519 7.502 1.00 0.00 H new ATOM 0 HA VAL A 43 3.606 3.816 6.733 1.00 0.00 H new ATOM 0 HB VAL A 43 0.763 3.045 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.332 4.065 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.446 5.234 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.925 4.528 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.762 1.690 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.380 2.018 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.198 1.088 5.771 1.00 0.00 H new ATOM 756 N ARG A 44 0.792 4.409 8.357 1.00 0.00 N ATOM 757 CA ARG A 44 -0.015 5.412 9.032 1.00 0.00 C ATOM 758 C ARG A 44 0.610 5.877 10.354 1.00 0.00 C ATOM 759 O ARG A 44 0.379 7.010 10.783 1.00 0.00 O ATOM 760 CB ARG A 44 -1.414 4.822 9.266 1.00 0.00 C ATOM 761 CG ARG A 44 -2.426 5.783 9.867 1.00 0.00 C ATOM 762 CD ARG A 44 -2.467 5.685 11.385 1.00 0.00 C ATOM 763 NE ARG A 44 -2.856 4.353 11.854 1.00 0.00 N ATOM 764 CZ ARG A 44 -2.930 4.015 13.140 1.00 0.00 C ATOM 765 NH1 ARG A 44 -2.658 4.913 14.077 1.00 0.00 N ATOM 766 NH2 ARG A 44 -3.293 2.790 13.480 1.00 0.00 N ATOM 0 H ARG A 44 0.452 3.455 8.476 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.075 6.298 8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.802 4.458 8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.322 3.958 9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.176 6.803 9.575 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.415 5.569 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.486 5.936 11.788 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.169 6.422 11.774 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.083 3.644 11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.392 5.862 13.812 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.714 4.655 15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.516 2.105 12.758 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.350 2.530 14.465 1.00 0.00 H new ATOM 780 N ASN A 45 1.375 5.009 11.015 1.00 0.00 N ATOM 781 CA ASN A 45 1.984 5.362 12.304 1.00 0.00 C ATOM 782 C ASN A 45 3.245 6.218 12.171 1.00 0.00 C ATOM 783 O ASN A 45 3.656 6.846 13.144 1.00 0.00 O ATOM 784 CB ASN A 45 2.306 4.117 13.132 1.00 0.00 C ATOM 785 CG ASN A 45 1.270 3.872 14.206 1.00 0.00 C ATOM 786 OD1 ASN A 45 0.954 4.763 14.991 1.00 0.00 O ATOM 787 ND2 ASN A 45 0.764 2.655 14.275 1.00 0.00 N ATOM 0 H ASN A 45 1.588 4.067 10.687 1.00 0.00 H new ATOM 0 HA ASN A 45 1.232 5.962 12.817 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.361 3.249 12.476 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.287 4.231 13.593 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.084 2.426 15.000 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.053 1.944 13.604 1.00 0.00 H new ATOM 794 N GLU A 46 3.858 6.240 10.988 1.00 0.00 N ATOM 795 CA GLU A 46 5.073 7.034 10.778 1.00 0.00 C ATOM 796 C GLU A 46 4.831 8.513 11.113 1.00 0.00 C ATOM 797 O GLU A 46 3.707 9.005 11.012 1.00 0.00 O ATOM 798 CB GLU A 46 5.581 6.863 9.344 1.00 0.00 C ATOM 799 CG GLU A 46 5.970 5.425 9.007 1.00 0.00 C ATOM 800 CD GLU A 46 7.053 4.848 9.914 1.00 0.00 C ATOM 801 OE1 GLU A 46 7.564 5.573 10.795 1.00 0.00 O ATOM 802 OE2 GLU A 46 7.413 3.664 9.735 1.00 0.00 O ATOM 0 H GLU A 46 3.540 5.724 10.168 1.00 0.00 H new ATOM 0 HA GLU A 46 5.844 6.669 11.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.808 7.195 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.445 7.510 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.083 4.795 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.316 5.385 7.974 1.00 0.00 H new ATOM 809 N PRO A 47 5.882 9.223 11.562 1.00 0.00 N ATOM 810 CA PRO A 47 5.798 10.637 11.974 1.00 0.00 C ATOM 811 C PRO A 47 5.120 11.568 10.966 1.00 0.00 C ATOM 812 O PRO A 47 4.067 12.150 11.251 1.00 0.00 O ATOM 813 CB PRO A 47 7.263 11.035 12.158 1.00 0.00 C ATOM 814 CG PRO A 47 7.955 9.766 12.508 1.00 0.00 C ATOM 815 CD PRO A 47 7.245 8.685 11.744 1.00 0.00 C ATOM 0 HA PRO A 47 5.176 10.735 12.864 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.673 11.472 11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.376 11.779 12.947 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.010 9.808 12.236 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.910 9.580 13.581 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.728 8.487 10.787 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.234 7.745 12.296 1.00 0.00 H new ATOM 823 N THR A 48 5.726 11.726 9.797 1.00 0.00 N ATOM 824 CA THR A 48 5.188 12.608 8.772 1.00 0.00 C ATOM 825 C THR A 48 5.412 12.018 7.393 1.00 0.00 C ATOM 826 O THR A 48 5.757 10.847 7.279 1.00 0.00 O ATOM 827 CB THR A 48 5.857 13.996 8.836 1.00 0.00 C ATOM 828 OG1 THR A 48 7.269 13.833 9.041 1.00 0.00 O ATOM 829 CG2 THR A 48 5.281 14.851 9.955 1.00 0.00 C ATOM 0 H THR A 48 6.591 11.254 9.535 1.00 0.00 H new ATOM 0 HA THR A 48 4.119 12.715 8.956 1.00 0.00 H new ATOM 0 HB THR A 48 5.664 14.506 7.892 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.698 14.713 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.779 15.820 9.966 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.213 14.994 9.791 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.437 14.352 10.911 1.00 0.00 H new ATOM 837 N GLN A 49 5.234 12.848 6.355 1.00 0.00 N ATOM 838 CA GLN A 49 5.420 12.445 4.958 1.00 0.00 C ATOM 839 C GLN A 49 6.709 11.657 4.780 1.00 0.00 C ATOM 840 O GLN A 49 6.810 10.825 3.883 1.00 0.00 O ATOM 841 CB GLN A 49 5.454 13.676 4.047 1.00 0.00 C ATOM 842 CG GLN A 49 5.415 13.340 2.564 1.00 0.00 C ATOM 843 CD GLN A 49 4.005 13.151 2.032 1.00 0.00 C ATOM 844 OE1 GLN A 49 3.809 12.976 0.834 1.00 0.00 O ATOM 845 NE2 GLN A 49 3.016 13.192 2.914 1.00 0.00 N ATOM 0 H GLN A 49 4.955 13.823 6.464 1.00 0.00 H new ATOM 0 HA GLN A 49 4.578 11.809 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.607 14.319 4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.358 14.248 4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.904 