USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=11 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= -6.87! K(o=-7.6!,f=-0.48) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.78 K(o=-7.6,f=-1.3) USER MOD Single : A 11 GLN : amide:sc= -1.35! K(o=-1.3!,f=-0.35) USER MOD Single : A 16 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.9!) USER MOD Single : A 21 THR OG1 : rot 17:sc= 0.0487 USER MOD Single : A 25 SER OG : rot 80:sc= -4.64! USER MOD Single : A 26 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.3) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 30 GLN : amide:sc= -0.94 K(o=-0.94,f=-3.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -8.22! C(o=-8.2!,f=-6.4!) 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= -0.432 K(o=-0.43,f=-3.2!) USER MOD Single : A 55 GLN : amide:sc= -8.34! K(o=-8.3!,f=-1.9) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.4!) 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 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0.987 (180deg=0.638) USER MOD Single : A 77 SER OG : rot 180:sc= -0.491 USER MOD Single : A 82 SER OG : rot 66:sc= -4.41! USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00499 USER MOD Single : A 89 GLN : amide:sc= -4.4! K(o=-4.4!,f=-2.2) USER MOD Single : A 92 ASN : amide:sc= -1.55! K(o=-1.6!,f=-0.041) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -3.965 -4.859 16.013 1.00 0.00 N ATOM 133 CA GLN A 11 -2.938 -3.843 15.823 1.00 0.00 C ATOM 134 C GLN A 11 -3.066 -3.196 14.449 1.00 0.00 C ATOM 135 O GLN A 11 -3.492 -3.838 13.489 1.00 0.00 O ATOM 136 CB GLN A 11 -1.554 -4.480 15.962 1.00 0.00 C ATOM 137 CG GLN A 11 -1.546 -5.427 17.166 1.00 0.00 C ATOM 138 CD GLN A 11 -1.175 -6.836 16.719 1.00 0.00 C ATOM 139 OE1 GLN A 11 -1.596 -7.814 17.336 1.00 0.00 O ATOM 140 NE2 GLN A 11 -0.408 -7.000 15.676 1.00 0.00 N ATOM 0 HA GLN A 11 -3.067 -3.073 16.583 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.301 -5.027 15.054 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.797 -3.706 16.089 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.834 -5.074 17.912 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.527 -5.434 17.640 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.060 -6.188 15.166 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.156 -7.940 15.371 1.00 0.00 H new ATOM 149 N PRO A 12 -2.699 -1.947 14.335 1.00 0.00 N ATOM 150 CA PRO A 12 -2.769 -1.212 13.047 1.00 0.00 C ATOM 151 C PRO A 12 -2.158 -2.024 11.907 1.00 0.00 C ATOM 152 O PRO A 12 -1.377 -2.947 12.140 1.00 0.00 O ATOM 153 CB PRO A 12 -1.970 0.078 13.285 1.00 0.00 C ATOM 154 CG PRO A 12 -1.461 0.030 14.696 1.00 0.00 C ATOM 155 CD PRO A 12 -2.191 -1.100 15.419 1.00 0.00 C ATOM 0 HA PRO A 12 -3.800 -1.013 12.753 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.142 0.154 12.580 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.600 0.954 13.133 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.385 -0.142 14.708 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.638 0.981 15.198 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.519 -1.653 16.076 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.001 -0.718 16.040 1.00 0.00 H new ATOM 163 N LEU A 13 -2.525 -1.681 10.678 1.00 0.00 N ATOM 164 CA LEU A 13 -2.016 -2.389 9.512 1.00 0.00 C ATOM 165 C LEU A 13 -0.609 -1.911 9.181 1.00 0.00 C ATOM 166 O LEU A 13 -0.360 -0.708 9.101 1.00 0.00 O ATOM 167 CB LEU A 13 -2.936 -2.128 8.318 1.00 0.00 C ATOM 168 CG LEU A 13 -2.659 -3.139 7.207 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.723 -2.984 6.123 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.281 -2.876 6.601 1.00 0.00 C ATOM 0 H LEU A 13 -3.170 -0.920 10.464 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.987 -3.457 9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.978 -2.197 8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.781 -1.116 7.945 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.684 -4.149 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.535 -3.701 5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.708 -3.168 6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.686 -1.972 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.088 -3.600 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.252 -1.868 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.519 -2.972 7.374 1.00 0.00 H new ATOM 182 N LEU A 14 0.310 -2.851 8.977 1.00 0.00 N ATOM 183 CA LEU A 14 1.671 -2.491 8.646 1.00 0.00 C ATOM 184 C LEU A 14 1.856 -2.526 7.138 1.00 0.00 C ATOM 185 O LEU A 14 1.760 -3.579 6.506 1.00 0.00 O ATOM 186 CB LEU A 14 2.629 -3.458 9.331 1.00 0.00 C ATOM 187 CG LEU A 14 2.358 -3.449 10.837 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.487 -4.178 11.568 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.271 -2.003 11.335 1.00 0.00 C ATOM 0 H LEU A 14 0.133 -3.854 9.036 1.00 0.00 H new ATOM 0 HA LEU A 14 1.883 -1.481 8.996 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.498 -4.464 8.931 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.661 -3.168 9.133 1.00 0.00 H new ATOM 0 HG LEU A 14 1.414 -3.957 11.036 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.291 -4.170 12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.542 -5.208 11.217 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.434 -3.676 11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.078 -1.999 12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.212 -1.492 11.134 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.461 -1.488 10.818 1.00 0.00 H new ATOM 201 N LEU A 15 2.092 -1.354 6.569 1.00 0.00 N ATOM 202 CA LEU A 15 2.253 -1.224 5.132 1.00 0.00 C ATOM 203 C LEU A 15 3.524 -0.439 4.812 1.00 0.00 C ATOM 204 O LEU A 15 3.775 0.612 5.401 1.00 0.00 O ATOM 205 CB LEU A 15 1.009 -0.506 4.584 1.00 0.00 C ATOM 206 CG LEU A 15 0.934 -0.608 3.063 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.079 0.193 2.448 1.00 0.00 C ATOM 208 CD2 LEU A 15 1.019 -2.080 2.638 1.00 0.00 C ATOM 0 H LEU A 15 2.176 -0.477 7.084 1.00 0.00 H new ATOM 0 HA LEU A 15 2.350 -2.204 4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.112 -0.941 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.032 0.543 4.879 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.014 -0.200 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.029 0.123 1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.995 1.237 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.031 -0.209 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.965 -2.149 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.962 -2.504 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.190 -2.634 3.078 1.00 0.00 H new ATOM 220 N GLN A 16 4.333 -0.955 3.887 1.00 0.00 N ATOM 221 CA GLN A 16 5.578 -0.281 3.526 1.00 0.00 C ATOM 222 C GLN A 16 5.684 -0.048 2.026 1.00 0.00 C ATOM 223 O GLN A 16 5.142 -0.805 1.222 1.00 0.00 O ATOM 224 CB GLN A 16 6.778 -1.101 3.999 1.00 0.00 C ATOM 225 CG GLN A 16 7.006 -0.848 5.487 1.00 0.00 C ATOM 226 CD GLN A 16 8.064 -1.807 6.024 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.454 -2.751 5.337 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.549 -1.622 7.221 1.00 0.00 N ATOM 0 H GLN A 16 4.153 -1.823 3.382 1.00 0.00 H new ATOM 0 HA GLN A 16 5.575 0.691 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.601 -2.162 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.667 -0.827 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.324 0.183 5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.072 -0.980 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.224 -0.839 7.788 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.254 -2.261 7.590 1.00 0.00 H new ATOM 237 N LEU A 17 6.403 1.012 1.666 1.00 0.00 N ATOM 238 CA LEU A 17 6.602 1.358 0.268 1.00 0.00 C ATOM 239 C LEU A 17 8.088 1.550 -0.018 1.00 0.00 C ATOM 240 O LEU A 17 8.754 2.348 0.640 1.00 0.00 O ATOM 241 CB LEU A 17 5.840 2.646 -0.062 1.00 0.00 C ATOM 242 CG LEU A 17 5.978 2.963 -1.553 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.166 1.959 -2.372 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.447 4.373 -1.821 1.00 0.00 C ATOM 0 H LEU A 17 6.856 1.644 2.326 1.00 0.00 H new ATOM 0 HA LEU A 17 6.223 0.547 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.788 2.534 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.230 3.472 0.532 1.00 0.00 H new ATOM 0 HG LEU A 17 7.028 2.900 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.267 2.188 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.535 0.951 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.116 2.021 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.544 4.603 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.397 4.428 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.021 5.095 -1.240 1.00 0.00 H new ATOM 256 N PHE A 18 8.607 0.817 -0.999 1.00 0.00 N ATOM 257 CA PHE A 18 10.020 0.931 -1.341 1.00 0.00 C ATOM 258 C PHE A 18 10.204 1.872 -2.519 1.00 0.00 C ATOM 259 O PHE A 18 9.648 1.660 -3.597 1.00 0.00 O ATOM 260 CB PHE A 18 10.589 -0.449 -1.671 1.00 0.00 C ATOM 261 CG PHE A 18 10.698 -1.242 -0.393 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.544 -1.542 0.338 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.951 -1.665 0.069 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.638 -2.260 1.531 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.049 -2.391 1.263 1.00 0.00 C ATOM 266 CZ PHE A 18 10.886 -2.686 1.996 1.00 0.00 C ATOM 0 H PHE A 18 8.081 0.149 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 18 10.558 1.339 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.943 -0.964 -2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.568 -0.352 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.579 -1.218 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.842 -1.431 -0.495 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.746 -2.487 2.096 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.013 -2.723 1.619 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.957 -3.242 2.919 1.00 0.00 H new ATOM 276 N VAL A 19 10.972 2.929 -2.293 1.00 0.00 N ATOM 277 CA VAL A 19 11.209 3.926 -3.331 1.00 0.00 C ATOM 278 C VAL A 19 12.694 4.291 -3.416 1.00 0.00 C ATOM 279 O VAL A 19 13.483 3.913 -2.549 1.00 0.00 O ATOM 280 CB VAL A 19 10.374 5.166 -3.016 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.936 4.743 -2.717 1.00 0.00 C ATOM 282 CG2 VAL A 19 10.952 5.881 -1.791 1.00 0.00 C ATOM 0 H VAL A 19 11.439 3.119 -1.407 1.00 0.00 H new ATOM 0 HA VAL A 19 10.917 3.515 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 19 10.392 5.840 -3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.337 5.625 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.519 4.233 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.926 4.069 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.354 6.765 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.935 5.207 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.980 