USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 731 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 72 LYS NZ :NH3+ -176:sc= 0.201 (180deg=0.358) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.861 K(o=-0.88,f=0.6) USER MOD Set 1.3: A 93 GLN : amide:sc= -0.215 K(o=-0.88,f=-2.8) USER MOD Single : A 11 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.16) USER MOD Single : A 16 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.023) USER MOD Single : A 21 THR OG1 : rot -67:sc= 0.21! USER MOD Single : A 25 SER OG : rot 159:sc= -0.466 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 30 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= -1.13 (180deg=-1.28) USER MOD Single : A 34 ASN : amide:sc= -9.57! C(o=-9.6!,f=-6.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -2.55! K(o=-2.6!,f=-1.3) USER MOD Single : A 55 GLN : amide:sc= -5.52! C(o=-5.5!,f=-6.3!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.327 USER MOD Single : A 77 SER OG : rot 180:sc= -0.271 USER MOD Single : A 82 SER OG : rot 71:sc= -5.25! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -6.16! C(o=-6.2!,f=-3.8!) USER MOD Single : A 92 ASN : amide:sc= -0.841 X(o=-0.84,f=-1.3) USER MOD Single : A 96 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -5.032 -4.754 15.950 1.00 0.00 N ATOM 133 CA GLN A 11 -3.688 -4.210 15.777 1.00 0.00 C ATOM 134 C GLN A 11 -3.604 -3.354 14.515 1.00 0.00 C ATOM 135 O GLN A 11 -4.216 -3.674 13.495 1.00 0.00 O ATOM 136 CB GLN A 11 -2.665 -5.346 15.675 1.00 0.00 C ATOM 137 CG GLN A 11 -2.309 -5.855 17.072 1.00 0.00 C ATOM 138 CD GLN A 11 -1.163 -5.030 17.648 1.00 0.00 C ATOM 139 OE1 GLN A 11 -1.231 -4.582 18.792 1.00 0.00 O ATOM 140 NE2 GLN A 11 -0.105 -4.806 16.919 1.00 0.00 N ATOM 0 HA GLN A 11 -3.466 -3.589 16.645 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.072 -6.160 15.075 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.767 -4.994 15.167 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.179 -5.790 17.725 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.024 -6.906 17.024 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.051 -5.178 15.971 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.668 -4.259 17.297 1.00 0.00 H new ATOM 149 N PRO A 12 -2.849 -2.285 14.562 1.00 0.00 N ATOM 150 CA PRO A 12 -2.671 -1.379 13.395 1.00 0.00 C ATOM 151 C PRO A 12 -2.201 -2.145 12.162 1.00 0.00 C ATOM 152 O PRO A 12 -1.587 -3.204 12.280 1.00 0.00 O ATOM 153 CB PRO A 12 -1.596 -0.373 13.827 1.00 0.00 C ATOM 154 CG PRO A 12 -1.173 -0.733 15.219 1.00 0.00 C ATOM 155 CD PRO A 12 -2.096 -1.834 15.737 1.00 0.00 C ATOM 0 HA PRO A 12 -3.610 -0.898 13.123 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.745 -0.407 13.147 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.988 0.644 13.797 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.138 -1.073 15.224 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.224 0.141 15.868 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.526 -2.652 16.178 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.763 -1.457 16.512 1.00 0.00 H new ATOM 163 N LEU A 13 -2.479 -1.605 10.980 1.00 0.00 N ATOM 164 CA LEU A 13 -2.057 -2.259 9.751 1.00 0.00 C ATOM 165 C LEU A 13 -0.665 -1.787 9.371 1.00 0.00 C ATOM 166 O LEU A 13 -0.409 -0.586 9.286 1.00 0.00 O ATOM 167 CB LEU A 13 -3.031 -1.948 8.615 1.00 0.00 C ATOM 168 CG LEU A 13 -2.804 -2.928 7.464 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.920 -2.764 6.436 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.458 -2.636 6.800 1.00 0.00 C ATOM 0 H LEU A 13 -2.987 -0.730 10.849 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.045 -3.336 9.917 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.058 -2.022 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.887 -0.925 8.269 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.805 -3.948 7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.762 -3.461 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.881 -2.970 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.915 -1.744 6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.298 -3.336 5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.456 -1.617 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.659 -2.747 7.533 1.00 0.00 H new ATOM 182 N LEU A 14 0.236 -2.734 9.148 1.00 0.00 N ATOM 183 CA LEU A 14 1.592 -2.393 8.789 1.00 0.00 C ATOM 184 C LEU A 14 1.772 -2.466 7.279 1.00 0.00 C ATOM 185 O LEU A 14 1.682 -3.535 6.673 1.00 0.00 O ATOM 186 CB LEU A 14 2.540 -3.345 9.510 1.00 0.00 C ATOM 187 CG LEU A 14 2.251 -3.272 11.012 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.292 -4.081 11.786 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.294 -1.809 11.463 1.00 0.00 C ATOM 0 H LEU A 14 0.048 -3.735 9.210 1.00 0.00 H new ATOM 0 HA LEU A 14 1.816 -1.371 9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.403 -4.364 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.576 -3.072 9.310 1.00 0.00 H new ATOM 0 HG LEU A 14 1.263 -3.688 11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.078 -4.023 12.853 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.256 -5.122 11.465 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.285 -3.676 11.593 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.089 -1.752 12.532 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.282 -1.395 11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.542 -1.238 10.918 1.00 0.00 H new ATOM 201 N LEU A 15 2.004 -1.304 6.683 1.00 0.00 N ATOM 202 CA LEU A 15 2.174 -1.197 5.241 1.00 0.00 C ATOM 203 C LEU A 15 3.480 -0.466 4.931 1.00 0.00 C ATOM 204 O LEU A 15 3.758 0.582 5.514 1.00 0.00 O ATOM 205 CB LEU A 15 0.972 -0.424 4.675 1.00 0.00 C ATOM 206 CG LEU A 15 0.874 -0.588 3.159 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.085 0.065 2.498 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.813 -2.077 2.800 1.00 0.00 C ATOM 0 H LEU A 15 2.079 -0.417 7.181 1.00 0.00 H new ATOM 0 HA LEU A 15 2.222 -2.186 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.054 -0.781 5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.066 0.633 4.924 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.034 -0.104 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.016 -0.051 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.108 1.126 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.997 -0.412 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.743 -2.188 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.714 -2.575 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.062 -2.529 3.268 1.00 0.00 H new ATOM 220 N GLN A 16 4.285 -1.016 4.022 1.00 0.00 N ATOM 221 CA GLN A 16 5.554 -0.380 3.681 1.00 0.00 C ATOM 222 C GLN A 16 5.720 -0.228 2.176 1.00 0.00 C ATOM 223 O GLN A 16 5.304 -1.087 1.398 1.00 0.00 O ATOM 224 CB GLN A 16 6.717 -1.192 4.252 1.00 0.00 C ATOM 225 CG GLN A 16 6.844 -0.905 5.748 1.00 0.00 C ATOM 226 CD GLN A 16 8.019 -1.678 6.333 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.363 -1.496 7.501 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.659 -2.539 5.589 1.00 0.00 N ATOM 0 H GLN A 16 4.086 -1.881 3.519 1.00 0.00 H new ATOM 0 HA GLN A 16 5.554 0.617 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.549 -2.256 4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.643 -0.932 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.985 0.164 5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.923 -1.186 6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.373 -2.689 4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.445 -3.062 5.975 1.00 0.00 H new ATOM 237 N LEU A 17 6.334 0.882 1.781 1.00 0.00 N ATOM 238 CA LEU A 17 6.562 1.170 0.372 1.00 0.00 C ATOM 239 C LEU A 17 8.054 1.306 0.081 1.00 0.00 C ATOM 240 O LEU A 17 8.763 2.034 0.773 1.00 0.00 O ATOM 241 CB LEU A 17 5.850 2.469 -0.003 1.00 0.00 C ATOM 242 CG LEU A 17 6.028 2.742 -1.496 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.129 1.802 -2.300 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.644 4.192 -1.793 1.00 0.00 C ATOM 0 H LEU A 17 6.683 1.597 2.419 1.00 0.00 H new ATOM 0 HA LEU A 17 6.167 0.344 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.790 2.397 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.254 3.297 0.579 1.00 0.00 H new ATOM 0 HG LEU A 17 7.068 2.573 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.257 1.998 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.400 0.768 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.088 1.969 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.770 4.391 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.604 4.357 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.285 4.863 -1.220 1.00 0.00 H new ATOM 256 N PHE A 18 8.521 0.617 -0.953 1.00 0.00 N ATOM 257 CA PHE A 18 9.928 0.693 -1.330 1.00 0.00 C ATOM 258 C PHE A 18 10.091 1.620 -2.528 1.00 0.00 C ATOM 259 O PHE A 18 9.504 1.385 -3.584 1.00 0.00 O ATOM 260 CB PHE A 18 10.450 -0.700 -1.685 1.00 0.00 C ATOM 261 CG PHE A 18 10.507 -1.554 -0.443 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.364 -2.232 -0.001 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.707 -1.671 0.264 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.425 -3.027 1.151 1.00 0.00 C ATOM 265 CE2 PHE A 18 11.771 -2.464 1.413 1.00 0.00 C ATOM 266 CZ PHE A 18 10.629 -3.143 1.857 1.00 0.00 C ATOM 0 H PHE A 18 7.954 0.006 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 18 10.499 1.085 -0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.800 -1.164 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.441 -0.624 -2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.437 -2.142 -0.547 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.587 -1.147 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.545 -3.550 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.699 -2.553 1.958 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.677 -3.756 2.745 1.00 0.00 H new ATOM 276 N VAL A 19 10.874 2.682 -2.365 1.00 0.00 N ATOM 277 CA VAL A 19 11.068 3.628 -3.463 1.00 0.00 C ATOM 278 C VAL A 19 12.538 4.003 -3.639 1.00 0.00 C ATOM 279 O VAL A 19 13.345 3.864 -2.720 1.00 0.00 O ATOM 280 CB VAL A 19 10.252 4.891 -3.198 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.821 4.501 -2.818 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.886 5.677 -2.049 1.00 0.00 C ATOM 0 H VAL A 19 11.375 2.908 -1.506 1.00 0.00 H new ATOM 0 HA VAL A 19 10.733 3.145 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 19 10.236 5.509 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.237 5.401 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.368 3.940 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.838 3.884 -1.920 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.303 6.579 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.901 5.060 -1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.906 5.953 -2.316 1.00 0.00 H new ATOM 292 N ASP A 20 12.868 4.491 -4.835 1.00 