USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 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+ -132:sc= -0.0815 (180deg=-0.414) USER MOD Set 1.2: A 81 THR OG1 : rot 83:sc= 0.756 USER MOD Single : A 6 THR OG1 : rot 33:sc= 0.265 USER MOD Single : A 8 GLN : amide:sc= 0.633 K(o=0.63,f=-0.028) USER MOD Single : A 15 GLN : amide:sc= 0.722 K(o=0.72,f=-1.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.933 X(o=-0.93,f=-1.3) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0375 X(o=-0.037,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0101 X(o=-0.01,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+ -170:sc= 0 (180deg=-0.128) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -31:sc= 0.224 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -22:sc= 0.14 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -39:sc= 0.398 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 35:sc= 1.46 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00931 K(o=-0.0093,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ -167:sc=-0.00988 (180deg=-0.17) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 9.958 -6.983 0.846 1.00 0.00 N ATOM 83 CA THR A 6 9.605 -7.705 2.062 1.00 0.00 C ATOM 84 C THR A 6 10.787 -8.563 2.517 1.00 0.00 C ATOM 85 O THR A 6 11.787 -8.658 1.805 1.00 0.00 O ATOM 86 CB THR A 6 8.360 -8.562 1.787 1.00 0.00 C ATOM 87 OG1 THR A 6 7.348 -7.765 1.211 1.00 0.00 O ATOM 88 CG2 THR A 6 7.803 -9.169 3.068 1.00 0.00 C ATOM 0 HA THR A 6 9.376 -7.005 2.866 1.00 0.00 H new ATOM 0 HB THR A 6 8.661 -9.362 1.111 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.756 -7.073 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.923 -9.768 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.561 -9.802 3.530 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.526 -8.372 3.758 1.00 0.00 H new ATOM 96 N ASP A 7 10.690 -9.190 3.692 1.00 0.00 N ATOM 97 CA ASP A 7 11.743 -10.050 4.223 1.00 0.00 C ATOM 98 C ASP A 7 12.118 -11.163 3.243 1.00 0.00 C ATOM 99 O ASP A 7 13.179 -11.768 3.379 1.00 0.00 O ATOM 100 CB ASP A 7 11.285 -10.639 5.559 1.00 0.00 C ATOM 101 CG ASP A 7 10.054 -11.528 5.404 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.231 -12.695 4.985 1.00 0.00 O ATOM 103 OD2 ASP A 7 8.945 -11.036 5.708 1.00 0.00 O ATOM 0 H ASP A 7 9.876 -9.113 4.301 1.00 0.00 H new ATOM 0 HA ASP A 7 12.638 -9.446 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.098 -11.219 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.062 -9.829 6.254 1.00 0.00 H new ATOM 108 N GLN A 8 11.262 -11.438 2.256 1.00 0.00 N ATOM 109 CA GLN A 8 11.547 -12.431 1.236 1.00 0.00 C ATOM 110 C GLN A 8 12.727 -11.981 0.375 1.00 0.00 C ATOM 111 O GLN A 8 13.683 -12.728 0.188 1.00 0.00 O ATOM 112 CB GLN A 8 10.295 -12.632 0.374 1.00 0.00 C ATOM 113 CG GLN A 8 10.561 -13.537 -0.834 1.00 0.00 C ATOM 114 CD GLN A 8 10.975 -14.947 -0.432 1.00 0.00 C ATOM 115 OE1 GLN A 8 10.141 -15.839 -0.328 1.00 0.00 O ATOM 116 NE2 GLN A 8 12.269 -15.167 -0.203 1.00 0.00 N ATOM 0 H GLN A 8 10.358 -10.977 2.148 1.00 0.00 H new ATOM 0 HA GLN A 8 11.816 -13.376 1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.503 -13.067 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.936 -11.663 0.027 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.663 -13.588 -1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.344 -13.094 -1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.940 -14.405 -0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.588 -16.097 0.067 1.00 0.00 H new ATOM 125 N VAL A 9 12.660 -10.755 -0.145 1.00 0.00 N ATOM 126 CA VAL A 9 13.676 -10.224 -1.044 1.00 0.00 C ATOM 127 C VAL A 9 14.827 -9.603 -0.260 1.00 0.00 C ATOM 128 O VAL A 9 15.951 -9.550 -0.756 1.00 0.00 O ATOM 129 CB VAL A 9 13.023 -9.232 -2.015 1.00 0.00 C ATOM 130 CG1 VAL A 9 12.112 -8.249 -1.285 1.00 0.00 C ATOM 131 CG2 VAL A 9 14.065 -8.436 -2.807 1.00 0.00 C ATOM 0 H VAL A 9 11.898 -10.105 0.047 1.00 0.00 H new ATOM 0 HA VAL A 9 14.109 -11.035 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 9 12.431 -9.833 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.667 -7.562 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.323 -8.797 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.695 -7.685 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.559 -7.746 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.694 -7.873 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.684 -9.122 -3.386 1.00 0.00 H new ATOM 141 N LEU A 10 14.567 -9.132 0.962 1.00 0.00 N ATOM 142 CA LEU A 10 15.617 -8.590 1.807 1.00 0.00 C ATOM 143 C LEU A 10 16.565 -9.703 2.257 1.00 0.00 C ATOM 144 O LEU A 10 17.745 -9.440 2.474 1.00 0.00 O ATOM 145 CB LEU A 10 14.981 -7.888 3.008 1.00 0.00 C ATOM 146 CG LEU A 10 14.815 -6.383 2.779 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.046 -6.066 1.498 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.071 -5.774 3.966 1.00 0.00 C ATOM 0 H LEU A 10 13.638 -9.118 1.382 1.00 0.00 H new ATOM 0 HA LEU A 10 16.204 -7.864 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.007 -8.332 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.598 -8.053 3.891 1.00 0.00 H new ATOM 0 HG LEU A 10 15.813 -5.957 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.957 -4.986 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.580 -6.478 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.051 -6.508 1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 10 13.950 -4.702 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.090 -6.240 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.641 -5.944 4.879 1.00 0.00 H new ATOM 160 N VAL A 11 16.070 -10.936 2.395 1.00 0.00 N ATOM 161 CA VAL A 11 16.928 -12.046 2.783 1.00 0.00 C ATOM 162 C VAL A 11 17.630 -12.625 1.559 1.00 0.00 C ATOM 163 O VAL A 11 18.718 -13.181 1.681 1.00 0.00 O ATOM 164 CB VAL A 11 16.116 -13.101 3.545 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.950 -14.359 3.780 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.724 -12.546 4.915 1.00 0.00 C ATOM 0 H VAL A 11 15.092 -11.184 2.245 1.00 0.00 H new ATOM 0 HA VAL A 11 17.705 -11.686 3.458 1.00 0.00 H new ATOM 0 HB VAL A 11 15.236 -13.345 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.355 -15.094 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.257 -14.776 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.834 -14.105 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.147 -13.294 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.624 -12.301 5.479 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.122 -11.647 4.785 1.00 0.00 H new ATOM 176 N GLU A 12 17.035 -12.508 0.368 1.00 0.00 N ATOM 177 CA GLU A 12 17.709 -12.967 -0.838 1.00 0.00 C ATOM 178 C GLU A 12 18.835 -12.006 -1.204 1.00 0.00 C ATOM 179 O GLU A 12 19.881 -12.434 -1.689 1.00 0.00 O ATOM 180 CB GLU A 12 16.714 -13.043 -1.994 1.00 0.00 C ATOM 181 CG GLU A 12 15.778 -14.243 -1.853 1.00 0.00 C ATOM 182 CD GLU A 12 14.823 -14.320 -3.046 1.00 0.00 C ATOM 183 OE1 GLU A 12 15.218 -14.931 -4.065 1.00 0.00 O ATOM 184 OE2 GLU A 12 13.707 -13.765 -2.928 1.00 0.00 O ATOM 0 H GLU A 12 16.109 -12.108 0.219 1.00 0.00 H new ATOM 0 HA GLU A 12 18.125 -13.957 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.127 -12.125 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.256 -13.112 -2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.362 -15.161 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.208 -14.160 -0.928 1.00 0.00 H new ATOM 191 N ARG A 13 18.636 -10.708 -0.974 1.00 0.00 N ATOM 192 CA ARG A 13 19.611 -9.701 -1.362 1.00 0.00 C ATOM 193 C ARG A 13 20.865 -9.762 -0.493 1.00 0.00 C ATOM 194 O ARG A 13 21.965 -9.520 -0.989 1.00 0.00 O ATOM 195 CB ARG A 13 18.933 -8.332 -1.315 1.00 0.00 C ATOM 196 CG ARG A 13 19.894 -7.246 -1.781 1.00 0.00 C ATOM 197 CD ARG A 13 19.143 -5.956 -2.100 1.00 0.00 C ATOM 198 NE ARG A 13 20.037 -4.997 -2.755 1.00 0.00 N ATOM 199 CZ ARG A 13 19.661 -3.805 -3.221 1.00 0.00 C ATOM 200 NH1 ARG A 13 18.410 -3.373 -3.067 1.00 0.00 N ATOM 201 NH2 ARG A 13 20.546 -3.034 -3.846 1.00 0.00 N ATOM 0 H ARG A 13 17.804 -10.333 -0.519 1.00 0.00 H new ATOM 0 HA ARG A 13 19.954 -9.893 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.046 -8.337 -1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.599 -8.119 -0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.638 -7.057 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.433 -7.586 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.293 -6.172 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.743 -5.523 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 13 21.017 -5.260 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.724 -3.956 -2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 13 18.138 -2.459 -3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.507 -3.355 -3.967 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.264 -2.122 -4.204 1.00 0.00 H new ATOM 215 N VAL A 14 20.723 -10.087 0.795 1.00 0.00 N ATOM 216 CA VAL A 14 21.881 -10.224 1.675 1.00 0.00 C ATOM 217 C VAL A 14 22.636 -11.521 1.397 1.00 0.00 C ATOM 218 O VAL A 14 23.825 -11.613 1.686 1.00 0.00 O ATOM 219 CB VAL A 14 21.452 -10.150 3.139 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.769 -8.815 3.412 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.502 -11.274 3.518 1.00 0.00 C ATOM 0 H VAL A 14 19.824 -10.258 1.246 1.00 0.00 H new ATOM 0 HA VAL A 14 22.559 -9.395 1.471 1.00 0.00 H new ATOM 0 HB