USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 56 LYS NZ :NH3+ 180:sc= 0.912 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 81:sc= 2.1 USER MOD Single : A 6 THR OG1 : rot 24:sc= 0.253 USER MOD Single : A 8 GLN : amide:sc= 0.39 X(o=0.39,f=-0.046) USER MOD Single : A 15 GLN : amide:sc= 0.834 K(o=0.83,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc=-0.00449 (180deg=-0.241) USER MOD Single : A 19 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 29 TYR OH : rot -30:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0562 X(o=-0.056,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -28:sc= 0.277 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 17:sc= 1.07 USER MOD Single : A 75 TYR OH : rot 56:sc= 0.197 USER MOD Single : A 80 ASN : amide:sc= -0.0553 K(o=-0.055,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ -167:sc=-0.00986 (180deg=-0.15) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.111 -5.905 1.753 1.00 0.00 N ATOM 83 CA THR A 6 9.773 -6.594 2.989 1.00 0.00 C ATOM 84 C THR A 6 10.820 -7.675 3.256 1.00 0.00 C ATOM 85 O THR A 6 11.689 -7.904 2.414 1.00 0.00 O ATOM 86 CB THR A 6 8.362 -7.182 2.849 1.00 0.00 C ATOM 87 OG1 THR A 6 7.471 -6.166 2.438 1.00 0.00 O ATOM 88 CG2 THR A 6 7.833 -7.750 4.162 1.00 0.00 C ATOM 0 HA THR A 6 9.775 -5.910 3.838 1.00 0.00 H new ATOM 0 HB THR A 6 8.427 -7.989 2.119 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.971 -5.457 1.983 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.832 -8.153 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.495 -8.544 4.508 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.794 -6.959 4.911 1.00 0.00 H new ATOM 96 N ASP A 7 10.752 -8.343 4.413 1.00 0.00 N ATOM 97 CA ASP A 7 11.736 -9.343 4.813 1.00 0.00 C ATOM 98 C ASP A 7 11.890 -10.462 3.782 1.00 0.00 C ATOM 99 O ASP A 7 12.881 -11.190 3.807 1.00 0.00 O ATOM 100 CB ASP A 7 11.338 -9.924 6.170 1.00 0.00 C ATOM 101 CG ASP A 7 9.999 -10.660 6.109 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.001 -11.842 5.705 1.00 0.00 O ATOM 103 OD2 ASP A 7 8.982 -10.024 6.467 1.00 0.00 O ATOM 0 H ASP A 7 10.009 -8.201 5.097 1.00 0.00 H new ATOM 0 HA ASP A 7 12.705 -8.848 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.113 -10.610 6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.277 -9.121 6.904 1.00 0.00 H new ATOM 108 N GLN A 8 10.924 -10.608 2.872 1.00 0.00 N ATOM 109 CA GLN A 8 10.997 -11.605 1.823 1.00 0.00 C ATOM 110 C GLN A 8 12.130 -11.277 0.856 1.00 0.00 C ATOM 111 O GLN A 8 12.995 -12.113 0.595 1.00 0.00 O ATOM 112 CB GLN A 8 9.655 -11.642 1.086 1.00 0.00 C ATOM 113 CG GLN A 8 9.681 -12.597 -0.110 1.00 0.00 C ATOM 114 CD GLN A 8 9.968 -14.037 0.303 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.049 -14.818 0.534 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.246 -14.398 0.404 1.00 0.00 N ATOM 0 H GLN A 8 10.078 -10.038 2.849 1.00 0.00 H new ATOM 0 HA GLN A 8 11.202 -12.583 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.870 -11.949 1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.403 -10.639 0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.722 -12.554 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.440 -12.267 -0.819 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.984 -13.723 0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.487 -15.350 0.681 1.00 0.00 H new ATOM 125 N VAL A 9 12.125 -10.054 0.325 1.00 0.00 N ATOM 126 CA VAL A 9 13.107 -9.620 -0.658 1.00 0.00 C ATOM 127 C VAL A 9 14.385 -9.144 0.027 1.00 0.00 C ATOM 128 O VAL A 9 15.458 -9.186 -0.569 1.00 0.00 O ATOM 129 CB VAL A 9 12.484 -8.539 -1.554 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.848 -7.426 -0.724 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.520 -7.912 -2.489 1.00 0.00 C ATOM 0 H VAL A 9 11.438 -9.339 0.567 1.00 0.00 H new ATOM 0 HA VAL A 9 13.391 -10.460 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 9 11.718 -9.039 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.417 -6.678 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.065 -7.845 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.608 -6.960 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.040 -7.152 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.312 -7.452 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.946 -8.684 -3.130 1.00 0.00 H new ATOM 141 N LEU A 10 14.287 -8.693 1.281 1.00 0.00 N ATOM 142 CA LEU A 10 15.454 -8.251 2.025 1.00 0.00 C ATOM 143 C LEU A 10 16.340 -9.436 2.400 1.00 0.00 C ATOM 144 O LEU A 10 17.549 -9.260 2.545 1.00 0.00 O ATOM 145 CB LEU A 10 15.002 -7.486 3.271 1.00 0.00 C ATOM 146 CG LEU A 10 14.997 -5.976 3.027 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.127 -5.575 1.840 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.477 -5.254 4.269 1.00 0.00 C ATOM 0 H LEU A 10 13.409 -8.627 1.796 1.00 0.00 H new ATOM 0 HA LEU A 10 16.047 -7.586 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.003 -7.813 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.665 -7.719 4.104 1.00 0.00 H new ATOM 0 HG LEU A 10 16.026 -5.691 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.161 -4.493 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.499 -6.058 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.098 -5.887 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.475 -4.179 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.462 -5.588 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.122 -5.480 5.118 1.00 0.00 H new ATOM 160 N VAL A 11 15.778 -10.638 2.558 1.00 0.00 N ATOM 161 CA VAL A 11 16.601 -11.811 2.834 1.00 0.00 C ATOM 162 C VAL A 11 17.169 -12.364 1.533 1.00 0.00 C ATOM 163 O VAL A 11 18.243 -12.961 1.536 1.00 0.00 O ATOM 164 CB VAL A 11 15.800 -12.868 3.603 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.590 -14.173 3.710 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.536 -12.364 5.022 1.00 0.00 C ATOM 0 H VAL A 11 14.776 -10.820 2.500 1.00 0.00 H new ATOM 0 HA VAL A 11 17.438 -11.519 3.469 1.00 0.00 H new ATOM 0 HB VAL A 11 14.867 -13.047 3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.003 -14.909 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.804 -14.552 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.527 -13.989 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.966 -13.112 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.485 -12.185 5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.968 -11.435 4.978 1.00 0.00 H new ATOM 176 N GLU A 12 16.478 -12.177 0.406 1.00 0.00 N ATOM 177 CA GLU A 12 17.013 -12.621 -0.872 1.00 0.00 C ATOM 178 C GLU A 12 18.164 -11.717 -1.308 1.00 0.00 C ATOM 179 O GLU A 12 19.135 -12.184 -1.902 1.00 0.00 O ATOM 180 CB GLU A 12 15.903 -12.592 -1.924 1.00 0.00 C ATOM 181 CG GLU A 12 14.885 -13.705 -1.678 1.00 0.00 C ATOM 182 CD GLU A 12 13.797 -13.683 -2.747 1.00 0.00 C ATOM 183 OE1 GLU A 12 13.992 -14.350 -3.787 1.00 0.00 O ATOM 184 OE2 GLU A 12 12.774 -13.000 -2.516 1.00 0.00 O ATOM 0 H GLU A 12 15.563 -11.729 0.357 1.00 0.00 H new ATOM 0 HA GLU A 12 17.390 -13.638 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.402 -11.624 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.336 -12.704 -2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.387 -14.672 -1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.436 -13.584 -0.692 1.00 0.00 H new ATOM 191 N ARG A 13 18.063 -10.419 -1.016 1.00 0.00 N ATOM 192 CA ARG A 13 19.057 -9.449 -1.450 1.00 0.00 C ATOM 193 C ARG A 13 20.369 -9.606 -0.688 1.00 0.00 C ATOM 194 O ARG A 13 21.439 -9.443 -1.277 1.00 0.00 O ATOM 195 CB ARG A 13 18.463 -8.045 -1.302 1.00 0.00 C ATOM 196 CG ARG A 13 19.447 -7.007 -1.838 1.00 0.00 C ATOM 197 CD ARG A 13 18.754 -5.664 -2.058 1.00 0.00 C ATOM 198 NE ARG A 13 19.651 -4.727 -2.740 1.00 0.00 N ATOM 199 CZ ARG A 13 19.319 -3.484 -3.095 1.00 0.00 C ATOM 200 NH1 ARG A 13 18.121 -2.985 -2.803 1.00 0.00 N ATOM 201 NH2 ARG A 13 20.199 -2.732 -3.748 1.00 0.00 N ATOM 0 H ARG A 13 17.296 -10.018 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 13 19.304 -9.621 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.520 -7.980 -1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.242 -7.843 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.272 -6.885 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.877 -7.357 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.850 -5.808 -2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.444 -5.247 -1.100 1.00 0.00 H new ATOM 0 HE ARG A 13 20.595 -5.047 -2.959 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.440 -3.554 -2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.883 -2.033 -3.082 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.121 -3.106 -3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.953 -1.781 -4.023 1.00 0.00 H new ATOM 215 N VAL A 14 20.311 -9.926 0.608 1.00 0.00 N ATOM 216 CA VAL A 14 21.525 -10.136 1.394 1.00 0.00 C ATOM 217 C VAL A 14 22.195 -11.451 1.012 1.00 0.00 C ATOM 218 O VAL A 14 23.399 -11.604 1.206 1.00 0.00 O ATOM 219 CB VAL A 14 21.212 -10.106 2.890 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.626 -8.754 3.273 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.235 -11.200 3.288 1.00 0.00 C ATOM 0 H VAL A 14 19.442 -10.044 1.130 1.00 0.00 H new ATOM 0 HA VAL A 14 22.217 -9.324 1.173 1.00 0.00 H new ATOM 0 HB VAL A 14 22.149 -10.275 3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.406 -8.742 