USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 643 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 93 CYS SG : rot -149:sc= 0.154 USER MOD Set 1.2: A 96 CYS SG : rot 41:sc= 0.228 USER MOD Set 1.3: A 117 CYS SG : rot 71:sc= 0.524 USER MOD Set 1.4: A 120 CYS SG : rot 120:sc= -1.61 USER MOD Set 2.1: A 42 CYS SG : rot 142:sc= 1.31 USER MOD Set 2.2: A 45 CYS SG : rot -45:sc= -0.609 USER MOD Set 2.3: A 80 CYS SG : rot -151:sc= 1.1 USER MOD Set 2.4: A 83 CYS SG : rot 86:sc= -1.81 USER MOD Single : A 41 MET CE :methyl -176:sc= 0 (180deg=-0.018) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= -1.28 (180deg=-2.03) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -110:sc= -2.41 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.985 USER MOD Single : A 55 SER OG : rot 180:sc= -0.112 USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= -0.0425 (180deg=-0.376) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.674 K(o=-0.67,f=-4.4!) USER MOD Single : A 60 SER OG : rot 85:sc= 0.389 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 74:sc= -2.19! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.718 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0217 USER MOD Single : A 72 SER OG : rot -43:sc= 1.05 USER MOD Single : A 74 SER OG : rot -88:sc= 0.657 USER MOD Single : A 77 LYS NZ :NH3+ -133:sc= -0.0126 (180deg=-0.193) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00348 USER MOD Single : A 90 SER OG : rot 21:sc= 0.302 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1) USER MOD Single : A 98 GLN : amide:sc= -0.662 X(o=-0.66,f=-0.25) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.046) USER MOD Single : A 106 SER OG : rot 180:sc= -0.203 USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= -0.992 (180deg=-1.6) USER MOD Single : A 109 GLN : amide:sc= -5.06! C(o=-5.1!,f=-12!) USER MOD Single : A 111 HIS : no HD1:sc= -0.0567 K(o=-0.057,f=-0.6) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 122 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 3.622 18.057 -11.875 1.00 0.00 N ATOM 88 CA ASP A 37 3.355 17.116 -12.960 1.00 0.00 C ATOM 89 C ASP A 37 4.491 17.129 -13.975 1.00 0.00 C ATOM 90 O ASP A 37 4.419 16.476 -15.016 1.00 0.00 O ATOM 91 CB ASP A 37 2.042 17.477 -13.658 1.00 0.00 C ATOM 92 CG ASP A 37 0.866 17.245 -12.714 1.00 0.00 C ATOM 93 OD1 ASP A 37 1.080 16.652 -11.668 1.00 0.00 O ATOM 94 OD2 ASP A 37 -0.230 17.661 -13.052 1.00 0.00 O1- ATOM 0 HA ASP A 37 3.276 16.116 -12.533 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.064 18.520 -13.975 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.921 16.873 -14.557 1.00 0.00 H new ATOM 99 N ALA A 38 5.539 17.878 -13.662 1.00 0.00 N ATOM 100 CA ALA A 38 6.696 17.972 -14.547 1.00 0.00 C ATOM 101 C ALA A 38 7.562 16.725 -14.433 1.00 0.00 C ATOM 102 O ALA A 38 7.850 16.264 -13.333 1.00 0.00 O ATOM 103 CB ALA A 38 7.530 19.201 -14.193 1.00 0.00 C ATOM 0 H ALA A 38 5.614 18.428 -12.806 1.00 0.00 H new ATOM 0 HA ALA A 38 6.334 18.060 -15.571 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.390 19.261 -14.859 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.921 20.098 -14.305 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.875 19.122 -13.162 1.00 0.00 H new ATOM 109 N LEU A 39 7.981 16.187 -15.578 1.00 0.00 N ATOM 110 CA LEU A 39 8.827 14.993 -15.602 1.00 0.00 C ATOM 111 C LEU A 39 10.074 15.248 -16.439 1.00 0.00 C ATOM 112 O LEU A 39 9.985 15.529 -17.635 1.00 0.00 O ATOM 113 CB LEU A 39 8.046 13.819 -16.193 1.00 0.00 C ATOM 114 CG LEU A 39 6.858 13.476 -15.280 1.00 0.00 C ATOM 115 CD1 LEU A 39 5.851 12.621 -16.052 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.341 12.696 -14.048 1.00 0.00 C ATOM 0 H LEU A 39 7.749 16.558 -16.500 1.00 0.00 H new ATOM 0 HA LEU A 39 9.127 14.754 -14.582 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.689 14.073 -17.191 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.698 12.952 -16.299 1.00 0.00 H new ATOM 0 HG LEU A 39 6.386 14.403 -14.954 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.008 12.378 -15.405 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.494 13.175 -16.920 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.333 11.701 -16.382 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.489 12.460 -13.410 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.822 11.772 -14.368 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.055 13.302 -13.490 1.00 0.00 H new ATOM 128 N ILE A 40 11.235 15.150 -15.800 1.00 0.00 N ATOM 129 CA ILE A 40 12.510 15.374 -16.485 1.00 0.00 C ATOM 130 C ILE A 40 13.190 14.050 -16.786 1.00 0.00 C ATOM 131 O ILE A 40 13.184 13.135 -15.963 1.00 0.00 O ATOM 132 CB ILE A 40 13.429 16.230 -15.619 1.00 0.00 C ATOM 133 CG1 ILE A 40 12.788 17.607 -15.412 1.00 0.00 C ATOM 134 CG2 ILE A 40 14.779 16.400 -16.322 1.00 0.00 C ATOM 135 CD1 ILE A 40 11.557 17.504 -14.493 1.00 0.00 C ATOM 0 H ILE A 40 11.323 14.918 -14.811 1.00 0.00 H new ATOM 0 HA ILE A 40 12.309 15.893 -17.422 1.00 0.00 H new ATOM 0 HB ILE A 40 13.579 15.745 -14.654 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.517 18.291 -14.976 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.495 18.025 -16.375 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.437 17.012 -15.704 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.234 15.422 -16.478 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.629 16.888 -17.285 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.118 18.493 -14.360 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.821 16.838 -14.944 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.859 17.108 -13.523 1.00 0.00 H new ATOM 147 N MET A 41 13.772 13.951 -17.978 1.00 0.00 N ATOM 148 CA MET A 41 14.453 12.725 -18.388 1.00 0.00 C ATOM 149 C MET A 41 15.934 12.793 -18.012 1.00 0.00 C ATOM 150 O MET A 41 16.585 13.823 -18.191 1.00 0.00 O ATOM 151 CB MET A 41 14.307 12.531 -19.906 1.00 0.00 C ATOM 152 CG MET A 41 14.390 11.039 -20.241 1.00 0.00 C ATOM 153 SD MET A 41 14.246 10.808 -22.031 1.00 0.00 S ATOM 154 CE MET A 41 16.012 10.649 -22.382 1.00 0.00 C ATOM 0 H MET A 41 13.787 14.698 -18.672 1.00 0.00 H new ATOM 0 HA MET A 41 13.998 11.879 -17.873 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.355 12.938 -20.245 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.092 13.076 -20.430 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.335 10.629 -19.886 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.595 10.497 -19.729 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.163 10.568 -23.458 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.538 11.527 -22.007 1.00 0.00 H new ATOM 0 HE3 MET A 41 16.401 9.756 -21.892 1.00 0.00 H new ATOM 164 N CYS A 42 16.457 11.691 -17.485 1.00 0.00 N ATOM 165 CA CYS A 42 17.859 11.632 -17.078 1.00 0.00 C ATOM 166 C CYS A 42 18.785 11.406 -18.270 1.00 0.00 C ATOM 167 O CYS A 42 18.474 10.667 -19.194 1.00 0.00 O ATOM 168 CB CYS A 42 18.059 10.500 -16.067 1.00 0.00 C ATOM 169 SG CYS A 42 19.738 10.581 -15.383 1.00 0.00 S ATOM 0 H CYS A 42 15.935 10.829 -17.329 1.00 0.00 H new ATOM 0 HA CYS A 42 18.111 12.591 -16.626 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.325 10.581 -15.265 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.899 9.536 -16.549 1.00 0.00 H new ATOM 0 HG CYS A 42 19.706 10.280 -14.119 1.00 0.00 H new ATOM 174 N MET A 43 19.926 12.067 -18.248 1.00 0.00 N ATOM 175 CA MET A 43 20.889 11.929 -19.333 1.00 0.00 C ATOM 176 C MET A 43 21.716 10.661 -19.148 1.00 0.00 C ATOM 177 O MET A 43 22.560 10.332 -19.983 1.00 0.00 O ATOM 178 CB MET A 43 21.815 13.146 -19.360 1.00 0.00 C ATOM 179 CG MET A 43 22.525 13.309 -17.993 1.00 0.00 C ATOM 180 SD MET A 43 24.285 12.920 -18.161 1.00 0.00 S ATOM 181 CE MET A 43 24.789 14.502 -18.882 1.00 0.00 C ATOM 0 H MET A 43 20.211 12.700 -17.501 1.00 0.00 H new ATOM 0 HA MET A 43 20.347 11.863 -20.277 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.556 13.031 -20.151 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.241 14.044 -19.589 1.00 0.00 H new ATOM 0 HG2 MET A 43 22.402 14.329 -17.629 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.067 12.650 -17.255 1.00 0.00 H new ATOM 0 HE1 MET A 43 25.862 14.489 -19.074 1.00 0.00 H new ATOM 0 HE2 MET A 43 24.255 14.661 -19.819 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.554 15.309 -18.188 1.00 0.00 H new ATOM 191 N ARG A 44 21.479 9.951 -18.041 1.00 0.00 N ATOM 192 CA ARG A 44 22.214 8.721 -17.745 1.00 0.00 C ATOM 193 C ARG A 44 21.284 7.513 -17.768 1.00 0.00 C ATOM 194 O ARG A 44 21.104 6.871 -18.802 1.00 0.00 O ATOM 195 CB ARG A 44 22.872 8.845 -16.361 1.00 0.00 C ATOM 196 CG ARG A 44 24.168 9.686 -16.457 1.00 0.00 C ATOM 197 CD ARG A 44 25.385 8.762 -16.553 1.00 0.00 C ATOM 198 NE ARG A 44 25.293 7.931 -17.749 1.00 0.00 N ATOM 199 CZ ARG A 44 25.943 6.776 -17.835 1.00 0.00 C ATOM 200 NH1 ARG A 44 26.675 6.365 -16.836 1.00 0.00 N ATOM 201 NH2 ARG A 44 25.846 6.049 -18.915 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.786 10.207 -17.338 1.00 0.00 H new ATOM 0 HA ARG A 44 22.979 8.577 -18.508 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.178 9.311 -15.661 1.00 0.00 H new ATOM 0 HB3 ARG A 44 23.101 7.854 -15.970 1.00 0.00 H new ATOM 0 HG2 ARG A 44 24.125 10.337 -17.330 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.259 10.331 -15.583 1.00 0.00 H new ATOM 0 HD2 ARG A 44 26.299 9.355 -16.582 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.443 8.131 -15.666 1.00 0.00 H new ATOM 0 HE ARG A 44 24.719 8.243 -18.533 1.00 0.00 H new ATOM 0 HH11 ARG A 44 26.747 6.931 -15.990 1.00 0.00 H new ATOM 0 HH12 ARG A 44 27.175 5.478 -16.901 1.00 0.00 H new ATOM 0 HH21 ARG A 44 25.270 6.368 -19.694 1.00 0.00 H new ATOM 0 HH22 ARG A 44 26.346 5.162 -18.979 1.00 0.00 H new ATOM 215 N CYS A 45 20.699 7.208 -16.616 1.00 0.00 N ATOM 216 CA CYS A 45 19.798 6.070 -16.510 1.00 0.00 C ATOM 217 C CYS A 45 18.530 6.309 -17.322 1.00 0.00 C ATOM 218 O CYS A 45 17.647 