14.137 2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.988 12.429 2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.220 13.340 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.051 13.076 2.604 1.00 0.00 H new ATOM 854 N GLN A 50 7.666 11.936 5.662 1.00 0.00 N ATOM 855 CA GLN A 50 8.966 11.283 5.679 1.00 0.00 C ATOM 856 C GLN A 50 8.834 9.791 5.423 1.00 0.00 C ATOM 857 O GLN A 50 8.916 9.343 4.278 1.00 0.00 O ATOM 858 CB GLN A 50 9.649 11.542 7.033 1.00 0.00 C ATOM 859 CG GLN A 50 10.995 10.855 7.214 1.00 0.00 C ATOM 860 CD GLN A 50 11.420 10.827 8.668 1.00 0.00 C ATOM 861 OE1 GLN A 50 11.663 11.868 9.274 1.00 0.00 O ATOM 862 NE2 GLN A 50 11.482 9.641 9.243 1.00 0.00 N ATOM 0 H GLN A 50 7.555 12.635 6.396 1.00 0.00 H new ATOM 0 HA GLN A 50 9.579 11.700 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.787 12.616 7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 50 8.980 11.215 7.829 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.937 9.836 6.832 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.751 11.374 6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.272 8.801 8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.739 9.564 10.227 1.00 0.00 H new ATOM 871 N GLN A 51 8.612 9.027 6.475 1.00 0.00 N ATOM 872 CA GLN A 51 8.474 7.599 6.319 1.00 0.00 C ATOM 873 C GLN A 51 7.018 7.224 6.098 1.00 0.00 C ATOM 874 O GLN A 51 6.718 6.081 5.818 1.00 0.00 O ATOM 875 CB GLN A 51 9.057 6.854 7.521 1.00 0.00 C ATOM 876 CG GLN A 51 9.216 5.358 7.281 1.00 0.00 C ATOM 877 CD GLN A 51 10.014 5.054 6.026 1.00 0.00 C ATOM 878 OE1 GLN A 51 11.197 5.370 5.937 1.00 0.00 O ATOM 879 NE2 GLN A 51 9.368 4.444 5.048 1.00 0.00 N ATOM 0 H GLN A 51 8.525 9.368 7.432 1.00 0.00 H new ATOM 0 HA GLN A 51 9.041 7.298 5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 51 10.029 7.281 7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.411 7.010 8.385 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.710 4.906 8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.231 4.899 7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.385 4.198 5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.853 4.219 4.179 1.00 0.00 H new ATOM 888 N ARG A 52 6.112 8.191 6.195 1.00 0.00 N ATOM 889 CA ARG A 52 4.694 7.895 5.963 1.00 0.00 C ATOM 890 C ARG A 52 4.469 7.666 4.474 1.00 0.00 C ATOM 891 O ARG A 52 4.041 6.593 4.056 1.00 0.00 O ATOM 892 CB ARG A 52 3.774 9.007 6.485 1.00 0.00 C ATOM 893 CG ARG A 52 2.291 8.707 6.311 1.00 0.00 C ATOM 894 CD ARG A 52 1.420 9.679 7.090 1.00 0.00 C ATOM 895 NE ARG A 52 1.717 9.645 8.521 1.00 0.00 N ATOM 896 CZ ARG A 52 0.983 10.251 9.447 1.00 0.00 C ATOM 897 NH1 ARG A 52 -0.140 10.854 9.120 1.00 0.00 N ATOM 898 NH2 ARG A 52 1.356 10.216 10.710 1.00 0.00 N ATOM 0 H ARG A 52 6.320 9.162 6.426 1.00 0.00 H new ATOM 0 HA ARG A 52 4.439 6.993 6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.981 9.171 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.011 9.936 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.033 8.756 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.085 7.689 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.573 10.689 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.370 9.435 6.931 1.00 0.00 H new ATOM 0 HE ARG A 52 2.539 9.124 8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.453 10.858 8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.698 11.317 9.837 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.209 9.723 10.977 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.792 10.681 11.421 1.00 0.00 H new ATOM 912 N ALA A 53 4.807 8.659 3.668 1.00 0.00 N ATOM 913 CA ALA A 53 4.674 8.522 2.230 1.00 0.00 C ATOM 914 C ALA A 53 5.703 7.541 1.721 1.00 0.00 C ATOM 915 O ALA A 53 5.389 6.701 0.885 1.00 0.00 O ATOM 916 CB ALA A 53 4.819 9.861 1.539 1.00 0.00 C ATOM 0 H ALA A 53 5.171 9.559 3.982 1.00 0.00 H new ATOM 0 HA ALA A 53 3.677 8.144 2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.715 9.728 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.046 10.541 1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.801 10.280 1.760 1.00 0.00 H new ATOM 922 N ALA A 54 6.924 7.629 2.241 1.00 0.00 N ATOM 923 CA ALA A 54 7.972 6.718 1.823 1.00 0.00 C ATOM 924 C ALA A 54 7.588 5.270 2.111 1.00 0.00 C ATOM 925 O ALA A 54 7.969 4.376 1.368 1.00 0.00 O ATOM 926 CB ALA A 54 9.290 7.058 2.497 1.00 0.00 C ATOM 0 H ALA A 54 7.205 8.314 2.943 1.00 0.00 H new ATOM 0 HA ALA A 54 8.097 6.832 0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.059 6.360 2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.583 8.073 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.175 6.985 3.578 1.00 0.00 H new ATOM 932 N MET A 55 6.827 5.029 3.185 1.00 0.00 N ATOM 933 CA MET A 55 6.415 3.677 3.513 1.00 0.00 C ATOM 934 C MET A 55 5.385 3.201 2.503 1.00 0.00 C ATOM 935 O MET A 55 5.394 2.045 2.097 1.00 0.00 O ATOM 936 CB MET A 55 5.878 3.622 4.938 1.00 0.00 C ATOM 937 CG MET A 55 5.575 2.219 5.425 1.00 0.00 C ATOM 938 SD MET A 55 7.050 1.181 5.477 1.00 0.00 S ATOM 939 CE MET A 55 6.331 -0.399 5.918 1.00 0.00 C ATOM 0 H MET A 55 6.493 5.747 3.828 1.00 0.00 H new ATOM 0 HA MET A 55 7.273 3.007 3.462 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.606 4.080 5.608 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.969 4.221 4.997 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.133 2.269 6.420 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.834 1.761 4.770 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.066 -0.995 6.459 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.458 -0.238 6.550 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.031 -0.927 5.013 1.00 0.00 H new ATOM 949 N LEU A 56 4.538 4.124 2.059 1.00 0.00 N ATOM 950 CA LEU A 56 3.541 3.814 1.046 1.00 0.00 C ATOM 951 C LEU A 56 4.262 3.390 -0.229 1.00 0.00 C ATOM 952 O LEU A 56 3.994 2.323 -0.792 1.00 0.00 O ATOM 953 CB LEU A 56 2.660 5.035 0.767 1.00 0.00 C ATOM 954 CG LEU A 56 1.462 4.776 -0.146 1.00 