6.181 -1.996 1.00 0.00 H new ATOM 292 N ASP A 20 13.070 5.026 -4.466 1.00 0.00 N ATOM 293 CA ASP A 20 14.464 5.430 -4.645 1.00 0.00 C ATOM 294 C ASP A 20 14.574 6.875 -5.153 1.00 0.00 C ATOM 295 O ASP A 20 14.973 7.118 -6.292 1.00 0.00 O ATOM 296 CB ASP A 20 15.160 4.483 -5.628 1.00 0.00 C ATOM 297 CG ASP A 20 14.221 4.139 -6.779 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.029 4.043 -6.536 1.00 0.00 O ATOM 299 OD2 ASP A 20 14.707 3.970 -7.885 1.00 0.00 O ATOM 0 H ASP A 20 12.436 5.350 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 20 14.953 5.377 -3.672 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.066 4.950 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.465 3.572 -5.113 1.00 0.00 H new ATOM 304 N THR A 21 14.236 7.825 -4.281 1.00 0.00 N ATOM 305 CA THR A 21 14.309 9.256 -4.604 1.00 0.00 C ATOM 306 C THR A 21 13.522 9.624 -5.868 1.00 0.00 C ATOM 307 O THR A 21 13.443 10.798 -6.226 1.00 0.00 O ATOM 308 CB THR A 21 15.770 9.674 -4.782 1.00 0.00 C ATOM 309 OG1 THR A 21 16.332 8.972 -5.881 1.00 0.00 O ATOM 310 CG2 THR A 21 16.553 9.353 -3.509 1.00 0.00 C ATOM 0 H THR A 21 13.906 7.630 -3.336 1.00 0.00 H new ATOM 0 HA THR A 21 13.855 9.790 -3.769 1.00 0.00 H new ATOM 0 HB THR A 21 15.821 10.746 -4.974 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.613 8.599 -6.433 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.594 9.651 -3.637 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.120 9.897 -2.669 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.504 8.282 -3.312 1.00 0.00 H new ATOM 318 N ARG A 22 12.948 8.634 -6.540 1.00 0.00 N ATOM 319 CA ARG A 22 12.185 8.908 -7.760 1.00 0.00 C ATOM 320 C ARG A 22 10.814 9.537 -7.432 1.00 0.00 C ATOM 321 O ARG A 22 10.046 9.001 -6.639 1.00 0.00 O ATOM 322 CB ARG A 22 12.017 7.624 -8.589 1.00 0.00 C ATOM 323 CG ARG A 22 10.880 6.759 -8.042 1.00 0.00 C ATOM 324 CD ARG A 22 11.221 6.274 -6.631 1.00 0.00 C ATOM 325 NE ARG A 22 10.613 7.149 -5.632 1.00 0.00 N ATOM 326 CZ ARG A 22 11.347 7.861 -4.777 1.00 0.00 C ATOM 327 NH1 ARG A 22 12.072 7.259 -3.879 1.00 0.00 N ATOM 328 NH2 ARG A 22 11.320 9.165 -4.819 1.00 0.00 N ATOM 0 H ARG A 22 12.992 7.651 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 22 12.745 9.630 -8.355 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.814 7.883 -9.628 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.947 7.056 -8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.953 7.332 -8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.714 5.905 -8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.865 5.253 -6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.303 6.255 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 22 9.596 7.217 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.079 6.240 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.633 7.806 -3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.737 9.641 -5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.882 9.708 -4.164 1.00 0.00 H new ATOM 342 N PRO A 23 10.499 10.671 -8.014 1.00 0.00 N ATOM 343 CA PRO A 23 9.207 11.372 -7.753 1.00 0.00 C ATOM 344 C PRO A 23 7.998 10.506 -8.088 1.00 0.00 C ATOM 345 O PRO A 23 6.926 10.670 -7.506 1.00 0.00 O ATOM 346 CB PRO A 23 9.223 12.605 -8.659 1.00 0.00 C ATOM 347 CG PRO A 23 10.499 12.583 -9.438 1.00 0.00 C ATOM 348 CD PRO A 23 11.338 11.391 -8.971 1.00 0.00 C ATOM 0 HA PRO A 23 9.118 11.620 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.365 12.596 -9.331 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.154 13.516 -8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.289 12.503 -10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.048 13.513 -9.290 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.612 10.752 -9.810 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.266 11.723 -8.506 1.00 0.00 H new ATOM 356 N LEU A 24 8.169 9.594 -9.037 1.00 0.00 N ATOM 357 CA LEU A 24 7.072 8.727 -9.444 1.00 0.00 C ATOM 358 C LEU A 24 6.484 8.016 -8.230 1.00 0.00 C ATOM 359 O LEU A 24 5.266 7.948 -8.073 1.00 0.00 O ATOM 360 CB LEU A 24 7.578 7.692 -10.447 1.00 0.00 C ATOM 361 CG LEU A 24 6.411 6.826 -10.917 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.515 7.636 -11.856 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.954 5.604 -11.656 1.00 0.00 C ATOM 0 H LEU A 24 9.046 9.437 -9.534 1.00 0.00 H new ATOM 0 HA LEU A 24 6.296 9.336 -9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.041 8.191 -11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.345 7.069 -9.987 1.00 0.00 H new ATOM 0 HG LEU A 24 5.828 6.502 -10.055 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.683 7.016 -12.190 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.129 8.508 -11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.094 7.962 -12.720 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.123 4.984 -11.993 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.537 5.929 -12.518 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.590 5.026 -10.985 1.00 0.00 H new ATOM 375 N SER A 25 7.350 7.503 -7.363 1.00 0.00 N ATOM 376 CA SER A 25 6.880 6.825 -6.160 1.00 0.00 C ATOM 377 C SER A 25 6.224 7.840 -5.238 1.00 0.00 C ATOM 378 O SER A 25 5.174 7.576 -4.651 1.00 0.00 O ATOM 379 CB SER A 25 8.034 6.148 -5.430 1.00 0.00 C ATOM 380 OG SER A 25 8.638 7.083 -4.546 1.00 0.00 O ATOM 0 H SER A 25 8.364 7.542 -7.467 1.00 0.00 H new ATOM 0 HA SER A 25 6.160 6.060 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.671 5.284 -4.873 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.768 5.780 -6.147 1.00 0.00 H new ATOM 0 HG SER A 25 8.102 7.154 -3.729 1.00 0.00 H new ATOM 386 N GLN A 26 6.831 9.022 -5.149 1.00 0.00 N ATOM 387 CA GLN A 26 6.273 10.086 -4.333 1.00 0.00 C ATOM 388 C GLN A 26 4.907 10.421 -4.900 1.00 0.00 C ATOM 389 O GLN A 26 3.966 10.754 -4.179 1.00 0.00 O ATOM 390 CB GLN A 26 7.182 11.318 -4.377 1.00 0.00 C ATOM 391 CG GLN A 26 8.531 10.986 -3.734 1.00 0.00 C ATOM 392 CD GLN A 26 8.340 10.638 -2.261 1.00 0.00 C ATOM 393 OE1 GLN A 26 7.471 11.203 -1.597 1.00 0.00 O ATOM 394 NE2 GLN A 26 9.111 9.742 -1.708 1.00 0.00 N ATOM 0 H GLN A 26 7.699 9.261 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 26 6.190 9.770 -3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.329 11.637 -5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.711 12.148 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.995 10.149 -4.256 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.207 11.836 -3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.830 9.276 -2.262 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.995 9.508 -0.722 1.00 0.00 H new ATOM 403 N HIS A 27 4.821 10.287 -6.216 1.00 0.00 N ATOM 404 CA HIS A 27 3.588 10.522 -6.942 1.00 0.00 C ATOM 405 C HIS A 27 2.559 9.485 -6.507 1.00 0.00 C ATOM 406 O HIS A 27 1.451 9.805 -6.061 1.00 0.00 O ATOM 407 CB HIS A 27 3.883 10.342 -8.430 1.00 0.00 C ATOM 408 CG HIS A 27 3.035 11.249 -9.261 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.712 11.531 -8.959 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.318 11.936 -10.408 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.252 12.361 -9.914 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.193 12.640 -10.823 1.00 0.00 N ATOM 0 H HIS A 27 5.606 10.012 -6.807 1.00 0.00 H new ATOM 0 HA HIS A 27 3.204 11.523 -6.746 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.936 10.547 -8.622 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.702 9.306 -8.717 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.271 11.933 -10.915 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.246 12.754 -9.943 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.104 13.240 -11.643 1.00 0.00 H new ATOM 420 N ILE A 28 2.965 8.226 -6.632 1.00 0.00 N ATOM 421 CA ILE A 28 2.124 7.108 -6.250 1.00 0.00 C ATOM 422 C ILE A 28 1.869 7.126 -4.749 1.00 0.00 C ATOM 423 O ILE A 28 0.807 6.710 -4.285 1.00 0.00 O ATOM 424 CB ILE A 28 2.797 5.800 -6.666 1.00 0.00 C ATOM 425 CG1 ILE A 28 2.932 5.772 -8.191 1.00 0.00 C ATOM 426 CG2 ILE A 28 1.947 4.615 -6.206 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.742 4.547 -8.615 1.00 0.00 C ATOM 0 H ILE A 28 3.879 7.958 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 28 1.163 7.190 -6.758 1.00 0.00 H new ATOM 0 HB ILE A 28 3.783 5.732 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.945 5.745 -8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.421 6.682 -8.539 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.429 3.684 -6.504 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.845 4.640 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.960 4.675 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.836 4.531 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.734 4.593 -8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.235 3.642 -8.281 1.00 0.00 H new ATOM 439 N VAL A 29 2.843 7.623 -3.989 1.00 0.00 N ATOM 440 CA VAL A 29 2.689 7.697 -2.544 1.00 0.00 C ATOM 441 C VAL A 29 1.435 8.483 -2.208 1.00 0.00 C ATOM 442 O VAL A 29 0.635 8.067 -1.370 1.00 0.00 O ATOM 443 CB VAL A 29 3.907 8.366 -1.905 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.582 8.748 -0.457 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.080 7.386 -1.916 1.00 0.00 C ATOM 0 H VAL A 29 3.732 7.974 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 29 2.604 6.685 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 29 4.168 9.263 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.451 9.225 -0.003 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.740 9.440 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.324 7.851 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.952 7.857 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.814 6.493 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.312 7.108 -2.944 1.00 0.00 H new ATOM 455 N GLN A 30 1.248 9.610 -2.887 1.00 0.00 N ATOM 456 CA GLN A 30 0.059 10.414 -2.657 1.00 0.00 C ATOM 457 C GLN A 30 -1.162 9.576 -2.977 1.00 0.00 C ATOM 458 O GLN A 30 -2.140 9.567 -2.230 1.00 0.00 O ATOM 459 CB GLN A 30 0.055 11.656 -3.550 1.00 0.00 C ATOM 460 CG GLN A 30 1.265 12.532 -3.237 1.00 0.00 C ATOM 461 CD GLN A 30 1.406 12.721 -1.731 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.899 11.831 -1.037 1.00 0.00 O ATOM 463 NE2 GLN A 30 1.002 13.833 -1.182 1.00 0.00 N ATOM 0 H GLN A 30 1.891 9.980 -3.587 1.00 0.00 H new ATOM 0 HA GLN A 30 0.049 10.736 -1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.073 11.359 -4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.863 12.222 -3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.168 12.073 -3.639 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.156 13.501 -3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.594 14.568 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.094 13.967 -0.175 1.00 0.00 H new ATOM 472 N ARG A 31 -1.091 8.854 -4.092 1.00 0.00 N ATOM 473 CA ARG A 31 -2.197 8.000 -4.494 1.00 0.00 C