USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 LYS NZ :NH3+ -178:sc= 1.02 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 93:sc= 2.16 USER MOD Single : A 6 THR OG1 : rot 24:sc= 0.245 USER MOD Single : A 8 GLN : amide:sc= 0.407 X(o=0.41,f=-0.056) USER MOD Single : A 15 GLN : amide:sc= 0.579 K(o=0.58,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.3 K(o=-1.3,f=-3.2!) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0977) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0608 X(o=-0.061,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -32:sc= 0.262 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=-0.81) 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 8:sc= 0.772 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc=-0.00362 K(o=-0.0036,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.156 -5.999 1.585 1.00 0.00 N ATOM 83 CA THR A 6 9.837 -6.746 2.790 1.00 0.00 C ATOM 84 C THR A 6 10.920 -7.793 3.036 1.00 0.00 C ATOM 85 O THR A 6 11.813 -7.968 2.211 1.00 0.00 O ATOM 86 CB THR A 6 8.449 -7.376 2.621 1.00 0.00 C ATOM 87 OG1 THR A 6 7.516 -6.382 2.253 1.00 0.00 O ATOM 88 CG2 THR A 6 7.946 -8.025 3.908 1.00 0.00 C ATOM 0 HA THR A 6 9.810 -6.093 3.662 1.00 0.00 H new ATOM 0 HB THR A 6 8.544 -8.142 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.985 -5.634 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.960 -8.457 3.737 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.637 -8.810 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.881 -7.272 4.694 1.00 0.00 H new ATOM 96 N ASP A 7 10.857 -8.498 4.170 1.00 0.00 N ATOM 97 CA ASP A 7 11.852 -9.498 4.543 1.00 0.00 C ATOM 98 C ASP A 7 12.037 -10.563 3.462 1.00 0.00 C ATOM 99 O ASP A 7 13.052 -11.254 3.449 1.00 0.00 O ATOM 100 CB ASP A 7 11.438 -10.146 5.866 1.00 0.00 C ATOM 101 CG ASP A 7 10.122 -10.910 5.741 1.00 0.00 C ATOM 102 OD1 ASP A 7 10.162 -12.069 5.275 1.00 0.00 O ATOM 103 OD2 ASP A 7 9.081 -10.327 6.113 1.00 0.00 O ATOM 0 H ASP A 7 10.110 -8.388 4.855 1.00 0.00 H new ATOM 0 HA ASP A 7 12.813 -8.996 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.222 -10.827 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.339 -9.376 6.631 1.00 0.00 H new ATOM 108 N GLN A 8 11.072 -10.699 2.553 1.00 0.00 N ATOM 109 CA GLN A 8 11.172 -11.655 1.462 1.00 0.00 C ATOM 110 C GLN A 8 12.308 -11.264 0.518 1.00 0.00 C ATOM 111 O GLN A 8 13.174 -12.081 0.214 1.00 0.00 O ATOM 112 CB GLN A 8 9.838 -11.684 0.707 1.00 0.00 C ATOM 113 CG GLN A 8 9.889 -12.590 -0.524 1.00 0.00 C ATOM 114 CD GLN A 8 10.194 -14.039 -0.154 1.00 0.00 C ATOM 115 OE1 GLN A 8 9.289 -14.839 0.068 1.00 0.00 O ATOM 116 NE2 GLN A 8 11.478 -14.389 -0.079 1.00 0.00 N ATOM 0 H GLN A 8 10.210 -10.154 2.555 1.00 0.00 H new ATOM 0 HA GLN A 8 11.388 -12.646 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.051 -12.029 1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.574 -10.672 0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.935 -12.543 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.650 -12.224 -1.213 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.206 -13.701 -0.269 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.732 -15.345 0.169 1.00 0.00 H new ATOM 125 N VAL A 9 12.302 -10.014 0.054 1.00 0.00 N ATOM 126 CA VAL A 9 13.282 -9.524 -0.906 1.00 0.00 C ATOM 127 C VAL A 9 14.543 -9.036 -0.197 1.00 0.00 C ATOM 128 O VAL A 9 15.620 -9.035 -0.791 1.00 0.00 O ATOM 129 CB VAL A 9 12.637 -8.429 -1.769 1.00 0.00 C ATOM 130 CG1 VAL A 9 11.958 -7.363 -0.908 1.00 0.00 C ATOM 131 CG2 VAL A 9 13.662 -7.753 -2.676 1.00 0.00 C ATOM 0 H VAL A 9 11.615 -9.315 0.336 1.00 0.00 H new ATOM 0 HA VAL A 9 13.593 -10.337 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 9 11.886 -8.924 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.513 -6.605 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.180 -7.827 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.697 -6.897 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.170 -6.984 -3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.442 -7.296 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.107 -8.495 -3.338 1.00 0.00 H new ATOM 141 N LEU A 10 14.428 -8.622 1.067 1.00 0.00 N ATOM 142 CA LEU A 10 15.580 -8.181 1.831 1.00 0.00 C ATOM 143 C LEU A 10 16.473 -9.364 2.196 1.00 0.00 C ATOM 144 O LEU A 10 17.678 -9.185 2.347 1.00 0.00 O ATOM 145 CB LEU A 10 15.108 -7.444 3.090 1.00 0.00 C ATOM 146 CG LEU A 10 15.046 -5.928 2.869 1.00 0.00 C ATOM 147 CD1 LEU A 10 14.166 -5.537 1.687 1.00 0.00 C ATOM 148 CD2 LEU A 10 14.489 -5.254 4.125 1.00 0.00 C ATOM 0 H LEU A 10 13.545 -8.586 1.577 1.00 0.00 H new ATOM 0 HA LEU A 10 16.171 -7.497 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.123 -7.810 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 10 15.784 -7.664 3.916 1.00 0.00 H new ATOM 0 HG LEU A 10 16.063 -5.599 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.161 -4.452 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 10 14.558 -5.990 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.149 -5.889 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 10 14.444 -4.176 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.488 -5.633 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.138 -5.472 4.973 1.00 0.00 H new ATOM 160 N VAL A 11 15.909 -10.570 2.333 1.00 0.00 N ATOM 161 CA VAL A 11 16.725 -11.746 2.614 1.00 0.00 C ATOM 162 C VAL A 11 17.335 -12.281 1.321 1.00 0.00 C ATOM 163 O VAL A 11 18.412 -12.870 1.347 1.00 0.00 O ATOM 164 CB VAL A 11 15.908 -12.811 3.353 1.00 0.00 C ATOM 165 CG1 VAL A 11 16.691 -14.120 3.461 1.00 0.00 C ATOM 166 CG2 VAL A 11 15.625 -12.324 4.776 1.00 0.00 C ATOM 0 H VAL A 11 14.908 -10.751 2.255 1.00 0.00 H new ATOM 0 HA VAL A 11 17.545 -11.463 3.274 1.00 0.00 H new ATOM 0 HB VAL A 11 14.985 -12.980 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.091 -14.861 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.924 -14.488 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 11 17.617 -13.946 4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.044 -13.076 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 11 16.567 -12.157 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.062 -11.392 4.736 1.00 0.00 H new ATOM 176 N GLU A 12 16.670 -12.085 0.181 1.00 0.00 N ATOM 177 CA GLU A 12 17.242 -12.489 -1.093 1.00 0.00 C ATOM 178 C GLU A 12 18.408 -11.575 -1.461 1.00 0.00 C ATOM 179 O GLU A 12 19.405 -12.028 -2.019 1.00 0.00 O ATOM 180 CB GLU A 12 16.176 -12.416 -2.187 1.00 0.00 C ATOM 181 CG GLU A 12 15.156 -13.541 -2.047 1.00 0.00 C ATOM 182 CD GLU A 12 14.122 -13.482 -3.168 1.00 0.00 C ATOM 183 OE1 GLU A 12 14.525 -13.693 -4.332 1.00 0.00 O ATOM 184 OE2 GLU A 12 12.935 -13.229 -2.856 1.00 0.00 O ATOM 0 H GLU A 12 15.747 -11.654 0.119 1.00 0.00 H new ATOM 0 HA GLU A 12 17.604 -13.513 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.667 -11.453 -2.137 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.652 -12.475 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.666 -14.504 -2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.656 -13.466 -1.081 1.00 0.00 H new ATOM 191 N ARG A 13 18.290 -10.282 -1.150 1.00 0.00 N ATOM 192 CA ARG A 13 19.287 -9.293 -1.529 1.00 0.00 C ATOM 193 C ARG A 13 20.583 -9.478 -0.749 1.00 0.00 C ATOM 194 O ARG A 13 21.665 -9.305 -1.309 1.00 0.00 O ATOM 195 CB ARG A 13 18.667 -7.908 -1.336 1.00 0.00 C ATOM 196 CG ARG A 13 19.615 -6.793 -1.773 1.00 0.00 C ATOM 197 CD ARG A 13 18.862 -5.465 -1.849 1.00 0.00 C ATOM 198 NE ARG A 13 17.861 -5.471 -2.921 1.00 0.00 N ATOM 199 CZ ARG A 13 16.958 -4.505 -3.106 1.00 0.00 C ATOM 200 NH1 ARG A 13 16.914 -3.448 -2.300 1.00 0.00 N ATOM 201 NH2 ARG A 13 16.085 -4.595 -4.105 1.00 0.00 N ATOM 0 H ARG A 13 17.501 -9.898 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 13 19.567 -9.414 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.741 -7.842 -1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.405 -7.771 -0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.442 -6.711 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.047 -7.032 -2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.373 -5.269 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.570 -4.654 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 13 17.854 -6.262 -3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.576 -3.367 -1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.218 -2.718 -2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.106 -5.401 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.395 -3.858 -4.247 1.00 0.00 H new ATOM 215 N VAL A 14 20.502 -9.834 0.538 1.00 0.00 N ATOM 216 CA VAL A 14 21.697 -10.066 1.347 1.00 0.00 C ATOM 217 C VAL A 14 22.371 -11.380 0.959 1.00 0.00 C ATOM 218 O VAL A 14 23.570 -11.545 1.174 1.00 0.00 O ATOM 219 CB VAL A 14 21.352 -10.051 2.837 1.00 0.00 C ATOM 220 CG1 VAL A 14 20.763 -8.698 3.219 1.00 0.00 C ATOM 221 CG2 VAL A 14 20.349 -11.136 3.210 1.00 0.00 C ATOM 0 H VAL A 14 19.623 -9.967 1.038 1.00 0.00 H new ATOM 0 HA VAL A 14 22.401 -9.257 1.152 1.00 0.00 H new ATOM 0 HB VAL A 14 22.279 -10.239 