0.00 C ATOM 955 CD1 LEU A 56 0.364 4.047 0.608 1.00 0.00 C ATOM 956 CD2 LEU A 56 0.938 6.078 -0.716 1.00 0.00 C ATOM 0 H LEU A 56 4.524 5.090 2.385 1.00 0.00 H new ATOM 0 HA LEU A 56 2.899 3.007 1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.295 5.425 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.277 5.814 0.319 1.00 0.00 H new ATOM 0 HG LEU A 56 1.790 4.145 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.480 3.872 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.744 3.092 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.039 4.653 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.085 5.875 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.627 6.733 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.724 6.565 -1.293 1.00 0.00 H new ATOM 968 N ILE A 57 5.204 4.231 -0.654 1.00 0.00 N ATOM 969 CA ILE A 57 6.004 3.955 -1.845 1.00 0.00 C ATOM 970 C ILE A 57 6.827 2.669 -1.644 1.00 0.00 C ATOM 971 O ILE A 57 7.100 1.939 -2.596 1.00 0.00 O ATOM 972 CB ILE A 57 6.984 5.122 -2.152 1.00 0.00 C ATOM 973 CG1 ILE A 57 6.341 6.471 -1.856 1.00 0.00 C ATOM 974 CG2 ILE A 57 7.435 5.095 -3.612 1.00 0.00 C ATOM 975 CD1 ILE A 57 7.320 7.633 -1.871 1.00 0.00 C ATOM 0 H ILE A 57 5.432 5.110 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 57 5.314 3.838 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 57 7.852 4.988 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.558 6.659 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.859 6.427 -0.879 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.120 5.923 -3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.941 4.152 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.566 5.191 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.789 8.559 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.090 7.470 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.784 7.705 -2.855 1.00 0.00 H new ATOM 987 N LYS A 58 7.218 2.409 -0.391 1.00 0.00 N ATOM 988 CA LYS A 58 8.010 1.229 -0.039 1.00 0.00 C ATOM 989 C LYS A 58 7.193 -0.059 -0.191 1.00 0.00 C ATOM 990 O LYS A 58 7.721 -1.071 -0.663 1.00 0.00 O ATOM 991 CB LYS A 58 8.558 1.356 1.395 1.00 0.00 C ATOM 992 CG LYS A 58 9.151 0.065 1.941 1.00 0.00 C ATOM 993 CD LYS A 58 10.635 0.212 2.247 1.00 0.00 C ATOM 994 CE LYS A 58 10.879 1.174 3.404 1.00 0.00 C ATOM 995 NZ LYS A 58 12.325 1.320 3.721 1.00 0.00 N ATOM 0 H LYS A 58 6.995 3.009 0.403 1.00 0.00 H new ATOM 0 HA LYS A 58 8.850 1.173 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.322 2.133 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.754 1.683 2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.620 -0.225 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.006 -0.737 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.055 -0.764 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.156 0.571 1.359 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.463 2.151 3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.350 0.818 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.441 1.983 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.718 0.394 3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.828 1.685 2.887 1.00 0.00 H new ATOM 1009 N MET A 59 5.904 -0.028 0.189 1.00 0.00 N ATOM 1010 CA MET A 59 5.050 -1.218 0.051 1.00 0.00 C ATOM 1011 C MET A 59 4.981 -1.602 -1.411 1.00 0.00 C ATOM 1012 O MET A 59 5.276 -2.731 -1.788 1.00 0.00 O ATOM 1013 CB MET A 59 3.601 -0.987 0.503 1.00 0.00 C ATOM 1014 CG MET A 59 3.418 -0.091 1.700 1.00 0.00 C ATOM 1015 SD MET A 59 1.676 0.302 1.969 1.00 0.00 S ATOM 1016 CE MET A 59 1.156 0.652 0.288 1.00 0.00 C ATOM 0 H MET A 59 5.439 0.789 0.585 1.00 0.00 H new ATOM 0 HA MET A 59 5.496 -1.987 0.681 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.044 -0.563 -0.332 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.152 -1.955 0.726 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.824 -0.578 2.587 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.982 0.830 1.556 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.220 1.210 0.305 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.922 1.244 -0.214 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.010 -0.285 -0.250 1.00 0.00 H new ATOM 1026 N ILE A 60 4.571 -0.626 -2.221 1.00 0.00 N ATOM 1027 CA ILE A 60 4.428 -0.795 -3.663 1.00 0.00 C ATOM 1028 C ILE A 60 5.739 -1.234 -4.308 1.00 0.00 C ATOM 1029 O ILE A 60 5.740 -2.080 -5.201 1.00 0.00 O ATOM 1030 CB ILE A 60 3.941 0.512 -4.302 1.00 0.00 C ATOM 1031 CG1 ILE A 60 2.688 0.989 -3.578 1.00 0.00 C ATOM 1032 CG2 ILE A 60 3.650 0.303 -5.778 1.00 0.00 C ATOM 1033 CD1 ILE A 60 2.432 2.459 -3.755 1.00 0.00 C ATOM 0 H ILE A 60 4.328 0.308 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 60 3.690 -1.579 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 60 4.720 1.269 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.828 0.429 -3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.783 0.768 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.305 1.239 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.558 -0.023 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.877 -0.457 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.526 2.738 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.277 3.025 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.307 2.682 -4.815 1.00 0.00 H new ATOM 1045 N LEU A 61 6.845 -0.666 -3.832 1.00 0.00 N ATOM 1046 CA LEU A 61 8.172 -0.999 -4.338 1.00 0.00 C ATOM 1047 C LEU A 61 8.377 -2.516 -4.339 1.00 0.00 C ATOM 1048 O LEU A 61 8.981 -3.070 -5.255 1.00 0.00 O ATOM 1049 CB LEU A 61 9.251 -0.302 -3.485 1.00 0.00 C ATOM 1050 CG LEU A 61 10.660 -0.245 -4.088 1.00 0.00 C ATOM 1051 CD1 LEU A 61 11.455 0.877 -3.446 1.00 0.00 C ATOM 1052 CD2 LEU A 61 11.393 -1.563 -3.905 1.00 0.00 C ATOM 0 H LEU A 61 6.846 0.033 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 61 8.259 -0.644 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.923 0.718 