5.453 -17.377 1.00 0.00 O ATOM 219 CB CYS A 45 19.435 5.815 -15.047 1.00 0.00 C ATOM 220 SG CYS A 45 18.449 7.195 -14.417 1.00 0.00 S ATOM 0 H CYS A 45 20.832 7.729 -15.749 1.00 0.00 H new ATOM 0 HA CYS A 45 20.309 5.194 -16.909 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.875 4.884 -14.958 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.341 5.700 -14.452 1.00 0.00 H new ATOM 0 HG CYS A 45 18.989 8.318 -14.786 1.00 0.00 H new ATOM 225 N ARG A 46 18.447 7.474 -17.952 1.00 0.00 N ATOM 226 CA ARG A 46 17.281 7.806 -18.761 1.00 0.00 C ATOM 227 C ARG A 46 15.993 7.490 -18.020 1.00 0.00 C ATOM 228 O ARG A 46 15.003 7.078 -18.625 1.00 0.00 O ATOM 229 CB ARG A 46 17.330 7.040 -20.082 1.00 0.00 C ATOM 230 CG ARG A 46 18.484 7.576 -20.934 1.00 0.00 C ATOM 231 CD ARG A 46 18.607 6.742 -22.205 1.00 0.00 C ATOM 232 NE ARG A 46 17.377 6.829 -22.990 1.00 0.00 N ATOM 233 CZ ARG A 46 17.177 7.816 -23.858 1.00 0.00 C ATOM 234 NH1 ARG A 46 18.090 8.734 -24.024 1.00 0.00 N ATOM 235 NH2 ARG A 46 16.067 7.869 -24.545 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.165 8.198 -17.920 1.00 0.00 H new ATOM 0 HA ARG A 46 17.299 8.877 -18.965 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.466 5.975 -19.893 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.386 7.151 -20.616 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.308 8.621 -21.188 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.416 7.538 -20.369 1.00 0.00 H new ATOM 0 HD2 ARG A 46 19.451 7.094 -22.799 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.809 5.702 -21.948 1.00 0.00 H new ATOM 0 HE ARG A 46 16.657 6.117 -22.869 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.957 8.694 -23.488 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.937 9.491 -24.690 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.353 7.153 -24.416 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.915 8.627 -25.211 1.00 0.00 H new ATOM 249 N LYS A 47 16.005 7.691 -16.706 1.00 0.00 N ATOM 250 CA LYS A 47 14.821 7.432 -15.894 1.00 0.00 C ATOM 251 C LYS A 47 13.948 8.677 -15.836 1.00 0.00 C ATOM 252 O LYS A 47 14.414 9.761 -15.485 1.00 0.00 O ATOM 253 CB LYS A 47 15.234 7.024 -14.479 1.00 0.00 C ATOM 254 CG LYS A 47 14.003 6.549 -13.708 1.00 0.00 C ATOM 255 CD LYS A 47 14.434 6.018 -12.340 1.00 0.00 C ATOM 256 CE LYS A 47 13.224 5.420 -11.622 1.00 0.00 C ATOM 257 NZ LYS A 47 12.162 6.453 -11.491 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.814 8.029 -16.184 1.00 0.00 H new ATOM 0 HA LYS A 47 14.254 6.619 -16.348 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.979 6.230 -14.521 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.695 7.868 -13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.298 7.371 -13.586 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.489 5.768 -14.268 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.210 5.262 -12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.863 6.823 -11.744 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.845 4.563 -12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.516 5.057 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.681 6.342 -10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.590 7.399 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.472 6.341 -12.261 1.00 0.00 H new ATOM 271 N VAL A 48 12.676 8.517 -16.194 1.00 0.00 N ATOM 272 CA VAL A 48 11.737 9.641 -16.199 1.00 0.00 C ATOM 273 C VAL A 48 10.967 9.697 -14.883 1.00 0.00 C ATOM 274 O VAL A 48 10.361 8.712 -14.470 1.00 0.00 O ATOM 275 CB VAL A 48 10.749 9.504 -17.380 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.451 10.883 -17.982 1.00 0.00 C ATOM 277 CG2 VAL A 48 11.357 8.599 -18.456 1.00 0.00 C ATOM 0 H VAL A 48 12.272 7.626 -16.483 1.00 0.00 H new ATOM 0 HA VAL A 48 12.304 10.565 -16.314 1.00 0.00 H new ATOM 0 HB VAL A 48 9.820 9.066 -17.015 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.754 10.774 -18.813 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.010 11.525 -17.220 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.377 11.331 -18.342 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.659 8.503 -19.288 1.00 0.00 H new ATOM 0 HG22 VAL A 48 12.290 9.035 -18.813 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.555 7.614 -18.034 1.00 0.00 H new ATOM 287 N LYS A 49 10.996 10.857 -14.241 1.00 0.00 N ATOM 288 CA LYS A 49 10.298 11.041 -12.976 1.00 0.00 C ATOM 289 C LYS A 49 10.116 12.529 -12.686 1.00 0.00 C ATOM 290 O LYS A 49 10.638 13.386 -13.399 1.00 0.00 O ATOM 291 CB LYS A 49 11.080 10.359 -11.833 1.00 0.00 C ATOM 292 CG LYS A 49 10.357 9.085 -11.354 1.00 0.00 C ATOM 293 CD LYS A 49 9.203 9.475 -10.429 1.00 0.00 C ATOM 294 CE LYS A 49 8.468 8.217 -9.981 1.00 0.00 C ATOM 295 NZ LYS A 49 7.350 8.598 -9.077 1.00 0.00 N1+ ATOM 0 H LYS A 49 11.494 11.683 -14.574 1.00 0.00 H new ATOM 0 HA LYS A 49 9.313 10.579 -13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.084 10.105 -12.175 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.193 11.053 -11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.979 8.524 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.055 8.433 -10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.583 10.016 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.517 10.145 -10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.083 7.678 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.154 7.544 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.846 7.742 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.730 9.094 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.692 9.224 -9.584 1.00 0.00 H new ATOM 309 N GLY A 50 9.365 12.820 -11.631 1.00 0.00 N ATOM 310 CA GLY A 50 9.102 14.200 -11.236 1.00 0.00 C ATOM 311 C GLY A 50 10.110 14.672 -10.200 1.00 0.00 C ATOM 312 O GLY A 50 11.114 14.006 -9.948 1.00 0.00 O ATOM 0 H GLY A 50 8.927 12.119 -11.033 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.145 14.847 -12.112 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.094 14.280 -10.830 1.00 0.00 H new ATOM 316 N ILE A 51 9.842 15.829 -9.605 1.00 0.00 N ATOM 317 CA ILE A 51 10.742 16.381 -8.597 1.00 0.00 C ATOM 318 C ILE A 51 11.036 15.349 -7.502 1.00 0.00 C ATOM 319 O ILE A 51 11.861 15.587 -6.621 1.00 0.00 O ATOM 320 CB ILE A 51 10.112 17.627 -7.971 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.133 18.319 -7.064 1.00 0.00 C ATOM 322 CG2 ILE A 51 8.889 17.224 -7.143 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.640 19.722 -6.726 1.00 0.00 C ATOM 0 H ILE A 51 9.018 16.398 -9.800 1.00 0.00 H new ATOM 0 HA ILE A 51 11.681 16.647 -9.083 1.00 0.00 H new ATOM 0 HB ILE A 51 9.806 18.311 -8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.275 17.741 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.101 18.372 -7.562 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.442 18.113 -6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.159 16.734 -7.787 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.194 16.537 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.365 20.217 -6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.520 20.297 -7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.681 19.657 -6.211 1.00 0.00 H new ATOM 335 N ASP A 52 10.370 14.198 -7.566 1.00 0.00 N ATOM 336 CA ASP A 52 10.585 13.149 -6.579 1.00 0.00 C ATOM 337 C ASP A 52 11.947 12.492 -6.780 1.00 0.00 C ATOM 338 O ASP A 52 12.712 12.322 -5.833 1.00 0.00 O ATOM 339 CB ASP A 52 9.482 12.098 -6.707 1.00 0.00 C ATOM 340 CG ASP A 52 9.565 11.113 -5.549 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.590 11.093 -4.889 1.00 0.00 O ATOM 342 OD2 ASP A 52 8.602 10.395 -5.338 1.00 0.00 O1- ATOM 0 H ASP A 52 9.683 13.972 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 52 10.559 13.592 -5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.506 12.582 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.582 11.568 -7.654 1.00 0.00 H new ATOM 347 N SER A 53 12.238 12.128 -8.027 1.00 0.00 N ATOM 348 CA SER A 53 13.520 11.492 -8.353 1.00 0.00 C ATOM 349 C SER A 53 14.552 12.534 -8.770 1.00 0.00 C ATOM 350 O SER A 53 15.695 12.200 -9.079 1.00 0.00 O ATOM 351 CB SER A 53 13.344 10.472 -9.478 1.00 0.00 C ATOM 352 OG SER A 53 12.111 9.796 -9.291 1.00 0.00 O ATOM 0 H SER A 53 11.614 12.259 -8.823 1.00 0.00 H new ATOM 0 HA SER A 53 13.874 10.981 -7.458 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.358 10.972 -10.447 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.169 9.760 -9.475 1.00 0.00 H new ATOM 0 HG SER A 53 12.283 8.868 -9.028 1.00 0.00 H new ATOM 358 N TYR A 54 14.137 13.800 -8.779 1.00 0.00 N ATOM 359 CA TYR A 54 15.021 14.903 -9.164 1.00 0.00 C ATOM 360 C TYR A 54 15.212 15.867 -7.999 1.00 0.00 C ATOM 361 O TYR A 54 14.245 16.369 -7.426 1.00 0.00 O ATOM 362 CB TYR A 54 14.423 15.649 -10.378 1.00 0.00 C ATOM 363 CG TYR A 54 14.970 15.068 -11.668 1.00 0.00 C ATOM 364 CD1 TYR A 54 14.781 13.713 -11.966 1.00 0.00 C ATOM 365 CD2 TYR A 54 15.672 15.886 -12.561 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.296 13.178 -13.148 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.184 15.350 -13.743 1.00 0.00 C ATOM 368 CZ TYR A 54 15.996 13.996 -14.038 1.00 0.00 C ATOM 369 OH TYR A 54 16.501 13.467 -15.204 1.00 0.00 O ATOM 0 H TYR A 54 13.193 14.089 -8.524 1.00 0.00 H new ATOM 0 HA TYR A 54 15.995 14.495 -9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.336 15.567 -10.365 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.664 16.710 -10.317 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.236 13.081 -11.280 1.00 0.00 H new ATOM 0 HD2 TYR A 54 15.817 16.932 -12.335 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.153 12.132 -13.374 1.00 0.00 H new ATOM 0 HE2 TYR A 54 16.726 15.982 -14.431 1.00 0.00 H new ATOM 0 HH TYR A 54 16.959 14.170 -15.711 1.00 0.00 H new ATOM 379 N SER A 55 16.470 16.126 -7.667 1.00 0.00 N ATOM 380 CA SER A 55 16.790 17.036 -6.580 1.00 0.00 C ATOM 381 C SER A 55 