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 79 GLN : amide:sc= -3.09! C(o=-6.5!,f=-11!) USER MOD Set 1.2: A 93 GLN : amide:sc= -1.74 K(o=-6.5,f=-6) USER MOD Set 1.3: A 96 GLN : amide:sc= -1.67 X(o=-6.5,f=-6.8!) USER MOD Single : A 11 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.019) USER MOD Single : A 16 GLN : amide:sc= -0.149 K(o=-0.15,f=-2!) USER MOD Single : A 21 THR OG1 : rot -42:sc= 0.266! USER MOD Single : A 25 SER OG : rot -84:sc= 0.619 USER MOD Single : A 26 GLN : amide:sc= -1.15! K(o=-1.2!,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 30 GLN : amide:sc= -1.01 K(o=-1,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= -4.16! (180deg=-6.48!) USER MOD Single : A 34 ASN : amide:sc= -9.47! C(o=-9.5!,f=-6.7!) 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= -0.338 K(o=-0.34,f=-3.1!) USER MOD Single : A 51 ASN : amide:sc= -0.0358 K(o=-0.036,f=-2.1!) USER MOD Single : A 55 GLN : amide:sc= -17.3! C(o=-17!,f=-13!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.5!) 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= 0.741 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= -3.51 (180deg=-3.75!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.261 USER MOD Single : A 82 SER OG : rot 61:sc= -2.99! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -4.26! C(o=-4.3!,f=-2.2!) USER MOD Single : A 92 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -3.024 -3.546 17.290 1.00 0.00 N ATOM 133 CA GLN A 11 -1.959 -2.815 16.615 1.00 0.00 C ATOM 134 C GLN A 11 -2.393 -2.390 15.210 1.00 0.00 C ATOM 135 O GLN A 11 -3.014 -3.167 14.485 1.00 0.00 O ATOM 136 CB GLN A 11 -0.713 -3.697 16.511 1.00 0.00 C ATOM 137 CG GLN A 11 -0.546 -4.500 17.802 1.00 0.00 C ATOM 138 CD GLN A 11 0.592 -5.505 17.650 1.00 0.00 C ATOM 139 OE1 GLN A 11 1.101 -6.022 18.644 1.00 0.00 O ATOM 140 NE2 GLN A 11 1.024 -5.815 16.457 1.00 0.00 N ATOM 0 HA GLN A 11 -1.736 -1.922 17.198 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.802 -4.372 15.660 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.169 -3.080 16.338 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.339 -3.827 18.634 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.474 -5.022 18.038 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.601 -5.386 15.634 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.784 -6.486 16.348 1.00 0.00 H new ATOM 149 N PRO A 12 -2.067 -1.184 14.809 1.00 0.00 N ATOM 150 CA PRO A 12 -2.423 -0.671 13.457 1.00 0.00 C ATOM 151 C PRO A 12 -1.857 -1.559 12.353 1.00 0.00 C ATOM 152 O PRO A 12 -1.073 -2.471 12.620 1.00 0.00 O ATOM 153 CB PRO A 12 -1.809 0.732 13.379 1.00 0.00 C ATOM 154 CG PRO A 12 -1.112 0.997 14.679 1.00 0.00 C ATOM 155 CD PRO A 12 -1.335 -0.195 15.610 1.00 0.00 C ATOM 0 HA PRO A 12 -3.504 -0.659 13.314 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.106 0.796 12.548 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.583 1.479 13.201 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.046 1.150 14.511 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.497 1.909 15.135 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.387 -0.600 15.964 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.906 0.097 16.492 1.00 0.00 H new ATOM 163 N LEU A 13 -2.256 -1.292 11.113 1.00 0.00 N ATOM 164 CA LEU A 13 -1.774 -2.079 9.987 1.00 0.00 C ATOM 165 C LEU A 13 -0.420 -1.563 9.529 1.00 0.00 C ATOM 166 O LEU A 13 -0.229 -0.357 9.366 1.00 0.00 O ATOM 167 CB LEU A 13 -2.768 -2.002 8.828 1.00 0.00 C ATOM 168 CG LEU A 13 -2.472 -3.106 7.816 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.625 -3.185 6.824 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.180 -2.783 7.063 1.00 0.00 C ATOM 0 H LEU A 13 -2.905 -0.545 10.866 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.673 -3.116 10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.786 -2.104 9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.702 -1.027 8.345 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.357 -4.058 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.425 -3.971 6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.549 -3.411 7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.728 -2.230 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.972 -3.573 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.292 -1.834 6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.354 -2.712 7.771 1.00 0.00 H new ATOM 182 N LEU A 14 0.521 -2.477 9.326 1.00 0.00 N ATOM 183 CA LEU A 14 1.848 -2.090 8.894 1.00 0.00 C ATOM 184 C LEU A 14 1.962 -2.179 7.379 1.00 0.00 C ATOM 185 O LEU A 14 1.954 -3.266 6.798 1.00 0.00 O ATOM 186 CB LEU A 14 2.878 -2.996 9.561 1.00 0.00 C ATOM 187 CG LEU A 14 2.680 -2.964 11.078 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.928 -3.517 11.766 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.432 -1.524 11.539 1.00 0.00 C ATOM 0 H LEU A 14 0.387 -3.480 9.453 1.00 0.00 H new ATOM 0 HA LEU A 14 2.035 -1.057 9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.774 -4.016 9.192 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.886 -2.667 9.308 1.00 0.00 H new ATOM 0 HG LEU A 14 1.818 -3.577 11.342 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.788 -3.495 12.847 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.096 -4.544 11.443 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.791 -2.907 11.499 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.292 -1.507 12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.289 -0.905 11.275 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.539 -1.135 11.051 1.00 0.00 H new ATOM 201 N LEU A 15 2.060 -1.015 6.757 1.00 0.00 N ATOM 202 CA LEU A 15 2.164 -0.918 5.310 1.00 0.00 C ATOM 203 C LEU A 15 3.462 -0.198 4.938 1.00 0.00 C ATOM 204 O LEU A 15 3.779 0.846 5.510 1.00 0.00 O ATOM 205 CB LEU A 15 0.943 -0.144 4.793 1.00 0.00 C ATOM 206 CG LEU A 15 0.750 -0.364 3.296 1.00 0.00 C ATOM 207 CD1 LEU A 15 1.948 0.203 2.541 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.609 -1.863 3.009 1.00 0.00 C ATOM 0 H LEU A 15 2.070 -0.115 7.238 1.00 0.00 H new ATOM 0 HA LEU A 15 2.184 -1.909 4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.050 -0.466 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.070 0.920 4.994 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.155 0.146 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.811 0.046 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.034 1.271 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.857 -0.302 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.471 -2.017 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.509 -2.383 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.254 -2.257 3.546 1.00 0.00 H new ATOM 220 N GLN A 16 4.220 -0.756 3.992 1.00 0.00 N ATOM 221 CA GLN A 16 5.483 -0.136 3.591 1.00 0.00 C ATOM 222 C GLN A 16 5.583 0.024 2.077 1.00 0.00 C ATOM 223 O GLN A 16 4.895 -0.659 1.318 1.00 0.00 O ATOM 224 CB GLN A 16 6.666 -0.965 4.096 1.00 0.00 C ATOM 225 CG GLN A 16 6.825 -0.751 5.601 1.00 0.00 C ATOM 226 CD GLN A 16 7.932 -1.648 6.146 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.427 -2.525 5.439 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.350 -1.482 7.372 1.00 0.00 N ATOM 0 H GLN A 16 3.988 -1.618 3.498 1.00 0.00 H new ATOM 0 HA GLN A 16 5.511 0.857 4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.503 -2.021 3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.579 -0.672 3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.060 0.294 5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.886 -0.971 6.108 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.939 -0.755 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.088 -2.080 7.745 1.00 0.00 H new ATOM 237 N LEU A 17 6.447 0.945 1.654 1.00 0.00 N ATOM 238 CA LEU A 17 6.644 1.212 0.234 1.00 0.00 C ATOM 239 C LEU A 17 8.121 1.440 -0.079 1.00 0.00 C ATOM 240 O LEU A 17 8.786 2.245 0.569 1.00 0.00 O ATOM 241 CB LEU A 17 5.836 2.450 -0.167 1.00 0.00 C ATOM 242 CG LEU A 17 5.999 2.721 -1.665 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.045 1.822 -2.450 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.670 4.187 -1.953 1.00 0.00 C ATOM 0 H LEU A 17 7.020 1.517 2.274 1.00 0.00 H new ATOM 0 HA LEU A 17 6.303 0.346 -0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.783 2.300 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.172 3.314 0.406 1.00 0.00 H new ATOM 0 HG LEU A 17 7.026 2.512 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.160 2.014 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.276 0.777 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.018 2.033 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.785 4.383 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.642 4.395 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.348 4.829 -1.391 1.00 0.00 H new ATOM 256 N PHE A 18 8.627 0.737 -1.089 1.00 0.00 N ATOM 257 CA PHE A 18 10.023 0.891 -1.485 1.00 0.00 C ATOM 258 C PHE A 18 10.122 1.851 -2.662 1.00 0.00 C ATOM 259 O PHE A 18 9.495 1.639 -3.700 1.00 0.00 O ATOM 260 CB PHE A 18 10.615 -0.464 -1.879 1.00 0.00 C ATOM 261 CG PHE A 18 10.905 -1.272 -0.638 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.852 -1.812 0.109 1.00 0.00 C ATOM 263 CD2 PHE A 18 12.232 -1.484 -0.236 1.00 0.00 C ATOM 264 CE1 PHE A 18 10.125 -2.563 1.258 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.504 -2.237 0.913 1.00 0.00 C ATOM 266 CZ PHE A 18 11.449 -2.774 1.659 1.00 0.00 C ATOM 0 H PHE A 18 8.098 0.063 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 18 10.584 1.292 -0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.919 -1.003 -2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.531 -0.319 -2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.830 -1.649 -0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.044 -1.066 -0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.313 -2.980 1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.525 -2.403 1.222 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.657 -3.353 2.547 1.00 0.00 H new ATOM 276 N VAL A 19 10.900 2.915 -2.494 1.00 0.00 N ATOM 277 CA VAL A 19 11.045 3.898 -3.559 1.00 0.00 C ATOM 278 C VAL A 19 12.508 4.260 -3.799 1.00 0.00 C ATOM 279 O VAL A 19 13.356 4.110 -2.914 1.00 0.00 O ATOM 280 CB VAL A 19 10.263 5.163 -3.198 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.858 4.778 -2.731 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.988 5.909 -2.075 1.00 0.00 C ATOM 0 H VAL A 19 11.431 3.116 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 19 10.651 3.458 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 19 10.191 5.808 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.301 5.679 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.341 4.248 -3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.930 4.133 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.431 6.810 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.061 5.265 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.989 