USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 74 SER OG : rot 180:sc= 0.00162 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -165:sc= 0.00173 (180deg=0) USER MOD Set 2.1: A 14 SER OG : rot -151:sc= 0.0562 USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 0.739 USER MOD Single : A 20 HIS : no HD1:sc= -0.151 X(o=-0.15,f=0.0035) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.969! USER MOD Single : A 35 ASN : amide:sc= -0.355 K(o=-0.36,f=-2.7!) USER MOD Single : A 36 THR OG1 : rot -124:sc= -0.486 USER MOD Single : A 39 GLN : amide:sc= -0.565 X(o=-0.56,f=-0.56) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.243 F(o=-1.2,f=-0.24) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 47 CYS SG : rot -86:sc= -1.03 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 75:sc= 0.0624 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -78:sc= 0.721 USER MOD Single : A 64 GLN : amide:sc= -0.341 K(o=-0.34,f=-3!) USER MOD Single : A 68 CYS SG : rot 180:sc= -2.76! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 77 MET CE :methyl -105:sc= -0.0224 (180deg=-1.03) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -142:sc= -3.85! (180deg=-5.36!) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= 0.378 (180deg=0.0454) USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 12 -1.520 15.314 -12.010 1.00 0.00 N ATOM 121 CA ARG A 12 -1.893 14.433 -13.104 1.00 0.00 C ATOM 122 C ARG A 12 -1.677 12.972 -12.706 1.00 0.00 C ATOM 123 O ARG A 12 -0.624 12.618 -12.176 1.00 0.00 O ATOM 124 CB ARG A 12 -1.076 14.739 -14.361 1.00 0.00 C ATOM 125 CG ARG A 12 -1.884 15.585 -15.347 1.00 0.00 C ATOM 126 CD ARG A 12 -1.213 16.940 -15.585 1.00 0.00 C ATOM 127 NE ARG A 12 -2.153 18.035 -15.257 1.00 0.00 N ATOM 128 CZ ARG A 12 -1.941 19.323 -15.559 1.00 0.00 C ATOM 129 NH1 ARG A 12 -0.820 19.685 -16.197 1.00 0.00 N ATOM 130 NH2 ARG A 12 -2.849 20.248 -15.222 1.00 0.00 N ATOM 0 HA ARG A 12 -2.948 14.602 -13.321 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.163 15.267 -14.086 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.774 13.807 -14.838 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.982 15.053 -16.293 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.892 15.737 -14.961 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.316 17.024 -14.971 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.896 17.021 -16.625 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.016 17.794 -14.770 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.128 18.980 -16.453 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.658 20.665 -16.427 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.702 19.972 -14.735 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.688 21.229 -15.452 1.00 0.00 H new ATOM 144 N TRP A 13 -2.689 12.161 -12.978 1.00 0.00 N ATOM 145 CA TRP A 13 -2.622 10.746 -12.655 1.00 0.00 C ATOM 146 C TRP A 13 -2.920 9.956 -13.931 1.00 0.00 C ATOM 147 O TRP A 13 -3.688 10.406 -14.780 1.00 0.00 O ATOM 148 CB TRP A 13 -3.569 10.401 -11.504 1.00 0.00 C ATOM 149 CG TRP A 13 -3.193 11.054 -10.172 1.00 0.00 C ATOM 150 CD1 TRP A 13 -3.222 12.356 -9.854 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.728 10.379 -8.984 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.811 12.568 -8.554 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.502 11.327 -8.008 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.507 9.012 -8.743 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -2.042 11.011 -6.724 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -2.047 8.712 -7.455 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.814 9.655 -6.461 1.00 0.00 C ATOM 0 H TRP A 13 -3.560 12.457 -13.419 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.626 10.477 -12.303 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.580 10.707 -11.774 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.587 9.319 -11.374 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.528 13.140 -10.530 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.746 13.469 -8.081 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.678 8.253 -9.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.872 11.772 -5.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.860 7.675 -7.217 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.459 9.343 -5.490 1.00 0.00 H new ATOM 168 N SER A 14 -2.295 8.791 -14.026 1.00 0.00 N ATOM 169 CA SER A 14 -2.484 7.934 -15.184 1.00 0.00 C ATOM 170 C SER A 14 -3.801 7.165 -15.058 1.00 0.00 C ATOM 171 O SER A 14 -4.519 7.316 -14.071 1.00 0.00 O ATOM 172 CB SER A 14 -1.314 6.960 -15.345 1.00 0.00 C ATOM 173 OG SER A 14 -1.660 5.639 -14.937 1.00 0.00 O ATOM 0 H SER A 14 -1.658 8.421 -13.321 1.00 0.00 H new ATOM 0 HA SER A 14 -2.523 8.564 -16.073 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.995 6.946 -16.387 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.466 7.311 -14.757 1.00 0.00 H new ATOM 0 HG SER A 14 -0.858 5.175 -14.618 1.00 0.00 H new ATOM 179 N PRO A 15 -4.085 6.337 -16.099 1.00 0.00 N ATOM 180 CA PRO A 15 -5.303 5.545 -16.114 1.00 0.00 C ATOM 181 C PRO A 15 -5.197 4.359 -15.154 1.00 0.00 C ATOM 182 O PRO A 15 -4.114 3.809 -14.958 1.00 0.00 O ATOM 183 CB PRO A 15 -5.480 5.123 -17.563 1.00 0.00 C ATOM 184 CG PRO A 15 -4.119 5.299 -18.218 1.00 0.00 C ATOM 185 CD PRO A 15 -3.258 6.134 -17.285 1.00 0.00 C ATOM 0 HA PRO A 15 -6.173 6.103 -15.767 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.815 4.088 -17.630 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.234 5.735 -18.059 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.655 4.330 -18.401 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.222 5.791 -19.185 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.329 5.620 -17.037 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.984 7.084 -17.744 1.00 0.00 H new ATOM 193 N PRO A 16 -6.366 3.989 -14.565 1.00 0.00 N ATOM 194 CA PRO A 16 -6.415 2.878 -13.631 1.00 0.00 C ATOM 195 C PRO A 16 -6.322 1.539 -14.365 1.00 0.00 C ATOM 196 O PRO A 16 -6.817 1.405 -15.483 1.00 0.00 O ATOM 197 CB PRO A 16 -7.725 3.054 -12.879 1.00 0.00 C ATOM 198 CG PRO A 16 -8.574 3.981 -13.733 1.00 0.00 C ATOM 199 CD PRO A 16 -7.667 4.618 -14.774 1.00 0.00 C ATOM 0 HA PRO A 16 -5.572 2.872 -12.940 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.222 2.095 -12.730 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.554 3.481 -11.891 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.378 3.425 -14.216 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.042 4.747 -13.115 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.036 4.439 -15.784 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.610 5.699 -14.642 1.00 0.00 H new ATOM 207 N ARG A 17 -5.684 0.583 -13.707 1.00 0.00 N ATOM 208 CA ARG A 17 -5.520 -0.741 -14.283 1.00 0.00 C ATOM 209 C ARG A 17 -6.397 -1.754 -13.545 1.00 0.00 C ATOM 210 O ARG A 17 -6.376 -1.821 -12.317 1.00 0.00 O ATOM 211 CB ARG A 17 -4.060 -1.195 -14.214 1.00 0.00 C ATOM 212 CG ARG A 17 -3.369 -0.629 -12.972 1.00 0.00 C ATOM 213 CD ARG A 17 -1.934 -1.148 -12.859 1.00 0.00 C ATOM 214 NE ARG A 17 -0.997 -0.185 -13.479 1.00 0.00 N ATOM 215 CZ ARG A 17 0.337 -0.309 -13.449 1.00 0.00 C ATOM 216 NH1 ARG A 17 0.899 -1.356 -12.829 1.00 0.00 N ATOM 217 NH2 ARG A 17 1.109 0.614 -14.038 1.00 0.00 N ATOM 0 H ARG A 17 -5.274 0.699 -12.780 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.823 -0.687 -15.329 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.014 -2.284 -14.196 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.531 -0.869 -15.109 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.363 0.460 -13.019 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.931 -0.906 -12.080 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.674 -1.297 -11.811 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.850 -2.118 -13.350 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.391 0.624 -13.959 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.311 -2.058 -12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.914 -1.450 -12.806 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.681 1.411 -14.509 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.124 0.520 -14.015 1.00 0.00 H new ATOM 231 N GLY A 18 -7.148 -2.518 -14.325 1.00 0.00 N ATOM 232 CA GLY A 18 -8.031 -3.524 -13.760 1.00 0.00 C ATOM 233 C GLY A 18 -7.262 -4.805 -13.429 1.00 0.00 C ATOM 234 O GLY A 18 -6.997 -5.620 -14.311 1.00 0.00 O ATOM 0 H GLY A 18 -7.163 -2.460 -15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.501 -3.134 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.831 -3.748 -14.465 1.00 0.00 H new ATOM 238 N ILE A 19 -6.924 -4.942 -12.155 1.00 0.00 N ATOM 239 CA ILE A 19 -6.191 -6.109 -11.697 1.00 0.00 C ATOM 240 C ILE A 19 -7.182 -7.205 -11.300 1.00 0.00 C ATOM 241 O ILE A 19 -8.300 -6.913 -10.879 1.00 0.00 O ATOM 242 CB ILE A 19 -5.218 -5.726 -10.580 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.524 -4.398 -10.889 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.214 -6.850 -10.317 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.360 -4.150 -9.927 1.00 0.00 C ATOM 0 H ILE A 19 -7.145 -4.264 -11.426 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.575 -6.512 -12.501 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.790 -5.585 -9.663 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.157 -4.406 -11.915 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.243 -3.582 -10.814 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.534 -6.551 -9.519 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.748 -7.753 -10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.643 -7.048 -11.224 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.884 -3.200 -10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.734 -4.119 -8.904 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.631 -4.955 -10.022 1.00 0.00 H new ATOM 257 N HIS A 20 -6.735 -8.444 -11.448 1.00 0.00 N ATOM 258 CA HIS A 20 -7.569 -9.585 -11.111 1.00 0.00 C ATOM 259 C HIS A 20 -6.755 -10.592 -10.295 1.00 0.00 C ATOM 260 O HIS A 20 -5.848 -11.235 -10.822 1.00 0.00 O ATOM 261 CB HIS A 20 -8.183 -10.201 -12.370 1.00 0.00 C ATOM 262 CG HIS A 20 -7.254 -10.222 -13.559 1.00 0.00 C ATOM 263 ND1 HIS A 20 -7.451 -9.432 -14.679 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.120 -10.943 -13.792 1.00 0.00 C ATOM 265 CE1 HIS A 20 -6.474 -9.676 -15.540 1.00 0.00 C ATOM 266 NE2 HIS A 20 -5.651 -10.614 -14.989 1.00 0.00 N ATOM 0 H HIS A 20 -5.806 -8.682 -11.797 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.405 -9.259 -10.492 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.495 -11.221 -12.148 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.082 -9.643 -12.634 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.678 -11.661 -13.116 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.351 -9.213 -16.508 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.813 -10.999 -15.425 1.00 0.00 H new ATOM 274 N PHE A 21 -7.108 -10.697 -9.022 1.00 0.00 N ATOM 275 CA PHE A 21 -6.422 -11.614 -8.129 1.00 0.00 C ATOM 276 C PHE A 21 -7.307 -11.984 -6.937 1.00 0.00 C ATOM 277 O PHE A 21 -8.385 -11.418 -6.760 1.00 0.00 O ATOM 278 CB PHE A 21 -5.174 -10.891 -7.618 1.00 0.00 C ATOM 279 CG PHE A 21 -5.475 -9.684 -6.728 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.912 -8.522 -7.284 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.306 -9.771 -5.382 1.00 0.00 C ATOM 282 CE1 PHE A 21 -6.192 -7.401 -6.459 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.585 -8.650 -4.556 1.00 0.00 C ATOM 284 CZ PHE A 21 -6.022 -7.489 -5.112 1.00 0.00 C ATOM 0 H PHE A 21 -7.860 -10.162 -8.588 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.171 -12.533 -8.660 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.561 -11.598 -7.059 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.582 -10.561 -8.472 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.046 -8.452 -8.353 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.959 -10.694 -4.940 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.540 -6.479 -6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.450 -8.720 -3.487 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.234 -6.636 -4.484 1.00 0.00 H new ATOM 294 N THR A 22 -6.819 -12.931 -6.149 1.00 0.00 N ATOM 295 CA THR A 22 -7.552 -13.383 -4.979 1.00 0.00 C ATOM 296 C THR A 22 -6.812 -12.987 -3.700 1.00 0.00 C ATOM 297 O THR A 22 -5.770 -13.557 -3.380 1.00 0.00 O ATOM 298 CB THR A 22 -7.772 -14.891 -5.112 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.941 -15.002 -5.919 1.00 0.00 O ATOM 300 CG2 THR A 22 -8.171 -15.543 -3.787 1.00 0.00 C ATOM 0 H THR A 22 -5.924 -13.398 -6.298 1.00 0.00 H new ATOM 0 HA THR A 22 -8.528 -12.902 -4.914 1.00 0.00 H new ATOM 0 HB THR A 22 -6.862 -15.359 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.155 -15.948 -6.057 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.315 -16.613 -3.937 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.383 -15.382 -3.051 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.099 -15.099 -3.428 1.00 0.00 H new ATOM 308 N VAL A 23 -7.379 -12.013 -3.003 1.00 0.00 N ATOM 309 CA VAL A 23 -6.786 -11.534 -1.766 1.00 0.00 C ATOM 310 C VAL A 23 -6.311 -12.729 -0.937 1.00 0.00 C ATOM 311 O VAL A 23 -6.837 -13.833 -1.074 1.00 0.00 O ATOM 312 CB VAL A 23 -7.781 -10.645 -1.018 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.285 -10.337 0.396 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.058 -9.357 -1.796 1.00 0.00 C ATOM 0 H VAL A 23 -8.243 -11.542 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.913 -10.916 -1.975 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.720 -11.192 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.011 -9.704 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.163 -11.268 0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.327 -9.820 0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.768 -8.743 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.128 -8.805 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.476 -9.604 -2.772 1.00 0.00 H new ATOM 324 N GLU A 24 -5.321 -12.469 -0.096 1.00 0.00 N ATOM 325 CA GLU A 24 -4.770 -13.510 0.755 1.00 0.00 C ATOM 326 C GLU A 24 -5.047 -13.195 2.227 1.00 0.00 C ATOM 327 O GLU A 24 -4.362 -12.369 2.828 1.00 0.00 O ATOM 328 CB GLU A 24 -3.271 -13.685 0.505 1.00 0.00 C ATOM 329 CG GLU A 24 -3.018 -14.614 -0.684 1.00 0.00 C ATOM 330 CD GLU A 24 -3.135 -16.082 -0.268 1.00 0.00 C ATOM 331 OE1 GLU A 24 -4.284 -16.515 -0.032 1.00 0.00 O ATOM 332 OE2 GLU A 24 -2.073 -16.737 -0.194 1.00 0.00 O ATOM 0 H GLU A 24 -4.886 -11.553 0.014 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.259 -14.452 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.814 -12.714 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.795 -14.092 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.734 -14.399 -1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.025 -14.426 -1.092 1.00 0.00 H new ATOM 339 N GLU A 25 -6.054 -13.868 2.763 1.00 0.00 N ATOM 340 CA GLU A 25 -6.430 -13.671 4.153 1.00 0.00 C ATOM 341 C GLU A 25 -5.488 -14.448 5.074 1.00 0.00 C ATOM 342 O GLU A 25 -5.938 -15.211 5.928 1.00 0.00 O ATOM 343 CB GLU A 25 -7.886 -14.076 4.390 1.00 0.00 C ATOM 344 CG GLU A 25 -8.107 -15.552 4.048 1.00 0.00 C ATOM 345 CD GLU A 25 -9.516 -16.001 4.442 1.00 0.00 C ATOM 346 OE1 GLU A 25 -10.441 -15.178 4.272 1.00 0.00 O ATOM 347 OE2 GLU A 25 -9.634 -17.156 4.904 1.00 0.00 O ATOM 0 H GLU A 25 -6.621 -14.550 2.260 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.340 -12.610 4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.152 -13.896 5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.544 -13.455 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.957 -15.708 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.368 -16.164 4.566 1.00 0.00 H new ATOM 354 N GLY A 26 -4.197 -14.228 4.870 1.00 0.00 N ATOM 355 CA GLY A 26 -3.188 -14.898 5.671 1.00 0.00 C ATOM 356 C GLY A 26 -1.801 -14.302 5.417 1.00 0.00 C ATOM 357 O GLY A 26 -1.014 -14.135 6.347 1.00 0.00 O ATOM 0 H GLY A 26 -3.827 -13.595 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.439 -14.808 6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.179 -15.962 5.435 1.00 0.00 H new ATOM 361 N ASP A 27 -1.545 -13.998 4.153 1.00 0.00 N ATOM 362 CA ASP A 27 -0.268 -13.425 3.766 1.00 0.00 C ATOM 363 C ASP A 27 -0.462 -12.552 2.524 1.00 0.00 C ATOM 364 O ASP A 27 -0.131 -12.965 1.413 1.00 0.00 O ATOM 365 CB ASP A 27 0.745 -14.518 3.422 1.00 0.00 C ATOM 366 CG ASP A 27 1.235 -15.343 4.613 1.00 0.00 C ATOM 367 OD1 ASP A 27 0.430 -16.163 5.106 1.00 0.00 O ATOM 368 OD2 ASP A 27 2.404 -15.136 5.005 1.00 0.00 O ATOM 0 H ASP A 27 -2.200 -14.138 3.384 1.00 0.00 H new ATOM 0 HA ASP A 27 0.106 -12.838 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.296 -15.192 2.692 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.607 -14.055 2.941 1.00 0.00 H new ATOM 373 N LEU A 28 -0.997 -11.362 2.753 1.00 0.00 N ATOM 374 CA LEU A 28 -1.239 -10.428 1.667 1.00 0.00 C ATOM 375 C LEU A 28 0.001 -10.361 0.773 1.00 0.00 C ATOM 376 O LEU A 28 -0.114 -10.220 -0.444 1.00 0.00 O ATOM 377 CB LEU A 28 -1.675 -9.069 2.217 1.00 0.00 C ATOM 378 CG LEU A 28 -3.154 -8.937 2.584 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.465 -7.535 3.112 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.048 -9.315 1.401 1.00 0.00 C ATOM 0 H LEU A 28 -1.270 -11.023 3.675 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.064 -10.773 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.080 -8.851 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.435 -8.306 1.477 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.370 -9.639 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.523 -7.468 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.866 -7.340 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.228 -6.797 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.094 -9.213 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.837 -8.655 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.851 -10.347 1.111 1.00 0.00 H new ATOM 392 N GLY A 29 1.158 -10.466 1.410 1.00 0.00 N ATOM 393 CA GLY A 29 2.417 -10.419 0.687 1.00 0.00 C ATOM 394 C GLY A 29 2.970 -8.993 0.642 1.00 0.00 C ATOM 395 O GLY A 29 4.182 -8.791 0.709 1.00 0.00 O ATOM 0 H GLY A 29 1.250 -10.583 2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.141 -11.079 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.272 -10.789 -0.328 1.00 0.00 H new ATOM 399 N PHE A 30 2.056 -8.041 0.528 1.00 0.00 N ATOM 400 CA PHE A 30 2.437 -6.640 0.472 1.00 0.00 C ATOM 401 C PHE A 30 1.785 -5.849 1.608 1.00 0.00 C ATOM 402 O PHE A 30 1.038 -6.408 2.409 1.00 0.00 O ATOM 403 CB PHE A 30 1.936 -6.093 -0.866 1.00 0.00 C ATOM 404 CG PHE A 30 0.413 -6.081 -1.003 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.312 -5.071 -0.452 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.218 -7.082 -1.675 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.726 -5.060 -0.579 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.632 -7.071 -1.802 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.356 -6.060 -1.252 1.00 0.00 C ATOM 0 H PHE A 30 1.052 -8.212 0.473 1.00 0.00 H new ATOM 0 HA PHE A 30 3.518 -6.544 0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.310 -5.077 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.358 -6.692 -1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.188 -4.277 0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.357 -7.885 -2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.301 -4.258 -0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.133 -7.866 -2.335 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.432 -6.051 -1.350 1.00 0.00 H new ATOM 419 N THR A 31 2.093 -4.561 1.642 1.00 0.00 N ATOM 420 CA THR A 31 1.547 -3.688 2.667 1.00 0.00 C ATOM 421 C THR A 31 1.092 -2.363 2.052 1.00 0.00 C ATOM 422 O THR A 31 1.269 -2.137 0.856 1.00 0.00 O ATOM 423 CB THR A 31 2.606 -3.519 3.758 1.00 0.00 C ATOM 424 OG1 THR A 31 2.448 -2.170 4.190 1.00 0.00 O ATOM 425 CG2 THR A 31 4.031 -3.568 3.203 1.00 0.00 C ATOM 0 H THR A 31 2.714 -4.101 0.976 1.00 0.00 H new ATOM 0 HA THR A 31 0.657 -4.122 3.122 1.00 0.00 H new ATOM 0 HB THR A 31 2.481 -4.300 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.096 -1.976 4.899 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.744 -3.443 