0.00 N ATOM 293 CA ASP A 20 14.232 4.903 -5.146 1.00 0.00 C ATOM 294 C ASP A 20 14.373 6.421 -5.027 1.00 0.00 C ATOM 295 O ASP A 20 15.333 7.003 -5.527 1.00 0.00 O ATOM 296 CB ASP A 20 14.606 4.461 -6.561 1.00 0.00 C ATOM 297 CG ASP A 20 13.762 5.217 -7.579 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.125 6.181 -7.189 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.766 4.822 -8.733 1.00 0.00 O ATOM 0 H ASP A 20 12.207 4.610 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 20 14.906 4.429 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.664 4.648 -6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.449 3.388 -6.670 1.00 0.00 H new ATOM 304 N THR A 21 13.408 7.046 -4.359 1.00 0.00 N ATOM 305 CA THR A 21 13.415 8.496 -4.166 1.00 0.00 C ATOM 306 C THR A 21 12.979 9.242 -5.430 1.00 0.00 C ATOM 307 O THR A 21 13.019 10.472 -5.469 1.00 0.00 O ATOM 308 CB THR A 21 14.817 8.970 -3.765 1.00 0.00 C ATOM 309 OG1 THR A 21 15.629 9.092 -4.925 1.00 0.00 O ATOM 310 CG2 THR A 21 15.449 7.958 -2.808 1.00 0.00 C ATOM 0 H THR A 21 12.608 6.571 -3.940 1.00 0.00 H new ATOM 0 HA THR A 21 12.702 8.718 -3.372 1.00 0.00 H new ATOM 0 HB THR A 21 14.740 9.938 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.788 8.204 -5.308 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.445 8.298 -2.525 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.830 7.865 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.523 6.988 -3.300 1.00 0.00 H new ATOM 318 N ARG A 22 12.551 8.508 -6.455 1.00 0.00 N ATOM 319 CA ARG A 22 12.103 9.148 -7.692 1.00 0.00 C ATOM 320 C ARG A 22 10.734 9.796 -7.484 1.00 0.00 C ATOM 321 O ARG A 22 9.909 9.290 -6.725 1.00 0.00 O ATOM 322 CB ARG A 22 12.030 8.124 -8.828 1.00 0.00 C ATOM 323 CG ARG A 22 10.885 7.146 -8.570 1.00 0.00 C ATOM 324 CD ARG A 22 10.867 6.085 -9.670 1.00 0.00 C ATOM 325 NE ARG A 22 10.171 4.892 -9.206 1.00 0.00 N ATOM 326 CZ ARG A 22 10.833 3.886 -8.646 1.00 0.00 C ATOM 327 NH1 ARG A 22 11.648 3.164 -9.365 1.00 0.00 N ATOM 328 NH2 ARG A 22 10.670 3.620 -7.379 1.00 0.00 N ATOM 0 H ARG A 22 12.505 7.489 -6.457 1.00 0.00 H new ATOM 0 HA ARG A 22 12.823 9.920 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.878 8.633 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.973 7.583 -8.903 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.008 6.673 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.935 7.679 -8.548 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.374 6.480 -10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.887 5.831 -9.957 1.00 0.00 H new ATOM 0 HE ARG A 22 9.159 4.828 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.776 3.373 -10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.157 2.391 -8.937 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.033 4.185 -6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.179 2.847 -6.951 1.00 0.00 H new ATOM 342 N PRO A 23 10.489 10.908 -8.131 1.00 0.00 N ATOM 343 CA PRO A 23 9.201 11.649 -8.005 1.00 0.00 C ATOM 344 C PRO A 23 7.985 10.758 -8.234 1.00 0.00 C ATOM 345 O PRO A 23 6.961 10.910 -7.568 1.00 0.00 O ATOM 346 CB PRO A 23 9.258 12.733 -9.089 1.00 0.00 C ATOM 347 CG PRO A 23 10.554 12.569 -9.818 1.00 0.00 C ATOM 348 CD PRO A 23 11.419 11.575 -9.043 1.00 0.00 C ATOM 0 HA PRO A 23 9.090 12.050 -6.997 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.417 12.634 -9.775 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.191 13.725 -8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.377 12.208 -10.831 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.064 13.528 -9.906 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.898 10.861 -9.712 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.214 12.083 -8.497 1.00 0.00 H new ATOM 356 N LEU A 24 8.097 9.837 -9.185 1.00 0.00 N ATOM 357 CA LEU A 24 6.987 8.944 -9.491 1.00 0.00 C ATOM 358 C LEU A 24 6.529 8.220 -8.228 1.00 0.00 C ATOM 359 O LEU A 24 5.333 8.098 -7.968 1.00 0.00 O ATOM 360 CB LEU A 24 7.416 7.916 -10.537 1.00 0.00 C ATOM 361 CG LEU A 24 6.222 7.037 -10.907 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.303 7.793 -11.869 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.726 5.762 -11.580 1.00 0.00 C ATOM 0 H LEU A 24 8.933 9.690 -9.750 1.00 0.00 H new ATOM 0 HA LEU A 24 6.162 9.538 -9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.798 8.422 -11.424 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.227 7.301 -10.147 1.00 0.00 H new ATOM 0 HG LEU A 24 5.665 6.781 -10.005 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.453 7.163 -12.131 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.945 8.704 -11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.855 8.051 -12.773 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.878 5.131 -11.846 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.282 6.021 -12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.379 5.222 -10.894 1.00 0.00 H new ATOM 375 N SER A 25 7.492 7.752 -7.439 1.00 0.00 N ATOM 376 CA SER A 25 7.175 7.056 -6.199 1.00 0.00 C ATOM 377 C SER A 25 6.475 8.010 -5.246 1.00 0.00 C ATOM 378 O SER A 25 5.467 7.664 -4.628 1.00 0.00 O ATOM 379 CB SER A 25 8.452 6.528 -5.550 1.00 0.00 C ATOM 380 OG SER A 25 9.184 5.767 -6.502 1.00 0.00 O ATOM 0 H SER A 25 8.489 7.841 -7.635 1.00 0.00 H new ATOM 0 HA SER A 25 6.518 6.215 -6.422 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.059 7.358 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.206 5.911 -4.686 1.00 0.00 H new ATOM 0 HG SER A 25 10.123 5.713 -6.225 1.00 0.00 H new ATOM 386 N GLN A 26 6.998 9.229 -5.160 1.00 0.00 N ATOM 387 CA GLN A 26 6.393 10.245 -4.315 1.00 0.00 C ATOM 388 C GLN A 26 5.008 10.536 -4.863 1.00 0.00 C ATOM 389 O GLN A 26 4.063 10.809 -4.123 1.00 0.00 O ATOM 390 CB GLN A 26 7.247 11.517 -4.334 1.00 0.00 C ATOM 391 CG GLN A 26 8.619 11.221 -3.723 1.00 0.00 C ATOM 392 CD GLN A 26 9.497 12.467 -3.796 1.00 0.00 C ATOM 393 OE1 GLN A 26 9.121 13.456 -4.424 1.00 0.00 O ATOM 394 NE2 GLN A 26 10.655 12.474 -3.194 1.00 0.00 N ATOM 0 H GLN A 26 7.832 9.533 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 26 6.327 9.897 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.362 11.875 -5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.751 12.309 -3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.505 10.906 -2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.095 10.398 -4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.964 11.653 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.251 13.301 -3.243 1.00 0.00 H new ATOM 403 N HIS A 27 4.913 10.438 -6.182 1.00 0.00 N ATOM 404 CA HIS A 27 3.664 10.648 -6.890 1.00 0.00 C ATOM 405 C HIS A 27 2.672 9.573 -6.467 1.00 0.00 C ATOM 406 O HIS A 27 1.569 9.857 -5.992 1.00 0.00 O ATOM 407 CB HIS A 27 3.951 10.517 -8.384 1.00 0.00 C ATOM 408 CG HIS A 27 3.061 11.414 -9.187 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.718 11.601 -8.901 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.325 12.180 -10.289 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.227 12.453 -9.821 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.167 12.837 -10.692 1.00 0.00 N ATOM 0 H HIS A 27 5.701 10.211 -6.788 1.00 0.00 H new ATOM 0 HA HIS A 27 3.247 11.630 -6.667 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.994 10.765 -8.580 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.806 9.483 -8.696 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.287 12.262 -10.773 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.200 12.786 -9.852 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.058 13.474 -11.481 1.00 0.00 H new ATOM 420 N ILE A 28 3.102 8.327 -6.633 1.00 0.00 N ATOM 421 CA ILE A 28 2.293 7.177 -6.266 1.00 0.00 C ATOM 422 C ILE A 28 2.054 7.147 -4.762 1.00 0.00 C ATOM 423 O ILE A 28 0.993 6.722 -4.303 1.00 0.00 O ATOM 424 CB ILE A 28 2.995 5.894 -6.708 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.070 5.866 -8.236 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.211 4.679 -6.208 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.910 4.671 -8.683 1.00 0.00 C ATOM 0 H ILE A 28 4.014 8.090 -7.023 1.00 0.00 H new ATOM 0 HA ILE A 28 1.328 7.253 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 28 4.002 5.864 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.068 5.798 -8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.510 6.792 -8.606 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.714 3.766 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.156 4.704 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.203 4.700 -6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.964 4.651 -9.771 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.916 4.759 -8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.451 3.749 -8.325 1.00 0.00 H new ATOM 439 N VAL A 29 3.042 7.602 -3.995 1.00 0.00 N ATOM 440 CA VAL A 29 2.902 7.616 -2.545 1.00 0.00 C ATOM 441 C VAL A 29 1.663 8.405 -2.163 1.00 0.00 C ATOM 442 O VAL A 29 0.868 7.965 -1.332 1.00 0.00 O ATOM 443 CB VAL A 29 4.135 8.235 -1.889 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.866 8.430 -0.396 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.335 7.301 -2.071 1.00 0.00 C ATOM 0 H VAL A 29 3.931 7.959 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 29 2.805 6.589 -2.193 1.00 0.00 H new ATOM 0 HB VAL A 29 4.351 9.197 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.743 8.872 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.010 9.092 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.653 7.465 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.214 7.743 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.121 6.339 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.525 7.155 -3.134 1.00 0.00 H new ATOM 455 N GLN A 30 1.485 9.561 -2.794 1.00 0.00 N ATOM 456 CA GLN A 30 0.311 10.372 -2.517 1.00 0.00 C ATOM 457 C GLN A 30 -0.925 9.557 -2.849 1.00 0.00 C ATOM 458 O GLN A 30 -1.893 9.533 -2.091 1.00 0.00 O ATOM 459 CB GLN A 30 0.321 11.650 -3.358 1.00 0.00 C ATOM 460 CG GLN A 30 1.523 12.512 -2.977 1.00 0.00 C ATOM 461 CD GLN A 30 1.454 12.878 -1.498 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.774 12.056 -0.639 1.00 0.00 O ATOM 463 NE2 GLN A 30 1.052 14.069 -1.147 1.00 0.00 N ATOM 0 H GLN A 30 2.126 9.949 -3.486 1.00 0.00 H new ATOM 0 HA GLN A 30 0.311 10.657 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.364 11.398 -4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.602 12.207 -3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.448 11.973 -3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.539 13.417 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.787 14.749 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.003 14.320 -0.160 1.00 0.00 H new ATOM 472 N ARG A 31 -0.871 8.862 -3.982 1.00 0.00 N ATOM 473 CA ARG A 31 -1.986 8.024 -4.392 1.00 0.00 C ATOM 474 C ARG A 31 -2.201 6.925 -3.363 1.00 0.00 C ATOM 475 O ARG A 31 -3.333 6.613 -2.999 1.00 0.00 O ATOM 476 CB ARG A 31 -1.706 