USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -149:sc= -1.13 (180deg=-2.93!) USER MOD Single : A 18 MET CE :methyl 146:sc= -3.84! (180deg=-5.58!) USER MOD Single : A 21 ASN : amide:sc= -2.09 K(o=-2.1,f=-4.3!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 38:sc= 0.798 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 66:sc= 1.05 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 120:sc= -2.6! USER MOD Single : A 56 THR OG1 : rot 140:sc= 0.506 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -55:sc= 0.141 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= -0.381 (180deg=-0.404) USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.119) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 161:sc= -0.972 (180deg=-1.6) USER MOD Single : A 87 MET CE :methyl -116:sc= -1.75 (180deg=-3.95!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N LEU A 5 10.029 -7.314 -6.285 1.00 0.00 N ATOM 76 CA LEU A 5 11.094 -7.269 -7.280 1.00 0.00 C ATOM 77 C LEU A 5 11.321 -8.645 -7.898 1.00 0.00 C ATOM 78 O LEU A 5 11.201 -9.668 -7.223 1.00 0.00 O ATOM 79 CB LEU A 5 12.390 -6.761 -6.646 1.00 0.00 C ATOM 80 CG LEU A 5 12.516 -5.245 -6.499 1.00 0.00 C ATOM 81 CD1 LEU A 5 12.435 -4.568 -7.858 1.00 0.00 C ATOM 82 CD2 LEU A 5 11.438 -4.708 -5.569 1.00 0.00 C ATOM 0 HA LEU A 5 10.790 -6.583 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 5 12.488 -7.211 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 5 13.228 -7.119 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 5 13.489 -5.022 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 5 12.527 -3.489 -7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 5 13.243 -4.930 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.477 -4.799 -8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 5 11.543 -3.627 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 5 10.455 -4.943 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 5 11.543 -5.168 -4.587 1.00 0.00 H new ATOM 94 N LYS A 6 11.653 -8.663 -9.184 1.00 0.00 N ATOM 95 CA LYS A 6 11.902 -9.913 -9.893 1.00 0.00 C ATOM 96 C LYS A 6 13.274 -9.897 -10.560 1.00 0.00 C ATOM 97 O LYS A 6 13.668 -8.901 -11.167 1.00 0.00 O ATOM 98 CB LYS A 6 10.815 -10.151 -10.944 1.00 0.00 C ATOM 99 CG LYS A 6 10.974 -9.295 -12.189 1.00 0.00 C ATOM 100 CD LYS A 6 9.660 -9.150 -12.938 1.00 0.00 C ATOM 101 CE LYS A 6 9.155 -10.493 -13.442 1.00 0.00 C ATOM 102 NZ LYS A 6 8.268 -10.342 -14.629 1.00 0.00 N ATOM 0 H LYS A 6 11.756 -7.826 -9.757 1.00 0.00 H new ATOM 0 HA LYS A 6 11.881 -10.725 -9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.824 -11.202 -11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.841 -9.951 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.345 -8.309 -11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.721 -9.741 -12.846 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.913 -8.702 -12.282 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.793 -8.471 -13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.004 -11.126 -13.701 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.611 -10.999 -12.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.945 -11.280 -14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.445 -9.759 -14.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.794 -9.882 -15.399 1.00 0.00 H new ATOM 116 N VAL A 7 13.996 -11.006 -10.443 1.00 0.00 N ATOM 117 CA VAL A 7 15.323 -11.121 -11.036 1.00 0.00 C ATOM 118 C VAL A 7 15.412 -12.334 -11.954 1.00 0.00 C ATOM 119 O VAL A 7 15.136 -13.461 -11.541 1.00 0.00 O ATOM 120 CB VAL A 7 16.414 -11.228 -9.954 1.00 0.00 C ATOM 121 CG1 VAL A 7 16.131 -12.398 -9.024 1.00 0.00 C ATOM 122 CG2 VAL A 7 17.787 -11.366 -10.595 1.00 0.00 C ATOM 0 H VAL A 7 13.684 -11.838 -9.943 1.00 0.00 H new ATOM 0 HA VAL A 7 15.488 -10.215 -11.619 1.00 0.00 H new ATOM 0 HB VAL A 7 16.405 -10.313 -9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.912 -12.458 -8.266 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.166 -12.252 -8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.112 -13.324 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.546 -11.440 -9.816 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.812 -12.264 -11.213 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.988 -10.493 -11.216 1.00 0.00 H new ATOM 132 N LYS A 8 15.799 -12.097 -13.203 1.00 0.00 N ATOM 133 CA LYS A 8 15.927 -13.171 -14.182 1.00 0.00 C ATOM 134 C LYS A 8 17.217 -13.026 -14.982 1.00 0.00 C ATOM 135 O LYS A 8 17.754 -11.927 -15.120 1.00 0.00 O ATOM 136 CB LYS A 8 14.724 -13.171 -15.128 1.00 0.00 C ATOM 137 CG LYS A 8 14.473 -11.829 -15.794 1.00 0.00 C ATOM 138 CD LYS A 8 13.485 -10.990 -15.001 1.00 0.00 C ATOM 139 CE LYS A 8 12.958 -9.824 -15.824 1.00 0.00 C ATOM 140 NZ LYS A 8 11.576 -9.442 -15.422 1.00 0.00 N ATOM 0 H LYS A 8 16.030 -11.170 -13.562 1.00 0.00 H new ATOM 0 HA LYS A 8 15.959 -14.119 -13.644 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.879 -13.926 -15.899 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.834 -13.462 -14.570 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.414 -11.289 -15.892 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.090 -11.988 -16.802 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.652 -11.615 -14.678 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.968 -10.612 -14.100 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.621 -8.967 -15.706 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.968 -10.091 -16.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.065 -9.070 -16.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.078 -10.278 -15.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.619 -8.712 -14.683 1.00 0.00 H new ATOM 154 N VAL A 9 17.709 -14.143 -15.510 1.00 0.00 N ATOM 155 CA VAL A 9 18.934 -14.140 -16.300 1.00 0.00 C ATOM 156 C VAL A 9 18.703 -13.519 -17.673 1.00 0.00 C ATOM 157 O VAL A 9 17.699 -13.796 -18.328 1.00 0.00 O ATOM 158 CB VAL A 9 19.489 -15.566 -16.480 1.00 0.00 C ATOM 159 CG1 VAL A 9 20.747 -15.545 -17.335 1.00 0.00 C ATOM 160 CG2 VAL A 9 19.764 -16.205 -15.127 1.00 0.00 C ATOM 0 H VAL A 9 17.278 -15.061 -15.405 1.00 0.00 H new ATOM 0 HA VAL A 9 19.662 -13.541 -15.752 1.00 0.00 H new ATOM 0 HB VAL A 9 18.739 -16.167 -16.994 1.00 0.00 H new ATOM 0 HG11 VAL A 9 21.125 -16.561 -17.451 1.00 0.00 H new ATOM 0 HG12 VAL A 9 20.514 -15.130 -18.316 1.00 0.00 H new ATOM 0 HG13 VAL A 9 21.505 -14.929 -16.852 1.00 0.00 H new ATOM 0 HG21 VAL A 9 20.155 -17.212 -15.273 1.00 0.00 H new ATOM 0 HG22 VAL A 9 20.495 -15.606 -14.584 1.00 0.00 H new ATOM 0 HG23 VAL A 9 18.838 -16.255 -14.553 1.00 0.00 H new ATOM 170 N GLU A 10 19.639 -12.678 -18.101 1.00 0.00 N ATOM 171 CA GLU A 10 19.535 -12.018 -19.397 1.00 0.00 C ATOM 172 C GLU A 10 20.611 -12.525 -20.354 1.00 0.00 C ATOM 173 O GLU A 10 20.415 -12.548 -21.569 1.00 0.00 O ATOM 174 CB GLU A 10 19.657 -10.501 -19.233 1.00 0.00 C ATOM 175 CG GLU A 10 21.062 -10.037 -18.888 1.00 0.00 C ATOM 176 CD GLU A 10 21.192 -8.527 -18.878 1.00 0.00 C ATOM 177 OE1 GLU A 10 20.185 -7.847 -18.588 1.00 0.00 O ATOM 178 OE2 GLU A 10 22.299 -8.024 -19.161 1.00 0.00 O ATOM 0 H GLU A 10 20.476 -12.438 -17.570 1.00 0.00 H new ATOM 0 HA GLU A 10 18.558 -12.254 -19.818 1.00 0.00 H new ATOM 0 HB2 GLU A 10 19.341 -10.018 -20.157 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.973 -10.172 -18.451 1.00 0.00 H new ATOM 0 HG2 GLU A 10 21.340 -10.428 -17.909 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.765 -10.454 -19.609 1.00 0.00 H new ATOM 185 N ASP A 11 21.747 -12.929 -19.796 1.00 0.00 N ATOM 186 CA ASP A 11 22.855 -13.436 -20.598 1.00 0.00 C ATOM 187 C ASP A 11 23.868 -14.168 -19.724 1.00 0.00 C ATOM 188 O ASP A 11 24.526 -13.562 -18.878 1.00 0.00 O ATOM 189 CB ASP A 11 23.540 -12.289 -21.343 1.00 0.00 C ATOM 190 CG ASP A 11 24.261 -12.758 -22.591 1.00 0.00 C ATOM 191 OD1 ASP A 11 24.451 -13.983 -22.741 1.00 0.00 O ATOM 192 OD2 ASP A 11 24.636 -11.901 -23.418 1.00 0.00 O ATOM 0 H ASP A 11 21.925 -12.915 -18.792 1.00 0.00 H new ATOM 0 HA ASP A 11 22.452 -14.142 -21.325 1.00 0.00 H new ATOM 0 HB2 ASP A 11 22.795 -11.541 -21.616 1.00 0.00 H new ATOM 0 HB3 ASP A 11 24.252 -11.801 -20.677 1.00 0.00 H new ATOM 197 N PHE A 12 23.987 -15.475 -19.933 1.00 0.00 N ATOM 198 CA PHE A 12 24.918 -16.291 -19.163 1.00 0.00 C ATOM 199 C PHE A 12 26.119 -16.695 -20.013 1.00 0.00 C ATOM 200 O PHE A 12 26.054 -16.687 -21.242 1.00 0.00 O ATOM 201 CB PHE A 12 24.214 -17.540 -18.629 1.00 0.00 C ATOM 202 CG PHE A 12 23.746 -18.473 -19.709 1.00 0.00 C ATOM 203 CD1 PHE A 12 22.490 -18.325 -20.274 1.00 0.00 C ATOM 204 CD2 PHE A 12 24.563 -19.497 -20.160 1.00 0.00 C ATOM 205 CE1 PHE A 12 22.057 -19.182 -21.268 1.00 0.00 C ATOM 206 CE2 PHE A 12 24.136 -20.357 -21.154 1.00 0.00 C ATOM 207 CZ PHE A 12 22.881 -20.199 -21.709 1.00 0.00 C ATOM 0 H PHE A 12 23.450 -15.992 -20.629 1.00 0.00 H new ATOM 0 HA PHE A 12 25.274 -15.696 -18.322 1.00 0.00 H new ATOM 0 HB2 PHE A 12 24.894 -18.076 -17.967 1.00 0.00 H new ATOM 0 HB3 PHE A 12 23.358 -17.235 -18.027 1.00 0.00 H new ATOM 0 HD1 PHE A 12 21.842 -17.531 -19.934 1.00 0.00 H new ATOM 0 HD2 PHE A 12 25.545 -19.625 -19.730 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.075 -19.057 -21.700 1.00 0.00 H new ATOM 0 HE2 PHE A 12 24.783 -21.151 -21.496 1.00 0.00 H new ATOM 0 HZ PHE A 12 22.545 -20.869 -22.486 1.00 0.00 H new ATOM 217 N GLY A 13 27.216 -17.047 -19.349 1.00 0.00 N ATOM 218 CA GLY A 13 28.416 -17.449 -20.059 1.00 0.00 C ATOM 219 C GLY A 13 29.483 -17.994 -19.131 1.00 0.00 C ATOM 220 O GLY A 13 29.279 -18.078 -17.920 1.00 0.00 O ATOM 0 H GLY A 13 27.295 -17.061 -18.332 1.00 0.00 H new ATOM 0 HA2 GLY A 13 28.160 -18.208 -20.799 1.00 0.00 H new ATOM 0 HA3 GLY A 13 28.815 -16.594 -20.605 1.00 0.00 H new ATOM 224 N PHE A 14 30.625 -18.369 -19.699 1.00 0.00 N ATOM 225 CA PHE A 14 31.727 -18.912 -18.915 1.00 0.00 C ATOM 226 C PHE A 14 33.064 -18.361 -19.401 1.00 0.00 C ATOM 227 O PHE A 14 33.289 -18.217 -20.603 1.00 0.00 O ATOM 228 CB PHE A 14 31.734 -20.440 -18.995 1.00 0.00 C ATOM 229 CG PHE A 14 32.985 -21.064 -18.446 1.00 0.00 C ATOM 230 CD1 PHE A 14 33.199 -21.131 -17.078 1.00 0.00 C ATOM 231 CD2 PHE A 14 33.947 -21.583 -19.297 1.00 0.00 C ATOM 232 CE1 PHE A 14 34.349 -21.704 -16.571 1.00 0.00 C ATOM 233 CE2 PHE A 14 35.099 -22.158 -18.795 1.00 0.00 C ATOM 234 CZ PHE A 14 35.300 -22.219 -17.430 1.00 0.00 C ATOM 0 H PHE A 14 30.811 -18.306 -20.700 1.00 0.00 H new ATOM 0 HA PHE A 14 31.585 -18.610 -17.878 1.00 0.00 H new ATOM 0 HB2 PHE A 14 30.874 -20.828 -18.449 1.00 0.00 H new ATOM 0 HB3 PHE A 14 31.614 -20.742 -20.035 1.00 0.00 H new ATOM 0 HD1 PHE A 14 32.459 -20.731 -16.401 1.00 0.00 H new ATOM 0 HD2 PHE A 14 33.795 -21.538 -20.365 1.00 0.00 H new ATOM 0 HE1 PHE A 14 34.504 -21.749 -15.503 1.00 0.00 H new ATOM 0 HE2 PHE A 14 35.841 -22.559 -19.469 1.00 0.00 H