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.200 -4.529 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.166 -2.766 2.477 1.00 0.00 H new ATOM 433 N LEU A 32 0.515 -1.522 2.897 1.00 0.00 N ATOM 434 CA LEU A 32 0.034 -0.225 2.452 1.00 0.00 C ATOM 435 C LEU A 32 0.767 0.877 3.218 1.00 0.00 C ATOM 436 O LEU A 32 0.817 0.856 4.447 1.00 0.00 O ATOM 437 CB LEU A 32 -1.489 -0.149 2.572 1.00 0.00 C ATOM 438 CG LEU A 32 -2.279 -1.178 1.759 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.783 -1.015 1.983 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.908 -1.107 0.277 1.00 0.00 C ATOM 0 H LEU A 32 0.370 -1.713 3.888 1.00 0.00 H new ATOM 0 HA LEU A 32 0.255 -0.079 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.757 -0.262 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.808 0.848 2.267 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.008 -2.173 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.321 -1.758 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.011 -1.155 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.091 -0.016 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.483 -1.848 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.132 -0.112 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.844 -1.310 0.158 1.00 0.00 H new ATOM 452 N ARG A 33 1.318 1.814 2.461 1.00 0.00 N ATOM 453 CA ARG A 33 2.046 2.923 3.054 1.00 0.00 C ATOM 454 C ARG A 33 1.524 4.254 2.508 1.00 0.00 C ATOM 455 O ARG A 33 0.898 4.292 1.450 1.00 0.00 O ATOM 456 CB ARG A 33 3.545 2.815 2.766 1.00 0.00 C ATOM 457 CG ARG A 33 3.805 2.640 1.268 1.00 0.00 C ATOM 458 CD ARG A 33 5.293 2.792 0.948 1.00 0.00 C ATOM 459 NE ARG A 33 5.547 4.114 0.334 1.00 0.00 N ATOM 460 CZ ARG A 33 5.893 5.209 1.024 1.00 0.00 C ATOM 461 NH1 ARG A 33 6.029 5.147 2.356 1.00 0.00 N ATOM 462 NH2 ARG A 33 6.103 6.367 0.383 1.00 0.00 N ATOM 0 H ARG A 33 1.275 1.828 1.442 1.00 0.00 H new ATOM 0 HA ARG A 33 1.890 2.882 4.132 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.053 3.710 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.964 1.970 3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.459 1.657 0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.232 3.378 0.707 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.882 2.686 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.610 2.000 0.270 1.00 0.00 H new ATOM 0 HE ARG A 33 5.453 4.197 -0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.869 4.266 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.292 5.981 2.881 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.999 6.415 -0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.366 7.200 0.909 1.00 0.00 H new ATOM 476 N GLY A 34 1.801 5.313 3.254 1.00 0.00 N ATOM 477 CA GLY A 34 1.367 6.642 2.858 1.00 0.00 C ATOM 478 C GLY A 34 -0.016 6.960 3.429 1.00 0.00 C ATOM 479 O GLY A 34 -0.513 6.244 4.298 1.00 0.00 O ATOM 0 H GLY A 34 2.321 5.278 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.087 7.382 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.340 6.711 1.770 1.00 0.00 H new ATOM 483 N ASN A 35 -0.600 8.033 2.917 1.00 0.00 N ATOM 484 CA ASN A 35 -1.916 8.455 3.365 1.00 0.00 C ATOM 485 C ASN A 35 -2.965 8.007 2.346 1.00 0.00 C ATOM 486 O ASN A 35 -3.726 7.075 2.601 1.00 0.00 O ATOM 487 CB ASN A 35 -1.995 9.978 3.487 1.00 0.00 C ATOM 488 CG ASN A 35 -2.407 10.395 4.900 1.00 0.00 C ATOM 489 OD1 ASN A 35 -2.403 9.608 5.833 1.00 0.00 O ATOM 490 ND2 ASN A 35 -2.761 11.672 5.006 1.00 0.00 N ATOM 0 H ASN A 35 -0.186 8.623 2.196 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.100 8.006 4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.028 10.416 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.713 10.367 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.052 12.047 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.742 12.276 4.185 1.00 0.00 H new ATOM 497 N THR A 36 -2.971 8.691 1.211 1.00 0.00 N ATOM 498 CA THR A 36 -3.914 8.375 0.152 1.00 0.00 C ATOM 499 C THR A 36 -3.619 9.215 -1.093 1.00 0.00 C ATOM 500 O THR A 36 -3.285 10.394 -0.985 1.00 0.00 O ATOM 501 CB THR A 36 -5.328 8.578 0.701 1.00 0.00 C ATOM 502 OG1 THR A 36 -6.167 8.448 -0.444 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.570 10.010 1.180 1.00 0.00 C ATOM 0 H THR A 36 -2.338 9.463 1.002 1.00 0.00 H new ATOM 0 HA THR A 36 -3.819 7.336 -0.165 1.00 0.00 H new ATOM 0 HB THR A 36 -5.500 7.886 1.525 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.719 9.252 -0.538 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.588 10.100 1.560 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.864 10.252 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.431 10.700 0.348 1.00 0.00 H new ATOM 511 N PRO A 37 -3.758 8.559 -2.275 1.00 0.00 N ATOM 512 CA PRO A 37 -4.158 7.163 -2.314 1.00 0.00 C ATOM 513 C PRO A 37 -3.001 6.249 -1.903 1.00 0.00 C ATOM 514 O PRO A 37 -1.882 6.402 -2.389 1.00 0.00 O ATOM 515 CB PRO A 37 -4.623 6.926 -3.742 1.00 0.00 C ATOM 516 CG PRO A 37 -4.034 8.060 -4.565 1.00 0.00 C ATOM 517 CD PRO A 37 -3.538 9.126 -3.603 1.00 0.00 C ATOM 0 HA PRO A 37 -4.955 6.934 -1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.281 5.958 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.711 6.923 -3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.216 7.696 -5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.785 8.473 -5.238 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.484 9.349 -3.769 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.085 10.060 -3.730 1.00 0.00 H new ATOM 525 N VAL A 38 -3.312 5.320 -1.011 1.00 0.00 N ATOM 526 CA VAL A 38 -2.312 4.382 -0.529 1.00 0.00 C ATOM 527 C VAL A 38 -1.678 3.662 -1.721 1.00 0.00 C ATOM 528 O VAL A 38 -2.350 3.385 -2.713 1.00 0.00 O ATOM 529 CB VAL A 38 -2.940 3.422 0.483 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.295 4.150 1.782 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.168 2.727 -0.108 1.00 0.00 C ATOM 0 H VAL A 38 -4.242 5.197 -0.610 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.515 4.910 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.202 2.655 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.740 3.445 2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.392 4.576 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.007 4.948 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.595 2.050 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.910 3.475 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.875 2.160 -0.992 1.00 0.00 H new ATOM 541 N GLN A 39 -0.391 3.380 -1.584 1.00 0.00 N ATOM 542 CA GLN A 39 0.342 2.697 -2.637 1.00 0.00 C ATOM 543 C GLN A 39 0.481 1.209 -2.309 1.00 0.00 C ATOM 544 O GLN A 39 -0.086 0.731 -1.328 1.00 0.00 O ATOM 545 CB GLN A 39 1.712 3.341 -2.857 1.00 0.00 C ATOM 546 CG GLN A 39 1.572 4.730 -3.484 1.00 0.00 C ATOM 547 CD GLN A 39 2.311 5.782 -2.656 1.00 0.00 C ATOM 548 OE1 GLN A 39 3.514 5.959 -2.761 1.00 0.00 O ATOM 549 NE2 GLN A 39 1.528 6.469 -1.830 1.00 0.00 N ATOM 0 H GLN A 39 0.163 3.612 -0.760 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.221 2.792 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.238 3.419 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.317 2.705 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.969 4.716 -4.499 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.517 4.995 -3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.528 6.270 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.927 7.195 -1.235 1.00 0.00 H new ATOM 558 N VAL A 40 1.240 0.519 -3.148 1.00 0.00 N ATOM 559 CA VAL A 40 1.461 -0.904 -2.959 1.00 0.00 C ATOM 560 C VAL A 40 2.959 -1.166 -2.799 1.00 0.00 C ATOM 561 O VAL A 40 3.740 -0.905 -3.713 1.00 0.00 O ATOM 562 CB VAL A 40 0.837 -1.689 -4.115 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.399 -3.110 -4.180 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.689 -1.706 -4.006 1.00 0.00 C ATOM 0 H VAL A 40 1.709 0.919 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 40 0.971 -1.249 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 40 1.100 -1.183 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.939 -3.646 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.478 -3.068 -4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.181 -3.630 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.107 -2.270 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.981 -2.176 -3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.067 -0.684 -4.034 1.00 0.00 H new ATOM 574 N HIS A 41 3.316 -1.680 -1.631 1.00 0.00 N ATOM 575 CA HIS A 41 4.708 -1.980 -1.340 1.00 0.00 C ATOM 576 C HIS A 41 4.927 -3.494 -1.390 1.00 0.00 C ATOM 577 O HIS A 41 4.701 -4.191 -0.403 1.00 0.00 O ATOM 578 CB HIS A 41 5.128 -1.365 -0.004 1.00 0.00 C ATOM 579 CG HIS A 41 6.581 -1.584 0.344 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.328 -2.725 0.374 1.00 0.00 N flip ATOM 581 CD2 HIS A 41 7.427 -0.553 0.713 1.00 0.00 C flip ATOM 582 CE1 HIS A 41 8.563 -2.408 0.741 1.00 0.00 C flip ATOM 583 NE2 HIS A 41 8.627 -1.062 0.952 1.00 0.00 N flip ATOM 0 H HIS A 41 2.666 -1.896 -0.875 1.00 0.00 H new ATOM 0 HA HIS A 41 5.348 -1.529 -2.099 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.929 -0.294 -0.031 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.508 -1.785 0.788 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.155 0.489 0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.383 -3.102 0.854 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.453 -0.539 1.243 1.00 0.00 H new ATOM 591 N PHE A 42 5.366 -3.957 -2.552 1.00 0.00 N ATOM 592 CA PHE A 42 5.619 -5.375 -2.744 1.00 0.00 C ATOM 593 C PHE A 42 6.739 -5.862 -1.822 1.00 0.00 C ATOM 594 O PHE A 42 7.871 -5.389 -1.912 1.00 0.00 O ATOM 595 CB PHE A 42 6.056 -5.558 -4.199 1.00 0.00 C ATOM 596 CG PHE A 42 4.894 -5.680 -5.187 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.811 -6.440 -4.873 1.00 0.00 C ATOM 598 CD2 PHE A 42 4.944 -5.027 -6.379 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.733 -6.553 -5.790 1.00 0.00 C ATOM 600 CE2 PHE A 42 3.866 -5.140 -7.296 1.00 0.00 C ATOM 601 CZ PHE A 42 2.783 -5.901 -6.982 1.00 0.00 C ATOM 0 H PHE A 42 5.553 -3.376 -3.369 1.00 0.00 H new ATOM 0 HA PHE A 42 4.721 -5.948 -2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 42 6.679 -4.712 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.677 -6.451 -4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.771 -6.958 -3.926 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.804 -4.423 -6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.873 -7.157 -5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.906 -4.622 -8.243 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.963 -5.987 -7.680 1.00 0.00 H new ATOM 611 N LEU A 43 6.384 -6.802 -0.958 1.00 0.00 N ATOM 612 CA LEU A 43 7.345 -7.358 -0.021 1.00 0.00 C ATOM 613 C LEU A 43 7.689 -8.789 -0.439 1.00 0.00 C ATOM 614 O LEU A 43 8.756 -9.299 -0.100 1.00 0.00 O ATOM 615 CB LEU A 43 6.823 -7.245 1.413 1.00 0.00 C ATOM 616 CG LEU A 43 7.172 -5.953 2.154 1.00 0.00 C ATOM 617 CD1 LEU A 43 6.601 -5.963 3.573 1.00 0.00 C ATOM 618 CD2 LEU A 43 8.683 -5.708 2.146 1.00 0.00 C ATOM 0 H LEU A 43 5.444 -7.192 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 43 8.273 -6.787 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.738 -7.347 1.393 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.211 -8.086 1.987 1.00 0.00 H new ATOM 0 HG LEU A 43 6.707 -5.120 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.864 -5.033 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.516 -6.057 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.016 -6.806 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.905 -4.783 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.189 -6.540 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.033 -5.626 1.117 1.00 0.00 H new ATOM 630 N ASP A 44 6.765 -9.396 -1.169 1.00 0.00 N ATOM 631 CA ASP A 44 6.957 -10.758 -1.637 1.00 0.00 C ATOM 632 C ASP A 44 6.669 -10.822 -3.139 1.00 0.00 C ATOM 633 O ASP A 44 5.664 -10.288 -3.605 1.00 0.00 O ATOM 634 CB ASP A 44 6.003 -11.723 -0.931 1.00 0.00 C ATOM 635 CG ASP A 44 6.267 -11.914 0.564 1.00 0.00 C ATOM 636 OD1 ASP A 44 6.933 -11.028 1.141 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.796 -12.943 1.096 1.00 0.00 O ATOM 0 H ASP A 44 5.881 -8.970 -1.448 1.00 0.00 H new ATOM 0 HA ASP A 44 7.986 -11.047 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.983 -11.362 -1.061 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.063 -12.694 -1.422 1.00 0.00 H new ATOM 642 N PRO A 45 7.592 -11.499 -3.873 1.00 0.00 N ATOM 643 CA PRO A 45 7.447 -11.640 -5.312 1.00 0.00 C ATOM 644 C PRO A 45 6.369 -12.670 -5.656 1.00 0.00 C ATOM 645 O PRO A 45 5.738 -12.585 -6.708 1.00 0.00 O ATOM 646 CB PRO A 45 8.827 -12.036 -5.810 1.00 0.00 C ATOM 647 CG PRO A 45 9.577 -12.553 -4.593 1.00 0.00 C ATOM 648 CD PRO A 45 8.795 -12.144 -3.355 1.00 0.00 C ATOM 0 HA PRO A 45 7.114 -10.720 -5.793 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.759 -12.803 -6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.342 -11.183 -6.253 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.679 -13.637 -4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.585 -12.139 -4.562 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.547 -13.009 -2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.372 -11.463 -2.730 1.00 0.00 H new ATOM 656 N HIS A 46 6.192 -13.619 -4.748 1.00 0.00 N ATOM 657 CA HIS A 46 5.202 -14.664 -4.942 1.00 0.00 C ATOM 658 C HIS A 46 3.937 -14.326 -4.150 1.00 0.00 C ATOM 659 O HIS A 46 3.193 -15.221 -3.752 1.00 0.00 O ATOM 660 CB HIS A 46 5.779 -16.034 -4.582 1.00 0.00 C ATOM 661 CG HIS A 46 7.269 -16.149 -4.799 1.00 0.00 C ATOM 662 ND1 HIS A 46 8.151 -16.489 -3.788 1.00 0.00 N ATOM 663 CD2 HIS A 46 8.023 -15.966 -5.921 1.00 0.00 C ATOM 664 CE1 HIS A 46 9.377 -16.506 -4.290 1.00 0.00 C ATOM 665 NE2 HIS A 46 9.295 -16.181 -5.612 1.00 0.00 N ATOM 0 H HIS A 46 6.718 -13.686 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 46 4.926 -14.717 -5.995 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.557 -16.247 -3.536 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.276 -16.796 -5.176 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.648 -15.692 -6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.282 -16.737 -3.748 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.082 -16.114 -6.257 1.00 0.00 H new ATOM 673 N CYS A 47 3.734 -13.033 -3.944 1.00 0.00 N ATOM 674 CA CYS A 47 2.572 -12.566 -3.207 1.00 0.00 C ATOM 675 C CYS A 47 1.316 -13.001 -3.964 1.00 0.00 C ATOM 676 O CYS A 47 1.083 -14.193 -4.156 1.00 0.00 O ATOM 677 CB CYS A 47 2.612 -11.053 -2.988 1.00 0.00 C ATOM 678 SG CYS A 47 3.022 -10.204 -4.556 1.00 0.00 S ATOM 0 H CYS A 47 4.355 -12.294 -4.275 1.00 0.00 H new ATOM 0 HA CYS A 47 2.567 -13.010 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.647 -10.705 -2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.353 -10.807 -2.227 1.00 0.00 H new ATOM 0 HG CYS A 47 4.313 -10.155 -4.698 1.00 0.00 H new ATOM 684 N SER A 48 0.538 -12.009 -4.373 1.00 0.00 N ATOM 685 CA SER A 48 -0.689 -12.273 -5.105 1.00 0.00 C ATOM 686 C SER A 48 -0.989 -11.116 -6.060 1.00 0.00 C ATOM 687 O SER A 48 -1.309 -11.336 -7.227 1.00 0.00 O ATOM 688 CB SER A 48 -1.864 -12.492 -4.150 1.00 0.00 C ATOM 689 OG SER A 48 -1.806 -11.620 -3.024 1.00 0.00 O ATOM 0 H SER A 48 0.734 -11.021 -4.211 1.00 0.00 H new ATOM 0 HA SER A 48 -0.552 -13.186 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.800 -12.332 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.865 -13.527 -3.808 1.00 0.00 H new ATOM 0 HG SER A 48 -2.574 -11.790 -2.439 1.00 0.00 H new ATOM 695 N ALA A 49 -0.874 -9.908 -5.528 1.00 0.00 N ATOM 696 CA ALA A 49 -1.129 -8.715 -6.318 1.00 0.00 C ATOM 697 C ALA A 49 -0.147 -8.666 -7.490 1.00 0.00 C ATOM 698 O ALA A 49 -0.550 -8.450 -8.633 1.00 0.00 O ATOM 699 CB ALA A 49 -1.030 -7.478 -5.422 1.00 0.00 C ATOM 0 H ALA A 49 -0.608 -9.730 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.137 -8.737 -6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.221 -6.583 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.767 -7.548 -4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.031 -7.421 -4.990 1.00 0.00 H new ATOM 705 N SER A 50 1.121 -8.870 -7.168 1.00 0.00 N ATOM 706 CA SER A 50 2.163 -8.852 -8.180 1.00 0.00 C ATOM 707 C SER A 50 1.890 -9.929 -9.232 1.00 0.00 C ATOM 708 O SER A 50 1.964 -9.663 -10.431 1.00 0.00 O ATOM 709 CB SER A 50 3.544 -9.060 -7.554 1.00 0.00 C ATOM 710 OG SER A 50 4.579 -8.475 -8.339 1.00 0.00 O ATOM 0 H SER A 50 1.451 -9.049 -6.220 1.00 0.00 H new ATOM 0 HA SER A 50 2.155 -7.873 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.558 -8.626 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.734 -10.127 -7.441 1.00 0.00 H new ATOM 0 HG SER A 50 4.568 -7.502 -8.222 1.00 0.00 H new ATOM 716 N LEU A 51 1.579 -11.121 -8.745 1.00 0.00 N ATOM 717 CA LEU A 51 1.295 -12.239 -9.628 1.00 0.00 C ATOM 718 C LEU A 51 0.132 -11.871 -10.552 1.00 0.00 C ATOM 719 O LEU A 51 0.011 -12.412 -11.650 1.00 0.00 O ATOM 720 CB LEU A 51 1.056 -13.515 -8.818 1.00 0.00 C ATOM 721 CG LEU A 51 2.232 -13.999 -7.967 1.00 0.00 C ATOM 722 CD1 LEU A 51 1.770 -15.017 -6.923 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.354 -14.551 -8.848 1.00 0.00 C ATOM 0 H LEU A 51 1.517 -11.337 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 51 2.155 -12.449 -10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.202 -13.350 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.779 -14.313 -9.507 1.00 0.00 H new ATOM 0 HG LEU A 51 2.638 -13.144 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.625 -15.345 -6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.031 -14.556 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.325 -15.876 -7.425 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.178 -14.888 -8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.978 -15.390 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.707 -13.769 -9.520 1.00 0.00 H new ATOM 735 N ALA A 52 -0.694 -10.952 -10.073 1.00 0.00 N ATOM 736 CA ALA A 52 -1.843 -10.505 -10.842 1.00 0.00 C ATOM 737 C ALA A 52 -1.359 -9.735 -12.073 1.00 0.00 C ATOM 738 O ALA A 52 -1.651 -10.119 -13.204 1.00 0.00 O ATOM 739 CB ALA A 52 -2.758 -9.663 -9.951 1.00 0.00 C ATOM 0 H ALA A 52 -0.590 -10.505 -9.162 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.424 -11.357 -11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.620 -9.328 -10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.098 -10.264 -9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.209 -8.797 -9.582 1.00 0.00 H new ATOM 745 N GLY A 53 -0.627 -8.662 -11.810 1.00 0.00 N ATOM 746 CA GLY A 53 -0.100 -7.835 -12.882 1.00 0.00 C ATOM 747 C GLY A 53 -0.005 -6.371 -12.448 1.00 0.00 C ATOM 748 O GLY A 53 -0.380 -5.471 -13.199 1.00 0.00 O ATOM 0 H GLY A 53 -0.387 -8.347 -10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.886 -8.196 -13.174 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.742 -7.917 -13.759 1.00 0.00 H new ATOM 752 N ALA A 54 0.500 -6.177 -11.239 1.00 0.00 N ATOM 753 CA ALA A 54 0.649 -4.837 -10.696 1.00 0.00 C ATOM 754 C ALA A 54 2.126 -4.439 -10.733 1.00 0.00 C ATOM 755 O ALA A 54 2.941 -5.119 -11.353 1.00 0.00 O ATOM 756 CB ALA A 54 0.068 -4.791 -9.282 1.00 0.00 C ATOM 0 H ALA A 54 0.811 -6.925 -10.620 1.00 0.00 H new ATOM 0 HA ALA A 54 0.097 -4.115 -11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.180 -3.786 -8.875 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.989 -5.054 -9.314 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.599 -5.501 -8.647 1.00 0.00 H new ATOM 762 N LYS A 55 2.426 -3.337 -10.060 1.00 0.00 N ATOM 763 CA LYS A 55 3.790 -2.840 -10.007 1.00 0.00 C ATOM 764 C LYS A 55 4.052 -2.228 -8.630 1.00 0.00 C ATOM 765 O LYS A 55 3.230 -2.353 -7.724 1.00 0.00 O ATOM 766 CB LYS A 55 4.055 -1.879 -11.168 1.00 0.00 C ATOM 767 CG LYS A 55 4.302 -2.646 -12.469 1.00 0.00 C ATOM 768 CD LYS A 55 5.160 -1.826 -13.434 1.00 0.00 C ATOM 769 CE LYS A 55 4.317 -1.281 -14.590 1.00 0.00 C ATOM 770 NZ LYS A 55 4.747 -1.883 -15.872 1.00 0.00 N ATOM 0 H LYS A 55 1.747 -2.775 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 55 4.499 -3.658 -10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.204 -1.210 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.920 -1.256 -10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.798 -3.592 -12.249 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.349 -2.888 -12.940 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.627 -0.999 -12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.965 -2.446 -13.827 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.264 -1.499 -14.414 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.414 -0.196 -14.