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 -152:sc= 0.054 USER MOD Set 1.2: A 96 CYS SG : rot 134:sc= 0.402 USER MOD Set 1.3: A 117 CYS SG : rot -55:sc= -1.62 USER MOD Set 1.4: A 120 CYS SG : rot 53:sc= -6.04! USER MOD Set 2.1: A 47 LYS NZ :NH3+ 147:sc= 1.01 (180deg=0) USER MOD Set 2.2: A 82 THR OG1 : rot -122:sc= 0.879 USER MOD Set 3.1: A 42 CYS SG : rot 161:sc= 0.658 USER MOD Set 3.2: A 45 CYS SG : rot -53:sc= -2.15 USER MOD Set 3.3: A 80 CYS SG : rot -149:sc= 1.1 USER MOD Set 3.4: A 83 CYS SG : rot 83:sc= -1.6 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -145:sc= 0 (180deg=-0.931) USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= -0.0613 (180deg=-0.427) USER MOD Single : A 53 SER OG : rot 130:sc= -2.44 USER MOD Single : A 54 TYR OH : rot 180:sc=-0.00896 USER MOD Single : A 55 SER OG : rot 180:sc=-0.00618 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00561 K(o=-0.0056,f=-1.2) USER MOD Single : A 60 SER OG : rot -33:sc= 0.359 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -98:sc= 0.342 USER MOD Single : A 64 THR OG1 : rot 100:sc= -1.09 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 21:sc= 0.191 USER MOD Single : A 74 SER OG : rot -39:sc= 1.17 USER MOD Single : A 77 LYS NZ :NH3+ -123:sc= -0.714 (180deg=-2.19!) USER MOD Single : A 90 SER OG : rot 39:sc= -0.0908 USER MOD Single : A 94 THR OG1 : rot -135:sc= 1.15 USER MOD Single : A 97 GLN : amide:sc=-0.00398 K(o=-0.004,f=-0.95) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 99 THR OG1 : rot -21:sc= 0.137 USER MOD Single : A 100 LYS NZ :NH3+ -133:sc= 0.149 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1.9!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.515 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -6.09! C(o=-6.1!,f=-10!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 122 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 37 4.623 18.480 -11.600 1.00 0.00 N ATOM 88 CA ASP A 37 4.522 17.105 -12.085 1.00 0.00 C ATOM 89 C ASP A 37 5.442 16.891 -13.281 1.00 0.00 C ATOM 90 O ASP A 37 5.365 15.870 -13.964 1.00 0.00 O ATOM 91 CB ASP A 37 3.079 16.795 -12.490 1.00 0.00 C ATOM 92 CG ASP A 37 2.918 15.300 -12.738 1.00 0.00 C ATOM 93 OD1 ASP A 37 3.893 14.584 -12.577 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 1.820 14.891 -13.080 1.00 0.00 O ATOM 0 HA ASP A 37 4.825 16.435 -11.281 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.395 17.118 -11.705 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.817 17.352 -13.390 1.00 0.00 H new ATOM 99 N ALA A 38 6.314 17.862 -13.522 1.00 0.00 N ATOM 100 CA ALA A 38 7.254 17.776 -14.637 1.00 0.00 C ATOM 101 C ALA A 38 8.228 16.628 -14.425 1.00 0.00 C ATOM 102 O ALA A 38 8.650 16.363 -13.300 1.00 0.00 O ATOM 103 CB ALA A 38 8.032 19.083 -14.776 1.00 0.00 C ATOM 0 H ALA A 38 6.391 18.713 -12.966 1.00 0.00 H new ATOM 0 HA ALA A 38 6.685 17.597 -15.549 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.729 19.005 -15.611 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.337 19.902 -14.959 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.586 19.276 -13.858 1.00 0.00 H new ATOM 109 N LEU A 39 8.590 15.946 -15.516 1.00 0.00 N ATOM 110 CA LEU A 39 9.528 14.826 -15.442 1.00 0.00 C ATOM 111 C LEU A 39 10.760 15.111 -16.280 1.00 0.00 C ATOM 112 O LEU A 39 10.666 15.379 -17.478 1.00 0.00 O ATOM 113 CB LEU A 39 8.862 13.541 -15.938 1.00 0.00 C ATOM 114 CG LEU A 39 7.634 13.203 -15.052 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.354 13.768 -15.678 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.493 11.680 -14.911 1.00 0.00 C ATOM 0 H LEU A 39 8.249 16.150 -16.455 1.00 0.00 H new ATOM 0 HA LEU A 39 9.825 14.698 -14.401 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.550 13.660 -16.976 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.577 12.718 -15.913 1.00 0.00 H new ATOM 0 HG LEU A 39 7.784 13.651 -14.070 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.501 13.523 -15.045 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.440 14.851 -15.768 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.210 13.332 -16.667 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.629 11.451 -14.288 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.358 11.234 -15.897 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.392 11.273 -14.449 1.00 0.00 H new ATOM 128 N ILE A 40 11.919 15.053 -15.636 1.00 0.00 N ATOM 129 CA ILE A 40 13.188 15.310 -16.317 1.00 0.00 C ATOM 130 C ILE A 40 13.817 14.007 -16.787 1.00 0.00 C ATOM 131 O ILE A 40 13.780 12.996 -16.086 1.00 0.00 O ATOM 132 CB ILE A 40 14.153 16.039 -15.382 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.648 17.460 -15.124 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.546 16.121 -16.030 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.266 17.436 -14.453 1.00 0.00 C ATOM 0 H ILE A 40 12.010 14.831 -14.645 1.00 0.00 H new ATOM 0 HA ILE A 40 12.988 15.938 -17.185 1.00 0.00 H new ATOM 0 HB ILE A 40 14.214 15.490 -14.442 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.356 17.992 -14.489 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.591 18.007 -16.065 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.229 16.642 -15.359 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.919 15.114 -16.219 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.478 16.665 -16.972 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.928 18.458 -14.280 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.555 16.924 -15.102 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.333 16.909 -13.501 1.00 0.00 H new ATOM 147 N MET A 41 14.398 14.043 -17.979 1.00 0.00 N ATOM 148 CA MET A 41 15.043 12.862 -18.544 1.00 0.00 C ATOM 149 C MET A 41 16.498 12.777 -18.091 1.00 0.00 C ATOM 150 O MET A 41 17.284 13.696 -18.327 1.00 0.00 O ATOM 151 CB MET A 41 14.990 12.922 -20.071 1.00 0.00 C ATOM 152 CG MET A 41 15.506 11.603 -20.646 1.00 0.00 C ATOM 153 SD MET A 41 15.356 11.630 -22.450 1.00 0.00 S ATOM 154 CE MET A 41 16.017 9.974 -22.756 1.00 0.00 C ATOM 0 H MET A 41 14.437 14.872 -18.572 1.00 0.00 H new ATOM 0 HA MET A 41 14.511 11.978 -18.193 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.968 13.102 -20.404 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.595 13.752 -20.435 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.547 11.452 -20.359 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.938 10.768 -20.236 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.017 9.775 -23.828 1.00 0.00 H new ATOM 0 HE2 MET A 41 17.037 9.913 -22.376 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.396 9.235 -22.249 1.00 0.00 H new ATOM 164 N CYS A 42 16.852 11.665 -17.454 1.00 0.00 N ATOM 165 CA CYS A 42 18.225 11.465 -16.987 1.00 0.00 C ATOM 166 C CYS A 42 19.070 10.896 -18.119 1.00 0.00 C ATOM 167 O CYS A 42 18.909 9.747 -18.502 1.00 0.00 O ATOM 168 CB CYS A 42 18.233 10.496 -15.805 1.00 0.00 C ATOM 169 SG CYS A 42 19.914 10.353 -15.136 1.00 0.00 S ATOM 0 H CYS A 42 16.216 10.894 -17.249 1.00 0.00 H new ATOM 0 HA CYS A 42 18.640 12.422 -16.670 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.552 10.848 -15.030 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.874 9.517 -16.123 1.00 0.00 H new ATOM 0 HG CYS A 42 19.861 9.880 -13.926 1.00 0.00 H new ATOM 174 N MET A 43 19.981 11.696 -18.641 1.00 0.00 N ATOM 175 CA MET A 43 20.834 11.236 -19.733 1.00 0.00 C ATOM 176 C MET A 43 21.708 10.072 -19.290 1.00 0.00 C ATOM 177 O MET A 43 22.384 9.446 -20.107 1.00 0.00 O ATOM 178 CB MET A 43 21.717 12.385 -20.218 1.00 0.00 C ATOM 179 CG MET A 43 22.712 12.783 -19.117 1.00 0.00 C ATOM 180 SD MET A 43 24.173 11.717 -19.212 1.00 0.00 S ATOM 181 CE MET A 43 25.107 12.484 -17.862 1.00 0.00 C ATOM 0 H MET A 43 20.152 12.654 -18.336 1.00 0.00 H new ATOM 0 HA MET A 43 20.194 10.896 -20.547 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.257 12.086 -21.117 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.099 13.241 -20.488 1.00 0.00 H new ATOM 0 HG2 MET A 43 23.002 13.827 -19.234 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.243 12.690 -18.137 1.00 0.00 H new ATOM 0 HE1 MET A 43 26.171 12.466 -18.099 1.00 0.00 H new ATOM 0 HE2 MET A 43 24.781 13.516 -17.735 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.932 11.932 -16.939 1.00 0.00 H new ATOM 191 N ARG A 44 21.699 9.788 -17.995 1.00 0.00 N ATOM 192 CA ARG A 44 22.505 8.693 -17.463 1.00 0.00 C ATOM 193 C ARG A 44 21.761 7.366 -17.575 1.00 0.00 C ATOM 194 O ARG A 44 22.168 6.476 -18.319 1.00 0.00 O ATOM 195 CB ARG A 44 22.847 8.964 -15.994 1.00 0.00 C ATOM 196 CG ARG A 44 24.064 8.118 -15.569 1.00 0.00 C ATOM 197 CD ARG A 44 25.360 8.869 -15.883 1.00 0.00 C ATOM 198 NE ARG A 44 26.509 8.095 -15.442 1.00 0.00 N ATOM 199 CZ ARG A 44 27.711 8.646 -15.366 1.00 0.00 C ATOM 200 NH1 ARG A 44 27.872 9.902 -15.682 1.00 0.00 N ATOM 201 NH2 ARG A 44 28.729 7.934 -14.973 1.00 0.00 N1+ ATOM 0 H ARG A 44 21.150 10.293 -17.299 1.00 0.00 H new ATOM 0 HA ARG A 44 23.422 8.629 -18.048 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.063 10.023 -15.852 1.00 0.00 H new ATOM 0 HB3 ARG A 44 21.991 8.726 -15.363 1.00 0.00 H new ATOM 0 HG2 ARG A 44 24.010 7.899 -14.503 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.053 7.162 -16.092 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.429 9.058 -16.954 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.355 9.840 -15.388 1.00 0.00 H new ATOM 0 HE ARG A 44 26.388 7.115 -15.188 1.00 0.00 H new ATOM 0 HH11 ARG A 44 27.073 10.458 -15.987 1.00 0.00 H new ATOM 0 HH12 ARG A 44 28.797 10.328 -15.624 1.00 0.00 H new ATOM 0 HH21 ARG A 44 28.600 6.953 -14.724 1.00 0.00 H new ATOM 0 HH22 ARG A 44 29.655 8.357 -14.914 1.00 0.00 H new ATOM 215 N CYS A 45 20.669 7.239 -16.819 1.00 0.00 N ATOM 216 CA CYS A 45 19.869 