USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 667 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 95 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00446) USER MOD Set 1.2: A 96 LYS NZ :NH3+ -121:sc= -0.104 (180deg=-0.68) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -98:sc= 0.0906 (180deg=-1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -161:sc= -0.132 (180deg=-0.612) USER MOD Single : A 48 GLN : amide:sc= -0.587 K(o=-0.59,f=-0.081) USER MOD Single : A 51 MET CE :methyl -173:sc= -3.45! (180deg=-3.53!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-0.74) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0445) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 13:sc= -0.35 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -2.35! C(o=-2.4!,f=-3.6!) USER MOD Single : A 82 ASN : amide:sc= -5.83! C(o=-5.8!,f=-2.1!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -112:sc= 0.477 (180deg=-2.48!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.56 K(o=-1.6,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -8.932 -0.831 -12.142 1.00 0.00 N ATOM 143 CA GLU A 10 -8.251 -2.111 -12.085 1.00 0.00 C ATOM 144 C GLU A 10 -9.229 -3.284 -12.096 1.00 0.00 C ATOM 145 O GLU A 10 -10.229 -3.285 -11.379 1.00 0.00 O ATOM 146 CB GLU A 10 -7.355 -2.168 -10.848 1.00 0.00 C ATOM 147 CG GLU A 10 -8.109 -1.992 -9.542 1.00 0.00 C ATOM 148 CD GLU A 10 -7.310 -1.221 -8.510 1.00 0.00 C ATOM 149 OE1 GLU A 10 -6.066 -1.337 -8.512 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.928 -0.500 -7.697 1.00 0.00 O ATOM 0 HA GLU A 10 -7.636 -2.201 -12.981 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.834 -3.125 -10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.593 -1.392 -10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.046 -1.470 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.366 -2.972 -9.140 1.00 0.00 H new ATOM 157 N LYS A 11 -8.919 -4.281 -12.924 1.00 0.00 N ATOM 158 CA LYS A 11 -9.751 -5.474 -13.049 1.00 0.00 C ATOM 159 C LYS A 11 -9.792 -6.244 -11.726 1.00 0.00 C ATOM 160 O LYS A 11 -9.683 -5.650 -10.656 1.00 0.00 O ATOM 161 CB LYS A 11 -9.218 -6.365 -14.179 1.00 0.00 C ATOM 162 CG LYS A 11 -8.940 -5.615 -15.473 1.00 0.00 C ATOM 163 CD LYS A 11 -8.520 -6.559 -16.589 1.00 0.00 C ATOM 164 CE LYS A 11 -9.658 -7.479 -17.001 1.00 0.00 C ATOM 165 NZ LYS A 11 -9.588 -7.837 -18.446 1.00 0.00 N ATOM 0 H LYS A 11 -8.092 -4.284 -13.521 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.769 -5.170 -13.293 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.300 -6.848 -13.846 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.941 -7.156 -14.377 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.833 -5.067 -15.776 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.155 -4.877 -15.305 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.189 -5.980 -17.451 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.669 -7.156 -16.261 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.626 -8.388 -16.400 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.611 -6.993 -16.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.381 -8.465 -18.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.644 -6.972 -19.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.690 -8.324 -18.640 1.00 0.00 H new ATOM 179 N ASP A 12 -9.953 -7.566 -11.801 1.00 0.00 N ATOM 180 CA ASP A 12 -10.007 -8.393 -10.602 1.00 0.00 C ATOM 181 C ASP A 12 -9.167 -9.658 -10.764 1.00 0.00 C ATOM 182 O ASP A 12 -9.383 -10.649 -10.067 1.00 0.00 O ATOM 183 CB ASP A 12 -11.456 -8.769 -10.286 1.00 0.00 C ATOM 184 CG ASP A 12 -12.152 -9.424 -11.464 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.553 -10.332 -12.077 1.00 0.00 O ATOM 186 OD2 ASP A 12 -13.296 -9.030 -11.772 1.00 0.00 O ATOM 0 H ASP A 12 -10.048 -8.082 -12.676 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.595 -7.813 -9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.475 -9.447 -9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.006 -7.874 -9.994 1.00 0.00 H new ATOM 191 N GLY A 13 -8.213 -9.620 -11.688 1.00 0.00 N ATOM 192 CA GLY A 13 -7.364 -10.775 -11.923 1.00 0.00 C ATOM 193 C GLY A 13 -5.984 -10.628 -11.311 1.00 0.00 C ATOM 194 O GLY A 13 -5.783 -9.830 -10.396 1.00 0.00 O ATOM 0 H GLY A 13 -8.012 -8.812 -12.278 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.845 -11.663 -11.513 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.265 -10.934 -12.997 1.00 0.00 H new ATOM 198 N ALA A 14 -5.032 -11.408 -11.816 1.00 0.00 N ATOM 199 CA ALA A 14 -3.663 -11.374 -11.311 1.00 0.00 C ATOM 200 C ALA A 14 -2.965 -10.064 -11.668 1.00 0.00 C ATOM 201 O ALA A 14 -3.567 -9.166 -12.256 1.00 0.00 O ATOM 202 CB ALA A 14 -2.876 -12.562 -11.851 1.00 0.00 C ATOM 0 H ALA A 14 -5.184 -12.072 -12.575 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.705 -11.438 -10.224 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.856 -12.527 -11.468 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.352 -13.489 -11.532 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.856 -12.521 -12.940 1.00 0.00 H new ATOM 208 N VAL A 15 -1.674 -9.990 -11.354 1.00 0.00 N ATOM 209 CA VAL A 15 -0.871 -8.818 -11.689 1.00 0.00 C ATOM 210 C VAL A 15 -0.689 -8.704 -13.199 1.00 0.00 C ATOM 211 O VAL A 15 -0.628 -9.716 -13.897 1.00 0.00 O ATOM 212 CB VAL A 15 0.509 -8.849 -11.010 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.331 -10.034 -11.499 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.245 -7.537 -11.239 1.00 0.00 C ATOM 0 H VAL A 15 -1.162 -10.727 -10.869 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.413 -7.948 -11.318 1.00 0.00 H new ATOM 0 HB VAL A 15 0.360 -8.971 -9.937 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.302 -10.033 -11.004 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.807 -10.961 -11.267 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.474 -9.958 -12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.219 -7.576 -10.752 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.380 -7.378 -12.309 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.663 -6.716 -10.821 1.00 0.00 H new ATOM 224 N GLU A 16 -0.561 -7.482 -13.700 1.00 0.00 N ATOM 225 CA GLU A 16 -0.339 -7.262 -15.122 1.00 0.00 C ATOM 226 C GLU A 16 0.739 -6.200 -15.327 1.00 0.00 C ATOM 227 O GLU A 16 1.126 -5.510 -14.386 1.00 0.00 O ATOM 228 CB GLU A 16 -1.635 -6.861 -15.838 1.00 0.00 C ATOM 229 CG GLU A 16 -2.457 -8.045 -16.313 1.00 0.00 C ATOM 230 CD GLU A 16 -3.822 -7.637 -16.829 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.898 -7.113 -17.960 1.00 0.00 O ATOM 232 OE2 GLU A 16 -4.818 -7.840 -16.102 1.00 0.00 O ATOM 0 H GLU A 16 -0.607 -6.629 -13.143 1.00 0.00 H new ATOM 0 HA GLU A 16 0.001 -8.201 -15.560 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.241 -6.256 -15.164 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.388 -6.234 -16.694 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.915 -8.566 -17.102 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.579 -8.751 -15.491 1.00 0.00 H new ATOM 239 N ALA A 17 1.240 -6.120 -16.558 1.00 0.00 N ATOM 240 CA ALA A 17 2.318 -5.187 -16.916 1.00 0.00 C ATOM 241 C ALA A 17 2.432 -4.019 -15.924 1.00 0.00 C ATOM 242 O ALA A 17 3.368 -3.977 -15.125 1.00 0.00 O ATOM 243 CB ALA A 17 2.102 -4.656 -18.326 1.00 0.00 C ATOM 0 H ALA A 17 0.915 -6.695 -17.335 1.00 0.00 H new ATOM 0 HA ALA A 17 3.255 -5.742 -16.872 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.906 -3.966 -18.582 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.099 -5.487 -19.031 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.146 -4.134 -18.376 1.00 0.00 H new ATOM 249 N GLU A 18 1.507 -3.068 -15.987 1.00 0.00 N ATOM 250 CA GLU A 18 1.556 -1.906 -15.093 1.00 0.00 C ATOM 251 C GLU A 18 0.328 -1.832 -14.184 1.00 0.00 C ATOM 252 O GLU A 18 -0.550 -0.990 -14.374 1.00 0.00 O ATOM 253 CB GLU A 18 1.670 -0.618 -15.911 1.00 0.00 C ATOM 254 CG GLU A 18 2.798 -0.641 -16.931 1.00 0.00 C ATOM 255 CD GLU A 18 2.366 -0.123 -18.288 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.669 0.912 -18.335 1.00 0.00 O ATOM 257 OE2 GLU A 18 2.725 -0.753 -19.305 1.00 0.00 O ATOM 0 H GLU A 18 0.721 -3.073 -16.637 1.00 0.00 H new ATOM 0 HA GLU A 18 2.435 -2.019 -14.459 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.727 -0.442 -16.429 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.823 0.221 -15.232 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.628 -0.038 -16.563 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.167 -1.661 -17.036 1.00 0.00 H new ATOM 264 N ASP A 19 0.266 -2.743 -13.213 1.00 0.00 N ATOM 265 CA ASP A 19 -0.864 -2.815 -12.283 1.00 0.00 C ATOM 266 C ASP A 19 -0.574 -2.164 -10.931 1.00 0.00 C ATOM 267 O ASP A 19 0.461 -1.531 -10.738 1.00 0.00 O ATOM 268 CB ASP A 19 -1.221 -4.277 -12.063 1.00 0.00 C ATOM 269 CG ASP A 19 -1.759 -4.920 -13.313 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.423 -4.441 -14.417 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.517 -5.907 -13.191 1.00 0.00 O ATOM 0 H ASP A 19 0.988 -3.445 -13.049 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.690 -2.262 -12.732 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.337 -4.820 -11.728 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.963 -4.353 -11.268 1.00 0.00 H new ATOM 276 N ARG A 20 -1.513 -2.347 -9.994 1.00 0.00 N ATOM 277 CA ARG A 20 -1.394 -1.811 -8.643 1.00 0.00 C ATOM 278 C ARG A 20 -1.948 -2.809 -7.621 1.00 0.00 C ATOM 279 O ARG A 20 -3.149 -3.073 -7.590 1.00 0.00 O ATOM 280 CB ARG A 20 -2.143 -0.489 -8.524 1.00 0.00 C ATOM 281 CG ARG A 20 -1.419 0.550 -7.690 1.00 0.00 C ATOM 282 CD ARG A 20 -1.060 1.770 -8.517 1.00 0.00 C ATOM 283 NE ARG A 20 -0.875 2.964 -7.696 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.688 4.181 -8.202 1.00 0.00 C ATOM 285 NH1 ARG A 20 -0.594 4.349 -9.515 1.00 0.00 N ATOM 286 NH2 ARG A 20 -0.592 5.230 -7.397 1.00 0.00 N ATOM 0 H ARG A 20 -2.373 -2.871 -10.156 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.337 -1.640 -8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.312 -0.086 -9.523 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.123 -0.675 -8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.048 0.849 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.513 0.114 -7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.145 1.571 -9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.847 1.954 -9.249 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.890 2.860 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.665 