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.166 -1.503 -16.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.747 -1.654 -16.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.631 -2.916 -15.827 1.00 0.00 H new ATOM 784 N GLU A 56 5.202 -1.579 -8.515 1.00 0.00 N ATOM 785 CA GLU A 56 5.583 -0.947 -7.264 1.00 0.00 C ATOM 786 C GLU A 56 5.141 0.518 -7.252 1.00 0.00 C ATOM 787 O GLU A 56 5.647 1.329 -8.026 1.00 0.00 O ATOM 788 CB GLU A 56 7.090 -1.066 -7.026 1.00 0.00 C ATOM 789 CG GLU A 56 7.435 -0.810 -5.557 1.00 0.00 C ATOM 790 CD GLU A 56 8.577 0.200 -5.431 1.00 0.00 C ATOM 791 OE1 GLU A 56 8.600 1.137 -6.258 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.401 0.012 -4.510 1.00 0.00 O ATOM 0 H GLU A 56 5.882 -1.478 -9.268 1.00 0.00 H new ATOM 0 HA GLU A 56 5.077 -1.466 -6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.430 -2.060 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.619 -0.352 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.555 -0.437 -5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.719 -1.747 -5.078 1.00 0.00 H new ATOM 799 N GLY A 57 4.200 0.812 -6.366 1.00 0.00 N ATOM 800 CA GLY A 57 3.684 2.164 -6.244 1.00 0.00 C ATOM 801 C GLY A 57 2.200 2.221 -6.613 1.00 0.00 C ATOM 802 O GLY A 57 1.605 3.296 -6.644 1.00 0.00 O ATOM 0 H GLY A 57 3.782 0.137 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.822 2.519 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.250 2.833 -6.893 1.00 0.00 H new ATOM 806 N ASP A 58 1.646 1.048 -6.885 1.00 0.00 N ATOM 807 CA ASP A 58 0.244 0.950 -7.252 1.00 0.00 C ATOM 808 C ASP A 58 -0.602 1.700 -6.220 1.00 0.00 C ATOM 809 O ASP A 58 -0.684 1.291 -5.064 1.00 0.00 O ATOM 810 CB ASP A 58 -0.220 -0.508 -7.273 1.00 0.00 C ATOM 811 CG ASP A 58 0.783 -1.497 -7.870 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.514 -1.076 -8.793 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.797 -2.651 -7.390 1.00 0.00 O ATOM 0 H ASP A 58 2.143 0.158 -6.858 1.00 0.00 H new ATOM 0 HA ASP A 58 0.125 1.381 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.448 -0.816 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.149 -0.570 -7.839 1.00 0.00 H new ATOM 818 N TYR A 59 -1.209 2.786 -6.677 1.00 0.00 N ATOM 819 CA TYR A 59 -2.046 3.596 -5.809 1.00 0.00 C ATOM 820 C TYR A 59 -3.492 3.098 -5.819 1.00 0.00 C ATOM 821 O TYR A 59 -4.263 3.438 -6.715 1.00 0.00 O ATOM 822 CB TYR A 59 -2.003 5.013 -6.385 1.00 0.00 C ATOM 823 CG TYR A 59 -0.619 5.664 -6.334 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.307 5.394 -7.321 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.297 6.521 -5.301 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.610 6.007 -7.273 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.005 7.133 -5.253 1.00 0.00 C ATOM 828 CZ TYR A 59 1.894 6.846 -6.241 1.00 0.00 C ATOM 829 OH TYR A 59 3.125 7.425 -6.196 1.00 0.00 O ATOM 0 H TYR A 59 -1.138 3.123 -7.637 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.688 3.551 -4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.341 4.984 -7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.708 5.638 -5.837 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.055 4.723 -8.129 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.022 6.732 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.344 5.805 -8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.270 7.805 -4.450 1.00 0.00 H new ATOM 0 HH TYR A 59 3.187 8.000 -5.405 1.00 0.00 H new ATOM 839 N ILE A 60 -3.817 2.300 -4.812 1.00 0.00 N ATOM 840 CA ILE A 60 -5.157 1.751 -4.694 1.00 0.00 C ATOM 841 C ILE A 60 -6.179 2.883 -4.816 1.00 0.00 C ATOM 842 O ILE A 60 -6.483 3.559 -3.834 1.00 0.00 O ATOM 843 CB ILE A 60 -5.291 0.938 -3.406 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.275 -0.205 -3.370 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.725 0.436 -3.221 1.00 0.00 C ATOM 846 CD1 ILE A 60 -3.344 -0.074 -2.163 1.00 0.00 C ATOM 0 H ILE A 60 -3.175 2.021 -4.070 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.356 1.052 -5.507 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.068 1.593 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.798 -1.160 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.688 -0.203 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.793 -0.139 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.404 1.287 -3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.000 -0.198 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.632 -0.899 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.804 0.871 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.932 -0.101 -1.245 1.00 0.00 H new ATOM 858 N VAL A 61 -6.682 3.055 -6.030 1.00 0.00 N ATOM 859 CA VAL A 61 -7.663 4.094 -6.293 1.00 0.00 C ATOM 860 C VAL A 61 -9.065 3.546 -6.017 1.00 0.00 C ATOM 861 O VAL A 61 -9.973 4.300 -5.672 1.00 0.00 O ATOM 862 CB VAL A 61 -7.498 4.621 -7.720 1.00 0.00 C ATOM 863 CG1 VAL A 61 -8.169 3.689 -8.730 1.00 0.00 C ATOM 864 CG2 VAL A 61 -8.041 6.046 -7.844 1.00 0.00 C ATOM 0 H VAL A 61 -6.428 2.492 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.508 4.943 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.432 4.648 -7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.037 4.087 -9.736 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.716 2.699 -8.669 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.233 3.615 -8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.912 6.397 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.101 6.055 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.498 6.703 -7.164 1.00 0.00 H new ATOM 874 N SER A 62 -9.197 2.238 -6.180 1.00 0.00 N ATOM 875 CA SER A 62 -10.473 1.580 -5.953 1.00 0.00 C ATOM 876 C SER A 62 -10.260 0.079 -5.754 1.00 0.00 C ATOM 877 O SER A 62 -9.173 -0.437 -6.013 1.00 0.00 O ATOM 878 CB SER A 62 -11.436 1.830 -7.116 1.00 0.00 C ATOM 879 OG SER A 62 -11.756 3.211 -7.256 1.00 0.00 O ATOM 0 H SER A 62 -8.441 1.616 -6.467 1.00 0.00 H new ATOM 0 HA SER A 62 -10.918 2.000 -5.051 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.990 1.466 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.351 1.260 -6.958 1.00 0.00 H new ATOM 0 HG SER A 62 -12.418 3.464 -6.579 1.00 0.00 H new ATOM 885 N ILE A 63 -11.313 -0.581 -5.295 1.00 0.00 N ATOM 886 CA ILE A 63 -11.255 -2.013 -5.058 1.00 0.00 C ATOM 887 C ILE A 63 -12.646 -2.617 -5.264 1.00 0.00 C ATOM 888 O ILE A 63 -13.547 -2.400 -4.456 1.00 0.00 O ATOM 889 CB ILE A 63 -10.656 -2.304 -3.681 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.241 -1.733 -3.566 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.697 -3.802 -3.370 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.611 -2.098 -2.220 1.00 0.00 C ATOM 0 H ILE A 63 -12.212 -0.150 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.590 -2.491 -5.777 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.267 -1.803 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.623 -2.117 -4.377 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.272 -0.649 -3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.265 -3.981 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.731 -4.148 -3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.124 -4.345 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.606 -1.680 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.219 -1.692 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.559 -3.183 -2.125 1.00 0.00 H new ATOM 904 N GLN A 64 -12.777 -3.363 -6.352 1.00 0.00 N ATOM 905 CA GLN A 64 -14.042 -3.999 -6.675 1.00 0.00 C ATOM 906 C GLN A 64 -15.034 -2.966 -7.214 1.00 0.00 C ATOM 907 O GLN A 64 -16.184 -3.295 -7.501 1.00 0.00 O ATOM 908 CB GLN A 64 -14.617 -4.726 -5.457 1.00 0.00 C ATOM 909 CG GLN A 64 -14.725 -6.230 -5.717 1.00 0.00 C ATOM 910 CD GLN A 64 -16.187 -6.680 -5.733 1.00 0.00 C ATOM 911 OE1 GLN A 64 -17.092 -5.949 -5.367 1.00 0.00 O ATOM 912 NE2 GLN A 64 -16.367 -7.921 -6.176 1.00 0.00 N ATOM 0 H GLN A 64 -12.027 -3.541 -7.020 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.864 -4.743 -7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.982 -4.548 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.601 -4.323 -5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.256 -6.472 -6.670 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.181 -6.776 -4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.565 -8.480 -6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -17.307 -8.314 -6.225 1.00 0.00 H new ATOM 921 N GLY A 65 -14.552 -1.738 -7.337 1.00 0.00 N ATOM 922 CA GLY A 65 -15.381 -0.655 -7.837 1.00 0.00 C ATOM 923 C GLY A 65 -15.689 0.356 -6.730 1.00 0.00 C ATOM 924 O GLY A 65 -16.578 1.193 -6.879 1.00 0.00 O ATOM 0 H GLY A 65 -13.597 -1.469 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.873 -0.154 -8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.312 -1.059 -8.235 1.00 0.00 H new ATOM 928 N VAL A 66 -14.937 0.245 -5.645 1.00 0.00 N ATOM 929 CA VAL A 66 -15.118 1.139 -4.515 1.00 0.00 C ATOM 930 C VAL A 66 -14.287 2.405 -4.733 1.00 0.00 C ATOM 931 O VAL A 66 -13.633 2.553 -5.764 1.00 0.00 O ATOM 932 CB VAL A 66 -14.771 0.413 -3.213 1.00 0.00 C ATOM 933 CG1 VAL A 66 -13.255 0.320 -3.025 1.00 0.00 C ATOM 934 CG2 VAL A 66 -15.431 1.094 -2.013 1.00 0.00 C ATOM 0 H VAL A 66 -14.201 -0.451 -5.525 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.161 1.445 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.164 -0.602 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -13.035 -0.200 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -12.818 -0.230 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -12.831 1.323 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.168 0.558 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -15.082 2.124 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.514 1.085 -2.140 1.00 0.00 H new ATOM 944 N ASP A 67 -14.340 