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.310 -0.813 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 61 10.560 -0.056 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.454 0.910 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.951 1.827 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.532 0.701 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.388 -1.490 -4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.480 -1.786 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.837 -2.360 -4.399 1.00 0.00 H new ATOM 1064 N LYS A 62 7.866 -3.194 -3.322 1.00 0.00 N ATOM 1065 CA LYS A 62 8.014 -4.635 -3.249 1.00 0.00 C ATOM 1066 C LYS A 62 6.661 -5.340 -3.115 1.00 0.00 C ATOM 1067 O LYS A 62 6.536 -6.338 -2.399 1.00 0.00 O ATOM 1068 CB LYS A 62 8.934 -5.004 -2.085 1.00 0.00 C ATOM 1069 CG LYS A 62 9.524 -6.406 -2.199 1.00 0.00 C ATOM 1070 CD LYS A 62 10.378 -6.762 -0.989 1.00 0.00 C ATOM 1071 CE LYS A 62 10.922 -8.179 -1.090 1.00 0.00 C ATOM 1072 NZ LYS A 62 9.827 -9.174 -1.225 1.00 0.00 N ATOM 0 H LYS A 62 7.352 -2.774 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 62 8.462 -4.976 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.746 -4.279 -2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.375 -4.928 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.718 -7.132 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.129 -6.473 -3.103 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.206 -6.058 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.784 -6.663 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.590 -8.253 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.515 -8.406 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.195 -10.125 -1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.066 -8.946 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.452 -9.148 -2.195 1.00 0.00 H new ATOM 1086 N LYS A 63 5.647 -4.844 -3.825 1.00 0.00 N ATOM 1087 CA LYS A 63 4.339 -5.473 -3.794 1.00 0.00 C ATOM 1088 C LYS A 63 4.211 -6.452 -4.952 1.00 0.00 C ATOM 1089 O LYS A 63 5.004 -7.387 -5.071 1.00 0.00 O ATOM 1090 CB LYS A 63 3.225 -4.425 -3.856 1.00 0.00 C ATOM 1091 CG LYS A 63 2.531 -4.187 -2.523 1.00 0.00 C ATOM 1092 CD LYS A 63 1.813 -5.435 -2.018 1.00 0.00 C ATOM 1093 CE LYS A 63 0.904 -5.119 -0.842 1.00 0.00 C ATOM 1094 NZ LYS A 63 0.168 -6.318 -0.356 1.00 0.00 N ATOM 0 H LYS A 63 5.710 -4.018 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 63 4.237 -6.015 -2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.644 -3.483 -4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.483 -4.740 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.266 -3.868 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.813 -3.374 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.225 -5.870 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.548 -6.183 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.499 -4.706 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.188 -4.351 -1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.031 -6.248 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.758 -6.371 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.716 -7.174 -0.575 1.00 0.00 H new ATOM 1108 N ASP A 64 3.226 -6.229 -5.807 1.00 0.00 N ATOM 1109 CA ASP A 64 2.999 -7.086 -6.958 1.00 0.00 C ATOM 1110 C ASP A 64 2.145 -6.374 -7.985 1.00 0.00 C ATOM 1111 O ASP A 64 1.678 -5.264 -7.741 1.00 0.00 O ATOM 1112 CB ASP A 64 2.356 -8.411 -6.529 1.00 0.00 C ATOM 1113 CG ASP A 64 1.142 -8.206 -5.647 1.00 0.00 C ATOM 1114 OD1 ASP A 64 0.162 -7.595 -6.112 1.00 0.00 O ATOM 1115 OD2 ASP A 64 1.164 -8.645 -4.478 1.00 0.00 O ATOM 0 H ASP A 64 2.567 -5.455 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 64 3.961 -7.315 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.066 -8.975 -7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.092 -9.013 -5.995 1.00 0.00 H new ATOM 1120 N ASN A 65 1.959 -7.013 -9.128 1.00 0.00 N ATOM 1121 CA ASN A 65 1.169 -6.449 -10.212 1.00 0.00 C ATOM 1122 C ASN A 65 -0.248 -6.147 -9.749 1.00 0.00 C ATOM 1123 O ASN A 65 -0.792 -5.089 -10.048 1.00 0.00 O ATOM 1124 CB ASN A 65 1.125 -7.430 -11.383 1.00 0.00 C ATOM 1125 CG ASN A 65 0.805 -6.751 -12.700 1.00 0.00 C ATOM 1126 OD1 ASN A 65 -0.141 -5.980 -12.806 1.00 0.00 O ATOM 1127 ND2 ASN A 65 1.581 -7.050 -13.720 1.00 0.00 N ATOM 0 H ASN A 65 2.349 -7.933 -9.331 1.00 0.00 H new ATOM 0 HA ASN A 65 1.637 -5.517 -10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.087 -7.937 -11.464 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.376 -8.196 -11.182 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.403 -6.635 -14.635 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.360 -7.696 -13.596 1.00 0.00 H new ATOM 1134 N ASP A 66 -0.837 -7.083 -9.020 1.00 0.00 N ATOM 1135 CA ASP A 66 -2.194 -6.928 -8.525 1.00 0.00 C ATOM 1136 C ASP A 66 -2.343 -5.676 -7.656 1.00 0.00 C ATOM 1137 O ASP A 66 -3.257 -4.875 -7.874 1.00 0.00 O ATOM 1138 CB ASP A 66 -2.633 -8.169 -7.743 1.00 0.00 C ATOM 1139 CG ASP A 66 -2.798 -9.388 -8.628 1.00 0.00 C ATOM 1140 OD1 ASP A 66 -3.581 -9.322 -9.600 1.00 0.00 O ATOM 1141 OD2 ASP A 66 -2.149 -10.421 -8.352 1.00 0.00 O ATOM 0 H ASP A 66 -0.392 -7.963 -8.758 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.842 -6.811 -9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.897 -8.384 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.576 -7.961 -7.238 1.00 0.00 H new ATOM 1146 N SER A 67 -1.452 -5.490 -6.682 1.00 0.00 N ATOM 1147 CA SER A 67 -1.538 -4.306 -5.821 1.00 0.00 C ATOM 1148 C SER A 67 -1.163 -3.072 -6.592 1.00 0.00 C ATOM 1149 O SER A 67 -1.587 -1.971 -6.267 1.00 0.00 O ATOM 1150 CB SER A 67 -0.607 -4.378 -4.625 1.00 0.00 C ATOM 1151 OG SER A 67 -0.367 -5.710 -4.214 1.00 0.00 O ATOM 0 H SER A 67 -0.681 -6.124 -6.471 1.00 0.00 H new ATOM 0 HA SER A 67 -2.570 -4.268 -5.472 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.340 -3.900 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.038 -3.816 -3.797 1.00 