3.545 -10.138 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.451 5.282 -9.901 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.661 5.106 -6.387 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.449 6.161 -7.788 1.00 0.00 H new ATOM 300 N VAL A 21 -1.072 -3.345 -6.778 1.00 0.00 N ATOM 301 CA VAL A 21 -1.471 -4.299 -5.744 1.00 0.00 C ATOM 302 C VAL A 21 -1.742 -3.612 -4.404 1.00 0.00 C ATOM 303 O VAL A 21 -1.337 -2.470 -4.188 1.00 0.00 O ATOM 304 CB VAL A 21 -0.384 -5.367 -5.526 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.258 -6.267 -6.745 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.945 -4.708 -5.199 1.00 0.00 C ATOM 0 H VAL A 21 -0.074 -3.135 -6.789 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.390 -4.766 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.676 -5.989 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.516 -7.014 -6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.209 -6.767 -6.928 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.010 -5.667 -7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.704 -5.475 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.243 -4.061 -6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.843 -4.114 -4.291 1.00 0.00 H new ATOM 316 N THR A 22 -2.384 -4.341 -3.488 1.00 0.00 N ATOM 317 CA THR A 22 -2.654 -3.829 -2.150 1.00 0.00 C ATOM 318 C THR A 22 -1.963 -4.731 -1.135 1.00 0.00 C ATOM 319 O THR A 22 -2.310 -5.902 -1.004 1.00 0.00 O ATOM 320 CB THR A 22 -4.156 -3.776 -1.869 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.808 -2.893 -2.767 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.477 -3.319 -0.460 1.00 0.00 C ATOM 0 H THR A 22 -2.725 -5.288 -3.652 1.00 0.00 H new ATOM 0 HA THR A 22 -2.269 -2.812 -2.074 1.00 0.00 H new ATOM 0 HB THR A 22 -4.513 -4.798 -1.998 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.768 -2.876 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.558 -3.302 -0.321 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.030 -4.008 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.075 -2.319 -0.301 1.00 0.00 H new ATOM 330 N ILE A 23 -0.958 -4.203 -0.450 1.00 0.00 N ATOM 331 CA ILE A 23 -0.208 -5.003 0.509 1.00 0.00 C ATOM 332 C ILE A 23 -0.059 -4.320 1.871 1.00 0.00 C ATOM 333 O ILE A 23 -0.108 -3.096 1.979 1.00 0.00 O ATOM 334 CB ILE A 23 1.205 -5.309 -0.026 1.00 0.00 C ATOM 335 CG1 ILE A 23 2.007 -4.014 -0.153 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.143 -6.038 -1.364 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.366 -4.207 -0.773 1.00 0.00 C ATOM 0 H ILE A 23 -0.646 -3.236 -0.538 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.782 -5.920 0.642 1.00 0.00 H new ATOM 0 HB ILE A 23 1.706 -5.966 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.440 -3.302 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.127 -3.572 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.155 -6.240 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.607 -6.979 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.623 -5.417 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.879 -3.247 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.951 -4.894 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.253 -4.620 -1.775 1.00 0.00 H new ATOM 349 N ASP A 24 0.176 -5.137 2.893 1.00 0.00 N ATOM 350 CA ASP A 24 0.400 -4.659 4.254 1.00 0.00 C ATOM 351 C ASP A 24 1.732 -5.228 4.736 1.00 0.00 C ATOM 352 O ASP A 24 1.938 -6.440 4.675 1.00 0.00 O ATOM 353 CB ASP A 24 -0.729 -5.112 5.186 1.00 0.00 C ATOM 354 CG ASP A 24 -1.011 -6.595 5.075 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.459 -7.035 3.997 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.785 -7.318 6.068 1.00 0.00 O ATOM 0 H ASP A 24 0.217 -6.152 2.801 1.00 0.00 H new ATOM 0 HA ASP A 24 0.419 -3.569 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.464 -4.872 6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.636 -4.554 4.951 1.00 0.00 H new ATOM 361 N PHE A 25 2.653 -4.377 5.182 1.00 0.00 N ATOM 362 CA PHE A 25 3.960 -4.872 5.614 1.00 0.00 C ATOM 363 C PHE A 25 4.506 -4.148 6.835 1.00 0.00 C ATOM 364 O PHE A 25 3.996 -3.107 7.247 1.00 0.00 O ATOM 365 CB PHE A 25 4.962 -4.759 4.466 1.00 0.00 C ATOM 366 CG PHE A 25 5.329 -3.346 4.113 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.182 -2.610 4.921 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.801 -2.745 2.984 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.500 -1.302 4.606 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.111 -1.439 2.671 1.00 0.00 C ATOM 371 CZ PHE A 25 5.958 -0.717 3.480 1.00 0.00 C ATOM 0 H PHE A 25 2.526 -3.367 5.254 1.00 0.00 H new ATOM 0 HA PHE A 25 3.818 -5.914 5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.868 -5.303 4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.546 -5.247 3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.603 -3.064 5.806 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.139 -3.305 2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.170 -0.740 5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.688 -0.981 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.198 0.307 3.234 1.00 0.00 H new ATOM 381 N THR A 26 5.558 -4.729 7.406 1.00 0.00 N ATOM 382 CA THR A 26 6.211 -4.175 8.587 1.00 0.00 C ATOM 383 C THR A 26 7.713 -4.460 8.559 1.00 0.00 C ATOM 384 O THR A 26 8.130 -5.619 8.599 1.00 0.00 O ATOM 385 CB THR A 26 5.597 -4.774 9.854 1.00 0.00 C ATOM 386 OG1 THR A 26 4.223 -4.443 9.951 1.00 0.00 O ATOM 387 CG2 THR A 26 6.275 -4.317 11.127 1.00 0.00 C ATOM 0 H THR A 26 5.980 -5.593 7.065 1.00 0.00 H new ATOM 0 HA THR A 26 6.061 -3.095 8.587 1.00 0.00 H new ATOM 0 HB THR A 26 5.737 -5.851 9.759 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.849 -4.837 10.767 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.788 -4.781 11.985 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.325 -4.608 11.105 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.201 -3.233 11.210 1.00 0.00 H new ATOM 395 N GLY A 27 8.521 -3.404 8.491 1.00 0.00 N ATOM 396 CA GLY A 27 9.964 -3.583 8.460 1.00 0.00 C ATOM 397 C GLY A 27 10.733 -2.318 8.797 1.00 0.00 C ATOM 398 O GLY A 27 10.176 -1.224 8.806 1.00 0.00 O ATOM 0 H GLY A 27 8.206 -2.435 8.457 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.241 -4.367 9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.259 -3.926 7.469 1.00 0.00 H new ATOM 402 N SER A 28 12.022 -2.482 9.082 1.00 0.00 N ATOM 403 CA SER A 28 12.889 -1.357 9.430 1.00 0.00 C ATOM 404 C SER A 28 13.901 -1.070 8.330 1.00 0.00 C ATOM 405 O SER A 28 14.000 -1.813 7.355 1.00 0.00 O ATOM 406 CB SER A 28 13.637 -1.657 10.729 1.00 0.00 C ATOM 407 OG SER A 28 12.903 -2.552 11.545 1.00 0.00 O ATOM 0 H SER A 28 12.492 -3.387 9.079 1.00 0.00 H new ATOM 0 HA SER A 28 12.255 -0.479 9.555 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.613 -2.086 10.500 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.816 -0.729 11.272 1.00 0.00 H new ATOM 0 HG SER A 28 13.404 -2.729 12.369 1.00 0.00 H new ATOM 413 N VAL A 29 14.668 0.003 8.517 1.00 0.00 N ATOM 414 CA VAL A 29 15.698 0.393 7.563 1.00 0.00 C ATOM 415 C VAL A 29 17.091 0.207 8.165 1.00 0.00 C ATOM 416 O VAL A 29 17.804 -0.731 7.805 1.00 0.00 O ATOM 417 CB VAL A 29 15.499 1.852 7.055 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.193 2.818 8.195 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.704 2.332 6.252 1.00 0.00 C ATOM 0 H VAL A 29 14.592 0.619 9.326 1.00 0.00 H new ATOM 0 HA VAL A 29 15.606 -0.263 6.697 1.00 0.00 H new ATOM 0 HB VAL A 29 14.633 1.838 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.062 3.823 7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.279 2.507 8.700 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.019 2.815 8.906 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.532 3.353 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.594 2.303 6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.848 1.682 5.389 1.00 0.00 H new ATOM 429 N ASP A 30 17.476 1.078 9.090 1.00 0.00 N ATOM 430 CA ASP A 30 18.775 0.971 9.733 1.00 0.00 C ATOM 431 C ASP A 30 18.647 0.222 11.056 1.00 0.00 C ATOM 432 O ASP A 30 19.356 0.515 12.018 1.00 0.00 O ATOM 433 CB ASP A 30 19.374 2.360 9.968 1.00 0.00 C ATOM 434 CG ASP A 30 20.841 2.423 9.590 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.139 2.527 8.382 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.692 2.367 10.503 1.00 0.00 O ATOM 0 H ASP A 30 16.908 1.863 9.409 1.00 0.00 H new ATOM 0 HA ASP A 30 19.442 0.414 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.819 3.096 9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.259 2.630 11.018 1.00 0.00 H new ATOM 441 N GLY A 31 17.725 -0.739 11.099 1.00 0.00 N ATOM 442 CA GLY A 31 17.509 -1.503 12.311 1.00 0.00 C ATOM 443 C GLY A 31 16.357 -0.956 13.136 1.00 0.00 C ATOM 444 O GLY A 31 15.939 -1.573 14.115 1.00 0.00 O ATOM 0 H GLY A 31 17.126 -0.999 10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.307 -2.542 12.052 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.419 -1.495 12.911 1.00 0.00 H new ATOM 448 N GLU A 32 15.842 0.204 12.732 1.00 0.00 N ATOM 449 CA GLU A 32 14.729 0.834 13.431 1.00 0.00 C ATOM 450 C GLU A 32 13.661 1.269 12.434 1.00 0.00 C ATOM 451 O GLU A 32 13.893 2.140 11.597 1.00 0.00 O ATOM 452 CB GLU A 32 15.218 2.035 14.243 1.00 0.00 C ATOM 453 CG GLU A 32 16.430 1.729 15.107 1.00 0.00 C ATOM 454 CD GLU A 32 17.557 2.723 14.908 1.00 0.00 C ATOM 455 OE1 GLU A 32 18.009 2.884 13.754 1.00 0.00 O ATOM 456 OE2 GLU A 32 17.987 3.341 15.903 1.00 0.00 O ATOM 0 H GLU A 32 16.180 0.725 11.923 1.00 0.00 H new ATOM 0 HA GLU A 32 14.293 0.108 14.117 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.464 2.849 13.561 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.407 2.387 14.880 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.133 1.729 16.156 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.791 0.726 14.878 1.00 0.00 H new ATOM 463 N GLU A 33 12.495 0.640 12.524 1.00 0.00 N ATOM 464 CA GLU A 33 11.392 0.934 11.632 1.00 0.00 C ATOM 465 C GLU A 33 11.028 2.403 11.698 1.00 0.00 C ATOM 466 O GLU A 33 10.679 2.927 12.756 1.00 0.00 O ATOM 467 CB GLU A 33 10.184 0.070 11.992 1.00 0.00 C ATOM 468 CG GLU A 33 9.647 0.334 13.388 1.00 0.00 C ATOM 469 CD GLU A 33 9.360 -0.942 14.153 1.00 0.00 C ATOM 470 OE1 GLU A 33 9.180 -1.995 13.503 1.00 0.00 O ATOM 471 OE2 GLU A 33 9.316 -0.890 15.398 1.00 0.00 O ATOM 0 H GLU A 33 12.293 -0.083 13.215 1.00 0.00 H new ATOM 