3.287 -3.745 1.00 0.00 N ATOM 945 CA ASP A 67 -13.601 4.536 -3.816 1.00 0.00 C ATOM 946 C ASP A 67 -12.520 4.546 -2.734 1.00 0.00 C ATOM 947 O ASP A 67 -12.787 4.908 -1.589 1.00 0.00 O ATOM 948 CB ASP A 67 -14.521 5.735 -3.577 1.00 0.00 C ATOM 949 CG ASP A 67 -14.692 6.668 -4.777 1.00 0.00 C ATOM 950 OD1 ASP A 67 -13.852 7.584 -4.908 1.00 0.00 O ATOM 951 OD2 ASP A 67 -15.659 6.444 -5.537 1.00 0.00 O ATOM 0 H ASP A 67 -14.883 3.161 -2.891 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.162 4.612 -4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.503 5.367 -3.279 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.130 6.313 -2.740 1.00 0.00 H new ATOM 956 N CYS A 68 -11.323 4.145 -3.134 1.00 0.00 N ATOM 957 CA CYS A 68 -10.200 4.103 -2.212 1.00 0.00 C ATOM 958 C CYS A 68 -9.235 5.232 -2.580 1.00 0.00 C ATOM 959 O CYS A 68 -8.019 5.058 -2.518 1.00 0.00 O ATOM 960 CB CYS A 68 -9.511 2.737 -2.221 1.00 0.00 C ATOM 961 SG CYS A 68 -10.509 1.527 -1.278 1.00 0.00 S ATOM 0 H CYS A 68 -11.105 3.846 -4.085 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.557 4.249 -1.193 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.381 2.393 -3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.516 2.819 -1.784 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.917 0.370 -1.294 1.00 0.00 H new ATOM 967 N LYS A 69 -9.813 6.363 -2.955 1.00 0.00 N ATOM 968 CA LYS A 69 -9.019 7.520 -3.332 1.00 0.00 C ATOM 969 C LYS A 69 -8.887 8.457 -2.130 1.00 0.00 C ATOM 970 O LYS A 69 -8.010 9.320 -2.104 1.00 0.00 O ATOM 971 CB LYS A 69 -9.608 8.193 -4.574 1.00 0.00 C ATOM 972 CG LYS A 69 -8.501 8.676 -5.513 1.00 0.00 C ATOM 973 CD LYS A 69 -8.693 10.151 -5.873 1.00 0.00 C ATOM 974 CE LYS A 69 -9.889 10.336 -6.808 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.899 11.704 -7.373 1.00 0.00 N ATOM 0 H LYS A 69 -10.822 6.503 -3.006 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.011 7.215 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.255 7.491 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.230 9.037 -4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.530 8.537 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.501 8.073 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.844 10.734 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.791 10.533 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.845 9.604 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.815 10.154 -6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.717 11.812 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.964 12.398 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.023 11.864 -7.910 1.00 0.00 H new ATOM 989 N TRP A 70 -9.770 8.256 -1.163 1.00 0.00 N ATOM 990 CA TRP A 70 -9.763 9.072 0.039 1.00 0.00 C ATOM 991 C TRP A 70 -9.382 8.174 1.218 1.00 0.00 C ATOM 992 O TRP A 70 -8.623 8.584 2.095 1.00 0.00 O ATOM 993 CB TRP A 70 -11.108 9.774 0.233 1.00 0.00 C ATOM 994 CG TRP A 70 -11.630 10.478 -1.021 1.00 0.00 C ATOM 995 CD1 TRP A 70 -12.297 9.941 -2.052 1.00 0.00 C ATOM 996 CD2 TRP A 70 -11.498 11.880 -1.337 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.605 10.890 -3.005 1.00 0.00 N ATOM 998 CE2 TRP A 70 -12.103 12.107 -2.557 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.888 12.922 -0.617 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -12.157 13.368 -3.163 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -10.951 14.176 -1.236 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -11.556 14.421 -2.463 1.00 0.00 C ATOM 0 H TRP A 70 -10.495 7.539 -1.188 1.00 0.00 H new ATOM 0 HA TRP A 70 -9.027 9.871 -0.042 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.845 9.040 0.559 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -11.012 10.506 1.035 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.560 8.896 -2.127 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.108 10.729 -3.877 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -10.409 12.767 0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.636 13.520 -4.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.498 15.012 -0.724 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.562 15.419 -2.875 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.925 6.965 1.200 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.651 6.006 2.256 1.00 0.00 C ATOM 1015 C LEU A 71 -8.170 6.078 2.633 1.00 0.00 C ATOM 1016 O LEU A 71 -7.333 6.443 1.809 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.114 4.608 1.843 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.621 4.430 1.646 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.004 2.949 1.652 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.408 5.231 2.685 1.00 0.00 C ATOM 0 H LEU A 71 -10.553 6.628 0.470 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.220 6.253 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.612 4.341 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.781 3.898 2.600 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.887 4.826 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.080 2.851 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.483 2.435 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.722 2.504 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.476 5.087 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.144 4.888 3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.166 6.289 2.588 1.00 0.00 H new ATOM 1032 N THR A 72 -7.892 5.724 3.879 1.00 0.00 N ATOM 1033 CA THR A 72 -6.526 5.743 4.375 1.00 0.00 C ATOM 1034 C THR A 72 -5.884 4.363 4.224 1.00 0.00 C ATOM 1035 O THR A 72 -6.157 3.649 3.260 1.00 0.00 O ATOM 1036 CB THR A 72 -6.555 6.246 5.820 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.244 5.220 6.530 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.442 7.480 5.993 1.00 0.00 C ATOM 0 H THR A 72 -8.589 5.422 4.560 1.00 0.00 H new ATOM 0 HA THR A 72 -5.903 6.421 3.792 1.00 0.00 H new ATOM 0 HB THR A 72 -5.541 6.481 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.307 5.463 7.477 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.427 7.795 7.036 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.068 8.288 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.464 7.237 5.702 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.044 4.027 5.192 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.361 2.745 5.180 1.00 0.00 C ATOM 1048 C VAL A 73 -5.226 1.704 5.893 1.00 0.00 C ATOM 1049 O VAL A 73 -5.411 0.596 5.392 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.967 2.888 5.795 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.348 1.517 6.075 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -2.056 3.728 4.899 1.00 0.00 C ATOM 0 H VAL A 73 -4.821 4.621 5.990 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.215 2.400 4.156 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.073 3.409 6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.358 1.647 6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.982 0.967 6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.263 0.959 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.072 3.814 5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.960 3.248 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.486 4.722 4.773 1.00 0.00 H new ATOM 1062 N SER A 74 -5.733 2.097 7.053 1.00 0.00 N ATOM 1063 CA SER A 74 -6.574 1.212 7.841 1.00 0.00 C ATOM 1064 C SER A 74 -7.829 0.841 7.048 1.00 0.00 C ATOM 1065 O SER A 74 -8.145 -0.338 6.896 1.00 0.00 O ATOM 1066 CB SER A 74 -6.959 1.860 9.172 1.00 0.00 C ATOM 1067 OG SER A 74 -7.541 0.922 10.073 1.00 0.00 O ATOM 0 H SER A 74 -5.577 3.017 7.466 1.00 0.00 H new ATOM 0 HA SER A 74 -6.009 0.306 8.059 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.074 2.301 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.662 2.672 8.990 1.00 0.00 H new ATOM 0 HG SER A 74 -7.772 1.374 10.912 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.511 1.869 6.565 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.724 1.665 5.792 1.00 0.00 C ATOM 1075 C GLU A 75 -9.492 0.611 4.708 1.00 0.00 C ATOM 1076 O GLU A 75 -10.018 -0.498 4.793 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.213 2.980 5.183 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.086 3.753 6.174 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.387 5.031 6.640 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.322 5.973 5.821 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -9.934 5.038 7.804 1.00 0.00 O ATOM 0 H GLU A 75 -8.247 2.846 6.694 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.502 1.302 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.358 3.591 4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.781 2.775 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.038 4.005 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.311 3.123 7.034 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.704 0.994 3.714 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.396 0.095 2.615 1.00 0.00 C ATOM 1090 C VAL A 76 -8.116 -1.303 3.168 1.00 0.00 C ATOM 1091 O VAL A 76 -8.775 -2.269 2.786 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.236 0.656 1.790 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.769 -0.356 0.742 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.619 1.985 1.136 1.00 0.00 C ATOM 0 H VAL A 76 -8.270 1.914 3.647 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.247 0.012 1.939 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.404 0.845 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.944 0.068 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.436 -1.267 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.594 -0.591 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.776 2.361 0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.474 1.833 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.880 2.709 1.908 1.00 0.00 H new ATOM 1104 N MET A 77 -7.137 -1.367 4.058 1.00 0.00 N ATOM 1105 CA MET A 77 -6.761 -2.632 4.667 1.00 0.00 C ATOM 1106 C MET A 77 -7.992 -3.502 4.929 1.00 0.00 C ATOM 1107 O MET A 77 -8.010 -4.680 4.578 1.00 0.00 O ATOM 1108 CB MET A 77 -6.033 -2.366 5.987 1.00 0.00 C ATOM 1109 CG MET A 77 -4.519 -2.512 5.817 1.00 0.00 