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+ 180:sc= 0.92 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 106:sc= 2.05 USER MOD Single : A 6 THR OG1 : rot 37:sc= 0.23 USER MOD Single : A 8 GLN : amide:sc= 0.416 X(o=0.42,f=-0.057) USER MOD Single : A 15 GLN : amide:sc= 0.871 K(o=0.87,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0656) USER MOD Single : A 19 GLN : amide:sc= -1.04 K(o=-1,f=-2.9!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00153 X(o=-0.0015,f=0) USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0132 X(o=-0.013,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+ 148:sc= 1.09 (180deg=0.304) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -33:sc= 0.215 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=-0.87) 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 16:sc= 1 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00719 K(o=-0.0072,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ -165:sc= -0.015 (180deg=-0.193) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.008 -6.538 1.068 1.00 0.00 N ATOM 83 CA THR A 6 9.674 -7.234 2.307 1.00 0.00 C ATOM 84 C THR A 6 10.818 -8.172 2.683 1.00 0.00 C ATOM 85 O THR A 6 11.763 -8.334 1.914 1.00 0.00 O ATOM 86 CB THR A 6 8.359 -7.998 2.098 1.00 0.00 C ATOM 87 OG1 THR A 6 7.365 -7.128 1.605 1.00 0.00 O ATOM 88 CG2 THR A 6 7.840 -8.603 3.402 1.00 0.00 C ATOM 0 HA THR A 6 9.539 -6.529 3.127 1.00 0.00 H new ATOM 0 HB THR A 6 8.568 -8.797 1.387 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.770 -6.487 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.908 -9.135 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.579 -9.298 3.800 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.662 -7.808 4.126 1.00 0.00 H new ATOM 96 N ASP A 7 10.748 -8.797 3.863 1.00 0.00 N ATOM 97 CA ASP A 7 11.778 -9.700 4.355 1.00 0.00 C ATOM 98 C ASP A 7 12.068 -10.831 3.369 1.00 0.00 C ATOM 99 O ASP A 7 13.103 -11.484 3.469 1.00 0.00 O ATOM 100 CB ASP A 7 11.355 -10.252 5.715 1.00 0.00 C ATOM 101 CG ASP A 7 10.062 -11.058 5.629 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.128 -12.214 5.150 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.015 -10.513 6.040 1.00 0.00 O ATOM 0 H ASP A 7 9.964 -8.685 4.506 1.00 0.00 H new ATOM 0 HA ASP A 7 12.706 -9.138 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.150 -10.883 6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.222 -9.427 6.415 1.00 0.00 H new ATOM 108 N GLN A 8 11.166 -11.075 2.414 1.00 0.00 N ATOM 109 CA GLN A 8 11.375 -12.088 1.396 1.00 0.00 C ATOM 110 C GLN A 8 12.526 -11.684 0.474 1.00 0.00 C ATOM 111 O GLN A 8 13.451 -12.460 0.250 1.00 0.00 O ATOM 112 CB GLN A 8 10.077 -12.253 0.599 1.00 0.00 C ATOM 113 CG GLN A 8 10.241 -13.223 -0.576 1.00 0.00 C ATOM 114 CD GLN A 8 10.624 -14.626 -0.113 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.760 -15.472 0.098 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.920 -14.880 0.048 1.00 0.00 N ATOM 0 H GLN A 8 10.280 -10.576 2.332 1.00 0.00 H new ATOM 0 HA GLN A 8 11.640 -13.036 1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.290 -12.615 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.756 -11.281 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.309 -13.270 -1.140 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.006 -12.844 -1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.609 -14.151 -0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.224 -15.803 0.357 1.00 0.00 H new ATOM 125 N VAL A 9 12.466 -10.464 -0.059 1.00 0.00 N ATOM 126 CA VAL A 9 13.451 -9.964 -1.010 1.00 0.00 C ATOM 127 C VAL A 9 14.652 -9.365 -0.280 1.00 0.00 C ATOM 128 O VAL A 9 15.753 -9.335 -0.825 1.00 0.00 O ATOM 129 CB VAL A 9 12.780 -8.959 -1.960 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.959 -7.924 -1.195 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.807 -8.237 -2.831 1.00 0.00 C ATOM 0 H VAL A 9 11.729 -9.794 0.159 1.00 0.00 H new ATOM 0 HA VAL A 9 13.834 -10.789 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 9 12.114 -9.538 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.500 -7.231 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.180 -8.428 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.610 -7.373 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.296 -7.535 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.507 -7.695 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.352 -8.966 -3.431 1.00 0.00 H new ATOM 141 N LEU A 10 14.459 -8.889 0.951 1.00 0.00 N ATOM 142 CA LEU A 10 15.556 -8.363 1.745 1.00 0.00 C ATOM 143 C LEU A 10 16.502 -9.485 2.160 1.00 0.00 C ATOM 144 O LEU A 10 17.690 -9.234 2.340 1.00 0.00 O ATOM 145 CB LEU A 10 14.996 -7.638 2.972 1.00 0.00 C ATOM 146 CG LEU A 10 14.858 -6.131 2.733 1.00 0.00 C ATOM 147 CD1 LEU A 10 13.997 -5.800 1.517 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.236 -5.483 3.969 1.00 0.00 C ATOM 0 H LEU A 10 13.551 -8.860 1.415 1.00 0.00 H new ATOM 0 HA LEU A 10 16.125 -7.653 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.022 -8.056 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.651 -7.811 3.826 1.00 0.00 H new ATOM 0 HG LEU A 10 15.858 -5.742 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 10 13.936 -4.718 1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.444 -6.238 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 10 12.996 -6.207 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.135 -4.410 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.253 -5.916 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.876 -5.660 4.833 1.00 0.00 H new ATOM 160 N VAL A 11 16.004 -10.718 2.314 1.00 0.00 N ATOM 161 CA VAL A 11 16.873 -11.836 2.657 1.00 0.00 C ATOM 162 C VAL A 11 17.550 -12.379 1.401 1.00 0.00 C ATOM 163 O VAL A 11 18.654 -12.910 1.477 1.00 0.00 O ATOM 164 CB VAL A 11 16.090 -12.920 3.402 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.935 -14.180 3.572 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.729 -12.416 4.798 1.00 0.00 C ATOM 0 H VAL A 11 15.019 -10.959 2.207 1.00 0.00 H new ATOM 0 HA VAL A 11 17.656 -11.487 3.330 1.00 0.00 H new ATOM 0 HB VAL A 11 15.197 -13.149 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.358 -14.936 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 11 17.218 -14.563 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.833 -13.942 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.171 -13.187 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.641 -12.183 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.117 -11.518 4.714 1.00 0.00 H new ATOM 176 N GLU A 12 16.912 -12.255 0.233 1.00 0.00 N ATOM 177 CA GLU A 12 17.545 -12.676 -1.009 1.00 0.00 C ATOM 178 C GLU A 12 18.656 -11.704 -1.397 1.00 0.00 C ATOM 179 O GLU A 12 19.680 -12.116 -1.937 1.00 0.00 O ATOM 180 CB GLU A 12 16.495 -12.739 -2.118 1.00 0.00 C ATOM 181 CG GLU A 12 15.561 -13.928 -1.920 1.00 0.00 C ATOM 182 CD GLU A 12 14.537 -14.010 -3.049 1.00 0.00 C ATOM 183 OE1 GLU A 12 13.516 -13.292 -2.962 1.00 0.00 O ATOM 184 OE2 GLU A 12 14.784 -14.795 -3.993 1.00 0.00 O ATOM 0 H GLU A 12 15.973 -11.872 0.127 1.00 0.00 H new ATOM 0 HA GLU A 12 17.984 -13.663 -0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.916 -11.815 -2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.988 -12.817 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.142 -14.850 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.047 -13.836 -0.963 1.00 0.00 H new ATOM 191 N ARG A 13 18.463 -10.410 -1.123 1.00 0.00 N ATOM 192 CA ARG A 13 19.420 -9.382 -1.507 1.00 0.00 C ATOM 193 C ARG A 13 20.705 -9.483 -0.685 1.00 0.00 C ATOM 194 O ARG A 13 21.790 -9.264 -1.216 1.00 0.00 O ATOM 195 CB ARG A 13 18.727 -8.027 -1.362 1.00 0.00 C ATOM 196 CG ARG A 13 19.645 -6.873 -1.768 1.00 0.00 C ATOM 197 CD ARG A 13 18.846 -5.575 -1.882 1.00 0.00 C ATOM 198 NE ARG A 13 17.884 -5.638 -2.989 1.00 0.00 N ATOM 199 CZ ARG A 13 17.007 -4.671 -3.282 1.00 0.00 C ATOM 200 NH1 ARG A 13 16.961 -3.556 -2.558 1.00 0.00 N ATOM 201 NH2 ARG A 13 16.170 -4.819 -4.305 1.00 0.00 N ATOM 0 H ARG A 13 17.643 -10.053 -0.632 1.00 0.00 H new ATOM 0 HA ARG A 13 19.732 -9.514 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.828 -8.011 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.407 -7.891 -0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.440 -6.755 -1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.124 -7.098 -2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.317 -5.387 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.527 -4.738 -2.036 1.00 0.00 H new ATOM 0 HE ARG A 13 17.884 -6.474 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.598 -3.432 -1.771 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.289 -2.825 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.196 -5.670 -4.867 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.502 -4.081 -4.528 1.00 0.00 H new ATOM 215 N VAL A 14 20.608 -9.818 0.603 1.00 0.00 N ATOM 216 CA VAL A 14 21.793 -9.974 1.441 1.00 0.00 C ATOM 217 C VAL A 14 22.540 -11.260 1.101 1.00 0.00 C ATOM 218 O VAL A 14 23.740 -11.355 1.356 1.00 0.00 O ATOM 219 CB VAL A 14 21.421 -9.930 2.923 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.744 -8.603 3.256 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.480 -11.059 3.312 1.00 0.00 C ATOM 0 H VAL A 14 19.725 -9.985 1.085 1.00 0.00 H new ATOM 0 HA VAL A 14 22.462 -9.138 1.237 1.00 0.00 H new ATOM 0 HB VAL A 14 22.349 -10.041 