6.184 -2.408 1.00 0.00 H new ATOM 292 N ASP A 20 12.782 4.754 -5.004 1.00 0.00 N ATOM 293 CA ASP A 20 14.130 5.170 -5.377 1.00 0.00 C ATOM 294 C ASP A 20 14.249 6.686 -5.251 1.00 0.00 C ATOM 295 O ASP A 20 15.184 7.295 -5.768 1.00 0.00 O ATOM 296 CB ASP A 20 14.435 4.744 -6.814 1.00 0.00 C ATOM 297 CG ASP A 20 13.501 5.468 -7.776 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.823 6.380 -7.334 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.478 5.099 -8.939 1.00 0.00 O ATOM 0 H ASP A 20 12.086 4.876 -5.740 1.00 0.00 H new ATOM 0 HA ASP A 20 14.848 4.693 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.472 4.973 -7.058 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.314 3.666 -6.917 1.00 0.00 H new ATOM 304 N THR A 21 13.283 7.280 -4.554 1.00 0.00 N ATOM 305 CA THR A 21 13.251 8.726 -4.344 1.00 0.00 C ATOM 306 C THR A 21 12.778 9.466 -5.597 1.00 0.00 C ATOM 307 O THR A 21 12.768 10.697 -5.626 1.00 0.00 O ATOM 308 CB THR A 21 14.641 9.231 -3.946 1.00 0.00 C ATOM 309 OG1 THR A 21 15.445 9.375 -5.108 1.00 0.00 O ATOM 310 CG2 THR A 21 15.294 8.231 -2.992 1.00 0.00 C ATOM 0 H THR A 21 12.507 6.778 -4.122 1.00 0.00 H new ATOM 0 HA THR A 21 12.542 8.927 -3.541 1.00 0.00 H new ATOM 0 HB THR A 21 14.547 10.197 -3.449 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.302 8.609 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.283 8.591 -2.709 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.678 8.124 -2.099 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.387 7.264 -3.486 1.00 0.00 H new ATOM 318 N ARG A 22 12.368 8.722 -6.623 1.00 0.00 N ATOM 319 CA ARG A 22 11.880 9.347 -7.854 1.00 0.00 C ATOM 320 C ARG A 22 10.483 9.927 -7.632 1.00 0.00 C ATOM 321 O ARG A 22 9.694 9.388 -6.855 1.00 0.00 O ATOM 322 CB ARG A 22 11.841 8.327 -8.994 1.00 0.00 C ATOM 323 CG ARG A 22 10.684 7.355 -8.776 1.00 0.00 C ATOM 324 CD ARG A 22 10.783 6.217 -9.791 1.00 0.00 C ATOM 325 NE ARG A 22 10.228 4.992 -9.232 1.00 0.00 N ATOM 326 CZ ARG A 22 10.782 3.811 -9.484 1.00 0.00 C ATOM 327 NH1 ARG A 22 10.536 3.201 -10.610 1.00 0.00 N ATOM 328 NH2 ARG A 22 11.575 3.264 -8.605 1.00 0.00 N ATOM 0 H ARG A 22 12.363 7.702 -6.629 1.00 0.00 H new ATOM 0 HA ARG A 22 12.563 10.152 -8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.723 8.839 -9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.783 7.781 -9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.715 6.957 -7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.732 7.874 -8.886 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.247 6.485 -10.701 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.825 6.058 -10.069 1.00 0.00 H new ATOM 0 HE ARG A 22 9.401 5.042 -8.637 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.918 3.631 -11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.962 2.294 -10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.769 3.743 -7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.001 2.357 -8.797 1.00 0.00 H new ATOM 342 N PRO A 23 10.171 11.018 -8.285 1.00 0.00 N ATOM 343 CA PRO A 23 8.848 11.683 -8.140 1.00 0.00 C ATOM 344 C PRO A 23 7.683 10.724 -8.376 1.00 0.00 C ATOM 345 O PRO A 23 6.659 10.807 -7.701 1.00 0.00 O ATOM 346 CB PRO A 23 8.836 12.790 -9.200 1.00 0.00 C ATOM 347 CG PRO A 23 10.138 12.725 -9.935 1.00 0.00 C ATOM 348 CD PRO A 23 11.049 11.725 -9.221 1.00 0.00 C ATOM 0 HA PRO A 23 8.721 12.062 -7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.001 12.653 -9.887 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.708 13.766 -8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.975 12.418 -10.968 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.606 13.709 -9.965 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.510 11.035 -9.928 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.859 12.232 -8.697 1.00 0.00 H new ATOM 356 N LEU A 24 7.838 9.823 -9.343 1.00 0.00 N ATOM 357 CA LEU A 24 6.778 8.869 -9.654 1.00 0.00 C ATOM 358 C LEU A 24 6.372 8.095 -8.401 1.00 0.00 C ATOM 359 O LEU A 24 5.185 7.909 -8.134 1.00 0.00 O ATOM 360 CB LEU A 24 7.252 7.891 -10.731 1.00 0.00 C ATOM 361 CG LEU A 24 6.090 6.985 -11.148 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.230 7.696 -12.197 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.645 5.691 -11.740 1.00 0.00 C ATOM 0 H LEU A 24 8.676 9.734 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 24 5.914 9.421 -10.023 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.627 8.439 -11.595 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.078 7.289 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 24 5.478 6.757 -10.275 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.404 7.048 -12.491 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.834 8.620 -11.777 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.839 7.927 -13.071 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.820 5.044 -12.038 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.257 5.923 -12.612 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.255 5.182 -10.994 1.00 0.00 H new ATOM 375 N SER A 25 7.363 7.658 -7.626 1.00 0.00 N ATOM 376 CA SER A 25 7.091 6.924 -6.398 1.00 0.00 C ATOM 377 C SER A 25 6.397 7.841 -5.404 1.00 0.00 C ATOM 378 O SER A 25 5.426 7.451 -4.754 1.00 0.00 O ATOM 379 CB SER A 25 8.395 6.400 -5.796 1.00 0.00 C ATOM 380 OG SER A 25 9.180 7.498 -5.349 1.00 0.00 O ATOM 0 H SER A 25 8.353 7.799 -7.827 1.00 0.00 H new ATOM 0 HA SER A 25 6.444 6.076 -6.625 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.181 5.728 -4.964 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.946 5.823 -6.539 1.00 0.00 H new ATOM 0 HG SER A 25 9.698 7.857 -6.100 1.00 0.00 H new ATOM 386 N GLN A 26 6.879 9.079 -5.320 1.00 0.00 N ATOM 387 CA GLN A 26 6.265 10.057 -4.437 1.00 0.00 C ATOM 388 C GLN A 26 4.854 10.309 -4.938 1.00 0.00 C ATOM 389 O GLN A 26 3.919 10.520 -4.167 1.00 0.00 O ATOM 390 CB GLN A 26 7.069 11.358 -4.449 1.00 0.00 C ATOM 391 CG GLN A 26 8.478 11.094 -3.913 1.00 0.00 C ATOM 392 CD GLN A 26 9.264 12.399 -3.849 1.00 0.00 C ATOM 393 OE1 GLN A 26 10.419 12.409 -3.425 1.00 0.00 O ATOM 394 NE2 GLN A 26 8.702 13.507 -4.249 1.00 0.00 N ATOM 0 H GLN A 26 7.682 9.422 -5.847 1.00 0.00 H new ATOM 0 HA GLN A 26 6.245 9.684 -3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.123 11.755 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.571 12.111 -3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.421 10.645 -2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.993 10.381 -4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.744 13.495 -4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.220 14.385 -4.211 1.00 0.00 H new ATOM 403 N HIS A 27 4.728 10.249 -6.258 1.00 0.00 N ATOM 404 CA HIS A 27 3.451 10.430 -6.927 1.00 0.00 C ATOM 405 C HIS A 27 2.500 9.336 -6.459 1.00 0.00 C ATOM 406 O HIS A 27 1.396 9.599 -5.973 1.00 0.00 O ATOM 407 CB HIS A 27 3.686 10.288 -8.432 1.00 0.00 C ATOM 408 CG HIS A 27 2.746 11.155 -9.210 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.402 11.283 -8.899 1.00 0.00 N ATOM 410 CD2 HIS A 27 2.957 11.940 -10.311 1.00 0.00 C ATOM 411 CE1 HIS A 27 0.859 12.122 -9.801 1.00 0.00 C ATOM 412 NE2 HIS A 27 1.765 12.554 -10.686 1.00 0.00 N ATOM 0 H HIS A 27 5.508 10.074 -6.891 1.00 0.00 H new ATOM 0 HA HIS A 27 3.025 11.407 -6.701 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.715 10.558 -8.669 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.554 9.247 -8.727 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.905 12.064 -10.813 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.181 12.411 -9.809 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.615 13.194 -11.466 1.00 0.00 H new ATOM 420 N ILE A 28 2.970 8.101 -6.592 1.00 0.00 N ATOM 421 CA ILE A 28 2.203 6.942 -6.172 1.00 0.00 C ATOM 422 C ILE A 28 1.991 6.972 -4.663 1.00 0.00 C ATOM 423 O ILE A 28 0.949 6.543 -4.167 1.00 0.00 O ATOM 424 CB ILE A 28 2.941 5.665 -6.582 1.00 0.00 C ATOM 425 CG1 ILE A 28 2.979 5.576 -8.109 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.225 4.435 -6.016 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.738 4.316 -8.525 1.00 0.00 C ATOM 0 H ILE A 28 3.883 7.880 -6.990 1.00 0.00 H new ATOM 0 HA ILE A 28 1.227 6.960 -6.657 1.00 0.00 H new ATOM 0 HB ILE A 28 3.956 5.695 -6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.965 5.552 -8.508 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.464 6.460 -8.524 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.760 3.533 -6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.199 4.498 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.206 4.397 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.766 4.251 -9.613 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.756 4.360 -8.138 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.234 3.438 -8.122 1.00 0.00 H new ATOM 439 N VAL A 29 2.978 7.491 -3.938 1.00 0.00 N ATOM 440 CA VAL A 29 2.868 7.578 -2.488 1.00 0.00 C ATOM 441 C VAL A 29 1.615 8.349 -2.113 1.00 0.00 C ATOM 442 O VAL A 29 0.855 7.931 -1.240 1.00 0.00 O ATOM 443 CB VAL A 29 4.096 8.273 -1.897 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.803 8.674 -0.450 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.286 7.312 -1.922 1.00 0.00 C ATOM 0 H VAL A 29 3.850 7.852 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 29 2.809 6.568 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 29 4.330 9.161 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.676 9.170 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.952 9.355 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.572 7.784 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.162 7.806 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.051 6.426 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.495 7.018 -2.951 1.00 0.00 H new ATOM 455 N GLN A 30 1.387 9.468 -2.794 1.00 0.00 N ATOM 456 CA GLN A 30 0.199 10.260 -2.524 1.00 0.00 C ATOM 457 C GLN A 30 -1.028 9.405 -2.776 1.00 0.00 C ATOM 458 O GLN A 30 -1.968 9.394 -1.981 1.00 0.00 O ATOM 459 CB GLN A 30 0.148 11.493 -3.429 1.00 0.00 C ATOM 460 CG GLN A 30 1.321 12.419 -3.115 1.00 0.00 C ATOM 461 CD GLN A 30 1.227 12.921 -1.678 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.544 12.188 -0.742 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.806 14.133 -1.447 1.00 0.00 N ATOM 0 H GLN A 30 1.998 9.839 -3.522 1.00 0.00 H new ATOM 0 HA GLN A 30 0.226 10.593 -1.487 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.184 11.189 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.793 12.023 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.262 11.888 -3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.321 13.264 -3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.544 14.739 -2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.739 14.476 -0.489 1.00 0.00 H new ATOM 472 N ARG A 31 -1.002 8.664 -3.881 1.00 0.00 N ATOM 473 CA ARG A 31 -2.117 7.792 -4.214 1.00 0.00 C ATOM 474 C ARG A 31 -2.284 6.739 -3.130 1.00 0.00 C ATOM 475 O ARG A 31 -3.401 6.433 -2.716 1.00 0.00 O ATOM 476 CB ARG A 31 -1.879 7.121 -5.564 1.00 0.00 C ATOM 477 CG ARG A 31 -1.898 8.186 -6.660 1.00 0.00 C ATOM 478 CD ARG A 31 -1.855 7.512 -8.029 1.00 0.00 C ATOM 479 NE ARG A 31 -1.658 8.509 -9.074 1.00 0.00 N ATOM 480 CZ ARG A 31 -1.928 8.236 -10.345 1.00 0.00 C ATOM 481 NH1 ARG A 31 -1.801 7.017 -10.794 1.00 0.00 N ATOM 482 NH2 ARG A 31 -2.324 9.188 -11.146 1.00 0.00 N ATOM 0 H ARG A 31 -0.232 8.651 -4.550 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.027 8.388 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.921 6.600 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.648 6.373 -5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.796 8.797 -6.572 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.045 8.855 -6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.048 6.780 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.784 6.969 -8.205 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.306 9.433 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.494 6.272 -10.168 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.009 6.809 -11.771 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.426 10.140 -10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.532 8.979 -12.123 1.00 0.00 H new ATOM 496 N VAL A 32 -1.168 6.204 -2.653 1.00 0.00 N ATOM 497 CA VAL A 32 -1.218 5.207 -1.596 1.00 0.00 C ATOM 498 C VAL A 32 -1.770 5.841 -0.326 1.00 0.00 C ATOM 499 O VAL A 32 -2.699 5.321 0.291 1.00 0.00 O ATOM 500 CB VAL A 32 0.183 4.657 -1.328 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.156 3.762 -0.090 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.651 3.840 -2.537 1.00 0.00 C ATOM 0 H VAL A 32 -0.230 6.440 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.867 4.388 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 32 0.870 5.486 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.156 3.371 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.175 4.342 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.532 2.933 -0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.650 3.448 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.038 3.012 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.674 4.478 -3.420 1.00 0.00 H new ATOM 512 N LYS A 33 -1.192 6.979 0.048 1.00 0.00 N ATOM 513 CA LYS A 33 -1.628 7.699 1.236 1.00 0.00 C ATOM 514 C LYS A 33 -3.080 8.143 1.105 1.00 0.00 C ATOM 515 O LYS A 33 -3.857 8.058 2.055 1.00 0.00 O ATOM 516 CB LYS A 33 -0.741 8.925 1.440 1.00 0.00 C ATOM 517 CG LYS A 33 0.675 8.482 1.812 1.00 0.00 C ATOM 518 CD LYS A 33 1.509 9.712 2.168 1.00 0.00 C ATOM 519 CE LYS A 33 2.943 9.288 2.496 1.00 0.00 C ATOM 520 NZ LYS A 33 3.903 10.221 1.841 1.00 0.00 N ATOM 0 H LYS A 33 -0.422 7.420 -0.455 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.547 7.030 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.717 9.524 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.153 9.557 2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.643 7.793 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.132 7.946 0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.509 10.416 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.068 10.227 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.096 9.291 3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.119 8.269 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.817 9.742 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.528 10.512 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.036 11.060 2.441 1.00 0.00 H new ATOM 534 N ASN A 34 -3.429 8.637 -0.078 1.00 0.00 N ATOM 535 CA ASN A 34 -4.779 9.119 -0.338 1.00 0.00 C ATOM 536 C ASN A 34 -5.816 7.999 -0.241 1.00 0.00 C ATOM 537 O ASN A 34 -6.874 8.175 0.363 1.00 0.00 O ATOM 538 CB ASN A 34 -4.827 9.741 -1.734 1.00 0.00 C ATOM 539 CG ASN A 34 -3.873 10.934 -1.810 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.806 11.735 -0.877 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.123 11.098 -2.870 1.00 0.00 N ATOM 0 H ASN A 34 -2.794 8.714 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.025 9.862 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.552 8.997 -2.482 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.843 10.063 -1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.482 11.890 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.179 10.434 -3.642 1.00 0.00 H new ATOM 548 N ILE A 35 -5.515 6.857 -0.850 1.00 0.00 N ATOM 549 CA ILE A 35 -6.442 5.724 -0.837 1.00 0.00 C ATOM 550 C ILE A 35 -6.577 5.106 0.552 1.00 0.00 C ATOM 551 O ILE A 35 -7.687 4.912 1.046 1.00 0.00 O ATOM 552 CB ILE A 35 -5.960 4.654 -1.810 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.976 5.211 -3.234 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.883 3.437 -1.728 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.225 4.255 -4.162 1.00 0.00 C ATOM 0 H ILE A 35 -4.645 6.689 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.420 6.102 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.944 4.358 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.003 5.335 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.511 6.197 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.539 2.672 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.870 3.038 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.899 3.733 -1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.235 4.651 -5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.194 4.153 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.709 3.279 -4.148 1.00 0.00 H new ATOM 567 N LEU A 36 -5.446 4.783 1.172 1.00 0.00 N ATOM 568 CA LEU A 36 -5.473 4.172 2.496 1.00 0.00 C ATOM 569 C LEU A 36 -6.180 5.086 3.486 1.00 0.00 C ATOM 570 O LEU A 36 -6.970 4.632 4.314 1.00 0.00 O ATOM 571 CB LEU A 36 -4.046 3.892 2.973 1.00 0.00 C ATOM 572 CG LEU A 36 -3.377 2.898 2.021 1.00 0.00 C ATOM 573 CD1 LEU A 36 -1.985 2.545 2.545 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.226 1.627 1.936 1.00 0.00 C ATOM 0 H LEU A 36 -4.513 4.931 0.786 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.020 3.231 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.474 4.819 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.062 3.488 3.985 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.289 3.346 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.509 1.837 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.380 3.449 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.072 2.097 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.752 0.917 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.313 1.181 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.219 1.877 1.562 1.00 0.00 H new ATOM 586 N ALA A 37 -5.908 6.376 3.381 1.00 0.00 N ATOM 587 CA ALA A 37 -6.539 7.352 4.253 1.00 0.00 C ATOM 588 C ALA A 37 -8.013 7.486 3.899 1.00 0.00 C ATOM 589 O ALA A 37 -8.798 8.050 4.661 1.00 0.00 O ATOM 590 CB ALA A 37 -5.849 8.710 4.112 1.00 0.00 C ATOM 0 H ALA A 37 -5.256 6.771 2.703 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.446 7.013 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.331 9.433 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.798 8.614 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.926 9.052 3.080 1.00 0.00 H new ATOM 596 N ALA A 38 -8.382 6.977 2.723 1.00 0.00 N ATOM 597 CA ALA A 38 -9.764 7.065 2.272 1.00 0.00 C ATOM 598 C ALA A 38 -10.615 5.941 2.857 1.00 0.00 C ATOM 599 O ALA A 38 -11.840 6.051 2.919 1.00 0.00 O ATOM 600 CB ALA A 38 -9.819 7.001 0.745 1.00 0.00 C ATOM 0 H ALA A 38 -7.750 6.506 2.076 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.167 8.016 2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.856 7.067 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.251 7.831 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.390 6.059 0.405 1.00 0.00 H new ATOM 606 N VAL A 39 -9.970 4.859 3.280 1.00 0.00 N ATOM 607 CA VAL A 39 -10.702 3.733 3.847 1.00 0.00 C ATOM 608 C VAL A 39 -10.892 3.904 5.352 1.00 0.00 C ATOM 609 O VAL A 39 -11.662 3.171 5.975 1.00 0.00 O ATOM 610 CB VAL A 39 -9.964 2.422 3.564 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.596 2.432 4.251 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.792 1.250 4.096 1.00 0.00 C ATOM 0 H VAL A 39 -8.958 4.738 3.242 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.685 3.701 3.376 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.822 2.316 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.078 1.495 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.004 3.265 3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.730 2.543 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.269 0.315 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.935 1.363 5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.763 1.236 3.601 1.00 0.00 H new ATOM 622 N GLU A 40 -10.189 4.871 5.931 1.00 0.00 N ATOM 623 CA GLU A 40 -10.293 5.122 7.363 1.00 0.00 C ATOM 624 C GLU A 40 -10.403 3.805 8.127 1.00 0.00 C ATOM 625 O GLU A 40 -9.441 3.041 8.204 1.00 0.00 O ATOM 626 CB GLU A 40 -11.518 5.990 7.651 1.00 0.00 C ATOM 627 CG GLU A 40 -11.513 6.406 9.121 1.00 0.00 C ATOM 628 CD GLU A 40 -12.778 7.194 9.444 1.00 0.00 C ATOM 629 OE1 GLU A 40 -13.586 7.373 8.548 1.00 0.00 O ATOM 630 OE2 GLU A 40 -12.920 7.608 10.583 1.00 0.00 O ATOM 0 H GLU A 40 -9.546 5.489 5.436 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.395 5.645 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.510 6.873 7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.430 5.439 7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.452 5.523 9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.633 7.013 9.333 1.00 0.00 H new ATOM 637 N ALA A 41 -11.580 3.545 8.687 1.00 0.00 N ATOM 638 CA ALA A 41 -11.801 2.315 9.441 1.00 0.00 C ATOM 639 C ALA A 41 -11.338 2.478 10.884 1.00 0.00 C ATOM 640 O ALA A 41 -10.610 3.416 11.211 1.00 0.00 O ATOM 641 CB ALA A 41 -11.039 1.159 8.787 1.00 0.00 C ATOM 0 H ALA A 41 -12.390 4.163 8.634 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.869 2.097 9.438 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.208 0.244 9.355 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.392 1.022 7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.973 1.386 8.775 1.00 0.00 H new ATOM 647 N THR A 42 -11.762 1.557 11.745 1.00 0.00 N ATOM 648 CA THR A 42 -11.381 1.607 13.151 1.00 0.00 C ATOM 649 C THR A 42 -9.930 1.175 13.321 1.00 0.00 C ATOM 650 O THR A 42 -9.367 1.262 14.412 1.00 0.00 O ATOM 651 CB THR A 42 -12.291 0.685 13.968 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.049 -0.665 13.598 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.753 1.037 13.692 1.00 0.00 C ATOM 0 H THR A 42 -12.365 0.773 11.495 1.00 0.00 H new ATOM 0 HA THR A 42 -11.489 2.632 13.507 1.00 0.00 H new ATOM 0 HB THR A 42 -12.082 0.814 15.030 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.629 -1.257 14.121 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.401 0.381 14.273 