6.014 -16.828 1.00 0.00 C ATOM 217 C CYS A 45 18.594 6.207 -17.646 1.00 0.00 C ATOM 218 O CYS A 45 17.661 5.409 -17.554 1.00 0.00 O ATOM 219 CB CYS A 45 19.512 5.618 -15.390 1.00 0.00 C ATOM 220 SG CYS A 45 18.520 6.923 -14.621 1.00 0.00 S ATOM 0 H CYS A 45 20.320 7.967 -16.195 1.00 0.00 H new ATOM 0 HA CYS A 45 20.456 5.219 -17.288 1.00 0.00 H new ATOM 0 HB2 CYS A 45 18.958 4.679 -15.389 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.421 5.452 -14.813 1.00 0.00 H new ATOM 0 HG CYS A 45 19.137 8.062 -14.736 1.00 0.00 H new ATOM 225 N ARG A 46 18.563 7.268 -18.452 1.00 0.00 N ATOM 226 CA ARG A 46 17.399 7.551 -19.291 1.00 0.00 C ATOM 227 C ARG A 46 16.103 7.340 -18.515 1.00 0.00 C ATOM 228 O ARG A 46 15.069 7.009 -19.093 1.00 0.00 O ATOM 229 CB ARG A 46 17.417 6.648 -20.517 1.00 0.00 C ATOM 230 CG ARG A 46 18.745 6.839 -21.256 1.00 0.00 C ATOM 231 CD ARG A 46 18.682 6.116 -22.597 1.00 0.00 C ATOM 232 NE ARG A 46 19.980 6.159 -23.263 1.00 0.00 N ATOM 233 CZ ARG A 46 20.336 7.192 -24.023 1.00 0.00 C ATOM 234 NH1 ARG A 46 19.521 8.196 -24.184 1.00 0.00 N ATOM 235 NH2 ARG A 46 21.504 7.197 -24.606 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.324 7.941 -18.542 1.00 0.00 H new ATOM 0 HA ARG A 46 17.446 8.594 -19.604 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.298 5.606 -20.219 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.582 6.889 -21.175 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.939 7.900 -21.410 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.568 6.448 -20.657 1.00 0.00 H new ATOM 0 HD2 ARG A 46 18.379 5.080 -22.444 1.00 0.00 H new ATOM 0 HD3 ARG A 46 17.926 6.579 -23.231 1.00 0.00 H new ATOM 0 HE ARG A 46 20.628 5.381 -23.143 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.609 8.191 -23.727 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.795 8.987 -24.767 1.00 0.00 H new ATOM 0 HH21 ARG A 46 22.141 6.411 -24.479 1.00 0.00 H new ATOM 0 HH22 ARG A 46 21.780 7.987 -25.189 1.00 0.00 H new ATOM 249 N LYS A 47 16.166 7.544 -17.202 1.00 0.00 N ATOM 250 CA LYS A 47 14.989 7.384 -16.350 1.00 0.00 C ATOM 251 C LYS A 47 14.230 8.702 -16.252 1.00 0.00 C ATOM 252 O LYS A 47 14.831 9.762 -16.081 1.00 0.00 O ATOM 253 CB LYS A 47 15.409 6.934 -14.953 1.00 0.00 C ATOM 254 CG LYS A 47 14.163 6.627 -14.122 1.00 0.00 C ATOM 255 CD LYS A 47 14.580 6.048 -12.764 1.00 0.00 C ATOM 256 CE LYS A 47 15.218 7.136 -11.891 1.00 0.00 C ATOM 257 NZ LYS A 47 15.223 6.688 -10.469 1.00 0.00 N1+ ATOM 0 H LYS A 47 17.014 7.819 -16.706 1.00 0.00 H new ATOM 0 HA LYS A 47 14.341 6.627 -16.792 1.00 0.00 H new ATOM 0 HB2 LYS A 47 16.042 6.049 -15.019 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.999 7.713 -14.470 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.577 7.535 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.526 5.918 -14.651 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.710 5.630 -12.257 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.286 5.231 -12.911 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.236 7.335 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.662 8.069 -11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.065 7.065 -9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.367 7.037 -9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.240 5.649 -10.432 1.00 0.00 H new ATOM 271 N VAL A 48 12.903 8.627 -16.350 1.00 0.00 N ATOM 272 CA VAL A 48 12.056 9.820 -16.264 1.00 0.00 C ATOM 273 C VAL A 48 11.315 9.831 -14.934 1.00 0.00 C ATOM 274 O VAL A 48 10.527 8.934 -14.642 1.00 0.00 O ATOM 275 CB VAL A 48 11.048 9.829 -17.430 1.00 0.00 C ATOM 276 CG1 VAL A 48 11.668 10.509 -18.655 1.00 0.00 C ATOM 277 CG2 VAL A 48 10.684 8.386 -17.787 1.00 0.00 C ATOM 0 H VAL A 48 12.391 7.756 -16.489 1.00 0.00 H new ATOM 0 HA VAL A 48 12.682 10.710 -16.329 1.00 0.00 H new ATOM 0 HB VAL A 48 10.156 10.378 -17.130 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.948 10.510 -19.474 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.935 11.536 -18.405 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.562 9.965 -18.959 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.971 8.384 -18.611 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.583 7.847 -18.084 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.238 7.898 -16.920 1.00 0.00 H new ATOM 287 N LYS A 49 11.575 10.861 -14.139 1.00 0.00 N ATOM 288 CA LYS A 49 10.942 11.005 -12.832 1.00 0.00 C ATOM 289 C LYS A 49 10.720 12.478 -12.513 1.00 0.00 C ATOM 290 O LYS A 49 11.254 13.361 -13.181 1.00 0.00 O ATOM 291 CB LYS A 49 11.824 10.350 -11.759 1.00 0.00 C ATOM 292 CG LYS A 49 11.396 8.894 -11.505 1.00 0.00 C ATOM 293 CD LYS A 49 10.209 8.860 -10.534 1.00 0.00 C ATOM 294 CE LYS A 49 9.802 7.413 -10.279 1.00 0.00 C ATOM 295 NZ LYS A 49 10.889 6.725 -9.532 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.222 11.612 -14.377 1.00 0.00 H new ATOM 0 HA LYS A 49 9.972 10.508 -12.846 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.867 10.376 -12.075 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.758 10.919 -10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.121 8.417 -12.446 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.231 8.327 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.479 9.344 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.369 9.417 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.874 7.379 -9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.614 6.903 -11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.507 5.878 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.642 6.446 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.279 7.369 -8.815 1.00 0.00 H new ATOM 309 N GLY A 50 9.923 12.724 -11.481 1.00 0.00 N ATOM 310 CA GLY A 50 9.610 14.086 -11.065 1.00 0.00 C ATOM 311 C GLY A 50 10.584 14.575 -10.005 1.00 0.00 C ATOM 312 O GLY A 50 11.534 13.878 -9.651 1.00 0.00 O ATOM 0 H GLY A 50 9.481 11.998 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.645 14.750 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.593 14.125 -10.674 1.00 0.00 H new ATOM 316 N ILE A 51 10.345 15.781 -9.504 1.00 0.00 N ATOM 317 CA ILE A 51 11.217 16.353 -8.485 1.00 0.00 C ATOM 318 C ILE A 51 11.455 15.361 -7.340 1.00 0.00 C ATOM 319 O ILE A 51 12.327 15.574 -6.496 1.00 0.00 O ATOM 320 CB ILE A 51 10.589 17.637 -7.933 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.610 18.370 -7.057 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.355 17.290 -7.095 1.00 0.00 C ATOM 323 CD1 ILE A 51 11.085 19.766 -6.725 1.00 0.00 C ATOM 0 H ILE A 51 9.565 16.376 -9.782 1.00 0.00 H new ATOM 0 HA ILE A 51 12.179 16.580 -8.945 1.00 0.00 H new ATOM 0 HB ILE A 51 10.293 18.278 -8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.788 17.809 -6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.565 18.443 -7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.911 18.206 -6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.627 16.771 -7.718 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.648 16.646 -6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.810 20.289 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.930 20.325 -7.648 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.140 19.681 -6.188 1.00 0.00 H new ATOM 335 N ASP A 52 10.686 14.274 -7.314 1.00 0.00 N ATOM 336 CA ASP A 52 10.832 13.266 -6.272 1.00 0.00 C ATOM 337 C ASP A 52 12.176 12.558 -6.397 1.00 0.00 C ATOM 338 O ASP A 52 12.856 12.304 -5.402 1.00 0.00 O ATOM 339 CB ASP A 52 9.698 12.247 -6.385 1.00 0.00 C ATOM 340 CG ASP A 52 9.746 11.287 -5.207 1.00 0.00 C ATOM 341 OD1 ASP A 52 10.738 11.302 -4.497 1.00 0.00 O ATOM 342 OD2 ASP A 52 8.787 10.553 -5.026 1.00 0.00 O1- ATOM 0 H ASP A 52 9.959 14.071 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 52 10.788 13.756 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.737 12.761 -6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.786 11.694 -7.320 1.00 0.00 H new ATOM 347 N SER A 53 12.552 12.241 -7.636 1.00 0.00 N ATOM 348 CA SER A 53 13.830 11.561 -7.892 1.00 0.00 C ATOM 349 C SER A 53 14.893 12.555 -8.361 1.00 0.00 C ATOM 350 O SER A 53 15.995 12.162 -8.750 1.00 0.00 O ATOM 351 CB SER A 53 13.661 10.464 -8.942 1.00 0.00 C ATOM 352 OG SER A 53 13.958 10.998 -10.220 1.00 0.00 O ATOM 0 H SER A 53 12.001 12.439 -8.471 1.00 0.00 H new ATOM 0 HA SER A 53 14.156 11.110 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.323 9.626 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.642 10.079 -8.923 1.00 0.00 H new ATOM 0 HG SER A 53 14.594 10.411 -10.680 1.00 0.00 H new ATOM 358 N TYR A 54 14.556 13.844 -8.319 1.00 0.00 N ATOM 359 CA TYR A 54 15.480 14.905 -8.741 1.00 0.00 C ATOM 360 C TYR A 54 15.656 15.937 -7.628 1.00 0.00 C ATOM 361 O TYR A 54 14.690 16.354 -6.986 1.00 0.00 O ATOM 362 CB TYR A 54 14.945 15.588 -10.029 1.00 0.00 C ATOM 363 CG TYR A 54 15.615 14.997 -11.255 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.367 13.670 -11.626 1.00 0.00 C ATOM 365 CD2 TYR A 54 16.501 15.777 -12.010 1.00 0.00 C ATOM 366 CE1 TYR A 54 16.003 13.125 -12.745 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.132 15.231 -13.127 1.00 0.00 C ATOM 368 CZ TYR A 54 16.888 13.905 -13.495 1.00 0.00 C ATOM 369 OH TYR A 54 17.517 13.370 -14.598 1.00 0.00 O ATOM 0 H TYR A 54 13.649 14.182 -7.997 1.00 0.00 H new ATOM 0 HA TYR A 54 16.452 14.460 -8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.865 15.456 -10.097 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.133 16.661 -9.985 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.683 13.067 -11.047 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.695 16.801 -11.727 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.811 12.101 -13.030 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.812 15.835 -13.710 