0.00 H new ATOM 0 HG SER A 67 -0.751 -5.852 -3.324 1.00 0.00 H new ATOM 1157 N TYR A 68 -0.343 -3.263 -7.593 1.00 0.00 N ATOM 1158 CA TYR A 68 0.123 -2.166 -8.404 1.00 0.00 C ATOM 1159 C TYR A 68 -1.007 -1.610 -9.244 1.00 0.00 C ATOM 1160 O TYR A 68 -1.181 -0.396 -9.318 1.00 0.00 O ATOM 1161 CB TYR A 68 1.263 -2.641 -9.285 1.00 0.00 C ATOM 1162 CG TYR A 68 1.922 -1.551 -10.076 1.00 0.00 C ATOM 1163 CD1 TYR A 68 2.257 -0.335 -9.490 1.00 0.00 C ATOM 1164 CD2 TYR A 68 2.237 -1.751 -11.403 1.00 0.00 C ATOM 1165 CE1 TYR A 68 2.876 0.653 -10.222 1.00 0.00 C ATOM 1166 CE2 TYR A 68 2.855 -0.773 -12.130 1.00 0.00 C ATOM 1167 CZ TYR A 68 3.178 0.419 -11.543 1.00 0.00 C ATOM 1168 OH TYR A 68 3.801 1.375 -12.288 1.00 0.00 O ATOM 0 H TYR A 68 0.019 -4.176 -7.868 1.00 0.00 H new ATOM 0 HA TYR A 68 0.483 -1.367 -7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.013 -3.126 -8.660 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.885 -3.397 -9.973 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.029 -0.164 -8.448 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.992 -2.692 -11.874 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.121 1.600 -9.765 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.089 -0.942 -13.171 1.00 0.00 H new ATOM 0 HH TYR A 68 3.939 1.041 -13.199 1.00 0.00 H new ATOM 1178 N VAL A 69 -1.793 -2.489 -9.855 1.00 0.00 N ATOM 1179 CA VAL A 69 -2.914 -2.032 -10.652 1.00 0.00 C ATOM 1180 C VAL A 69 -3.945 -1.390 -9.715 1.00 0.00 C ATOM 1181 O VAL A 69 -4.674 -0.475 -10.098 1.00 0.00 O ATOM 1182 CB VAL A 69 -3.563 -3.157 -11.480 1.00 0.00 C ATOM 1183 CG1 VAL A 69 -4.547 -2.571 -12.479 1.00 0.00 C ATOM 1184 CG2 VAL A 69 -2.512 -3.964 -12.216 1.00 0.00 C ATOM 0 H VAL A 69 -1.675 -3.501 -9.813 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.543 -1.305 -11.374 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.092 -3.818 -10.794 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.000 -3.376 -13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.326 -2.026 -11.946 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.023 -1.891 -13.150 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.996 -4.752 -12.793 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.957 -3.311 -12.889 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.826 -4.411 -11.496 1.00 0.00 H new ATOM 1194 N SER A 70 -3.951 -1.850 -8.457 1.00 0.00 N ATOM 1195 CA SER A 70 -4.834 -1.290 -7.433 1.00 0.00 C ATOM 1196 C SER A 70 -4.304 0.094 -7.048 1.00 0.00 C ATOM 1197 O SER A 70 -5.057 1.062 -7.018 1.00 0.00 O ATOM 1198 CB SER A 70 -4.927 -2.201 -6.202 1.00 0.00 C ATOM 1199 OG SER A 70 -5.778 -1.643 -5.212 1.00 0.00 O ATOM 0 H SER A 70 -3.354 -2.608 -8.127 1.00 0.00 H new ATOM 0 HA SER A 70 -5.844 -1.208 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.303 -3.180 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.932 -2.355 -5.785 1.00 0.00 H new ATOM 0 HG SER A 70 -6.668 -2.047 -5.280 1.00 0.00 H new ATOM 1205 N PHE A 71 -2.990 0.194 -6.790 1.00 0.00 N ATOM 1206 CA PHE A 71 -2.374 1.487 -6.470 1.00 0.00 C ATOM 1207 C PHE A 71 -2.625 2.450 -7.637 1.00 0.00 C ATOM 1208 O PHE A 71 -2.934 3.624 -7.438 1.00 0.00 O ATOM 1209 CB PHE A 71 -0.867 1.301 -6.189 1.00 0.00 C ATOM 1210 CG PHE A 71 -0.015 2.532 -6.351 1.00 0.00 C ATOM 1211 CD1 PHE A 71 -0.281 3.690 -5.637 1.00 0.00 C ATOM 1212 CD2 PHE A 71 1.084 2.509 -7.198 1.00 0.00 C ATOM 1213 CE1 PHE A 71 0.525 4.804 -5.774 1.00 0.00 C ATOM 1214 CE2 PHE A 71 1.899 3.620 -7.332 1.00 0.00 C ATOM 1215 CZ PHE A 71 1.624 4.767 -6.619 1.00 0.00 C ATOM 0 H PHE A 71 -2.343 -0.595 -6.797 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.818 1.910 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.749 0.932 -5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.485 0.527 -6.855 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.127 3.722 -4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.306 1.614 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.299 5.705 -5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.751 3.588 -7.995 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.262 5.633 -6.718 1.00 0.00 H new ATOM 1225 N TYR A 72 -2.548 1.911 -8.850 1.00 0.00 N ATOM 1226 CA TYR A 72 -2.821 2.673 -10.071 1.00 0.00 C ATOM 1227 C TYR A 72 -4.256 3.194 -10.034 1.00 0.00 C ATOM 1228 O TYR A 72 -4.525 4.357 -10.313 1.00 0.00 O ATOM 1229 CB TYR A 72 -2.638 1.764 -11.294 1.00 0.00 C ATOM 1230 CG TYR A 72 -2.977 2.402 -12.625 1.00 0.00 C ATOM 1231 CD1 TYR A 72 -2.104 3.285 -13.245 1.00 0.00 C ATOM 1232 CD2 TYR A 72 -4.171 2.102 -13.273 1.00 0.00 C ATOM 1233 CE1 TYR A 72 -2.412 3.849 -14.472 1.00 0.00 C ATOM 1234 CE2 TYR A 72 -4.481 2.660 -14.498 1.00 0.00 C ATOM 1235 CZ TYR A 72 -3.602 3.536 -15.090 1.00 0.00 C ATOM 1236 OH TYR A 72 -3.909 4.095 -16.304 1.00 0.00 O ATOM 0 H TYR A 72 -2.296 0.937 -9.017 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.130 3.513 -10.137 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.602 1.426 -11.324 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.259 0.878 -11.165 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.170 3.536 -12.763 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.869 1.420 -12.810 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -1.721 4.532 -14.943 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.410 2.409 -14.989 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.784 3.769 -16.602 1.00 0.00 H new ATOM 1246 N ASN A 73 -5.156 2.290 -9.671 1.00 0.00 N ATOM 1247 CA ASN A 73 -6.585 2.573 -9.560 1.00 0.00 C ATOM 1248 C ASN A 73 -6.832 3.701 -8.562 1.00 0.00 C ATOM 1249 O ASN A 73 -7.643 4.595 -8.802 1.00 0.00 O ATOM 1250 CB ASN A 73 -7.301 1.301 -9.086 1.00 0.00 C ATOM 1251 CG ASN A 73 -8.818 1.366 -9.161 1.00 0.00 C ATOM 1252 OD1 ASN A 73 -9.449 2.308 -8.684 1.00 0.00 O ATOM 1253 ND2 ASN A 73 -9.415 0.338 -9.737 1.00 0.00 N ATOM 0 H ASN A 73 -4.913 1.326 -9.442 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.968 2.884 -10.532 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.956 0.460 -9.687 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -7.009 1.098 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.433 0.307 -9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.858 -0.425 -10.122 1.00 0.00 H new ATOM 1260 N ALA A 74 -6.123 3.648 -7.440 1.00 0.00 N ATOM 1261 CA ALA A 74 -6.254 4.653 -6.395 1.00 0.00 C ATOM 1262 C ALA A 74 -5.827 6.031 -6.893 1.00 0.00 C ATOM 1263 O ALA A 74 -6.380 7.050 -6.472 1.00 0.00 O ATOM 1264 CB ALA A 74 -5.445 4.245 -5.180 1.00 0.00 C ATOM 0 H ALA A 74 -5.447 2.913 -7.231 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.305 4.719 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.548 5.002 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.809 3.288 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.395 4.151 -5.457 1.00 0.00 H new ATOM 1270 N LEU A 75 -4.864 6.053 -7.812 1.00 0.00 N ATOM 1271 CA LEU A 75 -4.382 7.299 -8.396 1.00 0.00 C ATOM 1272 C LEU A 75 -5.477 7.917 -9.264 1.00 0.00 C ATOM 1273 O LEU A 75 -5.622 9.140 -9.330 1.00 0.00 O ATOM 1274 CB LEU A 75 -3.122 7.049 -9.228 1.00 0.00 C ATOM 1275 CG LEU A 75 -1.927 6.476 -8.458 1.00 0.00 C ATOM 1276 CD1 LEU A 75 -0.808 6.095 -9.414 1.00 0.00 C ATOM 1277 CD2 LEU A 75 -1.422 7.476 -7.433 1.00 0.00 C ATOM 0 H LEU A 75 -4.401 5.217 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.129 7.992 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.372 6.364 -10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.819 7.989 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.258 5.579 -7.935 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.031 5.690 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.169 5.343 -10.116 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.483 6.978 -9.964 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.574 7.051 -6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.110 8.390 -7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.219 7.707 -6.726 1.00 0.00 H new ATOM 1289 N LEU A 76 -6.256 7.052 -9.910 1.00 0.00 N ATOM 1290 CA LEU A 76 -7.358 7.492 -10.761 1.00 0.00 C ATOM 1291 C LEU A 76 -8.605 7.764 -9.928 1.00 0.00 C ATOM 1292 O LEU A 76 -9.531 8.443 -10.381 1.00 0.00 O ATOM 1293 CB LEU A 76 -7.675 6.451 -11.837 1.00 0.00 C ATOM 1294 CG LEU A 76 -6.828 6.530 -13.111 1.00 0.00 C ATOM 1295 CD1 LEU A 76 -5.382 6.154 -12.838 1.00 0.00 C ATOM 1296 CD2 LEU A 76 -7.408 5.633 -14.189 1.00 0.00 C ATOM 0 H LEU A 76 -6.143 6.039 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.047 8.415 -11.251 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.553 5.459 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.724 6.551 -12.114 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.848 7.562 -13.460 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.808 6.220 -13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.962 6.837 -12.100 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.337 5.134 -12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.795 5.701 -15.088 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.422 4.602 -13.836 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.425 5.951 -14.419 1.00 0.00 H new ATOM 1308 N HIS A 77 -8.616 7.242 -8.704 1.00 0.00 N ATOM 1309 CA HIS A 77 -9.741 7.449 -7.804 1.00 0.00 C ATOM 1310 C HIS A 77 -9.716 8.891 -7.327 1.00 0.00 C ATOM 1311 O HIS A 77 -10.740 9.459 -6.949 1.00 0.00 O ATOM 1312 CB HIS A 77 -9.678 6.502 -6.600 1.00 0.00 C ATOM 1313 CG HIS A 77 -10.996 5.868 -6.288 1.00 0.00 C ATOM 1314 ND1 HIS A 77 -12.091 6.576 -5.848 1.00 0.00 N ATOM 1315 CD2 HIS A 77 -11.393 4.580 -6.371 1.00 0.00 C ATOM 1316 CE1 HIS A 77 -13.104 5.751 -5.672 1.00 0.00 C ATOM 1317 NE2 HIS A 77 -12.706 4.534 -5.982 1.00 0.00 N ATOM 0 H HIS A 77 -7.861 6.676 -8.317 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.666 7.238 -8.340 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.943 5.722 -6.796 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -9.331 7.055 -5.727 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -10.788 3.742 -6.685 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -14.091 6.026 -5.332 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -13.282 3.693 -5.939 1.00 0.00 H new ATOM 1326 N GLU A 78 -8.527 9.469 -7.364 1.00 0.00 N ATOM 1327 CA GLU A 78 -8.328 10.850 -6.958 1.00 0.00 C ATOM 1328 C GLU A 78 -7.849 11.684 -8.150 1.00 0.00 C ATOM 1329 O GLU A 78 -8.335 11.506 -9.269 1.00 0.00 O ATOM 1330 CB GLU A 78 -7.333 10.920 -5.794 1.00 0.00 C ATOM 1331 CG GLU A 78 -7.783 10.136 -4.572 1.00 0.00 C ATOM 1332 CD GLU A 78 -9.160 10.546 -4.060 1.00 0.00 C ATOM 1333 OE1 GLU A 78 -9.741 11.527 -4.570 1.00 0.00 O ATOM 1334 OE2 GLU A 78 -9.669 9.887 -3.133 1.00 0.00 O ATOM 0 H GLU A 78 -7.677 8.998 -7.674 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.276 11.264 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.368 10.539 -6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.185 11.963 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -7.796 9.074 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -7.052 10.271 -3.774 1.00 0.00 H new ATOM 1341 N GLY A 79 -6.904 12.585 -7.924 1.00 0.00 N ATOM 1342 CA GLY A 79 -6.404 13.403 -9.009 1.00 0.00 C ATOM 1343 C GLY A 79 -4.928 13.178 -9.269 1.00 0.00 C ATOM 1344 O GLY A 79 -4.159 14.131 -9.371 1.00 0.00 O ATOM 0 H GLY A 79 -6.477 12.763 -7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.968 13.183 -9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.573 14.454 -8.776 1.00 0.00 H new ATOM 1348 N TYR A 80 -4.528 11.914 -9.365 1.00 0.00 N ATOM 1349 CA TYR A 80 -3.130 11.563 -9.605 1.00 0.00 C ATOM 1350 C TYR A 80 -3.038 10.680 -10.851 1.00 0.00 C ATOM 1351 O TYR A 80 -2.296 9.696 -10.890 1.00 0.00 O ATOM 1352 CB TYR A 80 -2.530 10.819 -8.395 1.00 0.00 C ATOM 1353 CG TYR A 80 -2.737 11.495 -7.049 1.00 0.00 C ATOM 1354 CD1 TYR A 80 -4.001 11.616 -6.488 1.00 0.00 C ATOM 1355 CD2 TYR A 80 -1.660 11.989 -6.330 