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.344 -7.967 3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.707 -8.583 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.040 -11.142 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.301 -11.070 2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.662 -12.174 3.049 1.00 0.00 H new ATOM 231 N GLN A 15 21.431 -12.404 0.465 1.00 0.00 N ATOM 232 CA GLN A 15 21.992 -13.653 -0.024 1.00 0.00 C ATOM 233 C GLN A 15 22.649 -13.445 -1.390 1.00 0.00 C ATOM 234 O GLN A 15 23.449 -14.275 -1.820 1.00 0.00 O ATOM 235 CB GLN A 15 20.897 -14.720 -0.085 1.00 0.00 C ATOM 236 CG GLN A 15 20.474 -15.132 1.330 1.00 0.00 C ATOM 237 CD GLN A 15 19.325 -16.139 1.316 1.00 0.00 C ATOM 238 OE1 GLN A 15 18.694 -16.370 0.286 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.035 -16.753 2.461 1.00 0.00 N ATOM 0 H GLN A 15 20.420 -12.326 0.353 1.00 0.00 H new ATOM 0 HA GLN A 15 22.766 -13.996 0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.036 -14.336 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.259 -15.591 -0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.328 -15.564 1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.173 -14.247 1.890 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.573 -16.544 3.302 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.275 -17.432 2.497 1.00 0.00 H new ATOM 248 N LYS A 16 22.321 -12.339 -2.073 1.00 0.00 N ATOM 249 CA LYS A 16 22.981 -11.939 -3.311 1.00 0.00 C ATOM 250 C LYS A 16 24.291 -11.194 -3.039 1.00 0.00 C ATOM 251 O LYS A 16 25.021 -10.885 -3.979 1.00 0.00 O ATOM 252 CB LYS A 16 22.021 -11.079 -4.137 1.00 0.00 C ATOM 253 CG LYS A 16 21.723 -11.763 -5.470 1.00 0.00 C ATOM 254 CD LYS A 16 20.867 -13.023 -5.296 1.00 0.00 C ATOM 255 CE LYS A 16 19.435 -12.678 -4.889 1.00 0.00 C ATOM 256 NZ LYS A 16 18.715 -11.983 -5.971 1.00 0.00 N ATOM 0 H LYS A 16 21.586 -11.698 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 16 23.240 -12.835 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.095 -10.921 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.459 -10.097 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.207 -11.064 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.661 -12.028 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.855 -13.587 -6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 16 21.316 -13.667 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.902 -13.591 -4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.451 -12.049 -3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.693 -12.004 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.037 -10.995 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.906 -12.458 -6.876 1.00 0.00 H new ATOM 270 N GLY A 17 24.587 -10.908 -1.769 1.00 0.00 N ATOM 271 CA GLY A 17 25.841 -10.284 -1.363 1.00 0.00 C ATOM 272 C GLY A 17 25.679 -8.818 -0.962 1.00 0.00 C ATOM 273 O GLY A 17 26.668 -8.178 -0.604 1.00 0.00 O ATOM 0 H GLY A 17 23.957 -11.105 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.262 -10.839 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.556 -10.353 -2.182 1.00 0.00 H new ATOM 277 N ASP A 18 24.457 -8.280 -1.008 1.00 0.00 N ATOM 278 CA ASP A 18 24.194 -6.903 -0.610 1.00 0.00 C ATOM 279 C ASP A 18 23.970 -6.854 0.902 1.00 0.00 C ATOM 280 O ASP A 18 22.835 -6.882 1.372 1.00 0.00 O ATOM 281 CB ASP A 18 22.974 -6.379 -1.371 1.00 0.00 C ATOM 282 CG ASP A 18 23.290 -5.911 -2.787 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.365 -6.277 -3.311 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.439 -5.176 -3.338 1.00 0.00 O ATOM 0 H ASP A 18 23.629 -8.787 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 18 25.045 -6.267 -0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.220 -7.165 -1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.537 -5.551 -0.813 1.00 0.00 H new ATOM 289 N GLN A 19 25.061 -6.781 1.670 1.00 0.00 N ATOM 290 CA GLN A 19 24.994 -6.734 3.122 1.00 0.00 C ATOM 291 C GLN A 19 24.296 -5.455 3.595 1.00 0.00 C ATOM 292 O GLN A 19 23.794 -5.392 4.717 1.00 0.00 O ATOM 293 CB GLN A 19 26.422 -6.851 3.670 1.00 0.00 C ATOM 294 CG GLN A 19 26.462 -6.971 5.196 1.00 0.00 C ATOM 295 CD GLN A 19 26.417 -5.627 5.918 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.587 -4.568 5.317 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.182 -5.662 7.227 1.00 0.00 N ATOM 0 H GLN A 19 26.010 -6.753 1.298 1.00 0.00 H new ATOM 0 HA GLN A 19 24.398 -7.564 3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.906 -7.722 3.228 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.997 -5.977 3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.620 -7.579 5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.370 -7.499 5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 19 26.045 -6.557 7.697 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.139 -4.794 7.761 1.00 0.00 H new ATOM 306 N LYS A 20 24.257 -4.433 2.733 1.00 0.00 N ATOM 307 CA LYS A 20 23.586 -3.169 3.011 1.00 0.00 C ATOM 308 C LYS A 20 22.084 -3.374 3.214 1.00 0.00 C ATOM 309 O LYS A 20 21.439 -2.563 3.872 1.00 0.00 O ATOM 310 CB LYS A 20 23.858 -2.215 1.848 1.00 0.00 C ATOM 311 CG LYS A 20 23.319 -2.776 0.523 1.00 0.00 C ATOM 312 CD LYS A 20 23.802 -1.913 -0.641 1.00 0.00 C ATOM 313 CE LYS A 20 23.299 -2.495 -1.959 1.00 0.00 C ATOM 314 NZ LYS A 20 23.780 -1.705 -3.109 1.00 0.00 N ATOM 0 H LYS A 20 24.697 -4.466 1.813 1.00 0.00 H new ATOM 0 HA LYS A 20 23.974 -2.743 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.394 -1.250 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.931 -2.041 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.656 -3.804 0.389 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.229 -2.798 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.441 -0.891 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.891 -1.868 -0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.637 -3.527 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 20 22.209 -2.515 -1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 23.423 -2.124 -3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.437 -0.727 -3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.820 -1.707 -3.121 1.00 0.00 H new ATOM 328 N ALA A 21 21.526 -4.454 2.660 1.00 0.00 N ATOM 329 CA ALA A 21 20.115 -4.751 2.833 1.00 0.00 C ATOM 330 C ALA A 21 19.869 -5.456 4.165 1.00 0.00 C ATOM 331 O ALA A 21 18.741 -5.471 4.650 1.00 0.00 O ATOM 332 CB ALA A 21 19.623 -5.598 1.661 1.00 0.00 C ATOM 0 H ALA A 21 22.034 -5.131 2.091 1.00 0.00 H new ATOM 0 HA ALA A 21 19.553 -3.817 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.564 -5.820 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.766 -5.049 0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.187 -6.530 1.623 1.00 0.00 H new ATOM 338 N PHE A 22 20.917 -6.039 4.760 1.00 0.00 N ATOM 339 CA PHE A 22 20.788 -6.672 6.062 1.00 0.00 C ATOM 340 C PHE A 22 20.772 -5.594 7.136 1.00 0.00 C ATOM 341 O PHE A 22 20.057 -5.714 8.124 1.00 0.00 O ATOM 342 CB PHE A 22 21.941 -7.649 6.302 1.00 0.00 C ATOM 343 CG PHE A 22 21.781 -8.399 7.604 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.764 -9.355 7.735 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.636 -8.136 8.683 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.598 -10.046 8.942 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.466 -8.822 9.892 1.00 0.00 C ATOM 348 CZ PHE A 22 21.446 -9.776 10.025 1.00 0.00 C ATOM 0 H PHE A 22 21.853 -6.081 4.358 1.00 0.00 H new ATOM 0 HA PHE A 22 19.857 -7.238 6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.992 -8.360 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.884 -7.103 6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.107 -9.559 6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.425 -7.405 8.582 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.817 -10.786 9.038 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.122 -8.616 10.725 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.314 -10.301 10.960 1.00 0.00 H new ATOM 358 N ASN A 23 21.556 -4.533 6.946 1.00 0.00 N ATOM 359 CA ASN A 23 21.589 -3.425 7.887 1.00 0.00 C ATOM 360 C ASN A 23 20.204 -2.797 7.981 1.00 0.00 C ATOM 361 O ASN A 23 19.735 -2.475 9.073 1.00 0.00 O ATOM 362 CB ASN A 23 22.629 -2.420 7.391 1.00 0.00 C ATOM 363 CG ASN A 23 22.512 -1.076 8.094 1.00 0.00 C ATOM 364 OD1 ASN A 23 23.009 -0.900 9.203 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.849 -0.125 7.444 1.00 0.00 N ATOM 0 H ASN A 23 22.177 -4.422 6.145 1.00 0.00 H new ATOM 0 HA ASN A 23 21.865 -3.763 8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.628 -2.825 7.550 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.510 -2.278 6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.736 0.797 7.865 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.453 -0.317 6.524 1.00 0.00 H new ATOM 372 N LEU A 24 19.550 -2.625 6.833 1.00 0.00 N ATOM 373 CA LEU A 24 18.214 -2.063 6.776 1.00 0.00 C ATOM 374 C LEU A 24 17.159 -3.075 7.223 1.00 0.00 C ATOM 375 O LEU A 24 16.041 -2.695 7.560 1.00 0.00 O ATOM 376 CB LEU A 24 17.927 -1.582 5.354 1.00 0.00 C ATOM 377 CG LEU A 24 18.917 -0.507 4.892 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.688 -0.223 3.410 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.735 0.786 5.682 1.00 0.00 C ATOM 0 H LEU A 24 19.936 -2.873 5.922 1.00 0.00 H new ATOM 0 HA LEU A 24 18.164 -1.219 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.970 -2.430 4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.913 -1.184 5.305 1.00 0.00 H new ATOM 0 HG LEU A 24 19.929 -0.874 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.389 0.541 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.844 -1.136 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.667 0.130 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.451 1.530 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.722 1.161 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.902 0.592 6.741 1.00 0.00 H new ATOM 391 N LEU A 25 17.503 -4.363 7.227 1.00 0.00 N ATOM 392 CA LEU A 25 16.599 -5.407 7.682 1.00 0.00 C ATOM 393 C LEU A 25 16.613 -5.515 9.204 1.00 0.00 C ATOM 394 O LEU A 25 15.553 -5.648 9.813 1.00 0.00 O ATOM 395 CB LEU A 25 16.994 -6.725 7.010 1.00 0.00 C ATOM 396 CG LEU A 25 16.163 -7.924 7.476 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.681 -7.753 7.148 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.671 -9.181 6.778 1.00 0.00 C ATOM 0 H LEU A 25 18.412 -4.706 6.916 1.00 0.00 H new ATOM 0 HA LEU A 25 15.575 -5.161 7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.889 -6.618 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.047 -6.924 7.210 1.00 0.00 H new ATOM 0 HG LEU A 25 16.268 -8.002 8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.128 -8.626 7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.299 -6.861 7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.556 -7.650 6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.085 -10.040 7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.573 -9.063 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.719 -9.340 7.032 1.00 0.00 H new ATOM 410 N VAL A 26 17.786 -5.460 9.842 1.00 0.00 N ATOM 411 CA VAL A 26 17.824 -5.652 11.286 1.00 0.00 C ATOM 412 C VAL A 26 17.222 -4.470 12.031 1.00 0.00 C ATOM 413 O VAL A 26 16.774 -4.658 13.154 1.00 0.00 O ATOM 414 CB VAL A 26 19.235 -5.945 11.799 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.854 -7.142 11.086 1.00 0.00 C ATOM 416 CG2 VAL A 26 20.150 -4.727 11.687 1.00 0.00 C ATOM 0 H VAL A 26 18.688 -5.290 9.398 1.00 0.00 H new ATOM 0 HA VAL A 26 17.211 -6.530 11.489 1.00 0.00 H new ATOM 0 HB VAL A 26 19.135 -6.191 12.856 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.856 -7.320 11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.237 -8.025 11.254 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.912 -6.938 10.017 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.141 -4.981 12.063 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.224 -4.423 10.643 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.738 -3.907 12.275 1.00 0.00 H new ATOM 426 N VAL A 27 17.197 -3.264 11.451 1.00 0.00 N ATOM 427 CA VAL A 27 16.602 -2.127 12.152 1.00 0.00 C ATOM 428 C VAL A 27 15.097 -2.320 12.313 1.00 0.00 C ATOM 429 O VAL A 27 14.507 -1.784 13.249 1.00 0.00 O ATOM 430 CB VAL A 27 16.900 -0.806 11.439 1.00 0.00 C ATOM 431 CG1 VAL A 27 18.396 -0.513 11.456 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.445 -0.831 9.985 1.00 0.00 C ATOM 0 H VAL A 27 17.571 -3.056 10.525 1.00 0.00 H new ATOM 0 HA VAL A 27 17.056 -2.079 13.142 1.00 0.00 H new ATOM 0 HB VAL A 27 16.351 -0.033 11.976 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.588 0.430 10.944 1.00 0.00 H new ATOM 0 HG12 VAL A 27 18.741 -0.443 12.487 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.930 -1.316 10.948 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.675 0.125 9.515 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.964 -1.630 9.455 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.370 -1.007 9.943 1.00 0.00 H new ATOM 442 N ARG A 28 14.466 -3.085 11.411 1.00 0.00 N ATOM 443 CA ARG A 28 13.040 -3.370 11.508 1.00 0.00 C ATOM 444 C ARG A 28 12.780 -4.298 12.689 1.00 0.00 C ATOM 445 O ARG A 28 11.725 -4.241 13.318 1.00 0.00 O ATOM 446 CB ARG A 28 12.553 -4.036 10.219 1.00 0.00 C ATOM 447 CG ARG A 28 13.048 -3.297 8.974 1.00 0.00 C ATOM 448 CD ARG A 28 12.502 -3.936 7.697 1.00 0.00 C ATOM 449 NE ARG A 28 11.055 -3.723 7.557 1.00 0.00 N ATOM 450 CZ ARG A 28 10.413 -3.625 6.385 1.00 0.00 C ATOM 451 NH1 ARG A 28 11.071 -3.705 5.232 1.00 0.00 N ATOM 452 NH2 ARG A 28 9.096 -3.444 6.364 1.00 0.00 N ATOM 0 H ARG A 28 14.927 -3.514 10.609 1.00 0.00 H new ATOM 0 HA ARG A 28 12.500 -2.435 11.656 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.900 -5.069 10.190 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.463 -4.066 10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.740 -2.253 9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.138 -3.307 8.951 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.017 -3.517 6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.713 -5.005 7.707 1.00 0.00 H new ATOM 0 HE ARG A 28 10.501 -3.644 8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.082 -3.843 5.230 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.565 -3.628 4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.576 -3.380 7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.606 -3.369 5.473 1.00 0.00 H new ATOM 466 N TYR A 29 13.758 -5.156 12.981 1.00 0.00 N ATOM 467 CA TYR A 29 13.672 -6.113 14.071 1.00 0.00 C ATOM 468 C TYR A 29 14.417 -5.645 15.319 1.00 0.00 C ATOM 469 O TYR A 29 14.300 -6.262 16.370 1.00 0.00 O ATOM 470 CB TYR A 29 14.186 -7.463 13.575 1.00 0.00 C ATOM 471 CG TYR A 29 13.272 -8.071 12.539 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.315 -7.634 11.208 1.00 0.00 C ATOM 473 CD2 TYR A 29 12.368 -9.070 12.920 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.430 -8.167 10.260 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.484 -9.614 11.978 1.00 0.00 C ATOM 476 CZ TYR A 29 11.509 -9.164 10.639 1.00 0.00 C ATOM 477 OH TYR A 29 10.650 -9.684 9.721 1.00 0.00 O ATOM 0 H TYR A 29 14.635 -5.202 12.462 1.00 0.00 H new ATOM 0 HA TYR A 29 12.630 -6.209 14.375 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.182 -7.338 13.151 1.00 0.00 H new ATOM 0 HB3 TYR A 29 14.283 -8.146 14.419 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.033 -6.884 10.911 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.352 -9.422 13.941 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.454 -7.814 9.240 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.782 -10.379 12.276 1.00 0.00 H new ATOM 0 HH TYR A 29 10.444 -9.006 9.044 1.00 0.00 H new ATOM 487 N GLN A 30 15.188 -4.563 15.237 1.00 0.00 N ATOM 488 CA GLN A 30 15.994 -4.099 16.356 1.00 0.00 C ATOM 489 C GLN A 30 15.102 -3.707 17.531 1.00 0.00 C ATOM 490 O GLN A 30 15.513 -3.831 18.685 1.00 0.00 O ATOM 491 CB GLN A 30 16.851 -2.941 15.847 1.00 0.00 C ATOM 492 CG GLN A 30 17.923 -2.490 16.835 1.00 0.00 C ATOM 493 CD GLN A 30 18.802 -1.435 16.178 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.872 -0.296 16.634 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.484 -1.807 15.097 1.00 0.00 N ATOM 0 H GLN A 30 15.269 -3.989 14.398 1.00 0.00 H new ATOM 0 HA GLN A 30 16.647 -4.886 16.732 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.331 -3.238 14.915 1.00 0.00 H new ATOM 0 HB3 GLN A 30 16.203 -2.095 15.616 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.458 -2.084 17.733 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.528 -3.341 17.146 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.402 -2.761 14.746 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.088 -1.138 14.620 1.00 0.00 H new ATOM 504 N HIS A 31 13.884 -3.241 17.250 1.00 0.00 N ATOM 505 CA HIS A 31 12.915 -2.910 18.286 1.00 0.00 C ATOM 506 C HIS A 31 12.097 -4.135 18.705 1.00 0.00 C ATOM 507 O HIS A 31 11.708 -4.248 19.869 1.00 0.00 O ATOM 508 CB HIS A 31 12.005 -1.793 17.770 1.00 0.00 C ATOM 509 CG HIS A 31 10.988 -1.348 18.788 1.00 0.00 C ATOM 510 ND1 HIS A 31 9.622 -1.635 18.745 1.00 0.00 N ATOM 511 CD2 HIS A 31 11.256 -0.598 19.896 1.00 0.00 C ATOM 512 CE1 HIS A 31 9.100 -1.047 19.834 1.00 0.00 C ATOM 513 NE2 HIS A 31 10.056 -0.421 20.544 1.00 0.00 N ATOM 0 H HIS A 31 13.546 -3.084 16.300 1.00 0.00 H new ATOM 0 HA HIS A 31 13.447 -2.569 19.174 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.616 -0.939 17.477 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.488 -2.137 16.874 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.219 -0.219 20.203 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.054 -1.073 20.103 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.915 0.095 21.412 1.00 0.00 H new ATOM 521 N LYS A 32 11.830 -5.055 17.770 1.00 0.00 N ATOM 522 CA LYS A 32 10.980 -6.212 18.040 1.00 0.00 C ATOM 523 C LYS A 32 11.734 -7.326 18.760 1.00 0.00 C ATOM 524 O LYS A 32 11.169 -8.008 19.614 1.00 0.00 O ATOM 525 CB LYS A 32 10.412 -6.736 16.721 1.00 0.00 C ATOM 526 CG LYS A 32 9.594 -5.659 16.003 1.00 0.00 C ATOM 527 CD LYS A 32 9.034 -6.218 14.695 1.00 0.00 C ATOM 528 CE LYS A 32 8.222 -5.133 13.990 1.00 0.00 C ATOM 529 NZ LYS A 32 7.662 -5.625 12.717 1.00 0.00 N ATOM 0 H LYS A 32 12.194 -5.017 16.818 1.00 0.00 H new ATOM 0 HA LYS A 32 10.174 -5.890 18.699 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.227 -7.067 16.077 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.784 -7.606 16.913 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.779 -5.322 16.643 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.220 -4.790 15.799 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.847 -6.555 14.052 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.406 -7.086 14.896 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.414 -4.800 14.641 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.856 -4.267 13.