new ATOM 0 HZ PHE A 14 36.199 -22.669 -17.035 1.00 0.00 H new ATOM 244 N ARG A 15 33.949 -18.052 -18.458 1.00 0.00 N ATOM 245 CA ARG A 15 35.263 -17.515 -18.790 1.00 0.00 C ATOM 246 C ARG A 15 36.359 -18.533 -18.488 1.00 0.00 C ATOM 247 O ARG A 15 36.676 -18.791 -17.327 1.00 0.00 O ATOM 248 CB ARG A 15 35.522 -16.225 -18.009 1.00 0.00 C ATOM 249 CG ARG A 15 36.196 -15.140 -18.833 1.00 0.00 C ATOM 250 CD ARG A 15 35.939 -13.758 -18.251 1.00 0.00 C ATOM 251 NE ARG A 15 36.982 -12.806 -18.621 1.00 0.00 N ATOM 252 CZ ARG A 15 37.128 -11.616 -18.049 1.00 0.00 C ATOM 253 NH1 ARG A 15 36.303 -11.236 -17.083 1.00 0.00 N ATOM 254 NH2 ARG A 15 38.102 -10.805 -18.441 1.00 0.00 N ATOM 0 H ARG A 15 33.780 -18.164 -17.458 1.00 0.00 H new ATOM 0 HA ARG A 15 35.279 -17.296 -19.858 1.00 0.00 H new ATOM 0 HB2 ARG A 15 34.574 -15.844 -17.628 1.00 0.00 H new ATOM 0 HB3 ARG A 15 36.145 -16.453 -17.144 1.00 0.00 H new ATOM 0 HG2 ARG A 15 37.269 -15.326 -18.873 1.00 0.00 H new ATOM 0 HG3 ARG A 15 35.828 -15.179 -19.858 1.00 0.00 H new ATOM 0 HD2 ARG A 15 34.973 -13.392 -18.600 1.00 0.00 H new ATOM 0 HD3 ARG A 15 35.880 -13.827 -17.165 1.00 0.00 H new ATOM 0 HE ARG A 15 37.635 -13.069 -19.359 1.00 0.00 H new ATOM 0 HH11 ARG A 15 35.554 -11.858 -16.778 1.00 0.00 H new ATOM 0 HH12 ARG A 15 36.417 -10.322 -16.645 1.00 0.00 H new ATOM 0 HH21 ARG A 15 38.740 -11.095 -19.182 1.00 0.00 H new ATOM 0 HH22 ARG A 15 38.213 -9.891 -18.001 1.00 0.00 H new ATOM 268 N GLU A 16 36.932 -19.108 -19.541 1.00 0.00 N ATOM 269 CA GLU A 16 37.990 -20.099 -19.387 1.00 0.00 C ATOM 270 C GLU A 16 39.282 -19.445 -18.905 1.00 0.00 C ATOM 271 O GLU A 16 40.126 -20.094 -18.288 1.00 0.00 O ATOM 272 CB GLU A 16 38.237 -20.824 -20.712 1.00 0.00 C ATOM 273 CG GLU A 16 38.601 -19.894 -21.856 1.00 0.00 C ATOM 274 CD GLU A 16 39.308 -20.612 -22.990 1.00 0.00 C ATOM 275 OE1 GLU A 16 40.136 -21.502 -22.702 1.00 0.00 O ATOM 276 OE2 GLU A 16 39.034 -20.284 -24.163 1.00 0.00 O ATOM 0 H GLU A 16 36.681 -18.905 -20.509 1.00 0.00 H new ATOM 0 HA GLU A 16 37.668 -20.823 -18.639 1.00 0.00 H new ATOM 0 HB2 GLU A 16 39.039 -21.549 -20.575 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.342 -21.385 -20.982 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.696 -19.423 -22.238 1.00 0.00 H new ATOM 0 HG3 GLU A 16 39.242 -19.096 -21.481 1.00 0.00 H new ATOM 283 N ASP A 17 39.428 -18.156 -19.192 1.00 0.00 N ATOM 284 CA ASP A 17 40.616 -17.412 -18.787 1.00 0.00 C ATOM 285 C ASP A 17 40.753 -17.392 -17.268 1.00 0.00 C ATOM 286 O ASP A 17 41.861 -17.321 -16.737 1.00 0.00 O ATOM 287 CB ASP A 17 40.556 -15.982 -19.325 1.00 0.00 C ATOM 288 CG ASP A 17 40.531 -15.934 -20.840 1.00 0.00 C ATOM 289 OD1 ASP A 17 41.288 -16.702 -21.471 1.00 0.00 O ATOM 290 OD2 ASP A 17 39.755 -15.129 -21.396 1.00 0.00 O ATOM 0 H ASP A 17 38.739 -17.604 -19.703 1.00 0.00 H new ATOM 0 HA ASP A 17 41.489 -17.913 -19.206 1.00 0.00 H new ATOM 0 HB2 ASP A 17 39.667 -15.487 -18.934 1.00 0.00 H new ATOM 0 HB3 ASP A 17 41.418 -15.423 -18.961 1.00 0.00 H new ATOM 295 N MET A 18 39.621 -17.455 -16.576 1.00 0.00 N ATOM 296 CA MET A 18 39.616 -17.444 -15.117 1.00 0.00 C ATOM 297 C MET A 18 39.338 -18.838 -14.564 1.00 0.00 C ATOM 298 O MET A 18 40.011 -19.296 -13.642 1.00 0.00 O ATOM 299 CB MET A 18 38.568 -16.458 -14.597 1.00 0.00 C ATOM 300 CG MET A 18 39.112 -15.057 -14.368 1.00 0.00 C ATOM 301 SD MET A 18 38.037 -14.057 -13.321 1.00 0.00 S ATOM 302 CE MET A 18 36.615 -13.855 -14.391 1.00 0.00 C ATOM 0 H MET A 18 38.696 -17.514 -17.001 1.00 0.00 H new ATOM 0 HA MET A 18 40.602 -17.128 -14.777 1.00 0.00 H new ATOM 0 HB2 MET A 18 37.744 -16.407 -15.309 1.00 0.00 H new ATOM 0 HB3 MET A 18 38.157 -16.837 -13.661 1.00 0.00 H new ATOM 0 HG2 MET A 18 40.098 -15.125 -13.909 1.00 0.00 H new ATOM 0 HG3 MET A 18 39.241 -14.560 -15.329 1.00 0.00 H new ATOM 0 HE1 MET A 18 35.707 -13.830 -13.789 1.00 0.00 H new ATOM 0 HE2 MET A 18 36.708 -12.922 -14.947 1.00 0.00 H new ATOM 0 HE3 MET A 18 36.564 -14.690 -15.089 1.00 0.00 H new ATOM 312 N GLY A 19 38.341 -19.508 -15.134 1.00 0.00 N ATOM 313 CA GLY A 19 37.992 -20.843 -14.684 1.00 0.00 C ATOM 314 C GLY A 19 36.687 -20.873 -13.914 1.00 0.00 C ATOM 315 O GLY A 19 36.410 -21.825 -13.183 1.00 0.00 O ATOM 0 H GLY A 19 37.769 -19.150 -15.899 1.00 0.00 H new ATOM 0 HA2 GLY A 19 37.917 -21.506 -15.546 1.00 0.00 H new ATOM 0 HA3 GLY A 19 38.792 -21.231 -14.053 1.00 0.00 H new ATOM 319 N LEU A 20 35.883 -19.828 -14.076 1.00 0.00 N ATOM 320 CA LEU A 20 34.599 -19.737 -13.389 1.00 0.00 C ATOM 321 C LEU A 20 33.492 -19.325 -14.355 1.00 0.00 C ATOM 322 O LEU A 20 33.762 -18.813 -15.440 1.00 0.00 O ATOM 323 CB LEU A 20 34.685 -18.735 -12.237 1.00 0.00 C ATOM 324 CG LEU A 20 35.541 -17.493 -12.490 1.00 0.00 C ATOM 325 CD1 LEU A 20 34.881 -16.590 -13.520 1.00 0.00 C ATOM 326 CD2 LEU A 20 35.781 -16.737 -11.191 1.00 0.00 C ATOM 0 H LEU A 20 36.097 -19.032 -14.677 1.00 0.00 H new ATOM 0 HA LEU A 20 34.358 -20.722 -12.989 1.00 0.00 H new ATOM 0 HB2 LEU A 20 33.675 -18.411 -11.988 1.00 0.00 H new ATOM 0 HB3 LEU A 20 35.079 -19.251 -11.362 1.00 0.00 H new ATOM 0 HG LEU A 20 36.505 -17.814 -12.884 1.00 0.00 H new ATOM 0 HD11 LEU A 20 35.505 -15.712 -13.687 1.00 0.00 H new ATOM 0 HD12 LEU A 20 34.762 -17.134 -14.457 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.903 -16.276 -13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 20 36.392 -15.856 -11.390 1.00 0.00 H new ATOM 0 HD22 LEU A 20 34.825 -16.428 -10.768 1.00 0.00 H new ATOM 0 HD23 LEU A 20 36.298 -17.385 -10.483 1.00 0.00 H new ATOM 338 N ASN A 21 32.247 -19.551 -13.950 1.00 0.00 N ATOM 339 CA ASN A 21 31.099 -19.202 -14.779 1.00 0.00 C ATOM 340 C ASN A 21 30.463 -17.898 -14.306 1.00 0.00 C ATOM 341 O ASN A 21 30.455 -17.596 -13.113 1.00 0.00 O ATOM 342 CB ASN A 21 30.062 -20.327 -14.752 1.00 0.00 C ATOM 343 CG ASN A 21 30.691 -21.696 -14.925 1.00 0.00 C ATOM 344 OD1 ASN A 21 31.411 -22.176 -14.049 1.00 0.00 O ATOM 345 ND2 ASN A 21 30.421 -22.332 -16.059 1.00 0.00 N ATOM 0 H ASN A 21 32.007 -19.974 -13.053 1.00 0.00 H new ATOM 0 HA ASN A 21 31.450 -19.065 -15.802 1.00 0.00 H new ATOM 0 HB2 ASN A 21 29.520 -20.296 -13.807 1.00 0.00 H new ATOM 0 HB3 ASN A 21 29.331 -20.163 -15.544 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.816 -23.257 -16.232 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.819 -21.896 -16.757 1.00 0.00 H new ATOM 352 N TYR A 22 29.931 -17.130 -15.250 1.00 0.00 N ATOM 353 CA TYR A 22 29.294 -15.858 -14.931 1.00 0.00 C ATOM 354 C TYR A 22 27.923 -15.754 -15.592 1.00 0.00 C ATOM 355 O TYR A 22 27.641 -16.438 -16.576 1.00 0.00 O ATOM 356 CB TYR A 22 30.179 -14.694 -15.380 1.00 0.00 C ATOM 357 CG TYR A 22 30.229 -14.515 -16.880 1.00 0.00 C ATOM 358 CD1 TYR A 22 29.260 -13.774 -17.545 1.00 0.00 C ATOM 359 CD2 TYR A 22 31.246 -15.089 -17.634 1.00 0.00 C ATOM 360 CE1 TYR A 22 29.302 -13.609 -18.916 1.00 0.00 C ATOM 361 CE2 TYR A 22 31.297 -14.927 -19.005 1.00 0.00 C ATOM 362 CZ TYR A 22 30.322 -14.187 -19.641 1.00 0.00 C ATOM 363 OH TYR A 22 30.369 -14.026 -21.007 1.00 0.00 O ATOM 0 H TYR A 22 29.928 -17.366 -16.242 1.00 0.00 H new ATOM 0 HA TYR A 22 29.160 -15.808 -13.850 1.00 0.00 H new ATOM 0 HB2 TYR A 22 29.813 -13.774 -14.925 1.00 0.00 H new ATOM 0 HB3 TYR A 22 31.191 -14.853 -15.008 1.00 0.00 H new ATOM 0 HD1 TYR A 22 28.460 -13.319 -16.980 1.00 0.00 H new ATOM 0 HD2 TYR A 22 32.009 -15.672 -17.140 1.00 0.00 H new ATOM 0 HE1 TYR A 22 28.540 -13.030 -19.417 1.00 0.00 H new ATOM 0 HE2 TYR A 22 32.096 -15.377 -19.576 1.00 0.00 H new ATOM 0 HH TYR A 22 31.151 -14.496 -21.365 1.00 0.00 H new ATOM 373 N VAL A 23 27.073 -14.890 -15.045 1.00 0.00 N ATOM 374 CA VAL A 23 25.731 -14.694 -15.581 1.00 0.00 C ATOM 375 C VAL A 23 25.226 -13.284 -15.295 1.00 0.00 C ATOM 376 O VAL A 23 25.467 -12.734 -14.221 1.00 0.00 O ATOM 377 CB VAL A 23 24.737 -15.713 -14.994 1.00 0.00 C ATOM 378 CG1 VAL A 23 24.833 -15.738 -13.476 1.00 0.00 C ATOM 379 CG2 VAL A 23 23.319 -15.392 -15.442 1.00 0.00 C ATOM 0 H VAL A 23 27.290 -14.315 -14.231 1.00 0.00 H new ATOM 0 HA VAL A 23 25.796 -14.842 -16.659 1.00 0.00 H new ATOM 0 HB VAL A 23 24.996 -16.704 -15.367 1.00 0.00 H new ATOM 0 HG11 VAL A 23 24.123 -16.464 -13.078 1.00 0.00 H new ATOM 0 HG12 VAL A 23 25.844 -16.019 -13.180 1.00 0.00 H new ATOM 0 HG13 VAL A 23 24.601 -14.749 -13.080 1.00 0.00 H new ATOM 0 HG21 VAL A 23 22.629 -16.122 -15.018 1.00 0.00 H new ATOM 0 HG22 VAL A 23 23.046 -14.394 -15.099 1.00 0.00 H new ATOM 0 HG23 VAL A 23 23.264 -15.430 -16.530 1.00 0.00 H new ATOM 389 N ARG A 24 24.524 -12.705 -16.263 1.00 0.00 N ATOM 390 CA ARG A 24 23.985 -11.359 -16.116 1.00 0.00 C ATOM 391 C ARG A 24 22.512 -11.403 -15.720 1.00 0.00 C ATOM 392 O ARG A 24 21.705 -12.070 -16.367 1.00 0.00 O ATOM 393 CB ARG A 24 24.150 -10.574 -17.419 1.00 0.00 C ATOM 394 CG ARG A 24 25.514 -9.919 -17.567 1.00 0.00 C ATOM 395 CD ARG A 24 26.614 -10.955 -17.737 1.00 0.00 C ATOM 396 NE ARG A 24 27.486 -10.646 -18.867 1.00 0.00 N ATOM 397 CZ ARG A 24 28.314 -9.608 -18.894 1.00 0.00 C ATOM 398 NH1 ARG A 24 28.382 -8.783 -17.858 1.00 0.00 N ATOM 399 NH2 ARG A 24 29.076 -9.393 -19.959 1.00 0.00 N ATOM 0 H ARG A 24 24.315 -13.147 -17.158 1.00 0.00 H new ATOM 0 HA ARG A 24 24.542 -10.857 -15.325 1.00 0.00 H new ATOM 0 HB2 ARG A 24 23.986 -11.246 -18.261 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.379 -9.805 -17.470 1.00 0.00 H new ATOM 0 HG2 ARG A 24 25.506 -9.250 -18.428 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.722 -9.307 -16.690 1.00 0.00 H new ATOM 0 HD2 ARG A 24 27.208 -11.007 -16.824 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.167 -11.938 -17.882 1.00 0.00 H new ATOM 0 HE ARG A 24 27.458 -11.261 -19.680 1.00 0.00 H new ATOM 0 HH11 ARG A 24 27.798 -8.945 -17.038 1.00 0.00 H new ATOM 0 HH12 ARG A 24 29.019 -7.987 -17.881 1.00 0.00 H new ATOM 0 HH21 ARG A 24 29.026 -10.025 -20.758 1.00 0.00 H new ATOM 0 HH22 ARG A 24 29.712 -8.595 -19.979 1.00 0.00 H new ATOM 413 N TYR A 25 22.170 -10.689 -14.653 1.00 0.00 N ATOM 414 CA TYR A 25 20.795 -10.649 -14.169 1.00 0.00 C ATOM 415 C TYR A 25 20.137 -9.315 -14.509 1.00 0.00 C ATOM 416 O TYR A 25 20.791 -8.272 -14.521 1.00 0.00 O ATOM 417 CB TYR A 25 20.758 -10.878 -12.658 1.00 0.00 C ATOM 418 CG TYR A 25 21.256 -12.243 -12.240 1.00 0.00 C ATOM 419 CD1 TYR A 25 20.628 -13.400 -12.685 1.00 0.00 C ATOM 420 CD2 TYR A 25 22.354 -12.377 -11.399 1.00 0.00 C ATOM 421 CE1 TYR A 25 21.079 -14.649 -12.306 1.00 0.00 C ATOM 422 CE2 TYR A 25 22.813 -13.622 -11.016 1.00 0.00 C ATOM 423 CZ TYR A 25 22.172 -14.755 -11.472 1.00 0.00 C ATOM 424 OH TYR A 25 22.626 -15.997 -11.091 1.00 0.00 O ATOM 0 H TYR A 25 22.826 -10.130 -14.107 1.00 0.00 H new ATOM 0 HA TYR A 25 20.238 -11.445 -14.664 1.00 0.00 H new ATOM 0 HB2 TYR A 25 21.362 -10.114 -12.168 1.00 0.00 H new ATOM 0 HB3 TYR A 25 19.735 -10.750 -12.305 1.00 0.00 H new ATOM 0 HD1 TYR A 25 19.772 -13.321 -13.339 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.857 -11.492 -11.039 1.00 0.00 H new ATOM 0 HE1 TYR A 25 20.578 -15.538 -12.661 1.00 0.00 H new ATOM 0 HE2 TYR A 25 23.669 -13.708 -10.363 1.00 0.00 H new ATOM 0 HH TYR A 25 22.550 -16.619 -11.845 1.00 0.00 H new ATOM 434 N ARG A 26 18.837 -9.357 -14.783 1.00 0.00 N ATOM 435 CA ARG A 26 18.088 -8.154 -15.123 1.00 0.00 C ATOM 436 C ARG A 26 17.145 -7.762 -13.990 1.00 0.00 C ATOM 437 O ARG A 26 16.179 -8.468 -13.700 1.00 0.00 O ATOM 438 CB ARG A 26 17.293 -8.369 -16.412 1.00 0.00 C ATOM 439 CG ARG A 26 16.829 -7.077 -17.065 1.00 0.00 C ATOM 440 CD ARG A 26 15.407 -6.726 -16.657 1.00 0.00 C ATOM 441 NE ARG A 26 14.416 -7.458 -17.442 1.00 0.00 N ATOM 442 CZ ARG A 26 13.146 -7.084 -17.555 1.00 0.00 C ATOM 443 NH1 ARG A 26 12.715 -5.993 -16.937 1.00 0.00 N ATOM 444 NH2 ARG A 26 12.304 -7.802 -18.288 1.00 0.00 N ATOM 0 H ARG A 26 18.281 -10.212 -14.776 1.00 0.00 H new ATOM 0 HA ARG A 26 18.801 -7.344 -15.275 1.00 0.00 H new ATOM 0 HB2 ARG A 26 17.909 -8.923 -17.120 1.00 0.00 H new ATOM 0 HB3 ARG A 26 16.423 -8.988 -16.193 1.00 0.00 H new ATOM 0 HG2 ARG A 26 17.500 -6.265 -16.785 1.00 0.00 H new ATOM 0 HG3 ARG A 26 16.884 -7.176 -18.149 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.268 -6.949 -15.599 1.00 0.00 H new ATOM 0 HD3 ARG A 26 15.248 -5.655 -16.781 1.00 0.00 H new ATOM 0 HE ARG A 26 14.715 -8.302 -17.930 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.359 -5.438 -16.373 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.740 -5.708 -17.026 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.632 -8.642 -18.765 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.329 -7.514 -18.374 1.00 0.00 H new ATOM 458 N VAL A 27 17.431 -6.631 -13.352 1.00 0.00 N ATOM 459 CA VAL A 27 16.609 -6.144 -12.251 1.00 0.00 C ATOM 460 C VAL A 27 16.079 -4.744 -12.538 1.00 0.00 C ATOM 461 O VAL A 27 16.819 -3.869 -12.987 1.00 0.00 O ATOM 462 CB VAL A 27 17.398 -6.122 -10.929 1.00 0.00 C ATOM 463 CG1 VAL A 27 18.657 -5.281 -11.073 1.00 0.00 C ATOM 464 CG2 VAL A 27 16.525 -5.600 -9.797 1.00 0.00 C ATOM 0 H VAL A 27 18.227 -6.035 -13.579 1.00 0.00 H new ATOM 0 HA VAL A 27 15.770 -6.833 -12.153 1.00 0.00 H new ATOM 0 HB VAL A 27 17.697 -7.142 -10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.202 -5.277 -10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 27 19.289 -5.703 -11.855 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.384 -4.260 -11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 27 17.098 -5.591 -8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.195 -4.587 -10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.656 -6.247 -9.680 1.00 0.00 H new ATOM 474 N SER A 28 14.792 -4.539 -12.276 1.00 0.00 N ATOM 475 CA SER A 28 14.161 -3.245 -12.510 1.00 0.00 C ATOM 476 C SER A 28 13.453 -2.752 -11.252 1.00 0.00 C ATOM 477 O SER A 28 12.809 -3.525 -10.544 1.00 0.00 O ATOM 478 CB SER A 28 13.163 -3.342 -13.666 1.00 0.00 C ATOM 479 OG SER A 28 12.679 -4.665 -13.812 1.00 0.00 O ATOM 0 H SER A 28 14.166 -5.252 -11.902 1.00 0.00 H new ATOM 0 HA SER A 28 14.941 -2.530 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 28 12.329 -2.664 -13.488 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.642 -3.022 -14.592 1.00 0.00 H new ATOM 0 HG SER A 28 12.042 -4.700 -14.556 1.00 0.00 H new ATOM 485 N GLY A 29 13.576 -1.456 -10.980 1.00 0.00 N ATOM 486 CA GLY A 29 12.944 -0.880 -9.808 1.00 0.00 C ATOM 487 C GLY A 29 13.942 -0.233 -8.869 1.00 0.00 C ATOM 488 O GLY A 29 13.663 -0.051 -7.683 1.00 0.00 O ATOM 0 H GLY A 29 14.102 -0.795 -11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.211 -0.137 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.399 -1.658 -9.274 1.00 0.00 H new ATOM 492 N LEU A 30 15.110 0.114 -9.398 1.00 0.00 N ATOM 493 CA LEU A 30 16.156 0.743 -8.599 1.00 0.00 C ATOM 494 C LEU A 30 16.573 2.080 -9.202 1.00 0.00 C ATOM 495 O LEU A 30 16.226 2.393 -10.341 1.00 0.00 O ATOM 496 CB LEU A 30 17.369 -0.182 -8.491 1.00 0.00 C ATOM 497 CG LEU A 30 17.772 -0.913 -9.773 1.00 0.00 C ATOM 498 CD1 LEU A 30 16.803 -2.048 -10.066 1.00 0.00 C ATOM 499 CD2 LEU A 30 17.830 0.057 -10.944 1.00 0.00 C ATOM 0 H LEU A 30 15.357 -0.030 -10.377 1.00 0.00 H new ATOM 0 HA LEU A 30 15.756 0.925 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.220 0.407 -8.149 1.00 0.00 H new ATOM 0 HB3 LEU A 30 17.166 -0.926 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 30 18.765 -1.338 -9.630 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.105 -2.557 -10.981 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.811 -2.756 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.798 -1.645 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.118 -0.480 -11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.850 0.511 -11.089 1.00 0.00 H new ATOM 0 HD23 LEU A 30 18.564 0.836 -10.735 1.00 0.00 H new ATOM 511 N ASP A 31 17.321 2.863 -8.433 1.00 0.00 N ATOM 512 CA ASP A 31 17.788 4.166 -8.893 1.00 0.00 C ATOM 513 C ASP A 31 19.304 4.279 -8.755 1.00 0.00 C ATOM 514 O ASP A 31 19.953 3.392 -8.202 1.00 0.00 O ATOM 515 CB ASP A 31 17.107 5.284 -8.103 1.00 0.00 C ATOM 516 CG ASP A 31 15.722 5.604 -8.631 1.00 0.00 C ATOM 517 OD1 ASP A 31 15.621 6.104 -9.771 1.00 0.00 O ATOM 518 OD2 ASP A 31 14.738 5.354 -7.903 1.00 0.00 O ATOM 0 H ASP A 31 17.617 2.618 -7.488 1.00 0.00 H new ATOM 0 HA ASP A 31 17.528 4.267 -9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.035 4.993 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 31 17.724 6.181 -8.143 1.00 0.00 H new ATOM 523 N GLU A 32 19.859 5.375 -9.261 1.00 0.00 N ATOM 524 CA GLU A 32 21.298 5.602 -9.195 1.00 0.00 C ATOM 525 C GLU A 32 21.814 5.413 -7.771 1.00 0.00 C ATOM 526 O GLU A 32 22.828 4.752 -7.552 1.00 0.00 O ATOM 527 CB GLU A 32 21.637 7.010 -9.689 1.00 0.00 C ATOM 528 CG GLU A 32 20.729 8.089 -9.124 1.00 0.00 C ATOM 529 CD GLU A 32 21.082 9.474 -9.632 1.00 0.00 C ATOM 530 OE1 GLU A 32 20.910 9.723 -10.844 1.00 0.00 O ATOM 531 OE2 GLU A 32 21.529 10.308 -8.818 1.00 0.00 O ATOM 0 H GLU A 32 19.335 6.119 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 32 21.786 4.871 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 32 22.669 7.240 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.576 7.029 -10.777 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.695 7.863 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.792 8.078 -8.036 1.00 0.00 H new ATOM 538 N GLU A 33 21.107 5.998 -6.809 1.00 0.00 N ATOM 539 CA GLU A 33 21.495 5.895 -5.407 1.00 0.00 C ATOM 540 C GLU A 33 21.302 4.471 -4.893 1.00 0.00 C ATOM 541 O GLU A 33 22.204 3.890 -4.287 1.00 0.00 O ATOM 542 CB GLU A 33 20.680 6.871 -4.556 1.00 0.00 C ATOM 543 CG GLU A 33 20.946 6.747 -3.065 1.00 0.00 C ATOM 544 CD GLU A 33 22.389 7.038 -2.704 1.00 0.00 C ATOM 545 OE1 GLU A 33 23.096 7.654 -3.529 1.00 0.00 O ATOM 546 OE2 GLU A 33 22.813 6.649 -1.596 1.00 0.00 O ATOM 0 H GLU A 33 20.264 6.547 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 33 22.552 6.151 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 33 20.903 7.890 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 33 19.619 6.704 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 33 20.295 7.434 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 33 20.689 5.740 -2.736 1.00 0.00 H new ATOM 553 N LEU A 34 20.122 3.914 -5.139 1.00 0.00 N ATOM 554 CA LEU A 34 19.809 2.558 -4.701 1.00 0.00 C ATOM 555 C LEU A 34 20.842 1.565 -5.224 1.00 0.00 C ATOM 556 O LEU A 34 21.250 0.645 -4.514 1.00 0.00 O ATOM 557 CB LEU A 34 18.412 2.157 -5.178 1.00 0.00 C ATOM 558 CG LEU A 34 17.449 1.665 -4.097 1.00 0.00 C ATOM 559 CD1 LEU A 34 18.068 0.518 -3.313 1.00 0.00 C ATOM 560 CD2 LEU A 34 17.066 2.805 -3.165 1.00 0.00 C ATOM 0 H LEU A 34 19.365 4.380 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 34 19.834 2.539 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.960 3.015 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.517 1.372 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 34 16.544 1.300 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.368 0.181 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.291 -0.307 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.989 0.857 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.380 2.436 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.962 3.201 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.581 3.596 -3.737 1.00 0.00 H new ATOM 572 N THR A 35 21.264 1.759 -6.470 1.00 0.00 N ATOM 573 CA THR A 35 22.250 0.881 -7.088 1.00 0.00 C ATOM 574 C THR A 35 23.493 0.751 -6.215 1.00 0.00 C ATOM 575 O THR A 35 24.062 -0.333 -6.088 1.00 0.00 O ATOM 576 CB THR A 35 22.665 1.395 -8.479 1.00 0.00 C ATOM 577 OG1 THR A 35 21.535 1.396 -9.358 1.00 0.00 O ATOM 578 CG2 THR A 35 23.770 0.530 -9.067 1.00 0.00 C ATOM 0 H THR A 35 20.938 2.516 -7.071 1.00 0.00 H new ATOM 0 HA THR A 35 21.781 -0.097 -7.195 1.00 0.00 H new ATOM 0 HB THR A 35 23.040 2.412 -8.369 1.00 0.00 H new ATOM 0 HG1 THR A 35 20.880 2.056 -9.048 1.00 0.00 H new ATOM 0 HG21 THR A 35 24.047 0.912 -10.050 1.00 0.00 H new ATOM 0 HG22 THR A 35 24.639 0.554 -8.410 1.00 0.00 H new ATOM 0 HG23 THR A 35 23.416 -0.497 -9.163 1.00 0.00 H new ATOM 586 N GLU A 36 23.909 1.862 -5.615 1.00 0.00 N ATOM 587 CA GLU A 36 25.085 1.870 -4.754 1.00 0.00 C ATOM 588 C GLU A 36 24.900 0.925 -3.570 1.00 0.00 C ATOM 589 O GLU A 36 25.870 0.415 -3.010 1.00 0.00 O ATOM 590 CB GLU A 36 25.366 3.287 -4.250 1.00 0.00 C ATOM 591 CG GLU A 36 25.802 4.247 -5.343 1.00 0.00 C ATOM 592 CD GLU A 36 26.870 5.217 -4.876 1.00 0.00 C ATOM 593 OE1 GLU A 36 27.960 4.755 -4.480 1.00 0.00 O ATOM 594 OE2 GLU A 36 26.615 6.440 -4.908 1.00 0.00 O ATOM 0 H GLU A 36 23.449 2.767 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 36 25.936 1.525 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 36 24.468 3.678 -3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 36 26.141 3.244 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 36 26.180 3.677 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 36 24.936 4.808 -5.695 1.00 0.00 H new ATOM 601 N LYS A 37 23.646 0.696 -3.194 1.00 0.00 N ATOM 602 CA LYS A 37 23.331 -0.188 -2.079 1.00 0.00 C ATOM 603 C LYS A 37 23.569 -1.647 -2.456 1.00 0.00 C ATOM 604 O LYS A 37 24.297 -2.365 -1.769 1.00 0.00 O ATOM 605 CB LYS A 37 21.877 0.006 -1.643 1.00 0.00 C ATOM 606 CG LYS A 37 21.483 1.462 -1.470 1.00 0.00 C ATOM 607 CD LYS A 37 22.180 2.090 -0.274 1.00 0.00 C ATOM 608 CE LYS A 37 21.836 3.566 -0.141 1.00 0.00 C ATOM 609 NZ LYS A 37 21.971 4.042 1.264 1.00 0.00 N ATOM 0 H LYS A 37 22.831 1.111 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 37 23.990 0.066 -1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 37 21.221 -0.454 -2.382 1.00 0.00 H new ATOM 0 HB3 LYS A 37 21.716 -0.520 