ATOM 474 C ARG A 31 -2.411 6.909 -3.457 1.00 0.00 C ATOM 475 O ARG A 31 -3.544 6.565 -3.129 1.00 0.00 O ATOM 476 CB ARG A 31 -1.915 7.378 -5.859 1.00 0.00 C ATOM 477 CG ARG A 31 -1.805 8.494 -6.891 1.00 0.00 C ATOM 478 CD ARG A 31 -1.672 7.894 -8.287 1.00 0.00 C ATOM 479 NE ARG A 31 -1.342 8.940 -9.247 1.00 0.00 N ATOM 480 CZ ARG A 31 -1.680 8.834 -10.527 1.00 0.00 C ATOM 481 NH1 ARG A 31 -0.923 8.157 -11.348 1.00 0.00 N ATOM 482 NH2 ARG A 31 -2.764 9.413 -10.964 1.00 0.00 N ATOM 0 H ARG A 31 -0.290 8.844 -4.723 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.101 8.604 -4.566 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.991 6.800 -5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.713 6.688 -6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.685 9.135 -6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.941 9.122 -6.671 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.897 7.127 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.604 7.407 -8.573 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.841 9.770 -8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.072 7.710 -11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.182 8.075 -12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.351 9.947 -10.323 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.025 9.332 -11.947 1.00 0.00 H new ATOM 496 N VAL A 32 -1.315 6.379 -2.928 1.00 0.00 N ATOM 497 CA VAL A 32 -1.408 5.342 -1.912 1.00 0.00 C ATOM 498 C VAL A 32 -2.043 5.914 -0.650 1.00 0.00 C ATOM 499 O VAL A 32 -3.004 5.361 -0.119 1.00 0.00 O ATOM 500 CB VAL A 32 -0.014 4.791 -1.592 1.00 0.00 C ATOM 501 CG1 VAL A 32 -0.109 3.810 -0.422 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.537 4.066 -2.822 1.00 0.00 C ATOM 0 H VAL A 32 -0.364 6.647 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.029 4.529 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 32 0.651 5.612 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.882 3.418 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.505 4.325 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.772 2.987 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.529 3.673 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.128 3.244 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.603 4.764 -3.656 1.00 0.00 H new ATOM 512 N LYS A 33 -1.502 7.035 -0.184 1.00 0.00 N ATOM 513 CA LYS A 33 -2.019 7.692 1.009 1.00 0.00 C ATOM 514 C LYS A 33 -3.458 8.159 0.812 1.00 0.00 C ATOM 515 O LYS A 33 -4.295 8.012 1.703 1.00 0.00 O ATOM 516 CB LYS A 33 -1.144 8.893 1.348 1.00 0.00 C ATOM 517 CG LYS A 33 0.243 8.405 1.768 1.00 0.00 C ATOM 518 CD LYS A 33 1.065 9.588 2.277 1.00 0.00 C ATOM 519 CE LYS A 33 2.506 9.140 2.533 1.00 0.00 C ATOM 520 NZ LYS A 33 2.840 9.335 3.972 1.00 0.00 N ATOM 0 H LYS A 33 -0.706 7.506 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.003 6.969 1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.064 9.554 0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.597 9.472 2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.154 7.648 2.547 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.746 7.935 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.049 10.396 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.627 9.980 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.626 8.092 2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.192 9.712 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.819 9.030 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.741 10.341 4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.193 8.770 4.558 1.00 0.00 H new ATOM 534 N ASN A 34 -3.733 8.737 -0.352 1.00 0.00 N ATOM 535 CA ASN A 34 -5.068 9.238 -0.646 1.00 0.00 C ATOM 536 C ASN A 34 -6.095 8.109 -0.622 1.00 0.00 C ATOM 537 O ASN A 34 -7.185 8.258 -0.069 1.00 0.00 O ATOM 538 CB ASN A 34 -5.067 9.901 -2.024 1.00 0.00 C ATOM 539 CG ASN A 34 -4.080 11.069 -2.050 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.984 11.823 -1.082 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.335 11.263 -3.108 1.00 0.00 N ATOM 0 H ASN A 34 -3.054 8.869 -1.102 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.342 9.965 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.797 9.170 -2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.069 10.257 -2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.674 12.040 -3.131 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.415 10.638 -3.910 1.00 0.00 H new ATOM 548 N ILE A 35 -5.739 6.986 -1.231 1.00 0.00 N ATOM 549 CA ILE A 35 -6.633 5.831 -1.285 1.00 0.00 C ATOM 550 C ILE A 35 -6.859 5.227 0.100 1.00 0.00 C ATOM 551 O ILE A 35 -8.001 5.012 0.507 1.00 0.00 O ATOM 552 CB ILE A 35 -6.045 4.772 -2.210 1.00 0.00 C ATOM 553 CG1 ILE A 35 -6.027 5.306 -3.645 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.899 3.505 -2.145 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.129 4.422 -4.513 1.00 0.00 C ATOM 0 H ILE A 35 -4.841 6.848 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.596 6.171 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.028 4.537 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.039 5.322 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.663 6.333 -3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.478 2.748 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.912 3.127 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.917 3.736 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.119 4.805 -5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.115 4.429 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.513 3.402 -4.512 1.00 0.00 H new ATOM 567 N LEU A 36 -5.775 4.951 0.821 1.00 0.00 N ATOM 568 CA LEU A 36 -5.899 4.371 2.155 1.00 0.00 C ATOM 569 C LEU A 36 -6.718 5.293 3.044 1.00 0.00 C ATOM 570 O LEU A 36 -7.576 4.844 3.805 1.00 0.00 O ATOM 571 CB LEU A 36 -4.517 4.160 2.776 1.00 0.00 C ATOM 572 CG LEU A 36 -3.722 3.164 1.932 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.343 2.952 2.560 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.471 1.831 1.884 1.00 0.00 C ATOM 0 H LEU A 36 -4.817 5.116 0.511 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.400 3.407 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.985 5.109 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.618 3.789 3.796 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.604 3.553 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.775 2.242 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.811 3.902 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.460 2.560 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.907 1.118 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.586 1.442 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.455 1.982 1.439 1.00 0.00 H new ATOM 586 N ALA A 37 -6.461 6.588 2.922 1.00 0.00 N ATOM 587 CA ALA A 37 -7.194 7.576 3.695 1.00 0.00 C ATOM 588 C ALA A 37 -8.636 7.623 3.215 1.00 0.00 C ATOM 589 O ALA A 37 -9.485 8.283 3.815 1.00 0.00 O ATOM 590 CB ALA A 37 -6.553 8.955 3.527 1.00 0.00 C ATOM 0 H ALA A 37 -5.754 6.976 2.298 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.167 7.298 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.110 9.688 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.521 8.921 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.571 9.239 2.475 1.00 0.00 H new ATOM 596 N ALA A 38 -8.899 6.918 2.118 1.00 0.00 N ATOM 597 CA ALA A 38 -10.234 6.882 1.545 1.00 0.00 C ATOM 598 C ALA A 38 -11.090 5.841 2.249 1.00 0.00 C ATOM 599 O ALA A 38 -12.200 5.541 1.812 1.00 0.00 O ATOM 600 CB ALA A 38 -10.154 6.553 0.055 1.00 0.00 C ATOM 0 H ALA A 38 -8.206 6.367 1.612 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.691 7.863 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.159 6.528 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.565 7.316 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.681 5.580 -0.078 1.00 0.00 H new ATOM 606 N VAL A 39 -10.569 5.289 3.337 1.00 0.00 N ATOM 607 CA VAL A 39 -11.308 4.280 4.078 1.00 0.00 C ATOM 608 C VAL A 39 -10.936 4.307 5.556 1.00 0.00 C ATOM 609 O VAL A 39 -11.785 4.097 6.422 1.00 0.00 O ATOM 610 CB VAL A 39 -11.025 2.892 3.497 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.776 2.305 4.159 1.00 0.00 C ATOM 612 CG2 VAL A 39 -12.221 1.974 3.762 1.00 0.00 C ATOM 0 H VAL A 39 -9.652 5.519 3.720 1.00 0.00 H new ATOM 0 HA VAL A 39 -12.371 4.501 3.987 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.861 2.976 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.575 1.317 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.924 2.958 3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.939 2.222 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.020 0.986 3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.385 1.891 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -13.111 2.390 3.290 1.00 0.00 H new ATOM 622 N GLU A 40 -9.666 4.571 5.838 1.00 0.00 N ATOM 623 CA GLU A 40 -9.199 4.625 7.218 1.00 0.00 C ATOM 624 C GLU A 40 -9.925 3.590 8.073 1.00 0.00 C ATOM 625 O GLU A 40 -9.452 2.465 8.236 1.00 0.00 O ATOM 626 CB GLU A 40 -9.439 6.020 7.800 1.00 0.00 C ATOM 627 CG GLU A 40 -8.704 7.064 6.957 1.00 0.00 C ATOM 628 CD GLU A 40 -8.821 8.436 7.612 1.00 0.00 C ATOM 629 OE1 GLU A 40 -9.508 8.534 8.616 1.00 0.00 O ATOM 630 OE2 GLU A 40 -8.217 9.367 7.104 1.00 0.00 O ATOM 0 H GLU A 40 -8.947 4.750 5.137 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.131 4.405 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.507 6.239 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.089 6.059 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.654 6.788 6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.125 7.094 5.952 1.00 0.00 H new ATOM 637 N ALA A 41 -11.076 3.978 8.615 1.00 0.00 N ATOM 638 CA ALA A 41 -11.858 3.075 9.452 1.00 0.00 C ATOM 639 C ALA A 41 -11.308 3.054 10.875 1.00 0.00 C ATOM 640 O ALA A 41 -10.458 3.871 11.232 1.00 0.00 O ATOM 641 CB ALA A 41 -11.831 1.661 8.869 1.00 0.00 C ATOM 0 H ALA A 41 -11.485 4.904 8.491 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.887 3.434 9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.418 0.995 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.254 1.673 7.865 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.802 1.305 8.825 1.00 0.00 H new ATOM 647 N THR A 42 -11.795 2.117 11.683 1.00 0.00 N ATOM 648 CA THR A 42 -11.341 2.003 13.065 1.00 0.00 C ATOM 649 C THR A 42 -9.966 1.345 13.125 1.00 0.00 C ATOM 650 O THR A 42 -9.352 1.265 14.189 1.00 0.00 O ATOM 651 CB THR A 42 -12.335 1.170 13.878 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.290 -0.180 13.436 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.746 1.722 13.687 1.00 0.00 C ATOM 0 H THR A 42 -12.498 1.431 11.408 1.00 0.00 H new ATOM 0 HA THR A 42 -11.275 3.006 13.486 1.00 0.00 H new ATOM 0 HB THR A 42 -12.070 1.218 14.934 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.924 -0.716 13.956 