1.00 0.00 C ATOM 1356 CE1 TYR A 80 -4.182 12.215 -5.260 1.00 0.00 C ATOM 1357 CE2 TYR A 80 -1.828 12.585 -5.098 1.00 0.00 C ATOM 1358 CZ TYR A 80 -3.092 12.697 -4.569 1.00 0.00 C ATOM 1359 OH TYR A 80 -3.275 13.296 -3.343 1.00 0.00 O ATOM 0 H TYR A 80 -5.153 11.113 -9.280 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.562 12.481 -9.756 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.964 9.820 -8.352 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.460 10.695 -8.560 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -4.858 11.234 -7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.666 11.905 -6.744 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.173 12.306 -4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.974 12.960 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.408 13.581 -2.985 1.00 0.00 H new ATOM 1369 N LYS A 81 -3.834 11.024 -11.858 1.00 0.00 N ATOM 1370 CA LYS A 81 -3.896 10.258 -13.096 1.00 0.00 C ATOM 1371 C LYS A 81 -2.673 10.475 -13.991 1.00 0.00 C ATOM 1372 O LYS A 81 -2.365 9.630 -14.830 1.00 0.00 O ATOM 1373 CB LYS A 81 -5.177 10.612 -13.854 1.00 0.00 C ATOM 1374 CG LYS A 81 -5.448 9.722 -15.055 1.00 0.00 C ATOM 1375 CD LYS A 81 -6.781 10.058 -15.704 1.00 0.00 C ATOM 1376 CE LYS A 81 -6.818 11.496 -16.198 1.00 0.00 C ATOM 1377 NZ LYS A 81 -8.103 11.827 -16.867 1.00 0.00 N ATOM 0 H LYS A 81 -4.450 11.836 -11.839 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.901 9.202 -12.825 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.022 10.548 -13.169 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.115 11.648 -14.188 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.647 9.839 -15.785 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.446 8.677 -14.744 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.960 9.381 -16.539 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.586 9.899 -14.986 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.664 12.171 -15.357 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.995 11.661 -16.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.083 12.816 -17.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.239 11.201 -17.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.887 11.696 -16.197 1.00 0.00 H new ATOM 1391 N ASP A 82 -1.969 11.590 -13.813 1.00 0.00 N ATOM 1392 CA ASP A 82 -0.778 11.859 -14.622 1.00 0.00 C ATOM 1393 C ASP A 82 0.365 10.964 -14.176 1.00 0.00 C ATOM 1394 O ASP A 82 1.064 10.386 -15.008 1.00 0.00 O ATOM 1395 CB ASP A 82 -0.365 13.334 -14.550 1.00 0.00 C ATOM 1396 CG ASP A 82 0.764 13.669 -15.512 1.00 0.00 C ATOM 1397 OD1 ASP A 82 0.598 13.449 -16.728 1.00 0.00 O ATOM 1398 OD2 ASP A 82 1.816 14.159 -15.057 1.00 0.00 O ATOM 0 H ASP A 82 -2.195 12.312 -13.129 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.021 11.639 -15.662 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.228 13.961 -14.775 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.054 13.572 -13.533 1.00 0.00 H new ATOM 1403 N LEU A 83 0.527 10.809 -12.867 1.00 0.00 N ATOM 1404 CA LEU A 83 1.565 9.932 -12.341 1.00 0.00 C ATOM 1405 C LEU A 83 1.247 8.515 -12.789 1.00 0.00 C ATOM 1406 O LEU A 83 2.100 7.796 -13.288 1.00 0.00 O ATOM 1407 CB LEU A 83 1.612 10.008 -10.812 1.00 0.00 C ATOM 1408 CG LEU A 83 2.997 9.870 -10.166 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.665 8.548 -10.510 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.886 11.031 -10.574 1.00 0.00 C ATOM 0 H LEU A 83 -0.040 11.273 -12.158 1.00 0.00 H new ATOM 0 HA LEU A 83 2.541 10.240 -12.716 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.184 10.962 -10.504 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.968 9.226 -10.411 1.00 0.00 H new ATOM 0 HG LEU A 83 2.853 9.887 -9.086 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.642 8.498 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.045 7.724 -10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.788 8.473 -11.590 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.865 10.920 -10.109 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.998 11.040 -11.658 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.433 11.968 -10.249 1.00 0.00 H new ATOM 1422 N ALA A 84 -0.014 8.151 -12.635 1.00 0.00 N ATOM 1423 CA ALA A 84 -0.497 6.841 -13.046 1.00 0.00 C ATOM 1424 C ALA A 84 -0.273 6.615 -14.537 1.00 0.00 C ATOM 1425 O ALA A 84 0.097 5.521 -14.947 1.00 0.00 O ATOM 1426 CB ALA A 84 -1.967 6.704 -12.702 1.00 0.00 C ATOM 0 H ALA A 84 -0.730 8.750 -12.224 1.00 0.00 H new ATOM 0 HA ALA A 84 0.068 6.080 -12.507 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.323 5.722 -13.012 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.101 6.816 -11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.535 7.476 -13.220 1.00 0.00 H new ATOM 1432 N ALA A 85 -0.479 7.654 -15.343 1.00 0.00 N ATOM 1433 CA ALA A 85 -0.273 7.551 -16.787 1.00 0.00 C ATOM 1434 C ALA A 85 1.188 7.258 -17.082 1.00 0.00 C ATOM 1435 O ALA A 85 1.509 6.543 -18.030 1.00 0.00 O ATOM 1436 CB ALA A 85 -0.718 8.820 -17.497 1.00 0.00 C ATOM 0 H ALA A 85 -0.787 8.573 -15.024 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.882 6.730 -17.164 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -0.553 8.714 -18.569 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.778 8.990 -17.308 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.143 9.667 -17.123 1.00 0.00 H new ATOM 1442 N LEU A 86 2.074 7.782 -16.243 1.00 0.00 N ATOM 1443 CA LEU A 86 3.507 7.534 -16.393 1.00 0.00 C ATOM 1444 C LEU A 86 3.797 6.047 -16.179 1.00 0.00 C ATOM 1445 O LEU A 86 4.764 5.501 -16.700 1.00 0.00 O ATOM 1446 CB LEU A 86 4.297 8.347 -15.363 1.00 0.00 C ATOM 1447 CG LEU A 86 4.112 9.858 -15.435 1.00 0.00 C ATOM 1448 CD1 LEU A 86 4.704 10.525 -14.206 1.00 0.00 C ATOM 1449 CD2 LEU A 86 4.752 10.406 -16.696 1.00 0.00 C ATOM 0 H LEU A 86 1.829 8.380 -15.454 1.00 0.00 H new ATOM 0 HA LEU A 86 3.809 7.832 -17.397 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.012 