7.403 -5.759 1.00 0.00 C ATOM 477 CG ARG A 31 -1.613 8.512 -6.806 1.00 0.00 C ATOM 478 CD ARG A 31 -1.499 7.891 -8.195 1.00 0.00 C ATOM 479 NE ARG A 31 -1.165 8.912 -9.181 1.00 0.00 N ATOM 480 CZ ARG A 31 -2.074 9.364 -10.040 1.00 0.00 C ATOM 481 NH1 ARG A 31 -3.130 9.991 -9.602 1.00 0.00 N ATOM 482 NH2 ARG A 31 -1.909 9.179 -11.322 1.00 0.00 N ATOM 0 H ARG A 31 -0.077 8.864 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.884 8.638 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.776 6.835 -5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.499 6.703 -6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.494 9.152 -6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.748 9.144 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.734 7.115 -8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.440 7.410 -8.464 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.217 9.286 -9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.259 10.135 -8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.827 10.338 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.083 8.688 -11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.606 9.526 -11.981 1.00 0.00 H new ATOM 496 N VAL A 32 -1.104 6.356 -2.877 1.00 0.00 N ATOM 497 CA VAL A 32 -1.196 5.310 -1.871 1.00 0.00 C ATOM 498 C VAL A 32 -1.792 5.889 -0.594 1.00 0.00 C ATOM 499 O VAL A 32 -2.769 5.368 -0.058 1.00 0.00 O ATOM 500 CB VAL A 32 0.196 4.739 -1.584 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.105 3.683 -0.479 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.757 4.098 -2.859 1.00 0.00 C ATOM 0 H VAL A 32 -0.154 6.598 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.837 4.509 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 32 0.855 5.544 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.098 3.280 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.292 4.139 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.556 2.877 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.748 3.691 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.095 3.296 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.828 4.851 -3.644 1.00 0.00 H new ATOM 512 N LYS A 33 -1.204 6.984 -0.122 1.00 0.00 N ATOM 513 CA LYS A 33 -1.689 7.642 1.081 1.00 0.00 C ATOM 514 C LYS A 33 -3.115 8.151 0.890 1.00 0.00 C ATOM 515 O LYS A 33 -3.954 8.025 1.782 1.00 0.00 O ATOM 516 CB LYS A 33 -0.776 8.810 1.430 1.00 0.00 C ATOM 517 CG LYS A 33 0.584 8.276 1.876 1.00 0.00 C ATOM 518 CD LYS A 33 1.436 9.436 2.384 1.00 0.00 C ATOM 519 CE LYS A 33 2.802 8.912 2.832 1.00 0.00 C ATOM 520 NZ LYS A 33 2.623 8.010 4.004 1.00 0.00 N ATOM 0 H LYS A 33 -0.395 7.431 -0.554 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.687 6.915 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.657 9.463 0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.222 9.410 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.456 7.532 2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.084 7.779 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.561 10.180 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.935 9.932 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.284 8.375 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.455 9.744 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.527 7.547 4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.307 8.565 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.910 7.287 3.780 1.00 0.00 H new ATOM 534 N ASN A 34 -3.377 8.738 -0.274 1.00 0.00 N ATOM 535 CA ASN A 34 -4.697 9.276 -0.568 1.00 0.00 C ATOM 536 C ASN A 34 -5.757 8.177 -0.549 1.00 0.00 C ATOM 537 O ASN A 34 -6.830 8.350 0.029 1.00 0.00 O ATOM 538 CB ASN A 34 -4.675 9.949 -1.941 1.00 0.00 C ATOM 539 CG ASN A 34 -3.721 11.141 -1.924 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.690 11.899 -0.955 1.00 0.00 O ATOM 541 ND2 ASN A 34 -2.932 11.351 -2.946 1.00 0.00 N ATOM 0 H ASN A 34 -2.695 8.852 -1.024 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.952 10.006 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.362 9.233 -2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.678 10.280 -2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.290 12.144 -2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.959 10.722 -3.749 1.00 0.00 H new ATOM 548 N ILE A 35 -5.450 7.046 -1.175 1.00 0.00 N ATOM 549 CA ILE A 35 -6.389 5.927 -1.213 1.00 0.00 C ATOM 550 C ILE A 35 -6.559 5.317 0.174 1.00 0.00 C ATOM 551 O ILE A 35 -7.681 5.088 0.626 1.00 0.00 O ATOM 552 CB ILE A 35 -5.894 4.857 -2.183 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.863 5.432 -3.600 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.839 3.651 -2.141 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.038 4.516 -4.503 1.00 0.00 C ATOM 0 H ILE A 35 -4.568 6.879 -1.659 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.354 6.305 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.891 4.541 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.877 5.526 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.432 6.433 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.485 2.887 -2.834 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.862 3.242 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.842 3.965 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.015 4.925 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.021 4.445 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.488 3.524 -4.523 1.00 0.00 H new ATOM 567 N LEU A 36 -5.442 5.068 0.853 1.00 0.00 N ATOM 568 CA LEU A 36 -5.500 4.499 2.191 1.00 0.00 C ATOM 569 C LEU A 36 -6.295 5.422 3.097 1.00 0.00 C ATOM 570 O LEU A 36 -7.079 4.974 3.931 1.00 0.00 O ATOM 571 CB LEU A 36 -4.089 4.322 2.752 1.00 0.00 C ATOM 572 CG LEU A 36 -3.338 3.274 1.934 1.00 0.00 C ATOM 573 CD1 LEU A 36 -1.867 3.271 2.348 1.00 0.00 C ATOM 574 CD2 LEU A 36 -3.945 1.894 2.200 1.00 0.00 C ATOM 0 H LEU A 36 -4.501 5.249 0.503 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.985 3.524 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.554 5.271 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.138 4.015 3.797 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.418 3.509 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.327 2.524 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.435 4.255 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.788 3.032 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.411 1.143 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.861 1.658 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.996 1.897 1.911 1.00 0.00 H new ATOM 586 N ALA A 37 -6.100 6.720 2.906 1.00 0.00 N ATOM 587 CA ALA A 37 -6.817 7.709 3.688 1.00 0.00 C ATOM 588 C ALA A 37 -8.291 7.673 3.314 1.00 0.00 C ATOM 589 O ALA A 37 -9.144 8.188 4.039 1.00 0.00 O ATOM 590 CB ALA A 37 -6.252 9.106 3.421 1.00 0.00 C ATOM 0 H ALA A 37 -5.454 7.108 2.219 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.701 7.480 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.799 9.839 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.198 9.131 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.357 9.345 2.363 1.00 0.00 H new ATOM 596 N ALA A 38 -8.581 7.063 2.166 1.00 0.00 N ATOM 597 CA ALA A 38 -9.954 6.968 1.693 1.00 0.00 C ATOM 598 C ALA A 38 -10.680 5.801 2.354 1.00 0.00 C ATOM 599 O ALA A 38 -11.908 5.716 2.306 1.00 0.00 O ATOM 600 CB ALA A 38 -9.973 6.788 0.175 1.00 0.00 C ATOM 0 H ALA A 38 -7.888 6.632 1.554 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.468 7.892 1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.005 6.718 -0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.489 7.642 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.439 5.876 -0.090 1.00 0.00 H new ATOM 606 N VAL A 39 -9.918 4.904 2.973 1.00 0.00 N ATOM 607 CA VAL A 39 -10.512 3.752 3.640 1.00 0.00 C ATOM 608 C VAL A 39 -10.925 4.119 5.062 1.00 0.00 C ATOM 609 O VAL A 39 -11.636 3.368 5.729 1.00 0.00 O ATOM 610 CB VAL A 39 -9.516 2.584 3.662 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.411 2.849 4.691 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.251 1.292 4.030 1.00 0.00 C ATOM 0 H VAL A 39 -8.901 4.952 3.026 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.400 3.447 3.087 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.067 2.485 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.711 2.013 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.881 3.764 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.854 2.958 5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.544 0.463 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.705 1.400 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.028 1.092 3.292 1.00 0.00 H new ATOM 622 N GLU A 40 -10.471 5.286 5.513 1.00 0.00 N ATOM 623 CA GLU A 40 -10.794 5.758 6.856 1.00 0.00 C ATOM 624 C GLU A 40 -10.894 4.589 7.828 1.00 0.00 C ATOM 625 O GLU A 40 -9.929 4.258 8.517 1.00 0.00 O ATOM 626 CB GLU A 40 -12.117 6.526 6.838 1.00 0.00 C ATOM 627 CG GLU A 40 -11.957 7.798 6.003 1.00 0.00 C ATOM 628 CD GLU A 40 -10.891 8.696 6.623 1.00 0.00 C ATOM 629 OE1 GLU A 40 -10.570 8.488 7.781 1.00 0.00 O ATOM 630 OE2 GLU A 40 -10.412 9.579 5.930 1.00 0.00 O ATOM 0 H GLU A 40 -9.882 5.919 4.972 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.995 6.421 7.187 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.907 5.901 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.416 6.781 7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.678 7.540 4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.907 8.330 5.949 1.00 0.00 H new ATOM 637 N ALA A 41 -12.066 3.967 7.875 1.00 0.00 N ATOM 638 CA ALA A 41 -12.290 2.834 8.766 1.00 0.00 C ATOM 639 C ALA A 41 -11.749 3.131 10.163 1.00 0.00 C ATOM 640 O ALA A 41 -11.094 4.149 10.383 1.00 0.00 O ATOM 641 CB ALA A 41 -11.603 1.588 8.205 1.00 0.00 C ATOM 0 H ALA A 41 -12.874 4.227 7.309 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.363 2.658 8.837 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.774 0.745 8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.013 1.358 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.532 1.771 8.118 1.00 0.00 H new ATOM 647 N THR A 42 -12.038 2.239 11.105 1.00 0.00 N ATOM 648 CA THR A 42 -11.580 2.418 12.478 1.00 0.00 C ATOM 649 C THR A 42 -10.188 1.820 12.668 1.00 0.00 C ATOM 650 O THR A 42 -9.607 1.910 13.750 1.00 0.00 O ATOM 651 CB THR A 42 -12.563 1.755 13.446 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.524 0.347 13.266 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.977 2.268 13.169 1.00 0.00 C ATOM 0 H THR A 42 -12.583 1.392 10.945 1.00 0.00 H new ATOM 0 HA THR A 42 -11.530 3.487 12.686 1.00 0.00 H new ATOM 0 HB THR A 42 -12.285 1.998 14.472 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.152 -0.080 13.886 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.677 1.796 13.858 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.005 3.349 13.307 