VAL A 14 22.354 -10.250 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.466 -8.769 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.462 -8.001 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.890 -8.719 2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.226 -11.178 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.606 -11.217 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.992 -12.234 3.358 1.00 0.00 H new ATOM 231 N GLN A 15 21.956 -12.528 0.833 1.00 0.00 N ATOM 232 CA GLN A 15 22.608 -13.761 0.411 1.00 0.00 C ATOM 233 C GLN A 15 23.355 -13.538 -0.908 1.00 0.00 C ATOM 234 O GLN A 15 24.206 -14.342 -1.281 1.00 0.00 O ATOM 235 CB GLN A 15 21.563 -14.867 0.253 1.00 0.00 C ATOM 236 CG GLN A 15 20.995 -15.305 1.606 1.00 0.00 C ATOM 237 CD GLN A 15 19.904 -16.358 1.438 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.505 -16.685 0.322 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.402 -16.911 2.541 1.00 0.00 N ATOM 0 H GLN A 15 20.951 -12.506 0.661 1.00 0.00 H new ATOM 0 HA GLN A 15 23.331 -14.063 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.753 -14.514 -0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.013 -15.724 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.797 -15.706 2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.589 -14.439 2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.747 -16.625 3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.672 -17.620 2.469 1.00 0.00 H new ATOM 248 N LYS A 16 23.038 -12.442 -1.608 1.00 0.00 N ATOM 249 CA LYS A 16 23.688 -12.063 -2.856 1.00 0.00 C ATOM 250 C LYS A 16 24.874 -11.123 -2.627 1.00 0.00 C ATOM 251 O LYS A 16 25.500 -10.682 -3.585 1.00 0.00 O ATOM 252 CB LYS A 16 22.640 -11.472 -3.800 1.00 0.00 C ATOM 253 CG LYS A 16 21.717 -12.592 -4.279 1.00 0.00 C ATOM 254 CD LYS A 16 20.523 -12.020 -5.036 1.00 0.00 C ATOM 255 CE LYS A 16 19.555 -13.154 -5.366 1.00 0.00 C ATOM 256 NZ LYS A 16 18.374 -12.660 -6.093 1.00 0.00 N ATOM 0 H LYS A 16 22.312 -11.788 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 16 24.115 -12.951 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.063 -10.702 -3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.126 -10.994 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 16 22.270 -13.275 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.368 -13.173 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.023 -11.262 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.856 -11.531 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.065 -13.906 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.238 -13.643 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.737 -13.455 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.874 -11.960 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.675 -12.215 -6.983 1.00 0.00 H new ATOM 270 N GLY A 17 25.187 -10.815 -1.363 1.00 0.00 N ATOM 271 CA GLY A 17 26.383 -10.061 -1.005 1.00 0.00 C ATOM 272 C GLY A 17 26.099 -8.606 -0.632 1.00 0.00 C ATOM 273 O GLY A 17 27.029 -7.870 -0.312 1.00 0.00 O ATOM 0 H GLY A 17 24.615 -11.084 -0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.875 -10.553 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 17 27.081 -10.083 -1.842 1.00 0.00 H new ATOM 277 N ASP A 18 24.833 -8.177 -0.662 1.00 0.00 N ATOM 278 CA ASP A 18 24.467 -6.820 -0.288 1.00 0.00 C ATOM 279 C ASP A 18 24.120 -6.782 1.200 1.00 0.00 C ATOM 280 O ASP A 18 22.953 -6.863 1.583 1.00 0.00 O ATOM 281 CB ASP A 18 23.292 -6.357 -1.154 1.00 0.00 C ATOM 282 CG ASP A 18 23.720 -5.808 -2.512 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.885 -6.042 -2.908 1.00 0.00 O ATOM 284 OD2 ASP A 18 22.866 -5.148 -3.150 1.00 0.00 O ATOM 0 H ASP A 18 24.045 -8.759 -0.944 1.00 0.00 H new ATOM 0 HA ASP A 18 25.301 -6.139 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.611 -7.194 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.736 -5.588 -0.618 1.00 0.00 H new ATOM 289 N GLN A 19 25.148 -6.655 2.046 1.00 0.00 N ATOM 290 CA GLN A 19 24.977 -6.608 3.491 1.00 0.00 C ATOM 291 C GLN A 19 24.194 -5.357 3.896 1.00 0.00 C ATOM 292 O GLN A 19 23.624 -5.296 4.979 1.00 0.00 O ATOM 293 CB GLN A 19 26.371 -6.670 4.126 1.00 0.00 C ATOM 294 CG GLN A 19 26.372 -6.962 5.634 1.00 0.00 C ATOM 295 CD GLN A 19 26.021 -5.753 6.497 1.00 0.00 C ATOM 296 OE1 GLN A 19 25.096 -5.800 7.302 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.761 -4.659 6.341 1.00 0.00 N ATOM 0 H GLN A 19 26.119 -6.582 1.742 1.00 0.00 H new ATOM 0 HA GLN A 19 24.391 -7.455 3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.953 -7.440 3.619 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.878 -5.721 3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.661 -7.762 5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.357 -7.329 5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 19 27.523 -4.651 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.566 -3.828 6.899 1.00 0.00 H new ATOM 306 N LYS A 20 24.162 -4.349 3.019 1.00 0.00 N ATOM 307 CA LYS A 20 23.411 -3.121 3.252 1.00 0.00 C ATOM 308 C LYS A 20 21.917 -3.397 3.379 1.00 0.00 C ATOM 309 O LYS A 20 21.205 -2.616 4.005 1.00 0.00 O ATOM 310 CB LYS A 20 23.696 -2.155 2.096 1.00 0.00 C ATOM 311 CG LYS A 20 23.251 -2.730 0.749 1.00 0.00 C ATOM 312 CD LYS A 20 23.751 -1.835 -0.384 1.00 0.00 C ATOM 313 CE LYS A 20 23.323 -2.410 -1.731 1.00 0.00 C ATOM 314 NZ LYS A 20 23.851 -1.602 -2.847 1.00 0.00 N ATOM 0 H LYS A 20 24.658 -4.366 2.128 1.00 0.00 H new ATOM 0 HA LYS A 20 23.728 -2.675 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.181 -1.211 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.763 -1.934 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.642 -3.740 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.164 -2.803 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.352 -0.828 -0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.837 -1.754 -0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.679 -3.436 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 20 22.235 -2.444 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 23.545 -2.016 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.491 -0.629 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 24.890 -1.591 -2.806 1.00 0.00 H new ATOM 328 N ALA A 21 21.436 -4.498 2.798 1.00 0.00 N ATOM 329 CA ALA A 21 20.032 -4.862 2.908 1.00 0.00 C ATOM 330 C ALA A 21 19.762 -5.565 4.238 1.00 0.00 C ATOM 331 O ALA A 21 18.614 -5.636 4.669 1.00 0.00 O ATOM 332 CB ALA A 21 19.632 -5.739 1.720 1.00 0.00 C ATOM 0 H ALA A 21 22.000 -5.147 2.250 1.00 0.00 H new ATOM 0 HA ALA A 21 19.423 -3.958 2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.580 -6.010 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.791 -5.189 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.240 -6.644 1.714 1.00 0.00 H new ATOM 338 N PHE A 22 20.807 -6.080 4.891 1.00 0.00 N ATOM 339 CA PHE A 22 20.651 -6.716 6.186 1.00 0.00 C ATOM 340 C PHE A 22 20.513 -5.640 7.253 1.00 0.00 C ATOM 341 O PHE A 22 19.754 -5.798 8.201 1.00 0.00 O ATOM 342 CB PHE A 22 21.850 -7.616 6.482 1.00 0.00 C ATOM 343 CG PHE A 22 21.697 -8.398 7.765 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.668 -9.344 7.881 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.574 -8.181 8.835 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.519 -10.075 9.068 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.422 -8.908 10.023 1.00 0.00 C ATOM 348 CZ PHE A 22 21.396 -9.855 10.140 1.00 0.00 C ATOM 0 H PHE A 22 21.764 -6.065 4.539 1.00 0.00 H new ATOM 0 HA PHE A 22 19.756 -7.338 6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.989 -8.311 5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.751 -7.005 6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 22 19.991 -9.509 7.056 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.367 -7.454 8.744 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.730 -10.807 9.157 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.096 -8.738 10.849 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.281 -10.416 11.056 1.00 0.00 H new ATOM 358 N ASN A 23 21.248 -4.537 7.101 1.00 0.00 N ATOM 359 CA ASN A 23 21.172 -3.426 8.033 1.00 0.00 C ATOM 360 C ASN A 23 19.758 -2.848 8.037 1.00 0.00 C ATOM 361 O ASN A 23 19.227 -2.498 9.089 1.00 0.00 O ATOM 362 CB ASN A 23 22.186 -2.381 7.577 1.00 0.00 C ATOM 363 CG ASN A 23 21.954 -1.031 8.240 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.381 -0.800 9.367 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.266 -0.136 7.537 1.00 0.00 N ATOM 0 H ASN A 23 21.905 -4.395 6.334 1.00 0.00 H new ATOM 0 HA ASN A 23 21.398 -3.749 9.049 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.193 -2.729 7.807 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.127 -2.268 6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.075 0.785 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 23 20.930 -0.370 6.603 1.00 0.00 H new ATOM 372 N LEU A 24 19.150 -2.753 6.851 1.00 0.00 N ATOM 373 CA LEU A 24 17.787 -2.261 6.711 1.00 0.00 C ATOM 374 C LEU A 24 16.766 -3.319 7.131 1.00 0.00 C ATOM 375 O LEU A 24 15.617 -2.985 7.418 1.00 0.00 O ATOM 376 CB LEU A 24 17.564 -1.851 5.254 1.00 0.00 C ATOM 377 CG LEU A 24 18.493 -0.711 4.819 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.320 -0.477 3.320 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.171 0.582 5.568 1.00 0.00 C ATOM 0 H LEU A 24 19.590 -3.015 5.969 1.00 0.00 H new ATOM 0 HA