16.239 18.424 -6.876 1.00 0.00 C ATOM 382 O SER A 55 16.025 18.783 -8.034 1.00 0.00 O ATOM 383 CB SER A 55 18.305 17.112 -6.398 1.00 0.00 C ATOM 384 OG SER A 55 18.625 18.258 -5.621 1.00 0.00 O ATOM 0 H SER A 55 17.281 15.720 -8.134 1.00 0.00 H new ATOM 0 HA SER A 55 16.334 16.663 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.670 16.211 -5.906 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.798 17.167 -7.369 1.00 0.00 H new ATOM 0 HG SER A 55 19.596 18.310 -5.500 1.00 0.00 H new ATOM 390 N LYS A 56 16.007 19.197 -5.822 1.00 0.00 N ATOM 391 CA LYS A 56 15.475 20.544 -5.982 1.00 0.00 C ATOM 392 C LYS A 56 16.438 21.411 -6.784 1.00 0.00 C ATOM 393 O LYS A 56 16.022 22.163 -7.665 1.00 0.00 O ATOM 394 CB LYS A 56 15.239 21.179 -4.609 1.00 0.00 C ATOM 395 CG LYS A 56 14.084 20.462 -3.905 1.00 0.00 C ATOM 396 CD LYS A 56 13.857 21.092 -2.529 1.00 0.00 C ATOM 397 CE LYS A 56 12.765 20.319 -1.786 1.00 0.00 C ATOM 398 NZ LYS A 56 11.479 20.439 -2.528 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.177 18.917 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 56 14.530 20.478 -6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.144 21.112 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.009 22.238 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.177 20.535 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.311 19.401 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.783 21.078 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.567 22.137 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.047 19.270 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.652 20.710 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.691 20.174 -1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.352 21.421 -2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.494 19.806 -3.353 1.00 0.00 H new ATOM 412 N THR A 57 17.725 21.302 -6.474 1.00 0.00 N ATOM 413 CA THR A 57 18.731 22.084 -7.179 1.00 0.00 C ATOM 414 C THR A 57 18.773 21.697 -8.654 1.00 0.00 C ATOM 415 O THR A 57 18.732 22.556 -9.528 1.00 0.00 O ATOM 416 CB THR A 57 20.106 21.850 -6.551 1.00 0.00 C ATOM 417 OG1 THR A 57 20.010 21.994 -5.142 1.00 0.00 O ATOM 418 CG2 THR A 57 21.104 22.873 -7.100 1.00 0.00 C ATOM 0 H THR A 57 18.092 20.687 -5.748 1.00 0.00 H new ATOM 0 HA THR A 57 18.468 23.139 -7.098 1.00 0.00 H new ATOM 0 HB THR A 57 20.449 20.844 -6.794 1.00 0.00 H new ATOM 0 HG1 THR A 57 20.890 21.843 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.083 22.704 -6.651 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.178 22.765 -8.182 1.00 0.00 H new ATOM 0 HG23 THR A 57 20.763 23.880 -6.858 1.00 0.00 H new ATOM 426 N GLN A 58 18.851 20.397 -8.921 1.00 0.00 N ATOM 427 CA GLN A 58 18.903 19.910 -10.297 1.00 0.00 C ATOM 428 C GLN A 58 17.606 20.240 -11.030 1.00 0.00 C ATOM 429 O GLN A 58 17.622 20.647 -12.190 1.00 0.00 O ATOM 430 CB GLN A 58 19.124 18.397 -10.301 1.00 0.00 C ATOM 431 CG GLN A 58 20.405 18.066 -9.528 1.00 0.00 C ATOM 432 CD GLN A 58 21.619 18.666 -10.231 1.00 0.00 C ATOM 433 OE1 GLN A 58 21.782 18.502 -11.438 1.00 0.00 O ATOM 434 NE2 GLN A 58 22.487 19.349 -9.539 1.00 0.00 N ATOM 0 H GLN A 58 18.879 19.666 -8.210 1.00 0.00 H new ATOM 0 HA GLN A 58 19.730 20.401 -10.810 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.271 17.893 -9.846 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.200 18.033 -11.325 1.00 0.00 H new ATOM 0 HG2 GLN A 58 20.336 18.455 -8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.520 16.985 -9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 58 22.349 19.483 -8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 58 23.305 19.749 -9.999 1.00 0.00 H new ATOM 443 N TRP A 59 16.485 20.065 -10.344 1.00 0.00 N ATOM 444 CA TRP A 59 15.182 20.351 -10.932 1.00 0.00 C ATOM 445 C TRP A 59 15.064 21.835 -11.276 1.00 0.00 C ATOM 446 O TRP A 59 14.477 22.205 -12.291 1.00 0.00 O ATOM 447 CB TRP A 59 14.068 19.954 -9.961 1.00 0.00 C ATOM 448 CG TRP A 59 12.743 20.082 -10.644 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.193 19.146 -11.452 1.00 0.00 C ATOM 450 CD2 TRP A 59 11.793 21.184 -10.592 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.966 19.605 -11.899 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.677 20.857 -11.399 1.00 0.00 C ATOM 453 CE3 TRP A 59 11.792 22.423 -9.931 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.599 21.730 -11.545 1.00 0.00 C ATOM 455 CZ3 TRP A 59 10.708 23.306 -10.076 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.615 22.960 -10.883 1.00 0.00 C ATOM 0 H TRP A 59 16.450 19.727 -9.382 1.00 0.00 H new ATOM 0 HA TRP A 59 15.082 19.770 -11.849 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.216 18.929 -9.620 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.097 20.591 -9.077 1.00 0.00 H new ATOM 0 HD1 TRP A 59 12.639 18.196 -11.707 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.351 19.081 -12.522 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.629 22.699 -9.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.758 21.457 -12.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 10.717 24.256 -9.563 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.786 23.644 -10.993 1.00 0.00 H new ATOM 467 N SER A 60 15.629 22.678 -10.417 1.00 0.00 N ATOM 468 CA SER A 60 15.589 24.124 -10.627 1.00 0.00 C ATOM 469 C SER A 60 16.537 24.540 -11.750 1.00 0.00 C ATOM 470 O SER A 60 16.345 25.577 -12.384 1.00 0.00 O ATOM 471 CB SER A 60 15.978 24.851 -9.337 1.00 0.00 C ATOM 472 OG SER A 60 14.905 24.762 -8.408 1.00 0.00 O ATOM 0 H SER A 60 16.119 22.387 -9.571 1.00 0.00 H new ATOM 0 HA SER A 60 14.572 24.397 -10.910 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.879 24.408 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.206 25.896 -9.549 1.00 0.00 H new ATOM 0 HG SER A 60 14.964 23.914 -7.920 1.00 0.00 H new ATOM 478 N LYS A 61 17.558 23.724 -11.990 1.00 0.00 N ATOM 479 CA LYS A 61 18.525 24.020 -13.039 1.00 0.00 C ATOM 480 C LYS A 61 17.883 23.876 -14.414 1.00 0.00 C ATOM 481 O LYS A 61 18.385 24.410 -15.403 1.00 0.00 O ATOM 482 CB LYS A 61 19.734 23.080 -12.931 1.00 0.00 C ATOM 483 CG LYS A 61 20.698 23.592 -11.855 1.00 0.00 C ATOM 484 CD LYS A 61 21.864 22.608 -11.689 1.00 0.00 C ATOM 485 CE LYS A 61 22.897 22.828 -12.801 1.00 0.00 C ATOM 486 NZ LYS A 61 24.110 22.018 -12.517 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.736 22.860 -11.477 1.00 0.00 H new ATOM 0 HA LYS A 61 18.861 25.049 -12.913 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.401 22.072 -12.684 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.246 23.020 -13.891 1.00 0.00 H new ATOM 0 HG2 LYS A 61 21.077 24.576 -12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.171 23.709 -10.908 1.00 0.00 H new ATOM 0 HD2 LYS A 61 22.332 22.746 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.494 21.583 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.475 22.545 -13.765 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.159 23.884 -12.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.811 22.167 -13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.516 22.309 -11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.853 21.011 -12.477 1.00 0.00 H new ATOM 500 N THR A 62 16.783 23.140 -14.470 1.00 0.00 N ATOM 501 CA THR A 62 16.097 22.920 -15.734 1.00 0.00 C ATOM 502 C THR A 62 15.299 24.153 -16.141 1.00 0.00 C ATOM 503 O THR A 62 14.674 24.176 -17.201 1.00 0.00 O ATOM 504 CB THR A 62 15.159 21.720 -15.620 1.00 0.00 C ATOM 505 OG1 THR A 62 14.127 22.017 -14.688 1.00 0.00 O ATOM 506 CG2 THR A 62 15.944 20.498 -15.140 1.00 0.00 C ATOM 0 H THR A 62 16.350 22.689 -13.664 1.00 0.00 H new ATOM 0 HA THR A 62 16.849 22.723 -16.498 1.00 0.00 H new ATOM 0 HB THR A 62 14.721 21.507 -16.595 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.488 22.639 -15.095 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.273 19.643 -15.059 1.00 0.00 H new ATOM 0 HG22 THR A 62 16.736 20.271 -15.853 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.383 20.708 -14.165 1.00 0.00 H new ATOM 514 N PHE A 63 15.315 25.175 -15.289 1.00 0.00 N ATOM 515 CA PHE A 63 14.587 26.412 -15.558 1.00 0.00 C ATOM 516 C PHE A 63 15.541 27.595 -15.523 1.00 0.00 C ATOM 517 O PHE A 63 16.493 27.619 -14.741 1.00 0.00 O ATOM 518 CB PHE A 63 13.505 26.615 -14.496 1.00 0.00 C ATOM 519 CG PHE A 63 12.580 25.428 -14.490 1.00 0.00 C ATOM 520 CD1 PHE A 63 12.874 24.324 -13.687 1.00 0.00 C ATOM 521 CD2 PHE A 63 11.433 25.436 -15.284 1.00 0.00 C ATOM 522 CE1 PHE A 63 12.019 23.216 -13.678 1.00 0.00 C ATOM 523 CE2 PHE A 63 10.573 24.328 -15.279 1.00 0.00 C ATOM 524 CZ PHE A 63 10.866 23.218 -14.474 1.00 0.00 C ATOM 0 H PHE A 63 15.825 25.171 -14.406 1.00 0.00 H new ATOM 0 HA PHE A 63 14.129 26.342 -16.545 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.962 26.738 -13.514 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.944 27.526 -14.703 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.762 24.325 -13.072 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.208 26.293 -15.901 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.248 22.361 -13.059 1.00 0.00 H new ATOM 0 HE2 PHE A 63 9.686 24.330 -15.895 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.203 22.365 -14.468 1.00 0.00 H new ATOM 534 N THR A 64 15.277 28.578 -16.376 1.00 0.00 N ATOM 535 CA THR A 64 16.106 29.776 -16.450 1.00 0.00 C ATOM 536 C THR A 64 15.241 31.018 -16.335 1.00 0.00 C ATOM 537 O THR A 64 14.036 30.979 -16.577 1.00 0.00 O ATOM 538 CB THR A 64 16.874 29.801 -17.780 1.00 0.00 C ATOM 539 OG1 THR A 64 15.986 29.489 -18.842 1.00 0.00 O ATOM 540 CG2 THR A 64 18.017 28.780 -17.745 1.00 0.00 C ATOM 0 H THR A 64 14.493 28.569 -17.028 1.00 0.00 H new ATOM 0 HA THR A 64 16.818 29.761 -15.625 1.00 0.00 H new ATOM 0 HB THR A 64 17.293 30.795 -17.935 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.474 29.506 -19.692 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.556 28.805 -18.692 