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.258 2.025 12.144 1.00 0.00 H new ATOM 661 N VAL A 43 -9.661 1.203 11.615 1.00 0.00 N ATOM 662 CA VAL A 43 -8.344 0.589 11.680 1.00 0.00 C ATOM 663 C VAL A 43 -7.360 1.329 10.776 1.00 0.00 C ATOM 664 O VAL A 43 -7.162 0.954 9.620 1.00 0.00 O ATOM 665 CB VAL A 43 -8.444 -0.871 11.243 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.959 -1.721 12.405 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.414 -0.984 10.064 1.00 0.00 C ATOM 0 H VAL A 43 -10.125 1.116 10.711 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.981 0.644 12.706 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.458 -1.226 10.942 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.030 -2.762 12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.271 -1.642 13.247 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.944 -1.366 12.707 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.486 -2.026 9.751 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.398 -0.627 10.367 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.049 -0.380 9.233 1.00 0.00 H new ATOM 677 N PRO A 44 -6.750 2.370 11.280 1.00 0.00 N ATOM 678 CA PRO A 44 -5.774 3.178 10.502 1.00 0.00 C ATOM 679 C PRO A 44 -4.564 2.355 10.066 1.00 0.00 C ATOM 680 O PRO A 44 -4.197 1.379 10.721 1.00 0.00 O ATOM 681 CB PRO A 44 -5.348 4.315 11.438 1.00 0.00 C ATOM 682 CG PRO A 44 -6.089 4.143 12.730 1.00 0.00 C ATOM 683 CD PRO A 44 -6.932 2.869 12.649 1.00 0.00 C ATOM 0 HA PRO A 44 -6.224 3.548 9.581 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.272 4.288 11.608 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.576 5.283 10.992 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.387 4.079 13.562 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.727 5.007 12.917 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.604 2.133 13.383 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.982 3.078 12.855 1.00 0.00 H new ATOM 691 N ILE A 45 -3.953 2.752 8.953 1.00 0.00 N ATOM 692 CA ILE A 45 -2.791 2.037 8.439 1.00 0.00 C ATOM 693 C ILE A 45 -1.511 2.829 8.672 1.00 0.00 C ATOM 694 O ILE A 45 -1.484 4.048 8.509 1.00 0.00 O ATOM 695 CB ILE A 45 -2.939 1.784 6.938 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.277 1.095 6.662 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.789 0.886 6.460 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.310 2.137 6.227 1.00 0.00 C ATOM 0 H ILE A 45 -4.240 3.556 8.395 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.731 1.089 8.973 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.908 2.733 6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.156 0.341 5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.622 0.577 7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.891 0.703 5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.837 1.380 6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.822 -0.063 6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.263 1.645 6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.439 2.874 7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.965 2.635 5.321 1.00 0.00 H new ATOM 710 N SER A 46 -0.444 2.121 9.023 1.00 0.00 N ATOM 711 CA SER A 46 0.841 2.765 9.240 1.00 0.00 C ATOM 712 C SER A 46 1.704 2.567 8.002 1.00 0.00 C ATOM 713 O SER A 46 2.091 1.443 7.678 1.00 0.00 O ATOM 714 CB SER A 46 1.537 2.163 10.461 1.00 0.00 C ATOM 715 OG SER A 46 2.739 2.876 10.714 1.00 0.00 O ATOM 0 H SER A 46 -0.444 1.110 9.162 1.00 0.00 H new ATOM 0 HA SER A 46 0.689 3.829 9.421 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.881 2.213 11.330 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.755 1.109 10.287 1.00 0.00 H new ATOM 0 HG SER A 46 3.187 2.494 11.497 1.00 0.00 H new ATOM 721 N LEU A 47 1.982 3.657 7.299 1.00 0.00 N ATOM 722 CA LEU A 47 2.775 3.579 6.080 1.00 0.00 C ATOM 723 C LEU A 47 4.218 3.992 6.340 1.00 0.00 C ATOM 724 O LEU A 47 4.482 5.074 6.865 1.00 0.00 O ATOM 725 CB LEU A 47 2.168 4.494 5.012 1.00 0.00 C ATOM 726 CG LEU A 47 2.389 3.894 3.618 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.062 4.945 2.555 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.847 3.456 3.457 1.00 0.00 C ATOM 0 H LEU A 47 1.674 4.597 7.549 1.00 0.00 H new ATOM 0 HA LEU A 47 2.768 2.546 5.732 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.101 4.623 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.623 5.483 5.067 1.00 0.00 H new ATOM 0 HG LEU A 47 1.738 3.028 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.218 4.520 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.022 5.255 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.712 5.810 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.992 3.032 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.502 4.318 3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.087 2.706 4.210 1.00 0.00 H new ATOM 740 N GLN A 48 5.148 3.130 5.950 1.00 0.00 N ATOM 741 CA GLN A 48 6.563 3.415 6.123 1.00 0.00 C ATOM 742 C GLN A 48 7.305 3.180 4.812 1.00 0.00 C ATOM 743 O GLN A 48 7.205 2.109 4.213 1.00 0.00 O ATOM 744 CB GLN A 48 7.144 2.524 7.220 1.00 0.00 C ATOM 745 CG GLN A 48 7.233 3.311 8.528 1.00 0.00 C ATOM 746 CD GLN A 48 7.911 2.465 9.598 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.254 1.668 10.270 1.00 0.00 O ATOM 748 NE2 GLN A 48 9.194 2.585 9.793 1.00 0.00 N ATOM 0 H GLN A 48 4.947 2.230 5.513 1.00 0.00 H new ATOM 0 HA GLN A 48 6.682 4.458 6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.517 1.643 7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.133 2.170 6.929 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.794 4.232 8.371 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.235 3.599 8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.735 3.246 9.235 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.657 2.018 10.503 1.00 0.00 H new ATOM 757 N VAL A 49 8.038 4.193 4.365 1.00 0.00 N ATOM 758 CA VAL A 49 8.784 4.093 3.115 1.00 0.00 C ATOM 759 C VAL A 49 10.245 3.784 3.376 1.00 0.00 C ATOM 760 O VAL A 49 10.869 4.380 4.255 1.00 0.00 O ATOM 761 CB VAL A 49 8.704 5.402 2.327 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.297 5.196 0.930 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.243 5.842 2.208 1.00 0.00 C ATOM 0 H VAL A 49 8.132 5.088 4.845 1.00 0.00 H new ATOM 0 HA VAL A 49 8.335 3.285 2.538 1.00 0.00 H new ATOM 0 HB VAL A 49 9.270 6.174 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.240 6.129 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.339 4.889 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.735 4.423 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.188 6.775 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.672 5.072 1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.826 5.993 3.204 1.00 0.00 H new ATOM 773 N ILE A 50 10.793 2.873 2.591 1.00 0.00 N ATOM 774 CA ILE A 50 12.190 2.522 2.727 1.00 0.00 C ATOM 775 C ILE A 50 12.904 2.850 1.428 1.00 0.00 C ATOM 776 O ILE A 50 12.445 2.474 0.350 1.00 0.00 O ATOM 777 CB ILE A 50 12.332 1.034 3.036 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.311 0.649 4.109 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.748 0.754 3.553 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.428 -0.844 4.419 1.00 0.00 C ATOM 0 H ILE A 50 10.294 2.368 1.859 1.00 0.00 H new ATOM 0 HA ILE A 50 12.631 3.088 3.547 1.00 0.00 H new ATOM 0 HB ILE A 50 12.156 0.450 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.482 1.233 5.014 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.303 0.881 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.851 -0.308 3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.476 1.039 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.925 1.332 4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.700 -1.115 5.183 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.235 -1.420 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.433 -1.063 4.781 1.00 0.00 H new ATOM 792 N ASN A 51 14.014 3.562 1.525 1.00 0.00 N ATOM 793 CA ASN A 51 14.751 3.936 0.335 1.00 0.00 C ATOM 794 C ASN A 51 15.652 2.788 -0.110 1.00 0.00 C ATOM 795 O ASN A 51 16.697 2.537 0.491 1.00 0.00 O ATOM 796 CB ASN A 51 15.596 5.177 0.622 1.00 0.00 C ATOM 797 CG ASN A 51 14.704 6.412 0.689 1.00 0.00 C ATOM 798 OD1 ASN A 51 14.726 7.141 1.681 1.00 0.00 O ATOM 799 ND2 ASN A 51 13.918 6.694 -0.315 1.00 0.00 N ATOM 0 H ASN A 51 14.418 3.888 2.403 1.00 0.00 H new ATOM 0 HA ASN A 51 14.044 4.157 -0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.131 5.053 1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.348 5.303 -0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.320 7.520 -0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.902 6.088 -1.136 1.00 0.00 H new ATOM 806 N VAL A 52 15.238 2.091 -1.163 1.00 0.00 N ATOM 807 CA VAL A 52 16.011 0.966 -1.679 1.00 0.00 C ATOM 808 C VAL A 52 17.401 1.412 -2.116 1.00 0.00 C ATOM 809 O VAL A 52 18.312 0.594 -2.247 1.00 0.00 O ATOM 810 CB VAL A 52 15.282 0.336 -2.866 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.922 -0.192 -2.407 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.078 1.391 -3.954 1.00 0.00 C ATOM 0 H VAL A 52 14.376 2.283 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 52 16.117 0.232 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 52 15.876 -0.487 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.402 -0.641 -3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.066 -0.942 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.327 0.631 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.558 0.944 -4.801 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.483 2.213 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.047 1.769 -4.281 1.00 0.00 H new ATOM 822 N ALA A 53 17.560 2.711 -2.339 1.00 0.00 N ATOM 823 CA ALA A 53 18.844 3.247 -2.759 1.00 0.00 C ATOM 824 C ALA A 53 19.838 3.173 -1.613 1.00 0.00 C ATOM 825 O ALA A 53 21.043 3.055 -1.827 1.00 0.00 O ATOM 826 CB ALA A 53 18.683 4.701 -3.208 1.00 0.00 C ATOM 0 H ALA A 53 16.821 3.406 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 53 19.216 2.654 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.650 5.094 -3.521 1.00 0.00 H new ATOM 0 HB2 ALA A 53 17.984 4.749 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.300 5.297 -2.380 1.00 0.00 H new ATOM 832 N ASP A 54 19.322 3.252 -0.391 1.00 0.00 N ATOM 833 CA ASP A 54 20.178 3.202 0.779 1.00 0.00 C ATOM 834 C ASP A 54 20.282 1.783 1.333 1.00 0.00 C ATOM 835 O ASP A 54 21.273 1.434 1.975 1.00 0.00 O ATOM 836 CB ASP A 54 19.630 4.127 1.868 1.00 0.00 C ATOM 837 CG ASP A 54 19.713 5.580 1.412 1.00 0.00 C ATOM 838 OD1 ASP A 54 20.379 5.833 0.423 1.00 0.00 O ATOM 839 OD2 ASP A 54 19.108 6.418 2.061 1.00 0.00 O ATOM 0 H ASP A 54 18.327 3.350 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 54 21.172 3.530 0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 54 18.595 3.866 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 54 20.198 3.994 