3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.483 -8.583 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.425 -7.781 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.839 -8.496 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.244 -10.986 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.561 -10.984 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.959 -12.017 3.112 1.00 0.00 H new ATOM 231 N GLN A 15 21.845 -12.249 0.525 1.00 0.00 N ATOM 232 CA GLN A 15 22.479 -13.472 0.052 1.00 0.00 C ATOM 233 C GLN A 15 23.171 -13.234 -1.292 1.00 0.00 C ATOM 234 O GLN A 15 24.003 -14.038 -1.713 1.00 0.00 O ATOM 235 CB GLN A 15 21.428 -14.575 -0.078 1.00 0.00 C ATOM 236 CG GLN A 15 20.934 -15.034 1.299 1.00 0.00 C ATOM 237 CD GLN A 15 19.809 -16.057 1.172 1.00 0.00 C ATOM 238 OE1 GLN A 15 19.271 -16.274 0.087 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.437 -16.704 2.271 1.00 0.00 N ATOM 0 H GLN A 15 20.836 -12.219 0.378 1.00 0.00 H new ATOM 0 HA GLN A 15 23.236 -13.781 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.586 -14.211 -0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.851 -15.423 -0.617 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.762 -15.469 1.858 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.583 -14.173 1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.898 -16.507 3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.691 -17.398 2.226 1.00 0.00 H new ATOM 248 N LYS A 16 22.830 -12.130 -1.970 1.00 0.00 N ATOM 249 CA LYS A 16 23.427 -11.747 -3.244 1.00 0.00 C ATOM 250 C LYS A 16 24.634 -10.826 -3.051 1.00 0.00 C ATOM 251 O LYS A 16 25.211 -10.355 -4.029 1.00 0.00 O ATOM 252 CB LYS A 16 22.348 -11.127 -4.130 1.00 0.00 C ATOM 253 CG LYS A 16 21.406 -12.240 -4.587 1.00 0.00 C ATOM 254 CD LYS A 16 20.159 -11.646 -5.240 1.00 0.00 C ATOM 255 CE LYS A 16 19.139 -12.752 -5.510 1.00 0.00 C ATOM 256 NZ LYS A 16 19.629 -13.712 -6.518 1.00 0.00 N ATOM 0 H LYS A 16 22.122 -11.474 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 16 23.816 -12.634 -3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.797 -10.365 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.800 -10.635 -4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.919 -12.892 -5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 16 21.120 -12.856 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.723 -10.888 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.427 -11.150 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.920 -13.279 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.204 -12.309 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.868 -14.377 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.926 -13.198 -7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.438 -14.238 -6.131 1.00 0.00 H new ATOM 270 N GLY A 17 25.021 -10.569 -1.795 1.00 0.00 N ATOM 271 CA GLY A 17 26.236 -9.831 -1.476 1.00 0.00 C ATOM 272 C GLY A 17 25.966 -8.381 -1.079 1.00 0.00 C ATOM 273 O GLY A 17 26.908 -7.637 -0.816 1.00 0.00 O ATOM 0 H GLY A 17 24.495 -10.870 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.757 -10.334 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.902 -9.848 -2.339 1.00 0.00 H new ATOM 277 N ASP A 18 24.694 -7.972 -1.035 1.00 0.00 N ATOM 278 CA ASP A 18 24.323 -6.621 -0.658 1.00 0.00 C ATOM 279 C ASP A 18 23.992 -6.582 0.831 1.00 0.00 C ATOM 280 O ASP A 18 22.829 -6.670 1.222 1.00 0.00 O ATOM 281 CB ASP A 18 23.140 -6.183 -1.522 1.00 0.00 C ATOM 282 CG ASP A 18 23.595 -5.765 -2.917 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.282 -4.724 -3.009 1.00 0.00 O ATOM 284 OD2 ASP A 18 23.256 -6.487 -3.882 1.00 0.00 O ATOM 0 H ASP A 18 23.901 -8.573 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 18 25.147 -5.927 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.423 -7.000 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.624 -5.352 -1.041 1.00 0.00 H new ATOM 289 N GLN A 19 25.026 -6.446 1.664 1.00 0.00 N ATOM 290 CA GLN A 19 24.878 -6.413 3.114 1.00 0.00 C ATOM 291 C GLN A 19 24.136 -5.151 3.552 1.00 0.00 C ATOM 292 O GLN A 19 23.618 -5.091 4.667 1.00 0.00 O ATOM 293 CB GLN A 19 26.273 -6.537 3.735 1.00 0.00 C ATOM 294 CG GLN A 19 26.247 -6.645 5.266 1.00 0.00 C ATOM 295 CD GLN A 19 26.188 -5.293 5.973 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.344 -4.238 5.362 1.00 0.00 O ATOM 297 NE2 GLN A 19 25.957 -5.312 7.283 1.00 0.00 N ATOM 0 H GLN A 19 25.991 -6.356 1.347 1.00 0.00 H new ATOM 0 HA GLN A 19 24.270 -7.247 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.770 -7.416 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.869 -5.671 3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.384 -7.240 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.135 -7.181 5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.831 -6.202 7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 19 25.906 -4.437 7.805 1.00 0.00 H new ATOM 306 N LYS A 20 24.073 -4.140 2.682 1.00 0.00 N ATOM 307 CA LYS A 20 23.348 -2.906 2.963 1.00 0.00 C ATOM 308 C LYS A 20 21.865 -3.192 3.195 1.00 0.00 C ATOM 309 O LYS A 20 21.190 -2.423 3.878 1.00 0.00 O ATOM 310 CB LYS A 20 23.545 -1.948 1.782 1.00 0.00 C ATOM 311 CG LYS A 20 22.915 -2.509 0.503 1.00 0.00 C ATOM 312 CD LYS A 20 23.231 -1.609 -0.690 1.00 0.00 C ATOM 313 CE LYS A 20 22.537 -2.161 -1.936 1.00 0.00 C ATOM 314 NZ LYS A 20 22.880 -1.366 -3.129 1.00 0.00 N ATOM 0 H LYS A 20 24.523 -4.157 1.767 1.00 0.00 H new ATOM 0 HA LYS A 20 23.735 -2.448 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.099 -0.981 2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.610 -1.778 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.291 -3.515 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 20 21.835 -2.591 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 20 22.894 -0.592 -0.492 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.308 -1.562 -0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 20 22.831 -3.199 -2.090 1.00 0.00 H new ATOM 0 HE3 LYS A 20 21.457 -2.154 -1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.396 -1.761 -3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 22.578 -0.381 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 23.908 -1.394 -3.281 1.00 0.00 H new ATOM 328 N ALA A 21 21.352 -4.292 2.633 1.00 0.00 N ATOM 329 CA ALA A 21 19.959 -4.664 2.816 1.00 0.00 C ATOM 330 C ALA A 21 19.752 -5.371 4.149 1.00 0.00 C ATOM 331 O ALA A 21 18.626 -5.448 4.630 1.00 0.00 O ATOM 332 CB ALA A 21 19.508 -5.535 1.644 1.00 0.00 C ATOM 0 H ALA A 21 21.887 -4.935 2.049 1.00 0.00 H new ATOM 0 HA ALA A 21 19.348 -3.762 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.463 -5.815 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.616 -4.978 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.122 -6.435 1.602 1.00 0.00 H new ATOM 338 N PHE A 22 20.825 -5.891 4.757 1.00 0.00 N ATOM 339 CA PHE A 22 20.712 -6.530 6.055 1.00 0.00 C ATOM 340 C PHE A 22 20.589 -5.459 7.130 1.00 0.00 C ATOM 341 O PHE A 22 19.858 -5.635 8.096 1.00 0.00 O ATOM 342 CB PHE A 22 21.924 -7.428 6.322 1.00 0.00 C ATOM 343 CG PHE A 22 21.784 -8.211 7.604 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.769 -9.170 7.731 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.662 -7.978 8.674 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.633 -9.897 8.922 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.523 -8.700 9.869 1.00 0.00 C ATOM 348 CZ PHE A 22 21.507 -9.659 9.991 1.00 0.00 C ATOM 0 H PHE A 22 21.768 -5.878 4.369 1.00 0.00 H new ATOM 0 HA PHE A 22 19.822 -7.159 6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.052 -8.119 5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.824 -6.815 6.369 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.091 -9.349 6.910 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.446 -7.242 8.577 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.855 -10.640 9.015 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.197 -8.518 10.693 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.398 -10.215 10.910 1.00 0.00 H new ATOM 358 N ASN A 23 21.298 -4.343 6.961 1.00 0.00 N ATOM 359 CA ASN A 23 21.227 -3.230 7.891 1.00 0.00 C ATOM 360 C ASN A 23 19.809 -2.661 7.915 1.00 0.00 C ATOM 361 O ASN A 23 19.288 -2.322 8.975 1.00 0.00 O ATOM 362 CB ASN A 23 22.226 -2.178 7.414 1.00 0.00 C ATOM 363 CG ASN A 23 21.984 -0.819 8.046 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.369 -0.574 9.185 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.338 0.073 7.305 1.00 0.00 N ATOM 0 H ASN A 23 21.933 -4.191 6.178 1.00 0.00 H new ATOM 0 HA ASN A 23 21.470 -3.549 8.905 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.238 -2.509 7.648 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.164 -2.087 6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.145 1.002 7.678 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.035 -0.171 6.362 1.00 0.00 H new ATOM 372 N LEU A 24 19.186 -2.566 6.738 1.00 0.00 N ATOM 373 CA LEU A 24 17.820 -2.089 6.616 1.00 0.00 C ATOM 374 C LEU A 24 16.817 -3.158 7.057 1.00 0.00 C ATOM 375 O LEU A 24 15.669 -2.837 7.355 1.00 0.00 O ATOM 376 CB LEU A 24 17.565 -1.684 5.167 1.00 0.00 C ATOM 377 CG LEU A 24 18.477 -0.539 4.715 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.276 -0.304 3.222 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.167 0.749 5.477 1.00 0.00 C ATOM 0 H LEU A 24 19.619 -2.818 5.849 1.00 0.00 H new ATOM 0 HA LEU A 24 17.686 -1.227 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.719 -2.546 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.524 -1.383 5.054 1.00 0.00 H new ATOM 0 HG LEU A 24 19.511 -0.816 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 24 18.922 0.510 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.527 -1.212 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.235 -0.042 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.830 1.543 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.132 1.038 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.318 0.586 6.544 1.00 0.00 H new ATOM 391 N LEU A 25 17.238 -4.424 7.101 1.00 0.00 N ATOM 392 CA LEU A 25 16.383 -5.516 7.543 1.00 0.00 C ATOM 393 C LEU A 25 16.379 -5.634 9.064 1.00 0.00 C ATOM 394 O LEU A 25 15.312 -5.754 9.664 1.00 0.00 O ATOM 395 CB LEU A 25 16.853 -6.807 6.865 1.00 0.00 C ATOM 396 CG LEU A 25 16.032 -8.035 7.270 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.566 -7.908 6.865 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.625 -9.255 6.569 1.00 0.00 C ATOM 0 H LEU A 25 18.178 -4.715 6.832 1.00 0.00 H new ATOM 0 HA LEU A 25 15.351 -5.319 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.799 -6.682 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.900 -6.980 7.114 1.00 0.00 H new ATOM 0 HG LEU A 25 16.072 -8.129 8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.025 -8.802 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.129 -7.035 7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.496 -7.796 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.056 -10.144 6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.579 -9.112 5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.664 -9.381 6.874 1.00 0.00 H new ATOM 410 N VAL A 26 17.553 -5.603 9.702 1.00 0.00 N ATOM 411 CA VAL A 26 17.605 -5.803 11.143 1.00 0.00 C ATOM 412 C VAL A 26 16.965 -4.644 11.891 1.00 0.00 C ATOM 413 O VAL A 26 16.517 -4.849 13.010 1.00 0.00 O ATOM 414 CB VAL A 26 19.032 -6.023 11.661 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.708 -7.199 10.963 1.00 0.00 C ATOM 416 CG2 VAL A 26 19.887 -4.766 11.522 1.00 0.00 C ATOM 0 H VAL A 26 18.455 -5.445 9.253 1.00 0.00 H new ATOM 0 HA VAL A 26 17.035 -6.712 11.336 1.00 0.00 H new ATOM 0 HB VAL A 26 18.945 -6.258 12.722 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.717 -7.324 11.356 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.133 -8.108 11.142 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.757 -7.007 9.891 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.890 -4.964 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 26 19.945 -4.480 10.472 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.437 -3.955 12.095 1.00 0.00 H new ATOM 426 N VAL A 27 16.907 -3.441 11.309 1.00 0.00 N ATOM 427 CA VAL A 27 16.327 -2.305 12.019 1.00 0.00 C ATOM 428 C VAL A 27 14.810 -2.461 12.151 1.00 0.00 C ATOM 429 O VAL A 27 14.219 -1.932 13.087 1.00 0.00 O ATOM 430 CB VAL A 27 16.739 -0.989 11.349 1.00 0.00 C ATOM 431 CG1 VAL A 27 16.156 -0.863 9.944 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.284 0.205 12.185 1.00 0.00 C ATOM 0 H VAL A 27 17.247 -3.235 10.370 1.00 0.00 H new ATOM 0 HA VAL A 27 16.721 -2.279 13.035 1.00 0.00 H new ATOM 0 HB VAL A 27 17.827 -0.996 11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 27 16.471 0.083 9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.512 -1.688 9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.068 -0.894 9.998 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.586 1.130 11.693 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.199 0.185 12.287 1.00 0.00 H new ATOM 0 HG23 VAL A 27 16.742 0.153 13.173 1.00 0.00 H new ATOM 442 N ARG A 28 14.170 -3.188 11.223 1.00 0.00 N ATOM 443 CA ARG A 28 12.739 -3.462 11.323 1.00 0.00 C ATOM 444 C ARG A 28 12.477 -4.386 12.507 1.00 0.00 C ATOM 445 O ARG A 28 11.429 -4.310 13.144 1.00 0.00 O ATOM 446 CB ARG A 28 12.246 -4.147 10.042 1.00 0.00 C ATOM 447 CG ARG A 28 12.679 -3.416 8.774 1.00 0.00 C ATOM 448 CD ARG A 28 12.112 -4.114 7.536 1.00 0.00 C ATOM 449 NE ARG A 28 10.650 -3.986 7.459 1.00 0.00 N ATOM 450 CZ ARG A 28 10.009 -3.050 6.753 1.00 0.00 C ATOM 451 NH1 ARG A 28 10.676 -2.135 6.057 1.00 0.00 N ATOM 452 NH2 ARG A 28 8.683 -3.012 6.734 1.00 0.00 N ATOM 0 H ARG A 28 14.622 -3.592 10.402 1.00 0.00 H new ATOM 0 HA ARG A 28 12.209 -2.520 11.461 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.624 -5.169 10.014 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.158 -4.210 10.065 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.334 -2.383 8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.767 -3.387 8.717 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.562 -3.687 6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.384 -5.169 7.557 1.00 0.00 H new ATOM 0 HE ARG A 28 10.086 -4.658 7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.696 -2.139 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.168 -1.429 5.524 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.145 -3.700 7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.201 -2.294 6.193 1.00 0.00 H new ATOM 466 N TYR A 29 13.447 -5.257 12.793 1.00 0.00 N ATOM 467 CA TYR A 29 13.333 -6.233 13.862 1.00 0.00 C ATOM 468 C TYR A 29 14.099 -5.829 15.116 1.00 0.00 C ATOM 469 O TYR A 29 13.958 -6.478 16.143 1.00 0.00 O ATOM 470 CB TYR A 29 13.790 -7.584 13.326 1.00 0.00 C ATOM 471 CG TYR A 29 12.833 -8.133 12.292 1.00 0.00 C ATOM 472 CD1 TYR A 29 12.971 -7.785 10.944 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.796 -8.983 12.697 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.059 -8.267 9.992 1.00 0.00 C ATOM 475 CE2 TYR A 29 10.888 -9.479 11.756 1.00 0.00 C ATOM 476 CZ TYR A 29 11.012 -9.121 10.397 1.00 0.00 C ATOM 477 OH TYR A 29 10.127 -9.603 9.479 1.00 0.00 O ATOM 0 H TYR A 29 14.331 -5.300 12.286 1.00 0.00 H new ATOM 0 HA TYR A 29 12.291 -6.293 14.176 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.782 -7.483 12.885 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.878 -8.291 14.151 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.782 -7.143 10.635 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.697 -9.256 13.737 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.159 -7.985 8.954 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.091 -10.137 12.070 1.00 0.00 H new ATOM 0 HH TYR A 29 10.571 -9.688 8.610 1.00 0.00 H new ATOM 487 N GLN A 30 14.905 -4.770 15.051 1.00 0.00 N ATOM 488 CA GLN A 30 15.721 -4.333 16.171 1.00 0.00 C ATOM 489 C GLN A 30 14.845 -3.935 17.351 1.00 0.00 C ATOM 490 O GLN A 30 15.260 -4.056 18.501 1.00 0.00 O ATOM 491 CB GLN A 30 16.601 -3.179 15.692 1.00 0.00 C ATOM 492 CG GLN A 30 17.604 -2.729 16.747 1.00 0.00 C ATOM 493 CD GLN A 30 18.557 -1.698 16.154 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.561 -0.535 16.552 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.376 -2.117 15.195 1.00 0.00 N ATOM 0 H GLN A 30 15.007 -4.193 14.216 1.00 0.00 H new ATOM 0 HA GLN A 30 16.358 -5.145 16.522 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.137 -3.485 14.794 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.969 -2.336 15.414 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.079 -2.302 17.601 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.167 -3.587 17.115 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.347 -3.089 14.888 1.00 0.00 H new ATOM 0 HE22 GLN A 30 20.034 -1.466 14.766 1.00 0.00 H new ATOM 504 N HIS A 31 13.626 -3.462 17.071 1.00 0.00 N ATOM 505 CA HIS A 31 12.674 -3.138 18.121 1.00 0.00 C ATOM 506 C HIS A 31 11.871 -4.369 18.528 1.00 0.00 C ATOM 507 O HIS A 31 11.460 -4.485 19.682 1.00 0.00 O ATOM 508 CB HIS A 31 11.748 -2.034 17.621 1.00 0.00 C ATOM 509 CG HIS A 31 12.477 -0.754 17.302 1.00 0.00 C ATOM 510 ND1 HIS A 31 12.732 -0.266 16.017 1.00 0.00 N ATOM 511 CD2 HIS A 31 12.990 0.113 18.224 1.00 0.00 C ATOM 512 CE1 HIS A 31 13.406 0.883 16.201 1.00 0.00 C ATOM 513 NE2 HIS A 31 13.575 1.133 17.512 1.00 0.00 N ATOM 0 H HIS A 31 13.282 -3.298 16.125 1.00 0.00 H new ATOM 0 HA HIS A 31 13.213 -2.793 19.003 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.227 -2.381 16.729 1.00 0.00 H new ATOM 0 HB3 HIS A 31 10.988 -1.834 18.377 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.945 0.016 19.299 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.763 1.519 15.404 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.055 1.941 17.909 1.00 0.00 H new ATOM 521 N LYS A 32 11.642 -5.296 17.587 1.00 0.00 N ATOM 522 CA LYS A 32 10.854 -6.495 17.856 1.00 0.00 C ATOM 523 C LYS A 32 11.629 -7.521 18.676 1.00 0.00 C ATOM 524 O LYS A 32 11.067 -8.120 19.592 1.00 0.00 O ATOM 525 CB LYS A 32 10.396 -7.111 16.530 1.00 0.00 C ATOM 526 CG LYS A 32 9.471 -6.152 15.782 1.00 0.00 C ATOM 527 CD LYS A 32 9.081 -6.762 14.434 1.00 0.00 C ATOM 528 CE LYS A 32 8.066 -5.876 13.711 1.00 0.00 C ATOM 529 NZ LYS A 32 8.607 -4.527 13.449 1.00 0.00 N ATOM 0 H LYS A 32 11.995 -5.233 16.632 1.00 0.00 H new ATOM 0 HA LYS A 32 9.987 -6.202 18.448 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.263 -7.344 15.912 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.878 -8.051 16.719 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.578 -5.955 16.375 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.970 -5.195 15.629 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.969 -6.885 13.815 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.659 -7.755 14.587 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.781 -6.343 12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.161 -5.794 14.