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.736 2.018 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.403 1.535 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 37 21.889 1.564 0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 37 23.259 1.975 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 37 22.490 4.151 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.815 3.734 -0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 21.728 5.052 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 21.328 3.501 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 22.951 3.906 1.584 1.00 0.00 H new ATOM 623 N LEU A 38 22.954 -2.078 -3.551 1.00 0.00 N ATOM 624 CA LEU A 38 23.101 -3.451 -4.021 1.00 0.00 C ATOM 625 C LEU A 38 24.539 -3.730 -4.448 1.00 0.00 C ATOM 626 O LEU A 38 25.135 -4.728 -4.041 1.00 0.00 O ATOM 627 CB LEU A 38 22.150 -3.716 -5.189 1.00 0.00 C ATOM 628 CG LEU A 38 20.699 -3.277 -4.986 1.00 0.00 C ATOM 629 CD1 LEU A 38 20.319 -3.355 -3.515 1.00 0.00 C ATOM 630 CD2 LEU A 38 20.489 -1.868 -5.520 1.00 0.00 C ATOM 0 H LEU A 38 22.349 -1.497 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 38 22.850 -4.119 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 38 22.541 -3.211 -6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 38 22.159 -4.785 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 38 20.052 -3.955 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.283 -3.039 -3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.430 -4.381 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 38 20.971 -2.701 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 38 19.451 -1.572 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 38 21.145 -1.177 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 38 20.720 -1.844 -6.585 1.00 0.00 H new ATOM 642 N ILE A 39 25.090 -2.841 -5.268 1.00 0.00 N ATOM 643 CA ILE A 39 26.458 -2.990 -5.747 1.00 0.00 C ATOM 644 C ILE A 39 27.432 -3.157 -4.585 1.00 0.00 C ATOM 645 O ILE A 39 28.480 -3.785 -4.727 1.00 0.00 O ATOM 646 CB ILE A 39 26.892 -1.781 -6.596 1.00 0.00 C ATOM 647 CG1 ILE A 39 28.081 -2.154 -7.484 1.00 0.00 C ATOM 648 CG2 ILE A 39 27.241 -0.602 -5.701 1.00 0.00 C ATOM 649 CD1 ILE A 39 28.662 -0.980 -8.241 1.00 0.00 C ATOM 0 H ILE A 39 24.610 -2.010 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 39 26.479 -3.886 -6.368 1.00 0.00 H new ATOM 0 HB ILE A 39 26.061 -1.490 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 39 28.861 -2.599 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE A 39 27.766 -2.916 -8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 39 27.546 0.244 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 39 26.369 -0.324 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 39 28.058 -0.880 -5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 39 29.501 -1.318 -8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 39 27.897 -0.548 -8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 39 29.008 -0.226 -7.534 1.00 0.00 H new ATOM 661 N GLU A 40 27.077 -2.591 -3.436 1.00 0.00 N ATOM 662 CA GLU A 40 27.919 -2.678 -2.250 1.00 0.00 C ATOM 663 C GLU A 40 27.785 -4.046 -1.586 1.00 0.00 C ATOM 664 O GLU A 40 28.783 -4.684 -1.250 1.00 0.00 O ATOM 665 CB GLU A 40 27.551 -1.577 -1.253 1.00 0.00 C ATOM 666 CG GLU A 40 28.447 -0.353 -1.338 1.00 0.00 C ATOM 667 CD GLU A 40 29.740 -0.522 -0.564 1.00 0.00 C ATOM 668 OE1 GLU A 40 30.000 -1.645 -0.083 1.00 0.00 O ATOM 669 OE2 GLU A 40 30.491 0.467 -0.439 1.00 0.00 O ATOM 0 H GLU A 40 26.212 -2.067 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 40 28.955 -2.544 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 40 26.518 -1.273 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 40 27.600 -1.983 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 40 28.678 -0.148 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 40 27.909 0.514 -0.955 1.00 0.00 H new ATOM 676 N ARG A 41 26.546 -4.488 -1.401 1.00 0.00 N ATOM 677 CA ARG A 41 26.281 -5.778 -0.776 1.00 0.00 C ATOM 678 C ARG A 41 26.777 -6.921 -1.657 1.00 0.00 C ATOM 679 O ARG A 41 27.419 -7.856 -1.176 1.00 0.00 O ATOM 680 CB ARG A 41 24.783 -5.940 -0.508 1.00 0.00 C ATOM 681 CG ARG A 41 24.229 -4.929 0.483 1.00 0.00 C ATOM 682 CD ARG A 41 24.514 -5.342 1.918 1.00 0.00 C ATOM 683 NE ARG A 41 23.621 -6.405 2.370 1.00 0.00 N ATOM 684 CZ ARG A 41 23.890 -7.204 3.396 1.00 0.00 C ATOM 685 NH1 ARG A 41 25.021 -7.061 4.074 1.00 0.00 N ATOM 686 NH2 ARG A 41 23.027 -8.149 3.747 1.00 0.00 N ATOM 0 H ARG A 41 25.710 -3.972 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 41 26.819 -5.812 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.242 -5.847 -1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 41 24.597 -6.946 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 41 24.669 -3.951 0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.153 -4.829 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.548 -5.678 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 41 24.407 -4.477 2.572 1.00 0.00 H new ATOM 0 HE ARG A 41 22.742 -6.541 1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 41 25.687 -6.336 3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.225 -7.676 4.862 1.00 0.00 H new ATOM 0 HH21 ARG A 41 22.156 -8.262 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 41 23.235 -8.762 4.535 1.00 0.00 H new ATOM 700 N LEU A 42 26.476 -6.839 -2.948 1.00 0.00 N ATOM 701 CA LEU A 42 26.891 -7.867 -3.897 1.00 0.00 C ATOM 702 C LEU A 42 28.366 -7.712 -4.256 1.00 0.00 C ATOM 703 O LEU A 42 29.085 -8.700 -4.405 1.00 0.00 O ATOM 704 CB LEU A 42 26.036 -7.795 -5.163 1.00 0.00 C ATOM 705 CG LEU A 42 24.544 -8.075 -4.982 1.00 0.00 C ATOM 706 CD1 LEU A 42 23.791 -7.821 -6.279 1.00 0.00 C ATOM 707 CD2 LEU A 42 24.323 -9.504 -4.506 1.00 0.00 C ATOM 0 H LEU A 42 25.946 -6.072 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 42 26.751 -8.840 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 42 26.149 -6.802 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.434 -8.506 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 42 24.157 -7.396 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.731 -8.026 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.921 -6.781 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.181 -8.474 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 42 23.255 -9.685 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 42 24.726 -10.199 -5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 42 24.829 -9.652 -3.552 1.00 0.00 H new ATOM 719 N ASP A 43 28.809 -6.467 -4.392 1.00 0.00 N ATOM 720 CA ASP A 43 30.199 -6.183 -4.730 1.00 0.00 C ATOM 721 C ASP A 43 30.532 -6.692 -6.129 1.00 0.00 C ATOM 722 O ASP A 43 31.552 -7.350 -6.333 1.00 0.00 O ATOM 723 CB ASP A 43 31.136 -6.822 -3.704 1.00 0.00 C ATOM 724 CG ASP A 43 32.428 -6.045 -3.538 1.00 0.00 C ATOM 725 OD1 ASP A 43 32.794 -5.298 -4.469 1.00 0.00 O ATOM 726 OD2 ASP A 43 33.073 -6.185 -2.478 1.00 0.00 O ATOM 0 H ASP A 43 28.226 -5.638 -4.273 1.00 0.00 H new ATOM 0 HA ASP A 43 30.339 -5.102 -4.713 1.00 0.00 H new ATOM 0 HB2 ASP A 43 30.628 -6.886 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 43 31.366 -7.842 -4.012 1.00 0.00 H new ATOM 731 N GLU A 44 29.666 -6.383 -7.088 1.00 0.00 N ATOM 732 CA GLU A 44 29.869 -6.811 -8.467 1.00 0.00 C ATOM 733 C GLU A 44 29.726 -5.635 -9.429 1.00 0.00 C ATOM 734 O GLU A 44 29.520 -4.496 -9.008 1.00 0.00 O ATOM 735 CB GLU A 44 28.869 -7.909 -8.836 1.00 0.00 C ATOM 736 CG GLU A 44 27.486 -7.697 -8.244 1.00 0.00 C ATOM 737 CD GLU A 44 26.788 -6.478 -8.814 1.00 0.00 C ATOM 738 OE1 GLU A 44 27.035 -6.151 -9.994 1.00 0.00 O ATOM 739 OE2 GLU A 44 25.996 -5.850 -8.081 1.00 0.00 O ATOM 0 H GLU A 44 28.817 -5.838 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 44 30.881 -7.207 -8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 44 28.786 -7.963 -9.921 1.00 0.00 H new ATOM 0 HB3 GLU A 44 29.256 -8.870 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 44 26.876 -8.581 -8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 44 27.570 -7.590 -7.163 1.00 0.00 H new ATOM 746 N ASP A 45 29.837 -5.919 -10.722 1.00 0.00 N ATOM 747 CA ASP A 45 29.720 -4.885 -11.744 1.00 0.00 C ATOM 748 C ASP A 45 28.256 -4.570 -12.034 1.00 0.00 C ATOM 749 O ASP A 45 27.490 -5.444 -12.442 1.00 0.00 O ATOM 750 CB ASP A 45 30.424 -5.327 -13.029 1.00 0.00 C ATOM 751 CG ASP A 45 31.497 -4.350 -13.466 1.00 0.00 C ATOM 752 OD1 ASP A 45 31.173 -3.418 -14.232 1.00 0.00 O ATOM 753 OD2 ASP A 45 32.660 -4.517 -13.044 1.00 0.00 O ATOM 0 H ASP A 45 30.008 -6.856 -11.087 1.00 0.00 H new ATOM 0 HA ASP A 45 30.199 -3.981 -11.368 1.00 0.00 H new ATOM 0 HB2 ASP A 45 30.871 -6.309 -12.875 1.00 0.00 H new ATOM 0 HB3 ASP A 45 29.687 -5.433 -13.825 1.00 0.00 H new ATOM 758 N THR A 46 27.872 -3.316 -11.819 1.00 0.00 N ATOM 759 CA THR A 46 26.499 -2.886 -12.054 1.00 0.00 C ATOM 760 C THR A 46 26.441 -1.784 -13.106 1.00 0.00 C ATOM 761 O THR A 46 27.369 -0.986 -13.233 1.00 0.00 O ATOM 762 CB THR A 46 25.839 -2.378 -10.758 1.00 0.00 C ATOM 763 OG1 THR A 46 26.590 -1.283 -10.223 1.00 0.00 O ATOM 764 CG2 THR A 46 25.750 -3.491 -9.725 1.00 0.00 C ATOM 0 H THR A 46 28.493 -2.580 -11.482 1.00 0.00 H new ATOM 0 HA THR A 46 25.952 -3.758 -12.413 1.00 0.00 H new ATOM 0 HB THR A 46 24.829 -2.043 -10.997 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.020 -0.487 -10.178 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.281 -3.109 -8.818 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.154 -4.311 -10.124 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.752 -3.851 -9.491 1.00 0.00 H new ATOM 772 N GLU A 47 25.345 -1.746 -13.856 1.00 0.00 N ATOM 773 CA GLU A 47 25.167 -0.741 -14.898 1.00 0.00 C ATOM 774 C GLU A 47 23.695 -0.602 -15.274 1.00 0.00 C ATOM 775 O GLU A 47 22.962 -1.590 -15.332 1.00 0.00 O ATOM 776 CB GLU A 47 25.989 -1.106 -16.135 1.00 0.00 C ATOM 777 CG GLU A 47 27.193 -0.205 -16.354 1.00 0.00 C ATOM 778 CD GLU A 47 27.057 0.661 -17.591 1.00 0.00 C ATOM 779 OE1 GLU A 47 26.031 1.362 -17.716 1.00 0.00 O ATOM 780 OE2 GLU A 47 27.977 0.637 -18.436 1.00 0.00 O ATOM 0 H GLU A 47 24.567 -2.399 -13.762 1.00 0.00 H new ATOM 0 HA GLU A 47 25.516 0.215 -14.508 1.00 0.00 H new ATOM 0 HB2 GLU A 47 26.330 -2.137 -16.043 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.347 -1.060 -17.014 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.327 0.434 -15.481 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.090 -0.818 -16.441 1.00 0.00 H new ATOM 787 N ARG A 48 23.269 0.631 -15.529 1.00 0.00 N ATOM 788 CA ARG A 48 21.884 0.900 -15.898 1.00 0.00 C ATOM 789 C ARG A 48 21.700 0.820 -17.411 1.00 0.00 C ATOM 790 O ARG A 48 22.499 1.363 -18.174 1.00 0.00 O ATOM 791 CB ARG A 48 21.459 2.280 -15.394 1.00 0.00 C ATOM 792 CG ARG A 48 21.906 2.573 -13.972 1.00 0.00 C ATOM 793 CD ARG A 48 23.022 3.606 -13.940 