1.00 0.00 H new ATOM 0 HH TYR A 54 18.097 14.047 -15.005 1.00 0.00 H new ATOM 379 N SER A 55 16.901 16.344 -7.417 1.00 0.00 N ATOM 380 CA SER A 55 17.211 17.329 -6.400 1.00 0.00 C ATOM 381 C SER A 55 16.659 18.690 -6.806 1.00 0.00 C ATOM 382 O SER A 55 16.543 18.995 -7.994 1.00 0.00 O ATOM 383 CB SER A 55 18.726 17.426 -6.209 1.00 0.00 C ATOM 384 OG SER A 55 19.016 18.498 -5.324 1.00 0.00 O ATOM 0 H SER A 55 17.709 16.005 -7.939 1.00 0.00 H new ATOM 0 HA SER A 55 16.750 17.021 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.115 16.491 -5.806 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.216 17.588 -7.169 1.00 0.00 H new ATOM 0 HG SER A 55 19.985 18.564 -5.197 1.00 0.00 H new ATOM 390 N LYS A 56 16.319 19.499 -5.815 1.00 0.00 N ATOM 391 CA LYS A 56 15.780 20.826 -6.075 1.00 0.00 C ATOM 392 C LYS A 56 16.765 21.658 -6.882 1.00 0.00 C ATOM 393 O LYS A 56 16.375 22.398 -7.785 1.00 0.00 O ATOM 394 CB LYS A 56 15.484 21.530 -4.752 1.00 0.00 C ATOM 395 CG LYS A 56 14.575 22.739 -4.999 1.00 0.00 C ATOM 396 CD LYS A 56 14.183 23.394 -3.665 1.00 0.00 C ATOM 397 CE LYS A 56 13.062 22.600 -2.979 1.00 0.00 C ATOM 398 NZ LYS A 56 12.523 23.395 -1.838 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.406 19.262 -4.827 1.00 0.00 H new ATOM 0 HA LYS A 56 14.860 20.719 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.004 20.838 -4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.415 21.853 -4.285 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.087 23.464 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.679 22.425 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.053 23.445 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.855 24.419 -3.840 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.267 22.380 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.444 21.643 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.763 22.860 -1.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.285 23.583 -1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.145 24.297 -2.191 1.00 0.00 H new ATOM 412 N THR A 57 18.045 21.539 -6.549 1.00 0.00 N ATOM 413 CA THR A 57 19.071 22.293 -7.251 1.00 0.00 C ATOM 414 C THR A 57 19.107 21.905 -8.725 1.00 0.00 C ATOM 415 O THR A 57 19.084 22.769 -9.596 1.00 0.00 O ATOM 416 CB THR A 57 20.438 22.022 -6.623 1.00 0.00 C ATOM 417 OG1 THR A 57 20.421 22.431 -5.264 1.00 0.00 O ATOM 418 CG2 THR A 57 21.518 22.799 -7.381 1.00 0.00 C ATOM 0 H THR A 57 18.393 20.934 -5.805 1.00 0.00 H new ATOM 0 HA THR A 57 18.834 23.354 -7.169 1.00 0.00 H new ATOM 0 HB THR A 57 20.658 20.956 -6.680 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.296 22.257 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.491 22.603 -6.930 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.531 22.481 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 57 21.302 23.866 -7.329 1.00 0.00 H new ATOM 426 N GLN A 58 19.156 20.602 -8.997 1.00 0.00 N ATOM 427 CA GLN A 58 19.189 20.118 -10.372 1.00 0.00 C ATOM 428 C GLN A 58 17.865 20.391 -11.077 1.00 0.00 C ATOM 429 O GLN A 58 17.836 20.729 -12.257 1.00 0.00 O ATOM 430 CB GLN A 58 19.484 18.619 -10.395 1.00 0.00 C ATOM 431 CG GLN A 58 20.925 18.374 -9.942 1.00 0.00 C ATOM 432 CD GLN A 58 21.203 16.875 -9.882 1.00 0.00 C ATOM 433 OE1 GLN A 58 20.316 16.093 -9.539 1.00 0.00 O ATOM 434 NE2 GLN A 58 22.386 16.427 -10.198 1.00 0.00 N ATOM 0 H GLN A 58 19.174 19.869 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 58 19.980 20.651 -10.900 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.791 18.091 -9.740 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.336 18.224 -11.400 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.619 18.854 -10.632 1.00 0.00 H new ATOM 0 HG3 GLN A 58 21.089 18.823 -8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 58 23.119 17.077 -10.482 1.00 0.00 H new ATOM 0 HE22 GLN A 58 22.579 15.426 -10.161 1.00 0.00 H new ATOM 443 N TRP A 59 16.771 20.239 -10.348 1.00 0.00 N ATOM 444 CA TRP A 59 15.447 20.473 -10.913 1.00 0.00 C ATOM 445 C TRP A 59 15.257 21.955 -11.237 1.00 0.00 C ATOM 446 O TRP A 59 14.654 22.307 -12.250 1.00 0.00 O ATOM 447 CB TRP A 59 14.372 20.016 -9.929 1.00 0.00 C ATOM 448 CG TRP A 59 13.028 20.119 -10.576 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.514 19.214 -11.437 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.019 21.156 -10.423 1.00 0.00 C ATOM 451 NE1 TRP A 59 11.254 19.635 -11.834 1.00 0.00 N ATOM 452 CE2 TRP A 59 10.906 20.828 -11.234 1.00 0.00 C ATOM 453 CE3 TRP A 59 11.962 22.342 -9.669 1.00 0.00 C ATOM 454 CZ2 TRP A 59 9.778 21.646 -11.295 1.00 0.00 C ATOM 455 CZ3 TRP A 59 10.827 23.167 -9.728 1.00 0.00 C ATOM 456 CH2 TRP A 59 9.737 22.821 -10.539 1.00 0.00 C ATOM 0 H TRP A 59 16.771 19.956 -9.368 1.00 0.00 H new ATOM 0 HA TRP A 59 15.357 19.899 -11.836 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.561 18.988 -9.619 1.00 0.00 H new ATOM 0 HB3 TRP A 59 14.402 20.631 -9.029 1.00 0.00 H new ATOM 0 HD1 TRP A 59 13.005 18.309 -11.763 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.659 19.126 -12.488 1.00 0.00 H new ATOM 0 HE3 TRP A 59 12.796 22.620 -9.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.942 21.373 -11.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 10.794 24.075 -9.144 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.868 23.461 -10.580 1.00 0.00 H new ATOM 467 N SER A 60 15.767 22.815 -10.362 1.00 0.00 N ATOM 468 CA SER A 60 15.644 24.257 -10.548 1.00 0.00 C ATOM 469 C SER A 60 16.337 24.700 -11.833 1.00 0.00 C ATOM 470 O SER A 60 16.145 25.825 -12.298 1.00 0.00 O ATOM 471 CB SER A 60 16.258 24.998 -9.360 1.00 0.00 C ATOM 472 OG SER A 60 16.042 26.394 -9.517 1.00 0.00 O ATOM 0 H SER A 60 16.269 22.539 -9.518 1.00 0.00 H new ATOM 0 HA SER A 60 14.583 24.498 -10.618 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.810 24.651 -8.429 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.326 24.788 -9.298 1.00 0.00 H new ATOM 0 HG SER A 60 16.062 26.623 -10.470 1.00 0.00 H new ATOM 478 N LYS A 61 17.137 23.807 -12.410 1.00 0.00 N ATOM 479 CA LYS A 61 17.851 24.116 -13.651 1.00 0.00 C ATOM 480 C LYS A 61 16.969 23.839 -14.859 1.00 0.00 C ATOM 481 O LYS A 61 17.317 24.192 -15.981 1.00 0.00 O ATOM 482 CB LYS A 61 19.124 23.278 -13.754 1.00 0.00 C ATOM 483 CG LYS A 61 20.086 23.692 -12.647 1.00 0.00 C ATOM 484 CD LYS A 61 21.334 22.815 -12.701 1.00 0.00 C ATOM 485 CE LYS A 61 22.244 23.170 -11.531 1.00 0.00 C ATOM 486 NZ LYS A 61 23.448 22.289 -11.549 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.308 22.870 -12.044 1.00 0.00 H new ATOM 0 HA LYS A 61 18.114 25.174 -13.635 1.00 0.00 H new ATOM 0 HB2 LYS A 61 18.884 22.218 -13.667 1.00 0.00 H new ATOM 0 HB3 LYS A 61 19.590 23.420 -14.729 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.360 24.741 -12.763 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.602 23.595 -11.675 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.056 21.762 -12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.859 22.965 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.545 24.216 -11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.707 23.050 -10.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.068 22.532 -10.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.152 21.295 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.964 22.425 -12.442 1.00 0.00 H new ATOM 500 N THR A 62 15.835 23.197 -14.620 1.00 0.00 N ATOM 501 CA THR A 62 14.907 22.865 -15.703 1.00 0.00 C ATOM 502 C THR A 62 14.298 24.129 -16.302 1.00 0.00 C ATOM 503 O THR A 62 13.502 24.062 -17.238 1.00 0.00 O ATOM 504 CB THR A 62 13.786 21.959 -15.185 1.00 0.00 C ATOM 505 OG1 THR A 62 13.096 22.612 -14.131 1.00 0.00 O ATOM 506 CG2 THR A 62 14.378 20.652 -14.665 1.00 0.00 C ATOM 0 H THR A 62 15.532 22.895 -13.694 1.00 0.00 H new ATOM 0 HA THR A 62 15.469 22.341 -16.477 1.00 0.00 H new ATOM 0 HB THR A 62 13.094 21.746 -15.999 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.442 22.298 -13.270 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.577 20.011 -14.297 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.907 20.146 -15.472 1.00 0.00 H new ATOM 0 HG23 THR A 62 15.073 20.865 -13.853 1.00 0.00 H new ATOM 514 N PHE A 63 14.660 25.276 -15.744 1.00 0.00 N ATOM 515 CA PHE A 63 14.155 26.552 -16.211 1.00 0.00 C ATOM 516 C PHE A 63 15.097 27.665 -15.780 1.00 0.00 C ATOM 517 O PHE A 63 15.910 27.489 -14.871 1.00 0.00 O ATOM 518 CB PHE A 63 12.749 26.805 -15.663 1.00 0.00 C ATOM 519 CG PHE A 63 12.729 26.545 -14.177 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.198 27.515 -13.285 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.237 25.328 -13.694 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.176 27.266 -11.907 1.00 0.00 C ATOM 523 CE2 PHE A 63 12.214 25.077 -12.318 1.00 0.00 C ATOM 524 CZ PHE A 63 12.684 26.047 -11.424 1.00 0.00 C ATOM 0 H PHE A 63 15.308 25.345 -14.960 1.00 0.00 H new ATOM 0 HA PHE A 63 14.100 26.533 -17.299 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.448 27.833 -15.866 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.030 26.157 -16.165 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.577 28.455 -13.659 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.874 24.581 -14.384 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.538 28.014 -11.217 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.834 24.137 -11.946 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.667 25.855 -10.361 1.00 0.00 H new ATOM 534 N THR A 64 14.988 28.808 -16.445 1.00 0.00 N ATOM 535 CA THR A 64 15.836 29.959 -16.150 1.00 0.00 C ATOM 536 C THR A 64 14.992 31.224 -16.064 1.00 0.00 C ATOM 537 O THR A 64 13.807 31.215 -16.398 1.00 0.00 O ATOM 538 CB THR A 64 16.897 30.118 -17.241 1.00 0.00 C ATOM 539 OG1 THR A 64 