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.451 1.127 14.267 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.781 2.757 14.026 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.015 1.676 12.632 1.00 0.00 H new ATOM 661 N VAL A 43 -9.492 0.868 11.977 1.00 0.00 N ATOM 662 CA VAL A 43 -8.197 0.212 11.908 1.00 0.00 C ATOM 663 C VAL A 43 -7.273 0.948 10.939 1.00 0.00 C ATOM 664 O VAL A 43 -6.975 0.447 9.855 1.00 0.00 O ATOM 665 CB VAL A 43 -8.390 -1.223 11.424 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.838 -2.108 12.589 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.458 -1.243 10.328 1.00 0.00 C ATOM 0 H VAL A 43 -9.986 0.925 11.087 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.744 0.220 12.899 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.448 -1.603 11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.974 -3.131 12.238 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.079 -2.091 13.371 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.780 -1.733 12.989 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.601 -2.265 9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.397 -0.862 10.728 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.137 -0.616 9.496 1.00 0.00 H new ATOM 677 N PRO A 44 -6.815 2.117 11.307 1.00 0.00 N ATOM 678 CA PRO A 44 -5.907 2.921 10.444 1.00 0.00 C ATOM 679 C PRO A 44 -4.691 2.118 9.994 1.00 0.00 C ATOM 680 O PRO A 44 -4.272 1.178 10.670 1.00 0.00 O ATOM 681 CB PRO A 44 -5.474 4.109 11.311 1.00 0.00 C ATOM 682 CG PRO A 44 -6.132 3.956 12.648 1.00 0.00 C ATOM 683 CD PRO A 44 -7.121 2.792 12.573 1.00 0.00 C ATOM 0 HA PRO A 44 -6.412 3.235 9.530 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.389 4.130 11.418 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.767 5.050 10.845 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.384 3.768 13.419 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.649 4.875 12.923 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.001 2.116 13.420 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.151 3.147 12.592 1.00 0.00 H new ATOM 691 N ILE A 45 -4.127 2.493 8.850 1.00 0.00 N ATOM 692 CA ILE A 45 -2.959 1.795 8.325 1.00 0.00 C ATOM 693 C ILE A 45 -1.697 2.621 8.540 1.00 0.00 C ATOM 694 O ILE A 45 -1.710 3.843 8.384 1.00 0.00 O ATOM 695 CB ILE A 45 -3.120 1.532 6.829 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.470 0.856 6.572 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.983 0.616 6.351 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.528 1.926 6.282 1.00 0.00 C ATOM 0 H ILE A 45 -4.456 3.268 8.274 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.872 0.848 8.859 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.081 2.475 6.284 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.391 0.169 5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.764 0.264 7.439 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.094 0.425 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.024 1.100 6.536 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.024 -0.328 6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.490 1.447 6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.613 2.595 7.138 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.235 2.499 5.402 1.00 0.00 H new ATOM 710 N SER A 46 -0.604 1.947 8.876 1.00 0.00 N ATOM 711 CA SER A 46 0.662 2.634 9.081 1.00 0.00 C ATOM 712 C SER A 46 1.515 2.497 7.828 1.00 0.00 C ATOM 713 O SER A 46 1.983 1.407 7.501 1.00 0.00 O ATOM 714 CB SER A 46 1.402 2.036 10.279 1.00 0.00 C ATOM 715 OG SER A 46 2.594 2.773 10.510 1.00 0.00 O ATOM 0 H SER A 46 -0.569 0.937 9.011 1.00 0.00 H new ATOM 0 HA SER A 46 0.470 3.688 9.281 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.767 2.063 11.164 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.639 0.989 10.089 1.00 0.00 H new ATOM 0 HG SER A 46 3.070 2.393 11.278 1.00 0.00 H new ATOM 721 N LEU A 47 1.700 3.604 7.116 1.00 0.00 N ATOM 722 CA LEU A 47 2.482 3.577 5.888 1.00 0.00 C ATOM 723 C LEU A 47 3.891 4.097 6.139 1.00 0.00 C ATOM 724 O LEU A 47 4.078 5.238 6.563 1.00 0.00 O ATOM 725 CB LEU A 47 1.803 4.446 4.825 1.00 0.00 C ATOM 726 CG LEU A 47 2.204 3.987 3.416 1.00 0.00 C ATOM 727 CD1 LEU A 47 1.857 5.083 2.410 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.709 3.712 3.348 1.00 0.00 C ATOM 0 H LEU A 47 1.324 4.519 7.365 1.00 0.00 H new ATOM 0 HA LEU A 47 2.543 2.546 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.720 4.389 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.083 5.490 4.967 1.00 0.00 H new ATOM 0 HG LEU A 47 1.663 3.071 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.140 4.760 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.785 5.277 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.398 5.995 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.975 3.388 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.257 4.622 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.969 2.930 4.062 1.00 0.00 H new ATOM 740 N GLN A 48 4.877 3.259 5.856 1.00 0.00 N ATOM 741 CA GLN A 48 6.261 3.638 6.032 1.00 0.00 C ATOM 742 C GLN A 48 7.014 3.483 4.715 1.00 0.00 C ATOM 743 O GLN A 48 6.827 2.506 3.991 1.00 0.00 O ATOM 744 CB GLN A 48 6.899 2.760 7.104 1.00 0.00 C ATOM 745 CG GLN A 48 6.410 3.201 8.486 1.00 0.00 C ATOM 746 CD GLN A 48 7.211 2.490 9.571 1.00 0.00 C ATOM 747 OE1 GLN A 48 6.921 1.343 9.910 1.00 0.00 O ATOM 748 NE2 GLN A 48 8.210 3.110 10.140 1.00 0.00 N ATOM 0 H GLN A 48 4.739 2.312 5.503 1.00 0.00 H new ATOM 0 HA GLN A 48 6.311 4.681 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.642 1.715 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.985 2.834 7.050 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.517 4.281 8.592 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.350 2.973 8.596 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.448 4.061 9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.752 2.644 10.867 1.00 0.00 H new ATOM 757 N VAL A 49 7.865 4.451 4.409 1.00 0.00 N ATOM 758 CA VAL A 49 8.639 4.407 3.174 1.00 0.00 C ATOM 759 C VAL A 49 10.049 3.931 3.457 1.00 0.00 C ATOM 760 O VAL A 49 10.697 4.398 4.393 1.00 0.00 O ATOM 761 CB VAL A 49 8.715 5.789 2.525 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.314 5.660 1.122 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.310 6.392 2.433 1.00 0.00 C ATOM 0 H VAL A 49 8.037 5.270 4.992 1.00 0.00 H new ATOM 0 HA VAL A 49 8.138 3.716 2.495 1.00 0.00 H new ATOM 0 HB VAL A 49 9.346 6.441 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.369 6.645 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.315 5.235 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.685 5.008 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.366 7.377 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.675 5.744 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.888 6.485 3.434 1.00 0.00 H new ATOM 773 N ILE A 50 10.530 3.017 2.635 1.00 0.00 N ATOM 774 CA ILE A 50 11.873 2.512 2.803 1.00 0.00 C ATOM 775 C ILE A 50 12.689 2.862 1.576 1.00 0.00 C ATOM 776 O ILE A 50 12.311 2.526 0.454 1.00 0.00 O ATOM 777 CB ILE A 50 11.849 1.000 3.003 1.00 0.00 C ATOM 778 CG1 ILE A 50 10.869 0.659 4.127 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.249 0.513 3.379 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.061 -0.796 4.555 1.00 0.00 C ATOM 0 H ILE A 50 10.014 2.614 1.853 1.00 0.00 H new ATOM 0 HA ILE A 50 12.324 2.967 3.685 1.00 0.00 H new ATOM 0 HB ILE A 50 11.534 0.512 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.030 1.322 4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.845 0.817 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.232 -0.567 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.948 0.763 2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.566 0.996 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.361 -1.035 5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.877 -1.453 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.081 -0.939 4.910 1.00 0.00 H new ATOM 792 N ASN A 51 13.802 3.542 1.785 1.00 0.00 N ATOM 793 CA ASN A 51 14.638 3.925 0.667 1.00 0.00 C ATOM 794 C ASN A 51 15.528 2.748 0.282 1.00 0.00 C ATOM 795 O ASN A 51 16.479 2.419 0.992 1.00 0.00 O ATOM 796 CB ASN A 51 15.496 5.134 1.044 1.00 0.00 C ATOM 797 CG ASN A 51 15.863 5.927 -0.207 1.00 0.00 C ATOM 798 OD1 ASN A 51 15.390 5.616 -1.301 1.00 0.00 O ATOM 799 ND2 ASN A 51 16.676 6.943 -0.108 1.00 0.00 N ATOM 0 H ASN A 51 14.142 3.835 2.701 1.00 0.00 H new ATOM 0 HA ASN A 51 14.010 4.197 -0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.953 5.771 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.401 4.803 1.553 1.00 0.00 H new ATOM 0 HD21 ASN A 51 16.922 7.482 -0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.066 7.198 0.800 1.00 0.00 H new ATOM 806 N VAL A 52 15.198 2.102 -0.830 1.00 0.00 N ATOM 807 CA VAL A 52 15.957 0.943 -1.284 1.00 0.00 C ATOM 808 C VAL A 52 17.440 1.275 -1.403 1.00 0.00 C ATOM 809 O VAL A 52 18.290 0.390 -1.308 1.00 0.00 O ATOM 810 CB VAL A 52 15.418 0.457 -2.631 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.961 0.022 -2.463 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.497 1.592 -3.656 1.00 0.00 C ATOM 0 H VAL A 52 14.415 2.359 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 52 15.843 0.150 -0.545 1.00 0.00 H new ATOM 0 HB VAL A 52 16.015 -0.386 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.572 -0.325 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.904 -0.786 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.367 0.867 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.113 1.244 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.900 2.436 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.535 1.905 -3.773 1.00 0.00 H new ATOM 822 N ALA A 53 17.748 2.551 -1.593 1.00 0.00 N ATOM 823 CA ALA A 53 19.135 2.974 -1.700 1.00 0.00 C ATOM 824 C ALA A 53 19.806 2.889 -0.336 1.00 0.00 C ATOM 825 O ALA A 53 21.029 2.970 -0.225 1.00 0.00 O ATOM 826 CB ALA A 53 19.210 4.408 -2.226 1.00 0.00 C ATOM 0 H ALA A 53 17.064 3.303 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 53 19.652 2.315 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.254 4.714 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.744 4.459 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.686 5.075 -1.541 1.00 0.00 H new ATOM 832 N ASP A 54 18.992 2.728 0.705 1.00 0.00 N ATOM 833 CA ASP A 54 19.515 2.636 2.058 1.00 0.00 C ATOM 834 C ASP A 54 19.750 1.183 2.458 1.00 0.00 C ATOM 835 O ASP A 54 20.645 0.889 3.251 1.00 0.00 O ATOM 836 CB ASP A 54 18.535 3.280 3.042 1.00 0.00 C ATOM 837 CG ASP A 54 18.473 4.784 2.805 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.301 5.281 2.062 1.00 0.00 O ATOM 839 OD2 ASP A 54 17.595 5.416 3.371 1.00 0.00 O ATOM 0 H ASP A 54 17.977 2.659 0.635 1.00 0.00 H new ATOM 0 HA ASP A 54 20.468 3.164 2.087 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.544 2.843 