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.700 29.026 -16.932 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.609 27.782 -17.586 1.00 0.00 H new ATOM 548 N PHE A 65 15.868 32.118 -15.950 1.00 0.00 N ATOM 549 CA PHE A 65 15.161 33.390 -15.792 1.00 0.00 C ATOM 550 C PHE A 65 15.456 34.315 -16.969 1.00 0.00 C ATOM 551 O PHE A 65 16.606 34.678 -17.218 1.00 0.00 O ATOM 552 CB PHE A 65 15.589 34.065 -14.466 1.00 0.00 C ATOM 553 CG PHE A 65 14.367 34.486 -13.677 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.438 33.520 -13.281 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.158 35.834 -13.354 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.297 33.897 -12.567 1.00 0.00 C ATOM 557 CE2 PHE A 65 13.018 36.209 -12.636 1.00 0.00 C ATOM 558 CZ PHE A 65 12.089 35.242 -12.244 1.00 0.00 C ATOM 0 H PHE A 65 16.865 32.161 -15.740 1.00 0.00 H new ATOM 0 HA PHE A 65 14.089 33.195 -15.766 1.00 0.00 H new ATOM 0 HB2 PHE A 65 16.192 33.375 -13.876 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.213 34.934 -14.676 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.602 32.481 -13.527 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.876 36.581 -13.659 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.577 33.151 -12.265 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.856 37.247 -12.384 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.209 35.533 -11.691 1.00 0.00 H new ATOM 568 N VAL A 66 14.400 34.702 -17.681 1.00 0.00 N ATOM 569 CA VAL A 66 14.534 35.597 -18.828 1.00 0.00 C ATOM 570 C VAL A 66 13.571 36.774 -18.698 1.00 0.00 C ATOM 571 O VAL A 66 12.386 36.594 -18.415 1.00 0.00 O ATOM 572 CB VAL A 66 14.254 34.828 -20.123 1.00 0.00 C ATOM 573 CG1 VAL A 66 14.121 35.811 -21.290 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.414 33.868 -20.396 1.00 0.00 C ATOM 0 H VAL A 66 13.443 34.410 -17.484 1.00 0.00 H new ATOM 0 HA VAL A 66 15.553 35.983 -18.856 1.00 0.00 H new ATOM 0 HB VAL A 66 13.325 34.266 -20.020 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.922 35.260 -22.209 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.299 36.499 -21.094 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.048 36.375 -21.398 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.221 33.317 -21.317 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.339 34.435 -20.499 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.509 33.167 -19.567 1.00 0.00 H new ATOM 584 N ARG A 67 14.090 37.976 -18.914 1.00 0.00 N ATOM 585 CA ARG A 67 13.272 39.179 -18.826 1.00 0.00 C ATOM 586 C ARG A 67 12.496 39.211 -17.514 1.00 0.00 C ATOM 587 O ARG A 67 11.426 39.813 -17.430 1.00 0.00 O ATOM 588 CB ARG A 67 12.294 39.229 -20.003 1.00 0.00 C ATOM 589 CG ARG A 67 13.072 39.430 -21.306 1.00 0.00 C ATOM 590 CD ARG A 67 12.101 39.439 -22.490 1.00 0.00 C ATOM 591 NE ARG A 67 11.287 40.650 -22.466 1.00 0.00 N ATOM 592 CZ ARG A 67 10.341 40.860 -23.377 1.00 0.00 C ATOM 593 NH1 ARG A 67 10.123 39.973 -24.309 1.00 0.00 N ATOM 594 NH2 ARG A 67 9.634 41.956 -23.342 1.00 0.00 N1+ ATOM 0 H ARG A 67 15.068 38.144 -19.150 1.00 0.00 H new ATOM 0 HA ARG A 67 13.931 40.046 -18.861 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.718 38.305 -20.050 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.582 40.042 -19.863 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.625 40.369 -21.270 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.805 38.633 -21.430 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.657 39.384 -23.426 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.458 38.559 -22.449 1.00 0.00 H new ATOM 0 HE ARG A 67 11.446 41.347 -21.738 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.678 39.118 -24.339 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.397 40.135 -25.007 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.807 42.651 -22.616 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.908 42.117 -24.041 1.00 0.00 H new ATOM 608 N GLY A 68 13.045 38.565 -16.490 1.00 0.00 N ATOM 609 CA GLY A 68 12.399 38.536 -15.188 1.00 0.00 C ATOM 610 C GLY A 68 11.236 37.550 -15.176 1.00 0.00 C ATOM 611 O GLY A 68 10.359 37.620 -14.316 1.00 0.00 O ATOM 0 H GLY A 68 13.929 38.059 -16.538 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.125 38.257 -14.424 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.038 39.533 -14.935 1.00 0.00 H new ATOM 615 N ARG A 69 11.235 36.632 -16.144 1.00 0.00 N ATOM 616 CA ARG A 69 10.173 35.628 -16.251 1.00 0.00 C ATOM 617 C ARG A 69 10.759 34.222 -16.212 1.00 0.00 C ATOM 618 O ARG A 69 11.854 33.979 -16.719 1.00 0.00 O ATOM 619 CB ARG A 69 9.402 35.823 -17.557 1.00 0.00 C ATOM 620 CG ARG A 69 8.239 34.829 -17.611 1.00 0.00 C ATOM 621 CD ARG A 69 7.389 35.101 -18.852 1.00 0.00 C ATOM 622 NE ARG A 69 8.148 34.804 -20.060 1.00 0.00 N ATOM 623 CZ ARG A 69 7.648 35.054 -21.263 1.00 0.00 C ATOM 624 NH1 ARG A 69 6.459 35.578 -21.379 1.00 0.00 N ATOM 625 NH2 ARG A 69 8.344 34.775 -22.330 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.955 36.562 -16.863 1.00 0.00 H new ATOM 0 HA ARG A 69 9.496 35.751 -15.406 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.026 36.844 -17.622 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.064 35.672 -18.410 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.621 33.808 -17.636 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.628 34.919 -16.713 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.486 34.492 -18.823 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.070 36.143 -18.862 1.00 0.00 H new ATOM 0 HE ARG A 69 9.080 34.397 -19.979 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.914 35.795 -20.545 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.074 35.770 -22.304 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.273 34.364 -22.240 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.959 34.967 -23.255 1.00 0.00 H new ATOM 639 N THR A 70 10.022 33.299 -15.601 1.00 0.00 N ATOM 640 CA THR A 70 10.479 31.921 -15.497 1.00 0.00 C ATOM 641 C THR A 70 10.276 31.197 -16.823 1.00 0.00 C ATOM 642 O THR A 70 9.162 31.141 -17.348 1.00 0.00 O ATOM 643 CB THR A 70 9.703 31.195 -14.395 1.00 0.00 C ATOM 644 OG1 THR A 70 9.789 31.939 -13.189 1.00 0.00 O ATOM 645 CG2 THR A 70 10.294 29.801 -14.183 1.00 0.00 C ATOM 0 H THR A 70 9.113 33.480 -15.174 1.00 0.00 H new ATOM 0 HA THR A 70 11.541 31.924 -15.251 1.00 0.00 H new ATOM 0 HB THR A 70 8.658 31.100 -14.689 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.291 31.476 -12.483 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.740 29.286 -13.398 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.224 29.231 -15.110 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.340 29.890 -13.890 1.00 0.00 H new ATOM 653 N VAL A 71 11.358 30.639 -17.360 1.00 0.00 N ATOM 654 CA VAL A 71 11.300 29.914 -18.630 1.00 0.00 C ATOM 655 C VAL A 71 12.010 28.567 -18.510 1.00 0.00 C ATOM 656 O VAL A 71 13.112 28.477 -17.968 1.00 0.00 O ATOM 657 CB VAL A 71 11.954 30.749 -19.734 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.024 31.900 -20.126 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.277 31.322 -19.224 1.00 0.00 C ATOM 0 H VAL A 71 12.286 30.674 -16.937 1.00 0.00 H new ATOM 0 HA VAL A 71 10.255 29.736 -18.883 1.00 0.00 H new ATOM 0 HB VAL A 71 12.138 30.117 -20.603 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.491 32.494 -20.912 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.079 31.497 -20.489 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.839 32.531 -19.256 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.743 31.917 -20.010 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.089 31.952 -18.355 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.943 30.506 -18.943 1.00 0.00 H new ATOM 669 N SER A 72 11.367 27.524 -19.023 1.00 0.00 N ATOM 670 CA SER A 72 11.942 26.185 -18.970 1.00 0.00 C ATOM 671 C SER A 72 13.147 26.088 -19.899 1.00 0.00 C ATOM 672 O SER A 72 13.146 26.643 -20.996 1.00 0.00 O ATOM 673 CB SER A 72 10.889 25.149 -19.377 1.00 0.00 C ATOM 674 OG SER A 72 9.983 24.957 -18.299 1.00 0.00 O ATOM 0 H SER A 72 10.455 27.578 -19.477 1.00 0.00 H new ATOM 0 HA SER A 72 12.268 25.985 -17.949 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.352 25.487 -20.263 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.370 24.206 -19.636 1.00 0.00 H new ATOM 0 HG SER A 72 10.483 24.902 -17.458 1.00 0.00 H new ATOM 680 N VAL A 73 14.175 25.374 -19.448 1.00 0.00 N ATOM 681 CA VAL A 73 15.383 25.205 -20.244 1.00 0.00 C ATOM 682 C VAL A 73 15.081 24.385 -21.496 1.00 0.00 C ATOM 683 O VAL A 73 14.355 23.393 -21.438 1.00 0.00 O ATOM 684 CB VAL A 73 16.466 24.514 -19.414 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.657 24.162 -20.311 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.932 25.452 -18.293 1.00 0.00 C ATOM 0 H VAL A 73 14.194 24.907 -18.542 1.00 0.00 H new ATOM 0 HA VAL A 73 15.742 26.188 -20.547 1.00 0.00 H new ATOM 0 HB VAL A 73 16.058 23.602 -18.979 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.427 23.670 -19.717 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.328 23.492 -21.106 1.00 0.00 H new ATOM 0 HG13 VAL A 73 18.064 25.073 -20.749 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.704 24.958 -17.703 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.337 26.366 -18.728 1.00 0.00 H new ATOM 0 HG23 VAL A 73 16.087 25.700 -17.651 1.00 0.00 H new ATOM 696 N SER A 74 15.655 24.798 -22.621 1.00 0.00 N ATOM 697 CA SER A 74 15.454 24.086 -23.878 1.00 0.00 C ATOM 698 C SER A 74 16.153 22.727 -23.858 1.00 0.00 C ATOM 699 O SER A 74 15.601 21.725 -24.312 1.00 0.00 O ATOM 700 CB SER A 74 15.986 24.918 -25.042 1.00 0.00 C ATOM 701 OG SER A 74 16.141 24.082 -26.181 1.00 0.00 O ATOM 0 H SER A 74 16.259 25.617 -22.689 1.00 0.00 H new ATOM 0 HA SER A 74 14.384 23.923 -24.005 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.299 25.734 -25.266 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.941 