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.937 2.073 13.975 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.964 0.908 12.630 1.00 0.00 H new ATOM 661 N VAL A 43 -9.332 0.706 12.230 1.00 0.00 N ATOM 662 CA VAL A 43 -7.951 0.258 12.254 1.00 0.00 C ATOM 663 C VAL A 43 -7.135 0.974 11.178 1.00 0.00 C ATOM 664 O VAL A 43 -6.919 0.436 10.093 1.00 0.00 O ATOM 665 CB VAL A 43 -7.905 -1.248 12.011 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.209 -1.989 13.314 1.00 0.00 C ATOM 667 CG2 VAL A 43 -8.952 -1.625 10.961 1.00 0.00 C ATOM 0 H VAL A 43 -9.786 0.628 11.320 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.522 0.490 13.229 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.912 -1.526 11.658 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.175 -3.064 13.138 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.467 -1.721 14.066 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.201 -1.710 13.668 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.921 -2.700 10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.943 -1.344 11.318 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.739 -1.100 10.030 1.00 0.00 H new ATOM 677 N PRO A 44 -6.686 2.172 11.457 1.00 0.00 N ATOM 678 CA PRO A 44 -5.885 2.964 10.484 1.00 0.00 C ATOM 679 C PRO A 44 -4.607 2.236 10.073 1.00 0.00 C ATOM 680 O PRO A 44 -4.065 1.435 10.834 1.00 0.00 O ATOM 681 CB PRO A 44 -5.559 4.280 11.201 1.00 0.00 C ATOM 682 CG PRO A 44 -6.183 4.224 12.562 1.00 0.00 C ATOM 683 CD PRO A 44 -6.897 2.880 12.724 1.00 0.00 C ATOM 0 HA PRO A 44 -6.439 3.127 9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.480 4.415 11.280 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.946 5.129 10.637 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.420 4.341 13.332 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.890 5.044 12.687 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.488 2.316 13.562 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.959 3.021 12.923 1.00 0.00 H new ATOM 691 N ILE A 45 -4.137 2.513 8.860 1.00 0.00 N ATOM 692 CA ILE A 45 -2.929 1.869 8.356 1.00 0.00 C ATOM 693 C ILE A 45 -1.736 2.813 8.427 1.00 0.00 C ATOM 694 O ILE A 45 -1.867 4.014 8.199 1.00 0.00 O ATOM 695 CB ILE A 45 -3.123 1.435 6.903 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.399 0.599 6.783 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.918 0.599 6.458 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.573 1.511 6.423 1.00 0.00 C ATOM 0 H ILE A 45 -4.570 3.173 8.213 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.737 0.998 8.982 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.209 2.317 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.273 -0.169 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.599 0.084 7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.054 0.288 5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.010 1.196 6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.832 -0.283 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.483 0.917 6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.703 2.262 7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.372 2.005 5.473 1.00 0.00 H new ATOM 710 N SER A 46 -0.567 2.256 8.727 1.00 0.00 N ATOM 711 CA SER A 46 0.647 3.056 8.802 1.00 0.00 C ATOM 712 C SER A 46 1.489 2.836 7.551 1.00 0.00 C ATOM 713 O SER A 46 1.786 1.698 7.184 1.00 0.00 O ATOM 714 CB SER A 46 1.454 2.672 10.041 1.00 0.00 C ATOM 715 OG SER A 46 2.578 3.534 10.153 1.00 0.00 O ATOM 0 H SER A 46 -0.436 1.263 8.920 1.00 0.00 H new ATOM 0 HA SER A 46 0.372 4.109 8.870 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.832 2.748 10.933 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.782 1.635 9.969 1.00 0.00 H new ATOM 0 HG SER A 46 3.098 3.292 10.948 1.00 0.00 H new ATOM 721 N LEU A 47 1.863 3.927 6.894 1.00 0.00 N ATOM 722 CA LEU A 47 2.660 3.835 5.678 1.00 0.00 C ATOM 723 C LEU A 47 4.112 4.200 5.963 1.00 0.00 C ATOM 724 O LEU A 47 4.398 5.255 6.530 1.00 0.00 O ATOM 725 CB LEU A 47 2.094 4.785 4.619 1.00 0.00 C ATOM 726 CG LEU A 47 2.325 4.218 3.214 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.064 5.315 2.182 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.768 3.727 3.068 1.00 0.00 C ATOM 0 H LEU A 47 1.630 4.878 7.180 1.00 0.00 H new ATOM 0 HA LEU A 47 2.620 2.809 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.027 4.933 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.569 5.762 4.706 1.00 0.00 H new ATOM 0 HG LEU A 47 1.647 3.380 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.227 4.918 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.035 5.662 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.744 6.148 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.917 3.327 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.454 4.558 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.963 2.946 3.803 1.00 0.00 H new ATOM 740 N GLN A 48 5.028 3.331 5.554 1.00 0.00 N ATOM 741 CA GLN A 48 6.448 3.583 5.761 1.00 0.00 C ATOM 742 C GLN A 48 7.206 3.401 4.450 1.00 0.00 C ATOM 743 O GLN A 48 7.049 2.392 3.766 1.00 0.00 O ATOM 744 CB GLN A 48 7.004 2.631 6.821 1.00 0.00 C ATOM 745 CG GLN A 48 7.308 3.408 8.103 1.00 0.00 C ATOM 746 CD GLN A 48 8.601 4.197 7.936 1.00 0.00 C ATOM 747 OE1 GLN A 48 8.673 5.106 7.109 1.00 0.00 O ATOM 748 NE2 GLN A 48 9.635 3.899 8.674 1.00 0.00 N ATOM 0 H GLN A 48 4.816 2.453 5.081 1.00 0.00 H new ATOM 0 HA GLN A 48 6.576 4.609 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.284 1.839 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.910 2.150 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.485 4.085 8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.398 2.720 8.943 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.573 3.145 9.359 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.505 4.420 8.566 1.00 0.00 H new ATOM 757 N VAL A 49 8.021 4.386 4.103 1.00 0.00 N ATOM 758 CA VAL A 49 8.787 4.319 2.865 1.00 0.00 C ATOM 759 C VAL A 49 10.223 3.906 3.137 1.00 0.00 C ATOM 760 O VAL A 49 10.882 4.454 4.020 1.00 0.00 O ATOM 761 CB VAL A 49 8.794 5.673 2.155 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.379 5.507 0.750 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.363 6.209 2.059 1.00 0.00 C ATOM 0 H VAL A 49 8.169 5.232 4.653 1.00 0.00 H new ATOM 0 HA VAL A 49 8.308 3.575 2.229 1.00 0.00 H new ATOM 0 HB VAL A 49 9.404 6.378 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.385 6.471 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.399 5.129 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.770 4.802 0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.369 7.174 1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.749 5.507 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.951 6.328 3.061 1.00 0.00 H new ATOM 773 N ILE A 50 10.707 2.955 2.356 1.00 0.00 N ATOM 774 CA ILE A 50 12.072 2.496 2.501 1.00 0.00 C ATOM 775 C ILE A 50 12.843 2.842 1.239 1.00 0.00 C ATOM 776 O ILE A 50 12.452 2.448 0.141 1.00 0.00 O ATOM 777 CB ILE A 50 12.090 0.983 2.714 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.078 0.618 3.799 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.491 0.548 3.151 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.078 -0.896 4.016 1.00 0.00 C ATOM 0 H ILE A 50 10.176 2.490 1.620 1.00 0.00 H new ATOM 0 HA ILE A 50 12.533 2.980 3.362 1.00 0.00 H new ATOM 0 HB ILE A 50 11.828 0.476 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.328 1.128 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.082 0.953 3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.506 -0.531 3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.212 0.815 2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.754 1.050 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.355 -1.153 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.807 -1.397 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.072 -1.219 4.326 1.00 0.00 H new ATOM 792 N ASN A 51 13.935 3.577 1.387 1.00 0.00 N ATOM 793 CA ASN A 51 14.721 3.949 0.229 1.00 0.00 C ATOM 794 C ASN A 51 15.642 2.795 -0.149 1.00 0.00 C ATOM 795 O ASN A 51 16.602 2.500 0.561 1.00 0.00 O ATOM 796 CB ASN A 51 15.552 5.196 0.533 1.00 0.00 C ATOM 797 CG ASN A 51 14.650 6.425 0.597 1.00 0.00 C ATOM 798 OD1 ASN A 51 13.480 6.358 0.222 1.00 0.00 O ATOM 799 ND2 ASN A 51 15.133 7.553 1.044 1.00 0.00 N ATOM 0 H ASN A 51 14.289 3.920 2.280 1.00 0.00 H new ATOM 0 HA ASN A 51 14.051 4.169 -0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.077 5.071 1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.312 5.333 -0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.540 8.382 1.083 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.103 7.605 1.354 1.00 0.00 H new ATOM 806 N VAL A 52 15.339 2.134 -1.260 1.00 0.00 N ATOM 807 CA VAL A 52 16.146 0.997 -1.691 1.00 0.00 C ATOM 808 C VAL A 52 17.619 1.378 -1.751 1.00 0.00 C ATOM 809 O VAL A 52 18.496 0.518 -1.693 1.00 0.00 O ATOM 810 CB VAL A 52 15.681 0.510 -3.064 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.216 0.073 -2.977 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.818 1.643 -4.084 1.00 0.00 C ATOM 0 H VAL A 52 14.554 2.360 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 52 16.021 0.193 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 52 16.295 -0.334 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.881 -0.275 -3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.120 -0.735 -2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.602 0.917 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.486 1.294 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.205 2.489 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.861 1.954 -4.144 1.00 0.00 H new ATOM 822 N ALA A 53 17.883 2.673 -1.851 1.00 0.00 N ATOM 823 CA ALA A 53 19.252 3.157 -1.900 1.00 0.00 C ATOM 824 C ALA A 53 19.891 3.082 -0.517 1.00 0.00 C ATOM 825 O ALA A 53 21.101 3.262 -0.375 1.00 0.00 O ATOM 826 CB ALA A 53 19.279 4.603 -2.400 1.00 0.00 C ATOM 0 H ALA A 53 17.171 3.402 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 53 19.818 2.527 -2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.309 4.957 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.846 4.651 -3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.701 5.233 -1.724 1.00 0.00 H new ATOM 832 N ASP A 54 19.073 2.829 0.504 1.00 0.00 N ATOM 833 CA ASP A 54 19.583 2.753 1.861 1.00 0.00 C ATOM 834 C ASP A 54 19.748 1.306 2.304 1.00 0.00 C ATOM 835 O ASP A 54 20.731 0.958 2.959 1.00 0.00 O ATOM 836 CB ASP A 54 18.631 3.472 2.816 1.00 0.00 C ATOM 837 CG ASP A 54 18.567 4.955 2.467 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.370 5.387 1.656 1.00 0.00 O ATOM 839 OD2 ASP A 54 17.714 5.636 3.013 1.00 0.00 O ATOM 0 H ASP A 54 18.069 2.676 0.414 1.00 0.00 H new ATOM 0 HA ASP A 54 20.560 3.236 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.636 3.031 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.970 3.346 3.844 1.00 0.00 H new ATOM 844 N GLN A 55 18.775 