0 HA GLU A 33 11.699 0.704 10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.391 0.248 11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.461 -0.981 11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.369 0.932 13.944 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.733 0.924 13.316 1.00 0.00 H new ATOM 478 N PHE A 34 11.152 3.069 10.562 1.00 0.00 N ATOM 479 CA PHE A 34 10.885 4.503 10.452 1.00 0.00 C ATOM 480 C PHE A 34 9.397 4.808 10.282 1.00 0.00 C ATOM 481 O PHE A 34 8.551 4.223 10.958 1.00 0.00 O ATOM 482 CB PHE A 34 11.718 5.073 9.283 1.00 0.00 C ATOM 483 CG PHE A 34 11.266 4.657 7.897 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.119 3.319 7.555 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.000 5.617 6.932 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.714 2.954 6.284 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.594 5.255 5.660 1.00 0.00 C ATOM 488 CZ PHE A 34 10.452 3.922 5.338 1.00 0.00 C ATOM 0 H PHE A 34 11.441 2.634 9.686 1.00 0.00 H new ATOM 0 HA PHE A 34 11.181 4.986 11.383 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.697 6.161 9.342 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.756 4.766 9.415 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.323 2.555 8.290 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.111 6.663 7.177 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.603 1.910 6.032 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.389 6.015 4.921 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.136 3.636 4.346 1.00 0.00 H new ATOM 498 N GLU A 35 9.084 5.711 9.370 1.00 0.00 N ATOM 499 CA GLU A 35 7.703 6.088 9.088 1.00 0.00 C ATOM 500 C GLU A 35 6.968 4.946 8.399 1.00 0.00 C ATOM 501 O GLU A 35 5.936 4.474 8.879 1.00 0.00 O ATOM 502 CB GLU A 35 7.663 7.331 8.197 1.00 0.00 C ATOM 503 CG GLU A 35 8.292 8.561 8.829 1.00 0.00 C ATOM 504 CD GLU A 35 7.938 9.836 8.089 1.00 0.00 C ATOM 505 OE1 GLU A 35 6.791 10.309 8.236 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.807 10.363 7.364 1.00 0.00 O ATOM 0 H GLU A 35 9.774 6.204 8.804 1.00 0.00 H new ATOM 0 HA GLU A 35 7.210 6.308 10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.177 7.112 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.626 7.553 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.963 8.642 9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.375 8.443 8.847 1.00 0.00 H new ATOM 513 N GLY A 36 7.513 4.506 7.266 1.00 0.00 N ATOM 514 CA GLY A 36 6.908 3.419 6.521 1.00 0.00 C ATOM 515 C GLY A 36 7.237 2.061 7.104 1.00 0.00 C ATOM 516 O GLY A 36 6.976 1.035 6.480 1.00 0.00 O ATOM 0 H GLY A 36 8.365 4.885 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.826 3.552 6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.249 3.459 5.486 1.00 0.00 H new ATOM 520 N GLY A 37 7.809 2.050 8.306 1.00 0.00 N ATOM 521 CA GLY A 37 8.155 0.801 8.946 1.00 0.00 C ATOM 522 C GLY A 37 6.961 -0.115 9.139 1.00 0.00 C ATOM 523 O GLY A 37 7.122 -1.289 9.472 1.00 0.00 O ATOM 0 H GLY A 37 8.037 2.886 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.907 0.288 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.608 1.009 9.916 1.00 0.00 H new ATOM 527 N LYS A 38 5.761 0.416 8.921 1.00 0.00 N ATOM 528 CA LYS A 38 4.546 -0.368 9.062 1.00 0.00 C ATOM 529 C LYS A 38 3.468 0.138 8.108 1.00 0.00 C ATOM 530 O LYS A 38 3.070 1.301 8.162 1.00 0.00 O ATOM 531 CB LYS A 38 4.042 -0.320 10.505 1.00 0.00 C ATOM 532 CG LYS A 38 3.959 -1.689 11.160 1.00 0.00 C ATOM 533 CD LYS A 38 4.223 -1.614 12.657 1.00 0.00 C ATOM 534 CE LYS A 38 5.684 -1.308 12.950 1.00 0.00 C ATOM 535 NZ LYS A 38 6.140 -1.932 14.224 1.00 0.00 N ATOM 0 H LYS A 38 5.608 1.386 8.646 1.00 0.00 H new ATOM 0 HA LYS A 38 4.775 -1.403 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.704 0.316 11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.056 0.144 10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.972 -2.117 10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.683 -2.359 10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.593 -0.843 13.101 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.947 -2.559 13.124 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.302 -1.669 12.128 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.825 -0.228 13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.106 -1.227 14.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.517 -2.730 14.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.115 -2.275 14.113 1.00 0.00 H new ATOM 549 N ALA A 39 2.999 -0.747 7.237 1.00 0.00 N ATOM 550 CA ALA A 39 1.969 -0.398 6.270 1.00 0.00 C ATOM 551 C ALA A 39 0.884 -1.462 6.235 1.00 0.00 C ATOM 552 O ALA A 39 1.158 -2.652 6.391 1.00 0.00 O ATOM 553 CB ALA A 39 2.571 -0.213 4.883 1.00 0.00 C ATOM 0 H ALA A 39 3.318 -1.714 7.182 1.00 0.00 H new ATOM 0 HA ALA A 39 1.520 0.546 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.783 0.047 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.312 0.586 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.050 -1.140 4.567 1.00 0.00 H new ATOM 559 N SER A 40 -0.351 -1.024 6.031 1.00 0.00 N ATOM 560 CA SER A 40 -1.480 -1.939 5.978 1.00 0.00 C ATOM 561 C SER A 40 -2.097 -1.957 4.588 1.00 0.00 C ATOM 562 O SER A 40 -2.129 -2.989 3.922 1.00 0.00 O ATOM 563 CB SER A 40 -2.537 -1.541 7.010 1.00 0.00 C ATOM 564 OG SER A 40 -1.950 -0.872 8.112 1.00 0.00 O ATOM 0 H SER A 40 -0.595 -0.042 5.900 1.00 0.00 H new ATOM 0 HA SER A 40 -1.115 -2.940 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.280 -0.895 6.543 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.062 -2.430 7.359 1.00 0.00 H new ATOM 0 HG SER A 40 -2.647 -0.627 8.755 1.00 0.00 H new ATOM 570 N ASP A 41 -2.535 -0.797 4.127 1.00 0.00 N ATOM 571 CA ASP A 41 -3.090 -0.649 2.799 1.00 0.00 C ATOM 572 C ASP A 41 -2.048 -0.003 1.904 1.00 0.00 C ATOM 573 O ASP A 41 -2.193 1.156 1.512 1.00 0.00 O ATOM 574 CB ASP A 41 -4.364 0.198 2.836 1.00 0.00 C ATOM 575 CG ASP A 41 -5.470 -0.453 3.643 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.602 -1.694 3.577 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.203 0.277 4.343 1.00 0.00 O ATOM 0 H ASP A 41 -2.514 0.068 4.667 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.356 -1.630 2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.135 1.175 3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.713 0.368 1.818 1.00 0.00 H new ATOM 582 N PHE A 42 -1.003 -0.736 1.580 1.00 0.00 N ATOM 583 CA PHE A 42 0.047 -0.201 0.723 1.00 0.00 C ATOM 584 C PHE A 42 -0.279 -0.483 -0.732 1.00 0.00 C ATOM 585 O PHE A 42 -0.203 -1.624 -1.185 1.00 0.00 O ATOM 586 CB PHE A 42 1.411 -0.802 1.085 1.00 0.00 C ATOM 587 CG PHE A 42 2.578 -0.072 0.473 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.594 1.314 0.419 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.662 -0.770 -0.047 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.662 1.991 -0.138 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.734 -0.095 -0.606 1.00 0.00 C ATOM 592 CZ PHE A 42 4.733 1.287 -0.650 1.00 0.00 C ATOM 0 H PHE A 42 -0.854 -1.696 1.891 1.00 0.00 H new ATOM 0 HA PHE A 42 0.100 0.877 0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.522 -0.801 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.436 -1.843 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.760 1.872 0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.668 -1.849 -0.015 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.659 3.070 -0.173 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.571 -0.648 -1.007 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.569 1.815 -1.084 1.00 0.00 H new ATOM 602 N VAL A 43 -0.647 0.561 -1.461 1.00 0.00 N ATOM 603 CA VAL A 43 -0.990 0.421 -2.859 1.00 0.00 C ATOM 604 C VAL A 43 0.253 0.524 -3.732 1.00 0.00 C ATOM 605 O VAL A 43 0.703 1.621 -4.069 1.00 0.00 O ATOM 606 CB VAL A 43 -2.006 1.492 -3.282 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.488 1.236 -4.699 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.177 1.532 -2.311 1.00 0.00 C ATOM 0 H VAL A 43 -0.714 1.513 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.438 -0.564 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.514 2.464 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.207 2.004 -4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.639 1.263 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.964 0.257 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.886 2.297 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.672 0.561 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.813 1.767 -1.311 1.00 0.00 H new ATOM 618 N LEU A 44 0.811 -0.627 -4.081 1.00 0.00 N ATOM 619 CA LEU A 44 2.012 -0.680 -4.900 1.00 0.00 C ATOM 620 C LEU A 44 1.666 -0.721 -6.381 1.00 0.00 C ATOM 621 O LEU A 44 0.808 -1.490 -6.803 1.00 0.00 O ATOM 622 CB LEU A 44 2.843 -1.910 -4.532 1.00 0.00 C ATOM 623 CG LEU A 44 4.298 -1.626 -4.159 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.066 -2.928 -4.022 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.954 -0.725 -5.198 1.00 0.00 C ATOM 0 H LEU A 44 0.448 -1.540 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 44 2.591 0.223 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.362 -2.416 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.829 -2.603 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 44 4.316 -1.107 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.101 -2.714 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.610 -3.539 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.039 -3.468 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.989 -0.535 -4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.929 -1.214 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.414 0.220 -5.253 1.00 0.00 H new ATOM 637 N ALA A 45 2.359 0.102 -7.160 1.00 0.00 N ATOM 638 CA ALA A 45 2.144 0.156 -8.600 1.00 0.00 C ATOM 639 C ALA A 45 3.156 -0.727 -9.326 1.00 0.00 C ATOM 640 O ALA A 45 4.325 -0.362 -9.457 1.00 0.00 O ATOM 641 CB ALA A 45 2.256 1.589 -9.097 1.00 0.00 C ATOM 0 H ALA A 45 3.076 0.742 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 45 1.141 -0.215 -8.811 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.093 1.614 -10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.506 2.205 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.250 1.976 -8.871 1.00 0.00 H new ATOM 647 N MET A 46 2.711 -1.887 -9.796 1.00 0.00 N ATOM 648 CA MET A 46 3.592 -2.807 -10.501 1.00 0.00 C ATOM 649 C MET A 46 4.030 -2.235 -11.843 1.00 0.00 