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.116 -4.866 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.436 -5.920 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.039 -6.436 12.903 1.00 0.00 H new ATOM 543 N VAL A 33 13.009 -7.510 18.415 1.00 0.00 N ATOM 544 CA VAL A 33 13.863 -8.513 19.026 1.00 0.00 C ATOM 545 C VAL A 33 14.192 -8.091 20.449 1.00 0.00 C ATOM 546 O VAL A 33 14.236 -8.927 21.350 1.00 0.00 O ATOM 547 CB VAL A 33 15.152 -8.610 18.207 1.00 0.00 C ATOM 548 CG1 VAL A 33 16.084 -9.663 18.760 1.00 0.00 C ATOM 549 CG2 VAL A 33 14.906 -9.122 16.802 1.00 0.00 C ATOM 0 H VAL A 33 13.477 -6.958 17.696 1.00 0.00 H new ATOM 0 HA VAL A 33 13.360 -9.480 19.047 1.00 0.00 H new ATOM 0 HB VAL A 33 15.556 -7.598 18.234 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.988 -9.703 18.153 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.347 -9.412 19.788 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.589 -10.634 18.739 1.00 0.00 H new ATOM 0 HG21 VAL A 33 15.852 -9.172 16.262 1.00 0.00 H new ATOM 0 HG22 VAL A 33 14.462 -10.116 16.850 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.227 -8.446 16.282 1.00 0.00 H new ATOM 559 N ALA A 34 14.418 -6.793 20.651 1.00 0.00 N ATOM 560 CA ALA A 34 14.708 -6.259 21.966 1.00 0.00 C ATOM 561 C ALA A 34 13.511 -6.435 22.904 1.00 0.00 C ATOM 562 O ALA A 34 13.683 -6.456 24.119 1.00 0.00 O ATOM 563 CB ALA A 34 15.074 -4.781 21.837 1.00 0.00 C ATOM 0 H ALA A 34 14.404 -6.093 19.909 1.00 0.00 H new ATOM 0 HA ALA A 34 15.548 -6.806 22.395 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.293 -4.373 22.824 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.951 -4.678 21.198 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.239 -4.236 21.397 1.00 0.00 H new ATOM 569 N SER A 35 12.299 -6.565 22.358 1.00 0.00 N ATOM 570 CA SER A 35 11.105 -6.733 23.172 1.00 0.00 C ATOM 571 C SER A 35 11.031 -8.139 23.754 1.00 0.00 C ATOM 572 O SER A 35 10.754 -8.305 24.943 1.00 0.00 O ATOM 573 CB SER A 35 9.872 -6.454 22.317 1.00 0.00 C ATOM 574 OG SER A 35 8.714 -6.482 23.125 1.00 0.00 O ATOM 0 H SER A 35 12.125 -6.556 21.353 1.00 0.00 H new ATOM 0 HA SER A 35 11.145 -6.029 24.003 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.966 -5.482 21.833 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.792 -7.198 21.524 1.00 0.00 H new ATOM 0 HG SER A 35 7.925 -6.301 22.572 1.00 0.00 H new ATOM 580 N LEU A 36 11.280 -9.161 22.929 1.00 0.00 N ATOM 581 CA LEU A 36 11.178 -10.539 23.393 1.00 0.00 C ATOM 582 C LEU A 36 12.448 -10.980 24.113 1.00 0.00 C ATOM 583 O LEU A 36 12.389 -11.867 24.960 1.00 0.00 O ATOM 584 CB LEU A 36 10.820 -11.460 22.221 1.00 0.00 C ATOM 585 CG LEU A 36 11.939 -11.641 21.190 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.900 -12.771 21.570 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.315 -12.029 19.855 1.00 0.00 C ATOM 0 H LEU A 36 11.550 -9.058 21.951 1.00 0.00 H new ATOM 0 HA LEU A 36 10.374 -10.606 24.126 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.545 -12.438 22.615 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.940 -11.060 21.717 1.00 0.00 H new ATOM 0 HG LEU A 36 12.489 -10.701 21.142 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.675 -12.861 20.809 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.360 -12.549 22.533 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.349 -13.709 21.639 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.101 -12.161 19.111 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.762 -12.962 19.969 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.635 -11.242 19.529 1.00 0.00 H new ATOM 599 N VAL A 37 13.597 -10.378 23.790 1.00 0.00 N ATOM 600 CA VAL A 37 14.847 -10.780 24.417 1.00 0.00 C ATOM 601 C VAL A 37 15.069 -10.064 25.747 1.00 0.00 C ATOM 602 O VAL A 37 15.887 -10.502 26.550 1.00 0.00 O ATOM 603 CB VAL A 37 15.999 -10.623 23.422 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.532 -9.200 23.371 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.155 -11.550 23.784 1.00 0.00 C ATOM 0 H VAL A 37 13.682 -9.624 23.109 1.00 0.00 H new ATOM 0 HA VAL A 37 14.798 -11.837 24.679 1.00 0.00 H new ATOM 0 HB VAL A 37 15.592 -10.881 22.444 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.348 -9.143 22.650 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.733 -8.523 23.069 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.898 -8.913 24.357 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.963 -11.422 23.064 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.517 -11.307 24.783 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.812 -12.584 23.764 1.00 0.00 H new ATOM 615 N SER A 38 14.343 -8.967 25.998 1.00 0.00 N ATOM 616 CA SER A 38 14.380 -8.299 27.294 1.00 0.00 C ATOM 617 C SER A 38 13.701 -9.172 28.349 1.00 0.00 C ATOM 618 O SER A 38 13.767 -8.878 29.541 1.00 0.00 O ATOM 619 CB SER A 38 13.691 -6.936 27.199 1.00 0.00 C ATOM 620 OG SER A 38 13.822 -6.235 28.419 1.00 0.00 O ATOM 0 H SER A 38 13.724 -8.527 25.317 1.00 0.00 H new ATOM 0 HA SER A 38 15.418 -8.143 27.588 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.130 -6.354 26.388 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.636 -7.070 26.960 1.00 0.00 H new ATOM 0 HG SER A 38 13.908 -6.875 29.156 1.00 0.00 H new ATOM 626 N ARG A 39 13.046 -10.253 27.910 1.00 0.00 N ATOM 627 CA ARG A 39 12.402 -11.214 28.792 1.00 0.00 C ATOM 628 C ARG A 39 13.369 -12.325 29.200 1.00 0.00 C ATOM 629 O ARG A 39 13.012 -13.177 30.013 1.00 0.00 O ATOM 630 CB ARG A 39 11.170 -11.795 28.094 1.00 0.00 C ATOM 631 CG ARG A 39 10.251 -10.687 27.573 1.00 0.00 C ATOM 632 CD ARG A 39 9.050 -11.292 26.845 1.00 0.00 C ATOM 633 NE ARG A 39 8.250 -10.239 26.208 1.00 0.00 N ATOM 634 CZ ARG A 39 7.050 -10.437 25.656 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.491 -11.643 25.660 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.400 -9.422 25.095 1.00 0.00 N ATOM 0 H ARG A 39 12.951 -10.481 26.920 1.00 0.00 H new ATOM 0 HA ARG A 39 12.092 -10.703 29.704 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.484 -12.429 27.265 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.620 -12.429 28.790 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.908 -10.069 28.403 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.804 -10.035 26.897 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.393 -12.001 26.092 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.433 -11.849 27.550 1.00 0.00 H new ATOM 0 HE ARG A 39 8.635 -9.295 26.185 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.979 -12.430 26.088 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.574 -11.782 25.235 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.818 -8.491 25.086 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.484 -9.574 24.674 1.00 0.00 H new ATOM 650 N TYR A 40 14.587 -12.320 28.646 1.00 0.00 N ATOM 651 CA TYR A 40 15.593 -13.335 28.936 1.00 0.00 C ATOM 652 C TYR A 40 16.889 -12.728 29.477 1.00 0.00 C ATOM 653 O TYR A 40 17.711 -13.458 30.029 1.00 0.00 O ATOM 654 CB TYR A 40 15.857 -14.165 27.678 1.00 0.00 C ATOM 655 CG TYR A 40 14.645 -14.929 27.191 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.238 -16.094 27.861 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.922 -14.472 26.079 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.105 -16.798 27.423 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.791 -15.171 25.632 1.00 0.00 C ATOM 660 CZ TYR A 40 12.378 -16.338 26.306 1.00 0.00 C ATOM 661 OH TYR A 40 11.280 -17.027 25.882 1.00 0.00 O ATOM 0 H TYR A 40 14.898 -11.609 27.984 1.00 0.00 H new ATOM 0 HA TYR A 40 15.205 -13.983 29.722 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.203 -13.504 26.883 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.663 -14.870 27.881 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.797 -16.449 28.714 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.238 -13.577 25.564 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.790 -17.692 27.942 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.239 -14.816 24.774 1.00 0.00 H new ATOM 0 HH TYR A 40 10.893 -16.577 25.102 1.00 0.00 H new ATOM 671 N VAL A 41 17.079 -11.412 29.332 1.00 0.00 N ATOM 672 CA VAL A 41 18.220 -10.689 29.895 1.00 0.00 C ATOM 673 C VAL A 41 17.767 -9.310 30.370 1.00 0.00 C ATOM 674 O VAL A 41 16.787 -8.775 29.851 1.00 0.00 O ATOM 675 CB VAL A 41 19.364 -10.549 28.876 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.101 -11.877 28.706 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.875 -10.071 27.509 1.00 0.00 C ATOM 0 H VAL A 41 16.436 -10.814 28.814 1.00 0.00 H new ATOM 0 HA VAL A 41 18.602 -11.263 30.740 1.00 0.00 H new ATOM 0 HB VAL A 41 20.042 -9.795 29.276 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.906 -11.756 27.981 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.519 -12.187 29.664 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.405 -12.637 28.351 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.722 -9.989 26.828 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.156 -10.786 27.109 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.398 -9.096 27.614 1.00 0.00 H new ATOM 687 N PRO A 42 18.462 -8.719 31.354 1.00 0.00 N ATOM 688 CA PRO A 42 