16.274 30.151 -18.518 1.00 0.00 O ATOM 540 CG2 THR A 64 17.884 28.955 -17.182 1.00 0.00 C ATOM 0 H THR A 64 14.317 28.964 -17.197 1.00 0.00 H new ATOM 0 HA THR A 64 16.329 29.796 -15.192 1.00 0.00 H new ATOM 0 HB THR A 64 17.435 31.052 -17.078 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.198 31.080 -18.821 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.636 29.076 -17.962 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.371 28.941 -16.207 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.350 28.017 -17.335 1.00 0.00 H new ATOM 548 N PHE A 65 15.609 32.311 -15.602 1.00 0.00 N ATOM 549 CA PHE A 65 14.910 33.591 -15.464 1.00 0.00 C ATOM 550 C PHE A 65 15.378 34.571 -16.534 1.00 0.00 C ATOM 551 O PHE A 65 16.566 34.877 -16.637 1.00 0.00 O ATOM 552 CB PHE A 65 15.172 34.169 -14.048 1.00 0.00 C ATOM 553 CG PHE A 65 13.867 34.573 -13.392 1.00 0.00 C ATOM 554 CD1 PHE A 65 12.873 33.611 -13.193 1.00 0.00 C ATOM 555 CD2 PHE A 65 13.648 35.902 -13.001 1.00 0.00 C ATOM 556 CE1 PHE A 65 11.660 33.972 -12.603 1.00 0.00 C ATOM 557 CE2 PHE A 65 12.430 36.262 -12.412 1.00 0.00 C ATOM 558 CZ PHE A 65 11.437 35.298 -12.216 1.00 0.00 C ATOM 0 H PHE A 65 16.588 32.333 -15.317 1.00 0.00 H new ATOM 0 HA PHE A 65 13.840 33.432 -15.595 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.680 33.426 -13.433 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.834 35.032 -14.117 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.043 32.588 -13.496 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.416 36.645 -13.154 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.894 33.227 -12.445 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.258 37.284 -12.109 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.496 35.577 -11.765 1.00 0.00 H new ATOM 568 N VAL A 66 14.428 35.064 -17.324 1.00 0.00 N ATOM 569 CA VAL A 66 14.735 36.019 -18.384 1.00 0.00 C ATOM 570 C VAL A 66 13.791 37.216 -18.309 1.00 0.00 C ATOM 571 O VAL A 66 12.575 37.057 -18.190 1.00 0.00 O ATOM 572 CB VAL A 66 14.608 35.337 -19.747 1.00 0.00 C ATOM 573 CG1 VAL A 66 14.705 36.383 -20.859 1.00 0.00 C ATOM 574 CG2 VAL A 66 15.737 34.314 -19.903 1.00 0.00 C ATOM 0 H VAL A 66 13.441 34.818 -17.250 1.00 0.00 H new ATOM 0 HA VAL A 66 15.758 36.373 -18.254 1.00 0.00 H new ATOM 0 HB VAL A 66 13.644 34.833 -19.815 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.614 35.893 -21.828 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.903 37.112 -20.744 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.668 36.891 -20.798 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.652 33.824 -20.873 1.00 0.00 H new ATOM 0 HG22 VAL A 66 16.699 34.821 -19.835 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.664 33.568 -19.112 1.00 0.00 H new ATOM 584 N ARG A 67 14.360 38.410 -18.388 1.00 0.00 N ATOM 585 CA ARG A 67 13.566 39.630 -18.337 1.00 0.00 C ATOM 586 C ARG A 67 12.559 39.573 -17.193 1.00 0.00 C ATOM 587 O ARG A 67 11.498 40.195 -17.258 1.00 0.00 O ATOM 588 CB ARG A 67 12.829 39.822 -19.663 1.00 0.00 C ATOM 589 CG ARG A 67 13.839 40.143 -20.768 1.00 0.00 C ATOM 590 CD ARG A 67 13.097 40.383 -22.085 1.00 0.00 C ATOM 591 NE ARG A 67 12.487 39.147 -22.560 1.00 0.00 N ATOM 592 CZ ARG A 67 13.219 38.192 -23.122 1.00 0.00 C ATOM 593 NH1 ARG A 67 14.507 38.353 -23.260 1.00 0.00 N ATOM 594 NH2 ARG A 67 12.651 37.094 -23.540 1.00 0.00 N1+ ATOM 0 H ARG A 67 15.364 38.561 -18.487 1.00 0.00 H new ATOM 0 HA ARG A 67 14.237 40.472 -18.166 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.272 38.920 -19.916 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.103 40.630 -19.574 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.419 41.026 -20.499 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.544 39.320 -20.881 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.329 41.143 -21.943 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.789 40.765 -22.835 1.00 0.00 H new ATOM 0 HE ARG A 67 11.481 39.013 -22.459 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.951 39.212 -22.936 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.069 37.620 -23.692 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.644 36.969 -23.435 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.214 36.361 -23.972 1.00 0.00 H new ATOM 608 N GLY A 68 12.898 38.832 -16.144 1.00 0.00 N ATOM 609 CA GLY A 68 12.016 38.713 -14.992 1.00 0.00 C ATOM 610 C GLY A 68 10.851 37.775 -15.289 1.00 0.00 C ATOM 611 O GLY A 68 9.784 37.885 -14.683 1.00 0.00 O ATOM 0 H GLY A 68 13.770 38.309 -16.068 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.578 38.340 -14.136 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.635 39.697 -14.719 1.00 0.00 H new ATOM 615 N ARG A 69 11.057 36.853 -16.229 1.00 0.00 N ATOM 616 CA ARG A 69 10.017 35.895 -16.609 1.00 0.00 C ATOM 617 C ARG A 69 10.572 34.474 -16.613 1.00 0.00 C ATOM 618 O ARG A 69 11.626 34.208 -17.190 1.00 0.00 O ATOM 619 CB ARG A 69 9.478 36.239 -17.996 1.00 0.00 C ATOM 620 CG ARG A 69 8.328 35.295 -18.344 1.00 0.00 C ATOM 621 CD ARG A 69 7.704 35.715 -19.675 1.00 0.00 C ATOM 622 NE ARG A 69 8.676 35.572 -20.754 1.00 0.00 N ATOM 623 CZ ARG A 69 8.868 34.405 -21.360 1.00 0.00 C ATOM 624 NH1 ARG A 69 8.185 33.358 -20.985 1.00 0.00 N ATOM 625 NH2 ARG A 69 9.739 34.306 -22.324 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.933 36.749 -16.741 1.00 0.00 H new ATOM 0 HA ARG A 69 9.209 35.953 -15.880 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.133 37.273 -18.018 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.272 36.152 -18.738 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.693 34.270 -18.409 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.576 35.316 -17.556 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.826 35.103 -19.883 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.365 36.749 -19.616 1.00 0.00 H new ATOM 0 HE ARG A 69 9.219 36.384 -21.049 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.506 33.437 -20.228 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.331 32.461 -21.449 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.274 35.125 -22.614 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.886 33.410 -22.789 1.00 0.00 H new ATOM 639 N THR A 70 9.850 33.564 -15.964 1.00 0.00 N ATOM 640 CA THR A 70 10.277 32.173 -15.899 1.00 0.00 C ATOM 641 C THR A 70 10.250 31.546 -17.289 1.00 0.00 C ATOM 642 O THR A 70 9.249 31.640 -18.001 1.00 0.00 O ATOM 643 CB THR A 70 9.351 31.388 -14.969 1.00 0.00 C ATOM 644 OG1 THR A 70 9.196 32.098 -13.749 1.00 0.00 O ATOM 645 CG2 THR A 70 9.956 30.013 -14.686 1.00 0.00 C ATOM 0 H THR A 70 8.975 33.764 -15.480 1.00 0.00 H new ATOM 0 HA THR A 70 11.296 32.139 -15.512 1.00 0.00 H new ATOM 0 HB THR A 70 8.378 31.264 -15.445 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.602 31.597 -13.152 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.295 29.454 -14.023 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.076 29.468 -15.623 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.929 30.135 -14.210 1.00 0.00 H new ATOM 653 N VAL A 71 11.354 30.908 -17.670 1.00 0.00 N ATOM 654 CA VAL A 71 11.456 30.266 -18.984 1.00 0.00 C ATOM 655 C VAL A 71 12.048 28.866 -18.856 1.00 0.00 C ATOM 656 O VAL A 71 13.031 28.658 -18.146 1.00 0.00 O ATOM 657 CB VAL A 71 12.328 31.120 -19.911 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.545 32.356 -20.352 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.590 31.562 -19.165 1.00 0.00 C ATOM 0 H VAL A 71 12.190 30.820 -17.092 1.00 0.00 H new ATOM 0 HA VAL A 71 10.455 30.179 -19.407 1.00 0.00 H new ATOM 0 HB VAL A 71 12.608 30.532 -20.785 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.165 32.963 -21.011 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.645 32.046 -20.884 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.265 32.941 -19.476 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.209 32.169 -19.825 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.309 32.149 -18.290 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.152 30.683 -18.848 1.00 0.00 H new ATOM 669 N SER A 72 11.444 27.904 -19.545 1.00 0.00 N ATOM 670 CA SER A 72 11.928 26.529 -19.496 1.00 0.00 C ATOM 671 C SER A 72 13.107 26.349 -20.444 1.00 0.00 C ATOM 672 O SER A 72 13.057 26.777 -21.598 1.00 0.00 O ATOM 673 CB SER A 72 10.810 25.566 -19.877 1.00 0.00 C ATOM 674 OG SER A 72 10.450 25.778 -21.233 1.00 0.00 O ATOM 0 H SER A 72 10.627 28.048 -20.138 1.00 0.00 H new ATOM 0 HA SER A 72 12.255 26.313 -18.479 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.136 24.536 -19.732 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.946 25.720 -19.231 1.00 0.00 H new ATOM 0 HG SER A 72 11.187 26.223 -21.701 1.00 0.00 H new ATOM 680 N VAL A 73 14.168 25.710 -19.959 1.00 0.00 N ATOM 681 CA VAL A 73 15.345 25.488 -20.787 1.00 0.00 C ATOM 682 C VAL A 73 15.093 24.347 -21.773 1.00 0.00 C ATOM 683 O VAL A 73 14.778 23.228 -21.370 1.00 0.00 O ATOM 684 CB VAL A 73 16.558 25.156 -19.911 1.00 0.00 C ATOM 685 CG1 VAL A 73 16.885 26.342 -18.991 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.258 23.912 -19.072 1.00 0.00 C ATOM 0 H VAL A 73 14.236 25.342 -19.010 1.00 0.00 H new ATOM 0 HA VAL A 73 15.550 26.401 -21.345 1.00 0.00 H new ATOM 0 HB VAL A 73 17.419 24.961 -20.551 1.00 0.00 H new ATOM 0 HG11 VAL A 73 17.748 26.096 -18.373 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.110 27.220 -19.596 1.00 0.00 H new ATOM 0 HG13 VAL A 73 16.028 26.553 -18.351 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.121 23.676 -18.449 1.00 0.00 H new ATOM 0 HG22 VAL A 73 15.393 24.102 -18.437 1.00 0.00 H new ATOM 0 HG23 VAL A 73 16.046 23.071 -19.732 1.00 0.00 H new ATOM 696 N SER A 74 15.221 24.638 -23.064 1.00 0.00 N ATOM 697 CA SER A 74 14.994 23.624 -24.090 1.00 0.00 C ATOM 698 C SER A 74 16.129 22.605 -24.099 1.00 0.00 C ATOM 699 O SER A 74 16.219 21.770 -24.999 1.00 0.00 O ATOM 700 CB SER A 74 14.889 24.283 -25.465 1.00 0.00 C ATOM 701 OG SER A 74 14.631 23.285 -26.444 1.00 0.00 O ATOM 0 H SER A 74 15.478 25.558 -23.423 1.00 0.00 H new ATOM 0 HA SER A 74 14.060 23.110 -23.862 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.090 25.025 -25.466 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.814 24.810 -25.700 1.00 0.00 H new ATOM 0 HG SER A 74 15.156 22.483 -26.240 1.00 0.00 H new ATOM 707 N ASP A 75 16.998 22.682 -23.091 1.00 0.00 N ATOM 708 CA ASP A 75 18.130 21.763 -22.991 1.00 0.00 C ATOM 709 C ASP A 75 18.493 21.505 -21.530 1.00 0.00 C ATOM 710 O ASP A 75 19.558 21.915 -21.063 1.00 0.00 O ATOM 711 CB ASP A 75 19.337 22.350 -23.726 1.00 0.00 C ATOM 712 CG ASP A 75 19.649 23.743 -23.187 1.00 0.00 C ATOM 713 OD1 ASP A 75 18.713 24.445 -22.839 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 20.817 24.085 -23.130 1.00 0.00 O ATOM 0 H ASP A 75 16.940 23.367 -22.337 1.00 0.00 H new ATOM 0 HA ASP A 75 17.847 20.815 -23.449 1.00 0.00 H new ATOM 0 HB2 ASP A 75 20.202 21.700 -23.599 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.132 22.402 -24.795 1.00 0.00 H new ATOM 719 N PRO A 76 17.633 20.829 -20.807 1.00 0.00 N ATOM 720 CA PRO A 76 17.863 20.497 -19.376 1.00 0.00 C ATOM 721 C PRO A 76 18.782 19.289 -19.226 1.00 0.00 C ATOM 722 O PRO A 76 18.320 18.150 -19.167 1.00 0.00 O ATOM 723 CB PRO A 76 16.455 20.197 -18.842 1.00 0.00 C ATOM 724 CG PRO A 76 15.678 19.708 -20.032 1.00 0.00 C ATOM 725 CD PRO A 76 16.346 20.304 -21.285 1.00 0.00 C ATOM 0 HA PRO A 76 18.357 21.302 -18.832 1.00 0.00 H new ATOM 0 HB2 PRO A 76 16.485 19.444 -18.055 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.998 21.089 -18.413 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.683 18.619 -20.074 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.636 20.020 -19.966 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.489 19.547 -22.056 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.734 21.093 -21.723 1.00 0.00 H new ATOM 733 N LYS A 77 20.086 19.546 -19.166 1.00 0.00 N ATOM 734 CA LYS A 77 21.070 18.476 -19.024 1.00 0.00 C ATOM 735 C LYS A 77 21.456 18.300 -17.559 1.00 0.00 C ATOM 736 O LYS A 77 22.377 18.949 -17.066 1.00 0.00 O ATOM 737 CB LYS A 77 22.319 18.805 -19.849 1.00 0.00 C ATOM 738 CG LYS A 77 22.622 20.304 -19.754 1.00 0.00 C ATOM 739 CD LYS A 77 23.911 20.613 -20.518 1.00 0.00 C ATOM 740 CE LYS A 77 25.109 19.885 -19.881 1.00 0.00 C ATOM 741 NZ LYS A 77 25.311 18.585 -20.578 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.485 20.483 -19.213 1.00 0.00 H new ATOM 0 HA LYS A 77 20.630 17.547 -19.387 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.169 18.229 -19.484 1.00 0.00 H new ATOM 0 HB3 LYS A 77 22.164 18.521 -20.890 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.794 20.880 -20.168 1.00 0.00 H new ATOM 0 HG3 LYS A 77 22.726 20.600 -18.710 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.805 20.307 -21.559 1.00 0.00 H new ATOM 0 HD3 LYS A 77 24.091 21.688 -20.518 1.00 0.00 H new ATOM 0 HE2 LYS A 77 26.007 20.498 -19.959 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.928 19.719 -18.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 25.266 17.810 -19.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 24.567 18.455 -21.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 26.242 18.581 -21.042 1.00 0.00 H new ATOM 755 N VAL A 78 20.746 17.411 -16.873 1.00 0.00 N ATOM 756 CA VAL A 78 21.014 17.136 -15.464 1.00 0.00 C ATOM 757 C VAL A 78 20.897 15.640 -15.191 1.00 0.00 C ATOM 758 O VAL A 78 20.281 14.903 -15.961 1.00 0.00 O ATOM 759 CB VAL A 78 20.023 17.915 -14.584 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.468 19.379 -14.481 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.620 17.854 -15.207 1.00 0.00 C ATOM 0 H VAL A 78 19.979 16.867 -17.269 1.00 0.00 H new ATOM 0 HA VAL A 78 22.028 17.456 -15.225 1.00 0.00 H new ATOM 0 HB VAL A 78 19.999 17.469 -13.590 1.00 0.00 H new ATOM 0 HG11 VAL A 78 19.765 19.930 -13.857 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.462 19.427 -14.036 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.494 19.822 -15.476 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.920 18.407 -14.581 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.644 18.297 -16.203 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.299 16.815 -15.280 1.00 0.00 H new ATOM 771 N ILE A 79 21.497 15.201 -14.088 1.00 0.00 N ATOM 772 CA ILE A 79 21.469 13.792 -13.701 1.00 0.00 C ATOM 773 C ILE A 79 20.486 13.575 -12.555 1.00 0.00 C ATOM 774 O ILE A 79 20.168 14.505 -11.813 1.00 0.00 O ATOM 775 CB ILE A 79 22.866 13.347 -13.265 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.836 13.485 -14.438 1.00 0.00 C ATOM 777 CG2 ILE A 79 22.811 11.884 -12.820 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.272 13.298 -13.942 1.00 0.00 C ATOM 0 H ILE A 79 22.010 15.802 -13.444 1.00 0.00 H new ATOM 0 HA ILE A 79 21.149 13.201 -14.559 1.00 0.00 H new ATOM 0 HB ILE A 79 23.207 13.971 -12.439 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.605 12.743 -15.203 1.00 0.00 H new ATOM 0 HG13 ILE A 79 23.725 14.466 -14.901 1.00 0.00 H new ATOM 0 HG21 ILE A 79 23.804 11.561 -12.508 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.118 11.784 -11.985 1.00 0.00 H new ATOM 0 HG23 ILE A 79 22.472 11.264 -13.650 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.962 13.397 -14.780 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.500 14.056 -13.193 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.378 12.308 -13.499 1.00 0.00 H new ATOM 790 N CYS A 80 20.006 12.341 -12.419 1.00 0.00 N ATOM 791 CA CYS A 80 19.053 12.006 -11.360 1.00 0.00 C ATOM 792 C CYS A 80 19.773 11.744 -10.041 1.00 0.00 C ATOM 793 O CYS A 80 20.996 11.632 -9.998 1.00 0.00 O ATOM 794 CB CYS A 80 18.238 10.769 -11.753 1.00 0.00 C ATOM 795 SG CYS A 80 19.277 9.293 -11.666 1.00 0.00 S ATOM 0 H CYS A 80 20.258 11.560 -13.024 1.00 0.00 H new ATOM 0 HA CYS A 80 18.383 12.856 -11.229 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.382 10.661 -11.088 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.844 10.888 -12.762 1.00 0.00 H new ATOM 0 HG CYS A 80 18.877 8.428 -12.550 1.00 0.00 H new ATOM 800 N ARG A 81 19.007 11.641 -8.964 1.00 0.00 N ATOM 801 CA ARG A 81 19.586 11.385 -7.653 1.00 0.00 C ATOM 802 C ARG A 81 20.012 9.926 -7.529 1.00 0.00 C ATOM 803 O ARG A 81 20.873 9.589 -6.724 1.00 0.00 O ATOM 804 CB ARG A 81 18.566 11.719 -6.570 1.00 0.00 C ATOM 805 CG ARG A 81 18.310 13.225 -6.568 1.00 0.00 C ATOM 806 CD ARG A 81 17.128 13.538 -5.650 1.00 0.00 C ATOM 807 NE ARG A 81 17.446 13.185 -4.271 1.00 0.00 N ATOM 808 CZ ARG A 81 16.516 13.229 -3.323 1.00 0.00 C ATOM 809 NH1 ARG A 81 15.297 13.592 -3.619 1.00 0.00 N ATOM 810 NH2 ARG A 81 16.822 12.910 -2.096 1.00 0.00 N1+ ATOM 0 H ARG A 81 17.991 11.730 -8.971 1.00 0.00 H new ATOM 0 HA ARG A 81 20.468 12.014 -7.531 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.636 11.180 -6.751 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.935 11.399 -5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.199 13.756 -6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.100 13.571 -7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.882 14.598 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.248 12.986 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 81 18.396 12.900 -4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.058 13.842 -4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.584 13.625 -2.891 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.774 12.627 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.109 12.943 -1.367 1.00 0.00 H new ATOM 824 N THR A 82 19.395 9.065 -8.329 1.00 0.00 N ATOM 825 CA THR A 82 19.717 7.640 -8.306 1.00 0.00 C ATOM 826 C THR A 82 21.118 7.390 -8.862 1.00 0.00 C ATOM 827 O THR A 82 21.853 6.540 -8.362 1.00 0.00 O ATOM 828 CB THR A 82 18.689 6.851 -9.116 1.00 0.00 C ATOM 829 OG1 THR A 82 17.382 7.237 -8.715 1.00 0.00 O ATOM 830 CG2 THR A 82 18.882 5.354 -8.863 1.00 0.00 C ATOM 0 H THR A 82 18.672 9.325 -9.000 1.00 0.00 H new ATOM 0 HA THR A 82 19.690 7.303 -7.270 1.00 0.00 H new ATOM 0 HB THR A 82 18.821 7.058 -10.178 1.00 0.00 H new ATOM 0 HG1 THR A 82 16.890 6.450 -8.402 1.00 0.00 H new ATOM 0 HG21 THR A 82 18.149 4.790 -9.440 1.00 0.00 H new ATOM 0 HG22 THR A 82 19.887 5.060 -9.166 1.00 0.00 H new ATOM 0 HG23 THR A 82 18.747 5.144 -7.802 1.00 0.00 H new ATOM 838 N CYS A 83 21.467 8.129 -9.912 1.00 0.00 N ATOM 839 CA CYS A 83 22.774 7.984 -10.548 1.00 0.00 C ATOM 840 C CYS A 83 23.862 8.697 -9.748 1.00 0.00 C ATOM 841 O CYS A 83 25.028 8.684 -10.138 1.00 0.00 O ATOM 842 CB CYS A 83 22.738 8.549 -11.969 1.00 0.00 C ATOM 843 SG CYS A 83 21.826 7.423 -13.058 1.00 0.00 S ATOM 0 H CYS A 83 20.865 8.833 -10.340 1.00 0.00 H new ATOM 0 HA CYS A 83 23.008 6.920 -10.582 1.00 0.00 H new ATOM 0 HB2 CYS A 83 22.264 9.531 -11.967 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.753 8.686 -12.341 1.00 0.00 H new ATOM 0 HG CYS A 83 20.550 7.640 -12.936 1.00 0.00 H new ATOM 947 N SER A 90 36.621 5.133 -17.838 1.00 0.00 N ATOM 948 CA SER A 90 37.727 4.904 -18.767 1.00 0.00 C ATOM 949 C SER A 90 37.976 6.148 -19.613 1.00 0.00 C ATOM 950 O SER A 90 37.092 6.991 -19.772 1.00 0.00 O ATOM 951 CB SER A 90 37.409 3.718 -19.676 1.00 0.00 C ATOM 952 OG SER A 90 37.431 2.523 -18.909 1.00 0.00 O ATOM 0 HA SER A 90 38.625 4.684 -18.190 1.00 0.00 H new ATOM 0 HB2 SER A 90 36.430 3.850 -20.137 1.00 0.00 H new ATOM 0 HB3 SER A 90 38.137 3.659 -20.485 1.00 0.00 H new ATOM 0 HG SER A 90 37.036 2.692 -18.028 1.00 0.00 H new ATOM 958 N ILE A 91 39.190 6.256 -20.150 1.00 0.00 N