C ATOM 650 O MET A 46 3.478 -2.579 -12.887 1.00 0.00 O ATOM 651 CB MET A 46 2.903 -4.155 -10.702 1.00 0.00 C ATOM 652 CG MET A 46 3.595 -5.285 -9.963 1.00 0.00 C ATOM 653 SD MET A 46 5.285 -5.557 -10.530 1.00 0.00 S ATOM 654 CE MET A 46 5.007 -6.008 -12.241 1.00 0.00 C ATOM 0 H MET A 46 1.748 -2.211 -9.701 1.00 0.00 H new ATOM 0 HA MET A 46 4.482 -2.952 -9.889 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.870 -4.084 -10.362 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.873 -4.388 -11.766 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.606 -5.063 -8.896 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.021 -6.203 -10.092 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.886 -6.523 -12.629 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.141 -6.667 -12.307 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.824 -5.109 -12.829 1.00 0.00 H new ATOM 664 N GLY A 47 5.036 -1.369 -11.798 1.00 0.00 N ATOM 665 CA GLY A 47 5.555 -0.764 -13.011 1.00 0.00 C ATOM 666 C GLY A 47 5.063 0.656 -13.228 1.00 0.00 C ATOM 667 O GLY A 47 4.197 0.897 -14.066 1.00 0.00 O ATOM 0 H GLY A 47 5.503 -1.074 -10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.644 -0.762 -12.971 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.268 -1.376 -13.866 1.00 0.00 H new ATOM 671 N GLN A 48 5.627 1.596 -12.477 1.00 0.00 N ATOM 672 CA GLN A 48 5.249 3.001 -12.603 1.00 0.00 C ATOM 673 C GLN A 48 6.492 3.878 -12.690 1.00 0.00 C ATOM 674 O GLN A 48 6.750 4.506 -13.716 1.00 0.00 O ATOM 675 CB GLN A 48 4.378 3.431 -11.421 1.00 0.00 C ATOM 676 CG GLN A 48 2.891 3.445 -11.738 1.00 0.00 C ATOM 677 CD GLN A 48 2.494 4.605 -12.630 1.00 0.00 C ATOM 678 OE1 GLN A 48 2.132 5.680 -12.149 1.00 0.00 O ATOM 679 NE2 GLN A 48 2.557 4.394 -13.940 1.00 0.00 N ATOM 0 H GLN A 48 6.345 1.412 -11.776 1.00 0.00 H new ATOM 0 HA GLN A 48 4.671 3.122 -13.519 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.557 2.756 -10.584 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.682 4.427 -11.099 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.618 2.508 -12.224 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.326 3.497 -10.807 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.862 3.488 -14.297 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.300 5.138 -14.589 1.00 0.00 H new ATOM 688 N GLY A 49 7.266 3.905 -11.612 1.00 0.00 N ATOM 689 CA GLY A 49 8.483 4.695 -11.590 1.00 0.00 C ATOM 690 C GLY A 49 9.711 3.845 -11.839 1.00 0.00 C ATOM 691 O GLY A 49 10.478 4.098 -12.767 1.00 0.00 O ATOM 0 H GLY A 49 7.073 3.393 -10.751 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.423 5.477 -12.347 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.575 5.193 -10.625 1.00 0.00 H new ATOM 695 N ARG A 50 9.890 2.824 -11.005 1.00 0.00 N ATOM 696 CA ARG A 50 11.022 1.914 -11.125 1.00 0.00 C ATOM 697 C ARG A 50 10.952 0.835 -10.049 1.00 0.00 C ATOM 698 O ARG A 50 11.777 0.795 -9.137 1.00 0.00 O ATOM 699 CB ARG A 50 12.345 2.675 -11.025 1.00 0.00 C ATOM 700 CG ARG A 50 12.584 3.307 -9.662 1.00 0.00 C ATOM 701 CD ARG A 50 13.848 2.769 -9.003 1.00 0.00 C ATOM 702 NE ARG A 50 14.950 2.634 -9.954 1.00 0.00 N ATOM 703 CZ ARG A 50 15.514 1.474 -10.294 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.086 0.331 -9.770 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.511 1.459 -11.169 1.00 0.00 N ATOM 0 H ARG A 50 9.259 2.606 -10.233 1.00 0.00 H new ATOM 0 HA ARG A 50 10.973 1.438 -12.104 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.165 1.992 -11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.364 3.455 -11.786 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.663 4.389 -9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.727 3.114 -9.017 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.147 3.436 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.637 1.799 -8.553 1.00 0.00 H new ATOM 0 HE ARG A 50 15.312 3.484 -10.387 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.318 0.334 -9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.526 -0.549 -10.038 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.843 2.332 -11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.945 0.574 -11.432 1.00 0.00 H new ATOM 719 N MET A 51 9.955 -0.033 -10.159 1.00 0.00 N ATOM 720 CA MET A 51 9.768 -1.110 -9.195 1.00 0.00 C ATOM 721 C MET A 51 11.077 -1.846 -8.934 1.00 0.00 C ATOM 722 O MET A 51 11.603 -2.532 -9.812 1.00 0.00 O ATOM 723 CB MET A 51 8.705 -2.089 -9.692 1.00 0.00 C ATOM 724 CG MET A 51 7.936 -2.773 -8.574 1.00 0.00 C ATOM 725 SD MET A 51 6.432 -1.886 -8.122 1.00 0.00 S ATOM 726 CE MET A 51 7.116 -0.348 -7.510 1.00 0.00 C ATOM 0 H MET A 51 9.262 -0.012 -10.907 1.00 0.00 H new ATOM 0 HA MET A 51 9.433 -0.668 -8.257 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.002 -1.555 -10.331 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.184 -2.849 -10.310 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.677 -3.786 -8.883 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.578 -2.862 -7.698 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.320 0.258 -7.077 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.865 -0.561 -6.747 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.580 0.197 -8.332 1.00 0.00 H new ATOM 736 N ILE A 52 11.592 -1.704 -7.719 1.00 0.00 N ATOM 737 CA ILE A 52 12.837 -2.361 -7.337 1.00 0.00 C ATOM 738 C ILE A 52 12.648 -3.869 -7.267 1.00 0.00 C ATOM 739 O ILE A 52 11.526 -4.355 -7.123 1.00 0.00 O ATOM 740 CB ILE A 52 13.380 -1.858 -5.978 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.239 -1.478 -5.026 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.310 -0.673 -6.187 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.704 -1.160 -3.621 1.00 0.00 C ATOM 0 H ILE A 52 11.168 -1.141 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 52 13.566 -2.110 -8.107 1.00 0.00 H new ATOM 0 HB ILE A 52 13.941 -2.673 -5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.712 -0.613 -5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.522 -2.298 -4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.684 -0.330 -5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.148 -0.975 -6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.765 0.136 -6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.844 -0.900 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.205 -2.031 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.398 -0.320 -3.649 1.00 0.00 H new ATOM 755 N PRO A 53 13.745 -4.638 -7.362 1.00 0.00 N ATOM 756 CA PRO A 53 13.686 -6.099 -7.301 1.00 0.00 C ATOM 757 C PRO A 53 13.062 -6.582 -6.001 1.00 0.00 C ATOM 758 O PRO A 53 12.573 -7.704 -5.917 1.00 0.00 O ATOM 759 CB PRO A 53 15.155 -6.534 -7.385 1.00 0.00 C ATOM 760 CG PRO A 53 15.944 -5.313 -7.050 1.00 0.00 C ATOM 761 CD PRO A 53 15.123 -4.150 -7.524 1.00 0.00 C ATOM 0 HA PRO A 53 13.069 -6.516 -8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.367 -7.344 -6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.401 -6.901 -8.382 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.129 -5.249 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.917 -5.330 -7.541 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.308 -3.255 -6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.343 -3.895 -8.561 1.00 0.00 H new ATOM 769 N GLY A 54 13.087 -5.721 -4.989 1.00 0.00 N ATOM 770 CA GLY A 54 12.523 -6.072 -3.703 1.00 0.00 C ATOM 771 C GLY A 54 11.022 -6.260 -3.754 1.00 0.00 C ATOM 772 O GLY A 54 10.512 -7.350 -3.474 1.00 0.00 O ATOM 0 H GLY A 54 13.489 -4.785 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.988 -6.991 -3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.763 -5.292 -2.981 1.00 0.00 H new ATOM 776 N PHE A 55 10.308 -5.200 -4.115 1.00 0.00 N ATOM 777 CA PHE A 55 8.864 -5.264 -4.201 1.00 0.00 C ATOM 778 C PHE A 55 8.440 -6.131 -5.375 1.00 0.00 C ATOM 779 O PHE A 55 7.535 -6.958 -5.261 1.00 0.00 O ATOM 780 CB PHE A 55 8.256 -3.869 -4.356 1.00 0.00 C ATOM 781 CG PHE A 55 8.248 -3.040 -3.098 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.377 -3.326 -2.051 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.108 -1.962 -2.967 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.370 -2.555 -0.910 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.105 -1.188 -1.824 1.00 0.00 C ATOM 786 CZ PHE A 55 8.233 -1.484 -0.794 1.00 0.00 C ATOM 0 H PHE A 55 10.708 -4.292 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 55 8.498 -5.704 -3.273 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.809 -3.331 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.231 -3.972 -4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.699 -4.162 -2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.790 -1.724 -3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.689 -2.789 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.783 -0.352 -1.735 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.227 -0.878 0.100 1.00 0.00 H new ATOM 796 N GLU A 56 9.105 -5.936 -6.509 1.00 0.00 N ATOM 797 CA GLU A 56 8.803 -6.699 -7.713 1.00 0.00 C ATOM 798 C GLU A 56 8.876 -8.198 -7.444 1.00 0.00 C ATOM 799 O GLU A 56 8.309 -8.991 -8.190 1.00 0.00 O ATOM 800 CB GLU A 56 9.768 -6.322 -8.838 1.00 0.00 C ATOM 801 CG GLU A 56 9.145 -6.398 -10.222 1.00 0.00 C ATOM 802 CD GLU A 56 10.165 -6.697 -11.304 1.00 0.00 C ATOM 803 OE1 GLU A 56 11.045 -7.551 -11.071 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.085 -6.074 -12.383 1.00 0.00 O ATOM 0 H GLU A 56 9.857 -5.256 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 56 7.786 -6.455 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.134 -5.309 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.633 -6.984 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.376 -7.171 -10.229 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.649 -5.453 -10.446 1.00 0.00 H new ATOM 811 N ASP A 57 9.577 -8.583 -6.379 1.00 0.00 N ATOM 812 CA ASP A 57 9.710 -9.992 -6.026 1.00 0.00 C ATOM 813 C ASP A 57 8.469 -10.491 -5.291 1.00 0.00 C ATOM 814 O ASP A 57 7.655 -11.219 -5.858 1.00 0.00 O ATOM 815 CB ASP A 57 10.955 -10.219 -5.164 1.00 0.00 C ATOM 816 CG ASP A 57 11.680 -11.501 -5.523 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.524 -11.468 -6.444 1.00 0.00 O ATOM 818 OD2 ASP A 57 11.405 -12.538 -4.884 1.00 0.00 O ATOM 0 H ASP A 57 10.059 -7.941 -5.749 1.00 0.00 H new ATOM 0 HA ASP A 57 9.815 -10.558 -6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.635 -9.375 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.666 -10.250 -4.114 1.00 0.00 H new ATOM 823 N GLY A 58 8.339 -10.113 -4.020 1.00 0.00 N ATOM 824 CA GLY A 58 7.204 -10.558 -3.233 1.00 0.00 C ATOM 825 C GLY A 58 5.899 -9.998 -3.743 1.00 0.00 C ATOM 826 O GLY A 58 4.971 -10.741 -4.058 1.00 0.00 O ATOM 0 H GLY A 58 8.996 -9.510 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.160 -11.647 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.345 -10.258 -2.195 1.00 0.00 H new ATOM 830 N ILE A 59 5.838 -8.679 -3.834 1.00 0.00 N ATOM 831 CA ILE A 59 4.671 -7.976 -4.310 1.00 0.00 C ATOM 832 C ILE A 59 4.580 -8.051 -5.822 1.00 0.00 C ATOM 833 O ILE A 59 4.166 -7.107 -6.496 1.00 0.00 O ATOM 834 CB ILE A 59 4.720 -6.510 -3.855 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.158 -6.423 -2.389 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.367 -5.853 -4.046 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.649 -6.528 -2.173 1.00 0.00 C ATOM 0 H ILE A 59 6.610 -8.065 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 59 3.785 -8.451 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 59 5.450 -5.979 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.809 -5.477 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.666 -7.217 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.417 -4.814 -3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.091 -5.889 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.619 -6.383 -3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.868 -6.457 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.005 -7.485 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.151 -5.718 -2.702 1.00 0.00 H new ATOM 849 N LYS A 60 4.905 -9.230 -6.312 1.00 0.00 N ATOM 850 CA LYS A 60 4.794 -9.510 -7.730 1.00 0.00 C ATOM 851 C LYS A 60 3.385 -9.099 -8.140 1.00 0.00 C ATOM 852 O LYS A 60 3.170 -8.343 -9.088 1.00 0.00 O ATOM 853 CB LYS A 60 5.015 -10.999 -8.006 1.00 0.00 C ATOM 854 CG LYS A 60 6.422 -11.331 -8.470 1.00 0.00 C ATOM 855 CD LYS A 60 6.436 -11.845 -9.901 1.00 0.00 C ATOM 856 CE LYS A 60 7.465 -11.112 -10.746 1.00 0.00 C ATOM 857 NZ LYS A 60 6.905 -9.875 -11.357 1.00 0.00 N ATOM 0 H LYS A 60 5.248 -10.009 -5.750 1.00 0.00 H new ATOM 0 HA LYS A 60 5.548 -8.963 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.798 -11.564 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.305 -11.328 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.049 -10.442 -8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.855 -12.082 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.656 -12.913 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.447 -11.722 -10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.325 -10.854 -10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.826 -11.774 -11.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.639 -9.405 -11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.101 -10.123 -11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.584 -9.231 -10.606 1.00 0.00 H new ATOM 871 N GLY A 61 2.437 -9.666 -7.405 1.00 0.00 N ATOM 872 CA GLY A 61 1.033 -9.450 -7.646 1.00 0.00 C ATOM 873 C GLY A 61 0.420 -10.712 -8.188 1.00 0.00 C ATOM 874 O GLY A 61 -0.334 -10.708 -9.160 1.00 0.00 O ATOM 0 H GLY A 61 2.631 -10.291 -6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.535 -9.158 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.896 -8.633 -8.354 1.00 0.00 H new ATOM 878 N HIS A 62 0.786 -11.810 -7.545 1.00 0.00 N ATOM 879 CA HIS A 62 0.310 -13.132 -7.950 1.00 0.00 C ATOM 880 C HIS A 62 -0.380 -13.876 -6.811 1.00 0.00 C ATOM 881 O HIS A 62 -1.101 -14.846 -7.045 1.00 0.00 O ATOM 882 CB HIS A 62 1.470 -13.975 -8.493 1.00 0.00 C ATOM 883 CG HIS A 62 2.602 -14.182 -7.523 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.593 -15.121 -7.723 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.906 -13.570 -6.351 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.453 -15.078 -6.721 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.060 -14.146 -5.877 1.00 0.00 N ATOM 0 H HIS A 62 1.412 -11.816 -6.739 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.429 -12.975 -8.736 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.084 -14.949 -8.794 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.861 -13.496 -9.391 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.345 -12.777 -5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.329 -15.701 -6.612 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.536 -13.893 -5.011 1.00 0.00 H new ATOM 895 N LYS A 63 -0.156 -13.431 -5.584 1.00 0.00 N ATOM 896 CA LYS A 63 -0.762 -14.077 -4.428 1.00 0.00 C ATOM 897 C LYS A 63 -1.677 -13.111 -3.681 1.00 0.00 C ATOM 898 O LYS A 63 -1.291 -12.533 -2.667 1.00 0.00 O ATOM 899 CB LYS A 63 0.331 -14.607 -3.501 1.00 0.00 C ATOM 900 CG LYS A 63 1.321 -15.529 -4.198 1.00 0.00 C ATOM 901 CD LYS A 63 1.424 -16.878 -3.504 1.00 0.00 C ATOM 902 CE LYS A 63 0.091 -17.610 -3.499 1.00 0.00 C ATOM 903 NZ LYS A 63 -0.315 -18.035 -4.868 1.00 0.00 N ATOM 0 H LYS A 63 0.437 -12.631 -5.363 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.371 -14.912 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.872 -13.764 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.133 -15.144 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.014 -15.676 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.303 -15.057 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.173 -17.490 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.765 -16.735 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.160 -18.485 -2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.677 -16.962 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.165 -18.631 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.521 -17.195 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.457 -18.576 -5.307 1.00 0.00 H new ATOM 917 N ALA A 64 -2.903 -12.962 -4.178 1.00 0.00 N ATOM 918 CA ALA A 64 -3.886 -12.090 -3.548 1.00 0.00 C ATOM 919 C ALA A 64 -4.176 -12.531 -2.114 1.00 0.00 C ATOM 920 O ALA A 64 -4.968 -13.445 -1.888 1.00 0.00 O ATOM 921 CB ALA A 64 -5.169 -12.066 -4.367 1.00 0.00 C ATOM 0 H ALA A 64 -3.238 -13.436 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.472 -11.082 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.896 -11.411 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.954 -11.695 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.577 -13.074 -4.433 1.00 0.00 H new ATOM 927 N GLY A 65 -3.536 -11.879 -1.148 1.00 0.00 N ATOM 928 CA GLY A 65 -3.748 -12.228 0.249 1.00 0.00 C ATOM 929 C GLY A 65 -2.638 -13.104 0.794 1.00 0.00 C ATOM 930 O GLY A 65 -2.885 -14.010 1.591 1.00 0.00 O ATOM 0 H GLY A 65 -2.876 -11.117 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.815 -11.317 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.701 -12.746 0.352 1.00 0.00 H new ATOM 934 N GLU A 66 -1.415 -12.837 0.352 1.00 0.00 N ATOM 935 CA GLU A 66 -0.254 -13.608 0.784 1.00 0.00 C ATOM 936 C GLU A 66 0.511 -12.909 1.899 1.00 0.00 C ATOM 937 O GLU A 66 0.264 -11.744 2.203 1.00 0.00 O ATOM 938 CB GLU A 66 0.679 -13.842 -0.400 1.00 0.00 C ATOM 939 CG GLU A 66 1.400 -15.177 -0.354 1.00 0.00 C ATOM 940 CD GLU A 66 2.863 -15.066 -0.735 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.161 -15.069 -1.948 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.710 -14.972 0.178 1.00 0.00 O ATOM 0 H GLU A 66 -1.200 -12.089 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.617 -14.560 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.102 -13.782 -1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.418 -13.041 -0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.321 -15.593 0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.905 -15.876 -1.029 1.00 0.00 H new ATOM 949 N GLU A 67 1.455 -13.637 2.485 1.00 0.00 N ATOM 950 CA GLU A 67 2.297 -13.112 3.554 1.00 0.00 C ATOM 951 C GLU A 67 3.752 -13.503 3.306 1.00 0.00 C ATOM 952 O GLU A 67 4.139 -14.652 3.511 1.00 0.00 O ATOM 953 CB GLU A 67 1.828 -13.639 4.912 1.00 0.00 C ATOM 954 CG GLU A 67 1.804 -15.156 5.004 1.00 0.00 C ATOM 955 CD GLU A 67 0.994 -15.655 6.185 1.00 0.00 C ATOM 956 OE1 GLU A 67 -0.194 -15.282 6.289 1.00 0.00 O ATOM 957 OE2 GLU A 67 1.546 -16.416 7.005 1.00 0.00 O ATOM 0 H GLU A 67 1.658 -14.604 2.234 1.00 0.00 H new ATOM 0 HA GLU A 67 2.219 -12.025 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.483 -13.247 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.828 -13.256 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.388 -15.566 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.825 -15.528 5.085 1.00 0.00 H new ATOM 964 N PHE A 68 4.545 -12.547 2.831 1.00 0.00 N ATOM 965 CA PHE A 68 5.951 -12.799 2.518 1.00 0.00 C ATOM 966 C PHE A 68 6.849 -11.673 3.018 1.00 0.00 C ATOM 967 O PHE A 68 6.378 -10.599 3.380 1.00 0.00 O ATOM 968 CB PHE A 68 6.121 -12.949 1.015 1.00 0.00 C ATOM 969 CG PHE A 68 5.519 -11.805 0.274 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.224 -10.630 0.109 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.237 -11.895 -0.233 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.658 -9.561 -0.557 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.667 -10.832 -0.895 1.00 0.00 C ATOM 974 CZ PHE A 68 4.376 -9.664 -1.060 1.00 0.00 C ATOM 0 H PHE A 68 4.239 -11.590 2.654 1.00 0.00 H new ATOM 0 HA PHE A 68 6.246 -13.718 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.182 -13.020 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.657 -13.879 0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.226 -10.546 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.676 -12.810 -0.108 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.217 -8.646 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.663 -10.914 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.931 -8.830 -1.582 1.00 0.00 H new ATOM 984 N THR A 69 8.149 -11.925 3.025 1.00 0.00 N ATOM 985 CA THR A 69 9.118 -10.932 3.467 1.00 0.00 C ATOM 986 C THR A 69 10.171 -10.696 2.392 1.00 0.00 C ATOM 987 O THR A 69 10.821 -11.638 1.937 1.00 0.00 O ATOM 988 CB THR A 69 9.787 -11.398 4.764 1.00 0.00 C ATOM 989 OG1 THR A 69 8.818 -11.646 5.767 1.00 0.00 O ATOM 990 CG2 THR A 69 10.780 -10.403 5.323 1.00 0.00 C ATOM 0 H THR A 69 8.559 -12.811 2.729 1.00 0.00 H new ATOM 0 HA THR A 69 8.596 -9.993 3.651 1.00 0.00 H new ATOM 0 HB THR A 69 10.324 -12.308 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.265 -11.944 6.587 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.214 -10.799 6.241 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.571 -10.229 4.593 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.271 -9.463 5.538 1.00 0.00 H new ATOM 998 N ILE A 70 10.346 -9.439 1.980 1.00 0.00 N ATOM 999 CA ILE A 70 11.333 -9.122 0.958 1.00 0.00 C ATOM 1000 C ILE A 70 12.170 -7.928 1.375 1.00 0.00 C ATOM 1001 O ILE A 70 11.817 -7.200 2.303 1.00 0.00 O ATOM 1002 CB ILE A 70 10.681 -8.835 -0.415 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.895 -7.521 -0.384 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.774 -9.987 -0.830 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.681 -7.565 0.513 1.00 0.00 C ATOM 0 H ILE A 70 9.824 -8.638 2.335 1.00 0.00 H new ATOM 0 HA ILE A 70 11.970 -10.000 0.854 1.00 0.00 H new ATOM 0 HB ILE A 70 11.478 -8.738 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.555 -6.720 -0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.579 -7.272 -1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.325 -9.766 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.360 -10.903 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.988 -10.117 -0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.173 -6.601 0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.001 -8.343 0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.991 -7.783 1.535 1.00 0.00 H new ATOM 1017 N ASP A 71 13.264 -7.714 0.667 1.00 0.00 N ATOM 1018 CA ASP A 71 14.133 -6.587 0.941 1.00 0.00 C ATOM 1019 C ASP A 71 13.746 -5.434 0.037 1.00 0.00 C ATOM 1020 O ASP A 71 13.277 -5.653 -1.078 1.00 0.00 O ATOM 1021 CB ASP A 71 15.595 -6.969 0.707 1.00 0.00 C ATOM 1022 CG ASP A 71 15.815 -7.593 -0.657 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.357 -8.735 -0.868 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.444 -6.938 -1.515 1.00 0.00 O ATOM 0 H ASP A 71 13.571 -8.308 -0.103 1.00 0.00 H new ATOM 0 HA ASP A 71 14.021 -6.291 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.220 -6.081 0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.914 -7.668 1.480 1.00 0.00 H new ATOM 1029 N VAL A 72 13.952 -4.213 0.495 1.00 0.00 N ATOM 1030 CA VAL A 72 13.626 -3.050 -0.318 1.00 0.00 C ATOM 1031 C VAL A 72 14.617 -1.925 -0.079 1.00 0.00 C ATOM 1032 O VAL A 72 14.919 -1.581 1.062 1.00 0.00 O ATOM 1033 CB VAL A 72 12.203 -2.530 -0.046 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.178 -3.361 -0.802 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.908 -2.521 1.445 1.00 0.00 C ATOM 0 H VAL A 72 14.339 -3.999 1.414 1.00 0.00 H new ATOM 0 HA VAL A 72 13.682 -3.376 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 72 12.137 -1.503 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.178 -2.979 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.378 -3.300 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.242 -4.400 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.897 -2.150 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.993 -3.534 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.622 -1.873 1.953 1.00 0.00 H new ATOM 1045 N THR A 73 15.107 -1.337 -1.159 1.00 0.00 N ATOM 1046 CA THR A 73 16.052 -0.236 -1.079 1.00 0.00 C ATOM 1047 C THR A 73 15.857 0.654 -2.294 1.00 0.00 C ATOM 1048 O THR A 73 15.967 0.195 -3.431 1.00 0.00 O ATOM 1049 CB THR A 73 17.494 -0.751 -1.025 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.792 -1.279 0.254 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.522 0.318 -1.334 1.00 0.00 C ATOM 0 H THR A 73 14.862 -1.608 -2.111 1.00 0.00 H new ATOM 0 HA THR A 73 15.871 0.330 -0.165 1.00 0.00 H new ATOM 0 HB THR A 73 17.554 -1.523 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.962 -1.391 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.522 -0.112 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.350 0.709 -2.337 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.435 1.127 -0.609 1.00 0.00 H new ATOM 1059 N PHE A 74 15.550 1.919 -2.061 1.00 0.00 N ATOM 1060 CA PHE A 74 15.323 2.849 -3.153 1.00 0.00 C ATOM 1061 C PHE A 74 16.629 3.468 -3.655 1.00 0.00 C ATOM 1062 O PHE A 74 17.437 3.956 -2.866 1.00 0.00 O ATOM 1063 CB PHE A 74 14.334 3.920 -2.713 1.00 0.00 C ATOM 1064 CG PHE A 74 12.946 3.373 -2.525 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.700 2.359 -1.610 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.893 3.866 -3.270 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.423 1.850 -1.445 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.614 3.365 -3.110 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.378 2.357 -2.198 1.00 0.00 C ATOM 0 H PHE A 74 15.453 2.324 -1.130 1.00 0.00 H new ATOM 0 HA PHE A 74 14.898 2.298 -3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.676 4.365 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.310 4.717 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.513 1.963 -1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.071 4.654 -3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.243 1.060 -0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.800 3.763 -3.699 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.380 1.964 -2.072 1.00 0.00 H new ATOM 1079 N PRO A 75 16.853 3.447 -4.984 1.00 0.00 N ATOM 1080 CA PRO A 75 18.069 3.999 -5.596 1.00 0.00 C ATOM 1081 C PRO A 75 18.158 5.518 -5.488 1.00 0.00 C ATOM 1082 O PRO A 75 17.283 6.164 -4.910 1.00 0.00 O ATOM 1083 CB PRO A 75 17.947 3.593 -7.065 1.00 0.00 C ATOM 1084 CG PRO A 75 16.489 3.397 -7.289 1.00 0.00 C ATOM 1085 CD PRO A 75 15.942 2.874 -5.994 1.00 0.00 C ATOM 0 HA PRO A 75 18.963 3.626 -5.097 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.347 4.365 -7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.504 2.679 -7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.007 4.334 -7.567 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.310 2.693 -8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.912 3.194 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.946 1.784 -5.967 1.00 0.00 H new ATOM 1093 N GLU A 76 19.223 6.077 -6.054 1.00 0.00 N ATOM 1094 CA GLU A 76 19.440 7.520 -6.034 1.00 0.00 C ATOM 1095 C GLU A 76 18.555 8.232 -7.056 1.00 0.00 C ATOM 1096 O GLU A 76 18.471 9.460 -7.064 1.00 0.00 O ATOM 1097 CB GLU A 76 20.912 7.838 -6.308 1.00 0.00 C ATOM 1098 CG GLU A 76 21.815 7.612 -5.105 1.00 0.00 C ATOM 1099 CD GLU A 76 21.898 6.152 -4.705 1.00 0.00 C ATOM 1100 OE1 GLU A 76 22.294 5.326 -5.553 1.00 0.00 O ATOM 1101 OE2 GLU A 76 21.568 5.836 -3.543 1.00 0.00 O ATOM 0 H GLU A 76 19.952 5.550 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 76 19.171 7.883 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.261 7.220 -7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.998 8.877 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.815 7.980 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.444 8.195 -4.262 1.00 0.00 H new ATOM 1108 N GLU A 77 17.900 7.461 -7.920 1.00 0.00 N ATOM 1109 CA GLU A 77 17.030 8.032 -8.943 1.00 0.00 C ATOM 1110 C GLU A 77 15.601 8.178 -8.429 1.00 0.00 C ATOM 1111 O GLU A 77 14.889 9.109 -8.809 1.00 0.00 O ATOM 1112 CB GLU A 77 17.055 7.173 -10.210 1.00 0.00 C ATOM 1113 CG GLU A 77 16.794 5.696 -9.965 1.00 0.00 C ATOM 1114 CD GLU A 77 17.124 4.841 -11.172 1.00 0.00 C ATOM 1115 OE1 GLU A 77 18.306 4.476 -11.336 1.00 0.00 O ATOM 1116 OE2 GLU A 77 16.197 4.531 -11.952 1.00 0.00 O ATOM 0 H GLU A 77 17.955 6.443 -7.932 1.00 0.00 H new ATOM 0 HA GLU A 77 17.406 9.026 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.308 7.552 -10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.026 7.284 -10.692 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.387 5.362 -9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.746 5.555 -9.699 1.00 0.00 H new ATOM 1123 N TYR A 78 15.187 7.263 -7.557 1.00 0.00 N ATOM 1124 CA TYR A 78 13.844 7.309 -6.985 1.00 0.00 C ATOM 1125 C TYR A 78 13.700 8.527 -6.084 1.00 0.00 C ATOM 1126 O TYR A 78 12.994 9.481 -6.411 1.00 0.00 O ATOM 1127 CB TYR A 78 13.563 6.034 -6.184 1.00 0.00 C ATOM 1128 CG TYR A 78 12.094 5.697 -6.068 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.238 6.444 -5.264 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.567 4.621 -6.764 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.899 6.123 -5.162 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.230 4.294 -6.669 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.398 5.048 -5.867 1.00 0.00 C ATOM 1134 OH TYR A 78 8.065 4.725 -5.770 1.00 0.00 O ATOM 0 H TYR A 78 15.759 6.484 -7.232 1.00 0.00 H new ATOM 0 HA TYR A 78 13.122 7.380 -7.799 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.082 5.199 -6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.981 6.145 -5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.627 7.287 -4.712 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.215 4.027 -7.392 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.247 6.711 -4.533 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.837 3.452 -7.220 1.00 0.00 H new ATOM 0 HH TYR A 78 7.876 3.943 -6.330 1.00 0.00 H new ATOM 1144 N HIS A 79 14.398 8.484 -4.954 1.00 0.00 N ATOM 1145 CA HIS A 79 14.397 9.568 -3.978 1.00 0.00 C ATOM 1146 C HIS A 79 13.040 10.267 -3.861 1.00 0.00 C ATOM 1147 O HIS A 79 12.887 11.417 -4.276 1.00 0.00 O ATOM 1148 CB HIS A 79 15.488 10.577 -4.328 1.00 0.00 C ATOM 1149 CG HIS A 79 16.850 10.117 -3.914 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.953 10.944 -3.892 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.283 8.904 -3.491 1.00 0.00 C ATOM 1152 CE1 HIS A 79 19.005 10.262 -3.474 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.624 9.024 -3.222 1.00 0.00 N ATOM 0 H HIS A 79 14.983 7.692 -4.688 1.00 0.00 H new ATOM 0 HA HIS A 79 14.600 9.124 -3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.480 10.757 -5.403 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.267 11.528 -3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.685 8.011 -3.385 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.006 10.651 -3.358 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.229 8.276 -2.882 1.00 0.00 H new ATOM 1161 N ALA A 80 12.065 9.575 -3.272 1.00 0.00 N ATOM 1162 CA ALA A 80 10.737 10.146 -3.078 1.00 0.00 C ATOM 1163 C ALA A 80 10.727 11.057 -1.854 1.00 0.00 C ATOM 1164 O ALA A 80 11.444 10.822 -0.885 1.00 0.00 O ATOM 1165 CB ALA A 80 9.696 9.047 -2.930 1.00 0.00 C ATOM 0 H ALA A 80 12.171 8.622 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 80 10.485 10.739 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.713 9.494 -2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.687 