18.128 -7.416 31.902 1.00 0.00 C ATOM 689 C PRO A 42 18.382 -6.309 30.880 1.00 0.00 C ATOM 690 O PRO A 42 19.067 -6.519 29.878 1.00 0.00 O ATOM 691 CB PRO A 42 19.021 -7.263 33.136 1.00 0.00 C ATOM 692 CG PRO A 42 20.250 -8.087 32.763 1.00 0.00 C ATOM 693 CD PRO A 42 19.632 -9.265 32.016 1.00 0.00 C ATOM 0 HA PRO A 42 17.072 -7.338 32.161 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.275 -6.220 33.326 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.537 -7.642 34.036 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.942 -7.525 32.136 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.807 -8.409 33.643 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.333 -9.686 31.295 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.359 -10.067 32.701 1.00 0.00 H new ATOM 701 N SER A 43 17.832 -5.121 31.137 1.00 0.00 N ATOM 702 CA SER A 43 17.903 -4.000 30.209 1.00 0.00 C ATOM 703 C SER A 43 19.327 -3.480 30.010 1.00 0.00 C ATOM 704 O SER A 43 19.559 -2.667 29.117 1.00 0.00 O ATOM 705 CB SER A 43 16.990 -2.883 30.712 1.00 0.00 C ATOM 706 OG SER A 43 17.399 -2.473 32.003 1.00 0.00 O ATOM 0 H SER A 43 17.325 -4.913 31.997 1.00 0.00 H new ATOM 0 HA SER A 43 17.570 -4.352 29.233 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.022 -2.037 30.025 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.957 -3.231 30.741 1.00 0.00 H new ATOM 0 HG SER A 43 16.811 -1.756 32.320 1.00 0.00 H new ATOM 712 N GLY A 44 20.283 -3.934 30.827 1.00 0.00 N ATOM 713 CA GLY A 44 21.675 -3.538 30.685 1.00 0.00 C ATOM 714 C GLY A 44 22.443 -4.450 29.733 1.00 0.00 C ATOM 715 O GLY A 44 23.507 -4.074 29.251 1.00 0.00 O ATOM 0 H GLY A 44 20.109 -4.580 31.597 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.723 -2.512 30.320 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.156 -3.551 31.663 1.00 0.00 H new ATOM 719 N ASP A 45 21.911 -5.647 29.458 1.00 0.00 N ATOM 720 CA ASP A 45 22.543 -6.611 28.566 1.00 0.00 C ATOM 721 C ASP A 45 21.684 -6.884 27.334 1.00 0.00 C ATOM 722 O ASP A 45 22.107 -7.590 26.420 1.00 0.00 O ATOM 723 CB ASP A 45 22.827 -7.893 29.346 1.00 0.00 C ATOM 724 CG ASP A 45 23.850 -7.651 30.456 1.00 0.00 C ATOM 725 OD1 ASP A 45 25.059 -7.691 30.140 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.418 -7.431 31.610 1.00 0.00 O ATOM 0 H ASP A 45 21.027 -5.970 29.852 1.00 0.00 H new ATOM 0 HA ASP A 45 23.483 -6.197 28.200 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.901 -8.271 29.778 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.199 -8.660 28.667 1.00 0.00 H new ATOM 731 N VAL A 46 20.469 -6.329 27.291 1.00 0.00 N ATOM 732 CA VAL A 46 19.548 -6.586 26.197 1.00 0.00 C ATOM 733 C VAL A 46 20.001 -6.008 24.847 1.00 0.00 C ATOM 734 O VAL A 46 19.695 -6.621 23.828 1.00 0.00 O ATOM 735 CB VAL A 46 18.137 -6.121 26.596 1.00 0.00 C ATOM 736 CG1 VAL A 46 17.960 -4.605 26.570 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.101 -6.727 25.658 1.00 0.00 C ATOM 0 H VAL A 46 20.107 -5.699 28.006 1.00 0.00 H new ATOM 0 HA VAL A 46 19.534 -7.663 26.028 1.00 0.00 H new ATOM 0 HB VAL A 46 17.997 -6.458 27.623 1.00 0.00 H new ATOM 0 HG11 VAL A 46 16.941 -4.353 26.863 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.662 -4.145 27.266 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.151 -4.234 25.563 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.106 -6.391 25.949 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.306 -6.410 24.636 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.149 -7.814 25.717 1.00 0.00 H new ATOM 747 N PRO A 47 20.710 -4.866 24.765 1.00 0.00 N ATOM 748 CA PRO A 47 21.068 -4.305 23.470 1.00 0.00 C ATOM 749 C PRO A 47 22.247 -5.049 22.846 1.00 0.00 C ATOM 750 O PRO A 47 22.411 -5.034 21.626 1.00 0.00 O ATOM 751 CB PRO A 47 21.434 -2.853 23.763 1.00 0.00 C ATOM 752 CG PRO A 47 22.052 -2.941 25.155 1.00 0.00 C ATOM 753 CD PRO A 47 21.217 -4.020 25.838 1.00 0.00 C ATOM 0 HA PRO A 47 20.252 -4.389 22.753 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.138 -2.457 23.031 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.559 -2.203 23.748 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.106 -3.215 25.111 1.00 0.00 H new ATOM 0 HG3 PRO A 47 21.991 -1.990 25.684 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.820 -4.597 26.539 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.399 -3.579 26.409 1.00 0.00 H new ATOM 761 N ASP A 48 23.070 -5.704 23.670 1.00 0.00 N ATOM 762 CA ASP A 48 24.234 -6.421 23.180 1.00 0.00 C ATOM 763 C ASP A 48 23.829 -7.794 22.653 1.00 0.00 C ATOM 764 O ASP A 48 24.479 -8.331 21.757 1.00 0.00 O ATOM 765 CB ASP A 48 25.246 -6.550 24.318 1.00 0.00 C ATOM 766 CG ASP A 48 26.564 -7.137 23.822 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.285 -6.405 23.107 1.00 0.00 O ATOM 768 OD2 ASP A 48 26.845 -8.309 24.159 1.00 0.00 O ATOM 0 H ASP A 48 22.945 -5.748 24.681 1.00 0.00 H new ATOM 0 HA ASP A 48 24.687 -5.871 22.355 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.425 -5.570 24.761 1.00 0.00 H new ATOM 0 HB3 ASP A 48 24.835 -7.185 25.103 1.00 0.00 H new ATOM 773 N VAL A 49 22.754 -8.361 23.207 1.00 0.00 N ATOM 774 CA VAL A 49 22.263 -9.658 22.771 1.00 0.00 C ATOM 775 C VAL A 49 21.462 -9.514 21.477 1.00 0.00 C ATOM 776 O VAL A 49 21.407 -10.452 20.686 1.00 0.00 O ATOM 777 CB VAL A 49 21.450 -10.295 23.903 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.795 -11.593 23.444 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.373 -10.626 25.075 1.00 0.00 C ATOM 0 H VAL A 49 22.211 -7.937 23.959 1.00 0.00 H new ATOM 0 HA VAL A 49 23.098 -10.322 22.547 1.00 0.00 H new ATOM 0 HB VAL A 49 20.680 -9.583 24.201 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.225 -12.024 24.267 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.127 -11.387 22.608 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.565 -12.297 23.129 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.792 -11.079 25.879 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.143 -11.324 24.746 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.843 -9.712 25.438 1.00 0.00 H new ATOM 789 N VAL A 50 20.841 -8.350 21.240 1.00 0.00 N ATOM 790 CA VAL A 50 20.190 -8.087 19.959 1.00 0.00 C ATOM 791 C VAL A 50 21.262 -7.936 18.887 1.00 0.00 C ATOM 792 O VAL A 50 21.060 -8.360 17.753 1.00 0.00 O ATOM 793 CB VAL A 50 19.341 -6.813 20.045 1.00 0.00 C ATOM 794 CG1 VAL A 50 18.858 -6.373 18.664 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.103 -7.076 20.897 1.00 0.00 C ATOM 0 H VAL A 50 20.778 -7.586 21.913 1.00 0.00 H new ATOM 0 HA VAL A 50 19.531 -8.917 19.705 1.00 0.00 H new ATOM 0 HB VAL A 50 19.966 -6.034 20.482 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.259 -5.467 18.760 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.718 -6.174 18.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.252 -7.164 18.221 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.502 -6.168 20.956 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.513 -7.873 20.445 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.408 -7.375 21.900 1.00 0.00 H new ATOM 805 N GLN A 51 22.405 -7.340 19.239 1.00 0.00 N ATOM 806 CA GLN A 51 23.486 -7.167 18.285 1.00 0.00 C ATOM 807 C GLN A 51 24.132 -8.514 17.982 1.00 0.00 C ATOM 808 O GLN A 51 24.416 -8.805 16.824 1.00 0.00 O ATOM 809 CB GLN A 51 24.503 -6.166 18.840 1.00 0.00 C ATOM 810 CG GLN A 51 25.624 -5.917 17.824 1.00 0.00 C ATOM 811 CD GLN A 51 26.600 -4.844 18.296 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.451 -4.273 19.374 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.618 -4.560 17.489 1.00 0.00 N ATOM 0 H GLN A 51 22.598 -6.974 20.172 1.00 0.00 H new ATOM 0 HA GLN A 51 23.094 -6.769 17.349 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.004 -5.226 19.077 1.00 0.00 H new ATOM 0 HB3 GLN A 51 24.925 -6.546 19.770 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.166 -6.846 17.648 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.189 -5.616 16.871 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.716 -5.050 16.600 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.301 -3.852 17.759 1.00 0.00 H new ATOM 822 N GLU A 52 24.370 -9.349 18.999 1.00 0.00 N ATOM 823 CA GLU A 52 24.967 -10.654 18.757 1.00 0.00 C ATOM 824 C GLU A 52 23.986 -11.536 17.992 1.00 0.00 C ATOM 825 O GLU A 52 24.407 -12.411 17.239 1.00 0.00 O ATOM 826 CB GLU A 52 25.366 -11.300 20.085 1.00 0.00 C ATOM 827 CG GLU A 52 26.100 -12.617 19.829 1.00 0.00 C ATOM 828 CD GLU A 52 26.618 -13.258 21.115 1.00 0.00 C ATOM 829 OE1 GLU A 52 27.131 -12.512 21.977 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.495 -14.500 21.222 1.00 0.00 O ATOM 0 H GLU A 52 24.161 -9.145 19.976 1.00 0.00 H new ATOM 0 HA GLU A 52 25.866 -10.536 18.153 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.006 -10.622 20.650 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.479 -11.481 20.691 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.428 -13.312 19.326 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.937 -12.438 19.154 1.00 0.00 H new ATOM 837 N ALA A 53 22.679 -11.317 18.171 1.00 0.00 N ATOM 838 CA ALA A 53 21.684 -12.091 17.450 1.00 0.00 C ATOM 839 C ALA A 53 21.694 -11.713 15.974 1.00 0.00 C ATOM 840 O ALA A 53 21.479 -12.576 15.127 1.00 0.00 O ATOM 841 CB ALA A 53 20.304 -11.847 18.064 1.00 0.00 C ATOM 0 H ALA A 53 22.296 -10.615 18.804 1.00 0.00 H new ATOM 0 HA ALA A 53 21.921 -13.152 17.530 