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.203 -4.157 12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.358 -3.894 14.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.642 -4.579 13.361 1.00 0.00 H new ATOM 543 N VAL A 33 12.911 -7.742 18.367 1.00 0.00 N ATOM 544 CA VAL A 33 13.685 -8.750 19.077 1.00 0.00 C ATOM 545 C VAL A 33 14.189 -8.212 20.409 1.00 0.00 C ATOM 546 O VAL A 33 14.433 -8.992 21.325 1.00 0.00 O ATOM 547 CB VAL A 33 14.837 -9.290 18.223 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.329 -9.777 16.868 1.00 0.00 C ATOM 549 CG2 VAL A 33 15.953 -8.266 18.029 1.00 0.00 C ATOM 0 H VAL A 33 13.423 -7.242 17.640 1.00 0.00 H new ATOM 0 HA VAL A 33 13.019 -9.588 19.283 1.00 0.00 H new ATOM 0 HB VAL A 33 15.260 -10.132 18.770 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.165 -10.155 16.280 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.601 -10.574 17.018 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.858 -8.950 16.337 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.743 -8.701 17.417 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.553 -7.382 17.532 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.360 -7.983 19.000 1.00 0.00 H new ATOM 559 N ALA A 34 14.346 -6.891 20.535 1.00 0.00 N ATOM 560 CA ALA A 34 14.750 -6.303 21.803 1.00 0.00 C ATOM 561 C ALA A 34 13.610 -6.399 22.816 1.00 0.00 C ATOM 562 O ALA A 34 13.854 -6.353 24.020 1.00 0.00 O ATOM 563 CB ALA A 34 15.159 -4.850 21.584 1.00 0.00 C ATOM 0 H ALA A 34 14.200 -6.220 19.781 1.00 0.00 H new ATOM 0 HA ALA A 34 15.604 -6.852 22.201 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.462 -4.410 22.534 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.993 -4.808 20.883 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.315 -4.292 21.178 1.00 0.00 H new ATOM 569 N SER A 35 12.370 -6.540 22.336 1.00 0.00 N ATOM 570 CA SER A 35 11.213 -6.658 23.212 1.00 0.00 C ATOM 571 C SER A 35 11.131 -8.059 23.798 1.00 0.00 C ATOM 572 O SER A 35 10.838 -8.222 24.983 1.00 0.00 O ATOM 573 CB SER A 35 9.947 -6.352 22.410 1.00 0.00 C ATOM 574 OG SER A 35 8.821 -6.373 23.263 1.00 0.00 O ATOM 0 H SER A 35 12.148 -6.575 21.341 1.00 0.00 H new ATOM 0 HA SER A 35 11.309 -5.948 24.033 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.035 -5.376 21.933 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.824 -7.086 21.613 1.00 0.00 H new ATOM 0 HG SER A 35 8.014 -6.175 22.744 1.00 0.00 H new ATOM 580 N LEU A 36 11.394 -9.075 22.972 1.00 0.00 N ATOM 581 CA LEU A 36 11.300 -10.456 23.418 1.00 0.00 C ATOM 582 C LEU A 36 12.571 -10.922 24.120 1.00 0.00 C ATOM 583 O LEU A 36 12.508 -11.840 24.932 1.00 0.00 O ATOM 584 CB LEU A 36 10.908 -11.355 22.239 1.00 0.00 C ATOM 585 CG LEU A 36 11.981 -11.485 21.152 1.00 0.00 C ATOM 586 CD1 LEU A 36 13.004 -12.579 21.465 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.312 -11.873 19.834 1.00 0.00 C ATOM 0 H LEU A 36 11.672 -8.962 21.997 1.00 0.00 H new ATOM 0 HA LEU A 36 10.514 -10.527 24.170 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.673 -12.349 22.619 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.997 -10.963 21.787 1.00 0.00 H new ATOM 0 HG LEU A 36 12.491 -10.523 21.096 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.741 -12.628 20.663 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.506 -12.350 22.405 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.495 -13.539 21.550 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.069 -11.967 19.056 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.795 -12.825 19.955 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.594 -11.104 19.550 1.00 0.00 H new ATOM 599 N VAL A 37 13.721 -10.307 23.825 1.00 0.00 N ATOM 600 CA VAL A 37 14.981 -10.726 24.429 1.00 0.00 C ATOM 601 C VAL A 37 15.243 -10.003 25.750 1.00 0.00 C ATOM 602 O VAL A 37 16.040 -10.474 26.557 1.00 0.00 O ATOM 603 CB VAL A 37 16.121 -10.594 23.417 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.662 -9.173 23.337 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.271 -11.522 23.788 1.00 0.00 C ATOM 0 H VAL A 37 13.801 -9.524 23.176 1.00 0.00 H new ATOM 0 HA VAL A 37 14.915 -11.782 24.692 1.00 0.00 H new ATOM 0 HB VAL A 37 15.705 -10.865 22.446 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.469 -9.132 22.605 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.863 -8.496 23.035 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.042 -8.873 24.314 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.074 -11.416 23.058 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.644 -11.261 24.778 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.919 -12.554 23.793 1.00 0.00 H new ATOM 615 N SER A 38 14.578 -8.866 25.987 1.00 0.00 N ATOM 616 CA SER A 38 14.664 -8.181 27.273 1.00 0.00 C ATOM 617 C SER A 38 13.975 -9.026 28.350 1.00 0.00 C ATOM 618 O SER A 38 14.069 -8.734 29.540 1.00 0.00 O ATOM 619 CB SER A 38 14.018 -6.800 27.158 1.00 0.00 C ATOM 620 OG SER A 38 14.198 -6.075 28.356 1.00 0.00 O ATOM 0 H SER A 38 13.977 -8.405 25.304 1.00 0.00 H new ATOM 0 HA SER A 38 15.708 -8.049 27.557 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.458 -6.253 26.324 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.954 -6.905 26.944 1.00 0.00 H new ATOM 0 HG SER A 38 14.196 -6.694 29.116 1.00 0.00 H new ATOM 626 N ARG A 39 13.275 -10.085 27.923 1.00 0.00 N ATOM 627 CA ARG A 39 12.602 -11.021 28.813 1.00 0.00 C ATOM 628 C ARG A 39 13.514 -12.185 29.202 1.00 0.00 C ATOM 629 O ARG A 39 13.120 -13.022 30.013 1.00 0.00 O ATOM 630 CB ARG A 39 11.317 -11.520 28.145 1.00 0.00 C ATOM 631 CG ARG A 39 10.501 -10.344 27.605 1.00 0.00 C ATOM 632 CD ARG A 39 9.233 -10.839 26.910 1.00 0.00 C ATOM 633 NE ARG A 39 8.605 -9.744 26.162 1.00 0.00 N ATOM 634 CZ ARG A 39 7.311 -9.680 25.834 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.468 -10.646 26.187 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.855 -8.640 25.145 1.00 0.00 N ATOM 0 H ARG A 39 13.163 -10.313 26.935 1.00 0.00 H new ATOM 0 HA ARG A 39 12.346 -10.503 29.737 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.564 -12.202 27.332 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.722 -12.083 28.864 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.235 -9.674 28.422 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.105 -9.768 26.904 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.476 -11.658 26.234 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.534 -11.232 27.649 1.00 0.00 H new ATOM 0 HE ARG A 39 9.203 -8.971 25.869 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.806 -11.450 26.716 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.483 -10.583 25.929 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.492 -7.893 24.868 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.868 -8.588 24.893 1.00 0.00 H new ATOM 650 N TYR A 40 14.723 -12.243 28.630 1.00 0.00 N ATOM 651 CA TYR A 40 15.677 -13.307 28.913 1.00 0.00 C ATOM 652 C TYR A 40 17.004 -12.757 29.442 1.00 0.00 C ATOM 653 O TYR A 40 17.814 -13.527 29.953 1.00 0.00 O ATOM 654 CB TYR A 40 15.892 -14.147 27.651 1.00 0.00 C ATOM 655 CG TYR A 40 14.645 -14.854 27.168 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.152 -15.965 27.870 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.986 -14.402 26.017 1.00 0.00 C ATOM 658 CE1 TYR A 40 12.986 -16.613 27.431 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.823 -15.044 25.569 1.00 0.00 C ATOM 660 CZ TYR A 40 12.318 -16.152 26.278 1.00 0.00 C ATOM 661 OH TYR A 40 11.186 -16.778 25.848 1.00 0.00 O ATOM 0 H TYR A 40 15.061 -11.552 27.960 1.00 0.00 H new ATOM 0 HA TYR A 40 15.265 -13.939 29.699 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.264 -13.501 26.855 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.666 -14.889 27.847 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.670 -16.322 28.748 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.376 -13.555 25.472 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.602 -17.463 27.975 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.316 -14.690 24.683 1.00 0.00 H new ATOM 0 HH TYR A 40 10.852 -16.333 25.041 1.00 0.00 H new ATOM 671 N VAL A 41 17.230 -11.446 29.330 1.00 0.00 N ATOM 672 CA VAL A 41 18.396 -10.778 29.906 1.00 0.00 C ATOM 673 C VAL A 41 17.985 -9.391 30.400 1.00 0.00 C ATOM 674 O VAL A 41 17.020 -8.823 29.893 1.00 0.00 O ATOM 675 CB VAL A 41 19.552 -10.663 28.898 1.00 0.00 C ATOM 676 CG1 VAL A 41 20.266 -12.003 28.723 1.00 0.00 C ATOM 677 CG2 VAL A 41 19.076 -10.153 27.541 1.00 0.00 C ATOM 0 H VAL A 41 16.603 -10.814 28.832 1.00 0.00 H new ATOM 0 HA VAL A 41 18.757 -11.381 30.739 1.00 0.00 H new ATOM 0 HB VAL A 41 20.254 -9.937 29.308 1.00 0.00 H new ATOM 0 HG11 VAL A 41 21.078 -11.891 28.005 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.671 -12.327 29.682 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.558 -12.747 28.358 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.924 -10.087 26.859 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.335 -10.841 27.133 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.628 -9.166 27.660 1.00 0.00 H new ATOM 687 N PRO A 42 18.703 -8.832 31.386 1.00 0.00 N ATOM 688 CA PRO A 42 18.395 -7.533 31.958 1.00 0.00 C ATOM 689 C PRO A 42 18.635 -6.416 30.945 