8.011 -14.366 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.357 8.122 -15.485 1.00 0.00 H new ATOM 0 HG LEU A 86 3.044 10.076 -15.464 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.563 11.604 -14.274 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.205 10.150 -13.312 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.769 10.301 -14.148 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.612 11.486 -16.735 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.818 10.178 -16.692 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.286 9.948 -17.569 1.00 0.00 H new ATOM 1461 N LEU A 87 2.946 5.415 -15.378 1.00 0.00 N ATOM 1462 CA LEU A 87 3.074 3.999 -15.029 1.00 0.00 C ATOM 1463 C LEU A 87 2.177 3.129 -15.900 1.00 0.00 C ATOM 1464 O LEU A 87 2.268 1.902 -15.875 1.00 0.00 O ATOM 1465 CB LEU A 87 2.672 3.791 -13.574 1.00 0.00 C ATOM 1466 CG LEU A 87 3.654 4.259 -12.488 1.00 0.00 C ATOM 1467 CD1 LEU A 87 4.145 5.676 -12.714 1.00 0.00 C ATOM 1468 CD2 LEU A 87 2.998 4.156 -11.124 1.00 0.00 C ATOM 0 H LEU A 87 2.141 5.871 -14.948 1.00 0.00 H new ATOM 0 HA LEU A 87 4.113 3.712 -15.189 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.723 4.303 -13.412 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.490 2.727 -13.425 1.00 0.00 H new ATOM 0 HG LEU A 87 4.524 3.605 -12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.835 5.953 -11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.657 5.735 -13.674 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.296 6.360 -12.713 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.698 4.489 -10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.108 4.785 -11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.716 3.121 -10.933 1.00 0.00 H new ATOM 1480 N HIS A 88 1.296 3.776 -16.651 1.00 0.00 N ATOM 1481 CA HIS A 88 0.350 3.091 -17.525 1.00 0.00 C ATOM 1482 C HIS A 88 1.088 2.217 -18.529 1.00 0.00 C ATOM 1483 O HIS A 88 0.539 1.245 -19.036 1.00 0.00 O ATOM 1484 CB HIS A 88 -0.510 4.119 -18.259 1.00 0.00 C ATOM 1485 CG HIS A 88 -1.822 3.598 -18.778 1.00 0.00 C ATOM 1486 ND1 HIS A 88 -2.652 4.350 -19.577 1.00 0.00 N ATOM 1487 CD2 HIS A 88 -2.464 2.417 -18.580 1.00 0.00 C ATOM 1488 CE1 HIS A 88 -3.745 3.663 -19.851 1.00 0.00 C ATOM 1489 NE2 HIS A 88 -3.660 2.489 -19.257 1.00 0.00 N ATOM 0 H HIS A 88 1.216 4.793 -16.672 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.291 2.453 -16.917 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -0.709 4.952 -17.584 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.062 4.517 -19.097 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -2.104 1.580 -18.001 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.570 4.005 -20.459 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.366 1.754 -19.293 1.00 0.00 H new ATOM 1498 N ASP A 89 2.342 2.569 -18.783 1.00 0.00 N ATOM 1499 CA ASP A 89 3.194 1.817 -19.706 1.00 0.00 C ATOM 1500 C ASP A 89 3.531 0.440 -19.140 1.00 0.00 C ATOM 1501 O ASP A 89 4.031 -0.430 -19.852 1.00 0.00 O ATOM 1502 CB ASP A 89 4.490 2.580 -19.985 1.00 0.00 C ATOM 1503 CG ASP A 89 4.310 3.681 -21.002 1.00 0.00 C ATOM 1504 OD1 ASP A 89 3.197 3.813 -21.548 1.00 0.00 O ATOM 1505 OD2 ASP A 89 5.284 4.412 -21.271 1.00 0.00 O ATOM 0 H ASP A 89 2.798 3.377 -18.360 1.00 0.00 H new ATOM 0 HA ASP A 89 2.641 1.691 -20.637 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.862 3.008 -19.054 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.248 1.882 -20.341 1.00 0.00 H new ATOM 1510 N GLY A 90 3.255 0.255 -17.855 1.00 0.00 N ATOM 1511 CA GLY A 90 3.522 -1.010 -17.207 1.00 0.00 C ATOM 1512 C GLY A 90 2.254 -1.698 -16.743 1.00 0.00 C ATOM 1513 O GLY A 90 2.254 -2.899 -16.477 1.00 0.00 O ATOM 0 H GLY A 90 2.848 0.966 -17.248 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.056 -1.664 -17.897 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.178 -0.846 -16.352 1.00 0.00 H new ATOM 1517 N ILE A 91 1.167 -0.937 -16.645 1.00 0.00 N ATOM 1518 CA ILE A 91 -0.113 -1.484 -16.212 1.00 0.00 C ATOM 1519 C ILE A 91 -0.730 -2.335 -17.325 1.00 0.00 C ATOM 1520 O ILE A 91 -0.781 -1.909 -18.476 1.00 0.00 O ATOM 1521 CB ILE A 91 -1.079 -0.354 -15.794 1.00 0.00 C ATOM 1522 CG1 ILE A 91 -0.425 0.538 -14.733 1.00 0.00 C ATOM 1523 CG2 ILE A 91 -2.390 -0.919 -15.271 1.00 0.00 C ATOM 1524 CD1 ILE A 91 0.015 -0.198 -13.487 1.00 0.00 C ATOM 0 H ILE A 91 1.148 0.060 -16.860 1.00 0.00 H new ATOM 0 HA ILE A 91 0.061 -2.119 -15.343 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.298 0.247 -16.677 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.441 1.032 -15.174 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.128 1.321 -14.449 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.050 -0.101 -14.984 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.867 -1.514 -16.050 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.194 -1.548 -14.403 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.467 0.506 -12.789 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.849 -0.669 -13.019 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.745 -0.962 -13.754 1.00 0.00 H new ATOM 1536 N PRO A 92 -1.171 -3.565 -16.993 1.00 0.00 N ATOM 1537 CA PRO A 92 -1.756 -4.519 -17.953 1.00 0.00 C ATOM 1538 C PRO A 92 -2.786 -3.923 -18.924 1.00 0.00 C ATOM 1539 O PRO A 92 -2.790 -4.256 -20.113 1.00 0.00 O ATOM 1540 CB PRO A 92 -2.434 -5.545 -17.047 1.00 0.00 C ATOM 1541 CG PRO A 92 -1.614 -5.550 -15.807 1.00 0.00 C ATOM 1542 CD PRO A 92 -1.088 -4.148 -15.637 1.00 0.00 C ATOM 0 HA PRO A 92 -0.982 -4.911 -18.613 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -3.467 -5.268 -16.838 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.456 -6.531 -17.512 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.214 -5.846 -14.946 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.795 -6.265 -15.886 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.686 -3.582 -14.922 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.063 -4.149 -15.266 1.00 0.00 H new