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.557 -12.428 17.523 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.312 -12.152 19.111 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.058 -10.787 17.997 1.00 0.00 H new ATOM 847 N PHE A 54 21.940 -10.440 15.648 1.00 0.00 N ATOM 848 CA PHE A 54 22.037 -10.012 14.259 1.00 0.00 C ATOM 849 C PHE A 54 23.359 -10.428 13.618 1.00 0.00 C ATOM 850 O PHE A 54 23.389 -10.731 12.427 1.00 0.00 O ATOM 851 CB PHE A 54 21.862 -8.493 14.185 1.00 0.00 C ATOM 852 CG PHE A 54 20.497 -7.980 14.596 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.351 -8.763 14.392 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.377 -6.707 15.174 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.094 -8.275 14.766 1.00 0.00 C ATOM 856 CE2 PHE A 54 19.112 -6.213 15.525 1.00 0.00 C ATOM 857 CZ PHE A 54 17.975 -6.998 15.325 1.00 0.00 C ATOM 0 H PHE A 54 22.075 -9.693 16.330 1.00 0.00 H new ATOM 0 HA PHE A 54 21.244 -10.505 13.697 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.614 -8.025 14.820 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.061 -8.170 13.163 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.439 -9.743 13.946 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.258 -6.108 15.349 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.214 -8.885 14.623 1.00 0.00 H new ATOM 0 HE2 PHE A 54 19.018 -5.225 15.950 1.00 0.00 H new ATOM 0 HZ PHE A 54 17.002 -6.619 15.602 1.00 0.00 H new ATOM 867 N ILE A 55 24.453 -10.457 14.385 1.00 0.00 N ATOM 868 CA ILE A 55 25.740 -10.889 13.847 1.00 0.00 C ATOM 869 C ILE A 55 25.703 -12.397 13.608 1.00 0.00 C ATOM 870 O ILE A 55 26.265 -12.891 12.631 1.00 0.00 O ATOM 871 CB ILE A 55 26.859 -10.505 14.825 1.00 0.00 C ATOM 872 CG1 ILE A 55 26.955 -8.980 14.954 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.202 -11.067 14.342 1.00 0.00 C ATOM 874 CD1 ILE A 55 27.912 -8.556 16.071 1.00 0.00 C ATOM 0 H ILE A 55 24.471 -10.189 15.369 1.00 0.00 H new ATOM 0 HA ILE A 55 25.938 -10.395 12.896 1.00 0.00 H new ATOM 0 HB ILE A 55 26.624 -10.930 15.801 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.293 -8.557 14.008 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.964 -8.570 15.151 1.00 0.00 H new ATOM 0 HG21 ILE A 55 28.987 -10.787 15.044 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.141 -12.153 14.280 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.434 -10.660 13.358 1.00 0.00 H new ATOM 0 HD11 ILE A 55 27.948 -7.468 16.126 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.561 -8.956 17.022 1.00 0.00 H new ATOM 0 HD13 ILE A 55 28.910 -8.942 15.862 1.00 0.00 H new ATOM 886 N LYS A 56 25.037 -13.132 14.504 1.00 0.00 N ATOM 887 CA LYS A 56 24.904 -14.575 14.399 1.00 0.00 C ATOM 888 C LYS A 56 23.855 -14.942 13.356 1.00 0.00 C ATOM 889 O LYS A 56 23.981 -15.965 12.686 1.00 0.00 O ATOM 890 CB LYS A 56 24.524 -15.098 15.785 1.00 0.00 C ATOM 891 CG LYS A 56 24.417 -16.621 15.831 1.00 0.00 C ATOM 892 CD LYS A 56 23.979 -17.069 17.227 1.00 0.00 C ATOM 893 CE LYS A 56 24.999 -16.633 18.280 1.00 0.00 C ATOM 894 NZ LYS A 56 24.565 -17.026 19.634 1.00 0.00 N ATOM 0 H LYS A 56 24.576 -12.735 15.323 1.00 0.00 H new ATOM 0 HA LYS A 56 25.840 -15.029 14.073 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.268 -14.768 16.510 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.571 -14.662 16.085 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.700 -16.967 15.087 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.378 -17.070 15.580 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.003 -16.644 17.461 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.868 -18.153 17.248 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.968 -17.082 18.060 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.132 -15.552 18.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.275 -16.718 20.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.652 -16.577 19.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.462 -18.060 19.679 1.00 0.00 H new ATOM 908 N ALA A 57 22.817 -14.112 13.213 1.00 0.00 N ATOM 909 CA ALA A 57 21.776 -14.369 12.237 1.00 0.00 C ATOM 910 C ALA A 57 22.344 -14.253 10.832 1.00 0.00 C ATOM 911 O ALA A 57 22.068 -15.104 10.000 1.00 0.00 O ATOM 912 CB ALA A 57 20.619 -13.389 12.428 1.00 0.00 C ATOM 0 H ALA A 57 22.683 -13.263 13.762 1.00 0.00 H new ATOM 0 HA ALA A 57 21.398 -15.381 12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.844 -13.593 11.689 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.205 -13.506 13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.982 -12.369 12.302 1.00 0.00 H new ATOM 918 N TYR A 58 23.138 -13.220 10.550 1.00 0.00 N ATOM 919 CA TYR A 58 23.654 -13.022 9.206 1.00 0.00 C ATOM 920 C TYR A 58 24.527 -14.198 8.770 1.00 0.00 C ATOM 921 O TYR A 58 24.503 -14.590 7.602 1.00 0.00 O ATOM 922 CB TYR A 58 24.465 -11.730 9.183 1.00 0.00 C ATOM 923 CG TYR A 58 24.937 -11.361 7.799 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.013 -10.946 6.831 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.302 -11.446 7.486 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.454 -10.596 5.548 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.749 -11.109 6.200 1.00 0.00 C ATOM 928 CZ TYR A 58 25.824 -10.680 5.225 1.00 0.00 C ATOM 929 OH TYR A 58 26.250 -10.347 3.974 1.00 0.00 O ATOM 0 H TYR A 58 23.432 -12.518 11.229 1.00 0.00 H new ATOM 0 HA TYR A 58 22.819 -12.956 8.509 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.858 -10.918 9.583 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.328 -11.836 9.840 1.00 0.00 H new ATOM 0 HD1 TYR A 58 22.962 -10.896 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.009 -11.771 8.235 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.744 -10.262 4.806 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.799 -11.178 5.957 1.00 0.00 H new ATOM 0 HH TYR A 58 27.222 -10.460 3.919 1.00 0.00 H new ATOM 939 N ARG A 59 25.294 -14.763 9.705 1.00 0.00 N ATOM 940 CA ARG A 59 26.166 -15.899 9.428 1.00 0.00 C ATOM 941 C ARG A 59 25.359 -17.179 9.217 1.00 0.00 C ATOM 942 O ARG A 59 25.859 -18.124 8.612 1.00 0.00 O ATOM 943 CB ARG A 59 27.141 -16.073 10.591 1.00 0.00 C ATOM 944 CG ARG A 59 28.065 -14.862 10.700 1.00 0.00 C ATOM 945 CD ARG A 59 28.861 -14.959 11.994 1.00 0.00 C ATOM 946 NE ARG A 59 29.825 -16.064 11.949 1.00 0.00 N ATOM 947 CZ ARG A 59 30.611 -16.413 12.972 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.567 -15.746 14.121 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.453 -17.437 12.844 1.00 0.00 N ATOM 0 H ARG A 59 25.326 -14.444 10.673 1.00 0.00 H new ATOM 0 HA ARG A 59 26.718 -15.703 8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.588 -16.200 11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.732 -16.977 10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.740 -14.826 9.845 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.482 -13.941 10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 59 29.388 -14.021 12.170 1.00 0.00 H new ATOM 0 HD3 ARG A 59 28.179 -15.103 12.832 1.00 0.00 H new ATOM 0 HE ARG A 59 29.900 -16.599 11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.928 -14.958 14.229 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.172 -16.022 14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.498 -17.954 11.966 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.053 -17.704 13.624 1.00 0.00 H new ATOM 963 N ALA A 60 24.118 -17.214 9.708 1.00 0.00 N ATOM 964 CA ALA A 60 23.232 -18.354 9.537 1.00 0.00 C ATOM 965 C ALA A 60 22.201 -18.091 8.435 1.00 0.00 C ATOM 966 O ALA A 60 21.511 -19.013 8.000 1.00 0.00 O ATOM 967 CB ALA A 60 22.560 -18.648 10.879 1.00 0.00 C ATOM 0 H ALA A 60 23.703 -16.446 10.237 1.00 0.00 H new ATOM 0 HA ALA A 60 23.806 -19.225 9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.890 -19.501 10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.321 -18.876 11.625 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.989 -17.776 11.199 1.00 0.00 H new ATOM 973 N LEU A 61 22.092 -16.840 7.982 1.00 0.00 N ATOM 974 CA LEU A 61 21.121 -16.429 6.983 1.00 0.00 C ATOM 975 C LEU A 61 21.557 -16.878 5.595 1.00 0.00 C ATOM 976 O LEU A 61 20.724 -17.067 4.711 1.00 0.00 O ATOM 977 CB LEU A 61 20.995 -14.905 7.044 1.00 0.00 C ATOM 978 CG LEU A 61 19.784 -14.396 6.267 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.490 -14.813 6.962 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.849 -12.878 6.229 1.00 0.00 C ATOM 0 H LEU A 61 22.687 -16.078 8.308 1.00 0.00 H new ATOM 0 HA LEU A 61 20.155 -16.892 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.916 -14.590 8.084 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.900 -14.451 6.641 1.00 0.00 H new ATOM 0 HG LEU A 61 19.796 -14.816 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.636 -14.442 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.442 -15.900 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.466 -14.395 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.992 -12.491 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.832 -12.488 7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.769 -12.565 5.735 1.00 0.00 H new ATOM 992 N ASP A 62 22.866 -17.054 5.402 1.00 0.00 N ATOM 993 CA ASP A 62 23.408 -17.562 4.150 1.00 0.00 C ATOM 994 C ASP A 62 23.033 -19.034 3.957 1.00 0.00 C ATOM 995 O ASP A 62 23.184 -19.581 2.864 1.00 0.00 O ATOM 996 CB ASP A 62 24.925 -17.373 4.175 1.00 