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.519 -8.694 4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.490 -7.913 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.858 -8.518 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.137 -11.084 4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.426 -10.987 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 14 20.765 -12.114 2.970 1.00 0.00 H new ATOM 231 N GLN A 15 21.614 -12.320 0.381 1.00 0.00 N ATOM 232 CA GLN A 15 22.174 -13.571 -0.116 1.00 0.00 C ATOM 233 C GLN A 15 22.815 -13.360 -1.490 1.00 0.00 C ATOM 234 O GLN A 15 23.572 -14.212 -1.956 1.00 0.00 O ATOM 235 CB GLN A 15 21.072 -14.629 -0.181 1.00 0.00 C ATOM 236 CG GLN A 15 20.640 -15.044 1.230 1.00 0.00 C ATOM 237 CD GLN A 15 19.489 -16.051 1.203 1.00 0.00 C ATOM 238 OE1 GLN A 15 18.890 -16.298 0.158 1.00 0.00 O ATOM 239 NE2 GLN A 15 19.164 -16.643 2.348 1.00 0.00 N ATOM 0 H GLN A 15 20.607 -12.232 0.248 1.00 0.00 H new ATOM 0 HA GLN A 15 22.953 -13.916 0.564 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.215 -14.237 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.429 -15.501 -0.729 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.490 -15.479 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.336 -14.160 1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.677 -16.420 3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.402 -17.320 2.374 1.00 0.00 H new ATOM 248 N LYS A 16 22.515 -12.226 -2.135 1.00 0.00 N ATOM 249 CA LYS A 16 23.088 -11.854 -3.424 1.00 0.00 C ATOM 250 C LYS A 16 24.334 -10.985 -3.259 1.00 0.00 C ATOM 251 O LYS A 16 24.906 -10.530 -4.249 1.00 0.00 O ATOM 252 CB LYS A 16 22.003 -11.198 -4.275 1.00 0.00 C ATOM 253 CG LYS A 16 20.997 -12.269 -4.704 1.00 0.00 C ATOM 254 CD LYS A 16 19.760 -11.623 -5.320 1.00 0.00 C ATOM 255 CE LYS A 16 18.725 -12.717 -5.586 1.00 0.00 C ATOM 256 NZ LYS A 16 17.493 -12.159 -6.177 1.00 0.00 N ATOM 0 H LYS A 16 21.859 -11.536 -1.768 1.00 0.00 H new ATOM 0 HA LYS A 16 23.434 -12.747 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.501 -10.414 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.446 -10.724 -5.151 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.460 -12.943 -5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.709 -12.872 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.351 -10.870 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.020 -11.114 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.147 -13.464 -6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.484 -13.227 -4.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.811 -12.926 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.078 -11.464 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.721 -11.694 -7.079 1.00 0.00 H new ATOM 270 N GLY A 17 24.764 -10.753 -2.016 1.00 0.00 N ATOM 271 CA GLY A 17 26.023 -10.087 -1.716 1.00 0.00 C ATOM 272 C GLY A 17 25.845 -8.635 -1.277 1.00 0.00 C ATOM 273 O GLY A 17 26.835 -7.946 -1.041 1.00 0.00 O ATOM 0 H GLY A 17 24.239 -11.027 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.539 -10.637 -0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.662 -10.117 -2.598 1.00 0.00 H new ATOM 277 N ASP A 18 24.601 -8.162 -1.161 1.00 0.00 N ATOM 278 CA ASP A 18 24.316 -6.800 -0.744 1.00 0.00 C ATOM 279 C ASP A 18 24.034 -6.759 0.756 1.00 0.00 C ATOM 280 O ASP A 18 22.879 -6.789 1.182 1.00 0.00 O ATOM 281 CB ASP A 18 23.143 -6.276 -1.571 1.00 0.00 C ATOM 282 CG ASP A 18 23.595 -5.848 -2.965 1.00 0.00 C ATOM 283 OD1 ASP A 18 24.361 -4.860 -3.044 1.00 0.00 O ATOM 284 OD2 ASP A 18 23.175 -6.506 -3.945 1.00 0.00 O ATOM 0 H ASP A 18 23.768 -8.718 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 18 25.176 -6.154 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.380 -7.050 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.684 -5.430 -1.060 1.00 0.00 H new ATOM 289 N GLN A 19 25.099 -6.689 1.564 1.00 0.00 N ATOM 290 CA GLN A 19 25.000 -6.670 3.015 1.00 0.00 C ATOM 291 C GLN A 19 24.305 -5.395 3.500 1.00 0.00 C ATOM 292 O GLN A 19 23.790 -5.352 4.617 1.00 0.00 O ATOM 293 CB GLN A 19 26.412 -6.820 3.586 1.00 0.00 C ATOM 294 CG GLN A 19 26.423 -6.960 5.115 1.00 0.00 C ATOM 295 CD GLN A 19 26.375 -5.625 5.849 1.00 0.00 C ATOM 296 OE1 GLN A 19 26.568 -4.560 5.262 1.00 0.00 O ATOM 297 NE2 GLN A 19 26.119 -5.673 7.153 1.00 0.00 N ATOM 0 H GLN A 19 26.058 -6.644 1.219 1.00 0.00 H new ATOM 0 HA GLN A 19 24.385 -7.498 3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 19 26.888 -7.695 3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 19 27.008 -5.953 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 19 25.570 -7.565 5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.321 -7.499 5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 19 25.964 -6.572 7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 19 26.078 -4.811 7.697 1.00 0.00 H new ATOM 306 N LYS A 20 24.278 -4.352 2.664 1.00 0.00 N ATOM 307 CA LYS A 20 23.611 -3.097 2.986 1.00 0.00 C ATOM 308 C LYS A 20 22.116 -3.318 3.215 1.00 0.00 C ATOM 309 O LYS A 20 21.477 -2.521 3.901 1.00 0.00 O ATOM 310 CB LYS A 20 23.851 -2.116 1.835 1.00 0.00 C ATOM 311 CG LYS A 20 23.153 -2.591 0.556 1.00 0.00 C ATOM 312 CD LYS A 20 23.590 -1.743 -0.638 1.00 0.00 C ATOM 313 CE LYS A 20 22.858 -2.201 -1.903 1.00 0.00 C ATOM 314 NZ LYS A 20 21.430 -1.830 -1.867 1.00 0.00 N ATOM 0 H LYS A 20 24.720 -4.359 1.745 1.00 0.00 H new ATOM 0 HA LYS A 20 24.019 -2.687 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.481 -1.128 2.111 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.921 -2.016 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.391 -3.639 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.072 -2.527 0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 20 23.377 -0.692 -0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.667 -1.829 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.329 -1.754 -2.779 1.00 0.00 H new ATOM 0 HE3 LYS A 20 22.951 -3.282 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.011 -1.968 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.933 -2.428 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 21.338 -0.832 -1.591 1.00 0.00 H new ATOM 328 N ALA A 21 21.558 -4.390 2.648 1.00 0.00 N ATOM 329 CA ALA A 21 20.150 -4.699 2.830 1.00 0.00 C ATOM 330 C ALA A 21 19.919 -5.420 4.157 1.00 0.00 C ATOM 331 O ALA A 21 18.791 -5.445 4.646 1.00 0.00 O ATOM 332 CB ALA A 21 19.656 -5.528 1.647 1.00 0.00 C ATOM 0 H ALA A 21 22.064 -5.054 2.061 1.00 0.00 H new ATOM 0 HA ALA A 21 19.579 -3.772 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.600 -5.761 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.788 -4.961 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 21 20.227 -6.455 1.588 1.00 0.00 H new ATOM 338 N PHE A 22 20.966 -6.003 4.750 1.00 0.00 N ATOM 339 CA PHE A 22 20.834 -6.649 6.043 1.00 0.00 C ATOM 340 C PHE A 22 20.777 -5.583 7.127 1.00 0.00 C ATOM 341 O PHE A 22 20.047 -5.722 8.102 1.00 0.00 O ATOM 342 CB PHE A 22 22.002 -7.603 6.291 1.00 0.00 C ATOM 343 CG PHE A 22 21.836 -8.353 7.590 1.00 0.00 C ATOM 344 CD1 PHE A 22 20.824 -9.318 7.714 1.00 0.00 C ATOM 345 CD2 PHE A 22 22.677 -8.079 8.678 1.00 0.00 C ATOM 346 CE1 PHE A 22 20.650 -10.002 8.923 1.00 0.00 C ATOM 347 CE2 PHE A 22 22.496 -8.759 9.892 1.00 0.00 C ATOM 348 CZ PHE A 22 21.482 -9.721 10.016 1.00 0.00 C ATOM 0 H PHE A 22 21.905 -6.037 4.352 1.00 0.00 H new ATOM 0 HA PHE A 22 19.915 -7.235 6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.075 -8.312 5.467 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.935 -7.040 6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 22 20.179 -9.533 6.875 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.463 -7.345 8.582 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.874 -10.747 9.014 1.00 0.00 H new ATOM 0 HE2 PHE A 22 23.138 -8.542 10.733 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.343 -10.244 10.951 1.00 0.00 H new ATOM 358 N ASN A 23 21.549 -4.509 6.960 1.00 0.00 N ATOM 359 CA ASN A 23 21.548 -3.410 7.910 1.00 0.00 C ATOM 360 C ASN A 23 20.156 -2.786 7.974 1.00 0.00 C ATOM 361 O ASN A 23 19.664 -2.463 9.052 1.00 0.00 O ATOM 362 CB ASN A 23 22.586 -2.395 7.435 1.00 0.00 C ATOM 363 CG ASN A 23 22.424 -1.046 8.115 1.00 0.00 C ATOM 364 OD1 ASN A 23 22.844 -0.855 9.252 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.811 -0.098 7.412 1.00 0.00 N ATOM 0 H ASN A 23 22.183 -4.382 6.171 1.00 0.00 H new ATOM 0 HA ASN A 23 21.800 -3.754 8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 23 23.586 -2.781 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 23 22.500 -2.268 6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 23 21.675 0.829 7.815 1.00 0.00 H new ATOM 0 HD22 ASN A 23 21.477 -0.298 6.469 1.00 0.00 H new ATOM 372 N LEU A 24 19.524 -2.623 6.811 1.00 0.00 N ATOM 373 CA LEU A 24 18.181 -2.075 6.733 1.00 0.00 C ATOM 374 C LEU A 24 17.129 -3.111 7.139 1.00 0.00 C ATOM 375 O LEU A 24 15.999 -2.747 7.460 1.00 0.00 O ATOM 376 CB LEU A 24 17.918 -1.576 5.314 1.00 0.00 C ATOM 377 CG LEU A 24 18.901 -0.474 4.891 