25.370 -24.775 1.00 0.00 H new ATOM 0 HG SER A 74 17.033 23.675 -26.169 1.00 0.00 H new ATOM 707 N ASP A 75 17.381 22.703 -23.333 1.00 0.00 N ATOM 708 CA ASP A 75 18.165 21.467 -23.260 1.00 0.00 C ATOM 709 C ASP A 75 18.697 21.261 -21.842 1.00 0.00 C ATOM 710 O ASP A 75 19.861 21.551 -21.561 1.00 0.00 O ATOM 711 CB ASP A 75 19.334 21.538 -24.243 1.00 0.00 C ATOM 712 CG ASP A 75 18.797 21.545 -25.670 1.00 0.00 C ATOM 713 OD1 ASP A 75 18.507 20.474 -26.178 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 18.678 22.621 -26.233 1.00 0.00 O ATOM 0 H ASP A 75 17.853 23.523 -22.953 1.00 0.00 H new ATOM 0 HA ASP A 75 17.522 20.627 -23.522 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.923 22.437 -24.060 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.998 20.686 -24.097 1.00 0.00 H new ATOM 719 N PRO A 76 17.865 20.786 -20.947 1.00 0.00 N ATOM 720 CA PRO A 76 18.258 20.557 -19.528 1.00 0.00 C ATOM 721 C PRO A 76 19.066 19.275 -19.357 1.00 0.00 C ATOM 722 O PRO A 76 18.544 18.174 -19.538 1.00 0.00 O ATOM 723 CB PRO A 76 16.912 20.466 -18.793 1.00 0.00 C ATOM 724 CG PRO A 76 15.929 19.980 -19.818 1.00 0.00 C ATOM 725 CD PRO A 76 16.458 20.413 -21.194 1.00 0.00 C ATOM 0 HA PRO A 76 18.904 21.347 -19.145 1.00 0.00 H new ATOM 0 HB2 PRO A 76 16.971 19.779 -17.949 1.00 0.00 H new ATOM 0 HB3 PRO A 76 16.616 21.436 -18.394 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.826 18.896 -19.769 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.941 20.403 -19.635 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.383 19.604 -21.921 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.889 21.253 -21.592 1.00 0.00 H new ATOM 733 N LYS A 77 20.341 19.424 -19.001 1.00 0.00 N ATOM 734 CA LYS A 77 21.220 18.273 -18.801 1.00 0.00 C ATOM 735 C LYS A 77 21.683 18.220 -17.354 1.00 0.00 C ATOM 736 O LYS A 77 22.543 18.993 -16.935 1.00 0.00 O ATOM 737 CB LYS A 77 22.436 18.387 -19.720 1.00 0.00 C ATOM 738 CG LYS A 77 21.974 18.573 -21.170 1.00 0.00 C ATOM 739 CD LYS A 77 21.262 17.309 -21.666 1.00 0.00 C ATOM 740 CE LYS A 77 21.191 17.325 -23.194 1.00 0.00 C ATOM 741 NZ LYS A 77 22.526 16.976 -23.754 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.787 20.328 -18.845 1.00 0.00 H new ATOM 0 HA LYS A 77 20.670 17.362 -19.037 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.056 19.230 -19.415 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.052 17.491 -19.637 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.302 19.428 -21.238 1.00 0.00 H new ATOM 0 HG3 LYS A 77 22.831 18.790 -21.807 1.00 0.00 H new ATOM 0 HD2 LYS A 77 21.796 16.422 -21.326 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.258 17.257 -21.246 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.441 16.614 -23.542 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.883 18.310 -23.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.775 17.651 -24.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.241 17.019 -23.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.496 16.014 -24.149 1.00 0.00 H new ATOM 755 N VAL A 78 21.101 17.297 -16.591 1.00 0.00 N ATOM 756 CA VAL A 78 21.451 17.136 -15.183 1.00 0.00 C ATOM 757 C VAL A 78 21.553 15.658 -14.830 1.00 0.00 C ATOM 758 O VAL A 78 21.022 14.804 -15.541 1.00 0.00 O ATOM 759 CB VAL A 78 20.393 17.802 -14.305 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.385 19.306 -14.574 1.00 0.00 C ATOM 761 CG2 VAL A 78 19.017 17.218 -14.629 1.00 0.00 C ATOM 0 H VAL A 78 20.386 16.650 -16.924 1.00 0.00 H new ATOM 0 HA VAL A 78 22.417 17.609 -15.007 1.00 0.00 H new ATOM 0 HB VAL A 78 20.624 17.620 -13.255 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.631 19.783 -13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.365 19.722 -14.342 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.153 19.487 -15.624 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.263 17.694 -14.002 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.783 17.398 -15.678 1.00 0.00 H new ATOM 0 HG23 VAL A 78 19.023 16.145 -14.438 1.00 0.00 H new ATOM 771 N ILE A 79 22.232 15.359 -13.726 1.00 0.00 N ATOM 772 CA ILE A 79 22.394 13.975 -13.282 1.00 0.00 C ATOM 773 C ILE A 79 21.448 13.672 -12.126 1.00 0.00 C ATOM 774 O ILE A 79 21.572 14.243 -11.040 1.00 0.00 O ATOM 775 CB ILE A 79 23.839 13.741 -12.830 1.00 0.00 C ATOM 776 CG1 ILE A 79 24.800 14.327 -13.869 1.00 0.00 C ATOM 777 CG2 ILE A 79 24.100 12.243 -12.668 1.00 0.00 C ATOM 778 CD1 ILE A 79 24.487 13.759 -15.256 1.00 0.00 C ATOM 0 H ILE A 79 22.677 16.052 -13.124 1.00 0.00 H new ATOM 0 HA ILE A 79 22.159 13.314 -14.116 1.00 0.00 H new ATOM 0 HB ILE A 79 24.000 14.233 -11.870 1.00 0.00 H new ATOM 0 HG12 ILE A 79 24.713 15.413 -13.884 1.00 0.00 H new ATOM 0 HG13 ILE A 79 25.829 14.094 -13.596 1.00 0.00 H new ATOM 0 HG21 ILE A 79 25.130 12.086 -12.346 1.00 0.00 H new ATOM 0 HG22 ILE A 79 23.420 11.834 -11.921 1.00 0.00 H new ATOM 0 HG23 ILE A 79 23.937 11.740 -13.621 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.176 14.182 -15.987 1.00 0.00 H new ATOM 0 HD12 ILE A 79 24.598 12.675 -15.239 1.00 0.00 H new ATOM 0 HD13 ILE A 79 23.464 14.015 -15.532 1.00 0.00 H new ATOM 790 N CYS A 80 20.500 12.772 -12.370 1.00 0.00 N ATOM 791 CA CYS A 80 19.533 12.398 -11.345 1.00 0.00 C ATOM 792 C CYS A 80 20.250 11.934 -10.081 1.00 0.00 C ATOM 793 O CYS A 80 21.436 11.607 -10.118 1.00 0.00 O ATOM 794 CB CYS A 80 18.610 11.290 -11.868 1.00 0.00 C ATOM 795 SG CYS A 80 19.447 9.689 -11.778 1.00 0.00 S ATOM 0 H CYS A 80 20.382 12.292 -13.262 1.00 0.00 H new ATOM 0 HA CYS A 80 18.929 13.272 -11.100 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.692 11.263 -11.280 1.00 0.00 H new ATOM 0 HB3 CYS A 80 18.323 11.501 -12.898 1.00 0.00 H new ATOM 0 HG CYS A 80 18.988 8.906 -12.709 1.00 0.00 H new ATOM 800 N ARG A 81 19.525 11.915 -8.969 1.00 0.00 N ATOM 801 CA ARG A 81 20.109 11.503 -7.698 1.00 0.00 C ATOM 802 C ARG A 81 20.735 10.118 -7.822 1.00 0.00 C ATOM 803 O ARG A 81 21.836 9.879 -7.330 1.00 0.00 O ATOM 804 CB ARG A 81 19.034 11.474 -6.614 1.00 0.00 C ATOM 805 CG ARG A 81 18.511 12.891 -6.382 1.00 0.00 C ATOM 806 CD ARG A 81 17.530 12.881 -5.209 1.00 0.00 C ATOM 807 NE ARG A 81 16.374 12.050 -5.514 1.00 0.00 N ATOM 808 CZ ARG A 81 15.542 11.655 -4.555 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.752 12.016 -3.319 1.00 0.00 N ATOM 810 NH2 ARG A 81 14.517 10.905 -4.850 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.541 12.177 -8.921 1.00 0.00 H new ATOM 0 HA ARG A 81 20.883 12.222 -7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.217 10.817 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.445 11.070 -5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.340 13.567 -6.172 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.017 13.261 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.028 12.506 -4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.206 13.898 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 81 16.200 11.766 -6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.555 12.601 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.113 11.713 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.354 10.622 -5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.879 10.602 -4.115 1.00 0.00 H new ATOM 824 N THR A 82 20.023 9.206 -8.473 1.00 0.00 N ATOM 825 CA THR A 82 20.517 7.841 -8.641 1.00 0.00 C ATOM 826 C THR A 82 21.865 7.838 -9.359 1.00 0.00 C ATOM 827 O THR A 82 22.794 7.142 -8.947 1.00 0.00 O ATOM 828 CB THR A 82 19.514 7.025 -9.459 1.00 0.00 C ATOM 829 OG1 THR A 82 18.207 7.217 -8.937 1.00 0.00 O ATOM 830 CG2 THR A 82 19.878 5.542 -9.385 1.00 0.00 C ATOM 0 H THR A 82 19.109 9.382 -8.891 1.00 0.00 H new ATOM 0 HA THR A 82 20.640 7.398 -7.653 1.00 0.00 H new ATOM 0 HB THR A 82 19.543 7.354 -10.498 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.565 6.695 -9.463 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.163 4.962 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 82 20.880 5.393 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.851 5.212 -8.346 1.00 0.00 H new ATOM 838 N CYS A 83 21.966 8.619 -10.426 1.00 0.00 N ATOM 839 CA CYS A 83 23.207 8.705 -11.187 1.00 0.00 C ATOM 840 C CYS A 83 24.158 9.697 -10.535 1.00 0.00 C ATOM 841 O CYS A 83 25.345 9.734 -10.856 1.00 0.00 O ATOM 842 CB CYS A 83 22.913 9.149 -12.624 1.00 0.00 C ATOM 843 SG CYS A 83 21.958 7.870 -13.476 1.00 0.00 S ATOM 0 H CYS A 83 21.208 9.200 -10.784 1.00 0.00 H new ATOM 0 HA CYS A 83 23.673 7.720 -11.201 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.358 10.087 -12.618 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.846 9.334 -13.156 1.00 0.00 H new ATOM 0 HG CYS A 83 20.692 8.042 -13.237 1.00 0.00 H new ATOM 947 N SER A 90 34.755 17.125 -10.468 1.00 0.00 N ATOM 948 CA SER A 90 35.867 17.963 -10.898 1.00 0.00 C ATOM 949 C SER A 90 35.351 19.222 -11.579 1.00 0.00 C ATOM 950 O SER A 90 34.178 19.304 -11.947 1.00 0.00 O ATOM 951 CB SER A 90 36.754 17.186 -11.871 1.00 0.00 C ATOM 952 OG SER A 90 37.029 15.899 -11.334 1.00 0.00 O ATOM 0 HA SER A 90 36.448 18.248 -10.020 1.00 0.00 H new ATOM 0 HB2 SER A 90 36.257 17.091 -12.837 1.00 0.00 H new ATOM 0 HB3 SER A 90 37.685 17.727 -12.043 1.00 0.00 H new ATOM 0 HG SER A 90 36.355 15.676 -10.658 1.00 0.00 H new ATOM 958 N ILE A 91 36.231 20.209 -11.733 1.00 0.00 N ATOM 959 CA ILE A 91 35.859 21.478 -12.363 1.00 0.00 C ATOM 960 C ILE A 91 36.812 21.806 -13.502 1.00 0.00 C ATOM 961 O ILE A 91 38.026 21.648 -13.374 1.00 0.00 O ATOM 962 CB ILE A 91 35.888 22.603 -11.324 1.00 0.00 C ATOM 963 CG1 ILE A 91 34.885 22.284 -10.212 1.00 0.00 C ATOM 964 CG2 ILE A 91 35.495 23.930 -11.987 1.00 0.00 C ATOM 965 CD1 ILE A 91 35.112 23.241 -9.043 1.00 0.00 C ATOM 0 H ILE A 91 37.204 20.157 -11.432 1.00 0.00 H new ATOM 0 HA ILE A 91 34.851 21.384 -12.766 1.00 0.00 H new ATOM 0 HB ILE A 91 36.892 22.687 -10.909 1.00 0.00 H new ATOM 0 HG12 ILE A 91 33.866 22.382 -10.586 1.00 0.00 H new ATOM 