1.00 0.00 C ATOM 794 NE ARG A 48 22.503 4.971 -13.902 1.00 0.00 N ATOM 795 CZ ARG A 48 23.276 6.048 -13.819 1.00 0.00 C ATOM 796 NH1 ARG A 48 24.594 5.920 -13.766 1.00 0.00 N ATOM 797 NH2 ARG A 48 22.729 7.257 -13.789 1.00 0.00 N ATOM 0 H ARG A 48 23.863 1.459 -15.487 1.00 0.00 H new ATOM 0 HA ARG A 48 21.255 0.141 -15.432 1.00 0.00 H new ATOM 0 HB2 ARG A 48 21.867 3.042 -16.058 1.00 0.00 H new ATOM 0 HB3 ARG A 48 20.373 2.359 -15.448 1.00 0.00 H new ATOM 0 HG2 ARG A 48 21.058 2.934 -13.390 1.00 0.00 H new ATOM 0 HG3 ARG A 48 22.248 1.652 -13.500 1.00 0.00 H new ATOM 0 HD2 ARG A 48 23.651 3.433 -13.067 1.00 0.00 H new ATOM 0 HD3 ARG A 48 23.655 3.483 -14.819 1.00 0.00 H new ATOM 0 HE ARG A 48 21.493 5.104 -13.941 1.00 0.00 H new ATOM 0 HH11 ARG A 48 25.018 4.992 -13.789 1.00 0.00 H new ATOM 0 HH12 ARG A 48 25.185 6.749 -13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.715 7.359 -13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 48 23.323 8.084 -13.725 1.00 0.00 H new ATOM 811 N ASP A 49 20.642 0.139 -17.837 1.00 0.00 N ATOM 812 CA ASP A 49 20.351 -0.012 -19.258 1.00 0.00 C ATOM 813 C ASP A 49 18.855 -0.199 -19.491 1.00 0.00 C ATOM 814 O ASP A 49 18.253 -1.149 -18.989 1.00 0.00 O ATOM 815 CB ASP A 49 21.122 -1.201 -19.835 1.00 0.00 C ATOM 816 CG ASP A 49 21.266 -1.122 -21.342 1.00 0.00 C ATOM 817 OD1 ASP A 49 21.656 -0.048 -21.845 1.00 0.00 O ATOM 818 OD2 ASP A 49 20.987 -2.134 -22.019 1.00 0.00 O ATOM 0 H ASP A 49 19.971 -0.317 -17.219 1.00 0.00 H new ATOM 0 HA ASP A 49 20.668 0.899 -19.766 1.00 0.00 H new ATOM 0 HB2 ASP A 49 22.112 -1.244 -19.380 1.00 0.00 H new ATOM 0 HB3 ASP A 49 20.609 -2.126 -19.570 1.00 0.00 H new ATOM 823 N ASP A 50 18.261 0.713 -20.252 1.00 0.00 N ATOM 824 CA ASP A 50 16.835 0.648 -20.551 1.00 0.00 C ATOM 825 C ASP A 50 16.013 0.592 -19.267 1.00 0.00 C ATOM 826 O ASP A 50 14.894 0.082 -19.257 1.00 0.00 O ATOM 827 CB ASP A 50 16.529 -0.571 -21.422 1.00 0.00 C ATOM 828 CG ASP A 50 17.010 -0.399 -22.849 1.00 0.00 C ATOM 829 OD1 ASP A 50 16.402 0.405 -23.587 1.00 0.00 O ATOM 830 OD2 ASP A 50 17.994 -1.068 -23.228 1.00 0.00 O ATOM 0 H ASP A 50 18.745 1.506 -20.673 1.00 0.00 H new ATOM 0 HA ASP A 50 16.562 1.551 -21.097 1.00 0.00 H new ATOM 0 HB2 ASP A 50 17.000 -1.452 -20.987 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.454 -0.752 -21.423 1.00 0.00 H new ATOM 835 N GLY A 51 16.578 1.119 -18.185 1.00 0.00 N ATOM 836 CA GLY A 51 15.884 1.117 -16.910 1.00 0.00 C ATOM 837 C GLY A 51 16.241 -0.084 -16.058 1.00 0.00 C ATOM 838 O GLY A 51 16.073 -0.060 -14.838 1.00 0.00 O ATOM 0 H GLY A 51 17.504 1.547 -18.168 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.127 2.030 -16.366 1.00 0.00 H new ATOM 0 HA3 GLY A 51 14.808 1.127 -17.085 1.00 0.00 H new ATOM 842 N ASP A 52 16.732 -1.138 -16.700 1.00 0.00 N ATOM 843 CA ASP A 52 17.112 -2.356 -15.992 1.00 0.00 C ATOM 844 C ASP A 52 18.549 -2.264 -15.487 1.00 0.00 C ATOM 845 O ASP A 52 19.287 -1.346 -15.847 1.00 0.00 O ATOM 846 CB ASP A 52 16.957 -3.572 -16.906 1.00 0.00 C ATOM 847 CG ASP A 52 15.772 -3.444 -17.844 1.00 0.00 C ATOM 848 OD1 ASP A 52 14.648 -3.212 -17.351 1.00 0.00 O ATOM 849 OD2 ASP A 52 15.968 -3.577 -19.070 1.00 0.00 O ATOM 0 H ASP A 52 16.876 -1.174 -17.709 1.00 0.00 H new ATOM 0 HA ASP A 52 16.450 -2.470 -15.134 1.00 0.00 H new ATOM 0 HB2 ASP A 52 17.867 -3.702 -17.491 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.839 -4.468 -16.297 1.00 0.00 H new ATOM 854 N LEU A 53 18.938 -3.220 -14.651 1.00 0.00 N ATOM 855 CA LEU A 53 20.287 -3.247 -14.095 1.00 0.00 C ATOM 856 C LEU A 53 20.954 -4.594 -14.350 1.00 0.00 C ATOM 857 O LEU A 53 20.339 -5.646 -14.170 1.00 0.00 O ATOM 858 CB LEU A 53 20.246 -2.961 -12.593 1.00 0.00 C ATOM 859 CG LEU A 53 21.100 -1.789 -12.109 1.00 0.00 C ATOM 860 CD1 LEU A 53 22.580 -2.112 -12.252 1.00 0.00 C ATOM 861 CD2 LEU A 53 20.753 -0.522 -12.878 1.00 0.00 C ATOM 0 H LEU A 53 18.339 -3.986 -14.343 1.00 0.00 H new ATOM 0 HA LEU A 53 20.873 -2.473 -14.590 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.211 -2.773 -12.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 20.564 -3.859 -12.064 1.00 0.00 H new ATOM 0 HG LEU A 53 20.886 -1.620 -11.054 1.00 0.00 H new ATOM 0 HD11 LEU A 53 23.172 -1.266 -11.903 1.00 0.00 H new ATOM 0 HD12 LEU A 53 22.819 -2.993 -11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 53 22.810 -2.308 -13.299 1.00 0.00 H new ATOM 0 HD21 LEU A 53 21.371 0.302 -12.520 1.00 0.00 H new ATOM 0 HD22 LEU A 53 20.938 -0.679 -13.941 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.701 -0.280 -12.725 1.00 0.00 H new ATOM 873 N ILE A 54 22.215 -4.555 -14.767 1.00 0.00 N ATOM 874 CA ILE A 54 22.966 -5.773 -15.043 1.00 0.00 C ATOM 875 C ILE A 54 23.858 -6.148 -13.864 1.00 0.00 C ATOM 876 O ILE A 54 24.492 -5.286 -13.254 1.00 0.00 O ATOM 877 CB ILE A 54 23.837 -5.624 -16.304 1.00 0.00 C ATOM 878 CG1 ILE A 54 23.061 -4.895 -17.403 1.00 0.00 C ATOM 879 CG2 ILE A 54 24.301 -6.989 -16.792 1.00 0.00 C ATOM 880 CD1 ILE A 54 21.746 -5.555 -17.753 1.00 0.00 C ATOM 0 H ILE A 54 22.738 -3.693 -14.921 1.00 0.00 H new ATOM 0 HA ILE A 54 22.234 -6.564 -15.208 1.00 0.00 H new ATOM 0 HB ILE A 54 24.717 -5.032 -16.052 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.870 -3.870 -17.084 1.00 0.00 H new ATOM 0 HG13 ILE A 54 23.680 -4.840 -18.298 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.916 -6.867 -17.684 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.887 -7.475 -16.011 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.433 -7.604 -17.031 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.250 -4.985 -18.539 1.00 0.00 H new ATOM 0 HD12 ILE A 54 21.930 -6.571 -18.103 1.00 0.00 H new ATOM 0 HD13 ILE A 54 21.108 -5.586 -16.870 1.00 0.00 H new ATOM 892 N ILE A 55 23.904 -7.438 -13.550 1.00 0.00 N ATOM 893 CA ILE A 55 24.721 -7.927 -12.447 1.00 0.00 C ATOM 894 C ILE A 55 25.435 -9.221 -12.822 1.00 0.00 C ATOM 895 O ILE A 55 24.798 -10.223 -13.148 1.00 0.00 O ATOM 896 CB ILE A 55 23.874 -8.170 -11.183 1.00 0.00 C ATOM 897 CG1 ILE A 55 23.014 -6.942 -10.876 1.00 0.00 C ATOM 898 CG2 ILE A 55 24.770 -8.505 -10.001 1.00 0.00 C ATOM 899 CD1 ILE A 55 22.139 -7.108 -9.653 1.00 0.00 C ATOM 0 H ILE A 55 23.385 -8.164 -14.044 1.00 0.00 H new ATOM 0 HA ILE A 55 25.461 -7.154 -12.237 1.00 0.00 H new ATOM 0 HB ILE A 55 23.213 -9.018 -11.364 1.00 0.00 H new ATOM 0 HG12 ILE A 55 23.665 -6.079 -10.733 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.383 -6.726 -11.738 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.157 -8.674 -9.116 1.00 0.00 H new ATOM 0 HG22 ILE A 55 25.343 -9.405 -10.223 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.453 -7.676 -9.816 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.558 -6.200 -9.496 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.463 -7.950 -9.801 1.00 0.00 H new ATOM 0 HD13 ILE A 55 22.765 -7.294 -8.780 1.00 0.00 H new ATOM 911 N THR A 56 26.763 -9.193 -12.774 1.00 0.00 N ATOM 912 CA THR A 56 27.565 -10.363 -13.108 1.00 0.00 C ATOM 913 C THR A 56 28.281 -10.909 -11.878 1.00 0.00 C ATOM 914 O THR A 56 29.097 -10.221 -11.265 1.00 0.00 O ATOM 915 CB THR A 56 28.610 -10.037 -14.192 1.00 0.00 C ATOM 916 OG1 THR A 56 28.092 -9.049 -15.090 1.00 0.00 O ATOM 917 CG2 THR A 56 28.990 -11.288 -14.971 1.00 0.00 C ATOM 0 H THR A 56 27.306 -8.372 -12.507 1.00 0.00 H new ATOM 0 HA THR A 56 26.878 -11.118 -13.490 1.00 0.00 H new ATOM 0 HB THR A 56 29.502 -9.649 -13.701 1.00 0.00 H new ATOM 0 HG1 THR A 56 28.800 -8.411 -15.318 1.00 0.00 H new ATOM 0 HG21 THR A 56 29.729 -11.033 -15.731 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.411 -12.027 -14.289 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.103 -11.701 -15.452 1.00 0.00 H new ATOM 925 N VAL A 57 27.970 -12.151 -11.521 1.00 0.00 N ATOM 926 CA VAL A 57 28.584 -12.791 -10.364 1.00 0.00 C ATOM 927 C VAL A 57 29.125 -14.171 -10.722 1.00 0.00 C ATOM 928 O VAL A 57 28.369 -15.068 -11.096 1.00 0.00 O ATOM 929 CB VAL A 57 27.583 -12.930 -9.201 1.00 0.00 C ATOM 930 CG1 VAL A 57 27.271 -11.568 -8.601 1.00 0.00 C ATOM 931 CG2 VAL A 57 26.312 -13.618 -9.673 1.00 0.00 C ATOM 0 H VAL A 57 27.296 -12.734 -12.017 1.00 0.00 H new ATOM 0 HA VAL A 57 29.408 -12.151 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 57 28.036 -13.547 -8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 57 26.562 -11.685 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.189 -11.117 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 57 26.837 -10.924 -9.366 1.00 0.00 H new ATOM 0 HG21 VAL A 57 25.616 -13.708 -8.839 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.853 -13.029 -10.467 1.00 0.00 H new ATOM 0 HG23 VAL A 57 26.555 -14.611 -10.052 1.00 0.00 H new ATOM 941 N PHE A 58 30.438 -14.334 -10.603 1.00 0.00 N ATOM 942 CA PHE A 58 31.082 -15.606 -10.915 1.00 0.00 C ATOM 943 C PHE A 58 31.803 -16.164 -9.691 1.00 0.00 C ATOM 944 O PHE A 58 32.339 -15.413 -8.876 1.00 0.00 O ATOM 945 CB PHE A 58 32.071 -15.431 -12.069 1.00 0.00 C ATOM 946 CG PHE A 58 32.932 -14.207 -11.941 1.00 0.00 C ATOM 947 CD1 PHE A 58 33.925 -14.139 -10.978 1.00 0.00 C ATOM 948 CD2 PHE A 58 32.746 -13.123 -12.784 1.00 0.00 C ATOM 949 CE1 PHE A 58 34.719 -13.014 -10.858 1.00 0.00 C ATOM 950 CE2 PHE A 58 33.537 -11.995 -12.669 1.00 0.00 C ATOM 951 CZ PHE A 58 34.524 -11.940 -11.704 1.00 0.00 C ATOM 0 H PHE A 58 31.077 -13.602 -10.293 1.00 0.00 H new ATOM 0 HA PHE A 58 30.309 -16.314 -11.213 1.00 0.00 H new ATOM 0 HB2 PHE A 58 32.711 -16.311 -12.125 1.00 0.00 H new ATOM 0 HB3 PHE A 58 31.517 -15.379 -13.007 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.081 -14.975 -10.313 1.00 0.00 H new ATOM 0 HD2 PHE A 58 31.975 -13.160 -13.539 1.00 0.00 H new ATOM 0 HE1 PHE A 58 35.491 -12.975 -10.104 1.00 0.00 H new ATOM 0 HE2 PHE A 58 33.383 -11.157 -13.333 1.00 0.00 H new ATOM 0 HZ PHE A 58 35.142 -11.059 -11.611 1.00 0.00 H new ATOM 961 N TYR A 59 31.811 -17.487 -9.570 1.00 0.00 N ATOM 962 CA TYR A 59 32.463 -18.147 -8.445 1.00 0.00 C ATOM 963 C TYR A 59 33.236 -19.378 -8.910 1.00 0.00 C ATOM 964 O TYR A 59 32.764 -20.138 -9.755 1.00 0.00 O ATOM 965 CB TYR A 59 31.428 -18.549 -7.393 1.00 0.00 C ATOM 966 CG TYR A 59 30.403 -17.474 -7.111 1.00 0.00 C ATOM 967 CD1 TYR A 59 29.271 -17.339 -7.906 1.00 0.00 C ATOM 968 CD2 TYR A 59 30.565 -16.593 -6.049 1.00 0.00 C ATOM 969 CE1 TYR A 59 28.332 -16.358 -7.652 1.00 0.00 C ATOM 970 CE2 TYR A 59 29.631 -15.610 -5.787 1.00 0.00 C ATOM 971 CZ TYR A 59 28.516 -15.496 -6.592 1.00 0.00 C ATOM 972 OH TYR A 59 27.583 -14.518 -6.335 1.00 0.00 O ATOM 0 H TYR A 59 31.374 -18.123 -10.237 1.00 0.00 H new ATOM 0 HA TYR A 59 33.167 -17.443 -8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 59 30.914 -19.451 -7.727 1.00 0.00 H new ATOM 0 HB3 TYR A 59 31.943 -18.800 -6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 59 29.123 -18.013 -8.737 1.00 0.00 H new ATOM 