LEU A 24 17.649 -1.402 7.367 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.725 -2.714 4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.527 -1.542 5.121 1.00 0.00 H new ATOM 0 HG LEU A 24 19.520 -0.994 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 24 18.976 0.332 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.575 -1.387 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.285 -0.208 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.846 1.371 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.142 0.875 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.295 0.423 6.639 1.00 0.00 H new ATOM 391 N LEU A 25 17.174 -4.591 7.171 1.00 0.00 N ATOM 392 CA LEU A 25 16.305 -5.675 7.597 1.00 0.00 C ATOM 393 C LEU A 25 16.284 -5.802 9.119 1.00 0.00 C ATOM 394 O LEU A 25 15.211 -5.916 9.705 1.00 0.00 O ATOM 395 CB LEU A 25 16.769 -6.966 6.913 1.00 0.00 C ATOM 396 CG LEU A 25 15.954 -8.196 7.318 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.495 -8.076 6.885 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.565 -9.428 6.653 1.00 0.00 C ATOM 0 H LEU A 25 18.113 -4.890 6.909 1.00 0.00 H new ATOM 0 HA LEU A 25 15.277 -5.467 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.707 -6.838 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.818 -7.139 7.154 1.00 0.00 H new ATOM 0 HG LEU A 25 15.979 -8.280 8.404 1.00 0.00 H new ATOM 0 HD11 LEU A 25 13.950 -8.969 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.047 -7.199 7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.444 -7.974 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.994 -10.313 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.540 -9.307 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.598 -9.544 6.981 1.00 0.00 H new ATOM 410 N VAL A 26 17.449 -5.783 9.776 1.00 0.00 N ATOM 411 CA VAL A 26 17.478 -5.995 11.216 1.00 0.00 C ATOM 412 C VAL A 26 16.848 -4.834 11.961 1.00 0.00 C ATOM 413 O VAL A 26 16.380 -5.037 13.072 1.00 0.00 O ATOM 414 CB VAL A 26 18.896 -6.232 11.750 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.566 -7.409 11.047 1.00 0.00 C ATOM 416 CG2 VAL A 26 19.776 -4.985 11.636 1.00 0.00 C ATOM 0 H VAL A 26 18.359 -5.627 9.342 1.00 0.00 H new ATOM 0 HA VAL A 26 16.894 -6.898 11.395 1.00 0.00 H new ATOM 0 HB VAL A 26 18.789 -6.469 12.808 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.569 -7.550 11.449 1.00 0.00 H new ATOM 0 HG12 VAL A 26 18.979 -8.313 11.211 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.629 -7.206 9.978 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.770 -5.204 12.027 1.00 0.00 H new ATOM 0 HG22 VAL A 26 19.855 -4.690 10.590 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.331 -4.172 12.210 1.00 0.00 H new ATOM 426 N VAL A 27 16.821 -3.625 11.388 1.00 0.00 N ATOM 427 CA VAL A 27 16.257 -2.483 12.101 1.00 0.00 C ATOM 428 C VAL A 27 14.741 -2.625 12.235 1.00 0.00 C ATOM 429 O VAL A 27 14.152 -2.089 13.174 1.00 0.00 O ATOM 430 CB VAL A 27 16.678 -1.178 11.416 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.077 -1.055 10.019 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.254 0.031 12.249 1.00 0.00 C ATOM 0 H VAL A 27 17.175 -3.418 10.454 1.00 0.00 H new ATOM 0 HA VAL A 27 16.653 -2.454 13.116 1.00 0.00 H new ATOM 0 HB VAL A 27 17.764 -1.201 11.328 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.398 -0.117 9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.413 -1.889 9.403 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.989 -1.071 10.088 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.563 0.947 11.745 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.170 0.029 12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.726 -0.020 13.230 1.00 0.00 H new ATOM 442 N ARG A 28 14.094 -3.349 11.313 1.00 0.00 N ATOM 443 CA ARG A 28 12.662 -3.606 11.405 1.00 0.00 C ATOM 444 C ARG A 28 12.383 -4.529 12.582 1.00 0.00 C ATOM 445 O ARG A 28 11.355 -4.413 13.247 1.00 0.00 O ATOM 446 CB ARG A 28 12.178 -4.282 10.120 1.00 0.00 C ATOM 447 CG ARG A 28 12.714 -3.588 8.865 1.00 0.00 C ATOM 448 CD ARG A 28 12.217 -4.294 7.604 1.00 0.00 C ATOM 449 NE ARG A 28 10.777 -4.096 7.407 1.00 0.00 N ATOM 450 CZ ARG A 28 10.252 -3.083 6.709 1.00 0.00 C ATOM 451 NH1 ARG A 28 11.033 -2.165 6.144 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.933 -2.985 6.572 1.00 0.00 N ATOM 0 H ARG A 28 14.544 -3.764 10.497 1.00 0.00 H new ATOM 0 HA ARG A 28 12.138 -2.660 11.545 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.494 -5.325 10.119 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.088 -4.279 10.098 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.394 -2.546 8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.804 -3.587 8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.759 -3.916 6.737 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.432 -5.360 7.674 1.00 0.00 H new ATOM 0 HE ARG A 28 10.138 -4.771 7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.046 -2.228 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.618 -1.398 5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.323 -3.682 6.999 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.531 -2.213 6.040 1.00 0.00 H new ATOM 466 N TYR A 29 13.315 -5.451 12.830 1.00 0.00 N ATOM 467 CA TYR A 29 13.184 -6.428 13.895 1.00 0.00 C ATOM 468 C TYR A 29 13.925 -6.009 15.157 1.00 0.00 C ATOM 469 O TYR A 29 13.768 -6.654 16.190 1.00 0.00 O ATOM 470 CB TYR A 29 13.664 -7.785 13.380 1.00 0.00 C ATOM 471 CG TYR A 29 12.761 -8.359 12.314 1.00 0.00 C ATOM 472 CD1 TYR A 29 12.901 -7.961 10.977 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.771 -9.282 12.668 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.048 -8.471 9.990 1.00 0.00 C ATOM 475 CE2 TYR A 29 10.917 -9.808 11.687 1.00 0.00 C ATOM 476 CZ TYR A 29 11.052 -9.403 10.341 1.00 0.00 C ATOM 477 OH TYR A 29 10.221 -9.906 9.386 1.00 0.00 O ATOM 0 H TYR A 29 14.179 -5.536 12.294 1.00 0.00 H new ATOM 0 HA TYR A 29 12.134 -6.500 14.180 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.672 -7.680 12.978 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.724 -8.484 14.214 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.673 -7.256 10.706 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.664 -9.590 13.698 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.154 -8.151 8.964 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.156 -10.523 11.962 1.00 0.00 H new ATOM 0 HH TYR A 29 10.689 -9.931 8.525 1.00 0.00 H new ATOM 487 N GLN A 30 14.725 -4.943 15.100 1.00 0.00 N ATOM 488 CA GLN A 30 15.533 -4.503 16.229 1.00 0.00 C ATOM 489 C GLN A 30 14.648 -4.083 17.397 1.00 0.00 C ATOM 490 O GLN A 30 15.059 -4.187 18.550 1.00 0.00 O ATOM 491 CB GLN A 30 16.432 -3.357 15.761 1.00 0.00 C ATOM 492 CG GLN A 30 17.447 -2.939 16.822 1.00 0.00 C ATOM 493 CD GLN A 30 18.423 -1.918 16.253 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.451 -0.766 16.676 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.233 -2.334 15.282 1.00 0.00 N ATOM 0 H GLN A 30 14.828 -4.363 14.267 1.00 0.00 H new ATOM 0 HA GLN A 30 16.155 -5.324 16.587 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.960 -3.660 14.857 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.814 -2.499 15.497 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.929 -2.515 17.682 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.992 -3.814 17.177 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.183 -3.299 14.954 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.904 -1.688 14.866 1.00 0.00 H new ATOM 504 N HIS A 31 13.429 -3.614 17.107 1.00 0.00 N ATOM 505 CA HIS A 31 12.467 -3.287 18.148 1.00 0.00 C ATOM 506 C HIS A 31 11.694 -4.533 18.570 1.00 0.00 C ATOM 507 O HIS A 31 11.276 -4.638 19.722 1.00 0.00 O ATOM 508 CB HIS A 31 11.518 -2.210 17.615 1.00 0.00 C ATOM 509 CG HIS A 31 10.500 -1.769 18.636 1.00 0.00 C ATOM 510 ND1 HIS A 31 9.140 -2.095 18.617 1.00 0.00 N ATOM 511 CD2 HIS A 31 10.763 -0.991 19.722 1.00 0.00 C ATOM 512 CE1 HIS A 31 8.621 -1.505 19.706 1.00 0.00 C ATOM 513 NE2 HIS A 31 9.569 -0.835 20.387 1.00 0.00 N ATOM 0 H HIS A 31 13.092 -3.455 16.158 1.00 0.00 H new ATOM 0 HA HIS A 31 12.987 -2.909 19.028 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.100 -1.347 17.293 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.001 -2.592 16.735 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.720 -0.578 20.005 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.582 -1.561 19.996 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.427 -0.304 21.246 1.00 0.00 H new ATOM 521 N LYS A 32 11.499 -5.483 17.647 1.00 0.00 N ATOM 522 CA LYS A 32 10.712 -6.679 17.919 1.00 0.00 C ATOM 523 C LYS A 32 11.488 -7.697 18.751 1.00 0.00 C ATOM 524 O LYS A 32 10.936 -8.276 19.688 1.00 0.00 O ATOM 525 CB LYS A 32 10.261 -7.296 16.595 1.00 0.00 C ATOM 526 CG LYS A 32 9.434 -6.295 15.788 1.00 0.00 C ATOM 527 CD LYS A 32 8.908 -6.984 14.531 1.00 0.00 C ATOM 528 CE LYS A 32 8.146 -5.985 13.663 1.00 0.00 C ATOM 529 NZ LYS A 32 6.921 -5.506 14.325 1.00 0.00 N ATOM 0 H LYS A 32 11.880 -5.440 16.702 1.00 0.00 H new ATOM 0 HA LYS A 32 9.840 -6.390 18.506 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.132 -7.606 16.017 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.671 -8.192 16.788 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.604 -5.922 16.388 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.045 -5.433 15.518 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.738 -7.409 13.966 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.253 -7.811 14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.791 -5.136 13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.886 -6.453 12.