0.00 C ATOM 997 CG ASP A 62 25.576 -17.779 2.852 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.247 -17.140 1.827 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.394 -18.724 2.876 1.00 0.00 O ATOM 0 H ASP A 62 23.573 -16.848 6.108 1.00 0.00 H new ATOM 0 HA ASP A 62 22.987 -17.013 3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.157 -16.329 4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.351 -17.965 4.985 1.00 0.00 H new ATOM 1004 N SER A 63 22.543 -19.673 5.027 1.00 0.00 N ATOM 1005 CA SER A 63 22.126 -21.065 5.011 1.00 0.00 C ATOM 1006 C SER A 63 20.617 -21.208 5.217 1.00 0.00 C ATOM 1007 O SER A 63 20.105 -22.323 5.247 1.00 0.00 O ATOM 1008 CB SER A 63 22.897 -21.830 6.089 1.00 0.00 C ATOM 1009 OG SER A 63 24.287 -21.744 5.844 1.00 0.00 O ATOM 0 H SER A 63 22.427 -19.225 5.936 1.00 0.00 H new ATOM 0 HA SER A 63 22.352 -21.485 4.031 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.667 -21.420 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 63 22.585 -22.874 6.098 1.00 0.00 H new ATOM 0 HG SER A 63 24.773 -22.235 6.539 1.00 0.00 H new ATOM 1015 N PHE A 64 19.893 -20.092 5.361 1.00 0.00 N ATOM 1016 CA PHE A 64 18.454 -20.133 5.560 1.00 0.00 C ATOM 1017 C PHE A 64 17.747 -20.523 4.264 1.00 0.00 C ATOM 1018 O PHE A 64 17.852 -19.827 3.254 1.00 0.00 O ATOM 1019 CB PHE A 64 17.961 -18.782 6.072 1.00 0.00 C ATOM 1020 CG PHE A 64 16.461 -18.715 6.271 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.797 -19.698 7.023 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.727 -17.664 5.699 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.410 -19.626 7.206 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.340 -17.592 5.885 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.680 -18.574 6.639 1.00 0.00 C ATOM 0 H PHE A 64 20.288 -19.152 5.342 1.00 0.00 H new ATOM 0 HA PHE A 64 18.219 -20.890 6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.454 -18.561 7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.260 -18.006 5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.357 -20.511 7.461 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.232 -16.909 5.114 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.903 -20.383 7.785 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.778 -16.780 5.448 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.611 -18.519 6.782 1.00 0.00 H new ATOM 1099 N PHE A 70 10.626 -15.097 7.853 1.00 0.00 N ATOM 1100 CA PHE A 70 11.911 -14.716 8.417 1.00 0.00 C ATOM 1101 C PHE A 70 11.811 -14.347 9.896 1.00 0.00 C ATOM 1102 O PHE A 70 12.768 -14.547 10.639 1.00 0.00 O ATOM 1103 CB PHE A 70 12.446 -13.529 7.618 1.00 0.00 C ATOM 1104 CG PHE A 70 13.669 -12.888 8.233 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.875 -13.597 8.298 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.595 -11.581 8.737 1.00 0.00 C ATOM 1107 CE1 PHE A 70 16.005 -12.993 8.866 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.726 -10.981 9.305 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.937 -11.682 9.361 1.00 0.00 C ATOM 0 HA PHE A 70 12.586 -15.569 8.352 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.689 -13.861 6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.660 -12.779 7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.934 -14.604 7.912 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.664 -11.036 8.687 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.934 -13.540 8.923 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.664 -9.978 9.700 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.815 -11.216 9.783 1.00 0.00 H new ATOM 1119 N TYR A 71 10.669 -13.811 10.340 1.00 0.00 N ATOM 1120 CA TYR A 71 10.557 -13.332 11.710 1.00 0.00 C ATOM 1121 C TYR A 71 10.613 -14.473 12.720 1.00 0.00 C ATOM 1122 O TYR A 71 11.209 -14.314 13.782 1.00 0.00 O ATOM 1123 CB TYR A 71 9.282 -12.500 11.877 1.00 0.00 C ATOM 1124 CG TYR A 71 7.984 -13.262 11.738 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.462 -13.960 12.839 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.295 -13.262 10.518 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.253 -14.664 12.720 1.00 0.00 C ATOM 1128 CE2 TYR A 71 6.083 -13.957 10.393 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.559 -14.661 11.495 1.00 0.00 C ATOM 1130 OH TYR A 71 4.383 -15.338 11.379 1.00 0.00 O ATOM 0 H TYR A 71 9.826 -13.702 9.777 1.00 0.00 H new ATOM 0 HA TYR A 71 11.417 -12.693 11.913 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.303 -12.029 12.860 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.293 -11.698 11.139 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.992 -13.955 13.780 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.698 -12.726 9.672 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.857 -15.206 13.566 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.552 -13.952 9.453 1.00 0.00 H new ATOM 0 HH TYR A 71 4.034 -15.233 10.469 1.00 0.00 H new ATOM 1140 N THR A 72 10.010 -15.626 12.412 1.00 0.00 N ATOM 1141 CA THR A 72 10.038 -16.746 13.345 1.00 0.00 C ATOM 1142 C THR A 72 11.447 -17.319 13.401 1.00 0.00 C ATOM 1143 O THR A 72 11.907 -17.718 14.466 1.00 0.00 O ATOM 1144 CB THR A 72 9.042 -17.825 12.916 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.738 -17.287 12.892 1.00 0.00 O ATOM 1146 CG2 THR A 72 9.062 -18.989 13.905 1.00 0.00 C ATOM 0 H THR A 72 9.508 -15.802 11.542 1.00 0.00 H new ATOM 0 HA THR A 72 9.751 -16.394 14.336 1.00 0.00 H new ATOM 0 HB THR A 72 9.325 -18.178 11.925 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.788 -16.308 12.887 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.348 -19.749 13.587 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.062 -19.421 13.938 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.790 -18.628 14.897 1.00 0.00 H new ATOM 1154 N TRP A 73 12.132 -17.363 12.260 1.00 0.00 N ATOM 1155 CA TRP A 73 13.475 -17.909 12.193 1.00 0.00 C ATOM 1156 C TRP A 73 14.465 -17.003 12.919 1.00 0.00 C ATOM 1157 O TRP A 73 15.419 -17.498 13.516 1.00 0.00 O ATOM 1158 CB TRP A 73 13.852 -18.067 10.722 1.00 0.00 C ATOM 1159 CG TRP A 73 15.262 -18.496 10.487 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.685 -19.767 10.312 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.461 -17.666 10.401 1.00 0.00 C ATOM 1162 NE1 TRP A 73 17.050 -19.786 10.122 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.581 -18.518 10.186 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.716 -16.282 10.500 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.886 -18.025 10.079 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 18.023 -15.782 10.400 1.00 0.00 C ATOM 1167 CH2 TRP A 73 19.102 -16.648 10.187 1.00 0.00 C ATOM 0 H TRP A 73 11.772 -17.024 11.368 1.00 0.00 H new ATOM 0 HA TRP A 73 13.508 -18.880 12.688 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.183 -18.796 10.265 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.685 -17.118 10.213 1.00 0.00 H new ATOM 0 HD1 TRP A 73 15.048 -20.639 10.320 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.596 -20.631 9.955 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.894 -15.598 10.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.714 -18.698 9.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.198 -14.720 10.488 1.00 0.00 H new ATOM 0 HH2 TRP A 73 20.103 -16.252 10.106 1.00 0.00 H new ATOM 1178 N LEU A 74 14.250 -15.683 12.881 1.00 0.00 N ATOM 1179 CA LEU A 74 15.141 -14.723 13.513 1.00 0.00 C ATOM 1180 C LEU A 74 14.927 -14.683 15.025 1.00 0.00 C ATOM 1181 O LEU A 74 15.885 -14.523 15.778 1.00 0.00 O ATOM 1182 CB LEU A 74 14.879 -13.345 12.906 1.00 0.00 C ATOM 1183 CG LEU A 74 15.775 -12.272 13.534 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.250 -12.529 13.218 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.381 -10.906 12.985 1.00 0.00 C ATOM 0 H LEU A 74 13.452 -15.258 12.410 1.00 0.00 H new ATOM 0 HA LEU A 74 16.174 -15.022 13.336 1.00 0.00 H new ATOM 0 HB2 LEU A 74 15.053 -13.381 11.831 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.833 -13.076 13.050 1.00 0.00 H new ATOM 0 HG LEU A 74 15.641 -12.303 14.615 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.861 -11.752 13.677 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.543 -13.502 13.614 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.398 -12.517 12.138 1.00 0.00 H new ATOM 0 HD21 LEU A 74 16.016 -10.139 13.429 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.506 -10.899 11.902 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.339 -10.702 13.231 1.00 0.00 H new ATOM 1197 N TYR A 75 13.681 -14.826 15.478 1.00 0.00 N ATOM 1198 CA TYR A 75 13.382 -14.768 16.902 1.00 0.00 C ATOM 1199 C TYR A 75 13.929 -15.983 17.646 1.00 0.00 C ATOM 1200 O TYR A 75 14.096 -15.920 18.861 1.00 0.00 O ATOM 1201 CB TYR A 75 11.879 -14.581 17.108 1.00 0.00 C ATOM 1202 CG TYR A 75 11.345 -13.252 16.610 1.00 0.00 C ATOM 1203 CD1 TYR A 75 12.158 -12.107 16.617 1.00 0.00 C ATOM 1204 CD2 TYR A 75 10.025 -13.163 16.139 1.00 0.00 C ATOM 1205 CE1 TYR A 75 11.663 -10.876 16.173 1.00 0.00 C ATOM 1206 CE2 TYR A 75 9.520 -11.935 15.683 1.00 0.00 C ATOM 1207 CZ TYR A 75 10.339 -10.789 15.691 1.00 0.00 C ATOM 1208 OH TYR A 75 9.851 -9.603 15.233 1.00 0.00 O ATOM 0 H TYR A 75 12.869 -14.982 14.880 1.00 0.00 H new ATOM 0 HA TYR A 75 13.890 -13.905 17.332 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.351 -15.386 16.598 