2.789 1.00 0.00 H new ATOM 844 N GLN A 55 19.253 0.972 1.103 1.00 0.00 N ATOM 845 CA GLN A 55 19.254 -0.394 1.616 1.00 0.00 C ATOM 846 C GLN A 55 18.636 -1.378 0.626 1.00 0.00 C ATOM 847 O GLN A 55 17.488 -1.784 0.786 1.00 0.00 O ATOM 848 CB GLN A 55 18.468 -0.440 2.924 1.00 0.00 C ATOM 849 CG GLN A 55 17.015 -0.046 2.651 1.00 0.00 C ATOM 850 CD GLN A 55 16.545 0.963 3.692 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.335 0.608 4.852 1.00 0.00 O ATOM 852 NE2 GLN A 55 16.370 2.209 3.346 1.00 0.00 N ATOM 0 H GLN A 55 18.421 1.231 0.574 1.00 0.00 H new ATOM 0 HA GLN A 55 20.291 -0.689 1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.512 -1.441 3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.911 0.239 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.927 0.382 1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.379 -0.931 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.545 2.501 2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.059 2.891 4.037 1.00 0.00 H new ATOM 861 N PRO A 56 19.374 -1.776 -0.370 1.00 0.00 N ATOM 862 CA PRO A 56 18.903 -2.750 -1.395 1.00 0.00 C ATOM 863 C PRO A 56 18.887 -4.186 -0.861 1.00 0.00 C ATOM 864 O PRO A 56 18.410 -5.111 -1.526 1.00 0.00 O ATOM 865 CB PRO A 56 19.915 -2.617 -2.542 1.00 0.00 C ATOM 866 CG PRO A 56 20.912 -1.574 -2.131 1.00 0.00 C ATOM 867 CD PRO A 56 20.744 -1.341 -0.632 1.00 0.00 C ATOM 0 HA PRO A 56 17.878 -2.541 -1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.410 -3.570 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.414 -2.328 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.926 -1.904 -2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.748 -0.649 -2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.466 -1.917 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.889 -0.293 -0.370 1.00 0.00 H new ATOM 875 N GLN A 57 19.436 -4.367 0.334 1.00 0.00 N ATOM 876 CA GLN A 57 19.513 -5.693 0.934 1.00 0.00 C ATOM 877 C GLN A 57 18.133 -6.227 1.313 1.00 0.00 C ATOM 878 O GLN A 57 17.862 -7.414 1.128 1.00 0.00 O ATOM 879 CB GLN A 57 20.398 -5.649 2.180 1.00 0.00 C ATOM 880 CG GLN A 57 20.608 -7.070 2.703 1.00 0.00 C ATOM 881 CD GLN A 57 21.458 -7.038 3.968 1.00 0.00 C ATOM 882 OE1 GLN A 57 22.683 -6.933 3.892 1.00 0.00 O ATOM 883 NE2 GLN A 57 20.880 -7.123 5.135 1.00 0.00 N ATOM 0 H GLN A 57 19.832 -3.619 0.903 1.00 0.00 H new ATOM 0 HA GLN A 57 19.943 -6.365 0.191 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.358 -5.192 1.942 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.933 -5.032 2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.645 -7.535 2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.096 -7.678 1.942 1.00 0.00 H new ATOM 0 HE21 GLN A 57 19.866 -7.210 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.443 -7.103 5.986 1.00 0.00 H new ATOM 892 N LEU A 58 17.255 -5.372 1.830 1.00 0.00 N ATOM 893 CA LEU A 58 15.926 -5.837 2.195 1.00 0.00 C ATOM 894 C LEU A 58 15.097 -6.065 0.937 1.00 0.00 C ATOM 895 O LEU A 58 14.150 -6.852 0.940 1.00 0.00 O ATOM 896 CB LEU A 58 15.220 -4.857 3.136 1.00 0.00 C ATOM 897 CG LEU A 58 15.557 -3.411 2.782 1.00 0.00 C ATOM 898 CD1 LEU A 58 15.089 -3.110 1.358 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.835 -2.483 3.759 1.00 0.00 C ATOM 0 H LEU A 58 17.434 -4.382 2.001 1.00 0.00 H new ATOM 0 HA LEU A 58 16.032 -6.779 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.142 -5.006 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.515 -5.060 4.165 1.00 0.00 H new ATOM 0 HG LEU A 58 16.634 -3.256 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.330 -2.077 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.591 -3.780 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.011 -3.258 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.068 -1.446 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.759 -2.640 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.162 -2.700 4.776 1.00 0.00 H new ATOM 911 N VAL A 59 15.477 -5.387 -0.143 1.00 0.00 N ATOM 912 CA VAL A 59 14.781 -5.542 -1.412 1.00 0.00 C ATOM 913 C VAL A 59 14.913 -6.985 -1.875 1.00 0.00 C ATOM 914 O VAL A 59 13.931 -7.615 -2.268 1.00 0.00 O ATOM 915 CB VAL A 59 15.387 -4.595 -2.448 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.996 -5.040 -3.852 1.00 0.00 C ATOM 917 CG2 VAL A 59 14.872 -3.177 -2.198 1.00 0.00 C ATOM 0 H VAL A 59 16.257 -4.730 -0.163 1.00 0.00 H new ATOM 0 HA VAL A 59 13.726 -5.298 -1.291 1.00 0.00 H new ATOM 0 HB VAL A 59 16.473 -4.612 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.432 -4.360 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.366 -6.050 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.910 -5.029 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.302 -2.499 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.785 -3.164 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.161 -2.856 -1.197 1.00 0.00 H new ATOM 927 N GLU A 60 16.131 -7.513 -1.793 1.00 0.00 N ATOM 928 CA GLU A 60 16.369 -8.901 -2.173 1.00 0.00 C ATOM 929 C GLU A 60 15.714 -9.835 -1.159 1.00 0.00 C ATOM 930 O GLU A 60 15.179 -10.882 -1.520 1.00 0.00 O ATOM 931 CB GLU A 60 17.872 -9.176 -2.240 1.00 0.00 C ATOM 932 CG GLU A 60 18.479 -8.381 -3.396 1.00 0.00 C ATOM 933 CD GLU A 60 19.976 -8.650 -3.484 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.499 -9.277 -2.576 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.579 -8.227 -4.456 1.00 0.00 O ATOM 0 H GLU A 60 16.957 -7.009 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 60 15.933 -9.079 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.347 -8.894 -1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.053 -10.242 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.996 -8.659 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.301 -7.316 -3.249 1.00 0.00 H new ATOM 942 N TYR A 61 15.745 -9.435 0.111 1.00 0.00 N ATOM 943 CA TYR A 61 15.132 -10.234 1.168 1.00 0.00 C ATOM 944 C TYR A 61 13.662 -10.468 0.855 1.00 0.00 C ATOM 945 O TYR A 61 13.142 -11.570 1.023 1.00 0.00 O ATOM 946 CB TYR A 61 15.259 -9.510 2.510 1.00 0.00 C ATOM 947 CG TYR A 61 14.578 -10.317 3.592 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.155 -11.507 4.054 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.368 -9.869 4.133 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.518 -12.248 5.058 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.733 -10.609 5.136 1.00 0.00 C ATOM 952 CZ TYR A 61 13.307 -11.799 5.598 1.00 0.00 C ATOM 953 OH TYR A 61 12.678 -12.529 6.585 1.00 0.00 O ATOM 0 H TYR A 61 16.184 -8.571 0.430 1.00 0.00 H new ATOM 0 HA TYR A 61 15.645 -11.194 1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.311 -9.366 2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.808 -8.520 2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.089 -11.853 3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.924 -8.951 3.776 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.961 -13.166 5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.800 -10.262 5.554 1.00 0.00 H new ATOM 0 HH TYR A 61 11.850 -12.076 6.849 1.00 0.00 H new ATOM 963 N TYR A 62 13.006 -9.416 0.387 1.00 0.00 N ATOM 964 CA TYR A 62 11.600 -9.488 0.033 1.00 0.00 C ATOM 965 C TYR A 62 11.447 -10.004 -1.389 1.00 0.00 C ATOM 966 O TYR A 62 10.383 -9.877 -1.995 1.00 0.00 O ATOM 967 CB TYR A 62 10.986 -8.092 0.134 1.00 0.00 C ATOM 968 CG TYR A 62 10.937 -7.664 1.579 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.235 -8.430 2.518 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.598 -6.499 1.981 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.195 -8.030 3.858 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.558 -6.099 3.323 1.00 0.00 C ATOM 973 CZ TYR A 62 10.857 -6.864 4.261 1.00 0.00 C ATOM 974 OH TYR A 62 10.817 -6.469 5.581 1.00 0.00 O ATOM 0 H TYR A 62 13.429 -8.499 0.244 1.00 0.00 H new ATOM 0 HA TYR A 62 11.091 -10.169 0.716 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.575 -7.382 -0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.982 -8.094 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.724 -9.330 2.208 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.139 -5.908 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.653 -8.621 4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.069 -5.199 3.633 1.00 0.00 H new ATOM 0 HH TYR A 62 11.328 -5.640 5.690 1.00 0.00 H new ATOM 984 N ARG A 63 12.527 -10.557 -1.930 1.00 0.00 N ATOM 985 CA ARG A 63 12.502 -11.051 -3.294 1.00 0.00 C ATOM 986 C ARG A 63 12.101 -9.906 -4.212 1.00 0.00 C ATOM 987 O ARG A 63 11.982 -10.063 -5.426 1.00 0.00 O ATOM 988 CB ARG A 63 11.511 -12.205 -3.409 1.00 0.00 C ATOM 989 CG ARG A 63 11.845 -13.268 -2.358 1.00 0.00 C ATOM 990 CD ARG A 63 10.762 -13.276 -1.278 1.00 0.00 C ATOM 991 NE ARG A 63 11.052 -14.299 -0.278 1.00 0.00 N ATOM 992 CZ ARG A 63 10.567 -14.211 0.956 1.00 0.00 C ATOM 993 NH1 ARG A 63 9.279 -14.106 1.145 1.00 0.00 N ATOM 994 NH2 ARG A 63 11.377 -14.228 1.979 1.00 0.00 N ATOM 0 H ARG A 63 13.419 -10.672 -1.449 1.00 0.00 H new ATOM 0 HA ARG A 63 13.486 -11.421 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.494 -11.841 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.555 -12.639 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.913 -14.250 -2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.817 -13.060 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.707 -12.297 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.789 -13.466 -1.731 1.00 0.00 H new ATOM 0 HE ARG A 63 11.637 -15.095 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.646 -14.092 0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.906 -14.038 2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.383 -14.309 1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.004 -14.160 2.926 1.00 0.00 H new ATOM 1008 N LEU A 64 11.919 -8.747 -3.592 1.00 0.00 N ATOM 1009 CA LEU A 64 11.556 -7.529 -4.295 1.00 0.00 C ATOM 1010 C LEU A 64 12.680 -7.173 -5.267 1.00 0.00 C ATOM 1011 O LEU A 64 13.846 -7.144 -4.882 1.00 0.00 O ATOM 1012 CB LEU A 64 11.366 -6.432 -3.234 1.00 0.00 C ATOM 1013 CG LEU A 64 10.576 -5.239 -3.778 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.133 -4.792 -5.124 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.111 -5.633 -3.941 1.00 0.00 C ATOM 0 H LEU A 64 12.020 -8.628 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 64 10.636 -7.644 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.846 -6.848 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.341 -6.092 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 64 10.663 -4.412 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.557 -3.943 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.176 -4.499 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.065 -5.614 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.547 -4.785 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.034 -6.468 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.704 -5.928 -2.974 1.00 0.00 H new ATOM 1027 N VAL A 65 12.342 -6.936 -6.532 1.00 0.00 N ATOM 1028 CA VAL A 65 13.370 -6.622 -7.522 1.00 0.00 C ATOM 1029 C VAL A 65 12.947 -5.477 -8.441 1.00 0.00 C ATOM 1030 O VAL A 65 13.751 -4.986 -9.233 1.00 0.00 O ATOM 1031 CB VAL A 65 13.671 -7.863 -8.367 1.00 0.00 C ATOM 1032 CG1 VAL A 65 14.969 -7.654 -9.150 1.00 0.00 C ATOM 1033 CG2 VAL A 65 13.822 -9.080 -7.452 1.00 0.00 C ATOM 0 H VAL A 65 11.387 -6.954 -6.891 1.00 0.00 H new ATOM 0 HA VAL A 65 14.262 -6.308 -6.980 1.00 0.00 H new ATOM 0 HB VAL A 65 12.850 -8.029 -9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.179 -8.540 -9.750 1.00 0.00 H new ATOM 0 HG12 VAL A 65 14.864 -6.789 -9.805 1.00 0.00 H new ATOM 0 HG13 VAL A 65 15.790 -7.484 -8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.036 -9.963 -8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.641 -8.910 -6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.897 -9.235 -6.897 1.00 0.00 H new ATOM 1043 N VAL A 66 11.692 -5.052 -8.340 1.00 0.00 N ATOM 1044 CA VAL A 66 11.208 -3.970 -9.176 1.00 0.00 C ATOM 1045 C VAL A 66 10.750 -2.799 -8.322 1.00 0.00 C ATOM 1046 O VAL A 66 10.126 -2.985 -7.277 1.00 0.00 O ATOM 1047 CB VAL A 66 10.036 -4.453 -10.020 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.531 -5.426 -11.090 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.020 -5.155 -9.122 1.00 0.00 C ATOM 0 H VAL A 66 11.002 -5.437 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 66 12.024 -3.646 -9.822 1.00 0.00 H new ATOM 0 HB VAL A 66 9.566 -3.598 -10.506 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.687 -5.767 -11.690 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.253 -4.923 -11.733 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.006 -6.282 -10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.180 -5.501 -9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.493 -6.007 -8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.660 -4.458 -8.365 1.00 0.00 H new ATOM 1059 N THR A 67 11.050 -1.590 -8.776 1.00 0.00 N ATOM 1060 CA THR A 67 10.646 -0.402 -8.046 1.00 0.00 C ATOM 1061 C THR A 67 9.940 0.577 -8.983 1.00 0.00 C ATOM 1062 O THR A 67 10.264 0.652 -10.168 1.00 0.00 O ATOM 1063 CB THR A 67 11.866 0.272 -7.412 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.850 0.502 -8.411 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.440 -0.639 -6.324 1.00 0.00 C ATOM 0 H THR A 67 11.566 -1.409 -9.637 1.00 0.00 H new ATOM 0 HA THR A 67 9.956 -0.698 -7.256 1.00 0.00 H new ATOM 0 HB THR A 67 11.571 1.223 -6.969 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.631 0.935 -8.007 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.309 -0.162 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.683 -0.815 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.738 -1.590 -6.766 1.00 0.00 H new ATOM 1073 N PRO A 68 8.988 1.319 -8.482 1.00 0.00 N ATOM 1074 CA PRO A 68 8.569 1.260 -7.057 1.00 0.00 C ATOM 1075 C PRO A 68 7.760 0.004 -6.756 1.00 0.00 C ATOM 1076 O PRO A 68 7.155 -0.587 -7.650 1.00 0.00 O ATOM 1077 CB PRO A 68 7.710 2.513 -6.850 1.00 0.00 C ATOM 1078 CG PRO A 68 7.667 3.240 -8.159 1.00 0.00 C ATOM 1079 CD PRO A 68 8.206 2.298 -9.234 1.00 0.00 C ATOM 0 HA PRO A 68 9.431 1.225 -6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.705 2.242 -6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.135 3.147 -6.071 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.647 3.544 -8.394 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.267 4.149 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.398 1.822 -9.790 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.822 2.830 -9.959 1.00 0.00 H new ATOM 1087 N ALA A 69 7.755 -0.395 -5.493 1.00 0.00 N ATOM 1088 CA ALA A 69 7.019 -1.579 -5.084 1.00 0.00 C ATOM 1089 C ALA A 69 6.494 -1.397 -3.664 1.00 0.00 C ATOM 1090 O ALA A 69 7.150 -0.779 -2.826 1.00 0.00 O ATOM 1091 CB ALA A 69 7.929 -2.807 -5.141 1.00 0.00 C ATOM 0 H ALA A 69 8.249 0.081 -4.739 1.00 0.00 H new ATOM 0 HA ALA A 69 6.179 -1.725 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.369 -3.690 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.291 -2.945 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.777 -2.663 -4.471 1.00 0.00 H new ATOM 1097 N LEU A 70 5.308 -1.931 -3.399 1.00 0.00 N ATOM 1098 CA LEU A 70 4.707 -1.810 -2.076 1.00 0.00 C ATOM 1099 C LEU A 70 4.452 -3.191 -1.479 1.00 0.00 C ATOM 1100 O LEU A 70 3.988 -4.096 -2.174 1.00 0.00 O ATOM 1101 CB LEU A 70 3.395 -1.035 -2.183 1.00 0.00 C ATOM 1102 CG LEU A 70 2.965 -0.559 -0.797 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.891 0.522 -0.938 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.402 -1.737 0.001 1.00 0.00 C ATOM 0 H LEU A 70 4.747 -2.448 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 70 5.393 -1.273 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.519 -0.181 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.621 -1.668 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 70 3.828 -0.148 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.584 0.861 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.294 1.364 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.029 0.112 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.096 -1.394 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.540 -2.152 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.168 -2.505 0.105 1.00 0.00 H new ATOM 1116 N VAL A 71 4.772 -3.360 -0.195 1.00 0.00 N ATOM 1117 CA VAL A 71 4.579 -4.656 0.449 1.00 0.00 C ATOM 1118 C VAL A 71 3.870 -4.539 1.800 1.00 0.00 C ATOM 1119 O VAL A 71 4.311 -3.807 2.687 1.00 0.00 O ATOM 1120 CB VAL A 71 5.939 -5.327 0.655 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.733 -6.750 1.178 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.694 -5.373 -0.680 1.00 0.00 C ATOM 0 H VAL A 71 5.157 -2.632 0.407 1.00 0.00 H new ATOM 0 HA VAL A 71 3.945 -5.254 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 71 6.520 -4.757 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.702 -7.228 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.198 -6.715 2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.152 -7.323 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.663 -5.851 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.114 -5.943 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.842 -4.358 -1.049 1.00 0.00 H new ATOM 1132 N LYS A 72 2.791 -5.308 1.958 1.00 0.00 N ATOM 1133 CA LYS A 72 2.045 -5.334 3.215 1.00 0.00 C ATOM 1134 C LYS A 72 2.560 -6.478 4.079 1.00 0.00 C ATOM 1135 O LYS A 72 2.693 -7.605 3.605 1.00 0.00 O ATOM 1136 CB LYS A 72 0.548 -5.526 2.955 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.201 -5.517 4.293 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.878 -6.872 4.513 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.163 -6.941 3.689 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.435 -8.357 3.314 1.00 0.00 N ATOM 0 H LYS A 72 2.416 -5.919 1.233 1.00 0.00 H new ATOM 0 HA LYS A 72 2.188 -4.383 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.174 -4.731 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.375 -6.468 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.493 -5.309 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.946 -4.722 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.204 -7.678 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.104 -7.010 5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.998 -6.538 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.067 -6.328 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.271 -8.398 2.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.613 -8.747 2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.611 -8.916 4.173 1.00 0.00 H new ATOM 1154 N ILE A 73 2.862 -6.185 5.339 1.00 0.00 N ATOM 1155 CA ILE A 73 3.379 -7.214 6.236 1.00 0.00 C ATOM 1156 C ILE A 73 2.296 -7.788 7.152 1.00 0.00 C ATOM 1157 O ILE A 73 2.457 -8.890 7.679 1.00 0.00 O ATOM 1158 CB ILE A 73 4.533 -6.653 7.075 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.352 -5.143 7.270 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.860 -6.926 6.361 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.045 -4.382 6.132 1.00 0.00 C ATOM 0 H ILE A 73 2.761 -5.261 5.758 1.00 0.00 H new ATOM 0 HA ILE A 73 3.742 -8.031 5.612 1.00 0.00 H new ATOM 0 HB ILE A 73 4.538 -7.138 8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.291 -4.895 7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.770 -4.839 8.230 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.682 -6.528 6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.991 -8.001 6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.853 -6.444 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.912 -3.310 6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.109 -4.619 6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.607 -4.676 5.178 1.00 0.00 H new ATOM 1173 N GLY A 74 1.193 -7.065 7.345 1.00 0.00 N ATOM 1174 CA GLY A 74 0.125 -7.580 8.206 1.00 0.00 C ATOM 1175 C GLY A 74 -0.950 -6.531 8.477 1.00 0.00 C ATOM 1176 O GLY A 74 -0.763 -5.348 8.192 1.00 0.00 O ATOM 0 H GLY A 74 1.016 -6.149 6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.330 -8.452 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.552 -7.914 9.152 1.00 0.00 H new ATOM 1180 N PRO A 75 -2.066 -6.946 9.031 1.00 0.00 N ATOM 1181 CA PRO A 75 -2.321 -8.371 9.386 1.00 0.00 C ATOM 1182 C PRO A 75 -2.569 -9.238 8.156 1.00 0.00 C ATOM 1183 O PRO A 75 -2.584 -8.744 7.027 1.00 0.00 O ATOM 1184 CB PRO A 75 -3.578 -8.343 10.265 1.00 0.00 C ATOM 1185 CG PRO A 75 -4.011 -6.915 10.379 1.00 0.00 C ATOM 1186 CD PRO A 75 -3.196 -6.088 9.388 1.00 0.00 C ATOM 0 HA PRO A 75 -1.456 -8.804 9.889 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.369 -8.950 9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.367 -8.760 11.250 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.076 -6.823 10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.857 -6.551 11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.787 -5.826 8.511 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.858 -5.153 9.836 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.762 -10.533 8.385 1.00 0.00 N ATOM 1195 CA GLY A 76 -3.005 -11.463 7.290 1.00 0.00 C ATOM 1196 C GLY A 76 -1.689 -11.895 6.659 1.00 0.00 C ATOM 1197 O GLY A 76 -0.617 -11.638 7.206 1.00 0.00 O ATOM 0 H GLY A 76 -2.755 -10.959 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.543 -12.336 7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.639 -10.992 6.538 1.00 0.00 H new ATOM 1201 N SER A 77 -1.773 -12.545 5.506 1.00 0.00 N ATOM 1202 CA SER A 77 -0.571 -12.996 4.818 1.00 0.00 C ATOM 1203 C SER A 77 0.159 -11.818 4.194 1.00 0.00 C ATOM 1204 O SER A 77 -0.428 -10.765 3.947 1.00 0.00 O ATOM 1205 CB SER A 77 -0.924 -14.006 3.731 1.00 0.00 C ATOM 1206 OG SER A 77 0.142 -14.075 2.793 1.00 0.00 O ATOM 0 H SER A 77 -2.648 -12.770 5.033 1.00 0.00 H