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.347 -4.967 13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.373 -6.319 14.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.176 -4.894 15.126 1.00 0.00 H new ATOM 543 N VAL A 33 12.764 -7.929 18.429 1.00 0.00 N ATOM 544 CA VAL A 33 13.550 -8.918 19.154 1.00 0.00 C ATOM 545 C VAL A 33 14.051 -8.351 20.474 1.00 0.00 C ATOM 546 O VAL A 33 14.305 -9.115 21.402 1.00 0.00 O ATOM 547 CB VAL A 33 14.705 -9.461 18.306 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.199 -9.979 16.964 1.00 0.00 C ATOM 549 CG2 VAL A 33 15.808 -8.430 18.087 1.00 0.00 C ATOM 0 H VAL A 33 13.265 -7.450 17.681 1.00 0.00 H new ATOM 0 HA VAL A 33 12.894 -9.760 19.376 1.00 0.00 H new ATOM 0 HB VAL A 33 15.139 -10.287 18.869 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.038 -10.359 16.381 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.480 -10.781 17.131 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.716 -9.167 16.419 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.600 -8.868 17.480 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.397 -7.561 17.574 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.216 -8.124 19.050 1.00 0.00 H new ATOM 559 N ALA A 34 14.195 -7.027 20.577 1.00 0.00 N ATOM 560 CA ALA A 34 14.601 -6.415 21.833 1.00 0.00 C ATOM 561 C ALA A 34 13.480 -6.520 22.864 1.00 0.00 C ATOM 562 O ALA A 34 13.736 -6.458 24.065 1.00 0.00 O ATOM 563 CB ALA A 34 14.988 -4.958 21.594 1.00 0.00 C ATOM 0 H ALA A 34 14.037 -6.370 19.813 1.00 0.00 H new ATOM 0 HA ALA A 34 15.468 -6.946 22.226 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.291 -4.503 22.537 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.816 -4.913 20.886 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.134 -4.416 21.188 1.00 0.00 H new ATOM 569 N SER A 35 12.235 -6.679 22.403 1.00 0.00 N ATOM 570 CA SER A 35 11.092 -6.806 23.292 1.00 0.00 C ATOM 571 C SER A 35 11.047 -8.199 23.904 1.00 0.00 C ATOM 572 O SER A 35 10.782 -8.349 25.097 1.00 0.00 O ATOM 573 CB SER A 35 9.810 -6.550 22.497 1.00 0.00 C ATOM 574 OG SER A 35 8.691 -6.618 23.359 1.00 0.00 O ATOM 0 H SER A 35 12.000 -6.722 21.411 1.00 0.00 H new ATOM 0 HA SER A 35 11.182 -6.077 24.097 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.855 -5.570 22.021 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.712 -7.287 21.700 1.00 0.00 H new ATOM 0 HG SER A 35 7.873 -6.452 22.846 1.00 0.00 H new ATOM 580 N LEU A 36 11.310 -9.227 23.091 1.00 0.00 N ATOM 581 CA LEU A 36 11.247 -10.602 23.564 1.00 0.00 C ATOM 582 C LEU A 36 12.536 -11.033 24.259 1.00 0.00 C ATOM 583 O LEU A 36 12.507 -11.939 25.090 1.00 0.00 O ATOM 584 CB LEU A 36 10.851 -11.535 22.412 1.00 0.00 C ATOM 585 CG LEU A 36 11.906 -11.677 21.308 1.00 0.00 C ATOM 586 CD1 LEU A 36 12.966 -12.731 21.633 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.217 -12.126 20.022 1.00 0.00 C ATOM 0 H LEU A 36 11.567 -9.128 22.109 1.00 0.00 H new ATOM 0 HA LEU A 36 10.472 -10.669 24.328 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.637 -12.523 22.820 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.927 -11.167 21.967 1.00 0.00 H new ATOM 0 HG LEU A 36 12.392 -10.706 21.210 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.686 -12.787 20.816 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.482 -12.456 22.553 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.487 -13.701 21.762 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.958 -12.230 19.230 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.726 -13.085 20.188 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.474 -11.384 19.729 1.00 0.00 H new ATOM 599 N VAL A 37 13.670 -10.403 23.939 1.00 0.00 N ATOM 600 CA VAL A 37 14.943 -10.780 24.544 1.00 0.00 C ATOM 601 C VAL A 37 15.185 -10.028 25.852 1.00 0.00 C ATOM 602 O VAL A 37 15.997 -10.462 26.668 1.00 0.00 O ATOM 603 CB VAL A 37 16.077 -10.620 23.527 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.552 -9.179 23.417 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.268 -11.483 23.919 1.00 0.00 C ATOM 0 H VAL A 37 13.729 -9.636 23.269 1.00 0.00 H new ATOM 0 HA VAL A 37 14.911 -11.834 24.819 1.00 0.00 H new ATOM 0 HB VAL A 37 15.675 -10.933 22.563 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.356 -9.116 22.684 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.723 -8.546 23.101 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.918 -8.841 24.387 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.065 -11.358 23.186 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.628 -11.181 24.902 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.965 -12.529 23.950 1.00 0.00 H new ATOM 615 N SER A 38 14.491 -8.905 26.074 1.00 0.00 N ATOM 616 CA SER A 38 14.546 -8.206 27.352 1.00 0.00 C ATOM 617 C SER A 38 13.892 -9.062 28.442 1.00 0.00 C ATOM 618 O SER A 38 13.976 -8.749 29.629 1.00 0.00 O ATOM 619 CB SER A 38 13.840 -6.855 27.221 1.00 0.00 C ATOM 620 OG SER A 38 13.979 -6.102 28.406 1.00 0.00 O ATOM 0 H SER A 38 13.886 -8.465 25.381 1.00 0.00 H new ATOM 0 HA SER A 38 15.585 -8.032 27.634 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.258 -6.301 26.381 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.783 -7.011 27.005 1.00 0.00 H new ATOM 0 HG SER A 38 14.037 -6.708 29.174 1.00 0.00 H new ATOM 626 N ARG A 39 13.236 -10.156 28.034 1.00 0.00 N ATOM 627 CA ARG A 39 12.594 -11.098 28.940 1.00 0.00 C ATOM 628 C ARG A 39 13.551 -12.217 29.353 1.00 0.00 C ATOM 629 O ARG A 39 13.182 -13.055 30.175 1.00 0.00 O ATOM 630 CB ARG A 39 11.334 -11.659 28.277 1.00 0.00 C ATOM 631 CG ARG A 39 10.485 -10.525 27.700 1.00 0.00 C ATOM 632 CD ARG A 39 9.240 -11.072 27.008 1.00 0.00 C ATOM 633 NE ARG A 39 8.593 -10.018 26.215 1.00 0.00 N ATOM 634 CZ ARG A 39 7.343 -10.075 25.744 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.571 -11.129 25.991 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.860 -9.068 25.022 1.00 0.00 N ATOM 0 H ARG A 39 13.139 -10.409 27.051 1.00 0.00 H new ATOM 0 HA ARG A 39 12.311 -10.573 29.853 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.611 -12.354 27.484 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.752 -12.223 29.006 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.192 -9.843 28.498 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.077 -9.948 26.989 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.512 -11.907 26.362 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.542 -11.458 27.751 1.00 0.00 H new ATOM 0 HE ARG A 39 9.138 -9.181 26.008 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.931 -11.906 26.545 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.619 -11.161 25.626 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.443 -8.254 24.828 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.907 -9.110 24.662 1.00 0.00 H new ATOM 650 N TYR A 40 14.768 -12.237 28.794 1.00 0.00 N ATOM 651 CA TYR A 40 15.766 -13.252 29.103 1.00 0.00 C ATOM 652 C TYR A 40 17.063 -12.634 29.637 1.00 0.00 C ATOM 653 O TYR A 40 17.886 -13.348 30.204 1.00 0.00 O ATOM 654 CB TYR A 40 16.036 -14.097 27.852 1.00 0.00 C ATOM 655 CG TYR A 40 14.829 -14.869 27.369 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.414 -16.024 28.052 1.00 0.00 C ATOM 657 CD2 TYR A 40 14.121 -14.433 26.239 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.288 -16.736 27.615 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.995 -15.143 25.792 1.00 0.00 C ATOM 660 CZ TYR A 40 12.572 -16.297 26.482 1.00 0.00 C ATOM 661 OH TYR A 40 11.480 -16.989 26.053 1.00 0.00 O ATOM 0 H TYR A 40 15.082 -11.545 28.114 1.00 0.00 H new ATOM 0 HA TYR A 40 15.374 -13.891 29.894 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.383 -13.444 27.051 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.843 -14.798 28.065 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.964 -16.365 28.917 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.443 -13.548 25.711 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.969 -17.621 28.146 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.454 -14.805 24.921 1.00 0.00 H new ATOM 0 HH TYR A 40 11.105 -16.550 25.261 1.00 0.00 H new ATOM 671 N VAL A 41 17.247 -11.320 29.460 1.00 0.00 N ATOM 672 CA VAL A 41 18.379 -10.575 30.010 1.00 0.00 C ATOM 673 C VAL A 41 17.902 -9.194 30.460 1.00 0.00 C ATOM 674 O VAL A 41 16.922 -8.680 29.921 1.00 0.00 O ATOM 675 CB VAL A 41 19.521 -10.440 28.992 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.270 -11.762 28.832 1.00 0.00 C ATOM 677 CG2 VAL A 41 19.019 -9.977 27.627 1.00 0.00 C ATOM 0 H VAL A 41 16.603 -10.739 28.923 1.00 0.00 H new ATOM 0 HA VAL A 41 18.772 -11.127 30.864 1.00 0.00 H new ATOM 0 HB VAL A 41 20.200 -9.682 29.384 1.00 0.00 H new ATOM 0 HG11 VAL A 41 21.074 -11.639 28.106 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.691 -12.060 29.792 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.580 -12.531 28.484 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.860 -9.895 26.939 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.301 -10.700 27.239 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.536 -9.005 27.727 1.00 0.00 H new ATOM 687 N PRO A 42 18.581 -8.581 31.442 1.00 0.00 N ATOM 688 CA PRO