1.00 0.00 C ATOM 690 O PRO A 42 19.295 -6.618 29.926 1.00 0.00 O ATOM 691 CB PRO A 42 19.318 -7.400 33.172 1.00 0.00 C ATOM 692 CG PRO A 42 20.521 -8.252 32.778 1.00 0.00 C ATOM 693 CD PRO A 42 19.869 -9.410 32.027 1.00 0.00 C ATOM 0 HA PRO A 42 17.346 -7.451 32.243 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.599 -6.363 33.354 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.844 -7.766 34.083 1.00 0.00 H new ATOM 0 HG2 PRO A 42 21.220 -7.702 32.148 1.00 0.00 H new ATOM 0 HG3 PRO A 42 21.079 -8.595 33.649 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.551 -9.838 31.293 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.588 -10.213 32.708 1.00 0.00 H new ATOM 701 N SER A 43 18.095 -5.230 31.229 1.00 0.00 N ATOM 702 CA SER A 43 18.168 -4.087 30.326 1.00 0.00 C ATOM 703 C SER A 43 19.597 -3.568 30.148 1.00 0.00 C ATOM 704 O SER A 43 19.840 -2.736 29.277 1.00 0.00 O ATOM 705 CB SER A 43 17.260 -2.977 30.849 1.00 0.00 C ATOM 706 OG SER A 43 17.682 -2.578 32.137 1.00 0.00 O ATOM 0 H SER A 43 17.593 -5.037 32.096 1.00 0.00 H new ATOM 0 HA SER A 43 17.832 -4.416 29.342 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.283 -2.125 30.169 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.228 -3.327 30.887 1.00 0.00 H new ATOM 0 HG SER A 43 17.097 -1.864 32.467 1.00 0.00 H new ATOM 712 N GLY A 44 20.540 -4.050 30.960 1.00 0.00 N ATOM 713 CA GLY A 44 21.942 -3.677 30.833 1.00 0.00 C ATOM 714 C GLY A 44 22.695 -4.587 29.866 1.00 0.00 C ATOM 715 O GLY A 44 23.771 -4.223 29.394 1.00 0.00 O ATOM 0 H GLY A 44 20.351 -4.706 31.718 1.00 0.00 H new ATOM 0 HA2 GLY A 44 22.012 -2.645 30.488 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.417 -3.718 31.813 1.00 0.00 H new ATOM 719 N ASP A 45 22.136 -5.766 29.567 1.00 0.00 N ATOM 720 CA ASP A 45 22.759 -6.738 28.677 1.00 0.00 C ATOM 721 C ASP A 45 21.921 -6.972 27.421 1.00 0.00 C ATOM 722 O ASP A 45 22.355 -7.669 26.506 1.00 0.00 O ATOM 723 CB ASP A 45 22.978 -8.047 29.433 1.00 0.00 C ATOM 724 CG ASP A 45 23.941 -7.882 30.610 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.885 -7.071 30.489 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.723 -8.572 31.629 1.00 0.00 O ATOM 0 H ASP A 45 21.236 -6.068 29.940 1.00 0.00 H new ATOM 0 HA ASP A 45 23.720 -6.342 28.350 1.00 0.00 H new ATOM 0 HB2 ASP A 45 22.020 -8.418 29.799 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.370 -8.799 28.748 1.00 0.00 H new ATOM 731 N VAL A 46 20.717 -6.392 27.359 1.00 0.00 N ATOM 732 CA VAL A 46 19.827 -6.593 26.225 1.00 0.00 C ATOM 733 C VAL A 46 20.361 -5.992 24.915 1.00 0.00 C ATOM 734 O VAL A 46 20.095 -6.580 23.869 1.00 0.00 O ATOM 735 CB VAL A 46 18.422 -6.079 26.570 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.330 -4.561 26.636 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.403 -6.571 25.549 1.00 0.00 C ATOM 0 H VAL A 46 20.342 -5.781 28.084 1.00 0.00 H new ATOM 0 HA VAL A 46 19.773 -7.665 26.037 1.00 0.00 H new ATOM 0 HB VAL A 46 18.205 -6.475 27.562 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.310 -4.269 26.884 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.011 -4.188 27.401 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.604 -4.138 25.670 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.414 -6.196 25.812 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.677 -6.209 24.558 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.388 -7.661 25.546 1.00 0.00 H new ATOM 747 N PRO A 47 21.097 -4.864 24.890 1.00 0.00 N ATOM 748 CA PRO A 47 21.504 -4.278 23.621 1.00 0.00 C ATOM 749 C PRO A 47 22.656 -5.058 22.991 1.00 0.00 C ATOM 750 O PRO A 47 22.824 -5.026 21.772 1.00 0.00 O ATOM 751 CB PRO A 47 21.940 -2.859 23.967 1.00 0.00 C ATOM 752 CG PRO A 47 22.509 -3.022 25.372 1.00 0.00 C ATOM 753 CD PRO A 47 21.584 -4.060 25.997 1.00 0.00 C ATOM 0 HA PRO A 47 20.695 -4.297 22.891 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.687 -2.482 23.268 1.00 0.00 H new ATOM 0 HB3 PRO A 47 21.103 -2.161 23.947 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.544 -3.364 25.351 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.494 -2.083 25.925 1.00 0.00 H new ATOM 0 HD2 PRO A 47 22.117 -4.674 26.723 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.760 -3.583 26.527 1.00 0.00 H new ATOM 761 N ASP A 48 23.449 -5.757 23.808 1.00 0.00 N ATOM 762 CA ASP A 48 24.587 -6.510 23.305 1.00 0.00 C ATOM 763 C ASP A 48 24.133 -7.861 22.766 1.00 0.00 C ATOM 764 O ASP A 48 24.745 -8.408 21.851 1.00 0.00 O ATOM 765 CB ASP A 48 25.599 -6.693 24.440 1.00 0.00 C ATOM 766 CG ASP A 48 26.875 -7.367 23.940 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.593 -6.726 23.141 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.121 -8.517 24.363 1.00 0.00 O ATOM 0 H ASP A 48 23.319 -5.813 24.818 1.00 0.00 H new ATOM 0 HA ASP A 48 25.056 -5.965 22.486 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.843 -5.723 24.873 1.00 0.00 H new ATOM 0 HB3 ASP A 48 25.154 -7.294 25.234 1.00 0.00 H new ATOM 773 N VAL A 49 23.049 -8.407 23.325 1.00 0.00 N ATOM 774 CA VAL A 49 22.500 -9.678 22.868 1.00 0.00 C ATOM 775 C VAL A 49 21.694 -9.471 21.588 1.00 0.00 C ATOM 776 O VAL A 49 21.579 -10.395 20.785 1.00 0.00 O ATOM 777 CB VAL A 49 21.661 -10.292 23.993 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.938 -11.554 23.527 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.567 -10.678 25.163 1.00 0.00 C ATOM 0 H VAL A 49 22.536 -7.983 24.098 1.00 0.00 H new ATOM 0 HA VAL A 49 23.303 -10.375 22.627 1.00 0.00 H new ATOM 0 HB VAL A 49 20.927 -9.545 24.295 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.353 -11.963 24.350 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.275 -11.308 22.697 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.670 -12.293 23.200 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.965 -11.114 25.960 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.306 -11.405 24.827 1.00 0.00 H new ATOM 0 HG23 VAL A 49 23.076 -9.790 25.537 1.00 0.00 H new ATOM 789 N VAL A 50 21.137 -8.274 21.373 1.00 0.00 N ATOM 790 CA VAL A 50 20.453 -7.960 20.130 1.00 0.00 C ATOM 791 C VAL A 50 21.476 -7.813 19.008 1.00 0.00 C ATOM 792 O VAL A 50 21.199 -8.181 17.868 1.00 0.00 O ATOM 793 CB VAL A 50 19.636 -6.672 20.293 1.00 0.00 C ATOM 794 CG1 VAL A 50 19.124 -6.159 18.943 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.426 -6.942 21.181 1.00 0.00 C ATOM 0 H VAL A 50 21.151 -7.511 22.050 1.00 0.00 H new ATOM 0 HA VAL A 50 19.769 -8.769 19.876 1.00 0.00 H new ATOM 0 HB VAL A 50 20.290 -5.922 20.738 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.549 -5.245 19.095 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.970 -5.951 18.288 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.488 -6.916 18.484 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.847 -6.026 21.295 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.803 -7.710 20.723 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.762 -7.283 22.160 1.00 0.00 H new ATOM 805 N GLN A 51 22.660 -7.281 19.319 1.00 0.00 N ATOM 806 CA GLN A 51 23.707 -7.142 18.321 1.00 0.00 C ATOM 807 C GLN A 51 24.300 -8.507 18.002 1.00 0.00 C ATOM 808 O GLN A 51 24.532 -8.812 16.836 1.00 0.00 O ATOM 809 CB GLN A 51 24.769 -6.169 18.834 1.00 0.00 C ATOM 810 CG GLN A 51 25.883 -5.992 17.802 1.00 0.00 C ATOM 811 CD GLN A 51 26.885 -4.922 18.221 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.765 -4.310 19.276 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.895 -4.689 17.387 1.00 0.00 N ATOM 0 H GLN A 51 22.911 -6.944 20.248 1.00 0.00 H new ATOM 0 HA GLN A 51 23.294 -6.737 17.397 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.311 -5.204 19.051 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.188 -6.540 19.769 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.402 -6.940 17.663 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.447 -5.723 16.840 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.969 -5.214 16.516 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.596 -3.985 17.619 1.00 0.00 H new ATOM 822 N GLU A 52 24.552 -9.340 19.017 1.00 0.00 N ATOM 823 CA GLU A 52 25.105 -10.661 18.771 1.00 0.00 C ATOM 824 C GLU A 52 24.081 -11.534 18.046 1.00 0.00 C ATOM 825 O GLU A 52 24.464 -12.458 17.331 1.00 0.00 O ATOM 826 CB GLU A 52 25.534 -11.298 20.094 1.00 0.00 C ATOM 827 CG GLU A 52 26.261 -12.617 19.836 1.00 0.00 C ATOM 828 CD GLU A 52 26.932 -13.138 21.102 1.00 0.00 C ATOM 829 OE1 GLU A 52 27.888 -12.478 21.565 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.487 -14.196 21.602 1.00 0.00 O ATOM 0 H GLU A 52 24.383 -9.121 19.999 1.00 0.00 H new ATOM 0 HA GLU A 52 25.984 -10.572 18.132 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.186 -10.616 20.639 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.660 -11.473 20.721 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.553 -13.358 19.466 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.010 -12.475 19.057 1.00 0.00 H new ATOM 837 N ALA A 53 22.784 -11.251 18.222 1.00 0.00 N ATOM 838 CA ALA A 53 21.742 -11.994 17.537 1.00 0.00 C ATOM 839 C ALA A 53 21.703 -11.623 16.057 1.00 0.00 C ATOM 840 O ALA A 53 21.324 -12.454 15.236 1.00 0.00 O ATOM 841 CB ALA A 53 20.395 -11.715 18.205 1.00 0.00 C ATOM 0 H ALA A 53 22.441 -10.511 18.835 1.00 0.00 H new ATOM 0 HA ALA A 53 21.957 -13.060 17.606 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.612 -12.272 17.691 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.436 -12.025 19.249 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.176 -10.649 18.151 1.00 0.00 H new ATOM 847 N PHE A 54 22.087 -10.393 15.695 1.00 0.00 N ATOM 848 CA PHE A 54 22.121 -9.981 14.300 1.00 0.00 C ATOM 849 C PHE A 54 23.437 -10.383 13.640 1.00 0.00 C ATOM 850 O PHE A 54 23.464 -10.618 12.434 1.00 0.00 O ATOM 851 CB PHE A 54 21.878 -8.474 14.199 1.00 0.00 C ATOM 852 CG PHE A 54 20.477 -8.034 14.577 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.368 -8.838 14.261 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.277 -6.808 15.233 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.077 -8.423 14.599 1.00 0.00 C ATOM 856 CE2 PHE A 54 18.981 -6.388 15.558 1.00 0.00 C ATOM 857 CZ PHE A 54 17.883 -7.197 15.240 1.00 0.00 C ATOM 0 H PHE A 54 22.377 -9.671 16.354 1.00 0.00 H new ATOM 0 HA PHE A 54 21.325 -10.494 13.761 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.592 -7.960 14.842 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.082 -8.154 13.177 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.514 -9.781 13.755 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.124 -6.188 15.487 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.229 -9.050 14.365 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.828 -5.441 16.054 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.884 -6.872 15.491 1.00 0.00 H new ATOM 867 N ILE A 55 24.526 -10.472 14.409 1.00 0.00 N ATOM 868 CA ILE A 55 25.791 -10.950 13.865 1.00 0.00 C ATOM 869 C ILE A 55 25.694 -12.457 13.641 1.00 0.00 C ATOM 870 O ILE A 55 26.213 -12.979 12.655 1.00 0.00 O ATOM 871 CB ILE A 55 26.924 -10.597 14.835 1.00 0.00 C ATOM 872 CG1 ILE A 55 27.075 -9.072 14.938 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.237 -11.214 14.349 1.00 0.00 C ATOM 874 CD1 ILE A 55 28.081 -8.655 16.012 1.00 0.00 C ATOM 0 H ILE A 55 24.554 -10.222 15.397 1.00 0.00 H new ATOM 0 HA ILE A 55 26.005 -10.473 12.909 1.00 0.00 H new ATOM 0 HB ILE A 55 26.682 -10.997 15.819 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.393 -8.675 13.974 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.105 -8.628 15.161 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.038 -10.959 15.043 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.133 -12.298 14.298 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.477 -10.825 13.359 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.150 -7.568 16.043 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.752 -9.026 16.983 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.059 -9.074 15.776 1.00 0.00 H new ATOM 886 N LYS A 56 25.019 -13.158 14.559 1.00 0.00 N ATOM 887 CA LYS A 56 24.827 -14.597 14.467 1.00 0.00 C ATOM 888 C LYS A 56 23.771 -14.932 13.418 1.00 0.00 C ATOM 889 O LYS A 56 23.861 -15.972 12.767 1.00 0.00 O ATOM 890 CB LYS A 56 24.409 -15.099 15.847 1.00 0.00 C ATOM 891 CG LYS A 56 24.231 -16.619 15.873 1.00 0.00 C ATOM 892 CD LYS A 56 23.762 -17.062 17.259 1.00 0.00 C ATOM 893 CE LYS A 56 24.828 -16.765 18.314 1.00 0.00 C ATOM 894 NZ LYS A 56 24.376 -17.193 19.651 1.00 0.00 N ATOM 0 H LYS A 56 24.593 -12.737 15.385 1.00 0.00 H new ATOM 0 HA LYS A 56 25.751 -15.085 14.157 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.160 -14.809 16.581 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.475 -14.619 16.140 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.504 -16.922 15.119 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.172 -17.109 15.624 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.836 -16.547 17.516 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.541 -18.129 17.249 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.754 -17.279 18.056 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.048 -15.698 18.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.115 -16.982 20.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.505 -16.684 19.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.189 -18.216 19.643 1.00 0.00 H new ATOM 908 N ALA A 57 22.774 -14.062 13.244 1.00 0.00 N ATOM 909 CA ALA A 57 21.727 -14.309 12.265 1.00 0.00 C ATOM 910 C ALA A 57 22.299 -14.231 10.856 1.00 0.00 C ATOM 911 O ALA A 57 21.991 -15.086 10.040 1.00 0.00 O ATOM 912 CB ALA A 57 20.598 -13.293 12.434 1.00 0.00 C ATOM 0 H ALA A 57 22.674 -13.191 13.765 1.00 0.00 H new ATOM 0 HA ALA A 57 21.324 -15.309 12.425 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.820 -13.488 11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.178 -13.380 13.436 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.990 -12.286 12.291 1.00 0.00 H new ATOM 918 N TYR A 58 23.128 -13.226 10.557 1.00 0.00 N ATOM 919 CA TYR A 58 23.654 -13.052 9.210 1.00 0.00 C ATOM 920 C TYR A 58 24.478 -14.258 8.768 1.00 0.00 C ATOM 921 O TYR A 58 24.434 -14.654 7.602 1.00 0.00 O ATOM 922 CB TYR A 58 24.523 -11.802 9.188 1.00 0.00 C ATOM 923 CG TYR A 58 25.003 -11.440 7.802 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.128 -10.820 6.900 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.321 -11.722 7.421 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.575 -10.455 5.623 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.774 -11.368 6.143 1.00 0.00 C ATOM 928 CZ TYR A 58 25.903 -10.725 5.242 1.00 0.00 C ATOM 929 OH TYR A 58 26.336 -10.364 4.000 1.00 0.00 O ATOM 0 H TYR A 58 23.445 -12.527 11.229 1.00 0.00 H new ATOM 0 HA TYR A 58 22.818 -12.953 8.518 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.958 -10.966 9.600 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.386 -11.955 9.837 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.106 -10.623 7.190 1.00 0.00 H new ATOM 0 HD2 TYR A 58 26.989 -12.213 8.113 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.902 -9.968 4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.790 -11.588 5.849 1.00 0.00 H new ATOM 0 HH TYR A 58 27.276 -10.620 3.894 1.00 0.00 H new ATOM 939 N ARG A 59 25.228 -14.844 9.704 1.00 0.00 N ATOM 940 CA ARG A 59 26.078 -15.994 9.427 1.00 0.00 C ATOM 941 C ARG A 59 25.244 -17.256 9.225 1.00 0.00 C ATOM 942 O ARG A 59 25.684 -18.181 8.548 1.00 0.00 O ATOM 943 CB ARG A 59 27.037 -16.168 10.603 1.00 0.00 C ATOM 944 CG ARG A 59 27.980 -14.971 10.705 1.00 0.00 C ATOM 945 CD ARG A 59 28.738 -15.057 12.026 1.00 0.00 C ATOM 946 NE ARG A 59 29.768 -14.017 12.117 1.00 0.00 N ATOM 947 CZ ARG A 59 30.552 -13.832 13.182 1.00 0.00 C ATOM 948 NH1 ARG A 59 30.426 -14.604 14.259 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.467 -12.866 13.171 1.00 0.00 N ATOM 0 H ARG A 59 25.260 -14.531 10.674 1.00 0.00 H new ATOM 0 HA ARG A 59 26.637 -15.826 8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.471 -16.273 11.529 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.614 -17.084 10.477 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.678 -14.968 9.868 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.416 -14.040 10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.039 -14.954 12.856 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.201 -16.040 12.119 1.00 0.00 H new ATOM 0 HE ARG A 59 29.893 -13.397 11.317 1.00 0.00 H new ATOM 0 HH11 ARG A 59 29.726 -15.345 14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 59 31.030 -14.454 15.067 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.568 -12.269 12.350 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.067 -12.723 13.983 1.00 0.00 H new ATOM 963 N ALA A 60 24.044 -17.283 9.808 1.00 0.00 N ATOM 964 CA ALA A 60 23.103 -18.380 9.641 1.00 0.00 C ATOM 965 C ALA A 60 22.097 -18.084 8.526 1.00 0.00 C ATOM 966 O ALA A 60 21.357 -18.974 8.106 1.00 0.00 O ATOM 967 CB ALA A 60 22.401 -18.627 10.973 1.00 0.00 C ATOM 0 H ALA A 60 23.700 -16.537 10.412 1.00 0.00 H new ATOM 0 HA ALA A 60 23.642 -19.280 9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.692 -19.447 10.864 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.140 -18.885 11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.869 -17.725 11.277 1.00 0.00 H new ATOM 973 N LEU A 61 22.060 -16.840 8.039 1.00 0.00 N ATOM 974 CA LEU A 61 21.118 -16.412 7.019 1.00 0.00 C ATOM 975 C LEU A 61 21.547 -16.936 5.653 1.00 0.00 C ATOM 976 O LEU A 61 20.718 -17.075 4.755 1.00 0.00 O ATOM 977 CB LEU A 61 21.060 -14.884 7.030 1.00 0.00 C ATOM 978 CG LEU A 61 19.882 -14.340 6.224 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.559 -14.707 6.887 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.986 -12.821 6.184 1.00 0.00 C ATOM 0 H LEU A 61 22.691 -16.101 8.349 1.00 0.00 H new ATOM 0 HA LEU A 61 20.126 -16.813 7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.985 -14.533 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.990 -14.485 6.624 1.00 0.00 H new ATOM 0 HG LEU A 61 19.912 -14.769 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.734 -14.310 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.472 -15.792 6.949 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.525 -14.282 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.152 -12.414 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.955 -12.427 7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.925 -12.533 5.711 1.00 0.00 H new ATOM 992 N ASP A 62 22.839 -17.228 5.496 1.00 0.00 N ATOM 993 CA ASP A 62 23.351 -17.867 4.291 1.00 0.00 C ATOM 994 C ASP A 62 22.825 -19.302 4.178 1.00 0.00 C ATOM 995 O ASP A 62 22.975 -19.941 3.137 1.00 0.00 O ATOM 996 CB ASP A 62 24.876 -17.848 4.343 1.00 0.00 C ATOM 997 CG ASP A 62 25.499 -18.372 3.046 