0.465 1.962 1.00 0.00 N ATOM 845 CA GLN A 55 18.830 -0.932 2.356 1.00 0.00 C ATOM 846 C GLN A 55 18.446 -1.851 1.200 1.00 0.00 C ATOM 847 O GLN A 55 17.430 -2.544 1.247 1.00 0.00 O ATOM 848 CB GLN A 55 17.898 -1.146 3.542 1.00 0.00 C ATOM 849 CG GLN A 55 16.482 -0.696 3.177 1.00 0.00 C ATOM 850 CD GLN A 55 16.345 0.804 3.398 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.677 1.309 4.470 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.874 1.552 2.441 1.00 0.00 N ATOM 0 H GLN A 55 17.951 0.726 1.420 1.00 0.00 H new ATOM 0 HA GLN A 55 19.853 -1.181 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.893 -2.198 3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.257 -0.584 4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.270 -0.940 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.752 -1.231 3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.599 1.131 1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.780 2.558 2.579 1.00 0.00 H new ATOM 861 N PRO A 56 19.254 -1.873 0.178 1.00 0.00 N ATOM 862 CA PRO A 56 19.020 -2.726 -1.015 1.00 0.00 C ATOM 863 C PRO A 56 19.167 -4.209 -0.691 1.00 0.00 C ATOM 864 O PRO A 56 18.870 -5.070 -1.518 1.00 0.00 O ATOM 865 CB PRO A 56 20.077 -2.286 -2.033 1.00 0.00 C ATOM 866 CG PRO A 56 20.875 -1.182 -1.405 1.00 0.00 C ATOM 867 CD PRO A 56 20.483 -1.084 0.067 1.00 0.00 C ATOM 0 HA PRO A 56 18.005 -2.607 -1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.723 -3.122 -2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.604 -1.942 -2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 56 21.942 -1.383 -1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.681 -0.237 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.267 -1.479 0.713 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.317 -0.049 0.365 1.00 0.00 H new ATOM 875 N GLN A 57 19.642 -4.495 0.514 1.00 0.00 N ATOM 876 CA GLN A 57 19.842 -5.875 0.940 1.00 0.00 C ATOM 877 C GLN A 57 18.521 -6.584 1.199 1.00 0.00 C ATOM 878 O GLN A 57 18.315 -7.709 0.741 1.00 0.00 O ATOM 879 CB GLN A 57 20.672 -5.909 2.221 1.00 0.00 C ATOM 880 CG GLN A 57 20.628 -7.319 2.813 1.00 0.00 C ATOM 881 CD GLN A 57 21.545 -7.404 4.028 1.00 0.00 C ATOM 882 OE1 GLN A 57 22.317 -6.481 4.289 1.00 0.00 O ATOM 883 NE2 GLN A 57 21.506 -8.463 4.791 1.00 0.00 N ATOM 0 H GLN A 57 19.895 -3.795 1.211 1.00 0.00 H new ATOM 0 HA GLN A 57 20.362 -6.391 0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.702 -5.623 2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.283 -5.188 2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.607 -7.570 3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.937 -8.047 2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.865 -9.226 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.116 -8.527 5.606 1.00 0.00 H new ATOM 892 N LEU A 58 17.626 -5.937 1.932 1.00 0.00 N ATOM 893 CA LEU A 58 16.347 -6.548 2.228 1.00 0.00 C ATOM 894 C LEU A 58 15.496 -6.571 0.963 1.00 0.00 C ATOM 895 O LEU A 58 14.635 -7.433 0.792 1.00 0.00 O ATOM 896 CB LEU A 58 15.654 -5.784 3.359 1.00 0.00 C ATOM 897 CG LEU A 58 14.776 -4.681 2.783 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.411 -5.265 2.457 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.610 -3.563 3.816 1.00 0.00 C ATOM 0 H LEU A 58 17.762 -5.005 2.325 1.00 0.00 H new ATOM 0 HA LEU A 58 16.492 -7.575 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.049 -6.468 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.399 -5.354 4.028 1.00 0.00 H new ATOM 0 HG LEU A 58 15.238 -4.275 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.771 -4.486 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.523 -6.067 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.958 -5.661 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.981 -2.775 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.143 -3.965 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.588 -3.152 4.068 1.00 0.00 H new ATOM 911 N VAL A 59 15.778 -5.634 0.062 1.00 0.00 N ATOM 912 CA VAL A 59 15.069 -5.563 -1.208 1.00 0.00 C ATOM 913 C VAL A 59 15.333 -6.835 -2.006 1.00 0.00 C ATOM 914 O VAL A 59 14.418 -7.420 -2.584 1.00 0.00 O ATOM 915 CB VAL A 59 15.570 -4.349 -1.995 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.935 -4.317 -3.382 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.204 -3.070 -1.242 1.00 0.00 C ATOM 0 H VAL A 59 16.491 -4.916 0.189 1.00 0.00 H new ATOM 0 HA VAL A 59 13.998 -5.465 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 59 16.652 -4.420 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.301 -3.448 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.199 -5.225 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.851 -4.254 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.560 -2.204 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.121 -3.010 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.670 -3.082 -0.256 1.00 0.00 H new ATOM 927 N GLU A 60 16.594 -7.256 -2.028 1.00 0.00 N ATOM 928 CA GLU A 60 16.971 -8.459 -2.756 1.00 0.00 C ATOM 929 C GLU A 60 16.372 -9.693 -2.093 1.00 0.00 C ATOM 930 O GLU A 60 15.993 -10.649 -2.769 1.00 0.00 O ATOM 931 CB GLU A 60 18.494 -8.586 -2.813 1.00 0.00 C ATOM 932 CG GLU A 60 19.063 -7.445 -3.657 1.00 0.00 C ATOM 933 CD GLU A 60 20.575 -7.591 -3.786 1.00 0.00 C ATOM 934 OE1 GLU A 60 21.127 -8.446 -3.112 1.00 0.00 O ATOM 935 OE2 GLU A 60 21.159 -6.848 -4.557 1.00 0.00 O ATOM 0 H GLU A 60 17.365 -6.785 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 60 16.582 -8.384 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.911 -8.553 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.775 -9.547 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.604 -7.450 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.820 -6.487 -3.198 1.00 0.00 H new ATOM 942 N TYR A 61 16.275 -9.664 -0.766 1.00 0.00 N ATOM 943 CA TYR A 61 15.703 -10.791 -0.042 1.00 0.00 C ATOM 944 C TYR A 61 14.303 -11.077 -0.570 1.00 0.00 C ATOM 945 O TYR A 61 13.934 -12.232 -0.790 1.00 0.00 O ATOM 946 CB TYR A 61 15.643 -10.484 1.457 1.00 0.00 C ATOM 947 CG TYR A 61 15.150 -11.700 2.204 1.00 0.00 C ATOM 948 CD1 TYR A 61 16.050 -12.702 2.586 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.792 -11.825 2.518 1.00 0.00 C ATOM 950 CE1 TYR A 61 15.593 -13.828 3.282 1.00 0.00 C ATOM 951 CE2 TYR A 61 13.333 -12.952 3.213 1.00 0.00 C ATOM 952 CZ TYR A 61 14.233 -13.952 3.595 1.00 0.00 C ATOM 953 OH TYR A 61 13.781 -15.061 4.281 1.00 0.00 O ATOM 0 H TYR A 61 16.580 -8.886 -0.181 1.00 0.00 H new ATOM 0 HA TYR A 61 16.333 -11.667 -0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.630 -10.198 1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.979 -9.639 1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 61 17.098 -12.606 2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.097 -11.052 2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 61 16.288 -14.600 3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.285 -13.048 3.454 1.00 0.00 H new ATOM 0 HH TYR A 61 12.813 -14.989 4.418 1.00 0.00 H new ATOM 963 N TYR A 62 13.538 -10.014 -0.795 1.00 0.00 N ATOM 964 CA TYR A 62 12.193 -10.150 -1.323 1.00 0.00 C ATOM 965 C TYR A 62 12.232 -10.164 -2.846 1.00 0.00 C ATOM 966 O TYR A 62 11.192 -10.085 -3.503 1.00 0.00 O ATOM 967 CB TYR A 62 11.330 -8.973 -0.860 1.00 0.00 C ATOM 968 CG TYR A 62 11.070 -9.046 0.628 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.500 -10.194 1.196 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.388 -7.948 1.441 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.252 -10.243 2.574 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.140 -7.999 2.817 1.00 0.00 C ATOM 973 CZ TYR A 62 10.572 -9.146 3.383 1.00 0.00 C ATOM 974 OH TYR A 62 10.326 -9.196 4.740 1.00 0.00 O ATOM 0 H TYR A 62 13.829 -9.052 -0.619 1.00 0.00 H new ATOM 0 HA TYR A 62 11.767 -11.085 -0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.829 -8.034 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.383 -8.977 -1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.252 -11.040 0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.825 -7.062 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.814 -11.127 3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.387 -7.154 3.442 1.00 0.00 H new ATOM 0 HH TYR A 62 10.607 -8.354 5.155 1.00 0.00 H new ATOM 984 N ARG A 63 13.437 -10.235 -3.407 1.00 0.00 N ATOM 985 CA ARG A 63 13.587 -10.222 -4.856 1.00 0.00 C ATOM 986 C ARG A 63 12.979 -8.941 -5.405 1.00 0.00 C ATOM 987 O ARG A 63 12.806 -8.772 -6.612 1.00 0.00 O ATOM 988 CB ARG A 63 12.901 -11.434 -5.467 1.00 0.00 C ATOM 989 CG ARG A 63 13.619 -12.694 -4.993 1.00 0.00 C ATOM 990 CD ARG A 63 13.392 -13.811 -6.003 1.00 0.00 C ATOM 991 NE ARG A 63 14.228 -13.605 -7.180 1.00 0.00 N ATOM 992 CZ ARG A 63 15.507 -13.266 -7.061 1.00 0.00 C ATOM 993 NH1 ARG A 63 16.395 -14.169 -6.742 1.00 0.00 N ATOM 994 NH2 ARG A 63 15.876 -12.030 -7.258 1.00 0.00 N ATOM 0 H ARG A 63 14.312 -10.301 -2.887 1.00 0.00 H new ATOM 0 HA ARG A 63 14.645 -10.263 -5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.852 -11.463 -5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.924 -11.373 -6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.686 -12.499 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.246 -12.992 -4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 63 13.623 -14.774 -5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.342 -13.840 -6.294 1.00 0.00 H new ATOM 0 HE ARG A 63 13.824 -13.723 -8.109 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.107 -15.135 -6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.377 -13.909 -6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.182 -11.324 -7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 63 16.858 -11.770 -7.166 1.00 0.00 H new ATOM 1008 N LEU A 64 12.651 -8.047 -4.478 1.00 0.00 N ATOM 1009 CA LEU A 64 12.046 -6.765 -4.806 1.00 0.00 C ATOM 1010 C LEU A 64 12.972 -5.936 -5.690 1.00 0.00 C ATOM 1011 O LEU A 64 13.417 -4.858 -5.303 1.00 0.00 O ATOM 1012 CB LEU A 64 11.760 -6.022 -3.496 1.00 0.00 C ATOM 1013 CG LEU A 64 10.677 -4.959 -3.682 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.181 -3.834 -4.581 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.434 -5.591 -4.297 1.00 0.00 C ATOM 0 H LEU A 64 12.798 -8.193 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 64 11.121 -6.928 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.445 -6.734 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.675 -5.552 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 64 10.427 -4.542 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.397 -3.086 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.057 -3.371 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.449 -4.240 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.665 -4.829 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.686 -6.022 -5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.060 -6.375 -3.638 1.00 0.00 H new ATOM 1027 N VAL A 65 