ATOM 959 CA ILE A 91 39.565 7.402 -20.983 1.00 0.00 C ATOM 960 C ILE A 91 40.118 6.933 -22.326 1.00 0.00 C ATOM 961 O ILE A 91 40.969 6.046 -22.382 1.00 0.00 O ATOM 962 CB ILE A 91 40.615 8.244 -20.263 1.00 0.00 C ATOM 963 CG1 ILE A 91 40.016 8.788 -18.967 1.00 0.00 C ATOM 964 CG2 ILE A 91 41.033 9.415 -21.156 1.00 0.00 C ATOM 965 CD1 ILE A 91 41.126 9.392 -18.112 1.00 0.00 C ATOM 0 H ILE A 91 39.931 5.566 -20.025 1.00 0.00 H new ATOM 0 HA ILE A 91 38.675 8.005 -21.163 1.00 0.00 H new ATOM 0 HB ILE A 91 41.487 7.629 -20.040 1.00 0.00 H new ATOM 0 HG12 ILE A 91 39.262 9.543 -19.190 1.00 0.00 H new ATOM 0 HG13 ILE A 91 39.515 7.989 -18.421 1.00 0.00 H new ATOM 0 HG21 ILE A 91 41.783 10.016 -20.641 1.00 0.00 H new ATOM 0 HG22 ILE A 91 41.452 9.032 -22.086 1.00 0.00 H new ATOM 0 HG23 ILE A 91 40.163 10.033 -21.377 1.00 0.00 H new ATOM 0 HD11 ILE A 91 40.702 9.781 -17.186 1.00 0.00 H new ATOM 0 HD12 ILE A 91 41.864 8.624 -17.878 1.00 0.00 H new ATOM 0 HD13 ILE A 91 41.607 10.203 -18.660 1.00 0.00 H new ATOM 977 N TRP A 92 39.629 7.540 -23.403 1.00 0.00 N ATOM 978 CA TRP A 92 40.083 7.183 -24.744 1.00 0.00 C ATOM 979 C TRP A 92 41.396 7.890 -25.064 1.00 0.00 C ATOM 980 O TRP A 92 41.481 9.116 -24.997 1.00 0.00 O ATOM 981 CB TRP A 92 39.026 7.574 -25.780 1.00 0.00 C ATOM 982 CG TRP A 92 39.437 7.068 -27.128 1.00 0.00 C ATOM 983 CD1 TRP A 92 40.466 7.552 -27.865 1.00 0.00 C ATOM 984 CD2 TRP A 92 38.847 5.993 -27.913 1.00 0.00 C ATOM 985 NE1 TRP A 92 40.543 6.845 -29.048 1.00 0.00 N ATOM 986 CE2 TRP A 92 39.567 5.872 -29.126 1.00 0.00 C ATOM 987 CE3 TRP A 92 37.768 5.123 -27.694 1.00 0.00 C ATOM 988 CZ2 TRP A 92 39.229 4.920 -30.084 1.00 0.00 C ATOM 989 CZ3 TRP A 92 37.423 4.160 -28.657 1.00 0.00 C ATOM 990 CH2 TRP A 92 38.152 4.059 -29.850 1.00 0.00 C ATOM 0 H TRP A 92 38.924 8.276 -23.375 1.00 0.00 H new ATOM 0 HA TRP A 92 40.240 6.105 -24.780 1.00 0.00 H new ATOM 0 HB2 TRP A 92 38.058 7.157 -25.503 1.00 0.00 H new ATOM 0 HB3 TRP A 92 38.910 8.658 -25.806 1.00 0.00 H new ATOM 0 HD1 TRP A 92 41.120 8.360 -27.574 1.00 0.00 H new ATOM 0 HE1 TRP A 92 41.236 7.020 -29.775 1.00 0.00 H new ATOM 0 HE3 TRP A 92 37.199 5.194 -26.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 39.794 4.847 -31.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 36.592 3.494 -28.477 1.00 0.00 H new ATOM 0 HH2 TRP A 92 37.882 3.317 -30.587 1.00 0.00 H new ATOM 1001 N CYS A 93 42.416 7.106 -25.411 1.00 0.00 N ATOM 1002 CA CYS A 93 43.728 7.660 -25.740 1.00 0.00 C ATOM 1003 C CYS A 93 43.872 7.933 -27.229 1.00 0.00 C ATOM 1004 O CYS A 93 43.563 7.079 -28.059 1.00 0.00 O ATOM 1005 CB CYS A 93 44.829 6.690 -25.340 1.00 0.00 C ATOM 1006 SG CYS A 93 46.427 7.453 -25.714 1.00 0.00 S ATOM 0 H CYS A 93 42.359 6.089 -25.471 1.00 0.00 H new ATOM 0 HA CYS A 93 43.816 8.597 -25.190 1.00 0.00 H new ATOM 0 HB2 CYS A 93 44.760 6.455 -24.278 1.00 0.00 H new ATOM 0 HB3 CYS A 93 44.722 5.750 -25.882 1.00 0.00 H new ATOM 0 HG CYS A 93 47.307 6.525 -25.946 1.00 0.00 H new ATOM 1011 N THR A 94 44.365 9.121 -27.562 1.00 0.00 N ATOM 1012 CA THR A 94 44.574 9.490 -28.956 1.00 0.00 C ATOM 1013 C THR A 94 45.993 9.120 -29.384 1.00 0.00 C ATOM 1014 O THR A 94 46.327 9.177 -30.567 1.00 0.00 O ATOM 1015 CB THR A 94 44.359 10.993 -29.138 1.00 0.00 C ATOM 1016 OG1 THR A 94 45.551 11.686 -28.787 1.00 0.00 O ATOM 1017 CG2 THR A 94 43.213 11.457 -28.238 1.00 0.00 C ATOM 0 H THR A 94 44.626 9.841 -26.889 1.00 0.00 H new ATOM 0 HA THR A 94 43.858 8.949 -29.575 1.00 0.00 H new ATOM 0 HB THR A 94 44.109 11.203 -30.178 1.00 0.00 H new ATOM 0 HG1 THR A 94 45.327 12.459 -28.228 1.00 0.00 H new ATOM 0 HG21 THR A 94 43.060 12.528 -28.368 1.00 0.00 H new ATOM 0 HG22 THR A 94 42.301 10.925 -28.507 1.00 0.00 H new ATOM 0 HG23 THR A 94 43.461 11.249 -27.197 1.00 0.00 H new ATOM 1025 N ALA A 95 46.828 8.736 -28.411 1.00 0.00 N ATOM 1026 CA ALA A 95 48.207 8.351 -28.701 1.00 0.00 C ATOM 1027 C ALA A 95 48.309 6.841 -28.906 1.00 0.00 C ATOM 1028 O ALA A 95 49.311 6.344 -29.422 1.00 0.00 O ATOM 1029 CB ALA A 95 49.120 8.772 -27.544 1.00 0.00 C ATOM 0 H ALA A 95 46.572 8.685 -27.425 1.00 0.00 H new ATOM 0 HA ALA A 95 48.521 8.854 -29.616 1.00 0.00 H new ATOM 0 HB1 ALA A 95 50.147 8.482 -27.767 1.00 0.00 H new ATOM 0 HB2 ALA A 95 49.068 9.853 -27.415 1.00 0.00 H new ATOM 0 HB3 ALA A 95 48.795 8.281 -26.627 1.00 0.00 H new ATOM 1035 N CYS A 96 47.264 6.114 -28.502 1.00 0.00 N ATOM 1036 CA CYS A 96 47.233 4.655 -28.645 1.00 0.00 C ATOM 1037 C CYS A 96 45.998 4.227 -29.433 1.00 0.00 C ATOM 1038 O CYS A 96 45.876 3.069 -29.834 1.00 0.00 O ATOM 1039 CB CYS A 96 47.212 3.992 -27.263 1.00 0.00 C ATOM 1040 SG CYS A 96 48.680 4.485 -26.325 1.00 0.00 S ATOM 0 H CYS A 96 46.428 6.511 -28.073 1.00 0.00 H new ATOM 0 HA CYS A 96 48.127 4.340 -29.183 1.00 0.00 H new ATOM 0 HB2 CYS A 96 46.310 4.282 -26.724 1.00 0.00 H new ATOM 0 HB3 CYS A 96 47.185 2.908 -27.370 1.00 0.00 H new ATOM 0 HG CYS A 96 48.330 4.829 -25.121 1.00 0.00 H new ATOM 1045 N GLN A 97 45.085 5.170 -29.651 1.00 0.00 N ATOM 1046 CA GLN A 97 43.861 4.882 -30.394 1.00 0.00 C ATOM 1047 C GLN A 97 43.114 3.715 -29.764 1.00 0.00 C ATOM 1048 O GLN A 97 42.550 2.875 -30.467 1.00 0.00 O ATOM 1049 CB GLN A 97 44.198 4.546 -31.848 1.00 0.00 C ATOM 1050 CG GLN A 97 44.708 5.800 -32.555 1.00 0.00 C ATOM 1051 CD GLN A 97 45.132 5.460 -33.979 1.00 0.00 C ATOM 1052 OE1 GLN A 97 45.651 4.372 -34.230 1.00 0.00 O ATOM 1053 NE2 GLN A 97 44.940 6.330 -34.932 1.00 0.00 N ATOM 0 H GLN A 97 45.168 6.133 -29.327 1.00 0.00 H new ATOM 0 HA GLN A 97 43.225 5.767 -30.363 1.00 0.00 H new ATOM 0 HB2 GLN A 97 44.954 3.762 -31.885 1.00 0.00 H new ATOM 0 HB3 GLN A 97 43.315 4.162 -32.358 1.00 0.00 H new ATOM 0 HG2 GLN A 97 43.928 6.561 -32.571 1.00 0.00 H new ATOM 0 HG3 GLN A 97 45.551 6.219 -32.006 1.00 0.00 H new ATOM 0 HE21 GLN A 97 44.510 7.231 -34.721 1.00 0.00 H new ATOM 0 HE22 GLN A 97 45.220 6.110 -35.888 1.00 0.00 H new ATOM 1062 N GLN A 98 43.113 3.666 -28.434 1.00 0.00 N ATOM 1063 CA GLN A 98 42.431 2.595 -27.710 1.00 0.00 C ATOM 1064 C GLN A 98 41.865 3.110 -26.392 1.00 0.00 C ATOM 1065 O GLN A 98 42.263 4.167 -25.902 1.00 0.00 O ATOM 1066 CB GLN A 98 43.398 1.439 -27.436 1.00 0.00 C ATOM 1067 CG GLN A 98 43.725 0.713 -28.744 1.00 0.00 C ATOM 1068 CD GLN A 98 44.636 -0.480 -28.464 1.00 0.00 C ATOM 1069 OE1 GLN A 98 44.373 -1.261 -27.550 1.00 0.00 O ATOM 1070 NE2 GLN A 98 45.693 -0.669 -29.204 1.00 0.00 N ATOM 0 H GLN A 98 43.575 4.352 -27.837 1.00 0.00 H new ATOM 0 HA GLN A 98 41.609 2.237 -28.330 1.00 0.00 H new ATOM 0 HB2 GLN A 98 44.313 1.819 -26.982 1.00 0.00 H new ATOM 0 HB3 GLN A 98 42.954 0.743 -26.724 1.00 0.00 H new ATOM 0 HG2 GLN A 98 42.805 0.375 -29.222 1.00 0.00 H new ATOM 0 HG3 GLN A 98 44.212 1.398 -29.438 1.00 0.00 H new ATOM 0 HE21 GLN A 98 45.908 -0.020 -29.961 1.00 0.00 H new ATOM 0 HE22 GLN A 98 46.304 -1.466 -29.026 1.00 0.00 H new ATOM 1079 N THR A 99 40.928 2.353 -25.827 1.00 0.00 N ATOM 1080 CA THR A 99 40.301 2.731 -24.563 1.00 0.00 C ATOM 1081 C THR A 99 41.132 2.238 -23.386 1.00 0.00 C ATOM 1082 O THR A 99 41.710 1.154 -23.434 1.00 0.00 O ATOM 1083 CB THR A 99 38.894 2.143 -24.473 1.00 0.00 C ATOM 1084 OG1 THR A 99 38.095 2.665 -25.525 1.00 0.00 O ATOM 1085 CG2 THR A 99 38.276 2.517 -23.125 1.00 0.00 C ATOM 0 H THR A 99 40.587 1.477 -26.223 1.00 0.00 H new ATOM 0 HA THR A 99 40.240 3.819 -24.525 1.00 0.00 H new ATOM 0 HB THR A 99 38.944 1.058 -24.562 1.00 0.00 H new ATOM 0 HG1 THR A 99 38.489 3.501 -25.851 1.00 0.00 H new ATOM 0 HG21 THR A 99 37.272 2.099 -23.057 1.00 0.00 H new ATOM 0 HG22 THR A 99 38.891 2.117 -22.319 1.00 0.00 H new ATOM 0 HG23 THR A 99 38.224 3.602 -23.037 1.00 0.00 H new ATOM 1093 N LYS A 100 41.188 3.045 -22.328 1.00 0.00 N ATOM 1094 CA LYS A 100 41.955 2.690 -21.133 1.00 0.00 C ATOM 1095 C LYS A 100 41.184 3.031 -19.869 1.00 0.00 C ATOM 1096 O LYS A 100 40.454 4.020 -19.815 1.00 0.00 O ATOM 1097 CB LYS A 100 43.289 3.447 -21.139 1.00 0.00 C ATOM 1098 CG LYS A 100 44.283 2.775 -22.097 1.00 0.00 C ATOM 1099 CD LYS A 100 45.001 1.611 -21.396 1.00 0.00 C ATOM 1100 CE LYS A 100 45.956 0.935 -22.374 1.00 0.00 C ATOM 1101 NZ LYS A 100 46.667 -0.171 -21.674 1.00 0.00 N1+ ATOM 0 H LYS A 100 40.714 3.946 -22.273 1.00 0.00 H new ATOM 0 HA LYS A 100 42.136 1.615 -21.146 1.00 0.00 H new ATOM 0 HB2 LYS A 100 43.126 4.481 -21.441 1.00 0.00 H new ATOM 0 HB3 LYS A 100 43.705 3.471 -20.132 1.00 0.00 H new ATOM 0 HG2 LYS A 100 43.757 2.408 -22.978 1.00 0.00 H new ATOM 0 HG3 LYS A 100 45.014 3.505 -22.444 1.00 0.00 H new ATOM 0 HD2 LYS A 100 45.552 1.979 -20.530 1.00 0.00 H new ATOM 0 HD3 LYS A 100 44.272 0.890 -21.027 1.00 0.00 H new ATOM 0 HE2 LYS A 100 45.405 0.546 -23.230 1.00 0.00 H new ATOM 0 HE3 LYS A 100 46.674 1.659 -22.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 47.685 -0.115 -21.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 46.517 -0.086 -20.