C ATOM 1110 SD MET A 77 -4.118 -4.183 5.334 1.00 0.00 S ATOM 1111 CE MET A 77 -2.617 -3.888 4.413 1.00 0.00 C ATOM 0 H MET A 77 -6.593 -0.564 4.372 1.00 0.00 H new ATOM 0 HA MET A 77 -6.103 -3.164 3.979 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.268 -1.362 6.340 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.386 -3.062 6.748 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.160 -1.811 5.064 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.014 -2.263 6.750 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.822 -3.976 3.346 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.248 -2.886 4.630 1.00 0.00 H new ATOM 0 HE3 MET A 77 -1.864 -4.622 4.700 1.00 0.00 H new ATOM 1121 N LYS A 78 -8.992 -2.886 5.545 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.224 -3.590 5.858 1.00 0.00 C ATOM 1123 C LYS A 78 -10.965 -3.913 4.559 1.00 0.00 C ATOM 1124 O LYS A 78 -11.444 -5.032 4.376 1.00 0.00 O ATOM 1125 CB LYS A 78 -11.058 -2.788 6.859 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.766 -3.230 8.294 1.00 0.00 C ATOM 1127 CD LYS A 78 -9.644 -2.390 8.909 1.00 0.00 C ATOM 1128 CE LYS A 78 -10.037 -1.883 10.298 1.00 0.00 C ATOM 1129 NZ LYS A 78 -8.878 -1.938 11.216 1.00 0.00 N ATOM 0 H LYS A 78 -8.973 -1.908 5.835 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.008 -4.540 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.840 -1.726 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.118 -2.920 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.668 -3.136 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.484 -4.283 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.735 -2.987 8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.420 -1.544 8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.404 -0.859 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.852 -2.488 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.207 -1.839 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.390 -2.850 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.220 -1.164 10.992 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.037 -2.915 3.691 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.712 -3.079 2.415 1.00 0.00 C ATOM 1145 C LEU A 79 -11.135 -4.297 1.691 1.00 0.00 C ATOM 1146 O LEU A 79 -11.839 -4.965 0.935 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.639 -1.787 1.600 1.00 0.00 C ATOM 1148 CG LEU A 79 -12.913 -1.394 0.850 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.283 0.065 1.124 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -12.779 -1.679 -0.647 1.00 0.00 C ATOM 0 H LEU A 79 -10.639 -1.989 3.846 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.774 -3.272 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.371 -0.972 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.830 -1.883 0.876 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.732 -2.010 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.192 0.318 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.450 0.204 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.471 0.714 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.699 -1.390 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.945 -1.107 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.598 -2.743 -0.800 1.00 0.00 H new ATOM 1162 N LEU A 80 -9.860 -4.549 1.948 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.180 -5.675 1.331 1.00 0.00 C ATOM 1164 C LEU A 80 -9.473 -6.945 2.133 1.00 0.00 C ATOM 1165 O LEU A 80 -9.775 -7.990 1.559 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.688 -5.378 1.172 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.229 -4.979 -0.232 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -5.767 -4.530 -0.225 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.476 -6.111 -1.232 1.00 0.00 C ATOM 0 H LEU A 80 -9.280 -3.992 2.576 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.557 -5.841 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.422 -4.576 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.127 -6.261 1.479 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.826 -4.126 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.467 -4.252 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.653 -3.671 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.137 -5.346 0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.141 -5.801 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.922 -6.997 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.541 -6.341 -1.265 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.372 -6.812 3.447 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.622 -7.936 4.334 1.00 0.00 C ATOM 1183 C LYS A 81 -11.029 -8.480 4.076 1.00 0.00 C ATOM 1184 O LYS A 81 -11.210 -9.683 3.895 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.375 -7.535 5.789 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.883 -7.323 6.054 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.659 -6.589 7.377 1.00 0.00 C ATOM 1188 CE LYS A 81 -6.249 -6.000 7.446 1.00 0.00 C ATOM 1189 NZ LYS A 81 -6.110 -5.124 8.631 1.00 0.00 N ATOM 0 H LYS A 81 -9.121 -5.944 3.919 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.923 -8.747 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.922 -6.620 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.760 -8.309 6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.374 -8.287 6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.443 -6.750 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.395 -5.792 7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.811 -7.277 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.515 -6.804 7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.041 -5.431 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.147 -4.733 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.798 -4.346 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.287 -5.677 9.494 1.00 0.00 H new ATOM 1203 N SER A 82 -11.990 -7.567 4.069 1.00 0.00 N ATOM 1204 CA SER A 82 -13.375 -7.940 3.837 1.00 0.00 C ATOM 1205 C SER A 82 -13.471 -8.864 2.621 1.00 0.00 C ATOM 1206 O SER A 82 -14.292 -9.779 2.596 1.00 0.00 O ATOM 1207 CB SER A 82 -14.252 -6.703 3.635 1.00 0.00 C ATOM 1208 OG SER A 82 -15.640 -7.011 3.735 1.00 0.00 O ATOM 0 H SER A 82 -11.836 -6.570 4.220 1.00 0.00 H new ATOM 0 HA SER A 82 -13.739 -8.470 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.993 -5.950 4.379 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.046 -6.269 2.657 1.00 0.00 H new ATOM 0 HG SER A 82 -16.167 -6.195 3.602 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.621 -8.591 1.642 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.600 -9.386 0.426 1.00 0.00 C ATOM 1216 C PHE A 83 -11.460 -10.407 0.457 1.00 0.00 C ATOM 1217 O PHE A 83 -10.804 -10.642 -0.557 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.370 -8.419 -0.737 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.434 -7.325 -0.855 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.741 -7.621 -0.628 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.071 -6.058 -1.188 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.728 -6.606 -0.738 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.058 -5.042 -1.298 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.366 -5.338 -1.071 1.00 0.00 C ATOM 0 H PHE A 83 -11.942 -7.830 1.666 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.538 -9.932 0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.393 -7.950 -0.619 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.341 -8.986 -1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.029 -8.628 -0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -12.032 -5.824 -1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.766 -6.841 -0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.770 -4.035 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.117 -4.566 -1.155 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.258 -10.985 1.632 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.209 -11.974 1.809 1.00 0.00 C ATOM 1236 C GLY A 84 -10.584 -13.297 1.138 1.00 0.00 C ATOM 1237 O GLY A 84 -11.668 -13.830 1.370 1.00 0.00 O ATOM 0 H GLY A 84 -11.803 -10.787 2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.276 -11.600 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.035 -12.138 2.872 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.666 -13.790 0.319 1.00 0.00 N ATOM 1242 CA GLY A 85 -9.887 -15.040 -0.387 1.00 0.00 C ATOM 1243 C GLY A 85 -11.038 -14.910 -1.386 1.00 0.00 C ATOM 1244 O GLY A 85 -11.721 -15.889 -1.682 1.00 0.00 O ATOM 0 H GLY A 85 -8.768 -13.346 0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.977 -15.331 -0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.110 -15.831 0.329 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.219 -13.692 -1.877 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.276 -13.422 -2.836 1.00 0.00 C ATOM 1250 C GLU A 86 -11.737 -12.582 -3.996 1.00 0.00 C ATOM 1251 O GLU A 86 -11.206 -11.493 -3.785 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.463 -12.729 -2.163 1.00 0.00 C ATOM 1253 CG GLU A 86 -13.983 -13.555 -0.985 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.505 -13.442 -0.866 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -15.971 -12.314 -0.598 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.167 -14.487 -1.047 1.00 0.00 O ATOM 0 H GLU A 86 -10.651 -12.882 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.631 -14.373 -3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.162 -11.741 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.262 -12.581 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.701 -14.600 -1.116 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.516 -13.213 -0.062 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.894 -13.121 -5.197 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.430 -12.436 -6.391 1.00 0.00 C ATOM 1265 C GLU A 87 -12.075 -11.052 -6.493 1.00 0.00 C ATOM 1266 O GLU A 87 -13.292 -10.939 -6.628 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.713 -13.266 -7.645 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.471 -13.355 -8.535 