8.431 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.942 8.427 -2.068 1.00 0.00 H new ATOM 1171 N GLU A 81 9.924 12.109 -1.909 1.00 0.00 N ATOM 1172 CA GLU A 81 9.836 13.068 -0.812 1.00 0.00 C ATOM 1173 C GLU A 81 9.534 12.401 0.531 1.00 0.00 C ATOM 1174 O GLU A 81 9.837 12.961 1.585 1.00 0.00 O ATOM 1175 CB GLU A 81 8.756 14.106 -1.117 1.00 0.00 C ATOM 1176 CG GLU A 81 7.358 13.514 -1.216 1.00 0.00 C ATOM 1177 CD GLU A 81 6.272 14.570 -1.190 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.257 15.386 -0.243 1.00 0.00 O ATOM 1179 OE2 GLU A 81 5.432 14.582 -2.115 1.00 0.00 O ATOM 0 H GLU A 81 9.321 12.323 -2.703 1.00 0.00 H new ATOM 0 HA GLU A 81 10.812 13.547 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.765 14.868 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.998 14.606 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.277 12.938 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.203 12.819 -0.391 1.00 0.00 H new ATOM 1186 N ASN A 82 8.905 11.229 0.502 1.00 0.00 N ATOM 1187 CA ASN A 82 8.539 10.541 1.738 1.00 0.00 C ATOM 1188 C ASN A 82 9.564 9.493 2.187 1.00 0.00 C ATOM 1189 O ASN A 82 9.791 9.328 3.386 1.00 0.00 O ATOM 1190 CB ASN A 82 7.162 9.891 1.592 1.00 0.00 C ATOM 1191 CG ASN A 82 7.072 8.970 0.392 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.454 9.304 -0.618 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.693 7.805 0.499 1.00 0.00 N ATOM 0 H ASN A 82 8.640 10.740 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 82 8.516 11.305 2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.934 9.326 2.496 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.405 10.670 1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.671 7.142 -0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.193 7.571 1.356 1.00 0.00 H new ATOM 1200 N LEU A 83 10.160 8.763 1.246 1.00 0.00 N ATOM 1201 CA LEU A 83 11.124 7.720 1.612 1.00 0.00 C ATOM 1202 C LEU A 83 12.384 7.736 0.746 1.00 0.00 C ATOM 1203 O LEU A 83 13.117 6.756 0.691 1.00 0.00 O ATOM 1204 CB LEU A 83 10.454 6.340 1.555 1.00 0.00 C ATOM 1205 CG LEU A 83 10.314 5.681 0.169 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.202 6.693 -0.966 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.476 4.751 -0.088 1.00 0.00 C ATOM 0 H LEU A 83 9.999 8.868 0.244 1.00 0.00 H new ATOM 0 HA LEU A 83 11.446 7.932 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.020 5.663 2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.458 6.430 1.988 1.00 0.00 H new ATOM 0 HG LEU A 83 9.381 5.117 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.106 6.166 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.325 7.320 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.095 7.317 -0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.364 4.292 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.408 5.315 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.495 3.973 0.675 1.00 0.00 H new ATOM 1219 N LYS A 84 12.631 8.850 0.081 1.00 0.00 N ATOM 1220 CA LYS A 84 13.806 9.000 -0.788 1.00 0.00 C ATOM 1221 C LYS A 84 15.019 8.199 -0.299 1.00 0.00 C ATOM 1222 O LYS A 84 15.439 8.323 0.851 1.00 0.00 O ATOM 1223 CB LYS A 84 14.188 10.478 -0.912 1.00 0.00 C ATOM 1224 CG LYS A 84 14.182 11.222 0.415 1.00 0.00 C ATOM 1225 CD LYS A 84 13.413 12.532 0.321 1.00 0.00 C ATOM 1226 CE LYS A 84 14.292 13.722 0.671 1.00 0.00 C ATOM 1227 NZ LYS A 84 13.974 14.916 -0.161 1.00 0.00 N ATOM 0 H LYS A 84 12.034 9.676 0.121 1.00 0.00 H new ATOM 0 HA LYS A 84 13.524 8.600 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.181 10.552 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.495 10.967 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.735 10.592 1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.208 11.423 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.021 12.653 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.556 12.501 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.163 13.970 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.339 13.452 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.596 15.704 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.121 14.689 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.982 15.190 -0.010 1.00 0.00 H new ATOM 1241 N GLY A 85 15.580 7.387 -1.200 1.00 0.00 N ATOM 1242 CA GLY A 85 16.750 6.576 -0.881 1.00 0.00 C ATOM 1243 C GLY A 85 16.640 5.852 0.447 1.00 0.00 C ATOM 1244 O GLY A 85 17.515 5.976 1.304 1.00 0.00 O ATOM 0 H GLY A 85 15.240 7.277 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.902 5.843 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.632 7.216 -0.865 1.00 0.00 H new ATOM 1248 N LYS A 86 15.562 5.096 0.623 1.00 0.00 N ATOM 1249 CA LYS A 86 15.345 4.357 1.861 1.00 0.00 C ATOM 1250 C LYS A 86 15.747 2.886 1.737 1.00 0.00 C ATOM 1251 O LYS A 86 14.935 2.041 1.359 1.00 0.00 O ATOM 1252 CB LYS A 86 13.881 4.465 2.280 1.00 0.00 C ATOM 1253 CG LYS A 86 13.649 4.217 3.754 1.00 0.00 C ATOM 1254 CD LYS A 86 13.437 2.743 4.025 1.00 0.00 C ATOM 1255 CE LYS A 86 12.190 2.220 3.333 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.509 1.524 2.055 1.00 0.00 N ATOM 0 H LYS A 86 14.827 4.979 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 86 15.982 4.804 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.512 5.459 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.294 3.750 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.504 4.577 4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.779 4.782 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.306 2.181 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.354 2.578 5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.667 1.533 3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.511 3.049 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.145 2.081 1.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.540 1.420 1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.065 0.584 2.052 1.00 0.00 H new ATOM 1270 N ALA A 87 16.995 2.581 2.086 1.00 0.00 N ATOM 1271 CA ALA A 87 17.492 1.207 2.045 1.00 0.00 C ATOM 1272 C ALA A 87 17.021 0.457 3.286 1.00 0.00 C ATOM 1273 O ALA A 87 17.583 0.629 4.365 1.00 0.00 O ATOM 1274 CB ALA A 87 19.012 1.200 1.967 1.00 0.00 C ATOM 0 H ALA A 87 17.681 3.267 2.401 1.00 0.00 H new ATOM 0 HA ALA A 87 17.100 0.710 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.370 0.171 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.332 1.722 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.424 1.702 2.843 1.00 0.00 H new ATOM 1280 N ALA A 88 15.961 -0.340 3.148 1.00 0.00 N ATOM 1281 CA ALA A 88 15.418 -1.052 4.304 1.00 0.00 C ATOM 1282 C ALA A 88 15.013 -2.494 4.019 1.00 0.00 C ATOM 1283 O ALA A 88 15.227 -3.036 2.936 1.00 0.00 O ATOM 1284 CB ALA A 88 14.219 -0.285 4.840 1.00 0.00 C ATOM 0 H ALA A 88 15.471 -0.506 2.269 1.00 0.00 H new ATOM 0 HA ALA A 88 16.221 -1.105 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.808 -0.809 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.531 0.716 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.458 -0.211 4.063 1.00 0.00 H new ATOM 1290 N LYS A 89 14.387 -3.082 5.034 1.00 0.00 N ATOM 1291 CA LYS A 89 13.876 -4.441 4.983 1.00 0.00 C ATOM 1292 C LYS A 89 12.398 -4.394 5.317 1.00 0.00 C ATOM 1293 O LYS A 89 12.003 -3.677 6.231 1.00 0.00 O ATOM 1294 CB LYS A 89 14.614 -5.336 5.979 1.00 0.00 C ATOM 1295 CG LYS A 89 15.992 -5.767 5.508 1.00 0.00 C ATOM 1296 CD LYS A 89 16.793 -6.389 6.638 1.00 0.00 C ATOM 1297 CE LYS A 89 17.507 -5.330 7.467 1.00 0.00 C ATOM 1298 NZ LYS A 89 18.941 -5.665 7.685 1.00 0.00 N ATOM 0 H LYS A 89 14.220 -2.618 5.927 1.00 0.00 H new ATOM 0 HA LYS A 89 14.030 -4.859 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 89 14.713 -4.806 6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.012 -6.224 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.892 -6.484 4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 89 16.529 -4.905 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 89 16.129 -6.968 7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.525 -7.084 6.226 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.432 -4.365 6.965 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.008 -5.227 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 19.389 -4.918 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 19.013 -6.573 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.424 -5.738 6.767 1.00 0.00 H new ATOM 1312 N PHE A 90 11.585 -5.175 4.616 1.00 0.00 N ATOM 1313 CA PHE A 90 10.148 -5.211 4.893 1.00 0.00 C ATOM 1314 C PHE A 90 9.612 -6.630 4.887 1.00 0.00 C ATOM 1315 O PHE A 90 10.126 -7.493 4.177 1.00 0.00 O ATOM 1316 CB PHE A 90 9.338 -4.460 3.828 1.00 0.00 C ATOM 1317 CG PHE A 90 9.598 -2.992 3.682 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.372 -2.290 4.584 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.026 -2.317 2.625 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.578 -0.932 4.430 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.221 -0.959 2.465 1.00 0.00 C ATOM 1322 CZ PHE A 90 10.000 -0.265 3.368 1.00 0.00 C ATOM 0 H PHE A 90 11.888 -5.787 3.859 1.00 0.00 H new ATOM 0 HA PHE A 90 10.037 -4.746 5.872 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.525 -4.934 2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.280 -4.596 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.821 -2.807 5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.418 -2.856 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.190 -0.394 5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.764 -0.441 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.157 0.796 3.245 1.00 0.00 H new ATOM 1332 N ALA A 91 8.526 -6.847 5.617 1.00 0.00 N ATOM 1333 CA ALA A 91 7.854 -8.131 5.640 1.00 0.00 C ATOM 1334 C ALA A 91 6.423 -7.822 5.245 1.00 0.00 C ATOM 1335 O ALA A 91 5.669 -7.207 5.998 1.00 0.00 O ATOM 1336 CB ALA A 91 7.930 -8.773 7.018 1.00 0.00 C ATOM 0 H ALA A 91 8.090 -6.138 6.207 1.00 0.00 H new ATOM 0 HA ALA A 91 8.317 -8.849 4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.416 -9.734 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.974 -8.924 7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.454 -8.121 7.750 1.00 0.00 H new ATOM 1342 N ILE A 92 6.105 -8.149 4.001 1.00 0.00 N ATOM 1343 CA ILE A 92 4.817 -7.800 3.424 1.00 0.00 C ATOM 1344 C ILE A 92 3.810 -8.939 3.334 1.00 0.00 C ATOM 1345 O ILE A 92 4.149 -10.117 3.394 1.00 0.00 O ATOM 1346 CB ILE A 92 5.037 -7.247 