0 HD2 TYR A 59 31.437 -16.678 -5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 59 27.458 -16.267 -8.280 1.00 0.00 H new ATOM 0 HE2 TYR A 59 29.772 -14.934 -4.957 1.00 0.00 H new ATOM 0 HH TYR A 59 27.862 -13.997 -5.553 1.00 0.00 H new ATOM 982 N GLU A 60 34.427 -19.567 -8.349 1.00 0.00 N ATOM 983 CA GLU A 60 35.266 -20.704 -8.706 1.00 0.00 C ATOM 984 C GLU A 60 35.016 -21.881 -7.766 1.00 0.00 C ATOM 985 O GLU A 60 34.157 -21.814 -6.887 1.00 0.00 O ATOM 986 CB GLU A 60 36.744 -20.309 -8.664 1.00 0.00 C ATOM 987 CG GLU A 60 37.293 -20.154 -7.256 1.00 0.00 C ATOM 988 CD GLU A 60 38.177 -18.931 -7.106 1.00 0.00 C ATOM 989 OE1 GLU A 60 38.990 -18.672 -8.018 1.00 0.00 O ATOM 990 OE2 GLU A 60 38.056 -18.233 -6.078 1.00 0.00 O ATOM 0 H GLU A 60 34.831 -18.948 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 60 35.008 -21.009 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 60 37.328 -21.063 -9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 60 36.876 -19.370 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 60 36.464 -20.087 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 60 37.863 -21.045 -6.992 1.00 0.00 H new ATOM 997 N ARG A 61 35.772 -22.956 -7.960 1.00 0.00 N ATOM 998 CA ARG A 61 35.632 -24.148 -7.132 1.00 0.00 C ATOM 999 C ARG A 61 35.546 -23.776 -5.654 1.00 0.00 C ATOM 1000 O ARG A 61 34.850 -24.431 -4.880 1.00 0.00 O ATOM 1001 CB ARG A 61 36.810 -25.097 -7.363 1.00 0.00 C ATOM 1002 CG ARG A 61 36.504 -26.220 -8.340 1.00 0.00 C ATOM 1003 CD ARG A 61 36.846 -25.824 -9.768 1.00 0.00 C ATOM 1004 NE ARG A 61 36.467 -26.857 -10.728 1.00 0.00 N ATOM 1005 CZ ARG A 61 36.391 -26.650 -12.038 1.00 0.00 C ATOM 1006 NH1 ARG A 61 36.668 -25.455 -12.542 1.00 0.00 N ATOM 1007 NH2 ARG A 61 36.040 -27.641 -12.848 1.00 0.00 N ATOM 0 H ARG A 61 36.488 -23.026 -8.683 1.00 0.00 H new ATOM 0 HA ARG A 61 34.708 -24.651 -7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 61 37.660 -24.524 -7.735 1.00 0.00 H new ATOM 0 HB3 ARG A 61 37.110 -25.529 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 61 37.070 -27.110 -8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 61 35.448 -26.481 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 61 36.337 -24.893 -10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 61 37.916 -25.633 -9.845 1.00 0.00 H new ATOM 0 HE ARG A 61 36.249 -27.788 -10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 61 36.940 -24.691 -11.923 1.00 0.00 H new ATOM 0 HH12 ARG A 61 36.609 -25.300 -13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 61 35.828 -28.562 -12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 61 35.982 -27.481 -13.854 1.00 0.00 H new ATOM 1021 N GLU A 62 36.259 -22.721 -5.272 1.00 0.00 N ATOM 1022 CA GLU A 62 36.264 -22.264 -3.888 1.00 0.00 C ATOM 1023 C GLU A 62 34.841 -22.060 -3.377 1.00 0.00 C ATOM 1024 O GLU A 62 34.539 -22.343 -2.217 1.00 0.00 O ATOM 1025 CB GLU A 62 37.056 -20.961 -3.760 1.00 0.00 C ATOM 1026 CG GLU A 62 38.549 -21.131 -3.982 1.00 0.00 C ATOM 1027 CD GLU A 62 39.225 -21.883 -2.852 1.00 0.00 C ATOM 1028 OE1 GLU A 62 38.710 -21.831 -1.715 1.00 0.00 O ATOM 1029 OE2 GLU A 62 40.267 -22.522 -3.103 1.00 0.00 O ATOM 0 H GLU A 62 36.840 -22.167 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 62 36.743 -23.032 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 62 36.670 -20.239 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 62 36.890 -20.541 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 62 38.715 -21.664 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 62 39.011 -20.149 -4.088 1.00 0.00 H new ATOM 1036 N TYR A 63 33.971 -21.566 -4.251 1.00 0.00 N ATOM 1037 CA TYR A 63 32.580 -21.321 -3.889 1.00 0.00 C ATOM 1038 C TYR A 63 31.636 -22.138 -4.765 1.00 0.00 C ATOM 1039 O TYR A 63 30.428 -21.904 -4.784 1.00 0.00 O ATOM 1040 CB TYR A 63 32.253 -19.832 -4.017 1.00 0.00 C ATOM 1041 CG TYR A 63 32.238 -19.099 -2.695 1.00 0.00 C ATOM 1042 CD1 TYR A 63 31.083 -19.037 -1.925 1.00 0.00 C ATOM 1043 CD2 TYR A 63 33.379 -18.468 -2.216 1.00 0.00 C ATOM 1044 CE1 TYR A 63 31.065 -18.368 -0.717 1.00 0.00 C ATOM 1045 CE2 TYR A 63 33.371 -17.797 -1.008 1.00 0.00 C ATOM 1046 CZ TYR A 63 32.212 -17.750 -0.262 1.00 0.00 C ATOM 1047 OH TYR A 63 32.198 -17.083 0.941 1.00 0.00 O ATOM 0 H TYR A 63 34.204 -21.327 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 63 32.441 -21.629 -2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 63 32.985 -19.363 -4.674 1.00 0.00 H new ATOM 0 HB3 TYR A 63 31.279 -19.722 -4.495 1.00 0.00 H new ATOM 0 HD1 TYR A 63 30.184 -19.520 -2.277 1.00 0.00 H new ATOM 0 HD2 TYR A 63 34.288 -18.502 -2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 63 30.158 -18.329 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 63 34.267 -17.312 -0.650 1.00 0.00 H new ATOM 0 HH TYR A 63 33.085 -16.705 1.116 1.00 0.00 H new ATOM 1057 N PHE A 64 32.197 -23.099 -5.491 1.00 0.00 N ATOM 1058 CA PHE A 64 31.408 -23.953 -6.371 1.00 0.00 C ATOM 1059 C PHE A 64 30.833 -23.150 -7.535 1.00 0.00 C ATOM 1060 O PHE A 64 29.851 -22.422 -7.395 1.00 0.00 O ATOM 1061 CB PHE A 64 30.275 -24.619 -5.588 1.00 0.00 C ATOM 1062 CG PHE A 64 30.334 -26.120 -5.608 1.00 0.00 C ATOM 1063 CD1 PHE A 64 31.177 -26.804 -4.747 1.00 0.00 C ATOM 1064 CD2 PHE A 64 29.548 -26.846 -6.487 1.00 0.00 C ATOM 1065 CE1 PHE A 64 31.234 -28.185 -4.762 1.00 0.00 C ATOM 1066 CE2 PHE A 64 29.600 -28.227 -6.507 1.00 0.00 C ATOM 1067 CZ PHE A 64 30.445 -28.897 -5.644 1.00 0.00 C ATOM 0 H PHE A 64 33.196 -23.306 -5.487 1.00 0.00 H new ATOM 0 HA PHE A 64 32.065 -24.724 -6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 64 30.308 -24.276 -4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 64 29.320 -24.295 -6.001 1.00 0.00 H new ATOM 0 HD1 PHE A 64 31.797 -26.252 -4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 64 28.887 -26.327 -7.165 1.00 0.00 H new ATOM 0 HE1 PHE A 64 31.895 -28.706 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 64 28.981 -28.781 -7.197 1.00 0.00 H new ATOM 0 HZ PHE A 64 30.489 -29.976 -5.659 1.00 0.00 H new ATOM 1077 N PRO A 65 31.461 -23.285 -8.713 1.00 0.00 N ATOM 1078 CA PRO A 65 31.030 -22.581 -9.924 1.00 0.00 C ATOM 1079 C PRO A 65 29.703 -23.107 -10.460 1.00 0.00 C ATOM 1080 O PRO A 65 29.330 -24.253 -10.207 1.00 0.00 O ATOM 1081 CB PRO A 65 32.159 -22.865 -10.919 1.00 0.00 C ATOM 1082 CG PRO A 65 32.764 -24.143 -10.451 1.00 0.00 C ATOM 1083 CD PRO A 65 32.638 -24.137 -8.953 1.00 0.00 C ATOM 0 HA PRO A 65 30.861 -21.520 -9.740 1.00 0.00 H new ATOM 0 HB2 PRO A 65 31.777 -22.957 -11.936 1.00 0.00 H new ATOM 0 HB3 PRO A 65 32.893 -22.059 -10.926 1.00 0.00 H new ATOM 0 HG2 PRO A 65 32.247 -25.000 -10.883 1.00 0.00 H new ATOM 0 HG3 PRO A 65 33.808 -24.214 -10.754 1.00 0.00 H new ATOM 0 HD2 PRO A 65 32.493 -25.143 -8.558 1.00 0.00 H new ATOM 0 HD3 PRO A 65 33.531 -23.732 -8.476 1.00 0.00 H new ATOM 1091 N PHE A 66 28.993 -22.263 -11.202 1.00 0.00 N ATOM 1092 CA PHE A 66 27.707 -22.643 -11.773 1.00 0.00 C ATOM 1093 C PHE A 66 27.896 -23.418 -13.073 1.00 0.00 C ATOM 1094 O PHE A 66 28.185 -22.838 -14.119 1.00 0.00 O ATOM 1095 CB PHE A 66 26.850 -21.401 -12.027 1.00 0.00 C ATOM 1096 CG PHE A 66 26.692 -20.525 -10.817 1.00 0.00 C ATOM 1097 CD1 PHE A 66 26.385 -21.074 -9.583 1.00 0.00 C ATOM 1098 CD2 PHE A 66 26.850 -19.151 -10.915 1.00 0.00 C ATOM 1099 CE1 PHE A 66 26.238 -20.270 -8.468 1.00 0.00 C ATOM 1100 CE2 PHE A 66 26.705 -18.343 -9.803 1.00 0.00 C ATOM 1101 CZ PHE A 66 26.398 -18.903 -8.578 1.00 0.00 C ATOM 0 H PHE A 66 29.287 -21.311 -11.422 1.00 0.00 H new ATOM 0 HA PHE A 66 27.197 -23.288 -11.057 1.00 0.00 H new ATOM 0 HB2 PHE A 66 27.298 -20.818 -12.832 1.00 0.00 H new ATOM 0 HB3 PHE A 66 25.864 -21.714 -12.371 1.00 0.00 H new ATOM 0 HD1 PHE A 66 26.259 -22.143 -9.491 1.00 0.00 H new ATOM 0 HD2 PHE A 66 27.089 -18.707 -11.870 1.00 0.00 H new ATOM 0 HE1 PHE A 66 25.998 -20.711 -7.512 1.00 0.00 H new ATOM 0 HE2 PHE A 66 26.832 -17.274 -9.892 1.00 0.00 H new ATOM 0 HZ PHE A 66 26.283 -18.273 -7.708 1.00 0.00 H new ATOM 1111 N GLY A 67 27.732 -24.736 -12.999 1.00 0.00 N ATOM 1112 CA GLY A 67 27.890 -25.570 -14.176 1.00 0.00 C ATOM 1113 C GLY A 67 27.503 -27.013 -13.920 1.00 0.00 C ATOM 1114 O GLY A 67 28.351 -27.841 -13.586 1.00 0.00 O ATOM 0 H GLY A 67 27.493 -25.240 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 67 27.278 -25.171 -14.985 1.00 0.00 H new ATOM 0 HA3 GLY A 67 28.927 -25.529 -14.510 1.00 0.00 H new ATOM 1118 N SER A 68 26.218 -27.316 -14.075 1.00 0.00 N ATOM 1119 CA SER A 68 25.719 -28.668 -13.853 1.00 0.00 C ATOM 1120 C SER A 68 24.480 -28.936 -14.702 1.00 0.00 C ATOM 1121 O SER A 68 23.548 -29.608 -14.262 1.00 0.00 O ATOM 1122 CB SER A 68 25.393 -28.877 -12.373 1.00 0.00 C ATOM 1123 OG SER A 68 25.273 -30.256 -12.067 1.00 0.00 O ATOM 0 H SER A 68 25.504 -26.643 -14.353 1.00 0.00 H new ATOM 0 HA SER A 68 26.499 -29.370 -14.148 1.00 0.00 H new ATOM 0 HB2 SER A 68 26.175 -28.432 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 68 24.463 -28.364 -12.126 1.00 0.00 H new ATOM 0 HG SER A 68 24.603 -30.664 -12.654 1.00 0.00 H new ATOM 1129 N GLU A 69 24.479 -28.405 -15.921 1.00 0.00 N ATOM 1130 CA GLU A 69 23.355 -28.586 -16.831 1.00 0.00 C ATOM 1131 C GLU A 69 23.222 -30.048 -17.248 1.00 0.00 C ATOM 1132 O GLU A 69 22.146 -30.497 -17.641 1.00 0.00 O ATOM 1133 CB GLU A 69 23.526 -27.705 -18.070 1.00 0.00 C ATOM 1134 CG GLU A 69 22.403 -27.854 -19.083 1.00 0.00 C ATOM 1135 CD GLU A 69 22.879 -28.435 -20.400 1.00 0.00 C ATOM 1136 OE1 GLU A 69 23.083 -29.665 -20.468 1.00 0.00 O ATOM 1137 OE2 GLU A 69 23.047 -27.659 -21.364 1.00 0.00 O ATOM 0 H GLU A 69 25.244 -27.847 -16.300 1.00 0.00 H new ATOM 0 HA GLU A 69 22.446 -28.291 -16.307 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.587 -26.662 -17.758 1.00 0.00 H new ATOM 0 HB3 GLU A 69 24.473 -27.949 -18.551 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.626 -28.495 -18.667 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.949 -26.879 -19.263 1.00 0.00 H new ATOM 1144 N GLU A 70 24.325 -30.785 -17.160 1.00 0.00 N ATOM 1145 CA GLU A 70 24.332 -32.196 -17.529 1.00 0.00 C ATOM 1146 C GLU A 70 23.269 -32.967 -16.753 1.00 0.00 C ATOM 1147 O GLU A 70 22.798 -34.014 -17.197 1.00 0.00 O ATOM 1148 CB GLU A 70 25.711 -32.807 -17.271 1.00 0.00 C ATOM 1149 CG GLU A 70 26.833 -32.121 -18.033 1.00 0.00 C ATOM 1150 CD GLU A 70 27.488 -31.012 -17.234 1.00 0.00 C ATOM 1151 OE1 GLU A 70 27.583 -31.149 -15.996 1.00 0.00 O ATOM 1152 OE2 GLU A 70 27.906 -30.007 -17.846 1.00 0.00 O ATOM 0 H GLU A 70 25.224 -30.429 -16.837 1.00 0.00 H new ATOM 0 HA GLU A 70 24.104 -32.268 -18.592 1.00 0.00 H new ATOM 0 HB2 GLU A 70 25.926 -32.760 -16.204 1.00 0.00 H new ATOM 0 HB3 GLU A 70 25.689 -33.862 -17.545 1.00 0.00 H new ATOM 0 HG2 GLU A 70 27.586 -32.860 -18.307 1.00 0.00 H new ATOM 0 HG3 GLU A 70 26.438 -31.710 -18.962 1.00 0.00 H new ATOM 