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.706 -0.175 3.408 1.00 0.00 C ATOM 379 CD2 LEU A 24 18.675 0.801 5.700 1.00 0.00 C ATOM 0 H LEU A 24 19.929 -2.867 5.907 1.00 0.00 H new ATOM 0 HA LEU A 24 18.106 -1.242 7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.991 -2.412 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.899 -1.195 5.248 1.00 0.00 H new ATOM 0 HG LEU A 24 19.917 -0.822 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.400 0.607 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.895 -1.078 2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.683 0.160 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.384 1.565 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.658 1.159 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.821 0.590 6.759 1.00 0.00 H new ATOM 391 N LEU A 25 17.487 -4.396 7.129 1.00 0.00 N ATOM 392 CA LEU A 25 16.579 -5.453 7.548 1.00 0.00 C ATOM 393 C LEU A 25 16.553 -5.574 9.070 1.00 0.00 C ATOM 394 O LEU A 25 15.479 -5.723 9.647 1.00 0.00 O ATOM 395 CB LEU A 25 17.007 -6.768 6.883 1.00 0.00 C ATOM 396 CG LEU A 25 16.162 -7.974 7.305 1.00 0.00 C ATOM 397 CD1 LEU A 25 14.694 -7.793 6.923 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.697 -9.224 6.606 1.00 0.00 C ATOM 0 H LEU A 25 18.406 -4.726 6.833 1.00 0.00 H new ATOM 0 HA LEU A 25 15.564 -5.213 7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.947 -6.654 5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.051 -6.964 7.125 1.00 0.00 H new ATOM 0 HG LEU A 25 16.227 -8.071 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.126 -8.668 7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.297 -6.905 7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.611 -7.676 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.102 -10.088 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.635 -9.091 5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.736 -9.385 6.893 1.00 0.00 H new ATOM 410 N VAL A 26 17.708 -5.513 9.739 1.00 0.00 N ATOM 411 CA VAL A 26 17.710 -5.717 11.180 1.00 0.00 C ATOM 412 C VAL A 26 17.056 -4.552 11.908 1.00 0.00 C ATOM 413 O VAL A 26 16.532 -4.767 12.994 1.00 0.00 O ATOM 414 CB VAL A 26 19.113 -5.973 11.742 1.00 0.00 C ATOM 415 CG1 VAL A 26 19.770 -7.171 11.063 1.00 0.00 C ATOM 416 CG2 VAL A 26 20.003 -4.739 11.631 1.00 0.00 C ATOM 0 H VAL A 26 18.620 -5.331 9.320 1.00 0.00 H new ATOM 0 HA VAL A 26 17.121 -6.617 11.357 1.00 0.00 H new ATOM 0 HB VAL A 26 18.995 -6.201 12.801 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.764 -7.327 11.483 1.00 0.00 H new ATOM 0 HG12 VAL A 26 19.162 -8.061 11.228 1.00 0.00 H new ATOM 0 HG13 VAL A 26 19.854 -6.982 9.993 1.00 0.00 H new ATOM 0 HG21 VAL A 26 20.988 -4.963 12.040 1.00 0.00 H new ATOM 0 HG22 VAL A 26 20.101 -4.454 10.583 1.00 0.00 H new ATOM 0 HG23 VAL A 26 19.556 -3.917 12.190 1.00 0.00 H new ATOM 426 N VAL A 27 17.061 -3.333 11.358 1.00 0.00 N ATOM 427 CA VAL A 27 16.439 -2.209 12.059 1.00 0.00 C ATOM 428 C VAL A 27 14.930 -2.400 12.179 1.00 0.00 C ATOM 429 O VAL A 27 14.321 -1.881 13.116 1.00 0.00 O ATOM 430 CB VAL A 27 16.753 -0.878 11.374 1.00 0.00 C ATOM 431 CG1 VAL A 27 18.243 -0.580 11.440 1.00 0.00 C ATOM 432 CG2 VAL A 27 16.346 -0.883 9.903 1.00 0.00 C ATOM 0 H VAL A 27 17.477 -3.104 10.455 1.00 0.00 H new ATOM 0 HA VAL A 27 16.863 -2.182 13.063 1.00 0.00 H new ATOM 0 HB VAL A 27 16.182 -0.116 11.905 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.446 0.371 10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 27 18.557 -0.523 12.482 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.795 -1.374 10.938 1.00 0.00 H new ATOM 0 HG21 VAL A 27 16.587 0.081 9.456 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.886 -1.671 9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.274 -1.062 9.823 1.00 0.00 H new ATOM 442 N ARG A 28 14.312 -3.138 11.250 1.00 0.00 N ATOM 443 CA ARG A 28 12.883 -3.413 11.310 1.00 0.00 C ATOM 444 C ARG A 28 12.586 -4.371 12.455 1.00 0.00 C ATOM 445 O ARG A 28 11.524 -4.305 13.074 1.00 0.00 O ATOM 446 CB ARG A 28 12.420 -4.030 9.987 1.00 0.00 C ATOM 447 CG ARG A 28 12.951 -3.274 8.771 1.00 0.00 C ATOM 448 CD ARG A 28 12.425 -3.885 7.475 1.00 0.00 C ATOM 449 NE ARG A 28 10.980 -3.677 7.314 1.00 0.00 N ATOM 450 CZ ARG A 28 10.355 -3.640 6.133 1.00 0.00 C ATOM 451 NH1 ARG A 28 11.030 -3.791 4.997 1.00 0.00 N ATOM 452 NH2 ARG A 28 9.040 -3.448 6.082 1.00 0.00 N ATOM 0 H ARG A 28 14.786 -3.554 10.448 1.00 0.00 H new ATOM 0 HA ARG A 28 12.347 -2.479 11.479 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.751 -5.068 9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.330 -4.041 9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.654 -2.227 8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.041 -3.296 8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.951 -3.445 6.628 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.641 -4.953 7.464 1.00 0.00 H new ATOM 0 HE ARG A 28 10.418 -3.553 8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.039 -3.938 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.538 -3.760 4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.508 -3.329 6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.563 -3.420 5.181 1.00 0.00 H new ATOM 466 N TYR A 29 13.536 -5.264 12.732 1.00 0.00 N ATOM 467 CA TYR A 29 13.394 -6.265 13.775 1.00 0.00 C ATOM 468 C TYR A 29 14.119 -5.873 15.059 1.00 0.00 C ATOM 469 O TYR A 29 13.958 -6.542 16.075 1.00 0.00 O ATOM 470 CB TYR A 29 13.871 -7.606 13.231 1.00 0.00 C ATOM 471 CG TYR A 29 12.953 -8.143 12.157 1.00 0.00 C ATOM 472 CD1 TYR A 29 13.067 -7.693 10.836 1.00 0.00 C ATOM 473 CD2 TYR A 29 11.978 -9.087 12.493 1.00 0.00 C ATOM 474 CE1 TYR A 29 12.188 -8.159 9.849 1.00 0.00 C ATOM 475 CE2 TYR A 29 11.102 -9.575 11.515 1.00 0.00 C ATOM 476 CZ TYR A 29 11.201 -9.109 10.185 1.00 0.00 C ATOM 477 OH TYR A 29 10.345 -9.577 9.231 1.00 0.00 O ATOM 0 H TYR A 29 14.426 -5.309 12.235 1.00 0.00 H new ATOM 0 HA TYR A 29 12.343 -6.343 14.052 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.877 -7.495 12.826 1.00 0.00 H new ATOM 0 HB3 TYR A 29 13.934 -8.326 14.047 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.837 -6.982 10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 29 11.900 -9.441 13.510 1.00 0.00 H new ATOM 0 HE1 TYR A 29 12.266 -7.793 8.836 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.352 -10.306 11.777 1.00 0.00 H new ATOM 0 HH TYR A 29 9.730 -10.226 9.633 1.00 0.00 H new ATOM 487 N GLN A 30 14.915 -4.803 15.032 1.00 0.00 N ATOM 488 CA GLN A 30 15.700 -4.359 16.174 1.00 0.00 C ATOM 489 C GLN A 30 14.784 -3.965 17.330 1.00 0.00 C ATOM 490 O GLN A 30 15.174 -4.060 18.492 1.00 0.00 O ATOM 491 CB GLN A 30 16.570 -3.192 15.708 1.00 0.00 C ATOM 492 CG GLN A 30 17.579 -2.733 16.755 1.00 0.00 C ATOM 493 CD GLN A 30 18.467 -1.647 16.157 1.00 0.00 C ATOM 494 OE1 GLN A 30 18.482 -0.513 16.627 1.00 0.00 O ATOM 495 NE2 GLN A 30 19.215 -1.990 15.110 1.00 0.00 N ATOM 0 H GLN A 30 15.031 -4.217 14.205 1.00 0.00 H new ATOM 0 HA GLN A 30 16.338 -5.161 16.546 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.104 -3.485 14.804 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.927 -2.353 15.441 1.00 0.00 H new ATOM 0 HG2 GLN A 30 17.060 -2.351 17.634 1.00 0.00 H new ATOM 0 HG3 GLN A 30 18.187 -3.575 17.085 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.177 -2.942 14.746 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.826 -1.301 14.672 1.00 0.00 H new ATOM 504 N HIS A 31 13.561 -3.525 17.017 1.00 0.00 N ATOM 505 CA HIS A 31 12.566 -3.236 18.037 1.00 0.00 C ATOM 506 C HIS A 31 11.789 -4.496 18.411 1.00 0.00 C ATOM 507 O HIS A 31 11.333 -4.630 19.544 1.00 0.00 O ATOM 508 CB HIS A 31 11.622 -2.153 17.514 1.00 0.00 C ATOM 509 CG HIS A 31 10.601 -1.727 18.531 1.00 0.00 C ATOM 510 ND1 HIS A 31 10.858 -0.935 19.651 1.00 0.00 N ATOM 511 CD2 HIS A 31 9.276 -2.058 18.509 1.00 0.00 C ATOM 512 CE1 HIS A 31 9.675 -0.808 20.276 1.00 0.00 C ATOM 513 NE2 HIS A 31 8.710 -1.471 19.614 1.00 0.00 N ATOM 0 H HIS A 31 13.243 -3.363 16.062 1.00 0.00 H new ATOM 0 HA HIS A 31 13.065 -2.880 18.938 1.00 0.00 H new ATOM 0 HB2 HIS A 31 12.207 -1.285 17.208 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.110 -2.522 16.625 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.773 -2.662 17.769 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.520 -0.249 21.187 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.728 -1.528 19.885 1.00 0.00 H new ATOM 521 N LYS A 32 11.636 -5.430 17.464 1.00 0.00 N ATOM 522 CA LYS A 32 10.861 -6.644 17.695 1.00 0.00 C ATOM 523 C LYS A 32 11.625 -7.663 18.537 1.00 0.00 C ATOM 524 O LYS A 32 11.054 -8.271 19.442 1.00 0.00 O ATOM 525 CB LYS A 32 10.461 -7.256 16.350 1.00 0.00 C ATOM 526 CG LYS A 32 9.657 -6.260 15.511 1.00 0.00 C ATOM 527 CD LYS A 32 9.251 -6.920 14.193 1.00 0.00 C ATOM 528 CE LYS A 32 8.462 -5.926 13.343 1.00 0.00 C ATOM 529 NZ LYS A 32 8.042 -6.535 12.067 1.00 0.00 N ATOM 0 H LYS A 32 12.042 -5.363 16.531 1.00 0.00 H new ATOM 0 HA LYS A 32 9.968 -6.372 18.258 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.355 -7.559 15.804 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.870 -8.156 16.518 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.771 -5.939 16.058 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.252 -5.368 15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.138 -7.252 13.653 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.647 -7.806 14.389 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.585 -5.587 13.894 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.074 -5.046 13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.508 -5.838 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.882 -6.836 11.