A 42 18.220 -7.274 31.970 1.00 0.00 C ATOM 689 C PRO A 42 18.461 -6.178 30.930 1.00 0.00 C ATOM 690 O PRO A 42 19.146 -6.398 29.931 1.00 0.00 O ATOM 691 CB PRO A 42 19.097 -7.089 33.209 1.00 0.00 C ATOM 692 CG PRO A 42 20.340 -7.914 32.875 1.00 0.00 C ATOM 693 CD PRO A 42 19.750 -9.104 32.120 1.00 0.00 C ATOM 0 HA PRO A 42 17.161 -7.208 32.221 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.342 -6.040 33.378 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.603 -7.450 34.111 1.00 0.00 H new ATOM 0 HG2 PRO A 42 21.047 -7.354 32.263 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.874 -8.226 33.773 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.467 -9.514 31.409 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.482 -9.910 32.803 1.00 0.00 H new ATOM 701 N SER A 43 17.898 -4.992 31.168 1.00 0.00 N ATOM 702 CA SER A 43 17.970 -3.880 30.226 1.00 0.00 C ATOM 703 C SER A 43 19.402 -3.371 30.043 1.00 0.00 C ATOM 704 O SER A 43 19.677 -2.600 29.122 1.00 0.00 O ATOM 705 CB SER A 43 17.050 -2.763 30.719 1.00 0.00 C ATOM 706 OG SER A 43 16.949 -1.741 29.746 1.00 0.00 O ATOM 0 H SER A 43 17.380 -4.778 32.020 1.00 0.00 H new ATOM 0 HA SER A 43 17.642 -4.228 29.246 1.00 0.00 H new ATOM 0 HB2 SER A 43 16.061 -3.167 30.935 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.436 -2.350 31.651 1.00 0.00 H new ATOM 0 HG SER A 43 17.724 -1.782 29.147 1.00 0.00 H new ATOM 712 N GLY A 44 20.326 -3.793 30.911 1.00 0.00 N ATOM 713 CA GLY A 44 21.721 -3.398 30.801 1.00 0.00 C ATOM 714 C GLY A 44 22.501 -4.296 29.843 1.00 0.00 C ATOM 715 O GLY A 44 23.561 -3.902 29.364 1.00 0.00 O ATOM 0 H GLY A 44 20.126 -4.410 31.698 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.778 -2.365 30.456 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.185 -3.431 31.787 1.00 0.00 H new ATOM 719 N ASP A 45 21.986 -5.497 29.561 1.00 0.00 N ATOM 720 CA ASP A 45 22.636 -6.454 28.671 1.00 0.00 C ATOM 721 C ASP A 45 21.790 -6.735 27.429 1.00 0.00 C ATOM 722 O ASP A 45 22.240 -7.442 26.527 1.00 0.00 O ATOM 723 CB ASP A 45 22.936 -7.741 29.438 1.00 0.00 C ATOM 724 CG ASP A 45 23.913 -7.506 30.590 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.998 -6.941 30.330 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.564 -7.898 31.726 1.00 0.00 O ATOM 0 H ASP A 45 21.103 -5.830 29.947 1.00 0.00 H new ATOM 0 HA ASP A 45 23.573 -6.021 28.321 1.00 0.00 H new ATOM 0 HB2 ASP A 45 22.007 -8.155 29.829 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.352 -8.482 28.755 1.00 0.00 H new ATOM 731 N VAL A 46 20.570 -6.196 27.366 1.00 0.00 N ATOM 732 CA VAL A 46 19.680 -6.451 26.246 1.00 0.00 C ATOM 733 C VAL A 46 20.176 -5.860 24.915 1.00 0.00 C ATOM 734 O VAL A 46 19.919 -6.476 23.884 1.00 0.00 O ATOM 735 CB VAL A 46 18.256 -5.989 26.591 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.070 -4.473 26.556 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.254 -6.608 25.627 1.00 0.00 C ATOM 0 H VAL A 46 20.182 -5.581 28.081 1.00 0.00 H new ATOM 0 HA VAL A 46 19.670 -7.529 26.083 1.00 0.00 H new ATOM 0 HB VAL A 46 18.085 -6.320 27.615 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.039 -4.227 26.811 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.743 -4.007 27.276 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.295 -4.102 25.556 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.249 -6.273 25.882 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.491 -6.301 24.609 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.303 -7.695 25.699 1.00 0.00 H new ATOM 747 N PRO A 47 20.872 -4.710 24.859 1.00 0.00 N ATOM 748 CA PRO A 47 21.238 -4.126 23.576 1.00 0.00 C ATOM 749 C PRO A 47 22.412 -4.859 22.935 1.00 0.00 C ATOM 750 O PRO A 47 22.559 -4.849 21.714 1.00 0.00 O ATOM 751 CB PRO A 47 21.612 -2.683 23.896 1.00 0.00 C ATOM 752 CG PRO A 47 22.213 -2.795 25.294 1.00 0.00 C ATOM 753 CD PRO A 47 21.350 -3.871 25.951 1.00 0.00 C ATOM 0 HA PRO A 47 20.421 -4.195 22.858 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.328 -2.281 23.179 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.742 -2.026 23.880 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.263 -3.084 25.260 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.160 -1.849 25.834 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.928 -4.453 26.669 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.518 -3.427 26.497 1.00 0.00 H new ATOM 761 N ASP A 48 23.256 -5.502 23.750 1.00 0.00 N ATOM 762 CA ASP A 48 24.420 -6.215 23.251 1.00 0.00 C ATOM 763 C ASP A 48 24.026 -7.606 22.773 1.00 0.00 C ATOM 764 O ASP A 48 24.660 -8.162 21.877 1.00 0.00 O ATOM 765 CB ASP A 48 25.461 -6.303 24.363 1.00 0.00 C ATOM 766 CG ASP A 48 26.777 -6.875 23.845 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.429 -6.180 23.034 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.122 -8.006 24.263 1.00 0.00 O ATOM 0 H ASP A 48 23.147 -5.538 24.763 1.00 0.00 H new ATOM 0 HA ASP A 48 24.842 -5.677 22.402 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.633 -5.312 24.783 1.00 0.00 H new ATOM 0 HB3 ASP A 48 25.082 -6.930 25.170 1.00 0.00 H new ATOM 773 N VAL A 49 22.974 -8.174 23.372 1.00 0.00 N ATOM 774 CA VAL A 49 22.468 -9.482 22.985 1.00 0.00 C ATOM 775 C VAL A 49 21.648 -9.356 21.704 1.00 0.00 C ATOM 776 O VAL A 49 21.562 -10.311 20.937 1.00 0.00 O ATOM 777 CB VAL A 49 21.649 -10.062 24.145 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.926 -11.341 23.737 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.580 -10.411 25.307 1.00 0.00 C ATOM 0 H VAL A 49 22.456 -7.737 24.134 1.00 0.00 H new ATOM 0 HA VAL A 49 23.290 -10.167 22.777 1.00 0.00 H new ATOM 0 HB VAL A 49 20.917 -9.308 24.434 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.356 -11.723 24.584 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.248 -11.128 22.910 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.656 -12.088 23.424 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.996 -10.823 26.130 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.313 -11.148 24.978 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.096 -9.511 25.643 1.00 0.00 H new ATOM 789 N VAL A 50 21.044 -8.190 21.454 1.00 0.00 N ATOM 790 CA VAL A 50 20.337 -7.946 20.203 1.00 0.00 C ATOM 791 C VAL A 50 21.350 -7.801 19.075 1.00 0.00 C ATOM 792 O VAL A 50 21.087 -8.230 17.954 1.00 0.00 O ATOM 793 CB VAL A 50 19.470 -6.687 20.331 1.00 0.00 C ATOM 794 CG1 VAL A 50 18.943 -6.226 18.970 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.266 -6.982 21.216 1.00 0.00 C ATOM 0 H VAL A 50 21.033 -7.404 22.104 1.00 0.00 H new ATOM 0 HA VAL A 50 19.680 -8.786 19.977 1.00 0.00 H new ATOM 0 HB VAL A 50 20.095 -5.904 20.761 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.333 -5.332 19.100 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.782 -6.000 18.312 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.338 -7.017 18.527 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.652 -6.086 21.305 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.676 -7.784 20.772 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.608 -7.288 22.205 1.00 0.00 H new ATOM 805 N GLN A 51 22.512 -7.201 19.359 1.00 0.00 N ATOM 806 CA GLN A 51 23.548 -7.058 18.348 1.00 0.00 C ATOM 807 C GLN A 51 24.193 -8.410 18.068 1.00 0.00 C ATOM 808 O GLN A 51 24.421 -8.751 16.913 1.00 0.00 O ATOM 809 CB GLN A 51 24.575 -6.029 18.824 1.00 0.00 C ATOM 810 CG GLN A 51 25.653 -5.816 17.759 1.00 0.00 C ATOM 811 CD GLN A 51 26.614 -4.689 18.124 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.501 -4.070 19.180 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.577 -4.412 17.251 1.00 0.00 N ATOM 0 H GLN A 51 22.750 -6.813 20.272 1.00 0.00 H new ATOM 0 HA GLN A 51 23.114 -6.703 17.414 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.078 -5.084 19.041 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.035 -6.368 19.753 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.215 -6.740 17.624 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.178 -5.590 16.804 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.646 -4.943 16.383 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.247 -3.669 17.449 1.00 0.00 H new ATOM 822 N GLU A 52 24.487 -9.198 19.105 1.00 0.00 N ATOM 823 CA GLU A 52 25.089 -10.508 18.901 1.00 0.00 C ATOM 824 C GLU A 52 24.097 -11.443 18.213 1.00 0.00 C ATOM 825 O GLU A 52 24.507 -12.364 17.512 1.00 0.00 O ATOM 826 CB GLU A 52 25.547 -11.079 20.246 1.00 0.00 C ATOM 827 CG GLU A 52 26.270 -12.414 20.054 1.00 0.00 C ATOM 828 CD GLU A 52 26.954 -12.861 21.344 1.00 0.00 C ATOM 829 OE1 GLU A 52 28.082 -12.381 21.596 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.346 -13.681 22.067 1.00 0.00 O ATOM 0 H GLU A 52 24.319 -8.952 20.081 1.00 0.00 H new ATOM 0 HA GLU A 52 25.960 -10.410 18.253 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.210 -10.369 20.740 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.685 -11.218 20.899 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.557 -13.174 19.735 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.011 -12.319 19.260 1.00 0.00 H new ATOM 837 N ALA A 53 22.794 -11.212 18.402 1.00 0.00 N ATOM 838 CA ALA A 53 21.782 -12.024 17.748 1.00 0.00 C ATOM 839 C ALA A 53 21.713 -11.702 16.256 1.00 0.00 C ATOM 840 O ALA A 53 21.357 -12.575 15.470 1.00 0.00 O ATOM 841 CB ALA A 53 20.432 -11.782 18.413 1.00 0.00 C ATOM 0 H ALA A 53 22.424 -10.473 19.000 1.00 0.00 H new ATOM 0 HA ALA A 53 22.048 -13.076 17.850 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.671 -12.390 17.924 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.492 -12.054 19.467 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.166 -10.729 18.324 1.00 0.00 H new ATOM 847 N PHE A 54 22.051 -10.475 15.855 1.00 0.00 N ATOM 848 CA PHE A 54 22.047 -10.104 14.446 1.00 0.00 C ATOM 849 C PHE A 54 23.366 -10.483 13.780 1.00 0.00 C ATOM 850 O PHE A 54 23.382 -10.775 12.586 1.00 0.00 O ATOM 851 CB PHE A 54 21.760 -8.607 14.304 1.00 0.00 C ATOM 852 CG PHE A 54 20.347 -8.193 14.665 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.261 -9.033 14.373 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.120 -6.956 15.287 1.00 0.00 C ATOM 855 CE1 PHE A 54 17.955 -8.636 14.696 1.00 0.00 C ATOM 856 CE2 PHE A 54 18.813 -6.556 15.600 1.00 0.00 C ATOM 857 CZ PHE A 54 17.732 -7.396 15.304 1.00 0.00 C ATOM 0 H PHE A 54 22.330 -9.725 16.488 1.00 0.00 H new ATOM 0 HA PHE A 54 21.257 -10.656 13.937 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.457 -8.056 14.935 1.00 0.00 H new ATOM 0 HB3 PHE A 54 21.959 -8.309 13.274 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.431 -9.988 13.898 1.00 0.00 H new ATOM 0 HD2 PHE A 54 20.953 -6.311 15.525 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.122 -9.287 14.475 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.640 -5.599 16.070 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.726 -7.086 15.545 1.00 0.00 H new ATOM 867 N ILE A 55 24.471 -10.490 14.531 1.00 0.00 N ATOM 868 CA ILE A 55 25.749 -10.930 13.988 1.00 0.00 C ATOM 869 C ILE A 55 25.705 -12.445 13.797 1.00 0.00 C ATOM 870 O ILE A 55 26.255 -12.968 12.831 1.00 0.00 O ATOM 871 CB ILE A 55 26.882 -10.513 14.935 1.00 0.00 C ATOM 872 CG1 ILE A 55 26.972 -8.981 15.014 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.220 -11.084 14.443 1.00 0.00 C ATOM 874 CD1 ILE A 55 27.974 -8.525 16.075 1.00 0.00 C ATOM 0 H ILE A 55 24.502 -10.198 15.508 1.00 0.00 H new ATOM 0 HA ILE A 55 25.937 -10.463 13.021 1.00 0.00 H new ATOM 0 HB ILE A 55 26.668 -10.909 15.928 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.265 -8.584 14.042 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.988 -8.570 15.243 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.017 -10.782 15.123 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.162 -12.172 14.413 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.432 -10.704 13.444 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.008 -7.436 16.099 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.666 -8.900 17.051 1.00 0.00 H new ATOM 0 HD13 ILE A 55 28.963 -8.913 15.832 1.00 0.00 H new ATOM 886 N LYS A 56 25.049 -13.152 14.724 1.00 0.00 N ATOM 887 CA LYS A 56 24.919 -14.599 14.667 1.00 0.00 C ATOM 888 C LYS A 56 23.836 -15.012 13.677 1.00 0.00 C ATOM 889 O LYS A 56 23.937 -16.069 13.056 1.00 0.00 O ATOM 890 CB LYS A 56 24.637 -15.101 16.081 1.00 0.00 C ATOM 891 CG LYS A 56 24.677 -16.627 16.147 1.00 0.00 C ATOM 892 CD LYS A 56 24.828 -17.085 17.602 1.00 0.00 C ATOM 893 CE LYS A 56 23.646 -16.657 18.474 1.00 0.00 C ATOM 894 NZ LYS A 56 22.412 -17.372 18.103 1.00 0.00 N ATOM 0 H LYS A 56 24.595 -12.729 15.534 1.00 0.00 H new ATOM 0 HA LYS A 56 25.842 -15.052 14.305 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.373 -14.686 16.770 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.659 -14.746 16.407 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.764 -17.042 15.719 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.508 -17.003 15.551 1.00 0.00 H new ATOM 0 HD2 LYS A 56 24.923 -18.171 17.630 1.00 0.00 H new ATOM 0 HD3 LYS A 56 25.749 -16.674 18.016 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.878 -16.849 19.522 1.00 0.00 H new ATOM 0 HE3 LYS A 56 23.489 -15.583 18.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 21.632 -16.691 18.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.555 -17.866 17.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.177 -18.065 18.842 1.00 0.00 H new ATOM 908 N ALA A 57 22.796 -14.187 13.523 1.00 0.00 N ATOM 909 CA ALA A 57 21.746 -14.483 12.567 1.00 0.00 C ATOM 910 C ALA A 57 22.291 -14.403 11.147 1.00 0.00 C ATOM 911 O ALA A 57 21.973 -15.256 10.333 1.00 0.00 O ATOM 912 CB ALA A 57 20.584 -13.511 12.746 1.00 0.00 C ATOM 0 H ALA A 57 22.667 -13.321 14.045 1.00 0.00 H new ATOM 0 HA ALA A 57 21.383 -15.496 12.744 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.802 -13.742 12.023 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.184 -13.604 13.756 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.935 -12.491 12.587 1.00 0.00 H new ATOM 918 N TYR A 58 23.111 -13.397 10.832 1.00 0.00 N ATOM 919 CA TYR A 58 23.637 -13.247 9.480 1.00 0.00 C ATOM 920 C TYR A 58 24.507 -14.438 9.091 1.00 0.00 C ATOM 921 O TYR A 58 24.496 -14.867 7.938 1.00 0.00 O ATOM 922 CB TYR A 58 24.447 -11.956 9.418 1.00 0.00 C ATOM 923 CG TYR A 58 24.935 -11.614 8.032 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.075 -10.982 7.124 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.251 -11.924 7.657 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.538 -10.627 5.850 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.718 -11.582 6.382 1.00 0.00 C ATOM 928 CZ TYR A 58 25.862 -10.928 5.472 1.00 0.00 C ATOM 929 OH TYR A 58 26.314 -10.586 4.232 1.00 0.00 O ATOM 0 H TYR A 58 23.421 -12.682 11.490 1.00 0.00 H new ATOM 0 HA TYR A 58 22.808 -13.205 8.773 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.835 -11.135 9.791 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.305 -12.043 10.085 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.055 -10.768 7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 58 26.905 -12.428 8.353 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.880 -10.123 5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.732 -11.819 6.096 1.00 0.00 H new ATOM 0 HH TYR A 58 27.248 -10.865 4.136 1.00 0.00 H new ATOM 939 N ARG A 59 25.265 -14.977 10.050 1.00 0.00 N ATOM 940 CA ARG A 59 26.123 -16.131 9.814 1.00 0.00 C ATOM 941 C ARG A 59 25.297 -17.404 9.636 1.00 0.00 C ATOM 942 O ARG A 59 25.801 -18.396 9.111 1.00 0.00 O ATOM 943 CB ARG A 59 27.097 -16.282 10.983 1.00 0.00 C ATOM 944 CG ARG A 59 28.053 -15.095 11.031 1.00 0.00 C ATOM 945 CD ARG A 59 28.847 -15.143 12.333 1.00 0.00 C ATOM 946 NE ARG A 59 29.766 -16.286 12.365 1.00 0.00 N ATOM 947 CZ ARG A 59 30.522 -16.609 13.418 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.478 -15.886 14.532 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.327 -17.665 13.358 1.00 0.00 N ATOM 0 H ARG A 59 25.298 -14.624 11.006 1.00 0.00 H new ATOM 0 HA ARG A 59 26.683 -15.972 8.893 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.544 -16.350 11.920 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.662 -17.208 10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.730 -15.123 10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.495 -14.161 10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 59 29.412 -14.218 12.449 1.00 0.00 H new ATOM 0 HD3 ARG A 59 28.160 -15.205 13.177 1.00 0.00 H new ATOM 0 HE ARG A 59 29.832 -16.870 11.532 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.862 -15.075 14.590 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.060 -16.142 15.330 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.367 -18.228 12.508 1.00 0.00 H new ATOM 0 HH22 ARG A 59 31.905 -17.912 14.162 1.00 0.00 H new ATOM 963 N ALA A 60 24.033 -17.378 10.065 1.00 0.00 N ATOM 964 CA ALA A 60 23.120 -18.498 9.899 1.00 0.00 C ATOM 965 C ALA A 60 22.096 -18.215 8.794 1.00 0.00 C ATOM 966 O ALA A 60 21.382 -19.119 8.363 1.00 0.00 O ATOM 967 CB ALA A 60 22.438 -18.759 11.241 1.00 0.00 C ATOM 0 H ALA A 60 23.618 -16.575 10.538 1.00 0.00 H new ATOM 0 HA ALA A 60 23.672 -19.386 9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.747 -19.596 11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.191 -18.998 11.992 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.888 -17.870 11.549 1.00 0.00 H new ATOM 973 N LEU A 61 22.025 -16.961 8.332 1.00 0.00 N ATOM 974 CA LEU A 61 21.073 -16.532 7.324 1.00 0.00 C ATOM 975 C LEU A 61 21.485 -17.060 5.957 1.00 0.00 C ATOM 976 O LEU A 61 20.653 -17.196 5.062 1.00 0.00 O ATOM 977 CB LEU A 61 21.028 -15.005 7.318 1.00 0.00 C ATOM 978 CG LEU A 61 19.870 -14.462 6.483 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.534 -14.837 7.108 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.975 -12.941 6.445 1.00 0.00 C ATOM 0 H LEU A 61 22.638 -16.214 8.657 1.00 0.00 H new ATOM 0 HA LEU A 61 20.083 -16.926 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.936 -14.643 8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.968 -14.618 6.926 1.00 0.00 H new ATOM 0 HG LEU A 61 19.925 -14.887 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.723 -14.441 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.450 -15.922 7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.471 -14.417 8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.155 -12.534 5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.919 -12.547 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.925 -12.653 5.996 1.00 0.00 H new ATOM 992 N ASP A 62 22.776 -17.363 5.796 1.00 0.00 N ATOM 993 CA ASP A 62 23.286 -17.982 4.585 1.00 0.00 C ATOM 994 C ASP A 62 22.676 -19.375 4.391 1.00 0.00 C ATOM 995 O ASP A 62 22.794 -19.955 3.313 1.00 0.00 O ATOM 996 CB ASP A 62 24.811 -18.051 4.685 