0 HG13 ILE A 91 35.005 21.252 -9.882 1.00 0.00 H new ATOM 0 HG21 ILE A 91 35.517 24.728 -11.245 1.00 0.00 H new ATOM 0 HG22 ILE A 91 36.199 24.159 -12.787 1.00 0.00 H new ATOM 0 HG23 ILE A 91 34.490 23.846 -12.401 1.00 0.00 H new ATOM 0 HD11 ILE A 91 34.401 23.019 -8.248 1.00 0.00 H new ATOM 0 HD12 ILE A 91 36.127 23.120 -8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 91 34.970 24.268 -9.380 1.00 0.00 H new ATOM 977 N TRP A 92 36.255 22.261 -14.618 1.00 0.00 N ATOM 978 CA TRP A 92 37.066 22.604 -15.778 1.00 0.00 C ATOM 979 C TRP A 92 37.722 23.973 -15.589 1.00 0.00 C ATOM 980 O TRP A 92 37.047 24.967 -15.324 1.00 0.00 O ATOM 981 CB TRP A 92 36.188 22.618 -17.042 1.00 0.00 C ATOM 982 CG TRP A 92 36.908 23.326 -18.152 1.00 0.00 C ATOM 983 CD1 TRP A 92 38.190 23.095 -18.510 1.00 0.00 C ATOM 984 CD2 TRP A 92 36.418 24.374 -19.034 1.00 0.00 C ATOM 985 NE1 TRP A 92 38.523 23.942 -19.552 1.00 0.00 N ATOM 986 CE2 TRP A 92 37.461 24.746 -19.916 1.00 0.00 C ATOM 987 CE3 TRP A 92 35.181 25.034 -19.154 1.00 0.00 C ATOM 988 CZ2 TRP A 92 37.282 25.734 -20.884 1.00 0.00 C ATOM 989 CZ3 TRP A 92 34.999 26.029 -20.127 1.00 0.00 C ATOM 990 CH2 TRP A 92 36.047 26.379 -20.990 1.00 0.00 C ATOM 0 H TRP A 92 35.252 22.400 -14.743 1.00 0.00 H new ATOM 0 HA TRP A 92 37.849 21.854 -15.889 1.00 0.00 H new ATOM 0 HB2 TRP A 92 35.951 21.597 -17.343 1.00 0.00 H new ATOM 0 HB3 TRP A 92 35.242 23.117 -16.833 1.00 0.00 H new ATOM 0 HD1 TRP A 92 38.848 22.368 -18.057 1.00 0.00 H new ATOM 0 HE1 TRP A 92 39.440 23.969 -19.997 1.00 0.00 H new ATOM 0 HE3 TRP A 92 34.367 24.773 -18.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 38.092 25.999 -21.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 34.045 26.528 -20.211 1.00 0.00 H new ATOM 0 HH2 TRP A 92 35.900 27.146 -21.736 1.00 0.00 H new ATOM 1001 N CYS A 93 39.042 24.009 -15.755 1.00 0.00 N ATOM 1002 CA CYS A 93 39.798 25.255 -15.633 1.00 0.00 C ATOM 1003 C CYS A 93 40.241 25.736 -17.007 1.00 0.00 C ATOM 1004 O CYS A 93 40.738 24.957 -17.821 1.00 0.00 O ATOM 1005 CB CYS A 93 41.031 25.043 -14.757 1.00 0.00 C ATOM 1006 SG CYS A 93 42.156 26.447 -14.951 1.00 0.00 S ATOM 0 H CYS A 93 39.611 23.191 -15.974 1.00 0.00 H new ATOM 0 HA CYS A 93 39.152 26.004 -15.175 1.00 0.00 H new ATOM 0 HB2 CYS A 93 40.735 24.941 -13.713 1.00 0.00 H new ATOM 0 HB3 CYS A 93 41.535 24.118 -15.037 1.00 0.00 H new ATOM 0 HG CYS A 93 43.382 26.046 -14.790 1.00 0.00 H new ATOM 1011 N THR A 94 40.071 27.030 -17.259 1.00 0.00 N ATOM 1012 CA THR A 94 40.471 27.609 -18.536 1.00 0.00 C ATOM 1013 C THR A 94 41.927 28.064 -18.478 1.00 0.00 C ATOM 1014 O THR A 94 42.600 28.152 -19.504 1.00 0.00 O ATOM 1015 CB THR A 94 39.577 28.803 -18.872 1.00 0.00 C ATOM 1016 OG1 THR A 94 39.954 29.915 -18.072 1.00 0.00 O ATOM 1017 CG2 THR A 94 38.118 28.444 -18.590 1.00 0.00 C ATOM 0 H THR A 94 39.662 27.693 -16.601 1.00 0.00 H new ATOM 0 HA THR A 94 40.365 26.849 -19.310 1.00 0.00 H new ATOM 0 HB THR A 94 39.691 29.057 -19.926 1.00 0.00 H new ATOM 0 HG1 THR A 94 39.383 30.682 -18.288 1.00 0.00 H new ATOM 0 HG21 THR A 94 37.481 29.295 -18.830 1.00 0.00 H new ATOM 0 HG22 THR A 94 37.828 27.590 -19.203 1.00 0.00 H new ATOM 0 HG23 THR A 94 38.003 28.190 -17.536 1.00 0.00 H new ATOM 1025 N ALA A 95 42.410 28.356 -17.268 1.00 0.00 N ATOM 1026 CA ALA A 95 43.786 28.802 -17.093 1.00 0.00 C ATOM 1027 C ALA A 95 44.762 27.661 -17.357 1.00 0.00 C ATOM 1028 O ALA A 95 45.852 27.876 -17.888 1.00 0.00 O ATOM 1029 CB ALA A 95 43.995 29.346 -15.678 1.00 0.00 C ATOM 0 H ALA A 95 41.871 28.291 -16.405 1.00 0.00 H new ATOM 0 HA ALA A 95 43.977 29.598 -17.812 1.00 0.00 H new ATOM 0 HB1 ALA A 95 45.028 29.675 -15.564 1.00 0.00 H new ATOM 0 HB2 ALA A 95 43.325 30.189 -15.510 1.00 0.00 H new ATOM 0 HB3 ALA A 95 43.781 28.562 -14.952 1.00 0.00 H new ATOM 1035 N CYS A 96 44.368 26.441 -16.979 1.00 0.00 N ATOM 1036 CA CYS A 96 45.212 25.264 -17.175 1.00 0.00 C ATOM 1037 C CYS A 96 44.751 24.473 -18.394 1.00 0.00 C ATOM 1038 O CYS A 96 45.493 23.645 -18.918 1.00 0.00 O ATOM 1039 CB CYS A 96 45.142 24.360 -15.942 1.00 0.00 C ATOM 1040 SG CYS A 96 45.706 25.263 -14.484 1.00 0.00 S ATOM 0 H CYS A 96 43.470 26.245 -16.536 1.00 0.00 H new ATOM 0 HA CYS A 96 46.237 25.601 -17.330 1.00 0.00 H new ATOM 0 HB2 CYS A 96 44.120 24.013 -15.792 1.00 0.00 H new ATOM 0 HB3 CYS A 96 45.760 23.475 -16.094 1.00 0.00 H new ATOM 0 HG CYS A 96 45.234 26.474 -14.514 1.00 0.00 H new ATOM 1045 N GLN A 97 43.516 24.726 -18.823 1.00 0.00 N ATOM 1046 CA GLN A 97 42.957 24.024 -19.978 1.00 0.00 C ATOM 1047 C GLN A 97 42.972 22.521 -19.735 1.00 0.00 C ATOM 1048 O GLN A 97 43.127 21.732 -20.668 1.00 0.00 O ATOM 1049 CB GLN A 97 43.773 24.340 -21.236 1.00 0.00 C ATOM 1050 CG GLN A 97 43.624 25.820 -21.583 1.00 0.00 C ATOM 1051 CD GLN A 97 44.545 26.176 -22.745 1.00 0.00 C ATOM 1052 OE1 GLN A 97 45.651 25.645 -22.847 1.00 0.00 O ATOM 1053 NE2 GLN A 97 44.154 27.049 -23.631 1.00 0.00 N ATOM 0 H GLN A 97 42.888 25.405 -18.393 1.00 0.00 H new ATOM 0 HA GLN A 97 41.929 24.359 -20.121 1.00 0.00 H new ATOM 0 HB2 GLN A 97 44.823 24.098 -21.071 1.00 0.00 H new ATOM 0 HB3 GLN A 97 43.431 23.724 -22.068 1.00 0.00 H new ATOM 0 HG2 GLN A 97 42.589 26.038 -21.848 1.00 0.00 H new ATOM 0 HG3 GLN A 97 43.867 26.432 -20.714 1.00 0.00 H new ATOM 0 HE21 GLN A 97 43.237 27.488 -23.545 1.00 0.00 H new ATOM 0 HE22 GLN A 97 44.765 27.293 -24.411 1.00 0.00 H new ATOM 1062 N GLN A 98 42.804 22.129 -18.475 1.00 0.00 N ATOM 1063 CA GLN A 98 42.797 20.711 -18.108 1.00 0.00 C ATOM 1064 C GLN A 98 41.799 20.452 -16.982 1.00 0.00 C ATOM 1065 O GLN A 98 41.351 21.379 -16.307 1.00 0.00 O ATOM 1066 CB GLN A 98 44.201 20.275 -17.667 1.00 0.00 C ATOM 1067 CG GLN A 98 45.111 20.130 -18.891 1.00 0.00 C ATOM 1068 CD GLN A 98 44.676 18.930 -19.724 1.00 0.00 C ATOM 1069 OE1 GLN A 98 44.553 19.030 -20.945 1.00 0.00 O ATOM 1070 NE2 GLN A 98 44.431 17.793 -19.132 1.00 0.00 N ATOM 0 H GLN A 98 42.671 22.769 -17.692 1.00 0.00 H new ATOM 0 HA GLN A 98 42.497 20.131 -18.981 1.00 0.00 H new ATOM 0 HB2 GLN A 98 44.619 21.008 -16.977 1.00 0.00 H new ATOM 0 HB3 GLN A 98 44.145 19.328 -17.130 1.00 0.00 H new ATOM 0 HG2 GLN A 98 45.070 21.037 -19.495 1.00 0.00 H new ATOM 0 HG3 GLN A 98 46.146 20.006 -18.572 1.00 0.00 H new ATOM 0 HE21 GLN A 98 44.534 17.712 -18.120 1.00 0.00 H new ATOM 0 HE22 GLN A 98 44.137 16.985 -19.681 1.00 0.00 H new ATOM 1079 N THR A 99 41.456 19.183 -16.790 1.00 0.00 N ATOM 1080 CA THR A 99 40.511 18.805 -15.745 1.00 0.00 C ATOM 1081 C THR A 99 41.162 18.928 -14.377 1.00 0.00 C ATOM 1082 O THR A 99 42.291 18.481 -14.174 1.00 0.00 O ATOM 1083 CB THR A 99 40.043 17.366 -15.954 1.00 0.00 C ATOM 1084 OG1 THR A 99 39.683 17.178 -17.315 1.00 0.00 O ATOM 1085 CG2 THR A 99 38.832 17.093 -15.063 1.00 0.00 C ATOM 0 H THR A 99 41.815 18.403 -17.340 1.00 0.00 H new ATOM 0 HA THR A 99 39.653 19.476 -15.797 1.00 0.00 H new ATOM 0 HB THR A 99 40.848 16.679 -15.694 1.00 0.00 H new ATOM 0 HG1 THR A 99 39.384 16.254 -17.450 1.00 0.00 H new ATOM 0 HG21 THR A 99 38.496 16.067 -15.210 1.00 0.00 H new ATOM 0 HG22 THR A 99 39.109 17.238 -14.019 1.00 0.00 H new ATOM 0 HG23 THR A 99 38.026 17.779 -15.324 1.00 0.00 H new ATOM 1093 N LYS A 100 40.446 19.539 -13.435 1.00 0.00 N ATOM 1094 CA LYS A 100 40.967 19.720 -12.079 1.00 0.00 C ATOM 1095 C LYS A 100 39.955 19.231 -11.046 1.00 0.00 C ATOM 1096 O LYS A 100 38.772 19.563 -11.118 1.00 0.00 O ATOM 1097 CB LYS A 100 41.259 21.206 -11.836 1.00 0.00 C ATOM 1098 CG LYS A 100 42.288 21.367 -10.700 1.00 0.00 C ATOM 1099 CD LYS A 100 43.708 21.311 -11.276 1.00 0.00 C ATOM 1100 CE LYS A 100 44.723 21.545 -10.159 1.00 0.00 C ATOM 1101 NZ LYS A 100 46.099 21.490 -10.725 1.00 0.00 N1+ ATOM 0 H LYS A 100 39.510 19.915 -13.583 1.00 0.00 H new ATOM 0 HA LYS A 100 41.884 19.139 -11.978 1.00 0.00 H new ATOM 0 HB2 LYS A 100 41.640 21.663 -12.749 1.00 0.00 H new ATOM 0 HB3 LYS A 100 40.337 21.728 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 100 42.131 22.315 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 100 42.154 20.578 -9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 100 43.884 20.342 -11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 100 43.826 22.066 -12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 100 44.549 22.514 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 100 44.607 20.790 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 46.793 21.649 -9.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 46.261 20.556 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 46.205 22.227 -11.451 1.00 0.00 H new ATOM 1115 N GLY A 101 40.432 18.455 -10.082 1.00 0.00 N ATOM 1116 CA GLY A 101 39.559 17.934 -9.040 1.00 0.00 C ATOM 1117 C GLY A 101 38.885 19.063 -8.274 1.00 0.00 C ATOM 1118 O GLY A 101 39.339 20.206 -8.294 1.00 0.00 O ATOM 0 H GLY A 101 41.409 18.175 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 101 38.801 17.289 -9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 101 40.137 17.318 -8.351 1.00 0.00 H new ATOM 1122 N ILE A 102 37.796 18.724 -7.600 1.00 0.00 N ATOM 1123 CA ILE A 102 37.050 19.704 -6.818 1.00 0.00 C ATOM 1124 C ILE A 102 37.809 20.081 -5.549 1.00 0.00 C ATOM 1125 O ILE A 102 37.750 21.224 -5.096 1.00 0.00 O ATOM 1126 CB ILE A 102 35.669 19.158 -6.454 1.00 0.00 C ATOM 1127 CG1 ILE A 102 34.823 20.277 -5.833 1.00 0.00 C ATOM 1128 CG2 ILE A 102 35.817 18.013 -5.452 1.00 0.00 C ATOM 1129 CD1 ILE A 102 33.356 19.848 -5.807 1.00 0.00 C ATOM 0 H ILE A 102 37.408 17.781 -7.577 1.00 0.00 H new ATOM 0 HA ILE A 102 36.929 20.599 -7.429 1.00 0.00 H new ATOM 0 HB ILE A 102 35.178 18.788 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 102 35.169 20.491 -4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 102 34.935 21.195 -6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 102 34.831 17.626 -5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 102 36.415 17.217 -5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 102 36.310 18.379 