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.439 -7.361 12.258 1.00 0.00 H new ATOM 543 N VAL A 33 12.918 -7.863 18.256 1.00 0.00 N ATOM 544 CA VAL A 33 13.700 -8.856 18.979 1.00 0.00 C ATOM 545 C VAL A 33 14.171 -8.313 20.322 1.00 0.00 C ATOM 546 O VAL A 33 14.403 -9.087 21.244 1.00 0.00 O ATOM 547 CB VAL A 33 14.882 -9.366 18.146 1.00 0.00 C ATOM 548 CG1 VAL A 33 14.413 -9.851 16.775 1.00 0.00 C ATOM 549 CG2 VAL A 33 15.974 -8.312 17.978 1.00 0.00 C ATOM 0 H VAL A 33 13.435 -7.353 17.540 1.00 0.00 H new ATOM 0 HA VAL A 33 13.046 -9.707 19.170 1.00 0.00 H new ATOM 0 HB VAL A 33 15.312 -10.203 18.696 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.269 -10.208 16.203 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.697 -10.663 16.902 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.937 -9.028 16.241 1.00 0.00 H new ATOM 0 HG21 VAL A 33 16.788 -8.723 17.381 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.561 -7.437 17.475 1.00 0.00 H new ATOM 0 HG23 VAL A 33 16.354 -8.022 18.958 1.00 0.00 H new ATOM 559 N ALA A 34 14.311 -6.989 20.451 1.00 0.00 N ATOM 560 CA ALA A 34 14.690 -6.395 21.723 1.00 0.00 C ATOM 561 C ALA A 34 13.529 -6.488 22.713 1.00 0.00 C ATOM 562 O ALA A 34 13.749 -6.435 23.922 1.00 0.00 O ATOM 563 CB ALA A 34 15.107 -4.942 21.513 1.00 0.00 C ATOM 0 H ALA A 34 14.168 -6.320 19.694 1.00 0.00 H new ATOM 0 HA ALA A 34 15.537 -6.942 22.137 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.390 -4.503 22.470 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.956 -4.902 20.830 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.274 -4.382 21.089 1.00 0.00 H new ATOM 569 N SER A 35 12.298 -6.631 22.210 1.00 0.00 N ATOM 570 CA SER A 35 11.125 -6.753 23.060 1.00 0.00 C ATOM 571 C SER A 35 11.040 -8.152 23.658 1.00 0.00 C ATOM 572 O SER A 35 10.717 -8.305 24.833 1.00 0.00 O ATOM 573 CB SER A 35 9.879 -6.470 22.226 1.00 0.00 C ATOM 574 OG SER A 35 8.729 -6.497 23.051 1.00 0.00 O ATOM 0 H SER A 35 12.095 -6.664 21.211 1.00 0.00 H new ATOM 0 HA SER A 35 11.197 -6.035 23.877 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.968 -5.497 21.743 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.786 -7.212 21.433 1.00 0.00 H new ATOM 0 HG SER A 35 7.933 -6.313 22.509 1.00 0.00 H new ATOM 580 N LEU A 36 11.329 -9.177 22.850 1.00 0.00 N ATOM 581 CA LEU A 36 11.234 -10.551 23.314 1.00 0.00 C ATOM 582 C LEU A 36 12.492 -10.999 24.049 1.00 0.00 C ATOM 583 O LEU A 36 12.416 -11.904 24.876 1.00 0.00 O ATOM 584 CB LEU A 36 10.875 -11.473 22.141 1.00 0.00 C ATOM 585 CG LEU A 36 11.972 -11.594 21.080 1.00 0.00 C ATOM 586 CD1 LEU A 36 13.015 -12.663 21.406 1.00 0.00 C ATOM 587 CD2 LEU A 36 11.324 -11.995 19.757 1.00 0.00 C ATOM 0 H LEU A 36 11.628 -9.076 21.880 1.00 0.00 H new ATOM 0 HA LEU A 36 10.431 -10.613 24.049 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.650 -12.466 22.530 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.966 -11.103 21.667 1.00 0.00 H new ATOM 0 HG LEU A 36 12.474 -10.628 21.036 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.763 -12.696 20.613 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.500 -12.422 22.352 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.528 -13.635 21.485 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.092 -12.086 18.989 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.815 -12.951 19.876 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.602 -11.234 19.460 1.00 0.00 H new ATOM 599 N VAL A 37 13.643 -10.385 23.761 1.00 0.00 N ATOM 600 CA VAL A 37 14.888 -10.794 24.404 1.00 0.00 C ATOM 601 C VAL A 37 15.110 -10.052 25.718 1.00 0.00 C ATOM 602 O VAL A 37 15.888 -10.507 26.553 1.00 0.00 O ATOM 603 CB VAL A 37 16.059 -10.668 23.423 1.00 0.00 C ATOM 604 CG1 VAL A 37 16.583 -9.243 23.323 1.00 0.00 C ATOM 605 CG2 VAL A 37 17.214 -11.569 23.848 1.00 0.00 C ATOM 0 H VAL A 37 13.736 -9.616 23.098 1.00 0.00 H new ATOM 0 HA VAL A 37 14.818 -11.847 24.676 1.00 0.00 H new ATOM 0 HB VAL A 37 15.673 -10.969 22.449 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.411 -9.209 22.615 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.785 -8.585 22.979 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.929 -8.913 24.303 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.036 -11.466 23.139 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.554 -11.280 24.843 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.879 -12.606 23.866 1.00 0.00 H new ATOM 615 N SER A 38 14.430 -8.920 25.922 1.00 0.00 N ATOM 616 CA SER A 38 14.466 -8.228 27.203 1.00 0.00 C ATOM 617 C SER A 38 13.742 -9.059 28.266 1.00 0.00 C ATOM 618 O SER A 38 13.791 -8.745 29.455 1.00 0.00 O ATOM 619 CB SER A 38 13.822 -6.846 27.062 1.00 0.00 C ATOM 620 OG SER A 38 13.958 -6.119 28.266 1.00 0.00 O ATOM 0 H SER A 38 13.850 -8.468 25.215 1.00 0.00 H new ATOM 0 HA SER A 38 15.502 -8.098 27.516 1.00 0.00 H new ATOM 0 HB2 SER A 38 14.291 -6.300 26.244 1.00 0.00 H new ATOM 0 HB3 SER A 38 12.767 -6.952 26.810 1.00 0.00 H new ATOM 0 HG SER A 38 13.945 -6.738 29.025 1.00 0.00 H new ATOM 626 N ARG A 39 13.064 -10.132 27.835 1.00 0.00 N ATOM 627 CA ARG A 39 12.362 -11.059 28.712 1.00 0.00 C ATOM 628 C ARG A 39 13.268 -12.214 29.138 1.00 0.00 C ATOM 629 O ARG A 39 12.853 -13.051 29.938 1.00 0.00 O ATOM 630 CB ARG A 39 11.100 -11.573 28.013 1.00 0.00 C ATOM 631 CG ARG A 39 10.296 -10.410 27.426 1.00 0.00 C ATOM 632 CD ARG A 39 9.066 -10.921 26.680 1.00 0.00 C ATOM 633 NE ARG A 39 8.470 -9.841 25.880 1.00 0.00 N ATOM 634 CZ ARG A 39 7.230 -9.862 25.382 1.00 0.00 C ATOM 635 NH1 ARG A 39 6.426 -10.898 25.593 1.00 0.00 N ATOM 636 NH2 ARG A 39 6.795 -8.831 24.663 1.00 0.00 N ATOM 0 H ARG A 39 12.991 -10.378 26.848 1.00 0.00 H new ATOM 0 HA ARG A 39 12.070 -10.530 29.619 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.375 -12.269 27.220 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.484 -12.126 28.723 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.988 -9.736 28.225 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.925 -9.834 26.747 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.344 -11.752 26.032 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.333 -11.303 27.391 1.00 0.00 H new ATOM 0 HE ARG A 39 9.043 -9.018 25.692 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.752 -11.693 26.142 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.482 -10.898 25.206 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.407 -8.032 24.495 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.850 -8.839 24.279 1.00 0.00 H new ATOM 650 N TYR A 40 14.498 -12.264 28.610 1.00 0.00 N ATOM 651 CA TYR A 40 15.460 -13.308 28.944 1.00 0.00 C ATOM 652 C TYR A 40 16.746 -12.718 29.531 1.00 0.00 C ATOM 653 O TYR A 40 17.513 -13.447 30.158 1.00 0.00 O ATOM 654 CB TYR A 40 15.767 -14.142 27.700 1.00 0.00 C ATOM 655 CG TYR A 40 14.580 -14.917 27.166 1.00 0.00 C ATOM 656 CD1 TYR A 40 14.232 -16.153 27.731 1.00 0.00 C ATOM 657 CD2 TYR A 40 13.825 -14.399 26.102 1.00 0.00 C ATOM 658 CE1 TYR A 40 13.125 -16.863 27.246 1.00 0.00 C ATOM 659 CE2 TYR A 40 12.722 -15.105 25.605 1.00 0.00 C ATOM 660 CZ TYR A 40 12.362 -16.338 26.183 1.00 0.00 C ATOM 661 OH TYR A 40 11.283 -17.029 25.719 1.00 0.00 O ATOM 0 H TYR A 40 14.849 -11.579 27.940 1.00 0.00 H new ATOM 0 HA TYR A 40 15.020 -13.950 29.707 1.00 0.00 H new ATOM 0 HB2 TYR A 40 16.139 -13.482 26.916 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.569 -14.842 27.934 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.819 -16.559 28.542 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.096 -13.450 25.664 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.857 -17.812 27.686 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.149 -14.705 24.781 1.00 0.00 H new ATOM 0 HH TYR A 40 10.866 -16.530 24.986 1.00 0.00 H new ATOM 671 N VAL A 41 16.991 -11.415 29.341 1.00 0.00 N ATOM 672 CA VAL A 41 18.130 -10.715 29.934 1.00 0.00 C ATOM 673 C VAL A 41 17.695 -9.320 30.376 1.00 0.00 C ATOM 674 O VAL A 41 16.754 -8.766 29.809 1.00 0.00 O ATOM 675 CB VAL A 41 19.318 -10.629 28.960 1.00 0.00 C ATOM 676 CG1 VAL A 41 19.997 -11.987 28.799 1.00 0.00 C ATOM 677 CG2 VAL A 41 18.893 -10.113 27.583 1.00 0.00 C ATOM 0 H VAL A 41 16.398 -10.816 28.767 1.00 0.00 H new ATOM 0 HA VAL A 41 18.467 -11.283 30.801 1.00 0.00 H new ATOM 0 HB VAL A 41 20.023 -9.920 29.394 1.00 0.00 H new ATOM 0 HG11 VAL A 41 20.833 -11.896 28.105 1.00 0.00 H new ATOM 0 HG12 VAL A 41 20.365 -12.327 29.767 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.279 -12.709 28.410 1.00 0.00 H new ATOM 0 HG21 VAL A 41 19.762 -10.068 26.927 1.00 0.00 H new ATOM 0 HG22 VAL A 41 18.150 -10.786 27.155 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.463 -9.116 27.685 1.00 0.00 H new ATOM 687 N PRO A 42 18.360 -8.740 31.383 1.00 0.00 N ATOM 688 CA PRO A 42 18.032 -7.429 31.917 1.00 0.00 C ATOM 689 C PRO A 42 18.352 -6.327 30.909 1.00 0.00 C ATOM 690 O PRO A 42 19.060 -6.558 29.928 1.00 0.00 O ATOM 691 CB PRO A 42 18.875 -7.293 33.187 1.00 0.00 C ATOM 692 CG PRO A 42 20.098 -8.148 32.869 1.00 0.00 C ATOM 693 CD PRO A 42 19.490 -9.311 32.087 1.00 0.00 C ATOM 0 HA PRO A 42 16.968 -7.330 32.130 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.146 -6.256 33.384 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.344 -7.657 34.067 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.833 -7.602 32.278 1.00 0.00 H new ATOM 0 HG3 PRO A 42 20.603 -8.487 33.773 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.212 -9.740 31.392 1.00 0.00 H new ATOM 0 HD3 PRO A 42 19.175 -10.113 32.754 1.00 0.00 H new ATOM 701 N SER A 43 17.830 -5.121 31.153 1.00 0.00 N ATOM 702 CA SER A 43 17.973 -3.999 30.240 1.00 0.00 C ATOM 703 C SER A 43 19.425 -3.543 30.090 1.00 0.00 C ATOM 704 O SER A 43 19.723 -2.743 29.204 1.00 0.00 O ATOM 705 CB SER A 43 17.112 -2.838 30.733 1.00 0.00 C ATOM 706 OG SER A 43 15.769 -3.255 30.869 1.00 0.00 O ATOM 0 H SER A 43 17.296 -4.902 31.994 1.00 0.00 H new ATOM 0 HA SER A 43 17.641 -4.330 29.256 1.00 0.00 H new ATOM 0 HB2 SER A 43 17.488 -2.477 31.690 1.00 0.00 H new ATOM 0 HB3 SER A 43 17.174 -2.006 30.032 1.00 0.00 H new ATOM 0 HG SER A 43 15.224 -2.505 31.187 1.00 0.00 H new ATOM 712 N GLY A 44 20.332 -4.033 30.937 1.00 0.00 N ATOM 713 CA GLY A 44 21.744 -3.687 30.854 1.00 0.00 C ATOM 714 C GLY A 44 22.509 -4.619 29.917 1.00 0.00 C ATOM 715 O GLY A 44 23.607 -4.284 29.475 1.00 0.00 O ATOM 0 H GLY A 44 20.106 -4.677 31.695 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.845 -2.659 30.505 1.00 0.00 H new ATOM 0 HA3 GLY A 44 22.187 -3.731 31.849 1.00 0.00 H new ATOM 719 N ASP A 45 21.934 -5.788 29.613 1.00 0.00 N ATOM 720 CA ASP A 45 22.557 -6.773 28.742 1.00 0.00 C ATOM 721 C ASP A 45 21.737 -7.002 27.473 1.00 0.00 C ATOM 722 O ASP A 45 22.173 -7.719 26.574 1.00 0.00 O ATOM 723 CB ASP A 45 22.742 -8.075 29.519 1.00 0.00 C ATOM 724 CG ASP A 45 23.760 -7.912 30.646 1.00 0.00 C ATOM 725 OD1 ASP A 45 24.972 -7.948 30.345 1.00 0.00 O ATOM 726 OD2 ASP A 45 23.317 -7.752 31.804 1.00 0.00 O ATOM 0 H ASP A 45 21.021 -6.072 29.968 1.00 0.00 H new ATOM 0 HA ASP A 45 23.529 -6.398 28.423 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.785 -8.392 29.934 1.00 0.00 H new ATOM 0 HB3 ASP A 45 23.071 -8.862 28.840 1.00 0.00 H new ATOM 731 N VAL A 46 20.546 -6.401 27.382 1.00 0.00 N ATOM 732 CA VAL A 46 19.671 -6.603 26.236 1.00 0.00 C ATOM 733 C VAL A 46 20.222 -6.005 24.933 1.00 0.00 C ATOM 734 O VAL A 46 19.964 -6.591 23.884 1.00 0.00 O ATOM 735 CB VAL A 46 18.258 -6.096 26.559 1.00 0.00 C ATOM 736 CG1 VAL A 46 18.127 -4.575 26.553 1.00 0.00 C ATOM 737 CG2 VAL A 46 17.259 -6.653 25.554 1.00 0.00 C ATOM 0 H VAL A 46 20.171 -5.772 28.092 1.00 0.00 H new ATOM 0 HA VAL A 46 19.622 -7.676 26.050 1.00 0.00 H new ATOM 0 HB VAL A 46 18.052 -6.444 27.571 1.00 0.00 H new ATOM 0 HG11 VAL A 46 17.100 -4.297 26.790 1.00 0.00 H new ATOM 0 HG12 VAL A 46 18.799 -4.149 27.298 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.388 -4.191 25.567 1.00 0.00 H new ATOM 0 HG21 VAL A 46 16.260 -6.287 25.793 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.534 -6.329 24.550 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.267 -7.742 25.599 1.00 0.00 H new ATOM 747 N PRO A 47 20.963 -4.884 24.916 1.00 0.00 N ATOM 748 CA PRO A 47 21.382 -4.293 23.654 1.00 0.00 C ATOM 749 C PRO A 47 22.539 -5.068 23.030 1.00 0.00 C ATOM 750 O PRO A 47 22.719 -5.031 21.814 1.00 0.00 O ATOM 751 CB PRO A 47 21.808 -2.872 24.009 1.00 0.00 C ATOM 752 CG PRO A 47 22.368 -3.034 25.420 1.00 0.00 C ATOM 753 CD PRO A 47 21.443 -4.086 26.034 1.00 0.00 C ATOM 0 HA PRO A 47 20.581 -4.312 22.915 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.558 -2.489 23.317 1.00 0.00 H new ATOM 0 HB3 PRO A 47 20.967 -2.179 23.984 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.406 -3.366 25.407 1.00 0.00 H new ATOM 0 HG3 PRO A 47 22.340 -2.097 25.976 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.977 -4.704 26.756 1.00 0.00 H new ATOM 0 HD3 PRO A 47 20.615 -3.618 26.566 1.00 0.00 H new ATOM 761 N ASP A 48 23.329 -5.767 23.850 1.00 0.00 N ATOM 762 CA ASP A 48 24.481 -6.504 23.359 1.00 0.00 C ATOM 763 C ASP A 48 24.055 -7.863 22.811 1.00 0.00 C ATOM 764 O ASP A 48 24.681 -8.386 21.892 1.00 0.00 O ATOM 765 CB ASP A 48 25.485 -6.672 24.498 1.00 0.00 C ATOM 766 CG ASP A 48 26.782 -7.311 24.006 1.00 0.00 C ATOM 767 OD1 ASP A 48 27.524 -6.619 23.273 1.00 0.00 O ATOM 768 OD2 ASP A 48 27.021 -8.488 24.363 1.00 0.00 O ATOM 0 H ASP A 48 23.186 -5.834 24.858 1.00 0.00 H new ATOM 0 HA ASP A 48 24.947 -5.949 22.545 1.00 0.00 H new ATOM 0 HB2 ASP A 48 25.701 -5.700 24.941 1.00 0.00 H new ATOM 0 HB3 ASP A 48 25.048 -7.290 25.283 1.00 0.00 H new ATOM 773 N VAL A 49 22.983 -8.433 23.373 1.00 0.00 N ATOM 774 CA VAL A 49 22.461 -9.708 22.914 1.00 0.00 C ATOM 775 C VAL A 49 21.673 -9.515 21.621 1.00 0.00 C ATOM 776 O VAL A 49 21.579 -10.441 20.817 1.00 0.00 O ATOM 777 CB VAL A 49 21.611 -10.331 24.027 1.00 0.00 C ATOM 778 CG1 VAL A 49 20.901 -11.598 23.549 1.00 0.00 C ATOM 779 CG2 VAL A 49 22.498 -10.712 25.212 1.00 0.00 C ATOM 0 H VAL A 49 22.464 -8.023 24.149 1.00 0.00 H new ATOM 0 HA VAL A 49 23.278 -10.394 22.690 1.00 0.00 H new ATOM 0 HB VAL A 49 20.869 -9.588 24.319 1.00 0.00 H new ATOM 0 HG11 VAL A 49 20.308 -12.012 24.364 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.247 -11.355 22.712 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.641 -12.332 23.230 1.00 0.00 H new ATOM 0 HG21 VAL A 49 21.885 -11.154 25.998 1.00 0.00 H new ATOM 0 HG22 VAL A 49 23.248 -11.433 24.888 1.00 0.00 H new ATOM 0 HG23 VAL A 49 22.994 -9.821 25.597 1.00 0.00 H new ATOM 789 N VAL A 50 21.107 -8.323 21.405 1.00 0.00 N ATOM 790 CA VAL A 50 20.423 -8.019 20.155 1.00 0.00 C ATOM 791 C VAL A 50 21.448 -7.853 19.041 1.00 0.00 C ATOM 792 O VAL A 50 21.192 -8.231 17.901 1.00 0.00 O ATOM 793 CB VAL A 50 19.583 -6.747 20.319 1.00 0.00 C ATOM 794 CG1 VAL A 50 19.079 -6.236 18.968 1.00 0.00 C ATOM 795 CG2 VAL A 50 18.368 -7.049 21.196 1.00 0.00 C ATOM 0 H VAL A 50 21.112 -7.559 22.080 1.00 0.00 H new ATOM 0 HA VAL A 50 19.755 -8.839 19.893 1.00 0.00 H new ATOM 0 HB VAL A 50 20.216 -5.986 20.776 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.487 -5.333 19.118 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.929 -6.009 18.325 1.00 0.00 H new ATOM 0 HG13 VAL A 50 18.461 -7.001 18.497 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.770 -6.145 21.313 1.00 0.00 H new ATOM 0 HG22 VAL A 50 17.764 -7.825 20.726 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.702 -7.392 22.175 1.00 0.00 H new ATOM 805 N GLN A 51 22.618 -7.290 19.361 1.00 0.00 N ATOM 806 CA GLN A 51 23.663 -7.125 18.369 1.00 0.00 C ATOM 807 C GLN A 51 24.276 -8.480 18.036 1.00 0.00 C ATOM 808 O GLN A 51 24.522 -8.771 16.869 1.00 0.00 O ATOM 809 CB GLN A 51 24.707 -6.141 18.897 1.00 0.00 C ATOM 810 CG GLN A 51 25.817 -5.926 17.869 1.00 0.00 C ATOM 811 CD GLN A 51 26.795 -4.837 18.291 1.00 0.00 C ATOM 812 OE1 GLN A 51 26.663 -4.231 19.352 1.00 0.00 O ATOM 813 NE2 GLN A 51 27.798 -4.573 17.459 1.00 0.00 N ATOM 0 H GLN A 51 22.855 -6.947 20.292 1.00 0.00 H new ATOM 0 HA GLN A 51 23.249 -6.717 17.447 1.00 0.00 H new ATOM 0 HB2 GLN A 51 24.231 -5.188 19.130 1.00 0.00 H new ATOM 0 HB3 GLN A 51 25.133 -6.520 19.826 1.00 0.00 H new ATOM 0 HG2 GLN A 51 26.359 -6.860 17.722 1.00 0.00 H new ATOM 0 HG3 GLN A 51 25.374 -5.661 16.909 1.00 0.00 H new ATOM 0 HE21 GLN A 51 27.885 -5.091 16.584 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.481 -3.853 17.695 1.00 0.00 H new ATOM 822 N GLU A 52 24.526 -9.320 19.045 1.00 0.00 N ATOM 823 CA GLU A 52 25.087 -10.634 18.783 1.00 0.00 C ATOM 824 C GLU A 52 24.080 -11.497 18.028 1.00 0.00 C ATOM 825 O GLU A 52 24.475 -12.385 17.276 1.00 0.00 O ATOM 826 CB GLU A 52 25.499 -11.292 20.102 1.00 0.00 C ATOM 827 CG GLU A 52 26.211 -12.622 19.828 1.00 0.00 C ATOM 828 CD GLU A 52 26.766 -13.251 21.104 1.00 0.00 C ATOM 829 OE1 GLU A 52 27.412 -12.518 21.883 1.00 0.00 O ATOM 830 OE2 GLU A 52 26.535 -14.467 21.289 1.00 0.00 O ATOM 0 H GLU A 52 24.351 -9.113 20.028 1.00 0.00 H new ATOM 0 HA GLU A 52 25.974 -10.530 18.158 1.00 0.00 H new ATOM 0 HB2 GLU A 52 26.158 -10.626 20.659 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.619 -11.463 20.723 1.00 0.00 H new ATOM 0 HG2 GLU A 52 25.514 -13.315 19.356 1.00 0.00 H new ATOM 0 HG3 GLU A 52 27.025 -12.458 19.122 1.00 0.00 H new ATOM 837 N ALA A 53 22.781 -11.241 18.216 1.00 0.00 N ATOM 838 CA ALA A 53 21.752 -11.991 17.516 1.00 0.00 C ATOM 839 C ALA A 53 21.711 -11.607 16.042 1.00 0.00 C ATOM 840 O ALA A 53 21.331 -12.430 15.214 1.00 0.00 O ATOM 841 CB ALA A 53 20.401 -11.738 18.179 1.00 0.00 C ATOM 0 H ALA A 53 22.426 -10.522 18.846 1.00 0.00 H new ATOM 0 HA ALA A 53 21.984 -13.054 17.574 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.628 -12.300 17.655 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.441 -12.059 19.220 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.168 -10.674 18.136 1.00 0.00 H new ATOM 847 N PHE A 54 22.095 -10.375 15.691 1.00 0.00 N ATOM 848 CA PHE A 54 22.127 -9.954 14.298 1.00 0.00 C ATOM 849 C PHE A 54 23.440 -10.352 13.631 1.00 0.00 C ATOM 850 O PHE A 54 23.461 -10.599 12.427 1.00 0.00 O ATOM 851 CB PHE A 54 21.888 -8.449 14.209 1.00 0.00 C ATOM 852 CG PHE A 54 20.484 -8.012 14.578 1.00 0.00 C ATOM 853 CD1 PHE A 54 19.375 -8.804 14.233 1.00 0.00 C ATOM 854 CD2 PHE A 54 20.281 -6.803 15.259 1.00 0.00 C ATOM 855 CE1 PHE A 54 18.080 -8.388 14.568 1.00 0.00 C ATOM 856 CE2 PHE A 54 18.983 -6.376 15.577 1.00 0.00 C ATOM 857 CZ PHE A 54 17.884 -7.173 15.235 1.00 0.00 C ATOM 0 H PHE A 54 22.386 -9.658 16.355 1.00 0.00 H new ATOM 0 HA PHE A 54 21.329 -10.464 13.758 1.00 0.00 H new ATOM 0 HB2 PHE A 54 22.597 -7.942 14.864 1.00 0.00 H new ATOM 0 HB3 PHE A 54 22.102 -8.120 13.192 1.00 0.00 H new ATOM 0 HD1 PHE A 54 19.522 -9.736 13.708 1.00 0.00 H new ATOM 0 HD2 PHE A 54 21.129 -6.197 15.540 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.232 -9.005 14.311 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.832 -5.435 16.084 1.00 0.00 H new ATOM 0 HZ PHE A 54 16.884 -6.850 15.486 1.00 0.00 H new ATOM 867 N ILE A 55 24.539 -10.423 14.390 1.00 0.00 N ATOM 868 CA ILE A 55 25.806 -10.888 13.841 1.00 0.00 C ATOM 869 C ILE A 55 25.713 -12.396 13.607 1.00 0.00 C ATOM 870 O ILE A 55 26.244 -12.913 12.625 1.00 0.00 O ATOM 871 CB ILE A 55 26.944 -10.546 14.817 1.00 0.00 C ATOM 872 CG1 ILE A 55 27.067 -9.023 14.967 1.00 0.00 C ATOM 873 CG2 ILE A 55 28.266 -11.134 14.317 1.00 0.00 C ATOM 874 CD1 ILE A 55 28.058 -8.639 16.066 1.00 0.00 C ATOM 0 H ILE A 55 24.572 -10.166 15.376 1.00 0.00 H new ATOM 0 HA ILE A 55 26.017 -10.396 12.891 1.00 0.00 H new ATOM 0 HB ILE A 55 26.715 -10.980 15.790 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.388 -8.589 14.020 1.00 0.00 H new ATOM 0 HG13 ILE A 55 26.089 -8.600 15.196 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.063 -10.884 15.017 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.176 -12.218 14.240 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.501 -10.719 13.337 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.116 -7.553 16.140 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.723 -9.050 17.018 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.043 -9.039 15.824 1.00 0.00 H new ATOM 886 N LYS A 56 25.029 -13.104 14.515 1.00 0.00 N ATOM 887 CA LYS A 56 24.844 -14.542 14.425 1.00 0.00 C ATOM 888 C LYS A 56 23.784 -14.892 13.387 1.00 0.00 C ATOM 889 O LYS A 56 23.881 -15.936 12.741 1.00 0.00 O ATOM 890 CB LYS A 56 24.447 -15.046 15.814 1.00 0.00 C ATOM 891 CG LYS A 56 24.312 -16.570 15.863 1.00 0.00 C ATOM 892 CD LYS A 56 23.885 -17.011 17.262 1.00 0.00 C ATOM 893 CE LYS A 56 24.943 -16.618 18.295 1.00 0.00 C ATOM 894 NZ LYS A 56 24.520 -17.009 19.652 1.00 0.00 N ATOM 0 H LYS A 56 24.589 -12.685 15.334 1.00 0.00 H new ATOM 0 HA LYS A 56 25.768 -15.023 14.103 1.00 0.00 H new ATOM 0 HB2 LYS A 56 25.193 -14.726 16.541 1.00 0.00 H new ATOM 0 HB3 LYS A 56 23.501 -14.590 16.107 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.579 -16.902 15.128 1.00 0.00 H new ATOM 0 HG3 LYS A 56 25.261 -17.036 15.599 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.930 -16.552 17.518 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.735 -18.090 17.279 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.891 -17.098 18.052 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.112 -15.542 18.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.237 -16.703 20.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.610 -16.558 19.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 24.415 -18.043 19.698 1.00 0.00 H new ATOM 908 N ALA A 57 22.777 -14.033 13.219 1.00 0.00 N ATOM 909 CA ALA A 57 21.732 -14.291 12.249 1.00 0.00 C ATOM 910 C ALA A 57 22.284 -14.179 10.835 1.00 0.00 C ATOM 911 O ALA A 57 21.963 -15.008 9.994 1.00 0.00 O ATOM 912 CB ALA A 57 20.573 -13.314 12.447 1.00 0.00 C ATOM 0 H ALA A 57 22.670 -13.163 13.740 1.00 0.00 H new ATOM 0 HA ALA A 57 21.361 -15.305 12.397 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.795 -13.519 11.712 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.164 -13.433 13.451 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.932 -12.293 12.320 1.00 0.00 H new ATOM 918 N TYR A 58 23.111 -13.170 10.555 1.00 0.00 N ATOM 919 CA TYR A 58 23.628 -12.966 9.211 1.00 0.00 C ATOM 920 C TYR A 58 24.462 -14.159 8.747 1.00 0.00 C ATOM 921 O TYR A 58 24.400 -14.556 7.584 1.00 0.00 O ATOM 922 CB TYR A 58 24.495 -11.712 9.208 1.00 0.00 C ATOM 923 CG TYR A 58 24.983 -11.335 7.829 1.00 0.00 C ATOM 924 CD1 TYR A 58 24.062 -10.943 6.846 1.00 0.00 C ATOM 925 CD2 TYR A 58 26.353 -11.384 7.534 1.00 0.00 C ATOM 926 CE1 TYR A 58 24.514 -10.578 5.571 1.00 0.00 C ATOM 927 CE2 TYR A 58 26.807 -11.030 6.257 1.00 0.00 C ATOM 928 CZ TYR A 58 25.888 -10.626 5.268 1.00 0.00 C ATOM 929 OH TYR A 58 26.323 -10.276 4.023 1.00 0.00 O ATOM 0 H TYR A 58 23.433 -12.487 11.241 1.00 0.00 H new ATOM 0 HA TYR A 58 22.787 -12.857 8.526 1.00 0.00 H new ATOM 0 HB2 TYR A 58 23.925 -10.882 9.625 1.00 0.00 H new ATOM 0 HB3 TYR A 58 25.354 -11.869 9.861 1.00 0.00 H new ATOM 0 HD1 TYR A 58 23.006 -10.923 7.072 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.058 -11.695 8.291 1.00 0.00 H new ATOM 0 HE1 TYR A 58 23.807 -10.259 4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 58 27.862 -11.067 6.030 1.00 0.00 H new ATOM 0 HH TYR A 58 27.298 -10.364 3.981 1.00 0.00 H new ATOM 939 N ARG A 59 25.245 -14.734 9.663 1.00 0.00 N ATOM 940 CA ARG A 59 26.104 -15.875 9.364 1.00 0.00 C ATOM 941 C ARG A 59 25.283 -17.142 9.153 1.00 0.00 C ATOM 942 O ARG A 59 25.721 -18.051 8.453 1.00 0.00 O ATOM 943 CB ARG A 59 27.084 -16.053 10.520 1.00 0.00 C ATOM 944 CG ARG A 59 28.024 -14.851 10.612 1.00 0.00 C ATOM 945 CD ARG A 59 28.820 -14.952 11.907 1.00 0.00 C ATOM 946 NE ARG A 59 29.849 -13.910 11.986 1.00 0.00 N ATOM 947 CZ ARG A 59 31.086 -14.029 11.491 1.00 0.00 C ATOM 948 NH1 ARG A 59 31.469 -15.144 10.870 1.00 0.00 N ATOM 949 NH2 ARG A 59 31.948 -13.024 11.612 1.00 0.00 N ATOM 0 H ARG A 59 25.299 -14.419 10.632 1.00 0.00 H new ATOM 0 HA ARG A 59 26.649 -15.689 8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 59 26.536 -16.167 11.455 1.00 0.00 H new ATOM 0 HB3 ARG A 59 27.663 -16.965 10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 59 28.697 -14.831 9.755 1.00 0.00 H new ATOM 0 HG3 ARG A 59 27.453 -13.922 10.590 1.00 0.00 H new ATOM 0 HD2 ARG A 59 28.145 -14.864 12.758 1.00 0.00 H new ATOM 0 HD3 ARG A 59 29.289 -15.934 11.972 1.00 0.00 H new ATOM 0 HE ARG A 59 29.605 -13.035 12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 59 30.816 -15.921 10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 59 32.415 -15.221 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 59 31.666 -12.164 12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 59 32.892 -13.113 11.235 1.00 0.00 H new ATOM 963 N ALA A 60 24.094 -17.198 9.760 1.00 0.00 N ATOM 964 CA ALA A 60 23.170 -18.310 9.595 1.00 0.00 C ATOM 965 C ALA A 60 22.155 -18.035 8.480 1.00 0.00 C ATOM 966 O ALA A 60 21.436 -18.941 8.063 1.00 0.00 O ATOM 967 CB ALA A 60 22.464 -18.567 10.926 1.00 0.00 C ATOM 0 H ALA A 60 23.749 -16.467 10.382 1.00 0.00 H new ATOM 0 HA ALA A 60 23.730 -19.198 9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.769 -19.399 10.814 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.203 -18.812 11.689 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.916 -17.674 11.226 1.00 0.00 H new ATOM 973 N LEU A 61 22.089 -16.792 7.991 1.00 0.00 N ATOM 974 CA LEU A 61 21.124 -16.397 6.978 1.00 0.00 C ATOM 975 C LEU A 61 21.543 -16.922 5.610 1.00 0.00 C ATOM 976 O LEU A 61 20.702 -17.130 4.738 1.00 0.00 O ATOM 977 CB LEU A 61 21.037 -14.872 6.970 1.00 0.00 C ATOM 978 CG LEU A 61 19.831 -14.373 6.173 1.00 0.00 C ATOM 979 CD1 LEU A 61 18.534 -14.753 6.875 1.00 0.00 C ATOM 980 CD2 LEU A 61 19.900 -12.852 6.104 1.00 0.00 C ATOM 0 H LEU A 61 22.706 -16.037 8.291 1.00 0.00 H new ATOM 0 HA LEU A 61 20.146 -16.821 7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.971 -14.507 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.951 -14.459 6.543 1.00 0.00 H new ATOM 0 HG LEU A 61 19.850 -14.821 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.686 -14.390 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.474 -15.838 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.513 -14.304 7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.048 -12.474 5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 61 19.877 -12.441 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 61 20.824 -12.552 5.610 1.00 0.00 H new ATOM 992 N ASP A 62 22.847 -17.142 5.424 1.00 0.00 N ATOM 993 CA ASP A 62 23.364 -17.754 4.211 1.00 0.00 C ATOM 994 C ASP A 62 22.970 -19.233 4.146 1.00 0.00 C ATOM 995 O ASP A 62 23.138 -19.877 3.111 1.00 0.00 O ATOM 996 CB ASP A 62 24.882 -17.585 4.194 1.00 0.00 C ATOM 997 CG ASP A 62 25.496 -18.086 2.887 1.00 0.00 C ATOM 998 OD1 ASP A 62 25.135 -17.518 1.832 1.00 0.00 O ATOM 999 OD2 ASP A 62 26.317 -19.025 2.955 1.00 0.00 O ATOM 0 H ASP A 62 23.564 -16.901 6.108 1.00 0.00 H new ATOM 0 HA ASP A 62 22.936 -17.267 3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 62 25.132 -16.533 4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.317 -18.129 5.032 1.00 0.00 H new ATOM 1004 N SER A 63 22.443 -19.768 5.252 1.00 0.00 N ATOM 1005 CA SER A 63 22.020 -21.155 5.357 1.00 0.00 C ATOM 1006 C SER A 63 20.502 -21.260 5.524 1.00 0.00 C ATOM 1007 O SER A 63 19.974 -22.366 5.631 1.00 0.00 O ATOM 1008 CB SER A 63 22.744 -21.811 6.528 1.00 0.00 C ATOM 1009 OG SER A 63 24.142 -21.770 6.327 1.00 0.00 O ATOM 0 H SER A 63 22.299 -19.235 6.110 1.00 0.00 H new ATOM 0 HA SER A 63 22.279 -21.676 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.488 -21.298 7.455 1.00 0.00 H new ATOM 0 HB3 SER A 63 22.415 -22.845 6.634 1.00 0.00 H new ATOM 0 HG SER A 63 24.594 -22.193 7.087 1.00 0.00 H new ATOM 1015 N PHE A 64 19.796 -20.125 5.549 1.00 0.00 N ATOM 1016 CA PHE A 64 18.346 -20.104 5.668 1.00 0.00 C ATOM 1017 C PHE A 64 17.716 -20.560 4.351 1.00 0.00 C ATOM 1018 O PHE A 64 18.276 -20.309 3.282 1.00 0.00 O ATOM 1019 CB PHE A 64 17.897 -18.697 6.067 1.00 0.00 C ATOM 1020 CG PHE A 64 16.404 -18.526 6.246 1.00 0.00 C ATOM 1021 CD1 PHE A 64 15.673 -19.418 7.040 1.00 0.00 C ATOM 1022 CD2 PHE A 64 15.749 -17.457 5.619 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.291 -19.245 7.207 1.00 0.00 C ATOM 1024 CE2 PHE A 64 14.368 -17.278 5.786 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.642 -18.176 6.577 1.00 0.00 C ATOM 0 H PHE A 64 20.219 -19.199 5.487 1.00 0.00 H new ATOM 0 HA PHE A 64 18.015 -20.794 6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 64 18.392 -18.425 6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.239 -17.994 5.307 1.00 0.00 H new ATOM 0 HD1 PHE A 64 16.175 -20.242 7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.310 -16.768 5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 64 13.729 -19.934 7.820 1.00 0.00 H new ATOM 0 HE2 PHE A 64 13.867 -16.450 5.306 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.577 -18.044 6.702 1.00 0.00 H new ATOM 1099 N PHE A 70 10.429 -15.552 8.034 1.00 0.00 N ATOM 1100 CA PHE A 70 11.701 -14.997 8.472 1.00 0.00 C ATOM 1101 C PHE A 70 11.624 -14.487 9.908 1.00 0.00 C ATOM 1102 O PHE A 70 12.603 -14.576 10.644 1.00 0.00 O ATOM 1103 CB PHE A 70 12.095 -13.846 7.548 1.00 0.00 C ATOM 1104 CG PHE A 70 13.342 -13.128 8.012 1.00 0.00 C ATOM 1105 CD1 PHE A 70 14.571 -13.803 8.018 1.00 0.00 C ATOM 1106 CD2 PHE A 70 13.271 -11.796 8.450 1.00 0.00 C ATOM 1107 CE1 PHE A 70 15.726 -13.144 8.464 1.00 0.00 C ATOM 1108 CE2 PHE A 70 14.431 -11.138 8.887 1.00 0.00 C ATOM 1109 CZ PHE A 70 15.660 -11.813 8.895 1.00 0.00 C ATOM 0 HA PHE A 70 12.449 -15.789 8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.256 -14.232 6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.271 -13.134 7.489 1.00 0.00 H new ATOM 0 HD1 PHE A 70 14.628 -14.827 7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 70 12.324 -11.278 8.451 1.00 0.00 H new ATOM 0 HE1 PHE A 70 16.672 -13.666 8.475 1.00 0.00 H new ATOM 0 HE2 PHE A 70 14.377 -10.111 9.217 1.00 0.00 H new ATOM 0 HZ PHE A 70 16.553 -11.308 9.232 1.00 0.00 H new ATOM 1119 N TYR A 71 10.468 -13.953 10.322 1.00 0.00 N ATOM 1120 CA TYR A 71 10.349 -13.406 11.662 1.00 0.00 C ATOM 1121 C TYR A 71 10.413 -14.510 12.709 1.00 0.00 C ATOM 1122 O TYR A 71 10.977 -14.300 13.780 1.00 0.00 O ATOM 1123 CB TYR A 71 9.065 -12.582 11.791 1.00 0.00 C ATOM 1124 CG TYR A 71 7.773 -13.357 11.667 1.00 0.00 C ATOM 1125 CD1 TYR A 71 7.257 -14.044 12.778 1.00 0.00 C ATOM 1126 CD2 TYR A 71 7.086 -13.383 10.446 1.00 0.00 C ATOM 1127 CE1 TYR A 71 6.056 -14.761 12.669 1.00 0.00 C ATOM 1128 CE2 TYR A 71 5.883 -14.095 10.330 1.00 0.00 C ATOM 1129 CZ TYR A 71 5.364 -14.788 11.442 1.00 0.00 C ATOM 1130 OH TYR A 71 4.198 -15.485 11.332 1.00 0.00 O ATOM 0 H TYR A 71 9.622 -13.892 9.755 1.00 0.00 H new ATOM 0 HA TYR A 71 11.193 -12.740 11.840 1.00 0.00 H new ATOM 0 HB2 TYR A 71 9.074 -12.079 12.758 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.076 -11.805 11.027 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.786 -14.020 13.719 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.484 -12.854 9.593 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.663 -15.291 13.524 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.354 -14.112 9.388 1.00 0.00 H new ATOM 0 HH TYR A 71 3.850 -15.399 10.420 1.00 0.00 H new ATOM 1140 N THR A 72 9.857 -15.690 12.423 1.00 0.00 N ATOM 1141 CA THR A 72 9.905 -16.789 13.376 1.00 0.00 C ATOM 1142 C THR A 72 11.331 -17.312 13.460 1.00 0.00 C ATOM 1143 O THR A 72 11.802 -17.673 14.539 1.00 0.00 O ATOM 1144 CB THR A 72 8.963 -17.913 12.937 1.00 0.00 C ATOM 1145 OG1 THR A 72 7.653 -17.406 12.789 1.00 0.00 O ATOM 1146 CG2 THR A 72 8.941 -19.021 13.988 1.00 0.00 C ATOM 0 H THR A 72 9.375 -15.903 11.549 1.00 0.00 H new ATOM 0 HA THR A 72 9.586 -16.432 14.355 1.00 0.00 H new ATOM 0 HB THR A 72 9.319 -18.314 11.988 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.667 -16.431 12.884 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.268 -19.815 13.665 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.946 -19.425 14.112 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.594 -18.615 14.938 1.00 0.00 H new ATOM 1154 N TRP A 73 12.026 -17.353 12.324 1.00 0.00 N ATOM 1155 CA TRP A 73 13.384 -17.861 12.265 1.00 0.00 C ATOM 1156 C TRP A 73 14.357 -16.906 12.956 1.00 0.00 C ATOM 1157 O TRP A 73 15.349 -17.349 13.532 1.00 0.00 O ATOM 1158 CB TRP A 73 13.760 -18.055 10.795 1.00 0.00 C ATOM 1159 CG TRP A 73 15.173 -18.465 10.558 1.00 0.00 C ATOM 1160 CD1 TRP A 73 15.611 -19.734 10.424 1.00 0.00 C ATOM 1161 CD2 TRP A 73 16.357 -17.624 10.430 1.00 0.00 C ATOM 1162 NE1 TRP A 73 16.975 -19.740 10.224 1.00 0.00 N ATOM 1163 CE2 TRP A 73 17.490 -18.460 10.227 1.00 0.00 C ATOM 1164 CE3 TRP A 73 16.586 -16.233 10.470 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.783 -17.948 10.085 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 17.879 -15.710 10.327 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.973 -16.564 10.140 1.00 0.00 C ATOM 0 H TRP A 73 11.660 -17.035 11.426 1.00 0.00 H new ATOM 0 HA TRP A 73 13.444 -18.814 12.791 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.101 -18.808 10.363 1.00 0.00 H new ATOM 0 HB3 TRP A 73 13.573 -17.123 10.261 1.00 0.00 H new ATOM 0 HD1 TRP A 73 14.986 -20.614 10.467 1.00 0.00 H new ATOM 0 HE1 TRP A 73 17.533 -20.584 10.091 1.00 0.00 H new ATOM 0 HE3 TRP A 73 15.753 -15.561 10.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 19.622 -18.611 9.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.032 -14.641 10.361 1.00 0.00 H new ATOM 0 HH2 TRP A 73 19.966 -16.152 10.038 1.00 0.00 H new ATOM 1178 N LEU A 74 14.079 -15.599 12.906 1.00 0.00 N ATOM 1179 CA LEU A 74 14.944 -14.591 13.497 1.00 0.00 C ATOM 1180 C LEU A 74 14.706 -14.460 14.999 1.00 0.00 C ATOM 1181 O LEU A 74 15.645 -14.213 15.753 1.00 0.00 O ATOM 1182 CB LEU A 74 14.688 -13.262 12.779 1.00 0.00 C ATOM 1183 CG LEU A 74 15.602 -12.138 13.283 1.00 0.00 C ATOM 1184 CD1 LEU A 74 17.081 -12.461 13.062 1.00 0.00 C ATOM 1185 CD2 LEU A 74 15.262 -10.853 12.531 1.00 0.00 C ATOM 0 H LEU A 74 13.248 -15.218 12.454 1.00 0.00 H new ATOM 0 HA LEU A 74 15.986 -14.886 13.373 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.839 -13.396 11.708 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.647 -12.971 12.920 1.00 0.00 H new ATOM 0 HG LEU A 74 15.437 -12.024 14.354 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.692 -11.639 13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.338 -13.375 13.598 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.268 -12.600 11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.906 -10.046 12.881 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.418 -11.004 11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.220 -10.590 12.712 1.00 0.00 H new ATOM 1197 N TYR A 75 13.460 -14.627 15.449 1.00 0.00 N ATOM 1198 CA TYR A 75 13.156 -14.541 16.873 1.00 0.00 C ATOM 1199 C TYR A 75 13.875 -15.653 17.631 1.00 0.00 C ATOM 1200 O TYR A 75 14.201 -15.488 18.807 1.00 0.00 O ATOM 1201 CB TYR A 75 11.642 -14.661 17.092 1.00 0.00 C ATOM 1202 CG TYR A 75 10.779 -13.532 16.559 1.00 0.00 C ATOM 1203 CD1 TYR A 75 11.337 -12.370 15.997 1.00 0.00 C ATOM 1204 CD2 TYR A 75 9.383 -13.664 16.633 1.00 0.00 C ATOM 1205 CE1 TYR A 75 10.506 -11.345 15.521 1.00 0.00 C ATOM 1206 CE2 TYR A 75 8.545 -12.644 16.152 1.00 0.00 C ATOM 1207 CZ TYR A 75 9.107 -11.480 15.594 1.00 0.00 C ATOM 1208 OH TYR A 75 8.303 -10.484 15.124 1.00 0.00 O ATOM 0 H TYR A 75 12.655 -14.820 14.853 1.00 0.00 H new ATOM 0 HA TYR A 75 13.498 -13.576 17.248 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.306 -15.591 16.633 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.460 -14.750 18.163 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.410 -12.266 15.932 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.951 -14.556 17.063 1.00 0.00 H new ATOM 0 HE1 TYR A 75 10.940 -10.451 15.098 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.472 -12.753 16.210 1.00 0.00 H new ATOM 0 HH TYR A 75 7.364 -10.735 15.248 1.00 0.00 H new ATOM 1218 N ARG A 76 14.130 -16.785 16.961 1.00 0.00 N ATOM 1219 CA ARG A 76 14.811 -17.920 17.570 1.00 0.00 C ATOM 1220 C ARG A 76 16.301 -17.648 17.739 1.00 0.00 C ATOM 1221 O ARG A 76 16.930 -18.242 18.613 1.00 0.00 O ATOM 1222 CB ARG A 76 14.591 -19.162 16.704 1.00 0.00 C ATOM 1223 CG ARG A 76 13.124 -19.591 16.712 1.00 0.00 C ATOM 1224 CD ARG A 76 12.712 -20.154 18.073 1.00 0.00 C ATOM 1225 NE ARG A 76 11.302 -20.565 18.070 1.00 0.00 N ATOM 1226 CZ ARG A 76 10.696 -21.164 19.101 1.00 0.00 C ATOM 1227 NH1 ARG A 76 11.357 -21.428 20.224 1.00 0.00 N ATOM 1228 NH2 ARG A 76 9.413 -21.499 19.010 1.00 0.00 N ATOM 0 H ARG A 76 13.869 -16.933 15.986 1.00 0.00 H new ATOM 0 HA ARG A 76 14.394 -18.086 18.563 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.906 -18.955 15.681 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.213 -19.979 17.071 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.493 -18.738 16.464 1.00 0.00 H new ATOM 0 HG3 ARG A 76 12.960 -20.344 15.941 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.342 -21.007 18.323 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.873 -19.402 18.845 1.00 0.00 H new ATOM 0 HE ARG A 76 10.752 -20.383 17.231 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.341 -21.173 20.309 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.880 -21.885 21.001 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.893 -21.299 18.155 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.948 -21.956 19.795 1.00 0.00 H new ATOM 1242 N ILE A 77 16.875 -16.760 16.923 1.00 0.00 N ATOM 1243 CA ILE A 77 18.290 -16.441 17.052 1.00 0.00 C ATOM 1244 C ILE A 77 18.517 -15.617 18.318 1.00 0.00 C ATOM 1245 O ILE A 77 19.516 -15.802 19.012 1.00 0.00 O ATOM 1246 CB ILE A 77 18.793 -15.658 15.831 1.00 0.00 C ATOM 1247 CG1 ILE A 77 18.453 -16.323 14.491 1.00 0.00 C ATOM 1248 CG2 ILE A 77 20.310 -15.488 15.941 1.00 0.00 C ATOM 1249 CD1 ILE A 77 18.989 -17.748 14.356 1.00 0.00 C ATOM 0 H ILE A 77 16.388 -16.259 16.180 1.00 0.00 H new ATOM 0 HA ILE A 77 18.848 -17.376 17.114 1.00 0.00 H new ATOM 0 HB ILE A 77 18.282 -14.695 15.838 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.370 -16.339 14.368 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.856 -15.715 13.681 1.00 0.00 H new ATOM 0 HG21 ILE A 77 20.677 -14.933 15.078 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.550 -14.941 16.853 1.00 0.00 H new ATOM 0 HG23 ILE A 77 20.785 -16.469 15.970 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.709 -18.151 13.383 1.00 0.00 H new ATOM 0 HD12 ILE A 77 20.075 -17.738 14.446 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.566 -18.372 15.143 1.00 0.00 H new ATOM 1261 N ALA A 78 17.589 -14.706 18.628 1.00 0.00 N ATOM 1262 CA ALA A 78 17.767 -13.790 19.741 1.00 0.00 C ATOM 1263 C ALA A 78 17.538 -14.462 21.096 1.00 0.00 C ATOM 1264 O ALA A 78 18.228 -14.139 22.060 1.00 0.00 O ATOM 1265 CB ALA A 78 16.823 -12.603 19.554 1.00 0.00 C ATOM 0 H ALA A 78 16.712 -14.589 18.121 1.00 0.00 H new ATOM 0 HA ALA A 78 18.802 -13.449 19.744 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.946 -11.906 20.383 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.056 -12.097 18.617 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.793 -12.958 19.528 1.00 0.00 H new ATOM 1271 N VAL A 79 16.583 -15.394 21.189 1.00 0.00 N ATOM 1272 CA VAL A 79 16.294 -16.046 22.460 1.00 0.00 C ATOM 1273 C VAL A 79 17.326 -17.126 22.782 1.00 0.00 C ATOM 1274 O VAL A 79 17.616 -17.363 23.953 1.00 0.00 O ATOM 1275 CB VAL A 79 14.865 -16.598 22.456 1.00 0.00 C ATOM 1276 CG1 VAL A 79 14.662 -17.648 21.370 1.00 0.00 C ATOM 1277 CG2 VAL A 79 14.535 -17.242 23.799 1.00 0.00 C ATOM 0 H VAL A 79 16.007 -15.707 20.408 1.00 0.00 H new ATOM 0 HA VAL A 79 16.365 -15.304 23.255 1.00 0.00 H new ATOM 0 HB VAL A 79 14.207 -15.751 22.264 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.635 -18.012 21.403 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.858 -17.204 20.394 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.347 -18.479 21.535 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.516 -17.628 23.777 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.229 -18.060 23.990 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.624 -16.498 24.591 1.00 0.00 H new ATOM 1287 N ASN A 80 17.891 -17.781 21.764 1.00 0.00 N ATOM 1288 CA ASN A 80 18.899 -18.807 21.997 1.00 0.00 C ATOM 1289 C ASN A 80 20.240 -18.158 22.335 1.00 0.00 C ATOM 1290 O ASN A 80 21.078 -18.784 22.983 1.00 0.00 O ATOM 1291 CB ASN A 80 19.009 -19.709 20.766 1.00 0.00 C ATOM 1292 CG ASN A 80 17.770 -20.574 20.562 1.00 0.00 C ATOM 1293 OD1 ASN A 80 16.856 -20.586 21.383 1.00 0.00 O ATOM 1294 ND2 ASN A 80 17.732 -21.313 19.458 1.00 0.00 N ATOM 0 H ASN A 80 17.668 -17.618 20.782 1.00 0.00 H new ATOM 0 HA ASN A 80 18.604 -19.423 22.846 1.00 0.00 H new ATOM 0 HB2 ASN A 80 19.167 -19.093 19.881 1.00 0.00 H new ATOM 0 HB3 ASN A 80 19.884 -20.351 20.868 1.00 0.00 H new ATOM 0 HD21 ASN A 80 16.928 -21.912 19.273 1.00 0.00 H new ATOM 0 HD22 ASN A 80 18.507 -21.281 18.796 1.00 0.00 H new ATOM 1301 N THR A 81 20.453 -16.909 21.909 1.00 0.00 N ATOM 1302 CA THR A 81 21.675 -16.185 22.231 1.00 0.00 C ATOM 1303 C THR A 81 21.606 -15.644 23.658 1.00 0.00 C ATOM 1304 O THR A 81 22.638 -15.510 24.309 1.00 0.00 O ATOM 1305 CB THR A 81 21.891 -15.051 21.223 1.00 0.00 C ATOM 1306 OG1 THR A 81 22.039 -15.601 19.935 1.00 0.00 O ATOM 1307 CG2 THR A 81 23.160 -14.264 21.543 1.00 0.00 C ATOM 0 H THR A 81 19.791 -16.382 21.340 1.00 0.00 H new ATOM 0 HA THR A 81 22.523 -16.866 22.168 1.00 0.00 H new ATOM 0 HB THR A 81 21.030 -14.385 21.274 1.00 0.00 H new ATOM 0 HG1 THR A 81 21.168 -15.622 19.486 1.00 0.00 H new ATOM 0 HG21 THR A 81 23.288 -13.466 20.811 1.00 0.00 H new ATOM 0 HG22 THR A 81 23.078 -13.832 22.540 1.00 0.00 H new ATOM 0 HG23 THR A 81 24.021 -14.931 21.506 1.00 0.00 H new ATOM 1315 N ALA A 82 20.403 -15.339 24.153 1.00 0.00 N ATOM 1316 CA ALA A 82 20.234 -14.830 25.503 1.00 0.00 C ATOM 1317 C ALA A 82 20.456 -15.934 26.533 1.00 0.00 C ATOM 1318 O ALA A 82 20.947 -15.669 27.629 1.00 0.00 O ATOM 1319 CB ALA A 82 18.826 -14.254 25.631 1.00 0.00 C ATOM 0 H ALA A 82 19.533 -15.439 23.631 1.00 0.00 H new ATOM 0 HA ALA A 82 20.972 -14.051 25.694 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.682 -13.867 26.640 1.00 0.00 H new ATOM 0 HB2 ALA A 82 18.696 -13.447 24.910 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.093 -15.037 25.435 1.00 0.00 H new ATOM 1325 N LYS A 83 20.097 -17.174 26.192 1.00 0.00 N ATOM 1326 CA LYS A 83 20.310 -18.305 27.082 1.00 0.00 C ATOM 1327 C LYS A 83 21.779 -18.720 27.076 1.00 0.00 C ATOM 1328 O LYS A 83 22.279 -19.220 28.081 1.00 0.00 O ATOM 1329 CB LYS A 83 19.403 -19.456 26.648 1.00 0.00 C ATOM 1330 CG LYS A 83 17.936 -19.057 26.829 1.00 0.00 C ATOM 1331 CD LYS A 83 17.022 -20.143 26.272 1.00 0.00 C ATOM 1332 CE LYS A 83 15.568 -19.694 26.387 1.00 0.00 C ATOM 1333 NZ LYS A 83 14.649 -20.716 25.854 1.00 0.00 N ATOM 0 H LYS A 83 19.657 -17.415 25.304 1.00 0.00 H new ATOM 0 HA LYS A 83 20.057 -18.024 28.104 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.595 -19.709 25.605 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.623 -20.346 27.237 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.722 -18.899 27.886 1.00 0.00 H new ATOM 0 HG3 LYS A 83 17.743 -18.113 26.320 1.00 0.00 H new ATOM 0 HD2 LYS A 83 17.271 -20.343 25.230 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.170 -21.074 26.819 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.328 -19.495 27.431 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.430 -18.759 25.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.668 -20.383 25.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.864 -20.887 24.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.765 -21.600 26.389 1.00 0.00 H new ATOM 1347 N ASN A 84 22.467 -18.513 25.951 1.00 0.00 N ATOM 1348 CA ASN A 84 23.887 -18.816 25.853 1.00 0.00 C ATOM 1349 C ASN A 84 24.718 -17.706 26.500 1.00 0.00 C ATOM 1350 O ASN A 84 25.845 -17.937 26.931 1.00 0.00 O ATOM 1351 CB ASN A 84 24.252 -18.987 24.378 1.00 0.00 C ATOM 1352 CG ASN A 84 25.663 -19.533 24.198 1.00 0.00 C ATOM 1353 OD1 ASN A 84 26.199 -20.219 25.064 1.00 0.00 O ATOM 1354 ND2 ASN A 84 26.277 -19.233 23.060 1.00 0.00 N ATOM 0 H ASN A 84 22.058 -18.136 25.096 1.00 0.00 H new ATOM 0 HA ASN A 84 24.105 -19.741 26.387 1.00 0.00 H new ATOM 0 HB2 ASN A 84 23.539 -19.662 23.904 1.00 0.00 H new ATOM 0 HB3 ASN A 84 24.168 -18.026 23.870 1.00 0.00 H new ATOM 0 HD21 ASN A 84 27.222 -19.575 22.885 1.00 0.00 H new ATOM 0 HD22 ASN A 84 25.804 -18.661 22.361 1.00 0.00 H new