new ATOM 0 HA SER A 77 0.079 -13.472 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.100 -14.987 4.173 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.846 -13.712 3.230 1.00 0.00 H new ATOM 0 HG SER A 77 -0.080 -14.724 2.093 1.00 0.00 H new ATOM 1212 N ARG A 78 1.443 -12.010 3.938 1.00 0.00 N ATOM 1213 CA ARG A 78 2.257 -10.963 3.335 1.00 0.00 C ATOM 1214 C ARG A 78 2.068 -10.955 1.822 1.00 0.00 C ATOM 1215 O ARG A 78 2.010 -12.011 1.191 1.00 0.00 O ATOM 1216 CB ARG A 78 3.731 -11.203 3.666 1.00 0.00 C ATOM 1217 CG ARG A 78 4.584 -10.080 3.071 1.00 0.00 C ATOM 1218 CD ARG A 78 6.047 -10.294 3.457 1.00 0.00 C ATOM 1219 NE ARG A 78 6.570 -11.490 2.806 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.444 -12.281 3.420 1.00 0.00 C ATOM 1221 NH1 ARG A 78 8.217 -11.799 4.356 1.00 0.00 N ATOM 1222 NH2 ARG A 78 7.530 -13.539 3.085 1.00 0.00 N ATOM 0 H ARG A 78 1.944 -12.876 4.137 1.00 0.00 H new ATOM 0 HA ARG A 78 1.946 -9.999 3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.869 -11.244 4.746 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.051 -12.166 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.481 -10.066 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.238 -9.113 3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.638 -9.425 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.135 -10.392 4.539 1.00 0.00 H new ATOM 0 HE ARG A 78 6.259 -11.723 1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.150 -10.815 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.887 -12.407 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.927 -13.914 2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.200 -14.147 3.555 1.00 0.00 H new ATOM 1236 N GLN A 79 1.979 -9.763 1.244 1.00 0.00 N ATOM 1237 CA GLN A 79 1.801 -9.642 -0.199 1.00 0.00 C ATOM 1238 C GLN A 79 2.689 -8.537 -0.751 1.00 0.00 C ATOM 1239 O GLN A 79 2.943 -7.539 -0.078 1.00 0.00 O ATOM 1240 CB GLN A 79 0.340 -9.333 -0.531 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.547 -10.494 -0.079 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.983 -10.260 -0.538 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.305 -10.483 -1.706 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.868 -9.822 0.313 1.00 0.00 N ATOM 0 H GLN A 79 2.026 -8.876 1.745 1.00 0.00 H new ATOM 0 HA GLN A 79 2.081 -10.590 -0.658 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.031 -8.412 -0.036 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.227 -9.172 -1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.172 -11.431 -0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.514 -10.587 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.599 -9.638 1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.830 -9.663 0.012 1.00 0.00 H new ATOM 1253 N VAL A 80 3.159 -8.719 -1.980 1.00 0.00 N ATOM 1254 CA VAL A 80 4.019 -7.724 -2.602 1.00 0.00 C ATOM 1255 C VAL A 80 3.337 -7.102 -3.815 1.00 0.00 C ATOM 1256 O VAL A 80 2.970 -7.798 -4.762 1.00 0.00 O ATOM 1257 CB VAL A 80 5.334 -8.376 -3.035 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.278 -7.308 -3.589 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.984 -9.058 -1.829 1.00 0.00 C ATOM 0 H VAL A 80 2.961 -9.536 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 80 4.220 -6.939 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 80 5.134 -9.117 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.214 -7.774 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.814 -6.823 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.479 -6.565 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.921 -9.523 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.183 -8.317 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.312 -9.821 -1.436 1.00 0.00 H new ATOM 1269 N LEU A 81 3.190 -5.783 -3.785 1.00 0.00 N ATOM 1270 CA LEU A 81 2.574 -5.065 -4.888 1.00 0.00 C ATOM 1271 C LEU A 81 3.642 -4.250 -5.604 1.00 0.00 C ATOM 1272 O LEU A 81 4.416 -3.542 -4.961 1.00 0.00 O ATOM 1273 CB LEU A 81 1.492 -4.131 -4.351 1.00 0.00 C ATOM 1274 CG LEU A 81 0.628 -4.866 -3.326 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.300 -3.862 -2.648 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.220 -5.932 -4.018 1.00 0.00 C ATOM 0 H LEU A 81 3.489 -5.192 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 81 2.122 -5.773 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.951 -3.256 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.871 -3.771 -5.171 1.00 0.00 H new ATOM 0 HG LEU A 81 1.276 -5.343 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.920 -4.377 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.294 -3.098 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.938 -3.393 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.831 -6.448 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.868 -5.459 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.432 -6.650 -4.515 1.00 0.00 H new ATOM 1288 N SER A 82 3.702 -4.353 -6.926 1.00 0.00 N ATOM 1289 CA SER A 82 4.710 -3.607 -7.668 1.00 0.00 C ATOM 1290 C SER A 82 4.304 -3.384 -9.114 1.00 0.00 C ATOM 1291 O SER A 82 3.312 -3.930 -9.594 1.00 0.00 O ATOM 1292 CB SER A 82 6.044 -4.346 -7.640 1.00 0.00 C ATOM 1293 OG SER A 82 6.967 -3.666 -8.477 1.00 0.00 O ATOM 0 H SER A 82 3.082 -4.930 -7.494 1.00 0.00 H new ATOM 0 HA SER A 82 4.807 -2.636 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.426 -4.395 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.913 -5.373 -7.981 1.00 0.00 H new ATOM 0 HG SER A 82 7.223 -2.817 -8.060 1.00 0.00 H new ATOM 1299 N GLY A 83 5.103 -2.574 -9.799 1.00 0.00 N ATOM 1300 CA GLY A 83 4.853 -2.267 -11.203 1.00 0.00 C ATOM 1301 C GLY A 83 3.937 -1.057 -11.345 1.00 0.00 C ATOM 1302 O GLY A 83 2.938 -1.103 -12.064 1.00 0.00 O ATOM 0 H GLY A 83 5.927 -2.119 -9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.798 -2.073 -11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.400 -3.129 -11.692 1.00 0.00 H new ATOM 1306 N ILE A 84 4.286 0.019 -10.648 1.00 0.00 N ATOM 1307 CA ILE A 84 3.502 1.254 -10.680 1.00 0.00 C ATOM 1308 C ILE A 84 2.002 0.972 -10.620 1.00 0.00 C ATOM 1309 O ILE A 84 1.187 1.888 -10.734 1.00 0.00 O ATOM 1310 CB ILE A 84 3.833 2.062 -11.939 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.190 1.418 -13.174 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.350 2.096 -12.127 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.356 2.352 -14.374 1.00 0.00 C ATOM 0 H ILE A 84 5.111 0.063 -10.050 1.00 0.00 H new ATOM 0 HA ILE A 84 3.769 1.836 -9.798 1.00 0.00 H new ATOM 0 HB ILE A 84 3.443 3.073 -11.823 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.656 0.455 -13.381 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.133 1.227 -12.990 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.593 2.670 -13.021 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.814 2.564 -11.259 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.726 1.079 -12.235 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.900 1.898 -15.254 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.869 3.304 -14.164 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.417 2.520 -14.560 1.00 0.00 H new ATOM 1325 N ASP A 85 1.640 -0.291 -10.432 1.00 0.00 N ATOM 1326 CA ASP A 85 0.235 -0.667 -10.347 1.00 0.00 C ATOM 1327 C ASP A 85 -0.188 -0.748 -8.886 1.00 0.00 C ATOM 1328 O ASP A 85 -1.263 -1.249 -8.560 1.00 0.00 O ATOM 1329 CB ASP A 85 0.007 -2.019 -11.029 1.00 0.00 C ATOM 1330 CG ASP A 85 0.766 -3.113 -10.286 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.233 -2.843 -9.191 1.00 0.00 O ATOM 1332 OD2 ASP A 85 0.871 -4.203 -10.823 1.00 0.00 O ATOM 0 H ASP A 85 2.295 -1.067 -10.336 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.364 0.089 -10.855 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.058 -2.252 -11.047 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.341 -1.973 -12.066 1.00 0.00 H new ATOM 1337 N LEU A 86 0.681 -0.249 -8.015 1.00 0.00 N ATOM 1338 CA LEU A 86 0.423 -0.258 -6.585 1.00 0.00 C ATOM 1339 C LEU A 86 -0.975 0.253 -6.273 1.00 0.00 C ATOM 1340 O LEU A 86 -1.708 -0.357 -5.497 1.00 0.00 O ATOM 1341 CB LEU A 86 1.448 0.633 -5.884 1.00 0.00 C ATOM 1342 CG LEU A 86 2.857 0.180 -6.259 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.881 1.033 -5.511 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.034 -1.285 -5.868 1.00 0.00 C ATOM 0 H LEU A 86 1.574 0.168 -8.278 1.00 0.00 H new ATOM 0 HA LEU A 86 0.502 -1.285 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.300 1.673 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.313 0.580 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 86 3.005 0.294 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.887 0.711 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.751 2.080 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.736 0.917 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.039 -1.614 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.889 -1.395 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.301 -1.894 -6.397 1.00 0.00 H new ATOM 1356 N THR A 87 -1.341 1.380 -6.871 1.00 0.00 N ATOM 1357 CA THR A 87 -2.654 1.956 -6.624 1.00 0.00 C ATOM 1358 C THR A 87 -3.753 1.063 -7.183 1.00 0.00 C ATOM 1359 O THR A 87 -4.811 0.916 -6.574 1.00 0.00 O ATOM 1360 CB THR A 87 -2.750 3.352 -7.246 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.616 3.249 -8.657 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.637 4.245 -6.691 1.00 0.00 C ATOM 0 H THR A 87 -0.756 1.906 -7.521 1.00 0.00 H new ATOM 0 HA THR A 87 -2.789 2.037 -5.545 1.00 0.00 H new ATOM 0 HB THR A 87 -3.717 3.791 -7.001 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.679 4.141 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.710 5.237 -7.137 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.740 4.325 -5.609 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.667 3.810 -6.932 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.495 0.455 -8.334 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.476 -0.428 -8.935 1.00 0.00 C ATOM 1372 C ASP A 88 -4.563 -1.714 -8.125 1.00 0.00 C ATOM 1373 O ASP A 88 -5.651 -2.172 -7.772 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.071 -0.749 -10.374 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.129 0.514 -11.228 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.726 1.480 -10.781 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.577 0.496 -12.316 1.00 0.00 O ATOM 0 H ASP A 88 -2.627 0.557 -8.861 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.449 0.063 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.063 -1.164 -10.393 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.736 -1.508 -10.787 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.401 -2.282 -7.817 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.341 -3.506 -7.032 1.00 0.00 C ATOM 1384 C GLN A 89 -3.747 -3.227 -5.587 1.00 0.00 C ATOM 1385 O GLN A 89 -4.547 -3.959 -5.006 