13.250 -6.440 -6.879 1.00 0.00 N ATOM 1028 CA VAL A 65 14.125 -5.737 -7.805 1.00 0.00 C ATOM 1029 C VAL A 65 13.343 -4.712 -8.618 1.00 0.00 C ATOM 1030 O VAL A 65 13.904 -4.034 -9.478 1.00 0.00 O ATOM 1031 CB VAL A 65 14.776 -6.737 -8.754 1.00 0.00 C ATOM 1032 CG1 VAL A 65 16.050 -6.131 -9.345 1.00 0.00 C ATOM 1033 CG2 VAL A 65 15.126 -8.013 -7.986 1.00 0.00 C ATOM 0 H VAL A 65 12.886 -7.327 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 65 14.890 -5.218 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 65 14.082 -6.975 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.513 -6.848 -10.023 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.800 -5.222 -9.893 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.745 -5.890 -8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.592 -8.729 -8.663 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.818 -7.774 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 65 14.218 -8.447 -7.568 1.00 0.00 H new ATOM 1043 N VAL A 66 12.046 -4.604 -8.346 1.00 0.00 N ATOM 1044 CA VAL A 66 11.213 -3.660 -9.071 1.00 0.00 C ATOM 1045 C VAL A 66 10.798 -2.499 -8.177 1.00 0.00 C ATOM 1046 O VAL A 66 10.453 -2.692 -7.011 1.00 0.00 O ATOM 1047 CB VAL A 66 9.960 -4.361 -9.584 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.332 -5.338 -10.697 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.297 -5.121 -8.434 1.00 0.00 C ATOM 0 H VAL A 66 11.557 -5.152 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 66 11.794 -3.272 -9.908 1.00 0.00 H new ATOM 0 HB VAL A 66 9.267 -3.618 -9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.433 -5.836 -11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.801 -4.794 -11.517 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.028 -6.082 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.401 -5.623 -8.799 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.992 -5.861 -8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.025 -4.421 -7.644 1.00 0.00 H new ATOM 1059 N THR A 67 10.814 -1.299 -8.740 1.00 0.00 N ATOM 1060 CA THR A 67 10.416 -0.115 -7.994 1.00 0.00 C ATOM 1061 C THR A 67 9.598 0.816 -8.889 1.00 0.00 C ATOM 1062 O THR A 67 9.832 0.887 -10.096 1.00 0.00 O ATOM 1063 CB THR A 67 11.647 0.622 -7.466 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.596 0.770 -8.513 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.266 -0.178 -6.318 1.00 0.00 C ATOM 0 H THR A 67 11.096 -1.121 -9.704 1.00 0.00 H new ATOM 0 HA THR A 67 9.805 -0.427 -7.147 1.00 0.00 H new ATOM 0 HB THR A 67 11.355 1.607 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.384 1.244 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.144 0.347 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.536 -0.287 -5.516 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.560 -1.164 -6.678 1.00 0.00 H new ATOM 1073 N PRO A 68 8.651 1.523 -8.331 1.00 0.00 N ATOM 1074 CA PRO A 68 8.335 1.469 -6.879 1.00 0.00 C ATOM 1075 C PRO A 68 7.599 0.185 -6.512 1.00 0.00 C ATOM 1076 O PRO A 68 7.130 -0.544 -7.386 1.00 0.00 O ATOM 1077 CB PRO A 68 7.445 2.694 -6.627 1.00 0.00 C ATOM 1078 CG PRO A 68 7.284 3.397 -7.942 1.00 0.00 C ATOM 1079 CD PRO A 68 7.773 2.454 -9.037 1.00 0.00 C ATOM 0 HA PRO A 68 9.239 1.477 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.476 2.392 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.899 3.355 -5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.240 3.665 -8.107 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.857 4.324 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.944 1.935 -9.517 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.308 2.993 -9.819 1.00 0.00 H new ATOM 1087 N ALA A 69 7.509 -0.092 -5.217 1.00 0.00 N ATOM 1088 CA ALA A 69 6.836 -1.297 -4.761 1.00 0.00 C ATOM 1089 C ALA A 69 6.183 -1.066 -3.403 1.00 0.00 C ATOM 1090 O ALA A 69 6.633 -0.233 -2.618 1.00 0.00 O ATOM 1091 CB ALA A 69 7.842 -2.441 -4.642 1.00 0.00 C ATOM 0 H ALA A 69 7.889 0.494 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 69 6.066 -1.555 -5.489 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.331 -3.341 -4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.296 -2.629 -5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.618 -2.170 -3.926 1.00 0.00 H new ATOM 1097 N LEU A 70 5.124 -1.816 -3.134 1.00 0.00 N ATOM 1098 CA LEU A 70 4.409 -1.697 -1.872 1.00 0.00 C ATOM 1099 C LEU A 70 4.185 -3.081 -1.278 1.00 0.00 C ATOM 1100 O LEU A 70 3.670 -3.973 -1.951 1.00 0.00 O ATOM 1101 CB LEU A 70 3.065 -1.006 -2.106 1.00 0.00 C ATOM 1102 CG LEU A 70 2.521 -0.482 -0.782 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.318 0.421 -1.051 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.093 -1.661 0.089 1.00 0.00 C ATOM 0 H LEU A 70 4.741 -2.513 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 70 5.000 -1.102 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.185 -0.184 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.357 -1.706 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 70 3.294 0.089 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.927 0.797 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.625 1.260 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.543 -0.149 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.703 -1.290 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.318 -2.230 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.952 -2.305 0.277 1.00 0.00 H new ATOM 1116 N VAL A 71 4.588 -3.270 -0.024 1.00 0.00 N ATOM 1117 CA VAL A 71 4.429 -4.571 0.610 1.00 0.00 C ATOM 1118 C VAL A 71 3.751 -4.471 1.971 1.00 0.00 C ATOM 1119 O VAL A 71 4.179 -3.713 2.841 1.00 0.00 O ATOM 1120 CB VAL A 71 5.799 -5.231 0.777 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.619 -6.661 1.293 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.515 -5.261 -0.574 1.00 0.00 C ATOM 0 H VAL A 71 5.018 -2.554 0.561 1.00 0.00 H new ATOM 0 HA VAL A 71 3.791 -5.173 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 71 6.393 -4.662 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.595 -7.131 1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.108 -6.639 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.026 -7.233 0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.492 -5.731 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.921 -5.831 -1.288 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.644 -4.242 -0.940 1.00 0.00 H new ATOM 1132 N LYS A 72 2.710 -5.277 2.150 1.00 0.00 N ATOM 1133 CA LYS A 72 1.985 -5.323 3.412 1.00 0.00 C ATOM 1134 C LYS A 72 2.579 -6.422 4.286 1.00 0.00 C ATOM 1135 O LYS A 72 2.685 -7.570 3.856 1.00 0.00 O ATOM 1136 CB LYS A 72 0.501 -5.596 3.152 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.264 -5.583 4.477 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.318 -6.994 5.072 1.00 0.00 C ATOM 1139 CE LYS A 72 -1.514 -7.099 6.018 1.00 0.00 C ATOM 1140 NZ LYS A 72 -1.671 -8.511 6.463 1.00 0.00 N ATOM 0 H LYS A 72 2.350 -5.908 1.434 1.00 0.00 H new ATOM 0 HA LYS A 72 2.075 -4.365 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.095 -4.841 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.379 -6.561 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.220 -4.903 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.275 -5.209 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.404 -7.734 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.605 -7.210 5.610 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.368 -6.449 6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.420 -6.762 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.370 -8.557 7.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.995 -9.093 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.757 -8.871 6.805 1.00 0.00 H new ATOM 1154 N ILE A 73 2.990 -6.067 5.498 1.00 0.00 N ATOM 1155 CA ILE A 73 3.600 -7.051 6.388 1.00 0.00 C ATOM 1156 C ILE A 73 2.616 -7.574 7.430 1.00 0.00 C ATOM 1157 O ILE A 73 2.804 -8.669 7.959 1.00 0.00 O ATOM 1158 CB ILE A 73 4.832 -6.453 7.073 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.666 -4.935 7.203 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.079 -6.761 6.242 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.188 -4.251 5.936 1.00 0.00 C ATOM 0 H ILE A 73 2.915 -5.125 5.883 1.00 0.00 H new ATOM 0 HA ILE A 73 3.904 -7.900 5.775 1.00 0.00 H new ATOM 0 HB ILE A 73 4.939 -6.890 8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.616 -4.686 7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.211 -4.573 8.075 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.956 -6.335 6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.201 -7.841 6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.970 -6.327 5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.069 -3.172 6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.243 -4.490 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.624 -4.604 5.073 1.00 0.00 H new ATOM 1173 N GLY A 74 1.559 -6.821 7.716 1.00 0.00 N ATOM 1174 CA GLY A 74 0.577 -7.289 8.689 1.00 0.00 C ATOM 1175 C GLY A 74 -0.128 -6.140 9.405 1.00 0.00 C ATOM 1176 O GLY A 74 0.130 -4.968 9.130 1.00 0.00 O ATOM 0 H GLY A 74 1.362 -5.910 7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.165 -7.908 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.072 -7.922 9.425 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.013 -6.465 10.317 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.336 -7.878 10.661 1.00 0.00 C ATOM 1182 C PRO A 75 -2.013 -8.608 9.507 1.00 0.00 C ATOM 1183 O PRO A 75 -2.514 -7.983 8.572 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.265 -7.796 11.879 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.443 -6.348 12.211 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.798 -5.513 11.105 1.00 0.00 C ATOM 0 HA PRO A 75 -0.430 -8.447 10.872 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.227 -8.260 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.837 -8.334 12.725 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.502 -6.107 12.298 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.984 -6.121 13.173 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.553 -5.021 10.491 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.165 -4.729 11.521 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.008 -9.934 9.572 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.608 -10.742 8.519 1.00 0.00 C ATOM 1196 C GLY A 76 -1.532 -11.300 7.593 1.00 0.00 C ATOM 1197 O GLY A 76 -0.348 -11.294 7.930 1.00 0.00 O ATOM 0 H GLY A 76 -1.598 -10.469 10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.176 -11.561 8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.312 -10.138 7.946 1.00 0.00 H new ATOM 1201 N SER A 77 -1.948 -11.786 6.429 1.00 0.00 N ATOM 1202 CA SER A 77 -1.008 -12.354 5.469 1.00 0.00 C ATOM 1203 C SER A 77 -0.155 -11.270 4.820 1.00 0.00 C ATOM 1204 O SER A 77 -0.528 -10.098 4.793 1.00 0.00 O ATOM 1205 CB SER A 77 -1.762 -13.120 4.386 1.00 0.00 C ATOM 1206 OG SER A 77 -0.929 -13.264 