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.238 -17.754 1.990 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.227 -19.387 3.121 1.00 0.00 O ATOM 0 H ASP A 62 23.552 -17.028 6.197 1.00 0.00 H new ATOM 0 HA ASP A 62 23.010 -17.324 3.410 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.220 -16.830 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.218 -18.455 5.181 1.00 0.00 H new ATOM 1004 N SER A 63 22.207 -19.812 5.252 1.00 0.00 N ATOM 1005 CA SER A 63 21.640 -21.149 5.295 1.00 0.00 C ATOM 1006 C SER A 63 20.112 -21.113 5.350 1.00 0.00 C ATOM 1007 O SER A 63 19.476 -22.159 5.451 1.00 0.00 O ATOM 1008 CB SER A 63 22.216 -21.905 6.489 1.00 0.00 C ATOM 1009 OG SER A 63 23.621 -21.983 6.386 1.00 0.00 O ATOM 0 H SER A 63 22.090 -19.293 6.122 1.00 0.00 H new ATOM 0 HA SER A 63 21.909 -21.671 4.377 1.00 0.00 H new ATOM 0 HB2 SER A 63 21.940 -21.401 7.415 1.00 0.00 H new ATOM 0 HB3 SER A 63 21.791 -22.908 6.533 1.00 0.00 H new ATOM 0 HG SER A 63 23.979 -22.469 7.158 1.00 0.00 H new ATOM 1015 N PHE A 64 19.514 -19.917 5.286 1.00 0.00 N ATOM 1016 CA PHE A 64 18.068 -19.774 5.255 1.00 0.00 C ATOM 1017 C PHE A 64 17.544 -20.171 3.877 1.00 0.00 C ATOM 1018 O PHE A 64 18.176 -19.864 2.863 1.00 0.00 O ATOM 1019 CB PHE A 64 17.693 -18.333 5.600 1.00 0.00 C ATOM 1020 CG PHE A 64 16.200 -18.091 5.635 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.442 -18.546 6.719 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.575 -17.411 4.580 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.059 -18.315 6.751 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.193 -17.181 4.613 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.434 -17.632 5.699 1.00 0.00 C ATOM 0 H PHE A 64 20.021 -19.033 5.255 1.00 0.00 H new ATOM 0 HA PHE A 64 17.610 -20.432 5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.118 -18.078 6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.145 -17.663 4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.921 -19.074 7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.159 -17.064 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.474 -18.665 7.589 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.714 -16.656 3.800 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.369 -17.454 5.726 1.00 0.00 H new ATOM 1099 N PHE A 70 10.450 -15.556 8.075 1.00 0.00 N ATOM 1100 CA PHE A 70 11.698 -14.949 8.505 1.00 0.00 C ATOM 1101 C PHE A 70 11.596 -14.401 9.923 1.00 0.00 C ATOM 1102 O PHE A 70 12.577 -14.429 10.663 1.00 0.00 O ATOM 1103 CB PHE A 70 12.088 -13.828 7.547 1.00 0.00 C ATOM 1104 CG PHE A 70 13.323 -13.086 8.007 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.573 -13.723 7.970 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.223 -11.772 8.484 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.716 -13.050 8.423 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.370 -11.098 8.930 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.618 -11.737 8.901 1.00 0.00 C ATOM 0 HA PHE A 70 12.465 -15.723 8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.265 -14.245 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.259 -13.127 7.454 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.654 -14.732 7.593 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.263 -11.278 8.508 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.675 -13.545 8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.292 -10.085 9.296 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.500 -11.219 9.246 1.00 0.00 H new ATOM 1119 N TYR A 71 10.425 -13.898 10.325 1.00 0.00 N ATOM 1120 CA TYR A 71 10.296 -13.335 11.656 1.00 0.00 C ATOM 1121 C TYR A 71 10.378 -14.433 12.712 1.00 0.00 C ATOM 1122 O TYR A 71 10.968 -14.222 13.769 1.00 0.00 O ATOM 1123 CB TYR A 71 9.000 -12.528 11.774 1.00 0.00 C ATOM 1124 CG TYR A 71 7.723 -13.316 11.591 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.190 -14.040 12.667 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.074 -13.317 10.348 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.005 -14.769 12.504 1.00 0.00 C ATOM 1128 CE2 TYR A 71 5.883 -14.041 10.179 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.344 -14.770 11.259 1.00 0.00 C ATOM 1130 OH TYR A 71 4.188 -15.476 11.100 1.00 0.00 O ATOM 0 H TYR A 71 9.577 -13.872 9.758 1.00 0.00 H new ATOM 0 HA TYR A 71 11.126 -12.650 11.831 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.976 -12.054 12.755 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.022 -11.728 11.034 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.694 -14.036 13.622 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.490 -12.761 9.521 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.598 -15.330 13.332 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.380 -14.040 9.223 1.00 0.00 H new ATOM 0 HH TYR A 71 3.863 -15.369 10.182 1.00 0.00 H new ATOM 1140 N THR A 72 9.797 -15.608 12.444 1.00 0.00 N ATOM 1141 CA THR A 72 9.861 -16.711 13.390 1.00 0.00 C ATOM 1142 C THR A 72 11.285 -17.239 13.453 1.00 0.00 C ATOM 1143 O THR A 72 11.769 -17.605 14.519 1.00 0.00 O ATOM 1144 CB THR A 72 8.908 -17.828 12.962 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.593 -17.322 12.861 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.915 -18.959 13.992 1.00 0.00 C ATOM 0 H THR A 72 9.284 -15.812 11.587 1.00 0.00 H new ATOM 0 HA THR A 72 9.562 -16.357 14.376 1.00 0.00 H new ATOM 0 HB THR A 72 9.240 -18.210 11.997 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.620 -16.343 12.842 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.232 -19.746 13.673 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.922 -19.366 14.079 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.596 -18.572 14.960 1.00 0.00 H new ATOM 1154 N TRP A 73 11.963 -17.279 12.302 1.00 0.00 N ATOM 1155 CA TRP A 73 13.323 -17.777 12.223 1.00 0.00 C ATOM 1156 C TRP A 73 14.296 -16.828 12.926 1.00 0.00 C ATOM 1157 O TRP A 73 15.306 -17.275 13.470 1.00 0.00 O ATOM 1158 CB TRP A 73 13.683 -17.940 10.747 1.00 0.00 C ATOM 1159 CG TRP A 73 15.090 -18.363 10.481 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.508 -19.634 10.289 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.285 -17.526 10.379 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.872 -19.645 10.084 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.405 -18.374 10.142 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.534 -16.142 10.464 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.705 -17.879 10.023 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.835 -15.636 10.337 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.919 -16.500 10.125 1.00 0.00 C ATOM 0 H TRP A 73 11.580 -16.967 11.409 1.00 0.00 H new ATOM 0 HA TRP A 73 13.397 -18.739 12.730 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.010 -18.674 10.304 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.502 -16.993 10.238 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.872 -20.507 10.295 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.419 -20.488 9.911 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.712 -15.462 10.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.534 -18.551 9.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.004 -14.571 10.403 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.919 -16.101 10.040 1.00 0.00 H new ATOM 1178 N LEU A 74 14.002 -15.525 12.923 1.00 0.00 N ATOM 1179 CA LEU A 74 14.873 -14.524 13.520 1.00 0.00 C ATOM 1180 C LEU A 74 14.640 -14.412 15.024 1.00 0.00 C ATOM 1181 O LEU A 74 15.588 -14.182 15.775 1.00 0.00 O ATOM 1182 CB LEU A 74 14.614 -13.188 12.820 1.00 0.00 C ATOM 1183 CG LEU A 74 15.520 -12.062 13.336 1.00 0.00 C ATOM 1184 CD1 LEU A 74 16.997 -12.381 13.094 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.168 -10.773 12.597 1.00 0.00 C ATOM 0 H LEU A 74 13.154 -15.141 12.506 1.00 0.00 H new ATOM 0 HA LEU A 74 15.915 -14.816 13.387 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.767 -13.309 11.748 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.571 -12.904 12.963 1.00 0.00 H new ATOM 0 HG LEU A 74 15.362 -11.954 14.409 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.612 -11.564 13.471 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.260 -13.303 13.613 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.172 -12.504 12.025 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.805 -9.963 12.954 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.324 -10.913 11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.124 -10.521 12.781 1.00 0.00 H new ATOM 1197 N TYR A 75 13.394 -14.575 15.480 1.00 0.00 N ATOM 1198 CA TYR A 75 13.101 -14.523 16.909 1.00 0.00 C ATOM 1199 C TYR A 75 13.821 -15.657 17.637 1.00 0.00 C ATOM 1200 O TYR A 75 14.126 -15.533 18.822 1.00 0.00 O ATOM 1201 CB TYR A 75 11.591 -14.642 17.138 1.00 0.00 C ATOM 1202 CG TYR A 75 10.721 -13.531 16.583 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.276 -12.331 16.105 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.330 -13.716 16.550 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.441 -11.321 15.601 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.492 -12.711 16.047 1.00 0.00 C ATOM 1207 CZ TYR A 75 9.046 -11.506 15.571 1.00 0.00 C ATOM 1208 OH TYR A 75 8.240 -10.524 15.081 1.00 0.00 O ATOM 0 H TYR A 75 12.583 -14.742 14.885 1.00 0.00 H new ATOM 0 HA TYR A 75 13.451 -13.569 17.303 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.256 -15.584 16.704 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.415 -14.706 18.212 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.346 -12.186 16.126 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.903 -14.638 16.914 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.870 -10.400 15.235 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.423 -12.860 16.024 1.00 0.00 H new ATOM 0 HH TYR A 75 7.305 -10.813 15.131 1.00 0.00 H new ATOM 1218 N ARG A 76 14.096 -16.759 16.934 1.00 0.00 N ATOM 1219 CA ARG A 76 14.785 -17.909 17.506 1.00 0.00 C ATOM 1220 C ARG A 76 16.268 -17.623 17.706 1.00 0.00 C ATOM 1221 O ARG A 76 16.891 -18.216 18.581 1.00 0.00 O ATOM 1222 CB ARG A 76 14.599 -19.116 16.585 1.00 0.00 C ATOM 1223 CG ARG A 76 13.150 -19.587 16.641 1.00 0.00 C ATOM 1224 CD ARG A 76 12.925 -20.724 15.645 1.00 0.00 C ATOM 1225 NE ARG A 76 11.541 -21.205 15.695 1.00 0.00 N ATOM 1226 CZ ARG A 76 11.043 -22.141 14.883 1.00 0.00 C ATOM 1227 NH1 ARG A 76 11.800 -22.704 13.942 1.00 0.00 N ATOM 1228 NH2 ARG A 76 9.776 -22.522 15.007 1.00 0.00 N ATOM 0 H ARG A 76 13.845 -16.875 15.952 1.00 0.00 H new ATOM 0 HA ARG A 76 14.355 -18.122 18.485 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.866 -18.850 15.562 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.266 -19.923 16.888 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.908 -19.924 17.649 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.481 -18.757 16.413 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.157 -20.380 14.637 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.607 -21.545 15.866 1.00 0.00 H new ATOM 0 HE ARG A 76 10.919 -20.799 16.394 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.774 -22.421 13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.405 -23.418 13.329 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.184 -22.100 15.722 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.395 -23.237 14.387 1.00 0.00 H new ATOM 1242 N ILE A 77 16.841 -16.722 16.904 1.00 0.00 N ATOM 1243 CA ILE A 77 18.254 -16.393 17.046 1.00 0.00 C ATOM 1244 C ILE A 77 18.468 -15.574 18.315 1.00 0.00 C ATOM 1245 O ILE A 77 19.486 -15.733 18.988 1.00 0.00 O ATOM 1246 CB ILE A 77 18.760 -15.618 15.820 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.396 -16.276 14.482 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.279 -15.475 15.917 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.863 -17.728 14.363 1.00 0.00 C ATOM 0 H ILE A 77 16.355 -16.217 16.163 1.00 0.00 H new ATOM 0 HA ILE A 77 18.822 -17.320 17.118 1.00 0.00 H new ATOM 0 HB ILE A 77 18.266 -14.646 15.832 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.314 -16.240 14.352 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.834 -15.695 13.671 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.649 -14.926 15.051 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.536 -14.933 16.827 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.737 -16.464 15.942 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.570 -18.126 13.391 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.948 -17.770 14.460 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.404 -18.324 15.152 1.00 0.00 H new ATOM 1261 N ALA A 78 17.517 -14.697 18.651 1.00 0.00 N ATOM 1262 CA ALA A 78 17.676 -13.796 19.781 1.00 0.00 C ATOM 1263 C ALA A 78 17.456 -14.495 21.123 1.00 0.00 C ATOM 1264 O ALA A 78 18.140 -14.173 22.092 1.00 0.00 O ATOM 1265 CB ALA A 78 16.713 -12.620 19.606 1.00 0.00 C ATOM 0 H ALA A 78 16.632 -14.597 18.153 1.00 0.00 H new ATOM 0 HA ALA A 78 18.705 -13.437 19.797 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.820 -11.934 20.446 1.00 0.00 H new ATOM 0 HB2 ALA A 78 16.943 -12.096 18.678 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.689 -12.991 19.568 1.00 0.00 H new ATOM 1271 N VAL A 79 16.518 -15.444 21.201 1.00 0.00 N ATOM 1272 CA VAL A 79 16.253 -16.128 22.465 1.00 0.00 C ATOM 1273 C VAL A 79 17.301 -17.205 22.743 1.00 0.00 C ATOM 1274 O VAL A 79 17.584 -17.498 23.904 1.00 0.00 O ATOM 1275 CB VAL A 79 14.830 -16.690 22.473 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.625 -17.733 21.376 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.517 -17.344 23.816 1.00 0.00 C ATOM 0 H VAL A 79 15.940 -15.750 20.418 1.00 0.00 H new ATOM 0 HA VAL A 79 16.328 -15.405 23.277 1.00 0.00 H new ATOM 0 HB VAL A 79 14.161 -15.848 22.296 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.602 -18.107 21.416 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.807 -17.278 20.403 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.320 -18.560 21.526 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.501 -17.737 23.801 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.219 -18.158 23.996 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.608 -16.604 24.611 1.00 0.00 H new ATOM 1287 N ASN A 80 17.889 -17.796 21.700 1.00 0.00 N ATOM 1288 CA ASN A 80 18.928 -18.798 21.884 1.00 0.00 C ATOM 1289 C ASN A 80 20.252 -18.131 22.252 1.00 0.00 C ATOM 1290 O ASN A 80 21.103 -18.755 22.884 1.00 0.00 O ATOM 1291 CB ASN A 80 19.072 -19.634 20.610 1.00 0.00 C ATOM 1292 CG ASN A 80 17.865 -20.528 20.361 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.950 -20.610 21.178 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.853 -21.210 19.220 1.00 0.00 N ATOM 0 H ASN A 80 17.661 -17.596 20.726 1.00 0.00 H new ATOM 0 HA ASN A 80 18.646 -19.459 22.704 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.211 -18.970 19.757 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.968 -20.250 20.683 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.068 -21.824 19.001 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.628 -21.119 18.563 1.00 0.00 H new ATOM 1301 N THR A 81 20.434 -16.864 21.860 1.00 0.00 N ATOM 1302 CA THR A 81 21.645 -16.125 22.192 1.00 0.00 C ATOM 1303 C THR A 81 21.570 -15.584 23.616 1.00 0.00 C ATOM 1304 O THR A 81 22.602 -15.412 24.259 1.00 0.00 O ATOM 1305 CB THR A 81 21.865 -15.006 21.168 1.00 0.00 C ATOM 1306 OG1 THR A 81 21.990 -15.582 19.887 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.152 -14.236 21.451 1.00 0.00 C ATOM 0 H THR A 81 19.755 -16.335 21.313 1.00 0.00 H new ATOM 0 HA THR A 81 22.502 -16.797 22.148 1.00 0.00 H new ATOM 0 HB THR A 81 21.017 -14.324 21.227 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.172 -15.417 19.373 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.277 -13.450 20.706 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.098 -13.790 22.444 1.00 0.00 H new ATOM 0 HG23 THR A 81 24.001 -14.918 21.405 1.00 0.00 H new ATOM 1315 N ALA A 82 20.364 -15.318 24.125 1.00 0.00 N ATOM 1316 CA ALA A 82 20.198 -14.797 25.472 1.00 0.00 C ATOM 1317 C ALA A 82 20.370 -15.896 26.513 1.00 0.00 C ATOM 1318 O ALA A 82 20.859 -15.640 27.610 1.00 0.00 O ATOM 1319 CB ALA A 82 18.814 -14.163 25.585 1.00 0.00 C ATOM 0 H ALA A 82 19.490 -15.457 23.618 1.00 0.00 H new ATOM 0 HA ALA A 82 20.965 -14.047 25.663 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.676 -13.768 26.591 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.725 -13.353 24.861 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.052 -14.915 25.383 1.00 0.00 H new ATOM 1325 N LYS A 83 19.975 -17.130 26.179 1.00 0.00 N ATOM 1326 CA LYS A 83 20.155 -18.256 27.084 1.00 0.00 C ATOM 1327 C LYS A 83 21.610 -18.715 27.051 1.00 0.00 C ATOM 1328 O LYS A 83 22.100 -19.280 28.027 1.00 0.00 O ATOM 1329 CB LYS A 83 19.191 -19.375 26.693 1.00 0.00 C ATOM 1330 CG LYS A 83 17.752 -18.949 26.995 1.00 0.00 C ATOM 1331 CD LYS A 83 16.769 -20.023 26.525 1.00 0.00 C ATOM 1332 CE LYS A 83 15.335 -19.619 26.863 1.00 0.00 C ATOM 1333 NZ LYS A 83 15.107 -19.605 28.319 1.00 0.00 N ATOM 0 H LYS A 83 19.531 -17.367 25.292 1.00 0.00 H new ATOM 0 HA LYS A 83 19.928 -17.960 28.108 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.297 -19.605 25.633 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.433 -20.285 27.242 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.633 -18.781 28.065 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.534 -18.004 26.498 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.868 -20.170 25.449 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.007 -20.975 27.000 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.128 -18.631 26.452 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.639 -20.313 26.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.085 -19.580 28.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.517 -20.461 28.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.557 -18.764 28.733 1.00 0.00 H new ATOM 1347 N ASN A 84 22.303 -18.469 25.935 1.00 0.00 N ATOM 1348 CA ASN A 84 23.724 -18.752 25.821 1.00 0.00 C ATOM 1349 C ASN A 84 24.542 -17.660 26.519 1.00 0.00 C ATOM 1350 O ASN A 84 25.682 -17.893 26.917 1.00 0.00 O ATOM 1351 CB ASN A 84 24.087 -18.858 24.341 1.00 0.00 C ATOM 1352 CG ASN A 84 25.561 -19.193 24.141 1.00 0.00 C ATOM 1353 OD1 ASN A 84 25.962 -20.348 24.253 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.375 -18.185 23.840 1.00 0.00 N ATOM 0 H ASN A 84 21.890 -18.070 25.092 1.00 0.00 H new ATOM 0 HA ASN A 84 23.957 -19.697 26.312 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.473 -19.626 23.870 1.00 0.00 H new ATOM 0 HB3 ASN A 84 23.858 -17.916 23.842 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.369 -18.359 23.694 1.00 0.00 H new ATOM 0 HD22 ASN A 84 26.005 -17.238 23.755 1.00 0.00 H new