1159 N SER A 71 22.896 -32.442 -15.590 1.00 0.00 N ATOM 1160 CA SER A 71 21.892 -33.082 -14.749 1.00 0.00 C ATOM 1161 C SER A 71 20.517 -33.027 -15.407 1.00 0.00 C ATOM 1162 O SER A 71 19.889 -34.058 -15.648 1.00 0.00 O ATOM 1163 CB SER A 71 21.841 -32.408 -13.376 1.00 0.00 C ATOM 1164 OG SER A 71 21.007 -33.128 -12.485 1.00 0.00 O ATOM 0 H SER A 71 23.274 -31.575 -15.209 1.00 0.00 H new ATOM 0 HA SER A 71 22.173 -34.127 -14.622 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.847 -32.341 -12.963 1.00 0.00 H new ATOM 0 HB3 SER A 71 21.471 -31.388 -13.482 1.00 0.00 H new ATOM 0 HG SER A 71 20.993 -32.678 -11.615 1.00 0.00 H new ATOM 1170 N LYS A 72 20.054 -31.815 -15.695 1.00 0.00 N ATOM 1171 CA LYS A 72 18.754 -31.622 -16.327 1.00 0.00 C ATOM 1172 C LYS A 72 18.796 -32.032 -17.795 1.00 0.00 C ATOM 1173 O LYS A 72 17.773 -32.384 -18.382 1.00 0.00 O ATOM 1174 CB LYS A 72 18.318 -30.161 -16.207 1.00 0.00 C ATOM 1175 CG LYS A 72 16.826 -29.988 -15.977 1.00 0.00 C ATOM 1176 CD LYS A 72 16.483 -28.558 -15.594 1.00 0.00 C ATOM 1177 CE LYS A 72 16.117 -28.448 -14.122 1.00 0.00 C ATOM 1178 NZ LYS A 72 16.855 -27.343 -13.448 1.00 0.00 N ATOM 0 H LYS A 72 20.560 -30.951 -15.501 1.00 0.00 H new ATOM 0 HA LYS A 72 18.031 -32.254 -15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.860 -29.695 -15.384 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.601 -29.630 -17.116 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.283 -30.264 -16.881 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.497 -30.666 -15.189 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.332 -27.909 -15.808 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.651 -28.206 -16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.044 -28.280 -14.026 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.338 -29.391 -13.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.630 -27.344 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.878 -27.480 -13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.573 -26.433 -13.865 1.00 0.00 H new ATOM 1192 N VAL A 73 19.987 -31.986 -18.384 1.00 0.00 N ATOM 1193 CA VAL A 73 20.163 -32.355 -19.784 1.00 0.00 C ATOM 1194 C VAL A 73 19.461 -31.365 -20.706 1.00 0.00 C ATOM 1195 O VAL A 73 18.927 -31.742 -21.749 1.00 0.00 O ATOM 1196 CB VAL A 73 19.624 -33.771 -20.063 1.00 0.00 C ATOM 1197 CG1 VAL A 73 20.172 -34.302 -21.379 1.00 0.00 C ATOM 1198 CG2 VAL A 73 19.968 -34.708 -18.915 1.00 0.00 C ATOM 0 H VAL A 73 20.844 -31.697 -17.913 1.00 0.00 H new ATOM 0 HA VAL A 73 21.234 -32.336 -19.984 1.00 0.00 H new ATOM 0 HB VAL A 73 18.538 -33.718 -20.145 1.00 0.00 H new ATOM 0 HG11 VAL A 73 19.780 -35.303 -21.559 1.00 0.00 H new ATOM 0 HG12 VAL A 73 19.869 -33.642 -22.192 1.00 0.00 H new ATOM 0 HG13 VAL A 73 21.260 -34.342 -21.330 1.00 0.00 H new ATOM 0 HG21 VAL A 73 19.580 -35.704 -19.129 1.00 0.00 H new ATOM 0 HG22 VAL A 73 21.051 -34.758 -18.798 1.00 0.00 H new ATOM 0 HG23 VAL A 73 19.521 -34.334 -17.994 1.00 0.00 H new ATOM 1208 N LYS A 74 19.467 -30.095 -20.315 1.00 0.00 N ATOM 1209 CA LYS A 74 18.833 -29.047 -21.106 1.00 0.00 C ATOM 1210 C LYS A 74 19.243 -27.665 -20.608 1.00 0.00 C ATOM 1211 O LYS A 74 19.558 -27.488 -19.431 1.00 0.00 O ATOM 1212 CB LYS A 74 17.310 -29.190 -21.051 1.00 0.00 C ATOM 1213 CG LYS A 74 16.724 -29.920 -22.247 1.00 0.00 C ATOM 1214 CD LYS A 74 15.284 -29.507 -22.503 1.00 0.00 C ATOM 1215 CE LYS A 74 14.379 -29.896 -21.344 1.00 0.00 C ATOM 1216 NZ LYS A 74 14.255 -31.373 -21.209 1.00 0.00 N ATOM 0 H LYS A 74 19.904 -29.767 -19.454 1.00 0.00 H new ATOM 0 HA LYS A 74 19.165 -29.154 -22.139 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.036 -29.723 -20.141 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.862 -28.198 -20.986 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.326 -29.712 -23.132 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.770 -30.996 -22.076 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.235 -28.429 -22.658 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.927 -29.977 -23.419 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.775 -29.479 -20.418 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.391 -29.461 -21.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.493 -31.597 -20.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.033 -31.789 -22.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.152 -31.766 -20.859 1.00 0.00 H new ATOM 1230 N MET A 75 19.234 -26.689 -21.510 1.00 0.00 N ATOM 1231 CA MET A 75 19.603 -25.323 -21.160 1.00 0.00 C ATOM 1232 C MET A 75 18.774 -24.821 -19.982 1.00 0.00 C ATOM 1233 O MET A 75 19.210 -23.949 -19.231 1.00 0.00 O ATOM 1234 CB MET A 75 19.414 -24.397 -22.363 1.00 0.00 C ATOM 1235 CG MET A 75 20.360 -24.696 -23.515 1.00 0.00 C ATOM 1236 SD MET A 75 20.636 -23.266 -24.576 1.00 0.00 S ATOM 1237 CE MET A 75 19.562 -23.655 -25.956 1.00 0.00 C ATOM 0 H MET A 75 18.975 -26.819 -22.488 1.00 0.00 H new ATOM 0 HA MET A 75 20.654 -25.320 -20.870 1.00 0.00 H new ATOM 0 HB2 MET A 75 18.386 -24.480 -22.717 1.00 0.00 H new ATOM 0 HB3 MET A 75 19.559 -23.365 -22.043 1.00 0.00 H new ATOM 0 HG2 MET A 75 21.315 -25.037 -23.116 1.00 0.00 H new ATOM 0 HG3 MET A 75 19.953 -25.513 -24.111 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.623 -22.861 -26.700 1.00 0.00 H new ATOM 0 HE2 MET A 75 19.874 -24.598 -26.406 1.00 0.00 H new ATOM 0 HE3 MET A 75 18.534 -23.744 -25.604 1.00 0.00 H new ATOM 1247 N ALA A 76 17.576 -25.376 -19.827 1.00 0.00 N ATOM 1248 CA ALA A 76 16.688 -24.985 -18.740 1.00 0.00 C ATOM 1249 C ALA A 76 17.410 -25.030 -17.398 1.00 0.00 C ATOM 1250 O ALA A 76 17.087 -24.272 -16.483 1.00 0.00 O ATOM 1251 CB ALA A 76 15.461 -25.885 -18.712 1.00 0.00 C ATOM 0 H ALA A 76 17.199 -26.098 -20.441 1.00 0.00 H new ATOM 0 HA ALA A 76 16.368 -23.958 -18.916 1.00 0.00 H new ATOM 0 HB1 ALA A 76 14.806 -25.582 -17.895 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.925 -25.799 -19.657 1.00 0.00 H new ATOM 0 HB3 ALA A 76 15.772 -26.919 -18.563 1.00 0.00 H new ATOM 1257 N ASP A 77 18.387 -25.923 -17.287 1.00 0.00 N ATOM 1258 CA ASP A 77 19.156 -26.066 -16.055 1.00 0.00 C ATOM 1259 C ASP A 77 19.959 -24.802 -15.766 1.00 0.00 C ATOM 1260 O ASP A 77 20.096 -24.391 -14.614 1.00 0.00 O ATOM 1261 CB ASP A 77 20.093 -27.271 -16.152 1.00 0.00 C ATOM 1262 CG ASP A 77 20.399 -27.876 -14.796 1.00 0.00 C ATOM 1263 OD1 ASP A 77 20.107 -27.220 -13.774 1.00 0.00 O ATOM 1264 OD2 ASP A 77 20.932 -29.005 -14.756 1.00 0.00 O ATOM 0 H ASP A 77 18.666 -26.559 -18.034 1.00 0.00 H new ATOM 0 HA ASP A 77 18.456 -26.225 -15.234 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.640 -28.029 -16.791 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.024 -26.966 -16.629 1.00 0.00 H new ATOM 1269 N PHE A 78 20.490 -24.191 -16.820 1.00 0.00 N ATOM 1270 CA PHE A 78 21.282 -22.974 -16.679 1.00 0.00 C ATOM 1271 C PHE A 78 20.416 -21.814 -16.197 1.00 0.00 C ATOM 1272 O PHE A 78 20.748 -21.141 -15.221 1.00 0.00 O ATOM 1273 CB PHE A 78 21.943 -22.614 -18.011 1.00 0.00 C ATOM 1274 CG PHE A 78 23.320 -23.191 -18.172 1.00 0.00 C ATOM 1275 CD1 PHE A 78 24.311 -22.925 -17.241 1.00 0.00 C ATOM 1276 CD2 PHE A 78 23.624 -23.999 -19.256 1.00 0.00 C ATOM 1277 CE1 PHE A 78 25.579 -23.455 -17.386 1.00 0.00 C ATOM 1278 CE2 PHE A 78 24.891 -24.532 -19.407 1.00 0.00 C ATOM 1279 CZ PHE A 78 25.870 -24.259 -18.471 1.00 0.00 C ATOM 0 H PHE A 78 20.386 -24.518 -17.781 1.00 0.00 H new ATOM 0 HA PHE A 78 22.057 -23.158 -15.935 1.00 0.00 H new ATOM 0 HB2 PHE A 78 21.312 -22.966 -18.827 1.00 0.00 H new ATOM 0 HB3 PHE A 78 22.000 -21.529 -18.098 1.00 0.00 H new ATOM 0 HD1 PHE A 78 24.090 -22.296 -16.392 1.00 0.00 H new ATOM 0 HD2 PHE A 78 22.863 -24.215 -19.991 1.00 0.00 H new ATOM 0 HE1 PHE A 78 26.342 -23.241 -16.652 1.00 0.00 H new ATOM 0 HE2 PHE A 78 25.115 -25.161 -20.256 1.00 0.00 H new ATOM 0 HZ PHE A 78 26.861 -24.673 -18.587 1.00 0.00 H new ATOM 1289 N ILE A 79 19.305 -21.586 -16.890 1.00 0.00 N ATOM 1290 CA ILE A 79 18.391 -20.508 -16.533 1.00 0.00 C ATOM 1291 C ILE A 79 17.721 -20.777 -15.190 1.00 0.00 C ATOM 1292 O ILE A 79 17.478 -19.856 -14.411 1.00 0.00 O ATOM 1293 CB ILE A 79 17.304 -20.313 -17.607 1.00 0.00 C ATOM 1294 CG1 ILE A 79 16.230 -19.345 -17.106 1.00 0.00 C ATOM 1295 CG2 ILE A 79 16.685 -21.651 -17.982 1.00 0.00 C ATOM 1296 CD1 ILE A 79 15.014 -20.037 -16.530 1.00 0.00 C ATOM 0 H ILE A 79 19.016 -22.133 -17.701 1.00 0.00 H new ATOM 0 HA ILE A 79 18.988 -19.599 -16.462 1.00 0.00 H new ATOM 0 HB ILE A 79 17.765 -19.886 -18.497 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.664 -18.696 -16.345 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.917 -18.704 -17.930 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.919 -21.497 -18.742 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.458 -22.312 -18.375 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.234 -22.104 -17.099 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.295 -19.290 -16.195 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.556 -20.664 -17.295 1.00 0.00 H new ATOM 0 HD13 ILE A 79 15.314 -20.656 -15.685 1.00 0.00 H new ATOM 1308 N ALA A 80 17.427 -22.046 -14.925 1.00 0.00 N ATOM 1309 CA ALA A 80 16.789 -22.437 -13.675 1.00 0.00 C ATOM 1310 C ALA A 80 17.759 -22.320 -12.504 1.00 0.00 C ATOM 1311 O ALA A 80 17.430 -21.740 -11.469 1.00 0.00 O ATOM 1312 CB ALA A 80 16.251 -23.856 -13.778 1.00 0.00 C ATOM 0 H ALA A 80 17.621 -22.820 -15.560 1.00 0.00 H new ATOM 0 HA ALA A 80 15.956 -21.758 -13.492 1.00 0.00 H new ATOM 0 HB1 ALA A 80 15.777 -24.135 -12.837 1.00 0.00 H new ATOM 0 HB2 ALA A 80 15.518 -23.910 -14.583 1.00 0.00 H new ATOM 0 HB3 ALA A 80 17.072 -24.542 -13.988 1.00 0.00 H new ATOM 1318 N ARG A 81 18.954 -22.875 -12.674 1.00 0.00 N ATOM 1319 CA ARG A 81 19.971 -22.835 -11.630 1.00 0.00 C ATOM 1320 C ARG A 81 20.398 -21.399 -11.342 1.00 0.00 C ATOM 1321 O ARG A 81 20.694 -21.046 -10.201 1.00 0.00 O ATOM 1322 CB ARG A 81 21.187 -23.667 -12.040 1.00 0.00 C ATOM 1323 CG ARG A 81 22.320 -23.630 -11.028 1.00 0.00 C ATOM 1324 CD ARG A 81 23.378 -24.678 -11.337 1.00 0.00 C ATOM 1325 NE ARG A 81 22.888 -26.034 -11.110 1.00 0.00 N ATOM 1326 CZ ARG A 81 22.819 -26.600 -9.910 1.00 0.00 C ATOM 1327 NH1 ARG A 81 23.208 -25.929 -8.834 1.00 0.00 N ATOM 1328 NH2 ARG A 81 22.361 -27.839 -9.784 1.00 0.00 N ATOM 0 H ARG A 81 19.242 -23.358 -13.525 1.00 0.00 H new ATOM 0 HA ARG A 81 19.540 -23.257 -10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 81 20.876 -24.701 -12.187 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.557 -23.306 -13.000 1.00 0.00 H new ATOM 0 HG2 ARG A 81 22.776 -22.640 -11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 81 21.921 -23.798 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 81 23.696 -24.577 -12.375 1.00 0.00 H new ATOM 0 HD3 ARG A 81 24.256 -24.501 -10.716 1.00 0.00 H new