3.244 1.00 0.00 O ATOM 0 H SER A 77 -2.923 -11.799 6.128 1.00 0.00 H new ATOM 0 HA SER A 77 -0.350 -13.034 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.060 -14.100 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.676 -12.589 4.119 1.00 0.00 H new ATOM 0 HG SER A 77 -1.411 -13.757 2.548 1.00 0.00 H new ATOM 1212 N ARG A 78 0.992 -11.683 4.292 1.00 0.00 N ATOM 1213 CA ARG A 78 1.903 -10.756 3.629 1.00 0.00 C ATOM 1214 C ARG A 78 1.639 -10.746 2.127 1.00 0.00 C ATOM 1215 O ARG A 78 1.394 -11.791 1.526 1.00 0.00 O ATOM 1216 CB ARG A 78 3.356 -11.170 3.878 1.00 0.00 C ATOM 1217 CG ARG A 78 4.291 -10.046 3.425 1.00 0.00 C ATOM 1218 CD ARG A 78 5.742 -10.520 3.509 1.00 0.00 C ATOM 1219 NE ARG A 78 6.018 -11.062 4.835 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.036 -12.374 5.046 1.00 0.00 C ATOM 1221 NH1 ARG A 78 6.993 -13.102 4.538 1.00 0.00 N ATOM 1222 NH2 ARG A 78 5.098 -12.934 5.760 1.00 0.00 N ATOM 0 H ARG A 78 1.313 -12.651 4.310 1.00 0.00 H new ATOM 0 HA ARG A 78 1.735 -9.759 4.037 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.509 -11.381 4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.582 -12.087 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.053 -9.751 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.149 -9.166 4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.928 -11.281 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.416 -9.690 3.300 1.00 0.00 H new ATOM 0 HE ARG A 78 6.200 -10.425 5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.726 -12.664 3.980 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.008 -14.109 4.699 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.350 -12.365 6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.113 -13.941 5.921 1.00 0.00 H new ATOM 1236 N GLN A 79 1.700 -9.567 1.523 1.00 0.00 N ATOM 1237 CA GLN A 79 1.474 -9.449 0.090 1.00 0.00 C ATOM 1238 C GLN A 79 2.430 -8.425 -0.505 1.00 0.00 C ATOM 1239 O GLN A 79 2.836 -7.479 0.169 1.00 0.00 O ATOM 1240 CB GLN A 79 0.029 -9.031 -0.181 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.917 -10.102 0.367 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.363 -9.710 0.090 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.738 -8.552 0.266 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -3.202 -10.612 -0.342 1.00 0.00 N ATOM 0 H GLN A 79 1.902 -8.687 1.998 1.00 0.00 H new ATOM 0 HA GLN A 79 1.655 -10.418 -0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.178 -8.070 0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.130 -8.902 -1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.697 -11.064 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.763 -10.221 1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.889 -11.572 -0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.171 -10.357 -0.534 1.00 0.00 H new ATOM 1253 N VAL A 80 2.798 -8.622 -1.765 1.00 0.00 N ATOM 1254 CA VAL A 80 3.721 -7.705 -2.420 1.00 0.00 C ATOM 1255 C VAL A 80 3.091 -7.082 -3.660 1.00 0.00 C ATOM 1256 O VAL A 80 2.659 -7.785 -4.574 1.00 0.00 O ATOM 1257 CB VAL A 80 4.995 -8.454 -2.815 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.000 -7.476 -3.424 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.605 -9.104 -1.571 1.00 0.00 C ATOM 0 H VAL A 80 2.477 -9.396 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 80 3.962 -6.905 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 80 4.752 -9.222 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.906 -8.013 -3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.565 -7.011 -4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.246 -6.705 -2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.513 -9.639 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.847 -8.333 -0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.890 -9.804 -1.138 1.00 0.00 H new ATOM 1269 N LEU A 81 3.061 -5.755 -3.689 1.00 0.00 N ATOM 1270 CA LEU A 81 2.507 -5.034 -4.826 1.00 0.00 C ATOM 1271 C LEU A 81 3.600 -4.182 -5.458 1.00 0.00 C ATOM 1272 O LEU A 81 4.243 -3.390 -4.774 1.00 0.00 O ATOM 1273 CB LEU A 81 1.362 -4.134 -4.365 1.00 0.00 C ATOM 1274 CG LEU A 81 0.511 -4.866 -3.326 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.609 -3.944 -2.852 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.106 -6.118 -3.949 1.00 0.00 C ATOM 0 H LEU A 81 3.413 -5.159 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 81 2.126 -5.748 -5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.760 -3.214 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.746 -3.849 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 81 1.141 -5.152 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.218 -4.462 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.178 -3.048 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.232 -3.662 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.711 -6.635 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.735 -5.833 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.687 -6.781 -4.296 1.00 0.00 H new ATOM 1288 N SER A 82 3.819 -4.346 -6.755 1.00 0.00 N ATOM 1289 CA SER A 82 4.856 -3.572 -7.423 1.00 0.00 C ATOM 1290 C SER A 82 4.601 -3.462 -8.913 1.00 0.00 C ATOM 1291 O SER A 82 3.700 -4.101 -9.459 1.00 0.00 O ATOM 1292 CB SER A 82 6.221 -4.217 -7.204 1.00 0.00 C ATOM 1293 OG SER A 82 7.204 -3.487 -7.925 1.00 0.00 O ATOM 0 H SER A 82 3.306 -4.992 -7.354 1.00 0.00 H new ATOM 0 HA SER A 82 4.840 -2.571 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.465 -4.228 -6.142 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.204 -5.255 -7.538 1.00 0.00 H new ATOM 0 HG SER A 82 7.236 -2.565 -7.593 1.00 0.00 H new ATOM 1299 N GLY A 83 5.416 -2.645 -9.562 1.00 0.00 N ATOM 1300 CA GLY A 83 5.299 -2.446 -11.000 1.00 0.00 C ATOM 1301 C GLY A 83 4.279 -1.362 -11.321 1.00 0.00 C ATOM 1302 O GLY A 83 3.321 -1.594 -12.059 1.00 0.00 O ATOM 0 H GLY A 83 6.163 -2.110 -9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.270 -2.170 -11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.004 -3.381 -11.477 1.00 0.00 H new ATOM 1306 N ILE A 84 4.497 -0.182 -10.758 1.00 0.00 N ATOM 1307 CA ILE A 84 3.606 0.952 -10.974 1.00 0.00 C ATOM 1308 C ILE A 84 2.135 0.537 -10.902 1.00 0.00 C ATOM 1309 O ILE A 84 1.244 1.351 -11.137 1.00 0.00 O ATOM 1310 CB ILE A 84 3.911 1.599 -12.331 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.397 0.718 -13.476 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.424 1.757 -12.472 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.485 1.492 -14.792 1.00 0.00 C ATOM 0 H ILE A 84 5.287 0.017 -10.145 1.00 0.00 H new ATOM 0 HA ILE A 84 3.781 1.676 -10.178 1.00 0.00 H new ATOM 0 HB ILE A 84 3.415 2.569 -12.381 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.987 -0.196 -13.539 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.366 0.420 -13.285 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.654 2.216 -13.433 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.800 2.390 -11.668 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.899 0.778 -12.415 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.120 0.867 -15.607 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.876 2.394 -14.725 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.522 1.768 -14.983 1.00 0.00 H new ATOM 1325 N ASP A 85 1.885 -0.723 -10.559 1.00 0.00 N ATOM 1326 CA ASP A 85 0.514 -1.210 -10.445 1.00 0.00 C ATOM 1327 C ASP A 85 0.094 -1.220 -8.980 1.00 0.00 C ATOM 1328 O ASP A 85 -0.965 -1.735 -8.624 1.00 0.00 O ATOM 1329 CB ASP A 85 0.405 -2.622 -11.026 1.00 0.00 C ATOM 1330 CG ASP A 85 1.211 -3.603 -10.179 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.536 -3.257 -9.056 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.493 -4.684 -10.669 1.00 0.00 O ATOM 0 H ASP A 85 2.604 -1.418 -10.357 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.146 -0.547 -11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.640 -2.931 -11.058 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.771 -2.630 -12.053 1.00 0.00 H new ATOM 1337 N LEU A 86 0.949 -0.648 -8.140 1.00 0.00 N ATOM 1338 CA LEU A 86 0.696 -0.587 -6.708 1.00 0.00 C ATOM 1339 C LEU A 86 -0.717 -0.094 -6.412 1.00 0.00 C ATOM 1340 O LEU A 86 -1.439 -0.698 -5.618 1.00 0.00 O ATOM 1341 CB LEU A 86 1.699 0.364 -6.053 1.00 0.00 C ATOM 1342 CG LEU A 86 3.120 0.013 -6.503 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.515 0.861 -7.718 1.00 0.00 C ATOM 1344 CD2 LEU A 86 4.094 0.295 -5.359 1.00 0.00 C ATOM 0 H LEU A 86 1.828 -0.218 -8.429 1.00 0.00 H new ATOM 0 HA LEU A 86 0.804 -1.594 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.467 1.394 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.624 0.294 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 86 3.156 -1.042 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.527 0.602 -8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.823 0.667 -8.538 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.476 1.917 -7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.107 0.047 -5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.046 1.351 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.824 -0.311 -4.494 1.00 0.00 H new ATOM 1356 N THR A 87 -1.101 1.016 -7.037 1.00 0.00 N ATOM 1357 CA THR A 87 -2.424 1.584 -6.804 1.00 0.00 C ATOM 1358 C THR A 87 -3.525 0.677 -7.337 1.00 0.00 C ATOM 1359 O THR A 87 -4.578 0.543 -6.715 1.00 0.00 O ATOM 1360 CB THR A 87 -2.536 2.962 -7.466 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.334 2.830 -8.866 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.482 3.906 -6.882 1.00 0.00 C ATOM 0 H THR A 87 -0.523 1.533 -7.700 1.00 0.00 H new ATOM 0 HA THR A 87 -2.551 1.683 -5.726 1.00 0.00 H new ATOM 0 HB THR A 87 -3.527 3.374 -7.277 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.407 3.710 -9.291 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.566 4.884 -7.356 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.640 4.009 -5.808 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.488 3.499 -7.065 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.285 0.051 -8.481 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.281 -0.836 -9.055 1.00 0.00 C ATOM 1372 C ASP A 88 -4.401 -2.088 -8.200 1.00 0.00 C ATOM 1373 O ASP A 88 -5.501 -2.512 -7.844 1.00 0.00 O ATOM 1374 CB ASP A 88 -3.875 -1.216 -10.477 1.00 0.00 C ATOM 1375 CG ASP A 88 -3.918 0.015 -11.376 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.495 1.007 -10.960 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.374 -0.051 -12.465 1.00 0.00 O ATOM 0 H ASP A 88 -2.424 0.140 -9.020 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.244 -0.327 -9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.872 -1.642 -10.476 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.546 -1.983 -10.863 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.256 -2.660 -7.854 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.230 -3.848 -7.017 1.00 0.00 C ATOM 1384 C GLN A 89 -3.650 -3.486 -5.595 1.00 0.00 C ATOM 1385 O