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.561 -14.553 -9.482 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -11.182 -15.556 -9.070 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.006 -14.438 -10.596 1.00 0.00 O ATOM 0 H GLU A 87 -12.336 -14.024 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.350 -12.308 -6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -12.032 -14.268 -7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.534 -12.818 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.367 -12.437 -9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.580 -13.444 -7.914 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.230 -10.034 -6.424 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.702 -8.662 -6.507 1.00 0.00 C ATOM 1280 C VAL A 88 -10.950 -7.935 -7.623 1.00 0.00 C ATOM 1281 O VAL A 88 -9.930 -8.421 -8.109 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.561 -7.977 -5.146 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -12.269 -8.779 -4.052 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -10.088 -7.753 -4.795 1.00 0.00 C ATOM 0 H VAL A 88 -10.221 -10.132 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.762 -8.637 -6.760 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.043 -7.001 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.153 -8.270 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.329 -8.864 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.830 -9.775 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.016 -7.265 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.573 -8.713 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.625 -7.122 -5.553 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.483 -6.781 -7.998 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.875 -5.982 -9.049 1.00 0.00 C ATOM 1296 C GLU A 89 -10.275 -4.703 -8.462 1.00 0.00 C ATOM 1297 O GLU A 89 -10.995 -3.743 -8.191 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.889 -5.659 -10.148 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.276 -5.860 -11.535 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.338 -5.721 -12.629 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.295 -6.524 -12.596 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.167 -4.814 -13.472 1.00 0.00 O ATOM 0 H GLU A 89 -12.329 -6.380 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.071 -6.562 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.766 -6.297 -10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.229 -4.629 -10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.484 -5.128 -11.696 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.815 -6.846 -11.594 1.00 0.00 H new ATOM 1309 N MET A 90 -8.963 -4.731 -8.283 1.00 0.00 N ATOM 1310 CA MET A 90 -8.258 -3.585 -7.734 1.00 0.00 C ATOM 1311 C MET A 90 -7.765 -2.658 -8.848 1.00 0.00 C ATOM 1312 O MET A 90 -7.159 -3.114 -9.816 1.00 0.00 O ATOM 1313 CB MET A 90 -7.065 -4.068 -6.907 1.00 0.00 C ATOM 1314 CG MET A 90 -6.383 -2.899 -6.193 1.00 0.00 C ATOM 1315 SD MET A 90 -5.186 -3.513 -5.021 1.00 0.00 S ATOM 1316 CE MET A 90 -4.271 -4.631 -6.069 1.00 0.00 C ATOM 0 H MET A 90 -8.369 -5.529 -8.508 1.00 0.00 H new ATOM 0 HA MET A 90 -8.948 -3.027 -7.102 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.400 -4.801 -6.173 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.348 -4.571 -7.556 1.00 0.00 H new ATOM 0 HG2 MET A 90 -5.893 -2.254 -6.922 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.128 -2.291 -5.680 1.00 0.00 H new ATOM 0 HE1 MET A 90 -4.000 -5.522 -5.502 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.887 -4.917 -6.922 1.00 0.00 H new ATOM 0 HE3 MET A 90 -3.366 -4.138 -6.424 1.00 0.00 H new ATOM 1326 N LYS A 91 -8.044 -1.375 -8.673 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.637 -0.381 -9.651 1.00 0.00 C ATOM 1328 C LYS A 91 -6.555 0.513 -9.043 1.00 0.00 C ATOM 1329 O LYS A 91 -6.665 0.932 -7.891 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.853 0.391 -10.168 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.426 -0.267 -11.426 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.954 -0.307 -11.376 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.464 -1.749 -11.350 1.00 0.00 C ATOM 1334 NZ LYS A 91 -12.499 -1.951 -12.389 1.00 0.00 N ATOM 0 H LYS A 91 -8.547 -1.001 -7.868 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.199 -0.863 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.619 0.431 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.568 1.420 -10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.102 0.284 -12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.035 -1.280 -11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.306 0.223 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.364 0.212 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.635 -2.437 -11.515 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.877 -1.977 -10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -12.441 -2.924 -12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.440 -1.790 -11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.343 -1.281 -13.169 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.534 0.780 -9.844 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.432 1.616 -9.399 1.00 0.00 C ATOM 1350 C VAL A 92 -4.027 2.563 -10.531 1.00 0.00 C ATOM 1351 O VAL A 92 -4.010 2.171 -11.696 1.00 0.00 O ATOM 1352 CB VAL A 92 -3.276 0.742 -8.907 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.687 -0.068 -7.676 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.769 -0.174 -10.023 1.00 0.00 C ATOM 0 H VAL A 92 -5.447 0.432 -10.799 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.737 2.232 -8.553 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.457 1.400 -8.616 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.848 -0.680 -7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.978 0.611 -6.874 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.529 -0.712 -7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.948 -0.785 -9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.579 -0.822 -10.358 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.419 0.431 -10.859 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.710 3.791 -10.147 1.00 0.00 N ATOM 1365 CA VAL A 93 -3.306 4.796 -11.115 1.00 0.00 C ATOM 1366 C VAL A 93 -1.875 5.243 -10.812 1.00 0.00 C ATOM 1367 O VAL A 93 -1.485 5.345 -9.650 1.00 0.00 O ATOM 1368 CB VAL A 93 -4.307 5.954 -11.116 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -5.495 5.650 -12.032 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.776 6.274 -9.696 1.00 0.00 C ATOM 0 H VAL A 93 -3.725 4.112 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.310 4.380 -12.122 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.800 6.836 -11.507 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.191 6.488 -12.015 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.139 5.495 -13.050 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.002 4.750 -11.684 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.486 7.100 -9.725 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.258 5.396 -9.265 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.919 6.554 -9.084 1.00 0.00 H new ATOM 1380 N SER A 94 -1.130 5.499 -11.878 1.00 0.00 N ATOM 1381 CA SER A 94 0.250 5.933 -11.741 1.00 0.00 C ATOM 1382 C SER A 94 0.305 7.451 -11.556 1.00 0.00 C ATOM 1383 O SER A 94 -0.403 8.189 -12.240 1.00 0.00 O ATOM 1384 CB SER A 94 1.082 5.515 -12.954 1.00 0.00 C ATOM 1385 OG SER A 94 0.533 4.377 -13.612 1.00 0.00 O ATOM 0 H SER A 94 -1.456 5.414 -12.841 1.00 0.00 H new ATOM 0 HA SER A 94 0.675 5.451 -10.861 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.141 6.346 -13.657 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.101 5.293 -12.636 1.00 0.00 H new ATOM 0 HG SER A 94 1.092 4.143 -14.382 1.00 0.00 H new ATOM 1391 N LEU A 95 1.153 7.872 -10.629 1.00 0.00 N ATOM 1392 CA LEU A 95 1.309 9.288 -10.346 1.00 0.00 C ATOM 1393 C LEU A 95 2.082 9.950 -11.489 1.00 0.00 C ATOM 1394 O LEU A 95 3.297 9.789 -11.596 1.00 0.00 O ATOM 1395 CB LEU A 95 1.950 9.493 -8.972 1.00 0.00 C ATOM 1396 CG LEU A 95 1.292 10.544 -8.075 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.242 10.070 -6.621 1.00 0.00 C ATOM 1398 CD2 LEU A 95 1.992 11.897 -8.213 1.00 0.00 C ATOM 0 H LEU A 95 1.739 7.257 -10.064 1.00 0.00 H new ATOM 0 HA LEU A 95 0.335 9.775 -10.294 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.945 8.539 -8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.994 9.771 -9.118 1.00 0.00 H new ATOM 0 HG LEU A 95 0.262 10.679 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.770 10.835 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.665 9.147 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.255 9.889 -6.262 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.505 12.626 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.038 11.797 -7.924 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.932 12.234 -9.248 1.00 0.00 H new ATOM 1410 N LEU A 96 1.346 10.680 -12.314 1.00 0.00 N ATOM 1411 CA LEU A 96 1.947 11.366 -13.445 1.00 0.00 C ATOM 1412 C LEU A 96 2.696 12.604 -12.946 1.00 0.00 C ATOM 1413 O LEU A 96 2.936 12.747 -11.748 1.00 0.00 O ATOM 1414 CB LEU A 96 0.891 11.674 -14.508 1.00 0.00 C ATOM 1415 CG LEU A 96 0.911 10.782 -15.751 1.00 0.00 C ATOM 1416 CD1 LEU A 96 0.909 9.302 -15.364 1.00 0.00 C ATOM 1417 CD2 LEU A 96 -0.243 11.130 -16.694 1.00 0.00 C ATOM 0 H LEU A 96 0.339 10.811 -12.222 1.00 0.00 H new ATOM 0 HA LEU A 96 2.680 10.724 -13.934 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.094 11.598 -14.046 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.015 12.709 -14.826 1.00 0.00 H new ATOM 0 HG LEU A 96 1.838 10.971 -16.293 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.923 8.690 -16.266 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.791 9.082 -14.762 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.011 9.078 -14.788 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.206 10.482 -17.569 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.192 10.987 -16.176 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.155 12.170 -17.009 1.00 0.00 H new