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 46.296 -1.085 -22.003 1.00 0.00 H new ATOM 1115 N GLY A 101 41.359 2.205 -18.848 1.00 0.00 N ATOM 1116 CA GLY A 101 40.681 2.431 -17.584 1.00 0.00 C ATOM 1117 C GLY A 101 41.207 3.687 -16.907 1.00 0.00 C ATOM 1118 O GLY A 101 42.259 4.213 -17.273 1.00 0.00 O ATOM 0 H GLY A 101 41.959 1.380 -18.870 1.00 0.00 H new ATOM 0 HA2 GLY A 101 39.608 2.525 -17.753 1.00 0.00 H new ATOM 0 HA3 GLY A 101 40.826 1.572 -16.929 1.00 0.00 H new ATOM 1122 N ILE A 102 40.466 4.157 -15.918 1.00 0.00 N ATOM 1123 CA ILE A 102 40.856 5.352 -15.178 1.00 0.00 C ATOM 1124 C ILE A 102 42.024 5.055 -14.246 1.00 0.00 C ATOM 1125 O ILE A 102 42.765 5.961 -13.860 1.00 0.00 O ATOM 1126 CB ILE A 102 39.672 5.887 -14.372 1.00 0.00 C ATOM 1127 CG1 ILE A 102 40.067 7.211 -13.707 1.00 0.00 C ATOM 1128 CG2 ILE A 102 39.282 4.872 -13.299 1.00 0.00 C ATOM 1129 CD1 ILE A 102 38.809 7.925 -13.203 1.00 0.00 C ATOM 0 H ILE A 102 39.592 3.733 -15.607 1.00 0.00 H new ATOM 0 HA ILE A 102 41.169 6.109 -15.897 1.00 0.00 H new ATOM 0 HB ILE A 102 38.824 6.052 -15.037 1.00 0.00 H new ATOM 0 HG12 ILE A 102 40.749 7.024 -12.877 1.00 0.00 H new ATOM 0 HG13 ILE A 102 40.597 7.844 -14.419 1.00 0.00 H new ATOM 0 HG21 ILE A 102 38.438 5.255 -12.725 1.00 0.00 H new ATOM 0 HG22 ILE A 102 39.002 3.931 -13.773 1.00 0.00 H new ATOM 0 HG23 ILE A 102 40.128 4.705 -12.632 1.00 0.00 H new ATOM 0 HD11 ILE A 102 39.090 8.866 -12.730 1.00 0.00 H new ATOM 0 HD12 ILE A 102 38.143 8.125 -14.042 1.00 0.00 H new ATOM 0 HD13 ILE A 102 38.298 7.293 -12.477 1.00 0.00 H new ATOM 1141 N ASN A 103 42.183 3.787 -13.881 1.00 0.00 N ATOM 1142 CA ASN A 103 43.265 3.388 -12.986 1.00 0.00 C ATOM 1143 C ASN A 103 44.631 3.601 -13.642 1.00 0.00 C ATOM 1144 O ASN A 103 45.574 4.061 -12.998 1.00 0.00 O ATOM 1145 CB ASN A 103 43.106 1.914 -12.614 1.00 0.00 C ATOM 1146 CG ASN A 103 41.900 1.740 -11.698 1.00 0.00 C ATOM 1147 OD1 ASN A 103 41.420 2.709 -11.109 1.00 0.00 O ATOM 1148 ND2 ASN A 103 41.378 0.555 -11.540 1.00 0.00 N ATOM 0 H ASN A 103 41.582 3.023 -14.188 1.00 0.00 H new ATOM 0 HA ASN A 103 43.212 4.007 -12.090 1.00 0.00 H new ATOM 0 HB2 ASN A 103 42.980 1.314 -13.515 1.00 0.00 H new ATOM 0 HB3 ASN A 103 44.007 1.556 -12.116 1.00 0.00 H new ATOM 0 HD21 ASN A 103 40.571 0.430 -10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 103 41.776 -0.247 -12.028 1.00 0.00 H new ATOM 1155 N GLU A 104 44.731 3.255 -14.924 1.00 0.00 N ATOM 1156 CA GLU A 104 45.986 3.403 -15.662 1.00 0.00 C ATOM 1157 C GLU A 104 46.140 4.823 -16.184 1.00 0.00 C ATOM 1158 O GLU A 104 46.972 5.089 -17.052 1.00 0.00 O ATOM 1159 CB GLU A 104 46.020 2.421 -16.834 1.00 0.00 C ATOM 1160 CG GLU A 104 46.104 0.991 -16.299 1.00 0.00 C ATOM 1161 CD GLU A 104 46.055 0.001 -17.456 1.00 0.00 C ATOM 1162 OE1 GLU A 104 45.988 0.447 -18.590 1.00 0.00 O1- ATOM 1163 OE2 GLU A 104 46.086 -1.190 -17.193 1.00 0.00 O ATOM 0 H GLU A 104 43.961 2.871 -15.473 1.00 0.00 H new ATOM 0 HA GLU A 104 46.811 3.189 -14.982 1.00 0.00 H new ATOM 0 HB2 GLU A 104 45.127 2.539 -17.447 1.00 0.00 H new ATOM 0 HB3 GLU A 104 46.877 2.632 -17.474 1.00 0.00 H new ATOM 0 HG2 GLU A 104 47.027 0.858 -15.734 1.00 0.00 H new ATOM 0 HG3 GLU A 104 45.280 0.802 -15.612 1.00 0.00 H new ATOM 1170 N PHE A 105 45.328 5.731 -15.652 1.00 0.00 N ATOM 1171 CA PHE A 105 45.363 7.134 -16.064 1.00 0.00 C ATOM 1172 C PHE A 105 45.487 8.050 -14.849 1.00 0.00 C ATOM 1173 O PHE A 105 44.852 7.833 -13.817 1.00 0.00 O ATOM 1174 CB PHE A 105 44.079 7.473 -16.860 1.00 0.00 C ATOM 1175 CG PHE A 105 44.342 7.382 -18.347 1.00 0.00 C ATOM 1176 CD1 PHE A 105 44.688 6.158 -18.927 1.00 0.00 C ATOM 1177 CD2 PHE A 105 44.263 8.534 -19.140 1.00 0.00 C ATOM 1178 CE1 PHE A 105 44.954 6.088 -20.297 1.00 0.00 C ATOM 1179 CE2 PHE A 105 44.525 8.460 -20.505 1.00 0.00 C ATOM 1180 CZ PHE A 105 44.875 7.240 -21.083 1.00 0.00 C ATOM 0 H PHE A 105 44.635 5.522 -14.933 1.00 0.00 H new ATOM 0 HA PHE A 105 46.234 7.292 -16.700 1.00 0.00 H new ATOM 0 HB2 PHE A 105 43.279 6.786 -16.583 1.00 0.00 H new ATOM 0 HB3 PHE A 105 43.739 8.477 -16.605 1.00 0.00 H new ATOM 0 HD1 PHE A 105 44.750 5.268 -18.318 1.00 0.00 H new ATOM 0 HD2 PHE A 105 43.999 9.480 -18.692 1.00 0.00 H new ATOM 0 HE1 PHE A 105 45.221 5.144 -20.748 1.00 0.00 H new ATOM 0 HE2 PHE A 105 44.457 9.348 -21.117 1.00 0.00 H new ATOM 0 HZ PHE A 105 45.085 7.186 -22.141 1.00 0.00 H new ATOM 1190 N SER A 106 46.310 9.083 -14.998 1.00 0.00 N ATOM 1191 CA SER A 106 46.521 10.053 -13.928 1.00 0.00 C ATOM 1192 C SER A 106 45.464 11.156 -13.988 1.00 0.00 C ATOM 1193 O SER A 106 44.659 11.210 -14.919 1.00 0.00 O ATOM 1194 CB SER A 106 47.913 10.670 -14.044 1.00 0.00 C ATOM 1195 OG SER A 106 48.044 11.705 -13.080 1.00 0.00 O ATOM 0 H SER A 106 46.841 9.270 -15.848 1.00 0.00 H new ATOM 0 HA SER A 106 46.436 9.534 -12.973 1.00 0.00 H new ATOM 0 HB2 SER A 106 48.676 9.909 -13.884 1.00 0.00 H new ATOM 0 HB3 SER A 106 48.065 11.069 -15.047 1.00 0.00 H new ATOM 0 HG SER A 106 48.936 12.104 -13.148 1.00 0.00 H new ATOM 1201 N LYS A 107 45.484 12.033 -12.991 1.00 0.00 N ATOM 1202 CA LYS A 107 44.536 13.142 -12.928 1.00 0.00 C ATOM 1203 C LYS A 107 44.846 14.184 -14.003 1.00 0.00 C ATOM 1204 O LYS A 107 43.943 14.779 -14.590 1.00 0.00 O ATOM 1205 CB LYS A 107 44.586 13.794 -11.548 1.00 0.00 C ATOM 1206 CG LYS A 107 44.082 12.797 -10.503 1.00 0.00 C ATOM 1207 CD LYS A 107 44.149 13.437 -9.115 1.00 0.00 C ATOM 1208 CE LYS A 107 43.656 12.438 -8.068 1.00 0.00 C ATOM 1209 NZ LYS A 107 43.730 13.063 -6.716 1.00 0.00 N1+ ATOM 0 H LYS A 107 46.145 11.999 -12.215 1.00 0.00 H new ATOM 0 HA LYS A 107 43.536 12.747 -13.106 1.00 0.00 H new ATOM 0 HB2 LYS A 107 45.606 14.100 -11.314 1.00 0.00 H new ATOM 0 HB3 LYS A 107 43.972 14.694 -11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 107 43.058 12.502 -10.730 1.00 0.00 H new ATOM 0 HG3 LYS A 107 44.687 11.891 -10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 107 45.172 13.739 -8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 107 43.537 14.339 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 107 42.631 12.140 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 107 44.264 11.534 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 43.395 12.385 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 44.715 13.326 -6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 43.132 13.914 -6.694 1.00 0.00 H new ATOM 1223 N ALA A 108 46.132 14.414 -14.241 1.00 0.00 N ATOM 1224 CA ALA A 108 46.554 15.394 -15.236 1.00 0.00 C ATOM 1225 C ALA A 108 46.132 14.961 -16.637 1.00 0.00 C ATOM 1226 O ALA A 108 45.789 15.789 -17.478 1.00 0.00 O ATOM 1227 CB ALA A 108 48.071 15.567 -15.190 1.00 0.00 C ATOM 0 H ALA A 108 46.897 13.939 -13.762 1.00 0.00 H new ATOM 0 HA ALA A 108 46.072 16.344 -15.004 1.00 0.00 H new ATOM 0 HB1 ALA A 108 48.376 16.300 -15.936 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.368 15.912 -14.200 1.00 0.00 H new ATOM 0 HB3 ALA A 108 48.553 14.612 -15.401 1.00 0.00 H new ATOM 1233 N GLN A 109 46.170 13.658 -16.882 1.00 0.00 N ATOM 1234 CA GLN A 109 45.800 13.118 -18.191 1.00 0.00 C ATOM 1235 C GLN A 109 44.370 13.506 -18.562 1.00 0.00 C ATOM 1236 O GLN A 109 44.090 13.871 -19.701 1.00 0.00 O ATOM 1237 CB GLN A 109 45.919 11.594 -18.176 1.00 0.00 C ATOM 1238 CG GLN A 109 47.392 11.192 -18.099 1.00 0.00 C ATOM 1239 CD GLN A 109 47.511 9.684 -17.892 1.00 0.00 C ATOM 1240 OE1 GLN A 109 48.139 9.236 -16.932 1.00 0.00 O ATOM 1241 NE2 GLN A 109 46.933 8.870 -18.734 1.00 0.00 N ATOM 0 H GLN A 109 46.451 12.956 -16.198 1.00 0.00 H new ATOM 0 HA GLN A 109 46.479 13.538 -18.933 1.00 0.00 H new ATOM 0 HB2 GLN A 109 45.376 11.186 -17.324 1.00 0.00 H new ATOM 0 HB3 GLN A 109 45.464 11.175 -19.074 1.00 0.00 H new ATOM 0 HG2 GLN A 109 47.905 11.483 -19.015 1.00 0.00 H new ATOM 0 HG3 GLN A 109 47.879 11.720 -17.279 1.00 0.00 H new ATOM 0 HE21 GLN A 109 46.413 9.243 -19.529 1.00 0.00 H new ATOM 0 HE22 GLN A 109 47.001 7.862 -18.597 1.00 0.00 H new ATOM 1250 N ARG A 110 43.469 13.429 -17.594 1.00 0.00 N ATOM 1251 CA ARG A 110 42.071 13.781 -17.834 1.00 0.00 C ATOM 1252 C ARG A 110 41.885 15.293 -17.771 1.00 0.00 C ATOM 1253 O ARG A 110 40.928 15.837 -18.324 1.00 0.00 O ATOM 1254 CB ARG A 110 41.168 13.100 -16.801 1.00 0.00 C ATOM 1255 CG ARG A 110 41.649 13.451 -15.394 1.00 0.00 C ATOM 1256 CD ARG A 110 40.676 12.882 -14.360 1.00 0.00 C ATOM 1257 NE ARG A 110 41.095 13.261 -13.016 1.00 0.00 N ATOM 1258 CZ ARG A 110 40.376 12.922 -11.952 1.00 0.00 C ATOM 1259 NH1 ARG A 110 39.276 12.238 -12.102 1.00 0.00 N ATOM 1260 NH2 ARG A 110 40.764 13.276 -10.757 1.00 0.00 N1+ ATOM 0 H ARG A 110 43.675 13.129 -16.641 1.00 0.00 H new ATOM 0 HA ARG A 110 41.794 13.435 -18.830 1.00 0.00 H new ATOM 0 HB2 ARG A 110 40.136 13.423 -16.935 1.00 0.00 H new ATOM 0 HB3 ARG A 110 41.185 12.020 -16.944 1.00 0.00 H new ATOM 0 HG2 ARG A 110 42.648 13.046 -15.229 1.00 0.00 H new ATOM 0 HG3 ARG A 110 41.721 14.533 -15.283 1.00 0.00 H new ATOM 0 HD2 ARG A 110 39.669 13.253 -14.554 1.00 0.00 H new ATOM 0 HD3 ARG A 110 40.637 11.796 -14.445 1.00 0.00 H new ATOM 0 HE ARG A 110 41.955 13.795 -12.891 1.00 0.00 H new ATOM 0 HH11 ARG A 110 38.969 11.964 -13.035 1.00 0.00 H new ATOM 0 HH12 ARG A 110 38.723 11.977 -11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 110 41.622 13.815 -10.638 1.00 0.00 H new ATOM 0 HH22 ARG A 110 40.209 13.014 -9.942 1.00 0.00 H new ATOM 1274 N HIS A 111 42.810 15.967 -17.093 1.00 0.00 N ATOM 1275 CA HIS A 111 42.745 17.419 -16.962 1.00 0.00 C ATOM 1276 C HIS A 111 43.014 18.091 -18.306 1.00 0.00 C ATOM 1277 O HIS A 111 42.399 19.104 -18.639 1.00 0.00 O ATOM 1278 CB HIS A 111 43.764 17.901 -15.930 1.00 0.00 C ATOM 1279 CG HIS A 111 43.537 19.361 -15.648 1.00 0.00 C ATOM 1280 ND1 HIS A 111 42.522 19.803 -14.812 1.00 0.00 N ATOM 1281 CD2 HIS A 111 44.183 20.492 -16.082 1.00 0.00 C ATOM 1282 CE1 HIS A 111 42.587 21.146 -14.770 1.00 0.00 C ATOM 1283 NE2 HIS A 111 43.581 21.618 -15.527 1.00 0.00 N ATOM 0 H HIS A 111 43.608 15.534 -16.629 1.00 0.00 H new ATOM 0 HA HIS A 111 41.743 17.689 -16.629 1.00 0.00 H new ATOM 0 HB2 HIS A 111 43.669 17.323 -15.011 1.00 0.00 H new ATOM 0 HB3 HIS A 111 44.777 17.744 -16.302 1.00 0.00 H new ATOM 0 HD2 HIS A 111 45.030 20.506 -16.752 1.00 0.00 H new ATOM 0 HE1 HIS A 111 41.917 21.767 -14.194 1.00 0.00 H new ATOM 0 HE2 HIS A 111 43.843 22.594 -15.668 1.00 0.00 H new ATOM 1291 N VAL A 112 43.942 17.522 -19.067 1.00 0.00 N ATOM 1292 CA VAL A 112 44.295 18.070 -20.371 1.00 0.00 C ATOM 1293 C VAL A 112 43.226 17.730 -21.404 1.00 0.00 C ATOM 1294 O VAL A 112 42.345 16.908 -21.153 1.00 0.00 O ATOM 1295 CB VAL A 112 45.650 17.515 -20.823 1.00 0.00 C ATOM 1296 CG1 VAL A 112 46.731 17.965 -19.840 1.00 0.00 C ATOM 1297 CG2 VAL A 112 