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 102 32.753 20.642 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 102 33.015 19.656 -6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 102 33.253 18.941 -5.212 1.00 0.00 H new ATOM 1141 N ASN A 103 38.501 19.106 -4.970 1.00 0.00 N ATOM 1142 CA ASN A 103 39.245 19.338 -3.739 1.00 0.00 C ATOM 1143 C ASN A 103 40.250 20.469 -3.932 1.00 0.00 C ATOM 1144 O ASN A 103 40.422 21.315 -3.054 1.00 0.00 O ATOM 1145 CB ASN A 103 39.984 18.060 -3.334 1.00 0.00 C ATOM 1146 CG ASN A 103 38.999 16.901 -3.205 1.00 0.00 C ATOM 1147 OD1 ASN A 103 39.066 15.941 -3.972 1.00 0.00 O ATOM 1148 ND2 ASN A 103 38.087 16.933 -2.273 1.00 0.00 N ATOM 0 H ASN A 103 38.562 18.154 -5.331 1.00 0.00 H new ATOM 0 HA ASN A 103 38.544 19.619 -2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 103 40.744 17.820 -4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 103 40.501 18.215 -2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 103 37.427 16.161 -2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 103 38.034 17.730 -1.639 1.00 0.00 H new ATOM 1155 N GLU A 104 40.901 20.486 -5.089 1.00 0.00 N ATOM 1156 CA GLU A 104 41.878 21.528 -5.398 1.00 0.00 C ATOM 1157 C GLU A 104 41.182 22.760 -5.953 1.00 0.00 C ATOM 1158 O GLU A 104 41.753 23.501 -6.754 1.00 0.00 O ATOM 1159 CB GLU A 104 42.890 21.004 -6.417 1.00 0.00 C ATOM 1160 CG GLU A 104 43.745 19.914 -5.768 1.00 0.00 C ATOM 1161 CD GLU A 104 44.673 19.293 -6.806 1.00 0.00 C ATOM 1162 OE1 GLU A 104 44.212 19.036 -7.904 1.00 0.00 O ATOM 1163 OE2 GLU A 104 45.832 19.083 -6.487 1.00 0.00 O1- ATOM 0 H GLU A 104 40.772 19.794 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 104 42.398 21.802 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 104 42.372 20.604 -7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 104 43.524 21.818 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 104 44.330 20.337 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 104 43.103 19.146 -5.336 1.00 0.00 H new ATOM 1170 N PHE A 105 39.940 22.977 -5.524 1.00 0.00 N ATOM 1171 CA PHE A 105 39.161 24.126 -5.985 1.00 0.00 C ATOM 1172 C PHE A 105 38.395 24.759 -4.825 1.00 0.00 C ATOM 1173 O PHE A 105 38.136 24.117 -3.807 1.00 0.00 O ATOM 1174 CB PHE A 105 38.177 23.677 -7.093 1.00 0.00 C ATOM 1175 CG PHE A 105 38.531 24.340 -8.403 1.00 0.00 C ATOM 1176 CD1 PHE A 105 39.451 23.743 -9.267 1.00 0.00 C ATOM 1177 CD2 PHE A 105 37.943 25.556 -8.738 1.00 0.00 C ATOM 1178 CE1 PHE A 105 39.780 24.369 -10.470 1.00 0.00 C ATOM 1179 CE2 PHE A 105 38.270 26.186 -9.943 1.00 0.00 C ATOM 1180 CZ PHE A 105 39.189 25.591 -10.811 1.00 0.00 C ATOM 0 H PHE A 105 39.452 22.375 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 105 39.844 24.873 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 105 38.212 22.593 -7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 105 37.157 23.935 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 105 39.907 22.800 -9.005 1.00 0.00 H new ATOM 0 HD2 PHE A 105 37.233 26.014 -8.066 1.00 0.00 H new ATOM 0 HE1 PHE A 105 40.492 23.910 -11.139 1.00 0.00 H new ATOM 0 HE2 PHE A 105 37.813 27.130 -10.202 1.00 0.00 H new ATOM 0 HZ PHE A 105 39.443 26.073 -11.743 1.00 0.00 H new ATOM 1190 N SER A 106 38.031 26.027 -4.999 1.00 0.00 N ATOM 1191 CA SER A 106 37.287 26.755 -3.977 1.00 0.00 C ATOM 1192 C SER A 106 35.785 26.640 -4.230 1.00 0.00 C ATOM 1193 O SER A 106 35.355 26.190 -5.293 1.00 0.00 O ATOM 1194 CB SER A 106 37.698 28.226 -3.976 1.00 0.00 C ATOM 1195 OG SER A 106 37.098 28.874 -2.864 1.00 0.00 O ATOM 0 H SER A 106 38.239 26.570 -5.837 1.00 0.00 H new ATOM 0 HA SER A 106 37.516 26.318 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 106 38.783 28.313 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 106 37.385 28.705 -4.904 1.00 0.00 H new ATOM 0 HG SER A 106 37.359 29.819 -2.856 1.00 0.00 H new ATOM 1201 N LYS A 107 34.999 27.060 -3.249 1.00 0.00 N ATOM 1202 CA LYS A 107 33.545 27.017 -3.369 1.00 0.00 C ATOM 1203 C LYS A 107 33.031 28.151 -4.251 1.00 0.00 C ATOM 1204 O LYS A 107 32.133 27.955 -5.071 1.00 0.00 O ATOM 1205 CB LYS A 107 32.902 27.109 -1.989 1.00 0.00 C ATOM 1206 CG LYS A 107 33.203 25.828 -1.207 1.00 0.00 C ATOM 1207 CD LYS A 107 32.437 25.850 0.120 1.00 0.00 C ATOM 1208 CE LYS A 107 32.880 27.047 0.967 1.00 0.00 C ATOM 1209 NZ LYS A 107 34.344 27.265 0.802 1.00 0.00 N1+ ATOM 0 H LYS A 107 35.340 27.434 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 107 33.274 26.069 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 107 33.287 27.976 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 107 31.825 27.246 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 107 32.914 24.955 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 107 34.274 25.746 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 107 31.365 25.907 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 107 32.614 24.923 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 107 32.333 27.940 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 107 32.645 26.869 2.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 34.700 27.841 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 34.833 26.347 0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 34.522 27.759 -0.096 1.00 0.00 H new ATOM 1223 N ALA A 108 33.597 29.340 -4.066 1.00 0.00 N ATOM 1224 CA ALA A 108 33.181 30.507 -4.836 1.00 0.00 C ATOM 1225 C ALA A 108 33.429 30.291 -6.325 1.00 0.00 C ATOM 1226 O ALA A 108 32.674 30.777 -7.166 1.00 0.00 O ATOM 1227 CB ALA A 108 33.946 31.745 -4.365 1.00 0.00 C ATOM 0 H ALA A 108 34.342 29.520 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 108 32.113 30.656 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 108 33.629 32.611 -4.946 1.00 0.00 H new ATOM 0 HB2 ALA A 108 33.740 31.920 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 108 35.015 31.587 -4.504 1.00 0.00 H new ATOM 1233 N GLN A 109 34.492 29.567 -6.643 1.00 0.00 N ATOM 1234 CA GLN A 109 34.833 29.300 -8.036 1.00 0.00 C ATOM 1235 C GLN A 109 33.641 28.675 -8.765 1.00 0.00 C ATOM 1236 O GLN A 109 33.451 28.877 -9.962 1.00 0.00 O ATOM 1237 CB GLN A 109 36.041 28.353 -8.091 1.00 0.00 C ATOM 1238 CG GLN A 109 37.342 29.151 -8.227 1.00 0.00 C ATOM 1239 CD GLN A 109 37.478 30.128 -7.064 1.00 0.00 C ATOM 1240 OE1 GLN A 109 36.532 30.847 -6.743 1.00 0.00 O ATOM 1241 NE2 GLN A 109 38.604 30.193 -6.410 1.00 0.00 N ATOM 0 H GLN A 109 35.130 29.156 -5.962 1.00 0.00 H new ATOM 0 HA GLN A 109 35.085 30.239 -8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 109 36.074 27.743 -7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 109 35.937 27.669 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 109 38.195 28.472 -8.244 1.00 0.00 H new ATOM 0 HG3 GLN A 109 37.348 29.694 -9.172 1.00 0.00 H new ATOM 0 HE21 GLN A 109 39.385 29.595 -6.679 1.00 0.00 H new ATOM 0 HE22 GLN A 109 38.703 30.841 -5.629 1.00 0.00 H new ATOM 1250 N ARG A 110 32.847 27.910 -8.038 1.00 0.00 N ATOM 1251 CA ARG A 110 31.684 27.264 -8.630 1.00 0.00 C ATOM 1252 C ARG A 110 30.550 28.271 -8.793 1.00 0.00 C ATOM 1253 O ARG A 110 29.518 27.966 -9.392 1.00 0.00 O ATOM 1254 CB ARG A 110 31.221 26.105 -7.748 1.00 0.00 C ATOM 1255 CG ARG A 110 32.308 25.030 -7.712 1.00 0.00 C ATOM 1256 CD ARG A 110 31.874 23.903 -6.775 1.00 0.00 C ATOM 1257 NE ARG A 110 30.672 23.256 -7.294 1.00 0.00 N ATOM 1258 CZ ARG A 110 30.747 22.286 -8.201 1.00 0.00 C ATOM 1259 NH1 ARG A 110 31.910 21.900 -8.647 1.00 0.00 N ATOM 1260 NH2 ARG A 110 29.656 21.723 -8.646 1.00 0.00 N1+ ATOM 0 H ARG A 110 32.982 27.720 -7.045 1.00 0.00 H new ATOM 0 HA ARG A 110 31.961 26.878 -9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 110 31.013 26.462 -6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 110 30.292 25.686 -8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 110 32.481 24.638 -8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 110 33.250 25.460 -7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 110 32.676 23.172 -6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 110 31.681 24.301 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 110 29.757 23.554 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 110 32.761 22.342 -8.300 1.00 0.00 H new ATOM 0 HH12 ARG A 110 31.968 21.156 -9.343 1.00 0.00 H new ATOM 0 HH21 ARG A 110 28.747 22.027 -8.298 1.00 0.00 H new ATOM 0 HH22 ARG A 110 29.713 20.979 -9.342 1.00 0.00 H new ATOM 1274 N HIS A 111 30.749 29.472 -8.253 1.00 0.00 N ATOM 1275 CA HIS A 111 29.738 30.525 -8.339 1.00 0.00 C ATOM 1276 C HIS A 111 29.979 31.417 -9.558 1.00 0.00 C ATOM 1277 O HIS A 111 29.031 31.847 -10.216 1.00 0.00 O ATOM 1278 CB HIS A 111 29.768 31.384 -7.071 1.00 0.00 C ATOM 1279 CG HIS A 111 28.539 32.249 -7.023 1.00 0.00 C ATOM 1280 ND1 HIS A 111 28.457 33.456 -7.701 1.00 0.00 N ATOM 1281 CD2 HIS A 111 27.333 32.097 -6.383 1.00 0.00 C ATOM 1282 CE1 HIS A 111 27.240 33.977 -7.457 1.00 0.00 C ATOM 1283 NE2 HIS A 111 26.514 33.188 -6.660 1.00 0.00 N ATOM 0 H HIS A 111 31.597 29.740 -7.753 1.00 0.00 H new ATOM 0 HA HIS A 111 28.763 30.049 -8.440 1.00 0.00 H new ATOM 0 HB2 HIS A 111 29.812 30.747 -6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 111 30.664 32.005 -7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 111 27.061 31.258 -5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 111 26.893 34.918 -7.857 1.00 0.00 H new ATOM 0 HE2 HIS A 111 25.564 33.350 -6.326 1.00 0.00 H new ATOM 1291 N VAL A 112 31.248 31.695 -9.850 1.00 0.00 N ATOM 1292 CA VAL A 112 31.591 32.539 -10.982 1.00 0.00 C ATOM 1293 C VAL A 112 31.402 31.779 -12.284 1.00 0.00 C ATOM 1294 O VAL A 112 31.420 30.548 -12.307 1.00 0.00 O ATOM 1295 CB VAL A 112 33.043 33.013 -10.861 1.00 0.00 C ATOM 1296 CG1 VAL A 112 33.234 33.718 -9.518 1.00 0.00 C ATOM 1297 CG2 VAL A 112 33.986 31.812 -10.926 1.00 0.00 C ATOM 0 H VAL A 112 32.048 31.349 -9.320 1.00 0.00 H new ATOM 0 HA VAL A 112 30.931 33.406 -10.983 1.00 0.00 H new ATOM 0 HB VAL A 112 