ATOM 0 HE ARG A 81 22.582 -26.577 -11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 81 23.561 -24.977 -8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 81 23.154 -26.365 -7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 81 22.061 -28.358 -10.609 1.00 0.00 H new ATOM 0 HH22 ARG A 81 22.309 -28.272 -8.862 1.00 0.00 H new ATOM 1342 N GLU A 82 20.427 -20.575 -12.385 1.00 0.00 N ATOM 1343 CA GLU A 82 20.819 -19.178 -12.244 1.00 0.00 C ATOM 1344 C GLU A 82 19.693 -18.357 -11.621 1.00 0.00 C ATOM 1345 O GLU A 82 19.905 -17.633 -10.649 1.00 0.00 O ATOM 1346 CB GLU A 82 21.200 -18.591 -13.605 1.00 0.00 C ATOM 1347 CG GLU A 82 22.501 -19.143 -14.162 1.00 0.00 C ATOM 1348 CD GLU A 82 23.721 -18.604 -13.440 1.00 0.00 C ATOM 1349 OE1 GLU A 82 23.563 -18.086 -12.314 1.00 0.00 O ATOM 1350 OE2 GLU A 82 24.832 -18.700 -14.000 1.00 0.00 O ATOM 0 H GLU A 82 20.184 -20.851 -13.336 1.00 0.00 H new ATOM 0 HA GLU A 82 21.685 -19.136 -11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 82 20.397 -18.790 -14.315 1.00 0.00 H new ATOM 0 HB3 GLU A 82 21.284 -17.508 -13.514 1.00 0.00 H new ATOM 0 HG2 GLU A 82 22.491 -20.230 -14.088 1.00 0.00 H new ATOM 0 HG3 GLU A 82 22.572 -18.896 -15.221 1.00 0.00 H new ATOM 1357 N GLU A 83 18.498 -18.477 -12.189 1.00 0.00 N ATOM 1358 CA GLU A 83 17.339 -17.745 -11.691 1.00 0.00 C ATOM 1359 C GLU A 83 17.137 -17.997 -10.199 1.00 0.00 C ATOM 1360 O GLU A 83 17.049 -17.058 -9.407 1.00 0.00 O ATOM 1361 CB GLU A 83 16.081 -18.150 -12.463 1.00 0.00 C ATOM 1362 CG GLU A 83 15.888 -17.380 -13.758 1.00 0.00 C ATOM 1363 CD GLU A 83 14.482 -17.511 -14.310 1.00 0.00 C ATOM 1364 OE1 GLU A 83 13.640 -18.148 -13.643 1.00 0.00 O ATOM 1365 OE2 GLU A 83 14.223 -16.976 -15.409 1.00 0.00 O ATOM 0 H GLU A 83 18.307 -19.074 -12.994 1.00 0.00 H new ATOM 0 HA GLU A 83 17.521 -16.681 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 83 16.130 -19.216 -12.687 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.209 -17.998 -11.826 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.110 -16.327 -13.587 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.601 -17.740 -14.500 1.00 0.00 H new ATOM 1372 N ILE A 84 17.063 -19.270 -9.825 1.00 0.00 N ATOM 1373 CA ILE A 84 16.872 -19.645 -8.430 1.00 0.00 C ATOM 1374 C ILE A 84 18.042 -19.179 -7.570 1.00 0.00 C ATOM 1375 O ILE A 84 17.873 -18.871 -6.390 1.00 0.00 O ATOM 1376 CB ILE A 84 16.710 -21.169 -8.274 1.00 0.00 C ATOM 1377 CG1 ILE A 84 18.023 -21.880 -8.606 1.00 0.00 C ATOM 1378 CG2 ILE A 84 15.586 -21.676 -9.166 1.00 0.00 C ATOM 1379 CD1 ILE A 84 18.829 -22.262 -7.384 1.00 0.00 C ATOM 0 H ILE A 84 17.132 -20.058 -10.468 1.00 0.00 H new ATOM 0 HA ILE A 84 15.959 -19.154 -8.094 1.00 0.00 H new ATOM 0 HB ILE A 84 16.452 -21.388 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.804 -22.779 -9.183 1.00 0.00 H new ATOM 0 HG13 ILE A 84 18.627 -21.232 -9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.484 -22.754 -9.045 1.00 0.00 H new ATOM 0 HG22 ILE A 84 14.652 -21.189 -8.886 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.816 -21.448 -10.207 1.00 0.00 H new ATOM 0 HD11 ILE A 84 19.746 -22.762 -7.695 1.00 0.00 H new ATOM 0 HD12 ILE A 84 19.079 -21.365 -6.818 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.243 -22.935 -6.758 1.00 0.00 H new ATOM 1391 N GLU A 85 19.227 -19.128 -8.169 1.00 0.00 N ATOM 1392 CA GLU A 85 20.425 -18.698 -7.458 1.00 0.00 C ATOM 1393 C GLU A 85 20.259 -17.279 -6.921 1.00 0.00 C ATOM 1394 O GLU A 85 20.518 -17.014 -5.748 1.00 0.00 O ATOM 1395 CB GLU A 85 21.645 -18.768 -8.379 1.00 0.00 C ATOM 1396 CG GLU A 85 22.659 -19.821 -7.966 1.00 0.00 C ATOM 1397 CD GLU A 85 23.217 -19.582 -6.577 1.00 0.00 C ATOM 1398 OE1 GLU A 85 23.623 -18.437 -6.289 1.00 0.00 O ATOM 1399 OE2 GLU A 85 23.246 -20.541 -5.777 1.00 0.00 O ATOM 0 H GLU A 85 19.383 -19.379 -9.145 1.00 0.00 H new ATOM 0 HA GLU A 85 20.577 -19.371 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 85 21.311 -18.976 -9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 85 22.133 -17.793 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 85 22.190 -20.804 -8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 85 23.478 -19.833 -8.685 1.00 0.00 H new ATOM 1406 N MET A 86 19.826 -16.371 -7.790 1.00 0.00 N ATOM 1407 CA MET A 86 19.624 -14.980 -7.404 1.00 0.00 C ATOM 1408 C MET A 86 18.324 -14.814 -6.624 1.00 0.00 C ATOM 1409 O MET A 86 18.291 -14.151 -5.588 1.00 0.00 O ATOM 1410 CB MET A 86 19.608 -14.082 -8.643 1.00 0.00 C ATOM 1411 CG MET A 86 20.061 -12.657 -8.367 1.00 0.00 C ATOM 1412 SD MET A 86 21.810 -12.554 -7.944 1.00 0.00 S ATOM 1413 CE MET A 86 21.714 -12.089 -6.216 1.00 0.00 C ATOM 0 H MET A 86 19.609 -16.574 -8.766 1.00 0.00 H new ATOM 0 HA MET A 86 20.452 -14.684 -6.760 1.00 0.00 H new ATOM 0 HB2 MET A 86 20.253 -14.518 -9.406 1.00 0.00 H new ATOM 0 HB3 MET A 86 18.598 -14.061 -9.053 1.00 0.00 H new ATOM 0 HG2 MET A 86 19.867 -12.042 -9.245 1.00 0.00 H new ATOM 0 HG3 MET A 86 19.469 -12.243 -7.551 1.00 0.00 H new ATOM 0 HE1 MET A 86 22.663 -12.310 -5.727 1.00 0.00 H new ATOM 0 HE2 MET A 86 21.505 -11.022 -6.137 1.00 0.00 H new ATOM 0 HE3 MET A 86 20.916 -12.652 -5.731 1.00 0.00 H new ATOM 1423 N MET A 87 17.255 -15.421 -7.130 1.00 0.00 N ATOM 1424 CA MET A 87 15.952 -15.341 -6.479 1.00 0.00 C ATOM 1425 C MET A 87 16.038 -15.813 -5.031 1.00 0.00 C ATOM 1426 O MET A 87 15.511 -15.167 -4.125 1.00 0.00 O ATOM 1427 CB MET A 87 14.925 -16.180 -7.242 1.00 0.00 C ATOM 1428 CG MET A 87 14.634 -15.661 -8.641 1.00 0.00 C ATOM 1429 SD MET A 87 12.946 -15.054 -8.820 1.00 0.00 S ATOM 1430 CE MET A 87 12.996 -13.600 -7.776 1.00 0.00 C ATOM 0 H MET A 87 17.265 -15.973 -7.988 1.00 0.00 H new ATOM 0 HA MET A 87 15.634 -14.298 -6.484 1.00 0.00 H new ATOM 0 HB2 MET A 87 15.286 -17.206 -7.312 1.00 0.00 H new ATOM 0 HB3 MET A 87 13.996 -16.207 -6.673 1.00 0.00 H new ATOM 0 HG2 MET A 87 15.332 -14.858 -8.879 1.00 0.00 H new ATOM 0 HG3 MET A 87 14.808 -16.458 -9.363 1.00 0.00 H new ATOM 0 HE1 MET A 87 12.314 -13.732 -6.936 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.009 -13.456 -7.401 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.695 -12.726 -8.354 1.00 0.00 H new ATOM 1440 N VAL A 88 16.704 -16.944 -4.821 1.00 0.00 N ATOM 1441 CA VAL A 88 16.858 -17.502 -3.483 1.00 0.00 C ATOM 1442 C VAL A 88 17.867 -16.701 -2.666 1.00 0.00 C ATOM 1443 O VAL A 88 17.689 -16.500 -1.465 1.00 0.00 O ATOM 1444 CB VAL A 88 17.311 -18.973 -3.537 1.00 0.00 C ATOM 1445 CG1 VAL A 88 17.627 -19.487 -2.141 1.00 0.00 C ATOM 1446 CG2 VAL A 88 16.248 -19.834 -4.203 1.00 0.00 C ATOM 0 H VAL A 88 17.145 -17.491 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 88 15.881 -17.448 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 88 18.221 -19.032 -4.134 1.00 0.00 H new ATOM 0 HG11 VAL A 88 17.945 -20.528 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 88 18.426 -18.887 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.737 -19.415 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.585 -20.870 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.320 -19.770 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.077 -19.479 -5.219 1.00 0.00 H new ATOM 1456 N PHE A 89 18.926 -16.245 -3.327 1.00 0.00 N ATOM 1457 CA PHE A 89 19.964 -15.466 -2.663 1.00 0.00 C ATOM 1458 C PHE A 89 19.370 -14.235 -1.984 1.00 0.00 C ATOM 1459 O PHE A 89 19.559 -14.021 -0.786 1.00 0.00 O ATOM 1460 CB PHE A 89 21.034 -15.040 -3.670 1.00 0.00 C ATOM 1461 CG PHE A 89 22.059 -14.105 -3.095 1.00 0.00 C ATOM 1462 CD1 PHE A 89 21.841 -12.736 -3.088 1.00 0.00 C ATOM 1463 CD2 PHE A 89 23.241 -14.594 -2.562 1.00 0.00 C ATOM 1464 CE1 PHE A 89 22.782 -11.873 -2.560 1.00 0.00 C ATOM 1465 CE2 PHE A 89 24.185 -13.735 -2.032 1.00 0.00 C ATOM 1466 CZ PHE A 89 23.956 -12.373 -2.032 1.00 0.00 C ATOM 0 H PHE A 89 19.088 -16.402 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 89 20.423 -16.095 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 89 21.537 -15.929 -4.051 1.00 0.00 H new ATOM 0 HB3 PHE A 89 20.551 -14.558 -4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 89 20.925 -12.339 -3.500 1.00 0.00 H new ATOM 0 HD2 PHE A 89 23.426 -15.658 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 89 22.600 -10.809 -2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 89 25.102 -14.129 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 89 24.694 -11.700 -1.620 1.00 0.00 H new ATOM 1476 N LEU A 90 18.651 -13.430 -2.758 1.00 0.00 N ATOM 1477 CA LEU A 90 18.029 -12.219 -2.233 1.00 0.00 C ATOM 1478 C LEU A 90 16.913 -12.562 -1.252 1.00 0.00 C ATOM 1479 O LEU A 90 16.709 -11.864 -0.259 1.00 0.00 O ATOM 1480 CB LEU A 90 17.473 -11.370 -3.378 1.00 0.00 C ATOM 1481 CG LEU A 90 16.340 -11.998 -4.191 1.00 0.00 C ATOM 1482 CD1 LEU A 90 14.990 -11.634 -3.593 1.00 0.00 C ATOM 1483 CD2 LEU A 90 16.418 -11.556 -5.645 1.00 0.00 C ATOM 0 H LEU A 90 18.484 -13.593 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 90 18.792 -11.649 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 90 17.117 -10.427 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 90 18.291 -11.131 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 90 16.450 -13.082 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 90 14.195 -12.089 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.935 -12.001 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.870 -10.551 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.604 -12.013 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.333 -10.471 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 90 17.372 -11.868 -6.069 1.00 0.00 H new ATOM 1495 N SER A 91 16.194 -13.643 -1.535 1.00 0.00 N ATOM 1496 CA SER A 91 15.097 -14.079 -0.678 1.00 0.00 C ATOM 1497 C SER A 91 15.558 -14.206 0.771 1.00 0.00 C ATOM 1498 O SER A 91 14.822 -13.870 1.699 1.00 0.00 O ATOM 1499 CB SER A 91 14.540 -15.417 -1.167 1.00 0.00 C ATOM 1500 OG SER A 91 13.643 -15.972 -0.221 1.00 0.00 O ATOM 0 H SER A 91 16.351 -14.234 -2.352 1.00 0.00 H new ATOM 0 HA SER A 91 14.310 -13.327 -0.726 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.028 -15.275 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.360 -16.112 -1.347 1.00 0.00 H new ATOM 0 HG SER A 91 13.300 -16.826 -0.558 1.00 0.00 H new ATOM 1506 N SER A 92 16.780 -14.693 0.956 1.00 0.00 N ATOM 1507 CA SER A 92 17.339 -14.868 2.291 1.00 0.00 C ATOM 1508 C SER A 92 17.600 -13.519 2.953 1.00 0.00 C ATOM 1509 O SER A 92 17.504 -13.383 4.172 1.00 0.00 O ATOM 1510 CB SER A 92 18.637 -15.675 2.222 1.00 0.00 C ATOM 1511 OG SER A 92 19.106 -15.998 3.520 1.00 0.00 O ATOM 0 H SER A 92 17.402 -14.974 0.198 1.00 0.00 H new ATOM 0 HA SER A 92 16.612 -15.413 2.893 1.00 0.00 H new ATOM 0 HB2 SER A 92 18.470 -16.590 1.654 1.00 0.00 H new ATOM 0 HB3 SER A 92 19.397 -15.103 1.689 1.00 0.00 H new ATOM 0 HG SER A 92 19.936 -16.515 3.449 1.00 0.00 H new