45.615 15.982 -20.848 1.00 0.00 C ATOM 0 H VAL A 112 44.462 16.684 -18.805 1.00 0.00 H new ATOM 0 HA VAL A 112 44.361 19.154 -20.283 1.00 0.00 H new ATOM 0 HB VAL A 112 45.867 17.888 -21.824 1.00 0.00 H new ATOM 0 HG11 VAL A 112 47.697 17.573 -20.157 1.00 0.00 H new ATOM 0 HG12 VAL A 112 46.771 19.054 -19.817 1.00 0.00 H new ATOM 0 HG13 VAL A 112 46.496 17.590 -18.844 1.00 0.00 H new ATOM 0 HG21 VAL A 112 46.584 15.601 -21.171 1.00 0.00 H new ATOM 0 HG22 VAL A 112 45.392 15.607 -19.849 1.00 0.00 H new ATOM 0 HG23 VAL A 112 44.844 15.647 -21.542 1.00 0.00 H new ATOM 1307 N LEU A 113 43.310 18.365 -22.569 1.00 0.00 N ATOM 1308 CA LEU A 113 42.347 18.118 -23.636 1.00 0.00 C ATOM 1309 C LEU A 113 42.763 16.900 -24.459 1.00 0.00 C ATOM 1310 O LEU A 113 42.006 16.426 -25.306 1.00 0.00 O ATOM 1311 CB LEU A 113 42.259 19.348 -24.555 1.00 0.00 C ATOM 1312 CG LEU A 113 43.668 19.972 -24.741 1.00 0.00 C ATOM 1313 CD1 LEU A 113 43.793 20.581 -26.144 1.00 0.00 C ATOM 1314 CD2 LEU A 113 43.902 21.072 -23.691 1.00 0.00 C ATOM 0 H LEU A 113 44.030 19.050 -22.797 1.00 0.00 H new ATOM 0 HA LEU A 113 41.373 17.927 -23.186 1.00 0.00 H new ATOM 0 HB2 LEU A 113 41.849 19.061 -25.523 1.00 0.00 H new ATOM 0 HB3 LEU A 113 41.579 20.085 -24.127 1.00 0.00 H new ATOM 0 HG LEU A 113 44.414 19.187 -24.617 1.00 0.00 H new ATOM 0 HD11 LEU A 113 44.785 21.016 -26.265 1.00 0.00 H new ATOM 0 HD12 LEU A 113 43.645 19.803 -26.893 1.00 0.00 H new ATOM 0 HD13 LEU A 113 43.038 21.357 -26.272 1.00 0.00 H new ATOM 0 HD21 LEU A 113 44.893 21.503 -23.830 1.00 0.00 H new ATOM 0 HD22 LEU A 113 43.148 21.851 -23.806 1.00 0.00 H new ATOM 0 HD23 LEU A 113 43.830 20.642 -22.692 1.00 0.00 H new ATOM 1326 N ASP A 114 43.970 16.400 -24.211 1.00 0.00 N ATOM 1327 CA ASP A 114 44.479 15.240 -24.937 1.00 0.00 C ATOM 1328 C ASP A 114 45.101 14.248 -23.966 1.00 0.00 C ATOM 1329 O ASP A 114 46.320 14.179 -23.845 1.00 0.00 O ATOM 1330 CB ASP A 114 45.531 15.678 -25.962 1.00 0.00 C ATOM 1331 CG ASP A 114 45.767 14.561 -26.975 1.00 0.00 C ATOM 1332 OD1 ASP A 114 44.798 13.934 -27.370 1.00 0.00 O ATOM 1333 OD2 ASP A 114 46.911 14.347 -27.339 1.00 0.00 O1- ATOM 0 H ASP A 114 44.613 16.778 -23.515 1.00 0.00 H new ATOM 0 HA ASP A 114 43.648 14.763 -25.457 1.00 0.00 H new ATOM 0 HB2 ASP A 114 45.198 16.581 -26.474 1.00 0.00 H new ATOM 0 HB3 ASP A 114 46.464 15.924 -25.456 1.00 0.00 H new ATOM 1338 N PRO A 115 44.286 13.488 -23.278 1.00 0.00 N ATOM 1339 CA PRO A 115 44.761 12.468 -22.294 1.00 0.00 C ATOM 1340 C PRO A 115 45.656 11.415 -22.945 1.00 0.00 C ATOM 1341 O PRO A 115 45.411 10.987 -24.073 1.00 0.00 O ATOM 1342 CB PRO A 115 43.455 11.837 -21.763 1.00 0.00 C ATOM 1343 CG PRO A 115 42.386 12.835 -22.063 1.00 0.00 C ATOM 1344 CD PRO A 115 42.819 13.527 -23.350 1.00 0.00 C ATOM 0 HA PRO A 115 45.374 12.909 -21.508 1.00 0.00 H new ATOM 0 HB2 PRO A 115 43.252 10.884 -22.251 1.00 0.00 H new ATOM 0 HB3 PRO A 115 43.520 11.640 -20.693 1.00 0.00 H new ATOM 0 HG2 PRO A 115 41.419 12.348 -22.186 1.00 0.00 H new ATOM 0 HG3 PRO A 115 42.280 13.552 -21.249 1.00 0.00 H new ATOM 0 HD2 PRO A 115 42.446 13.006 -24.232 1.00 0.00 H new ATOM 0 HD3 PRO A 115 42.446 14.550 -23.402 1.00 0.00 H new ATOM 1352 N ARG A 116 46.698 11.007 -22.224 1.00 0.00 N ATOM 1353 CA ARG A 116 47.633 10.005 -22.738 1.00 0.00 C ATOM 1354 C ARG A 116 48.005 9.013 -21.643 1.00 0.00 C ATOM 1355 O ARG A 116 48.444 9.401 -20.560 1.00 0.00 O ATOM 1356 CB ARG A 116 48.904 10.691 -23.248 1.00 0.00 C ATOM 1357 CG ARG A 116 48.528 11.899 -24.111 1.00 0.00 C ATOM 1358 CD ARG A 116 49.794 12.629 -24.560 1.00 0.00 C ATOM 1359 NE ARG A 116 50.542 11.813 -25.512 1.00 0.00 N ATOM 1360 CZ ARG A 116 50.294 11.873 -26.818 1.00 0.00 C ATOM 1361 NH1 ARG A 116 49.365 12.671 -27.274 1.00 0.00 N ATOM 1362 NH2 ARG A 116 50.976 11.131 -27.646 1.00 0.00 N1+ ATOM 0 H ARG A 116 46.917 11.351 -21.289 1.00 0.00 H new ATOM 0 HA ARG A 116 47.150 9.471 -23.556 1.00 0.00 H new ATOM 0 HB2 ARG A 116 49.519 11.010 -22.407 1.00 0.00 H new ATOM 0 HB3 ARG A 116 49.500 9.988 -23.830 1.00 0.00 H new ATOM 0 HG2 ARG A 116 47.958 11.573 -24.981 1.00 0.00 H new ATOM 0 HG3 ARG A 116 47.888 12.576 -23.546 1.00 0.00 H new ATOM 0 HD2 ARG A 116 49.529 13.582 -25.018 1.00 0.00 H new ATOM 0 HD3 ARG A 116 50.418 12.854 -23.695 1.00 0.00 H new ATOM 0 HE ARG A 116 51.269 11.185 -25.169 1.00 0.00 H new ATOM 0 HH11 ARG A 116 48.828 13.250 -26.628 1.00 0.00 H new ATOM 0 HH12 ARG A 116 49.177 12.715 -28.276 1.00 0.00 H new ATOM 0 HH21 ARG A 116 51.699 10.505 -27.292 1.00 0.00 H new ATOM 0 HH22 ARG A 116 50.786 11.177 -28.647 1.00 0.00 H new ATOM 1376 N CYS A 117 47.838 7.728 -21.941 1.00 0.00 N ATOM 1377 CA CYS A 117 48.169 6.677 -20.985 1.00 0.00 C ATOM 1378 C CYS A 117 49.583 6.879 -20.440 1.00 0.00 C ATOM 1379 O CYS A 117 50.434 7.479 -21.097 1.00 0.00 O ATOM 1380 CB CYS A 117 48.072 5.289 -21.655 1.00 0.00 C ATOM 1381 SG CYS A 117 46.832 5.322 -22.971 1.00 0.00 S ATOM 0 H CYS A 117 47.477 7.390 -22.833 1.00 0.00 H new ATOM 0 HA CYS A 117 47.456 6.729 -20.162 1.00 0.00 H new ATOM 0 HB2 CYS A 117 49.041 5.005 -22.065 1.00 0.00 H new ATOM 0 HB3 CYS A 117 47.807 4.536 -20.913 1.00 0.00 H new ATOM 0 HG CYS A 117 45.697 5.732 -22.487 1.00 0.00 H new ATOM 1386 N GLN A 118 49.820 6.367 -19.237 1.00 0.00 N ATOM 1387 CA GLN A 118 51.134 6.491 -18.616 1.00 0.00 C ATOM 1388 C GLN A 118 52.215 5.872 -19.500 1.00 0.00 C ATOM 1389 O GLN A 118 53.408 6.036 -19.243 1.00 0.00 O ATOM 1390 CB GLN A 118 51.135 5.810 -17.249 1.00 0.00 C ATOM 1391 CG GLN A 118 50.248 6.605 -16.292 1.00 0.00 C ATOM 1392 CD GLN A 118 50.196 5.911 -14.940 1.00 0.00 C ATOM 1393 OE1 GLN A 118 50.835 4.877 -14.746 1.00 0.00 O ATOM 1394 NE2 GLN A 118 49.471 6.423 -13.985 1.00 0.00 N ATOM 0 H GLN A 118 49.128 5.868 -18.678 1.00 0.00 H new ATOM 0 HA GLN A 118 51.352 7.552 -18.492 1.00 0.00 H new ATOM 0 HB2 GLN A 118 50.769 4.787 -17.338 1.00 0.00 H new ATOM 0 HB3 GLN A 118 52.151 5.752 -16.859 1.00 0.00 H new ATOM 0 HG2 GLN A 118 50.637 7.617 -16.177 1.00 0.00 H new ATOM 0 HG3 GLN A 118 49.243 6.695 -16.704 1.00 0.00 H new ATOM 0 HE21 GLN A 118 48.943 7.280 -14.149 1.00 0.00 H new ATOM 0 HE22 GLN A 118 49.432 5.967 -13.074 1.00 0.00 H new ATOM 1403 N ILE A 119 51.791 5.153 -20.537 1.00 0.00 N ATOM 1404 CA ILE A 119 52.730 4.503 -21.455 1.00 0.00 C ATOM 1405 C ILE A 119 53.126 5.429 -22.612 1.00 0.00 C ATOM 1406 O ILE A 119 54.265 5.397 -23.083 1.00 0.00 O ATOM 1407 CB ILE A 119 52.090 3.242 -22.025 1.00 0.00 C ATOM 1408 CG1 ILE A 119 51.442 2.441 -20.891 1.00 0.00 C ATOM 1409 CG2 ILE A 119 53.161 2.393 -22.708 1.00 0.00 C ATOM 1410 CD1 ILE A 119 52.443 2.229 -19.747 1.00 0.00 C ATOM 0 H ILE A 119 50.808 5.005 -20.764 1.00 0.00 H new ATOM 0 HA ILE A 119 53.630 4.256 -20.892 1.00 0.00 H new ATOM 0 HB ILE A 119 51.327 3.517 -22.754 1.00 0.00 H new ATOM 0 HG12 ILE A 119 50.563 2.968 -20.521 1.00 0.00 H new ATOM 0 HG13 ILE A 119 51.100 1.477 -21.267 1.00 0.00 H new ATOM 0 HG21 ILE A 119 52.705 1.491 -23.116 1.00 0.00 H new ATOM 0 HG22 ILE A 119 53.619 2.965 -23.515 1.00 0.00 H new ATOM 0 HG23 ILE A 119 53.924 2.116 -21.981 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.968 1.658 -18.949 1.00 0.00 H new ATOM 0 HD12 ILE A 119 53.309 1.682 -20.118 1.00 0.00 H new ATOM 0 HD13 ILE A 119 52.764 3.196 -19.360 1.00 0.00 H new ATOM 1422 N CYS A 120 52.173 6.234 -23.074 1.00 0.00 N ATOM 1423 CA CYS A 120 52.417 7.158 -24.191 1.00 0.00 C ATOM 1424 C CYS A 120 53.198 8.386 -23.717 1.00 0.00 C ATOM 1425 O CYS A 120 53.970 8.970 -24.475 1.00 0.00 O ATOM 1426 CB CYS A 120 51.070 7.589 -24.839 1.00 0.00 C ATOM 1427 SG CYS A 120 49.707 7.123 -23.757 1.00 0.00 S ATOM 0 H CYS A 120 51.226 6.269 -22.697 1.00 0.00 H new ATOM 0 HA CYS A 120 53.016 6.641 -24.941 1.00 0.00 H new ATOM 0 HB2 CYS A 120 51.063 8.666 -25.007 1.00 0.00 H new ATOM 0 HB3 CYS A 120 50.954 7.114 -25.813 1.00 0.00 H new ATOM 0 HG CYS A 120 49.917 7.598 -22.565 1.00 0.00 H new ATOM 1432 N VAL A 121 52.993 8.769 -22.464 1.00 0.00 N ATOM 1433 CA VAL A 121 53.685 9.929 -21.913 1.00 0.00 C ATOM 1434 C VAL A 121 55.180 9.659 -21.793 1.00 0.00 C ATOM 1435 O VAL A 121 56.003 10.540 -22.041 1.00 0.00 O ATOM 1436 CB VAL A 121 53.107 10.286 -20.540 1.00 0.00 C ATOM 1437 CG1 VAL A 121 51.595 10.507 -20.660 1.00 0.00 C ATOM 1438 CG2 VAL A 121 53.375 9.146 -19.563 1.00 0.00 C ATOM 0 H VAL A 121 52.361 8.300 -21.815 1.00 0.00 H new ATOM 0 HA VAL A 121 53.538 10.769 -22.592 1.00 0.00 H new ATOM 0 HB VAL A 121 53.580 11.198 -20.176 1.00 0.00 H new ATOM 0 HG11 VAL A 121 51.186 10.761 -19.682 1.00 0.00 H new ATOM 0 HG12 VAL A 121 51.401 11.322 -21.357 1.00 0.00 H new ATOM 0 HG13 VAL A 121 51.122 9.596 -21.026 1.00 0.00 H new ATOM 0 HG21 VAL A 121 52.964 9.400 -18.586 1.00 0.00 H new ATOM 0 HG22 VAL A 121 52.903 8.234 -19.929 1.00 0.00 H new ATOM 0 HG23 VAL A 121 54.450 8.988 -19.474 1.00 0.00 H new ATOM 1448 N HIS A 122 55.523 8.432 -21.407 1.00 0.00 N ATOM 1449 CA HIS A 122 56.923 8.046 -21.251 1.00 0.00 C ATOM 1450 C HIS A 122 57.494 7.543 -22.571 1.00 0.00 C ATOM 1451 O HIS A 122 58.648 7.119 -22.637 1.00 0.00 O ATOM 1452 CB HIS A 122 57.048 6.950 -20.190 1.00 0.00 C ATOM 1453 CG HIS A 122 56.793 7.538 -18.830 1.00 0.00 C ATOM 1454 ND1 HIS A 122 57.389 8.717 -18.413 1.00 0.00 N ATOM 1455 CD2 HIS A 122 56.016 7.119 -17.779 1.00 0.00 C ATOM 1456 CE1 HIS A 122 56.966 8.967 -17.161 1.00 0.00 C ATOM 1457 NE2 HIS A 122 56.127 8.022 -16.726 1.00 0.00 N ATOM 0 H HIS A 122 54.854 7.691 -21.197 1.00 0.00 H new ATOM 0 HA HIS A 122 57.487 8.924 -20.937 1.00 0.00 H new ATOM 0 HB2 HIS A 122 56.335 6.151 -20.392 1.00 0.00 H new ATOM 0 HB3 HIS A 122 58.043 6.506 -20.225 1.00 0.00 H new ATOM 0 HD2 HIS A 122 55.411 6.225 -17.771 1.00 0.00 H new ATOM 0 HE1 HIS A 122 57.267 9.825 -16.579 1.00 0.00 H new ATOM 0 HE2 HIS A 122 55.667 7.973 -15.817 1.00 0.00 H new