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.923 -4.081 -7.075 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.993 -5.608 -7.010 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.584 -6.190 -6.985 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.410 -7.389 -6.770 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.438 -5.405 -7.198 1.00 0.00 N ATOM 0 H GLN A 89 -2.492 -1.914 -8.099 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.034 -4.232 -7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.419 -3.767 -7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.337 -3.697 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.540 -5.918 -6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.540 -5.993 -7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.290 -4.412 -7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.384 -5.785 -7.186 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.196 -2.159 -5.009 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.519 -1.804 -3.632 1.00 0.00 C ATOM 1401 C LEU A 90 -5.020 -1.596 -3.465 1.00 0.00 C ATOM 1402 O LEU A 90 -5.627 -2.113 -2.529 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.777 -0.529 -3.233 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.110 -0.179 -1.784 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.471 -1.206 -0.848 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.563 1.214 -1.465 1.00 0.00 C ATOM 0 H LEU A 90 -2.533 -1.534 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.206 -2.624 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.702 -0.670 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.062 0.292 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.191 -0.190 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.710 -0.955 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.858 -2.199 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.389 -1.198 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.798 1.469 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.482 1.221 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.019 1.946 -2.132 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.613 -0.839 -4.382 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.047 -0.574 -4.324 1.00 0.00 C ATOM 1420 C ALA A 91 -7.828 -1.882 -4.371 1.00 0.00 C ATOM 1421 O ALA A 91 -8.847 -2.033 -3.699 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.465 0.315 -5.495 1.00 0.00 C ATOM 0 H ALA A 91 -5.130 -0.402 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.267 -0.061 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.537 0.506 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.925 1.260 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.232 -0.187 -6.434 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.338 -2.823 -5.170 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.984 -4.119 -5.302 1.00 0.00 C ATOM 1430 C ASN A 92 -7.605 -5.032 -4.142 1.00 0.00 C ATOM 1431 O ASN A 92 -8.421 -5.816 -3.656 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.554 -4.767 -6.616 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.173 -4.030 -7.800 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -7.470 -3.673 -8.746 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -9.454 -3.778 -7.806 1.00 0.00 N ATOM 0 H ASN A 92 -6.496 -2.711 -5.735 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.064 -3.973 -5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.467 -4.752 -6.698 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.860 -5.813 -6.630 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.873 -3.285 -8.595 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.036 -4.074 -7.022 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.351 -4.932 -3.719 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.841 -5.755 -2.630 1.00 0.00 C ATOM 1444 C GLN A 93 -6.297 -5.239 -1.271 1.00 0.00 C ATOM 1445 O GLN A 93 -6.570 -6.022 -0.361 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.317 -5.767 -2.678 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.850 -6.523 -3.919 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.194 -7.999 -3.787 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -4.044 -8.579 -2.712 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.646 -8.645 -4.822 1.00 0.00 N ATOM 0 H GLN A 93 -5.667 -4.287 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.235 -6.763 -2.757 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.936 -4.746 -2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.918 -6.240 -1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.325 -6.108 -4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.774 -6.401 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.769 -8.161 -5.711 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.877 -9.635 -4.744 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.365 -3.923 -1.134 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.777 -3.326 0.128 1.00 0.00 C ATOM 1461 C LEU A 94 -8.103 -3.927 0.605 1.00 0.00 C ATOM 1462 O LEU A 94 -8.166 -4.497 1.695 1.00 0.00 O ATOM 1463 CB LEU A 94 -6.885 -1.807 -0.024 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.668 -1.223 1.153 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.029 -1.676 2.468 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -7.640 0.307 1.074 1.00 0.00 C ATOM 0 H LEU A 94 -6.143 -3.255 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.023 -3.545 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.890 -1.365 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.383 -1.561 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.700 -1.572 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.587 -1.259 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.047 -2.764 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.997 -1.327 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.198 0.725 1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.608 0.655 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.095 0.631 0.138 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.151 -3.842 -0.180 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.470 -4.420 0.195 1.00 0.00 C ATOM 1480 C PRO A 95 -10.332 -5.857 0.696 1.00 0.00 C ATOM 1481 O PRO A 95 -10.936 -6.237 1.700 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.289 -4.397 -1.104 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.406 -3.828 -2.172 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.207 -3.182 -1.487 1.00 0.00 C ATOM 0 HA PRO A 95 -10.936 -3.856 1.003 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.617 -5.402 -1.370 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.186 -3.790 -0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.079 -4.612 -2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.949 -3.093 -2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.290 -3.340 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.337 -2.105 -1.385 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.534 -6.651 -0.015 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.320 -8.046 0.358 1.00 0.00 C ATOM 1494 C GLN A 96 -8.674 -8.149 1.731 1.00 0.00 C ATOM 1495 O GLN A 96 -8.958 -9.072 2.493 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.416 -8.725 -0.671 1.00 0.00 C ATOM 1497 CG GLN A 96 -9.115 -8.744 -2.029 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.263 -9.507 -3.038 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -8.668 -9.682 -4.186 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -7.099 -9.970 -2.675 1.00 0.00 N ATOM 0 H GLN A 96 -9.027 -6.353 -0.849 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.291 -8.541 0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.468 -8.192 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.186 -9.742 -0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.094 -9.213 -1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.281 -7.725 -2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.766 -9.823 -1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.521 -10.479 -3.344 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.798 -7.203 2.039 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.110 -7.209 3.325 1.00 0.00 C ATOM 1511 C TRP A 97 -8.113 -7.052 4.459 1.00 0.00 C ATOM 1512 O TRP A 97 -8.050 -7.765 5.460 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.093 -6.071 3.376 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.105 -6.234 2.264 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.035 -7.300 1.432 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.049 -5.320 1.849 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.000 -7.098 0.533 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.364 -5.890 0.750 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.625 -4.062 2.317 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.295 -5.237 0.137 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.549 -3.402 1.701 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -1.886 -3.988 0.614 1.00 0.00 C ATOM 0 H TRP A 97 -7.548 -6.429 1.424 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.591 -8.161 3.440 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.601 -5.111 3.287 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.578 -6.072 4.337 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.680 -8.166 1.464 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.740 -7.759 -0.199 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.130 -3.602 3.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.787 -5.693 -0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.231 -2.437 2.067 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.059 -3.475 0.145 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.053 -6.130 4.286 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.078 -5.909 5.289 1.00 0.00 C ATOM 1535 C LEU A 98 -10.971 -7.138 5.378 1.00 0.00 C ATOM 1536 O LEU A 98 -11.470 -7.491 6.445 1.00 0.00 O ATOM 1537 CB LEU A 98 -10.914 -4.690 4.906 1.00 0.00 C ATOM 1538 CG LEU A 98 -9.999 -3.475 4.751 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.845 -2.221 4.520 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.164 -3.303 6.022 1.00 0.00 C ATOM 0 H LEU A 98 -9.124 -5.529 3.465 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.609 -5.732 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.447 -4.879 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.667 -4.497 5.670 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.337 -3.625 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.191 -1.356 4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.439 -2.345 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.509 -2.068 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.511 -2.437 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.826 -3.154 6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.560 -4.196 6.184 1.00 0.00 H new