GLN A 89 -4.500 -4.146 -5.002 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.821 -4.441 -7.017 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.905 -5.968 -7.016 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.501 -6.562 -7.070 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.326 -7.763 -6.872 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.516 -5.786 -7.341 1.00 0.00 N ATOM 0 H GLN A 89 -2.337 -2.321 -8.139 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.927 -4.587 -7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.272 -4.098 -7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.271 -4.097 -6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.421 -6.312 -6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.488 -6.310 -7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.368 -4.790 -7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.457 -6.177 -7.389 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.055 -2.421 -5.057 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.385 -1.981 -3.705 1.00 0.00 C ATOM 1401 C LEU A 90 -4.885 -1.741 -3.560 1.00 0.00 C ATOM 1402 O LEU A 90 -5.510 -2.225 -2.616 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.630 -0.692 -3.382 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.015 -0.213 -1.983 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.522 -1.220 -0.943 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.371 1.150 -1.721 1.00 0.00 C ATOM 0 H LEU A 90 -2.351 -1.855 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.090 -2.766 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.555 -0.864 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.867 0.075 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.099 -0.125 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.797 -0.877 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.979 -2.191 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.438 -1.310 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.643 1.495 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.287 1.060 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.723 1.867 -2.462 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.458 -0.995 -4.500 1.00 0.00 N ATOM 1419 CA ALA A 91 -6.887 -0.704 -4.462 1.00 0.00 C ATOM 1420 C ALA A 91 -7.691 -1.997 -4.481 1.00 0.00 C ATOM 1421 O ALA A 91 -8.729 -2.106 -3.830 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.277 0.163 -5.659 1.00 0.00 C ATOM 0 H ALA A 91 -4.960 -0.585 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.107 -0.164 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.346 0.375 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.720 1.099 -5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.044 -0.366 -6.583 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.201 -2.974 -5.235 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.865 -4.263 -5.341 1.00 0.00 C ATOM 1430 C ASN A 92 -7.531 -5.142 -4.143 1.00 0.00 C ATOM 1431 O ASN A 92 -8.368 -5.904 -3.659 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.409 -4.962 -6.616 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.950 -4.231 -7.841 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -7.733 -4.666 -8.970 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -8.644 -3.138 -7.681 1.00 0.00 N ATOM 0 H ASN A 92 -6.344 -2.895 -5.782 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.942 -4.098 -5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.320 -4.992 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.757 -5.995 -6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.008 -2.642 -8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.822 -2.780 -6.743 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.291 -5.038 -3.688 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.820 -5.828 -2.563 1.00 0.00 C ATOM 1444 C GLN A 93 -6.350 -5.279 -1.245 1.00 0.00 C ATOM 1445 O GLN A 93 -6.597 -6.034 -0.305 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.292 -5.823 -2.547 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.769 -6.601 -3.754 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.010 -8.091 -3.555 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.577 -8.662 -2.555 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.683 -8.756 -4.452 1.00 0.00 N ATOM 0 H GLN A 93 -5.591 -4.411 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.188 -6.848 -2.677 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.920 -4.799 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.926 -6.273 -1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.269 -6.261 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.704 -6.411 -3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.040 -8.278 -5.279 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.852 -9.754 -4.326 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.521 -3.967 -1.179 1.00 0.00 N ATOM 1460 CA LEU A 94 -7.018 -3.340 0.035 1.00 0.00 C ATOM 1461 C LEU A 94 -8.316 -4.012 0.493 1.00 0.00 C ATOM 1462 O LEU A 94 -8.372 -4.572 1.588 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.226 -1.844 -0.207 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.184 -1.272 0.839 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.633 -1.547 2.240 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.321 0.239 0.631 1.00 0.00 C ATOM 0 H LEU A 94 -6.325 -3.322 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.283 -3.464 0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.270 -1.323 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.628 -1.682 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.161 -1.744 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.315 -1.139 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.534 -2.622 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.656 -1.075 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.004 0.648 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.344 0.711 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.713 0.435 -0.367 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.347 -3.992 -0.319 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.644 -4.639 0.020 1.00 0.00 C ATOM 1480 C PRO A 95 -10.445 -6.074 0.501 1.00 0.00 C ATOM 1481 O PRO A 95 -11.076 -6.516 1.461 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.434 -4.646 -1.298 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.554 -4.031 -2.343 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.398 -3.340 -1.630 1.00 0.00 C ATOM 0 HA PRO A 95 -11.153 -4.107 0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.709 -5.663 -1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.361 -4.082 -1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.180 -4.794 -3.025 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.116 -3.315 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.462 -3.465 -2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.571 -2.268 -1.536 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.563 -6.795 -0.184 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.281 -8.182 0.163 1.00 0.00 C ATOM 1494 C GLN A 96 -8.763 -8.283 1.590 1.00 0.00 C ATOM 1495 O GLN A 96 -9.046 -9.249 2.297 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.243 -8.757 -0.802 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.816 -8.754 -2.219 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.782 -9.283 -3.205 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.599 -9.377 -2.877 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.158 -9.633 -4.405 1.00 0.00 N ATOM 0 H GLN A 96 -9.033 -6.442 -0.981 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.206 -8.753 0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.328 -8.165 -0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.978 -9.772 -0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.714 -9.370 -2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.111 -7.742 -2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.138 -9.555 -4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.471 -9.985 -5.072 1.00 0.00 H new ATOM 1509 N TRP A 97 -8.004 -7.278 2.008 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.456 -7.269 3.357 1.00 0.00 C ATOM 1511 C TRP A 97 -8.583 -7.154 4.377 1.00 0.00 C ATOM 1512 O TRP A 97 -8.668 -7.947 5.315 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.495 -6.088 3.521 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.440 -6.153 2.464 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.245 -7.196 1.623 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.438 -5.153 2.116 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.184 -6.900 0.784 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.655 -5.653 1.049 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.136 -3.875 2.619 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.610 -4.911 0.501 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -3.084 -3.125 2.069 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.322 -3.642 1.011 1.00 0.00 C ATOM 0 H TRP A 97 -7.756 -6.468 1.440 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.915 -8.200 3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -7.041 -5.148 3.447 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -6.036 -6.113 4.510 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.822 -8.109 1.609 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.836 -7.527 0.059 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.717 -3.468 3.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.026 -5.314 -0.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.860 -2.145 2.463 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.514 -3.061 0.591 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.453 -6.170 4.178 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.579 -5.968 5.074 1.00 0.00 C ATOM 1535 C LEU A 98 -11.626 -7.054 4.854 1.00 0.00 C ATOM 1536 O LEU A 98 -12.209 -7.575 5.805 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.196 -4.596 4.813 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.120 -3.519 4.969 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.750 -2.135 4.793 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.498 -3.624 6.363 1.00 0.00 C ATOM 0 H LEU A 98 -9.398 -5.504 3.407 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.229 -6.020 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.620 -4.560 3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.013 -4.413 5.511 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.348 -3.663 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.983 -1.369 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.195 -2.061 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.522 -1.988 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.731 -2.858 6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.271 -3.480 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.049 -4.609 6.488 1.00 0.00 H new