2.001 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.180 -6.218 1.984 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.753 -6.660 1.447 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.225 -5.366 0.736 1.00 0.00 C ATOM 0 H ILE A 92 6.725 -8.658 3.370 1.00 0.00 H new ATOM 0 HA ILE A 92 4.388 -7.066 4.106 1.00 0.00 H new ATOM 0 HB ILE A 92 5.329 -8.074 1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.081 -5.567 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.129 -6.744 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.932 -6.276 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.986 -7.434 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.417 -5.848 2.091 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.059 -4.667 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.357 -6.006 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.292 -4.810 0.641 1.00 0.00 H new ATOM 1361 N ASN A 93 2.556 -8.538 3.137 1.00 0.00 N ATOM 1362 CA ASN A 93 1.447 -9.458 2.970 1.00 0.00 C ATOM 1363 C ASN A 93 0.577 -8.978 1.808 1.00 0.00 C ATOM 1364 O ASN A 93 -0.164 -8.003 1.942 1.00 0.00 O ATOM 1365 CB ASN A 93 0.621 -9.545 4.252 1.00 0.00 C ATOM 1366 CG ASN A 93 1.442 -9.995 5.443 1.00 0.00 C ATOM 1367 OD1 ASN A 93 2.483 -10.633 5.289 1.00 0.00 O ATOM 1368 ND2 ASN A 93 0.976 -9.662 6.643 1.00 0.00 N ATOM 0 H ASN A 93 2.285 -7.556 3.089 1.00 0.00 H new ATOM 0 HA ASN A 93 1.833 -10.454 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.183 -8.570 4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.205 -10.240 4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.486 -9.936 7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.108 -9.132 6.724 1.00 0.00 H new ATOM 1375 N LEU A 94 0.686 -9.645 0.662 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.076 -9.258 -0.524 1.00 0.00 C ATOM 1377 C LEU A 94 -1.576 -9.391 -0.299 1.00 0.00 C ATOM 1378 O LEU A 94 -2.017 -10.148 0.563 1.00 0.00 O ATOM 1379 CB LEU A 94 0.341 -10.106 -1.728 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.076 -9.552 -3.093 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.724 -8.300 -3.427 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.103 -10.607 -4.176 1.00 0.00 C ATOM 0 H LEU A 94 1.293 -10.454 0.529 1.00 0.00 H new ATOM 0 HA LEU A 94 0.146 -8.210 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.425 -10.218 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.083 -11.103 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.132 -9.284 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.415 -7.920 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.544 -7.540 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.786 -8.543 -3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.199 -10.195 -5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.150 -10.908 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.514 -11.475 -3.944 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.356 -8.655 -1.091 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.806 -8.701 -0.987 1.00 0.00 C ATOM 1396 C LYS A 95 -4.464 -8.399 -2.343 1.00 0.00 C ATOM 1397 O LYS A 95 -4.415 -9.223 -3.254 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.305 -7.734 0.097 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.788 -8.056 1.490 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.197 -6.990 2.494 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.612 -7.213 3.000 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.583 -6.283 2.362 1.00 0.00 N ATOM 0 H LYS A 95 -2.004 -8.022 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.093 -9.711 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.004 -6.720 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.395 -7.750 0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.174 -9.025 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.701 -8.138 1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.504 -6.996 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.126 -6.006 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.911 -8.242 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.636 -7.078 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.516 -6.397 2.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.258 -5.303 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.654 -6.498 1.347 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.116 -7.247 -2.461 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.813 -6.901 -3.691 1.00 0.00 C ATOM 1418 C LYS A 96 -4.859 -6.531 -4.818 1.00 0.00 C ATOM 1419 O LYS A 96 -4.327 -5.422 -4.862 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.783 -5.746 -3.436 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.242 -6.172 -3.419 1.00 0.00 C ATOM 1422 CD LYS A 96 -9.030 -5.428 -2.353 1.00 0.00 C ATOM 1423 CE LYS A 96 -8.587 -5.823 -0.953 1.00 0.00 C ATOM 1424 NZ LYS A 96 -7.925 -4.696 -0.241 1.00 0.00 N ATOM 0 H LYS A 96 -5.175 -6.543 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.363 -7.787 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.538 -5.280 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.643 -4.988 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.687 -5.987 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.306 -7.245 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.901 -4.354 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.093 -5.638 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.452 -6.157 -0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.900 -6.667 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.958 -4.973 0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.888 -3.865 -0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.466 -4.461 0.616 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.676 -7.460 -5.752 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.825 -7.240 -6.911 1.00 0.00 C ATOM 1440 C VAL A 97 -4.684 -7.165 -8.174 1.00 0.00 C ATOM 1441 O VAL A 97 -5.191 -8.181 -8.648 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.775 -8.368 -7.060 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.416 -9.743 -6.880 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.061 -8.277 -8.405 1.00 0.00 C ATOM 0 H VAL A 97 -5.112 -8.382 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.294 -6.299 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.033 -8.236 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.656 -10.516 -6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.861 -9.810 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.190 -9.885 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.329 -9.081 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.789 -8.370 -9.211 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.554 -7.315 -8.483 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.862 -5.956 -8.700 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.682 -5.753 -9.893 1.00 0.00 C ATOM 1456 C GLU A 98 -4.932 -4.962 -10.969 1.00 0.00 C ATOM 1457 O GLU A 98 -3.852 -4.435 -10.717 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.973 -5.037 -9.505 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.741 -5.735 -8.393 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.122 -4.796 -7.267 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.305 -4.621 -6.337 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.235 -4.231 -7.314 1.00 0.00 O ATOM 0 H GLU A 98 -4.451 -5.103 -8.321 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.918 -6.729 -10.317 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.735 -4.021 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.613 -4.957 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.644 -6.184 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.135 -6.548 -7.993 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.509 -4.898 -12.173 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.885 -4.192 -13.300 1.00 0.00 C ATOM 1471 C GLU A 99 -5.334 -2.738 -13.397 1.00 0.00 C ATOM 1472 O GLU A 99 -6.240 -2.410 -14.161 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.209 -4.912 -14.612 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.300 -4.531 -15.772 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.560 -3.129 -16.290 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.568 -2.936 -17.002 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -3.751 -2.227 -15.990 1.00 0.00 O ATOM 0 H GLU A 99 -6.408 -5.326 -12.394 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.809 -4.195 -13.123 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.141 -5.988 -14.450 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.241 -4.696 -14.887 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.261 -4.608 -15.453 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.438 -5.244 -16.584 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.672 -1.872 -12.639 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.984 -0.446 -12.646 1.00 0.00 C ATOM 1486 C ARG A 100 -4.716 0.169 -14.017 1.00 0.00 C ATOM 1487 O ARG A 100 -3.723 -0.151 -14.669 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.152 0.281 -11.590 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.664 0.287 -11.902 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.094 1.695 -11.897 1.00 0.00 C ATOM 1491 NE ARG A 100 -0.959 1.821 -12.804 1.00 0.00 N ATOM 1492 CZ ARG A 100 -1.069 2.122 -14.095 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -2.264 2.347 -14.633 1.00 0.00 N ATOM 1494 NH2 ARG A 100 0.016 2.197 -14.852 1.00 0.00 N ATOM 0 H ARG A 100 -3.913 -2.133 -12.009 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.044 -0.334 -12.416 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.503 1.309 -11.504 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.312 -0.192 -10.621 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.136 -0.322 -11.168 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.495 -0.171 -12.877 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.871 2.403 -12.186 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.783 1.958 -10.886 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.024 1.669 -12.425 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.103 2.289 -14.055 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -2.342 2.577 -15.624 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.935 2.024 -14.445 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.068 2.428 -15.842 1.00 0.00 H new