2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.849 3.077 4.066 1.00 0.00 H new ATOM 844 N GLN A 55 18.942 0.276 1.915 1.00 0.00 N ATOM 845 CA GLN A 55 19.085 -1.136 2.245 1.00 0.00 C ATOM 846 C GLN A 55 18.590 -2.029 1.111 1.00 0.00 C ATOM 847 O GLN A 55 17.498 -2.593 1.179 1.00 0.00 O ATOM 848 CB GLN A 55 18.300 -1.441 3.518 1.00 0.00 C ATOM 849 CG GLN A 55 16.801 -1.336 3.234 1.00 0.00 C ATOM 850 CD GLN A 55 16.131 -0.480 4.303 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.501 0.680 4.489 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.164 -0.982 5.021 1.00 0.00 N ATOM 0 H GLN A 55 18.194 0.490 1.255 1.00 0.00 H new ATOM 0 HA GLN A 55 20.144 -1.344 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.543 -2.441 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.581 -0.743 4.307 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.638 -0.898 2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.354 -2.330 3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.859 -1.943 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.713 -0.414 5.738 1.00 0.00 H new ATOM 861 N PRO A 56 19.379 -2.176 0.085 1.00 0.00 N ATOM 862 CA PRO A 56 19.026 -3.030 -1.081 1.00 0.00 C ATOM 863 C PRO A 56 19.014 -4.514 -0.716 1.00 0.00 C ATOM 864 O PRO A 56 18.593 -5.362 -1.507 1.00 0.00 O ATOM 865 CB PRO A 56 20.115 -2.742 -2.123 1.00 0.00 C ATOM 866 CG PRO A 56 21.051 -1.731 -1.534 1.00 0.00 C ATOM 867 CD PRO A 56 20.691 -1.541 -0.060 1.00 0.00 C ATOM 0 HA PRO A 56 18.024 -2.807 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.651 -3.656 -2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.673 -2.363 -3.044 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.083 -2.067 -1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.972 -0.784 -2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.431 -2.006 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.652 -0.485 0.205 1.00 0.00 H new ATOM 875 N GLN A 57 19.501 -4.816 0.483 1.00 0.00 N ATOM 876 CA GLN A 57 19.576 -6.197 0.949 1.00 0.00 C ATOM 877 C GLN A 57 18.206 -6.781 1.267 1.00 0.00 C ATOM 878 O GLN A 57 17.919 -7.920 0.897 1.00 0.00 O ATOM 879 CB GLN A 57 20.449 -6.268 2.202 1.00 0.00 C ATOM 880 CG GLN A 57 20.264 -7.627 2.881 1.00 0.00 C ATOM 881 CD GLN A 57 21.204 -7.742 4.075 1.00 0.00 C ATOM 882 OE1 GLN A 57 22.203 -7.026 4.150 1.00 0.00 O ATOM 883 NE2 GLN A 57 20.940 -8.598 5.023 1.00 0.00 N ATOM 0 H GLN A 57 19.849 -4.126 1.148 1.00 0.00 H new ATOM 0 HA GLN A 57 20.009 -6.786 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.496 -6.122 1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.180 -5.467 2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.231 -7.742 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.465 -8.429 2.170 1.00 0.00 H new ATOM 0 HE21 GLN A 57 20.112 -9.190 4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.561 -8.675 5.828 1.00 0.00 H new ATOM 892 N LEU A 58 17.357 -6.026 1.953 1.00 0.00 N ATOM 893 CA LEU A 58 16.050 -6.544 2.290 1.00 0.00 C ATOM 894 C LEU A 58 15.189 -6.598 1.035 1.00 0.00 C ATOM 895 O LEU A 58 14.270 -7.411 0.931 1.00 0.00 O ATOM 896 CB LEU A 58 15.410 -5.682 3.385 1.00 0.00 C ATOM 897 CG LEU A 58 14.581 -4.556 2.768 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.299 -5.144 2.179 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.217 -3.541 3.858 1.00 0.00 C ATOM 0 H LEU A 58 17.548 -5.078 2.277 1.00 0.00 H new ATOM 0 HA LEU A 58 16.140 -7.557 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.776 -6.302 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.186 -5.261 4.024 1.00 0.00 H new ATOM 0 HG LEU A 58 15.155 -4.062 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.702 -4.346 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.553 -5.875 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.726 -5.631 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.625 -2.736 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.638 -4.036 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.129 -3.129 4.290 1.00 0.00 H new ATOM 911 N VAL A 59 15.509 -5.739 0.073 1.00 0.00 N ATOM 912 CA VAL A 59 14.774 -5.706 -1.182 1.00 0.00 C ATOM 913 C VAL A 59 14.935 -7.042 -1.908 1.00 0.00 C ATOM 914 O VAL A 59 13.963 -7.619 -2.391 1.00 0.00 O ATOM 915 CB VAL A 59 15.295 -4.559 -2.053 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.415 -4.413 -3.289 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.260 -3.256 -1.253 1.00 0.00 C ATOM 0 H VAL A 59 16.268 -5.061 0.139 1.00 0.00 H new ATOM 0 HA VAL A 59 13.715 -5.542 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 59 16.319 -4.775 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.788 -3.596 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.436 -5.340 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.391 -4.198 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.631 -2.439 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.235 -3.044 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.889 -3.355 -0.368 1.00 0.00 H new ATOM 927 N GLU A 60 16.168 -7.546 -1.960 1.00 0.00 N ATOM 928 CA GLU A 60 16.429 -8.832 -2.610 1.00 0.00 C ATOM 929 C GLU A 60 15.815 -9.975 -1.810 1.00 0.00 C ATOM 930 O GLU A 60 15.392 -10.983 -2.374 1.00 0.00 O ATOM 931 CB GLU A 60 17.935 -9.061 -2.739 1.00 0.00 C ATOM 932 CG GLU A 60 18.534 -8.015 -3.678 1.00 0.00 C ATOM 933 CD GLU A 60 20.023 -8.283 -3.869 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.547 -9.128 -3.164 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.617 -7.637 -4.718 1.00 0.00 O ATOM 0 H GLU A 60 16.992 -7.092 -1.566 1.00 0.00 H new ATOM 0 HA GLU A 60 15.976 -8.808 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.408 -8.998 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.129 -10.063 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.024 -8.043 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.385 -7.016 -3.267 1.00 0.00 H new ATOM 942 N TYR A 61 15.773 -9.814 -0.489 1.00 0.00 N ATOM 943 CA TYR A 61 15.211 -10.847 0.375 1.00 0.00 C ATOM 944 C TYR A 61 13.802 -11.192 -0.087 1.00 0.00 C ATOM 945 O TYR A 61 13.414 -12.359 -0.127 1.00 0.00 O ATOM 946 CB TYR A 61 15.171 -10.357 1.824 1.00 0.00 C ATOM 947 CG TYR A 61 14.822 -11.506 2.739 1.00 0.00 C ATOM 948 CD1 TYR A 61 13.482 -11.812 3.008 1.00 0.00 C ATOM 949 CD2 TYR A 61 15.843 -12.264 3.327 1.00 0.00 C ATOM 950 CE1 TYR A 61 13.165 -12.877 3.862 1.00 0.00 C ATOM 951 CE2 TYR A 61 15.526 -13.327 4.179 1.00 0.00 C ATOM 952 CZ TYR A 61 14.187 -13.634 4.447 1.00 0.00 C ATOM 953 OH TYR A 61 13.875 -14.683 5.287 1.00 0.00 O ATOM 0 H TYR A 61 16.117 -8.988 0.001 1.00 0.00 H new ATOM 0 HA TYR A 61 15.839 -11.736 0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.138 -9.938 2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.435 -9.560 1.928 1.00 0.00 H new ATOM 0 HD1 TYR A 61 12.693 -11.228 2.558 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.877 -12.027 3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.132 -13.114 4.069 1.00 0.00 H new ATOM 0 HE2 TYR A 61 16.315 -13.911 4.630 1.00 0.00 H new ATOM 0 HH TYR A 61 14.701 -15.103 5.606 1.00 0.00 H new ATOM 963 N TYR A 62 13.049 -10.162 -0.453 1.00 0.00 N ATOM 964 CA TYR A 62 11.691 -10.345 -0.935 1.00 0.00 C ATOM 965 C TYR A 62 11.707 -10.634 -2.430 1.00 0.00 C ATOM 966 O TYR A 62 10.681 -10.527 -3.103 1.00 0.00 O ATOM 967 CB TYR A 62 10.879 -9.071 -0.691 1.00 0.00 C ATOM 968 CG TYR A 62 10.608 -8.889 0.783 1.00 0.00 C ATOM 969 CD1 TYR A 62 9.812 -9.812 1.473 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.141 -7.784 1.458 1.00 0.00 C ATOM 971 CE1 TYR A 62 9.555 -9.632 2.837 1.00 0.00 C ATOM 972 CE2 TYR A 62 10.883 -7.603 2.819 1.00 0.00 C ATOM 973 CZ TYR A 62 10.090 -8.527 3.511 1.00 0.00 C ATOM 974 OH TYR A 62 9.835 -8.348 4.855 1.00 0.00 O ATOM 0 H TYR A 62 13.359 -9.191 -0.424 1.00 0.00 H new ATOM 0 HA TYR A 62 11.240 -11.181 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.422 -8.208 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.936 -9.124 -1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.397 -10.662 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.753 -7.071 0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.944 -10.345 3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.295 -6.750 3.338 1.00 0.00 H new ATOM 0 HH TYR A 62 10.282 -7.534 5.167 1.00 0.00 H new ATOM 984 N ARG A 63 12.883 -10.962 -2.955 1.00 0.00 N ATOM 985 CA ARG A 63 13.015 -11.213 -4.381 1.00 0.00 C ATOM 986 C ARG A 63 12.612 -9.951 -5.124 1.00 0.00 C ATOM 987 O ARG A 63 12.591 -9.902 -6.353 1.00 0.00 O ATOM 988 CB ARG A 63 12.132 -12.384 -4.807 1.00 0.00 C ATOM 989 CG ARG A 63 12.664 -13.669 -4.176 1.00 0.00 C ATOM 990 CD ARG A 63 11.930 -14.871 -4.764 1.00 0.00 C ATOM 991 NE ARG A 63 10.529 -14.862 -4.356 1.00 0.00 N ATOM 992 CZ ARG A 63 9.549 -14.883 -5.254 1.00 0.00 C ATOM 993 NH1 ARG A 63 9.457 -15.876 -6.097 1.00 0.00 N ATOM 994 NH2 ARG A 63 8.673 -13.917 -5.285 1.00 0.00 N ATOM 0 H ARG A 63 13.746 -11.059 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 63 14.047 -11.474 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.102 -12.211 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.125 -12.474 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.735 -13.759 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.526 -13.639 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.999 -14.850 -5.852 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.406 -15.794 -4.432 1.00 0.00 H new ATOM 0 HE ARG A 63 10.297 -14.839 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.137 -16.636 -6.066 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.705 -15.892 -6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.740 -13.146 -4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.921 -13.933 -5.974 1.00 0.00 H new ATOM 1008 N LEU A 64 12.302 -8.930 -4.335 1.00 0.00 N ATOM 1009 CA LEU A 64 11.906 -7.636 -4.861 1.00 0.00 C ATOM 1010 C LEU A 64 13.073 -7.015 -5.624 1.00 0.00 C ATOM 1011 O LEU A 64 14.196 -6.978 -5.127 1.00 0.00 O ATOM 1012 CB LEU A 64 11.498 -6.736 -3.683 1.00 0.00 C ATOM 1013 CG LEU A 64 10.651 -5.557 -4.161 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.470 -4.686 -5.107 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.412 -6.075 -4.884 1.00 0.00 C ATOM 0 H LEU A 64 12.319 -8.978 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 64 11.065 -7.746 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.937 -7.319 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.390 -6.366 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 64 10.344 -4.963 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.863 -3.846 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.350 -4.310 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.783 -5.278 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.810 -5.232 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.716 -6.674 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.824 -6.690 -4.203 1.00 0.00 H new ATOM 1027 N VAL A 65 12.813 -6.544 -6.837 1.00 0.00 N ATOM 1028 CA VAL A 65 13.868 -5.935 -7.642 1.00 0.00 C ATOM 1029 C VAL A 65 13.328 -4.783 -8.490 1.00 0.00 C ATOM 1030 O VAL A 65 14.094 -4.086 -9.155 1.00 0.00 O ATOM 1031 CB VAL A 65 14.510 -6.982 -8.554 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.693 -6.355 -9.291 1.00 0.00 C ATOM 1033 CG2 VAL A 65 15.010 -8.157 -7.712 1.00 0.00 C ATOM 0 H VAL A 65 11.895 -6.570 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 65 14.617 -5.537 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 65 13.772 -7.336 -9.274 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.152 -7.099 -9.942 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.344 -5.515 -9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.428 -6.003 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 65 15.467 -8.902 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.748 -7.801 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 65 14.172 -8.606 -7.179 1.00 0.00 H new ATOM 1043 N VAL A 66 12.012 -4.584 -8.467 1.00 0.00 N ATOM 1044 CA VAL A 66 11.404 -3.518 -9.241 1.00 0.00 C ATOM 1045 C VAL A 66 10.932 -2.391 -8.331 1.00 0.00 C ATOM 1046 O VAL A 66 10.400 -2.633 -7.248 1.00 0.00 O ATOM 1047 CB VAL A 66 10.210 -4.067 -10.020 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.698 -5.039 -11.093 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.266 -4.801 -9.068 1.00 0.00 C ATOM 0 H VAL A 66 11.355 -5.145 -7.924 1.00 0.00 H new ATOM 0 HA VAL A 66 12.151 -3.124 -9.931 1.00 0.00 H new ATOM 0 HB VAL A 66 9.681 -3.239 -10.491 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.844 -5.429 -11.647 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.368 -4.519 -11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.231 -5.864 -10.621 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.416 -5.191 -9.628 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.797 -5.626 -8.593 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.911 -4.110 -8.303 1.00 0.00 H new ATOM 1059 N THR A 67 11.117 -1.159 -8.787 1.00 0.00 N ATOM 1060 CA THR A 67 10.688 -0.003 -8.015 1.00 0.00 C ATOM 1061 C THR A 67 10.044 1.031 -8.940 1.00 0.00 C ATOM 1062 O THR A 67 10.412 1.138 -10.110 1.00 0.00 O ATOM 1063 CB THR A 67 11.873 0.618 -7.272 1.00 0.00 C ATOM 1064 OG1 THR A 67 13.018 0.614 -8.115 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.160 -0.199 -6.009 1.00 0.00 C ATOM 0 H THR A 67 11.557 -0.937 -9.680 1.00 0.00 H new ATOM 0 HA THR A 67 9.953 -0.328 -7.278 1.00 0.00 H new ATOM 0 HB THR A 67 11.635 1.645 -6.995 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.776 1.013 -7.639 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.004 0.239 -5.476 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.281 -0.193 -5.364 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.400 -1.225 -6.286 1.00 0.00 H new ATOM 1073 N PRO A 68 9.089 1.782 -8.452 1.00 0.00 N ATOM 1074 CA PRO A 68 8.612 1.688 -7.045 1.00 0.00 C ATOM 1075 C PRO A 68 7.821 0.408 -6.788 1.00 0.00 C ATOM 1076 O PRO A 68 7.206 -0.151 -7.695 1.00 0.00 O ATOM 1077 CB PRO A 68 7.716 2.915 -6.849 1.00 0.00 C ATOM 1078 CG PRO A 68 7.702 3.671 -8.144 1.00 0.00 C ATOM 1079 CD PRO A 68 8.363 2.802 -9.210 1.00 0.00 C ATOM 0 HA PRO A 68 9.451 1.661 -6.350 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.707 2.613 -6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.095 3.542 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.679 3.913 -8.432 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.236 4.615 -8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.622 2.353 -9.871 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.037 3.386 -9.836 1.00 0.00 H new ATOM 1087 N ALA A 69 7.851 -0.045 -5.543 1.00 0.00 N ATOM 1088 CA ALA A 69 7.147 -1.258 -5.162 1.00 0.00 C ATOM 1089 C ALA A 69 6.610 -1.116 -3.746 1.00 0.00 C ATOM 1090 O ALA A 69 7.244 -0.502 -2.889 1.00 0.00 O ATOM 1091 CB ALA A 69 8.098 -2.454 -5.226 1.00 0.00 C ATOM 0 H ALA A 69 8.355 0.409 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 69 6.318 -1.419 -5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.564 -3.360 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.478 -2.563 -6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.932 -2.293 -4.543 1.00 0.00 H new ATOM 1097 N LEU A 70 5.434 -1.676 -3.509 1.00 0.00 N ATOM 1098 CA LEU A 70 4.816 -1.593 -2.196 1.00 0.00 C ATOM 1099 C LEU A 70 4.588 -2.991 -1.629 1.00 0.00 C ATOM 1100 O LEU A 70 4.180 -3.902 -2.351 1.00 0.00 O ATOM 1101 CB LEU A 70 3.496 -0.836 -2.307 1.00 0.00 C ATOM 1102 CG LEU A 70 3.077 -0.340 -0.924 1.00 0.00 C ATOM 1103 CD1 LEU A 70 2.010 0.748 -1.066 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.512 -1.505 -0.112 1.00 0.00 C ATOM 0 H LEU A 70 4.892 -2.189 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 70 5.478 -1.057 -1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.604 0.006 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.725 -1.486 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 70 3.946 0.072 -0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.714 1.099 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.414 1.581 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.141 0.340 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.213 -1.150 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.645 -1.920 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.274 -2.277 -0.004 1.00 0.00 H new ATOM 1116 N VAL A 71 4.883 -3.169 -0.342 1.00 0.00 N ATOM 1117 CA VAL A 71 4.727 -4.479 0.281 1.00 0.00 C ATOM 1118 C VAL A 71 4.002 -4.409 1.624 1.00 0.00 C ATOM 1119 O VAL A 71 4.396 -3.656 2.514 1.00 0.00 O ATOM 1120 CB VAL A 71 6.108 -5.101 0.505 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.948 -6.507 1.087 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.869 -5.176 -0.824 1.00 0.00 C ATOM 0 H VAL A 71 5.225 -2.436 0.279 1.00 0.00 H new ATOM 0 HA VAL A 71 4.124 -5.086 -0.394 1.00 0.00 H new ATOM 0 HB VAL A 71 6.671 -4.481 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.932 -6.949 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.418 -6.449 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.380 -7.126 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.851 -5.620 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.309 -5.790 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.989 -4.172 -1.232 1.00 0.00 H new ATOM 1132 N LYS A 72 2.979 -5.249 1.783 1.00 0.00 N ATOM 1133 CA LYS A 72 2.256 -5.321 3.048 1.00 0.00 C ATOM 1134 C LYS A 72 2.903 -6.397 3.904 1.00 0.00 C ATOM 1135 O LYS A 72 3.089 -7.526 3.449 1.00 0.00 O ATOM 1136 CB LYS A 72 0.779 -5.661 2.839 1.00 0.00 C ATOM 1137 CG LYS A 72 0.074 -5.626 4.201 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.946 -6.763 4.308 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.237 -6.352 3.609 1.00 0.00 C ATOM 1140 NZ LYS A 72 -3.088 -7.553 3.387 1.00 0.00 N ATOM 0 H LYS A 72 2.637 -5.881 1.059 1.00 0.00 H new ATOM 0 HA LYS A 72 2.305 -4.347 3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.319 -4.947 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.678 -6.647 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.810 -5.714 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.427 -4.667 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.546 -7.669 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.143 -6.992 5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.773 -5.621 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.010 -5.873 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.911 -7.293 2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.535 -8.284 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.413 -7.922 4.303 1.00 0.00 H new ATOM 1154 N ILE A 73 3.278 -6.052 5.126 1.00 0.00 N ATOM 1155 CA ILE A 73 3.937 -7.022 5.985 1.00 0.00 C ATOM 1156 C ILE A 73 3.004 -7.577 7.059 1.00 0.00 C ATOM 1157 O ILE A 73 3.317 -8.598 7.673 1.00 0.00 O ATOM 1158 CB ILE A 73 5.172 -6.393 6.635 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.888 -4.926 6.971 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.358 -6.475 5.672 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.101 -4.051 5.730 1.00 0.00 C ATOM 0 H ILE A 73 3.141 -5.129 5.538 1.00 0.00 H new ATOM 0 HA ILE A 73 4.239 -7.859 5.356 1.00 0.00 H new ATOM 0 HB ILE A 73 5.410 -6.934 7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.864 -4.819 7.330 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.545 -4.595 7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.236 -6.027 6.137 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.565 -7.519 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.119 -5.938 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.896 -3.010 5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.132 -4.147 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.426 -4.373 4.937 1.00 0.00 H new ATOM 1173 N GLY A 74 1.860 -6.935 7.291 1.00 0.00 N ATOM 1174 CA GLY A 74 0.944 -7.451 8.300 1.00 0.00 C ATOM 1175 C GLY A 74 0.146 -6.344 8.981 1.00 0.00 C ATOM 1176 O GLY A 74 0.282 -5.166 8.650 1.00 0.00 O ATOM 0 H GLY A 74 1.555 -6.088 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.256 -8.158 7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.509 -8.003 9.051 1.00 0.00 H new ATOM 1180 N PRO A 75 -0.685 -6.717 9.922 1.00 0.00 N ATOM 1181 CA PRO A 75 -0.856 -8.140 10.329 1.00 0.00 C ATOM 1182 C PRO A 75 -1.518 -8.977 9.239 1.00 0.00 C ATOM 1183 O PRO A 75 -2.056 -8.440 8.270 1.00 0.00 O ATOM 1184 CB PRO A 75 -1.720 -8.093 11.596 1.00 0.00 C ATOM 1185 CG PRO A 75 -1.999 -6.650 11.891 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.557 -5.821 10.684 1.00 0.00 C ATOM 0 HA PRO A 75 0.108 -8.617 10.506 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.650 -8.642 11.448 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.202 -8.563 12.432 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.061 -6.500 12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.463 -6.334 12.786 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.412 -5.499 10.089 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.027 -4.920 10.994 1.00 0.00 H new ATOM 1194 N GLY A 76 -1.458 -10.295 9.395 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.037 -11.198 8.409 1.00 0.00 C ATOM 1196 C GLY A 76 -0.969 -11.675 7.431 1.00 0.00 C ATOM 1197 O GLY A 76 0.226 -11.565 7.704 1.00 0.00 O ATOM 0 H GLY A 76 -1.017 -10.759 10.189 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.487 -12.054 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.835 -10.691 7.867 1.00 0.00 H new ATOM 1201 N SER A 77 -1.405 -12.212 6.298 1.00 0.00 N ATOM 1202 CA SER A 77 -0.473 -12.710 5.293 1.00 0.00 C ATOM 1203 C SER A 77 0.333 -11.575 4.671 1.00 0.00 C ATOM 1204 O SER A 77 -0.009 -10.400 4.805 1.00 0.00 O ATOM 1205 CB SER A 77 -1.231 -13.450 4.195 1.00 0.00 C ATOM 1206 OG SER A 77 -0.371 -13.645 3.080 1.00 0.00 O ATOM 0 H SER A 77 -2.390 -12.314 6.053 1.00 0.00 H new ATOM 0 HA SER A 77 0.216 -13.392 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.587 -14.411 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.110 -12.879 3.896 1.00 0.00 H new ATOM 0 HG SER A 77 -0.855 -14.122 2.373 1.00 0.00 H new ATOM 1212 N ARG A 78 1.407 -11.952 3.991 1.00 0.00 N ATOM 1213 CA ARG A 78 2.283 -10.986 3.335 1.00 0.00 C ATOM 1214 C ARG A 78 1.918 -10.854 1.854 1.00 0.00 C ATOM 1215 O ARG A 78 1.529 -11.830 1.215 1.00 0.00 O ATOM 1216 CB ARG A 78 3.732 -11.453 3.459 1.00 0.00 C ATOM 1217 CG ARG A 78 4.667 -10.388 2.893 1.00 0.00 C ATOM 1218 CD ARG A 78 6.105 -10.902 2.948 1.00 0.00 C ATOM 1219 NE ARG A 78 6.238 -12.103 2.128 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.363 -12.028 0.807 1.00 0.00 C ATOM 1221 NH1 ARG A 78 6.143 -10.896 0.192 1.00 0.00 N ATOM 1222 NH2 ARG A 78 6.702 -13.087 0.122 1.00 0.00 N ATOM 0 H ARG A 78 1.695 -12.924 3.878 1.00 0.00 H new ATOM 0 HA ARG A 78 2.162 -10.015 3.816 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.974 -11.644 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.868 -12.392 2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.391 -10.154 1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.576 -9.465 3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.789 -10.131 2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.382 -11.123 3.979 1.00 0.00 H new ATOM 0 HE ARG A 78 6.235 -13.018 2.578 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.875 -10.069 0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.239 -10.839 -0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.871 -13.972 0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.798 -13.029 -0.892 1.00 0.00 H new ATOM 1236 N GLN A 79 2.051 -9.645 1.315 1.00 0.00 N ATOM 1237 CA GLN A 79 1.735 -9.407 -0.093 1.00 0.00 C ATOM 1238 C GLN A 79 2.714 -8.405 -0.699 1.00 0.00 C ATOM 1239 O GLN A 79 3.296 -7.588 0.012 1.00 0.00 O ATOM 1240 CB GLN A 79 0.309 -8.871 -0.229 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.687 -9.922 0.268 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.111 -9.466 -0.027 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -3.068 -10.183 0.269 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.312 -8.310 -0.597 1.00 0.00 N ATOM 0 H GLN A 79 2.372 -8.822 1.824 1.00 0.00 H new ATOM 0 HA GLN A 79 1.819 -10.353 -0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.199 -7.952 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.101 -8.623 -1.270 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.494 -10.878 -0.219 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.560 -10.078 1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.519 -7.717 -0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.262 -7.999 -0.798 1.00 0.00 H new ATOM 1253 N VAL A 80 2.891 -8.474 -2.016 1.00 0.00 N ATOM 1254 CA VAL A 80 3.806 -7.565 -2.699 1.00 0.00 C ATOM 1255 C VAL A 80 3.131 -6.884 -3.885 1.00 0.00 C ATOM 1256 O VAL A 80 2.621 -7.550 -4.787 1.00 0.00 O ATOM 1257 CB VAL A 80 5.022 -8.343 -3.206 1.00 0.00 C ATOM 1258 CG1 VAL A 80 5.983 -7.387 -3.915 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.737 -9.008 -2.028 1.00 0.00 C ATOM 0 H VAL A 80 2.419 -9.142 -2.625 1.00 0.00 H new ATOM 0 HA VAL A 80 4.112 -6.801 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 80 4.692 -9.110 -3.906 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.849 -7.942 -4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.475 -6.919 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.311 -6.617 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.602 -9.561 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.065 -8.244 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.053 -9.693 -1.527 1.00 0.00 H new ATOM 1269 N LEU A 81 3.157 -5.555 -3.893 1.00 0.00 N ATOM 1270 CA LEU A 81 2.571 -4.795 -4.990 1.00 0.00 C ATOM 1271 C LEU A 81 3.656 -3.965 -5.669 1.00 0.00 C ATOM 1272 O LEU A 81 4.323 -3.166 -5.015 1.00 0.00 O ATOM 1273 CB LEU A 81 1.487 -3.860 -4.463 1.00 0.00 C ATOM 1274 CG LEU A 81 0.655 -4.569 -3.394 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.295 -3.560 -2.751 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.164 -5.691 -4.029 1.00 0.00 C ATOM 0 H LEU A 81 3.575 -4.986 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 81 2.130 -5.490 -5.704 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.942 -2.962 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.843 -3.539 -5.282 1.00 0.00 H new ATOM 0 HG LEU A 81 1.321 -4.991 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.892 -4.058 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.283 -2.757 -2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.954 -3.144 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.754 -6.191 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.831 -5.273 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.507 -6.411 -4.497 1.00 0.00 H new ATOM 1288 N SER A 82 3.830 -4.139 -6.972 1.00 0.00 N ATOM 1289 CA SER A 82 4.844 -3.371 -7.692 1.00 0.00 C ATOM 1290 C SER A 82 4.498 -3.245 -9.161 1.00 0.00 C ATOM 1291 O SER A 82 3.617 -3.936 -9.672 1.00 0.00 O ATOM 1292 CB SER A 82 6.220 -4.020 -7.569 1.00 0.00 C ATOM 1293 OG SER A 82 7.136 -3.323 -8.404 1.00 0.00 O ATOM 0 H SER A 82 3.295 -4.791 -7.546 1.00 0.00 H new ATOM 0 HA SER A 82 4.868 -2.380 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.558 -3.992 -6.533 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.169 -5.069 -7.860 1.00 0.00 H new ATOM 0 HG SER A 82 7.258 -2.411 -8.066 1.00 0.00 H new ATOM 1299 N GLY A 83 5.213 -2.357 -9.834 1.00 0.00 N ATOM 1300 CA GLY A 83 4.994 -2.135 -11.257 1.00 0.00 C ATOM 1301 C GLY A 83 4.010 -0.992 -11.485 1.00 0.00 C ATOM 1302 O GLY A 83 3.022 -1.144 -12.204 1.00 0.00 O ATOM 0 H GLY A 83 5.946 -1.780 -9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.942 -1.906 -11.744 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.612 -3.046 -11.717 1.00 0.00 H new ATOM 1306 N ILE A 84 4.291 0.147 -10.862 1.00 0.00 N ATOM 1307 CA ILE A 84 3.437 1.327 -10.983 1.00 0.00 C ATOM 1308 C ILE A 84 1.956 0.958 -10.904 1.00 0.00 C ATOM 1309 O ILE A 84 1.085 1.806 -11.105 1.00 0.00 O ATOM 1310 CB ILE A 84 3.735 2.060 -12.299 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.115 1.313 -13.486 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.249 2.134 -12.497 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.245 2.173 -14.745 1.00 0.00 C ATOM 0 H ILE A 84 5.107 0.280 -10.265 1.00 0.00 H new ATOM 0 HA ILE A 84 3.658 1.989 -10.146 1.00 0.00 H new ATOM 0 HB ILE A 84 3.307 3.061 -12.248 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.617 0.356 -13.631 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.066 1.096 -13.286 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.469 2.653 -13.430 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.699 2.676 -11.665 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.660 1.125 -12.538 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.806 1.646 -15.592 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.724 3.118 -14.595 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.299 2.368 -14.946 1.00 0.00 H new ATOM 1325 N ASP A 85 1.677 -0.305 -10.605 1.00 0.00 N ATOM 1326 CA ASP A 85 0.299 -0.772 -10.494 1.00 0.00 C ATOM 1327 C ASP A 85 -0.151 -0.749 -9.037 1.00 0.00 C ATOM 1328 O ASP A 85 -1.214 -1.267 -8.695 1.00 0.00 O ATOM 1329 CB ASP A 85 0.194 -2.201 -11.026 1.00 0.00 C ATOM 1330 CG ASP A 85 0.974 -3.143 -10.116 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.844 -2.661 -9.411 1.00 0.00 O ATOM 1332 OD2 ASP A 85 0.690 -4.329 -10.137 1.00 0.00 O ATOM 0 H ASP A 85 2.382 -1.022 -10.436 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.341 -0.111 -11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.851 -2.507 -11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.587 -2.252 -12.042 1.00 0.00 H new ATOM 1337 N LEU A 86 0.673 -0.154 -8.183 1.00 0.00 N ATOM 1338 CA LEU A 86 0.367 -0.077 -6.763 1.00 0.00 C ATOM 1339 C LEU A 86 -1.073 0.364 -6.526 1.00 0.00 C ATOM 1340 O LEU A 86 -1.792 -0.245 -5.736 1.00 0.00 O ATOM 1341 CB LEU A 86 1.305 0.924 -6.091 1.00 0.00 C ATOM 1342 CG LEU A 86 2.758 0.522 -6.342 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.688 1.519 -5.648 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.001 -0.875 -5.774 1.00 0.00 C ATOM 0 H LEU A 86 1.556 0.281 -8.450 1.00 0.00 H new ATOM 0 HA LEU A 86 0.501 -1.072 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.123 1.925 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.108 0.958 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 86 2.957 0.522 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.725 1.234 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.513 2.518 -6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.490 1.516 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.037 -1.165 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.804 -0.871 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.336 -1.587 -6.263 1.00 0.00 H new ATOM 1356 N THR A 87 -1.484 1.435 -7.194 1.00 0.00 N ATOM 1357 CA THR A 87 -2.838 1.950 -7.015 1.00 0.00 C ATOM 1358 C THR A 87 -3.885 0.968 -7.527 1.00 0.00 C ATOM 1359 O THR A 87 -4.939 0.808 -6.913 1.00 0.00 O ATOM 1360 CB THR A 87 -2.992 3.295 -7.735 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.899 3.091 -9.138 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.887 4.253 -7.285 1.00 0.00 C ATOM 0 H THR A 87 -0.910 1.958 -7.855 1.00 0.00 H new ATOM 0 HA THR A 87 -2.999 2.088 -5.946 1.00 0.00 H new ATOM 0 HB THR A 87 -3.963 3.726 -7.490 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.999 3.949 -9.601 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.001 5.207 -7.799 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.958 4.410 -6.209 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.914 3.825 -7.526 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.603 0.307 -8.643 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.551 -0.649 -9.187 1.00 0.00 C ATOM 1372 C ASP A 88 -4.607 -1.885 -8.297 1.00 0.00 C ATOM 1373 O ASP A 88 -5.685 -2.342 -7.914 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.134 -1.048 -10.602 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.284 0.141 -11.544 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.938 1.098 -11.163 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.746 0.077 -12.638 1.00 0.00 O ATOM 0 H ASP A 88 -2.741 0.414 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.539 -0.189 -9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.100 -1.394 -10.602 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.748 -1.878 -10.951 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.435 -2.411 -7.961 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.353 -3.584 -7.102 1.00 0.00 C ATOM 1384 C GLN A 89 -3.797 -3.236 -5.685 1.00 0.00 C ATOM 1385 O GLN A 89 -4.554 -3.980 -5.063 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.918 -4.111 -7.085 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.936 -5.638 -7.017 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.509 -6.171 -7.077 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.271 -7.350 -6.815 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.458 -5.365 -7.420 1.00 0.00 N ATOM 0 H GLN A 89 -2.534 -2.046 -8.269 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.015 -4.356 -7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.388 -3.782 -7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.380 -3.705 -6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.418 -5.965 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.521 -6.042 -7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.256 -4.389 -7.636 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.416 -5.711 -7.472 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.324 -2.099 -5.174 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.690 -1.679 -3.827 1.00 0.00 C ATOM 1401 C LEU A 90 -5.204 -1.576 -3.689 1.00 0.00 C ATOM 1402 O LEU A 90 -5.787 -2.080 -2.730 1.00 0.00 O ATOM 1403 CB LEU A 90 -3.055 -0.327 -3.506 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.460 0.109 -2.098 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.772 -0.789 -1.070 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -3.031 1.559 -1.876 1.00 0.00 C ATOM 0 H LEU A 90 -2.696 -1.463 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.322 -2.427 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.970 -0.398 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.375 0.418 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.541 0.026 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.060 -0.479 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.074 -1.824 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.691 -0.705 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.318 1.874 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.950 1.639 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.519 2.199 -2.611 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.832 -0.918 -4.655 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.280 -0.753 -4.633 1.00 0.00 C ATOM 1420 C ALA A 91 -7.970 -2.111 -4.590 1.00 0.00 C ATOM 1421 O ALA A 91 -8.969 -2.290 -3.893 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.734 0.011 -5.879 1.00 0.00 C ATOM 0 H ALA A 91 -5.367 -0.493 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.552 -0.190 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.817 0.131 -5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.260 0.992 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.449 -0.546 -6.771 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.426 -3.064 -5.339 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.986 -4.406 -5.384 1.00 0.00 C ATOM 1430 C ASN A 92 -7.557 -5.210 -4.167 1.00 0.00 C ATOM 1431 O ASN A 92 -8.324 -6.008 -3.627 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.500 -5.111 -6.647 1.00 0.00 C ATOM 1433 CG ASN A 92 -8.137 -4.483 -7.881 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -7.659 -4.683 -8.997 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -9.195 -3.731 -7.746 1.00 0.00 N ATOM 0 H ASN A 92 -6.599 -2.931 -5.922 1.00 0.00 H new ATOM 0 HA ASN A 92 -9.073 -4.331 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.414 -5.043 -6.715 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.750 -6.171 -6.599 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.628 -3.307 -8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.589 -3.567 -6.820 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.314 -5.007 -3.757 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.760 -5.724 -2.620 1.00 0.00 C ATOM 1444 C GLN A 93 -6.253 -5.155 -1.295 1.00 0.00 C ATOM 1445 O GLN A 93 -6.440 -5.893 -0.328 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.239 -5.649 -2.673 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.742 -6.480 -3.852 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.113 -7.938 -3.636 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -4.062 -8.434 -2.510 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.483 -8.661 -4.652 1.00 0.00 N ATOM 0 H GLN A 93 -5.669 -4.350 -4.196 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.092 -6.760 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.917 -4.613 -2.780 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.811 -6.022 -1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.183 -6.115 -4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.661 -6.380 -3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.525 -8.248 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.732 -9.641 -4.517 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.450 -3.847 -1.253 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.908 -3.202 -0.032 1.00 0.00 C ATOM 1461 C LEU A 94 -8.167 -3.884 0.513 1.00 0.00 C ATOM 1462 O LEU A 94 -8.167 -4.365 1.647 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.162 -1.717 -0.292 1.00 0.00 C ATOM 1464 CG LEU A 94 -7.989 -1.126 0.849 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.264 -1.357 2.178 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.159 0.377 0.621 1.00 0.00 C ATOM 0 H LEU A 94 -6.302 -3.216 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.129 -3.298 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.214 -1.186 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.687 -1.589 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.966 -1.607 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.854 -0.936 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.134 -2.427 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.288 -0.873 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.749 0.804 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.179 0.854 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.671 0.546 -0.327 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.228 -3.956 -0.256 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.485 -4.617 0.195 1.00 0.00 C ATOM 1480 C PRO A 95 -10.213 -5.985 0.818 1.00 0.00 C ATOM 1481 O PRO A 95 -10.731 -6.307 1.887 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.321 -4.779 -1.084 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.511 -4.220 -2.216 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.361 -3.416 -1.612 1.00 0.00 C ATOM 0 HA PRO A 95 -10.989 -4.029 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.555 -5.829 -1.260 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.270 -4.251 -0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.127 -5.023 -2.845 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.129 -3.586 -2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.442 -3.542 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.584 -2.349 -1.597 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.398 -6.783 0.136 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.060 -8.118 0.621 1.00 0.00 C ATOM 1494 C GLN A 96 -8.361 -8.040 1.970 1.00 0.00 C ATOM 1495 O GLN A 96 -8.520 -8.920 2.814 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.147 -8.816 -0.385 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.894 -8.990 -1.706 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.997 -9.673 -2.732 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.833 -9.958 -2.450 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.472 -9.949 -3.915 1.00 0.00 N ATOM 0 H GLN A 96 -8.961 -6.531 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.983 -8.686 0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.242 -8.229 -0.540 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.836 -9.787 0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.795 -9.583 -1.547 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.214 -8.018 -2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.437 -9.712 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.879 -10.402 -4.610 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.580 -6.985 2.162 1.00 0.00 N ATOM 1510 CA TRP A 97 -6.853 -6.812 3.414 1.00 0.00 C ATOM 1511 C TRP A 97 -7.823 -6.677 4.582 1.00 0.00 C ATOM 1512 O TRP A 97 -7.628 -7.286 5.632 1.00 0.00 O ATOM 1513 CB TRP A 97 -5.981 -5.559 3.346 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.012 -5.668 2.213 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -4.882 -6.734 1.388 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.031 -4.688 1.771 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.882 -6.467 0.467 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.327 -5.217 0.664 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.688 -3.401 2.223 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.318 -4.494 0.026 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.674 -2.670 1.584 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -1.990 -3.216 0.490 1.00 0.00 C ATOM 0 H TRP A 97 -7.434 -6.244 1.476 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.226 -7.690 3.566 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.608 -4.677 3.215 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.442 -5.430 4.285 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.463 -7.643 1.440 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.591 -7.114 -0.266 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.208 -2.972 3.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.795 -4.918 -0.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.420 -1.682 1.938 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.209 -2.650 0.005 1.00 0.00 H new ATOM 1533 N LEU A 98 -8.865 -5.875 4.391 1.00 0.00 N ATOM 1534 CA LEU A 98 -9.858 -5.667 5.434 1.00 0.00 C ATOM 1535 C LEU A 98 -10.779 -6.877 5.551 1.00 0.00 C ATOM 1536 O LEU A 98 -11.141 -7.294 6.652 1.00 0.00 O ATOM 1537 CB LEU A 98 -10.687 -4.428 5.106 1.00 0.00 C ATOM 1538 CG LEU A 98 -9.766 -3.214 4.976 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -10.610 -1.962 4.736 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -8.960 -3.043 6.265 1.00 0.00 C ATOM 0 H LEU A 98 -9.042 -5.362 3.528 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.342 -5.529 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.237 -4.581 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.426 -4.255 5.889 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.084 -3.363 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.956 -1.095 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.186 -2.082 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.290 -1.815 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.304 -2.178 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.641 -2.893 7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.360 -3.936 6.440 1.00 0.00 H new