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.655 -14.675 18.170 1.00 0.00 H new ATOM 0 HD1 TYR A 75 13.177 -12.177 16.969 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.397 -14.041 16.128 1.00 0.00 H new ATOM 0 HE1 TYR A 75 12.290 -9.997 16.199 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.503 -11.869 15.326 1.00 0.00 H new ATOM 0 HH TYR A 75 10.434 -9.262 14.523 1.00 0.00 H new ATOM 1218 N ARG A 76 14.211 -17.079 16.938 1.00 0.00 N ATOM 1219 CA ARG A 76 14.880 -18.220 17.550 1.00 0.00 C ATOM 1220 C ARG A 76 16.367 -17.932 17.731 1.00 0.00 C ATOM 1221 O ARG A 76 17.001 -18.530 18.592 1.00 0.00 O ATOM 1222 CB ARG A 76 14.667 -19.469 16.693 1.00 0.00 C ATOM 1223 CG ARG A 76 13.193 -19.868 16.567 1.00 0.00 C ATOM 1224 CD ARG A 76 12.575 -20.345 17.883 1.00 0.00 C ATOM 1225 NE ARG A 76 12.259 -19.233 18.788 1.00 0.00 N ATOM 1226 CZ ARG A 76 11.207 -18.421 18.652 1.00 0.00 C ATOM 1227 NH1 ARG A 76 10.341 -18.585 17.656 1.00 0.00 N ATOM 1228 NH2 ARG A 76 11.016 -17.431 19.518 1.00 0.00 N ATOM 0 H ARG A 76 13.987 -17.197 15.950 1.00 0.00 H new ATOM 0 HA ARG A 76 14.449 -18.397 18.535 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.076 -19.294 15.698 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.226 -20.299 17.126 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.624 -19.015 16.196 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.101 -20.660 15.824 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.666 -20.907 17.671 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.265 -21.029 18.378 1.00 0.00 H new ATOM 0 HE ARG A 76 12.886 -19.069 19.575 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.475 -19.339 16.982 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.543 -17.957 17.566 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.673 -17.291 20.286 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.213 -16.811 19.415 1.00 0.00 H new ATOM 1242 N ILE A 77 16.932 -17.018 16.935 1.00 0.00 N ATOM 1243 CA ILE A 77 18.328 -16.632 17.097 1.00 0.00 C ATOM 1244 C ILE A 77 18.479 -15.761 18.340 1.00 0.00 C ATOM 1245 O ILE A 77 19.484 -15.851 19.040 1.00 0.00 O ATOM 1246 CB ILE A 77 18.838 -15.867 15.866 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.513 -16.544 14.527 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.353 -15.670 15.988 1.00 0.00 C ATOM 1249 CD1 ILE A 77 19.095 -17.948 14.381 1.00 0.00 C ATOM 0 H ILE A 77 16.444 -16.538 16.179 1.00 0.00 H new ATOM 0 HA ILE A 77 18.922 -17.539 17.207 1.00 0.00 H new ATOM 0 HB ILE A 77 18.313 -14.912 15.856 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.430 -16.597 14.412 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.889 -15.920 13.716 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.721 -15.128 15.117 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.574 -15.100 16.890 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.843 -16.642 16.043 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.820 -18.356 13.408 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.181 -17.902 14.462 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.700 -18.589 15.169 1.00 0.00 H new ATOM 1261 N ALA A 78 17.483 -14.916 18.620 1.00 0.00 N ATOM 1262 CA ALA A 78 17.568 -13.951 19.702 1.00 0.00 C ATOM 1263 C ALA A 78 17.416 -14.604 21.072 1.00 0.00 C ATOM 1264 O ALA A 78 18.115 -14.230 22.013 1.00 0.00 O ATOM 1265 CB ALA A 78 16.502 -12.880 19.490 1.00 0.00 C ATOM 0 H ALA A 78 16.604 -14.887 18.103 1.00 0.00 H new ATOM 0 HA ALA A 78 18.560 -13.499 19.686 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.555 -12.149 20.297 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.672 -12.381 18.536 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.516 -13.344 19.486 1.00 0.00 H new ATOM 1271 N VAL A 79 16.511 -15.582 21.203 1.00 0.00 N ATOM 1272 CA VAL A 79 16.288 -16.235 22.489 1.00 0.00 C ATOM 1273 C VAL A 79 17.359 -17.284 22.774 1.00 0.00 C ATOM 1274 O VAL A 79 17.680 -17.530 23.936 1.00 0.00 O ATOM 1275 CB VAL A 79 14.869 -16.813 22.543 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.662 -17.905 21.498 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.593 -17.420 23.916 1.00 0.00 C ATOM 0 H VAL A 79 15.930 -15.932 20.441 1.00 0.00 H new ATOM 0 HA VAL A 79 16.373 -15.492 23.282 1.00 0.00 H new ATOM 0 HB VAL A 79 14.186 -15.987 22.342 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.644 -18.289 21.569 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.825 -17.492 20.503 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.368 -18.716 21.674 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.582 -17.826 23.938 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.309 -18.219 24.111 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.691 -16.650 24.681 1.00 0.00 H new ATOM 1287 N ASN A 80 17.927 -17.909 21.739 1.00 0.00 N ATOM 1288 CA ASN A 80 18.985 -18.887 21.937 1.00 0.00 C ATOM 1289 C ASN A 80 20.303 -18.193 22.270 1.00 0.00 C ATOM 1290 O ASN A 80 21.183 -18.800 22.876 1.00 0.00 O ATOM 1291 CB ASN A 80 19.130 -19.760 20.686 1.00 0.00 C ATOM 1292 CG ASN A 80 17.950 -20.702 20.476 1.00 0.00 C ATOM 1293 OD1 ASN A 80 17.036 -20.774 21.293 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.963 -21.437 19.367 1.00 0.00 N ATOM 0 H ASN A 80 17.670 -17.753 20.764 1.00 0.00 H new ATOM 0 HA ASN A 80 18.720 -19.526 22.779 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.235 -19.118 19.812 1.00 0.00 H new ATOM 0 HB3 ASN A 80 20.046 -20.346 20.763 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.198 -22.084 19.175 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.738 -21.353 18.709 1.00 0.00 H new ATOM 1301 N THR A 81 20.447 -16.924 21.881 1.00 0.00 N ATOM 1302 CA THR A 81 21.651 -16.161 22.183 1.00 0.00 C ATOM 1303 C THR A 81 21.573 -15.583 23.594 1.00 0.00 C ATOM 1304 O THR A 81 22.605 -15.392 24.227 1.00 0.00 O ATOM 1305 CB THR A 81 21.851 -15.064 21.134 1.00 0.00 C ATOM 1306 OG1 THR A 81 22.020 -15.663 19.871 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.106 -14.246 21.419 1.00 0.00 C ATOM 0 H THR A 81 19.742 -16.407 21.356 1.00 0.00 H new ATOM 0 HA THR A 81 22.516 -16.823 22.146 1.00 0.00 H new ATOM 0 HB THR A 81 20.977 -14.413 21.161 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.143 -15.894 19.498 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.219 -13.476 20.656 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.020 -13.776 22.399 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.978 -14.900 21.406 1.00 0.00 H new ATOM 1315 N ALA A 82 20.364 -15.305 24.095 1.00 0.00 N ATOM 1316 CA ALA A 82 20.195 -14.754 25.431 1.00 0.00 C ATOM 1317 C ALA A 82 20.416 -15.826 26.495 1.00 0.00 C ATOM 1318 O ALA A 82 20.911 -15.528 27.582 1.00 0.00 O ATOM 1319 CB ALA A 82 18.794 -14.162 25.545 1.00 0.00 C ATOM 0 H ALA A 82 19.491 -15.455 23.589 1.00 0.00 H new ATOM 0 HA ALA A 82 20.937 -13.973 25.596 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.655 -13.746 26.543 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.671 -13.374 24.802 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.054 -14.943 25.372 1.00 0.00 H new ATOM 1325 N LYS A 83 20.059 -17.078 26.190 1.00 0.00 N ATOM 1326 CA LYS A 83 20.294 -18.183 27.109 1.00 0.00 C ATOM 1327 C LYS A 83 21.764 -18.595 27.061 1.00 0.00 C ATOM 1328 O LYS A 83 22.305 -19.067 28.060 1.00 0.00 O ATOM 1329 CB LYS A 83 19.368 -19.343 26.744 1.00 0.00 C ATOM 1330 CG LYS A 83 17.914 -18.974 27.050 1.00 0.00 C ATOM 1331 CD LYS A 83 16.977 -20.102 26.616 1.00 0.00 C ATOM 1332 CE LYS A 83 15.527 -19.775 26.962 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.310 -19.746 28.425 1.00 0.00 N ATOM 0 H LYS A 83 19.608 -17.345 25.315 1.00 0.00 H new ATOM 0 HA LYS A 83 20.073 -17.877 28.131 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.475 -19.585 25.686 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.651 -20.234 27.305 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.797 -18.785 28.117 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.649 -18.052 26.532 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.070 -20.264 25.542 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.270 -21.031 27.105 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.259 -18.809 26.535 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.868 -20.517 26.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.289 -19.742 28.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.744 -20.587 28.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.744 -18.889 28.823 1.00 0.00 H new ATOM 1347 N ASN A 84 22.415 -18.412 25.910 1.00 0.00 N ATOM 1348 CA ASN A 84 23.837 -18.685 25.773 1.00 0.00 C ATOM 1349 C ASN A 84 24.653 -17.566 26.422 1.00 0.00 C ATOM 1350 O ASN A 84 25.794 -17.785 26.825 1.00 0.00 O ATOM 1351 CB ASN A 84 24.169 -18.821 24.284 1.00 0.00 C ATOM 1352 CG ASN A 84 25.639 -19.153 24.062 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.040 -20.312 24.141 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.453 -18.139 23.782 1.00 0.00 N ATOM 0 H ASN A 84 21.971 -18.073 25.057 1.00 0.00 H new ATOM 0 HA ASN A 84 24.092 -19.615 26.281 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.549 -19.602 23.843 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.924 -17.891 23.770 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.446 -18.311 23.625 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.084 -17.190 23.725 1.00 0.00 H new