1.00 0.00 C ATOM 997 CG ASP A 62 25.433 -18.609 3.405 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.286 -17.945 2.355 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.052 -19.693 3.490 1.00 0.00 O ATOM 0 H ASP A 62 23.489 -17.184 6.503 1.00 0.00 H new ATOM 0 HA ASP A 62 23.007 -17.388 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.209 -17.055 4.880 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.093 -18.678 5.531 1.00 0.00 H new ATOM 1004 N SER A 63 22.025 -19.913 5.432 1.00 0.00 N ATOM 1005 CA SER A 63 21.378 -21.218 5.372 1.00 0.00 C ATOM 1006 C SER A 63 19.854 -21.118 5.488 1.00 0.00 C ATOM 1007 O SER A 63 19.178 -22.142 5.530 1.00 0.00 O ATOM 1008 CB SER A 63 21.961 -22.136 6.446 1.00 0.00 C ATOM 1009 OG SER A 63 21.597 -23.475 6.183 1.00 0.00 O ATOM 0 H SER A 63 21.936 -19.450 6.337 1.00 0.00 H new ATOM 0 HA SER A 63 21.581 -21.649 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 63 23.047 -22.042 6.466 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.597 -21.837 7.429 1.00 0.00 H new ATOM 0 HG SER A 63 20.672 -23.505 5.860 1.00 0.00 H new ATOM 1015 N PHE A 64 19.290 -19.905 5.535 1.00 0.00 N ATOM 1016 CA PHE A 64 17.840 -19.760 5.586 1.00 0.00 C ATOM 1017 C PHE A 64 17.242 -20.140 4.234 1.00 0.00 C ATOM 1018 O PHE A 64 17.641 -19.613 3.196 1.00 0.00 O ATOM 1019 CB PHE A 64 17.435 -18.341 5.970 1.00 0.00 C ATOM 1020 CG PHE A 64 15.933 -18.136 5.966 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.147 -18.615 7.022 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.320 -17.464 4.897 1.00 0.00 C ATOM 1023 CE1 PHE A 64 13.760 -18.407 7.024 1.00 0.00 C ATOM 1024 CE2 PHE A 64 13.934 -17.248 4.902 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.153 -17.717 5.967 1.00 0.00 C ATOM 0 H PHE A 64 19.809 -19.027 5.539 1.00 0.00 H new ATOM 0 HA PHE A 64 17.453 -20.429 6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 64 17.825 -18.113 6.962 1.00 0.00 H new ATOM 0 HB3 PHE A 64 17.895 -17.637 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.612 -19.147 7.839 1.00 0.00 H new ATOM 0 HD2 PHE A 64 15.917 -17.112 4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.160 -18.779 7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.468 -16.719 4.084 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.086 -17.547 5.973 1.00 0.00 H new ATOM 1099 N PHE A 70 10.617 -15.999 8.021 1.00 0.00 N ATOM 1100 CA PHE A 70 11.838 -15.340 8.458 1.00 0.00 C ATOM 1101 C PHE A 70 11.688 -14.781 9.870 1.00 0.00 C ATOM 1102 O PHE A 70 12.650 -14.786 10.631 1.00 0.00 O ATOM 1103 CB PHE A 70 12.192 -14.202 7.504 1.00 0.00 C ATOM 1104 CG PHE A 70 13.378 -13.411 8.005 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.638 -14.018 8.100 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.216 -12.072 8.400 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.728 -13.296 8.600 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.310 -11.350 8.893 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.570 -11.960 8.993 1.00 0.00 C ATOM 0 HA PHE A 70 12.635 -16.084 8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.414 -14.608 6.517 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.333 -13.540 7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.768 -15.044 7.787 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.248 -11.600 8.323 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.695 -13.770 8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.184 -10.321 9.197 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.414 -11.402 9.371 1.00 0.00 H new ATOM 1119 N TYR A 71 10.495 -14.301 10.232 1.00 0.00 N ATOM 1120 CA TYR A 71 10.298 -13.699 11.542 1.00 0.00 C ATOM 1121 C TYR A 71 10.368 -14.745 12.648 1.00 0.00 C ATOM 1122 O TYR A 71 10.949 -14.486 13.701 1.00 0.00 O ATOM 1123 CB TYR A 71 8.970 -12.941 11.580 1.00 0.00 C ATOM 1124 CG TYR A 71 7.748 -13.791 11.316 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.137 -14.477 12.376 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.220 -13.889 10.018 1.00 0.00 C ATOM 1127 CE1 TYR A 71 5.995 -15.261 12.141 1.00 0.00 C ATOM 1128 CE2 TYR A 71 6.085 -14.675 9.776 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.463 -15.361 10.838 1.00 0.00 C ATOM 1130 OH TYR A 71 4.356 -16.119 10.610 1.00 0.00 O ATOM 0 H TYR A 71 9.664 -14.319 9.641 1.00 0.00 H new ATOM 0 HA TYR A 71 11.105 -12.988 11.718 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.864 -12.471 12.558 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.004 -12.139 10.842 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.545 -14.403 13.373 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.690 -13.357 9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.524 -15.787 12.958 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.687 -14.755 8.775 1.00 0.00 H new ATOM 0 HH TYR A 71 4.122 -16.078 9.659 1.00 0.00 H new ATOM 1140 N THR A 72 9.788 -15.931 12.426 1.00 0.00 N ATOM 1141 CA THR A 72 9.826 -16.986 13.432 1.00 0.00 C ATOM 1142 C THR A 72 11.244 -17.528 13.529 1.00 0.00 C ATOM 1143 O THR A 72 11.699 -17.887 14.611 1.00 0.00 O ATOM 1144 CB THR A 72 8.848 -18.109 13.065 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.532 -17.609 13.000 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.876 -19.216 14.118 1.00 0.00 C ATOM 0 H THR A 72 9.294 -16.177 11.568 1.00 0.00 H new ATOM 0 HA THR A 72 9.526 -16.579 14.398 1.00 0.00 H new ATOM 0 HB THR A 72 9.153 -18.507 12.097 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.546 -16.695 12.647 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.175 -20.002 13.838 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.881 -19.632 14.182 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.592 -18.804 15.086 1.00 0.00 H new ATOM 1154 N TRP A 73 11.946 -17.581 12.395 1.00 0.00 N ATOM 1155 CA TRP A 73 13.309 -18.073 12.362 1.00 0.00 C ATOM 1156 C TRP A 73 14.248 -17.093 13.067 1.00 0.00 C ATOM 1157 O TRP A 73 15.246 -17.511 13.646 1.00 0.00 O ATOM 1158 CB TRP A 73 13.715 -18.255 10.897 1.00 0.00 C ATOM 1159 CG TRP A 73 15.142 -18.636 10.691 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.613 -19.895 10.561 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.307 -17.761 10.593 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.982 -19.863 10.394 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.464 -18.572 10.422 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.502 -16.368 10.640 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.749 -18.029 10.320 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.788 -15.814 10.535 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.907 -16.641 10.379 1.00 0.00 C ATOM 0 H TRP A 73 11.584 -17.286 11.488 1.00 0.00 H new ATOM 0 HA TRP A 73 13.377 -19.027 12.886 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.080 -19.020 10.450 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.520 -17.326 10.361 1.00 0.00 H new ATOM 0 HD1 TRP A 73 15.010 -20.791 10.584 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.564 -20.691 10.266 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.650 -15.715 10.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.607 -18.673 10.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 17.915 -14.742 10.575 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.893 -16.206 10.304 1.00 0.00 H new ATOM 1178 N LEU A 74 13.934 -15.795 13.023 1.00 0.00 N ATOM 1179 CA LEU A 74 14.776 -14.765 13.611 1.00 0.00 C ATOM 1180 C LEU A 74 14.520 -14.616 15.108 1.00 0.00 C ATOM 1181 O LEU A 74 15.454 -14.361 15.868 1.00 0.00 O ATOM 1182 CB LEU A 74 14.511 -13.448 12.879 1.00 0.00 C ATOM 1183 CG LEU A 74 15.394 -12.303 13.393 1.00 0.00 C ATOM 1184 CD1 LEU A 74 16.877 -12.600 13.166 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.032 -11.022 12.648 1.00 0.00 C ATOM 0 H LEU A 74 13.089 -15.436 12.578 1.00 0.00 H new ATOM 0 HA LEU A 74 15.822 -15.050 13.499 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.686 -13.587 11.812 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.462 -13.175 12.997 1.00 0.00 H new ATOM 0 HG LEU A 74 15.221 -12.192 14.463 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.476 -11.770 13.541 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.150 -13.513 13.695 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.063 -12.729 12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.655 -10.203 13.008 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.199 -11.163 11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.983 -10.783 12.823 1.00 0.00 H new ATOM 1197 N TYR A 75 13.266 -14.768 15.548 1.00 0.00 N ATOM 1198 CA TYR A 75 12.955 -14.670 16.968 1.00 0.00 C ATOM 1199 C TYR A 75 13.678 -15.769 17.749 1.00 0.00 C ATOM 1200 O TYR A 75 14.005 -15.584 18.921 1.00 0.00 O ATOM 1201 CB TYR A 75 11.444 -14.795 17.177 1.00 0.00 C ATOM 1202 CG TYR A 75 10.582 -13.738 16.515 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.110 -12.494 16.132 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.223 -14.017 16.287 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.285 -11.531 15.537 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.397 -13.060 15.683 1.00 0.00 C ATOM 1207 CZ TYR A 75 8.924 -11.811 15.306 1.00 0.00 C ATOM 1208 OH TYR A 75 8.118 -10.879 14.723 1.00 0.00 O ATOM 0 H TYR A 75 12.464 -14.957 14.947 1.00 0.00 H new ATOM 0 HA TYR A 75 13.292 -13.700 17.334 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.128 -15.772 16.811 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.245 -14.777 18.248 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.156 -12.279 16.297 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.814 -14.973 16.579 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.693 -10.572 15.255 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.355 -13.281 15.507 1.00 0.00 H new ATOM 0 HH TYR A 75 7.210 -11.239 14.638 1.00 0.00 H new ATOM 1218 N ARG A 76 13.934 -16.916 17.103 1.00 0.00 N ATOM 1219 CA ARG A 76 14.625 -18.030 17.733 1.00 0.00 C ATOM 1220 C ARG A 76 16.110 -17.742 17.900 1.00 0.00 C ATOM 1221 O ARG A 76 16.744 -18.306 18.784 1.00 0.00 O ATOM 1222 CB ARG A 76 14.430 -19.290 16.881 1.00 0.00 C ATOM 1223 CG ARG A 76 12.972 -19.749 16.893 1.00 0.00 C ATOM 1224 CD ARG A 76 12.571 -20.293 18.264 1.00 0.00 C ATOM 1225 NE ARG A 76 11.182 -20.767 18.258 1.00 0.00 N ATOM 1226 CZ ARG A 76 10.573 -21.314 19.316 1.00 0.00 C ATOM 1227 NH1 ARG A 76 11.213 -21.461 20.473 1.00 0.00 N ATOM 1228 NH2 ARG A 76 9.312 -21.717 19.217 1.00 0.00 N ATOM 0 H ARG A 76 13.666 -17.089 16.134 1.00 0.00 H new ATOM 0 HA ARG A 76 14.203 -18.181 18.727 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.742 -19.090 15.856 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.068 -20.089 17.258 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.324 -18.914 16.627 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.825 -20.520 16.137 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.236 -21.110 18.543 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.689 -19.514 19.017 1.00 0.00 H new ATOM 0 HE ARG A 76 10.648 -20.674 17.394 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.182 -21.155 20.562 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.735 -21.880 21.271 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.810 -21.609 18.336 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.845 -22.134 20.022 1.00 0.00 H new ATOM 1242 N ILE A 77 16.679 -16.867 17.066 1.00 0.00 N ATOM 1243 CA ILE A 77 18.095 -16.538 17.198 1.00 0.00 C ATOM 1244 C ILE A 77 18.308 -15.692 18.448 1.00 0.00 C ATOM 1245 O ILE A 77 19.295 -15.882 19.155 1.00 0.00 O ATOM 1246 CB ILE A 77 18.612 -15.780 15.964 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.268 -16.469 14.635 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.132 -15.627 16.082 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.805 -17.895 14.519 1.00 0.00 C ATOM 0 H ILE A 77 16.192 -16.385 16.310 1.00 0.00 H new ATOM 0 HA ILE A 77 18.655 -17.470 17.281 1.00 0.00 H new ATOM 0 HB ILE A 77 18.114 -14.810 15.948 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.185 -16.489 14.517 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.667 -15.873 13.814 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.512 -15.091 15.213 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.372 -15.068 16.987 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.594 -16.613 16.131 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.521 -18.313 13.553 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.892 -17.883 14.604 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.386 -18.508 15.317 1.00 0.00 H new ATOM 1261 N ALA A 78 17.395 -14.759 18.725 1.00 0.00 N ATOM 1262 CA ALA A 78 17.572 -13.820 19.820 1.00 0.00 C ATOM 1263 C ALA A 78 17.397 -14.480 21.186 1.00 0.00 C ATOM 1264 O ALA A 78 18.098 -14.119 22.131 1.00 0.00 O ATOM 1265 CB ALA A 78 16.595 -12.662 19.640 1.00 0.00 C ATOM 0 H ALA A 78 16.527 -14.638 18.202 1.00 0.00 H new ATOM 0 HA ALA A 78 18.596 -13.447 19.793 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.719 -11.951 20.457 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.793 -12.163 18.691 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.574 -13.044 19.643 1.00 0.00 H new ATOM 1271 N VAL A 79 16.477 -15.441 21.314 1.00 0.00 N ATOM 1272 CA VAL A 79 16.285 -16.122 22.590 1.00 0.00 C ATOM 1273 C VAL A 79 17.407 -17.123 22.843 1.00 0.00 C ATOM 1274 O VAL A 79 17.751 -17.391 23.995 1.00 0.00 O ATOM 1275 CB VAL A 79 14.897 -16.768 22.647 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.693 -17.792 21.534 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.683 -17.460 23.990 1.00 0.00 C ATOM 0 H VAL A 79 15.865 -15.758 20.562 1.00 0.00 H new ATOM 0 HA VAL A 79 16.331 -15.389 23.395 1.00 0.00 H new ATOM 0 HB VAL A 79 14.173 -15.963 22.517 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.695 -18.223 21.615 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.800 -17.303 20.566 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.438 -18.582 21.625 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.692 -17.913 24.012 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.439 -18.234 24.125 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.765 -16.728 24.794 1.00 0.00 H new ATOM 1287 N ASN A 80 17.987 -17.681 21.778 1.00 0.00 N ATOM 1288 CA ASN A 80 19.102 -18.605 21.916 1.00 0.00 C ATOM 1289 C ASN A 80 20.402 -17.845 22.163 1.00 0.00 C ATOM 1290 O ASN A 80 21.360 -18.420 22.673 1.00 0.00 O ATOM 1291 CB ASN A 80 19.203 -19.481 20.664 1.00 0.00 C ATOM 1292 CG ASN A 80 18.046 -20.463 20.537 1.00 0.00 C ATOM 1293 OD1 ASN A 80 17.193 -20.558 21.414 1.00 0.00 O ATOM 1294 ND2 ASN A 80 18.007 -21.206 19.434 1.00 0.00 N ATOM 0 H ASN A 80 17.700 -17.506 20.815 1.00 0.00 H new ATOM 0 HA ASN A 80 18.928 -19.249 22.778 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.231 -18.843 19.781 1.00 0.00 H new ATOM 0 HB3 ASN A 80 20.142 -20.034 20.688 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.252 -21.879 19.299 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.732 -21.103 18.724 1.00 0.00 H new ATOM 1301 N THR A 81 20.454 -16.552 21.811 1.00 0.00 N ATOM 1302 CA THR A 81 21.638 -15.740 22.066 1.00 0.00 C ATOM 1303 C THR A 81 21.654 -15.286 23.520 1.00 0.00 C ATOM 1304 O THR A 81 22.721 -15.156 24.111 1.00 0.00 O ATOM 1305 CB THR A 81 21.664 -14.534 21.120 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.623 -14.976 19.784 1.00 0.00 O ATOM 1307 CG2 THR A 81 22.954 -13.738 21.296 1.00 0.00 C ATOM 0 H THR A 81 19.691 -16.054 21.352 1.00 0.00 H new ATOM 0 HA THR A 81 22.529 -16.340 21.881 1.00 0.00 H new ATOM 0 HB THR A 81 20.802 -13.909 21.354 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.694 -15.149 19.525 1.00 0.00 H new ATOM 0 HG21 THR A 81 22.952 -12.887 20.615 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.024 -13.381 22.323 1.00 0.00 H new ATOM 0 HG23 THR A 81 23.809 -14.377 21.075 1.00 0.00 H new ATOM 1315 N ALA A 82 20.478 -15.044 24.108 1.00 0.00 N ATOM 1316 CA ALA A 82 20.384 -14.581 25.482 1.00 0.00 C ATOM 1317 C ALA A 82 20.733 -15.697 26.457 1.00 0.00 C ATOM 1318 O ALA A 82 21.372 -15.451 27.480 1.00 0.00 O ATOM 1319 CB ALA A 82 18.965 -14.076 25.733 1.00 0.00 C ATOM 0 H ALA A 82 19.577 -15.164 23.644 1.00 0.00 H new ATOM 0 HA ALA A 82 21.097 -13.772 25.640 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.880 -13.725 26.762 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.745 -13.255 25.050 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.256 -14.887 25.567 1.00 0.00 H new ATOM 1325 N LYS A 83 20.318 -16.931 26.150 1.00 0.00 N ATOM 1326 CA LYS A 83 20.621 -18.069 27.003 1.00 0.00 C ATOM 1327 C LYS A 83 22.082 -18.481 26.838 1.00 0.00 C ATOM 1328 O LYS A 83 22.680 -19.012 27.773 1.00 0.00 O ATOM 1329 CB LYS A 83 19.666 -19.215 26.669 1.00 0.00 C ATOM 1330 CG LYS A 83 18.239 -18.830 27.075 1.00 0.00 C ATOM 1331 CD LYS A 83 17.250 -19.914 26.645 1.00 0.00 C ATOM 1332 CE LYS A 83 15.827 -19.544 27.068 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.681 -19.551 28.537 1.00 0.00 N ATOM 0 H LYS A 83 19.773 -17.159 25.318 1.00 0.00 H new ATOM 0 HA LYS A 83 20.479 -17.798 28.049 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.705 -19.435 25.602 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.972 -20.121 27.192 1.00 0.00 H new ATOM 0 HG2 LYS A 83 18.187 -18.689 28.155 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.968 -17.879 26.616 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.292 -20.043 25.563 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.531 -20.868 27.091 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.576 -18.556 26.681 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.121 -20.248 26.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.672 -19.516 28.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.103 -20.420 28.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.166 -18.723 28.938 1.00 0.00 H new ATOM 1347 N ASN A 84 22.660 -18.236 25.659 1.00 0.00 N ATOM 1348 CA ASN A 84 24.063 -18.530 25.409 1.00 0.00 C ATOM 1349 C ASN A 84 24.963 -17.453 26.010 1.00 0.00 C ATOM 1350 O ASN A 84 26.090 -17.739 26.404 1.00 0.00 O ATOM 1351 CB ASN A 84 24.279 -18.643 23.899 1.00 0.00 C ATOM 1352 CG ASN A 84 25.731 -18.951 23.566 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.151 -20.105 23.606 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.508 -17.925 23.234 1.00 0.00 N ATOM 0 H ASN A 84 22.169 -17.832 24.861 1.00 0.00 H new ATOM 0 HA ASN A 84 24.327 -19.474 25.886 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.638 -19.427 23.496 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.984 -17.711 23.417 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.489 -18.082 23.001 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.124 -16.980 23.212 1.00 0.00 H new