33.265 33.698 -11.679 1.00 0.00 H new ATOM 0 HG11 VAL A 112 34.266 34.057 -9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 112 32.564 34.576 -9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 112 33.008 33.025 -8.708 1.00 0.00 H new ATOM 0 HG21 VAL A 112 35.017 32.154 -10.840 1.00 0.00 H new ATOM 0 HG22 VAL A 112 33.761 31.128 -10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 112 33.853 31.296 -11.877 1.00 0.00 H new ATOM 1307 N LEU A 113 31.222 32.520 -13.364 1.00 0.00 N ATOM 1308 CA LEU A 113 31.033 31.909 -14.668 1.00 0.00 C ATOM 1309 C LEU A 113 32.272 31.139 -15.085 1.00 0.00 C ATOM 1310 O LEU A 113 32.171 30.100 -15.739 1.00 0.00 O ATOM 1311 CB LEU A 113 30.725 32.978 -15.722 1.00 0.00 C ATOM 1312 CG LEU A 113 30.572 32.327 -17.111 1.00 0.00 C ATOM 1313 CD1 LEU A 113 29.475 31.249 -17.075 1.00 0.00 C ATOM 1314 CD2 LEU A 113 30.202 33.406 -18.134 1.00 0.00 C ATOM 0 H LEU A 113 31.203 33.540 -13.364 1.00 0.00 H new ATOM 0 HA LEU A 113 30.192 31.220 -14.595 1.00 0.00 H new ATOM 0 HB2 LEU A 113 29.809 33.507 -15.457 1.00 0.00 H new ATOM 0 HB3 LEU A 113 31.525 33.718 -15.745 1.00 0.00 H new ATOM 0 HG LEU A 113 31.514 31.858 -17.394 1.00 0.00 H new ATOM 0 HD11 LEU A 113 29.377 30.797 -18.062 1.00 0.00 H new ATOM 0 HD12 LEU A 113 29.743 30.481 -16.349 1.00 0.00 H new ATOM 0 HD13 LEU A 113 28.527 31.704 -16.788 1.00 0.00 H new ATOM 0 HD21 LEU A 113 30.092 32.952 -19.119 1.00 0.00 H new ATOM 0 HD22 LEU A 113 29.262 33.875 -17.844 1.00 0.00 H new ATOM 0 HD23 LEU A 113 30.988 34.160 -18.168 1.00 0.00 H new ATOM 1326 N ASP A 114 33.448 31.666 -14.738 1.00 0.00 N ATOM 1327 CA ASP A 114 34.709 31.025 -15.116 1.00 0.00 C ATOM 1328 C ASP A 114 35.481 30.555 -13.877 1.00 0.00 C ATOM 1329 O ASP A 114 36.123 31.364 -13.204 1.00 0.00 O ATOM 1330 CB ASP A 114 35.568 32.012 -15.905 1.00 0.00 C ATOM 1331 CG ASP A 114 34.767 32.546 -17.085 1.00 0.00 C ATOM 1332 OD1 ASP A 114 34.766 31.895 -18.117 1.00 0.00 O ATOM 1333 OD2 ASP A 114 34.157 33.592 -16.939 1.00 0.00 O1- ATOM 0 H ASP A 114 33.554 32.527 -14.201 1.00 0.00 H new ATOM 0 HA ASP A 114 34.480 30.155 -15.731 1.00 0.00 H new ATOM 0 HB2 ASP A 114 35.881 32.834 -15.262 1.00 0.00 H new ATOM 0 HB3 ASP A 114 36.475 31.521 -16.259 1.00 0.00 H new ATOM 1338 N PRO A 115 35.434 29.280 -13.562 1.00 0.00 N ATOM 1339 CA PRO A 115 36.147 28.728 -12.378 1.00 0.00 C ATOM 1340 C PRO A 115 37.637 28.535 -12.652 1.00 0.00 C ATOM 1341 O PRO A 115 38.022 28.027 -13.705 1.00 0.00 O ATOM 1342 CB PRO A 115 35.449 27.383 -12.132 1.00 0.00 C ATOM 1343 CG PRO A 115 34.924 26.955 -13.470 1.00 0.00 C ATOM 1344 CD PRO A 115 34.706 28.228 -14.297 1.00 0.00 C ATOM 0 HA PRO A 115 36.103 29.395 -11.517 1.00 0.00 H new ATOM 0 HB2 PRO A 115 36.145 26.647 -11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 115 34.641 27.487 -11.408 1.00 0.00 H new ATOM 0 HG2 PRO A 115 35.631 26.290 -13.966 1.00 0.00 H new ATOM 0 HG3 PRO A 115 33.991 26.403 -13.359 1.00 0.00 H new ATOM 0 HD2 PRO A 115 35.092 28.113 -15.310 1.00 0.00 H new ATOM 0 HD3 PRO A 115 33.646 28.467 -14.385 1.00 0.00 H new ATOM 1352 N ARG A 116 38.471 28.953 -11.701 1.00 0.00 N ATOM 1353 CA ARG A 116 39.921 28.829 -11.854 1.00 0.00 C ATOM 1354 C ARG A 116 40.535 28.162 -10.627 1.00 0.00 C ATOM 1355 O ARG A 116 40.136 28.434 -9.497 1.00 0.00 O ATOM 1356 CB ARG A 116 40.532 30.219 -12.035 1.00 0.00 C ATOM 1357 CG ARG A 116 39.750 30.989 -13.099 1.00 0.00 C ATOM 1358 CD ARG A 116 40.383 32.366 -13.297 1.00 0.00 C ATOM 1359 NE ARG A 116 39.626 33.129 -14.284 1.00 0.00 N ATOM 1360 CZ ARG A 116 39.883 33.021 -15.585 1.00 0.00 C ATOM 1361 NH1 ARG A 116 40.825 32.219 -16.002 1.00 0.00 N ATOM 1362 NH2 ARG A 116 39.190 33.715 -16.446 1.00 0.00 N1+ ATOM 0 H ARG A 116 38.172 29.377 -10.823 1.00 0.00 H new ATOM 0 HA ARG A 116 40.130 28.213 -12.729 1.00 0.00 H new ATOM 0 HB2 ARG A 116 40.511 30.762 -11.090 1.00 0.00 H new ATOM 0 HB3 ARG A 116 41.578 30.132 -12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 116 39.753 30.437 -14.039 1.00 0.00 H new ATOM 0 HG3 ARG A 116 38.709 31.096 -12.795 1.00 0.00 H new ATOM 0 HD2 ARG A 116 40.406 32.904 -12.349 1.00 0.00 H new ATOM 0 HD3 ARG A 116 41.416 32.256 -13.626 1.00 0.00 H new ATOM 0 HE ARG A 116 38.886 33.757 -13.971 1.00 0.00 H new ATOM 0 HH11 ARG A 116 41.365 31.674 -15.330 1.00 0.00 H new ATOM 0 HH12 ARG A 116 41.021 32.137 -17.000 1.00 0.00 H new ATOM 0 HH21 ARG A 116 38.452 34.340 -16.121 1.00 0.00 H new ATOM 0 HH22 ARG A 116 39.386 33.633 -17.444 1.00 0.00 H new ATOM 1376 N CYS A 117 41.511 27.290 -10.861 1.00 0.00 N ATOM 1377 CA CYS A 117 42.175 26.590 -9.763 1.00 0.00 C ATOM 1378 C CYS A 117 42.704 27.580 -8.728 1.00 0.00 C ATOM 1379 O CYS A 117 43.074 28.705 -9.065 1.00 0.00 O ATOM 1380 CB CYS A 117 43.346 25.756 -10.292 1.00 0.00 C ATOM 1381 SG CYS A 117 42.874 24.921 -11.822 1.00 0.00 S ATOM 0 H CYS A 117 41.858 27.052 -11.790 1.00 0.00 H new ATOM 0 HA CYS A 117 41.439 25.937 -9.294 1.00 0.00 H new ATOM 0 HB2 CYS A 117 44.208 26.398 -10.471 1.00 0.00 H new ATOM 0 HB3 CYS A 117 43.645 25.021 -9.545 1.00 0.00 H new ATOM 0 HG CYS A 117 42.772 25.794 -12.779 1.00 0.00 H new ATOM 1386 N GLN A 118 42.736 27.154 -7.468 1.00 0.00 N ATOM 1387 CA GLN A 118 43.223 28.019 -6.399 1.00 0.00 C ATOM 1388 C GLN A 118 44.638 28.500 -6.708 1.00 0.00 C ATOM 1389 O GLN A 118 45.104 29.497 -6.155 1.00 0.00 O ATOM 1390 CB GLN A 118 43.216 27.261 -5.071 1.00 0.00 C ATOM 1391 CG GLN A 118 41.772 26.981 -4.659 1.00 0.00 C ATOM 1392 CD GLN A 118 41.745 26.168 -3.371 1.00 0.00 C ATOM 1393 OE1 GLN A 118 42.483 25.191 -3.237 1.00 0.00 O ATOM 1394 NE2 GLN A 118 40.937 26.516 -2.411 1.00 0.00 N ATOM 0 H GLN A 118 42.435 26.228 -7.165 1.00 0.00 H new ATOM 0 HA GLN A 118 42.564 28.884 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 118 43.766 26.325 -5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 118 43.719 27.847 -4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 118 41.237 27.920 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 118 41.258 26.438 -5.452 1.00 0.00 H new ATOM 0 HE21 GLN A 118 40.327 27.326 -2.526 1.00 0.00 H new ATOM 0 HE22 GLN A 118 40.914 25.979 -1.544 1.00 0.00 H new ATOM 1403 N ILE A 119 45.323 27.780 -7.594 1.00 0.00 N ATOM 1404 CA ILE A 119 46.686 28.143 -7.978 1.00 0.00 C ATOM 1405 C ILE A 119 46.668 29.107 -9.159 1.00 0.00 C ATOM 1406 O ILE A 119 47.642 29.822 -9.407 1.00 0.00 O ATOM 1407 CB ILE A 119 47.473 26.888 -8.354 1.00 0.00 C ATOM 1408 CG1 ILE A 119 47.305 25.830 -7.255 1.00 0.00 C ATOM 1409 CG2 ILE A 119 48.954 27.239 -8.507 1.00 0.00 C ATOM 1410 CD1 ILE A 119 47.670 26.418 -5.885 1.00 0.00 C ATOM 0 H ILE A 119 44.960 26.947 -8.057 1.00 0.00 H new ATOM 0 HA ILE A 119 47.166 28.632 -7.130 1.00 0.00 H new ATOM 0 HB ILE A 119 47.097 26.493 -9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 119 46.276 25.471 -7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 119 47.940 24.970 -7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.514 26.343 -8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.071 27.988 -9.290 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.333 27.636 -7.565 1.00 0.00 H new ATOM 0 HD11 ILE A 119 47.545 25.655 -5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 119 48.707 26.754 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 119 47.017 27.263 -5.666 1.00 0.00 H new ATOM 1422 N CYS A 120 45.550 29.130 -9.884 1.00 0.00 N ATOM 1423 CA CYS A 120 45.405 30.019 -11.037 1.00 0.00 C ATOM 1424 C CYS A 120 44.974 31.414 -10.599 1.00 0.00 C ATOM 1425 O CYS A 120 45.327 32.409 -11.231 1.00 0.00 O ATOM 1426 CB CYS A 120 44.394 29.438 -12.034 1.00 0.00 C ATOM 1427 SG CYS A 120 45.120 27.977 -12.801 1.00 0.00 S ATOM 0 H CYS A 120 44.735 28.546 -9.695 1.00 0.00 H new ATOM 0 HA CYS A 120 46.375 30.101 -11.527 1.00 0.00 H new ATOM 0 HB2 CYS A 120 43.467 29.177 -11.524 1.00 0.00 H new ATOM 0 HB3 CYS A 120 44.142 30.179 -12.793 1.00 0.00 H new ATOM 0 HG CYS A 120 44.373 26.942 -12.555 1.00 0.00 H new ATOM 1432 N VAL A 121 44.212 31.479 -9.513 1.00 0.00 N ATOM 1433 CA VAL A 121 43.741 32.760 -8.996 1.00 0.00 C ATOM 1434 C VAL A 121 44.863 33.496 -8.269 1.00 0.00 C ATOM 1435 O VAL A 121 45.049 34.699 -8.448 1.00 0.00 O ATOM 1436 CB VAL A 121 42.566 32.537 -8.043 1.00 0.00 C ATOM 1437 CG1 VAL A 121 41.424 31.857 -8.798 1.00 0.00 C ATOM 1438 CG2 VAL A 121 43.007 31.641 -6.883 1.00 0.00 C ATOM 0 H VAL A 121 43.909 30.666 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 121 43.414 33.371 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 121 42.230 33.498 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 121 40.585 31.697 -8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 121 41.107 32.491 -9.626 1.00 0.00 H new ATOM 0 HG13 VAL A 121 41.765 30.897 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 121 42.168 31.484 -6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 121 43.344 30.680 -7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 121 43.824 32.120 -6.344 1.00 0.00 H new ATOM 1448 N HIS A 122 45.605 32.764 -7.444 1.00 0.00 N ATOM 1449 CA HIS A 122 46.704 33.354 -6.687 1.00 0.00 C ATOM 1450 C HIS A 122 47.945 33.477 -7.562 1.00 0.00 C ATOM 1451 O HIS A 122 49.005 33.896 -7.097 1.00 0.00 O ATOM 1452 CB HIS A 122 47.021 32.492 -5.462 1.00 0.00 C ATOM 1453 CG HIS A 122 45.836 32.479 -4.534 1.00 0.00 C ATOM 1454 ND1 HIS A 122 45.463 31.345 -3.829 1.00 0.00 N ATOM 1455 CD2 HIS A 122 44.931 33.451 -4.183 1.00 0.00 C ATOM 1456 CE1 HIS A 122 44.379 31.660 -3.098 1.00 0.00 C ATOM 1457 NE2 HIS A 122 44.013 32.931 -3.278 1.00 0.00 N ATOM 0 H HIS A 122 45.467 31.766 -7.283 1.00 0.00 H new ATOM 0 HA HIS A 122 46.403 34.349 -6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 122 47.264 31.476 -5.773 1.00 0.00 H new ATOM 0 HB3 HIS A 122 47.896 32.885 -4.945 1.00 0.00 H new ATOM 0 HD2 HIS A 122 44.933 34.465 -4.554 1.00 0.00 H new ATOM 0 HE1 HIS A 122 43.867 30.969 -2.445 1.00 0.00 H new ATOM 0 HE2 HIS A 122 43.228 33.417 -2.844 1.00 0.00 H new