USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 866 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 51 MET CE :methyl -129:sc= -0.999 (180deg=-4.12!) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -160:sc= -1.87 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc=-0.00541 K(o=-0.0054,f=-0.61) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.097) USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0905) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0122 K(o=-0.012,f=-3.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.24! C(o=-2.2!,f=-9.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -34:sc= 0.00682 USER MOD Single : A 52 SER OG : rot 27:sc= 0.177 USER MOD Single : A 59 ASN : amide:sc= -5.82! C(o=-5.8!,f=-11!) USER MOD Single : A 70 MET CE :methyl 167:sc= -2.46 (180deg=-2.77) USER MOD Single : A 80 ASN : amide:sc= -2.09! K(o=-2.1!,f=-1.5) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 82 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.11) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.753 X(o=-0.75,f=-0.78) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 91 ASN : amide:sc= -0.482 K(o=-0.48,f=-1.9!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -25:sc= 1.12 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 147:sc= -1.41 (180deg=-3.19!) USER MOD Single : A 110 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.1!) USER MOD Single : A 115 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.94) USER MOD Single : A 116 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.38) USER MOD Single : A 117 MET CE :methyl -122:sc= -3.05 (180deg=-9.38!) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.867 -11.595 11.478 1.00 0.00 N ATOM 89 CA PHE A 10 1.343 -10.395 10.836 1.00 0.00 C ATOM 90 C PHE A 10 1.431 -9.194 11.774 1.00 0.00 C ATOM 91 O PHE A 10 0.872 -8.133 11.496 1.00 0.00 O ATOM 92 CB PHE A 10 -0.109 -10.614 10.405 1.00 0.00 C ATOM 93 CG PHE A 10 -0.251 -11.533 9.225 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.240 -11.031 7.934 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.396 -12.899 9.408 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.371 -11.874 6.847 1.00 0.00 C ATOM 97 CE2 PHE A 10 -0.528 -13.747 8.324 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.515 -13.234 7.042 1.00 0.00 C ATOM 0 HA PHE A 10 1.950 -10.191 9.954 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.671 -11.024 11.244 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.557 -9.651 10.161 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.128 -9.969 7.775 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.406 -13.306 10.408 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.361 -11.470 5.846 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.641 -14.810 8.480 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.617 -13.895 6.194 1.00 0.00 H new ATOM 108 N THR A 11 2.137 -9.370 12.886 1.00 0.00 N ATOM 109 CA THR A 11 2.298 -8.303 13.866 1.00 0.00 C ATOM 110 C THR A 11 3.319 -7.274 13.396 1.00 0.00 C ATOM 111 O THR A 11 4.325 -7.622 12.776 1.00 0.00 O ATOM 112 CB THR A 11 2.737 -8.858 15.234 1.00 0.00 C ATOM 113 OG1 THR A 11 3.993 -9.534 15.108 1.00 0.00 O ATOM 114 CG2 THR A 11 1.694 -9.816 15.790 1.00 0.00 C ATOM 0 H THR A 11 2.607 -10.242 13.131 1.00 0.00 H new ATOM 0 HA THR A 11 1.325 -7.823 13.973 1.00 0.00 H new ATOM 0 HB THR A 11 2.843 -8.021 15.924 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.115 -10.141 15.867 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.026 -10.195 16.756 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.746 -9.291 15.912 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.561 -10.649 15.100 1.00 0.00 H new ATOM 122 N ASP A 12 3.056 -6.007 13.695 1.00 0.00 N ATOM 123 CA ASP A 12 3.954 -4.927 13.304 1.00 0.00 C ATOM 124 C ASP A 12 5.411 -5.334 13.500 1.00 0.00 C ATOM 125 O ASP A 12 6.260 -5.062 12.652 1.00 0.00 O ATOM 126 CB ASP A 12 3.651 -3.665 14.113 1.00 0.00 C ATOM 127 CG ASP A 12 2.177 -3.525 14.438 1.00 0.00 C ATOM 128 OD1 ASP A 12 1.729 -4.132 15.432 1.00 0.00 O ATOM 129 OD2 ASP A 12 1.471 -2.810 13.696 1.00 0.00 O ATOM 0 H ASP A 12 2.228 -5.702 14.207 1.00 0.00 H new ATOM 0 HA ASP A 12 3.793 -4.719 12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.224 -3.685 15.040 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.981 -2.790 13.553 1.00 0.00 H new ATOM 134 N GLN A 13 5.692 -5.985 14.624 1.00 0.00 N ATOM 135 CA GLN A 13 7.047 -6.428 14.931 1.00 0.00 C ATOM 136 C GLN A 13 7.579 -7.352 13.841 1.00 0.00 C ATOM 137 O GLN A 13 8.753 -7.290 13.477 1.00 0.00 O ATOM 138 CB GLN A 13 7.078 -7.143 16.283 1.00 0.00 C ATOM 139 CG GLN A 13 6.034 -8.240 16.415 1.00 0.00 C ATOM 140 CD GLN A 13 6.117 -8.968 17.742 1.00 0.00 C ATOM 141 OE1 GLN A 13 6.713 -10.042 17.839 1.00 0.00 O ATOM 142 NE2 GLN A 13 5.518 -8.387 18.775 1.00 0.00 N ATOM 0 H GLN A 13 5.000 -6.217 15.337 1.00 0.00 H new ATOM 0 HA GLN A 13 7.688 -5.547 14.979 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.068 -7.575 16.434 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.926 -6.410 17.076 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.040 -7.806 16.305 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.161 -8.956 15.603 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.035 -7.497 18.650 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.540 -8.831 19.693 1.00 0.00 H new ATOM 151 N LYS A 14 6.706 -8.210 13.323 1.00 0.00 N ATOM 152 CA LYS A 14 7.086 -9.148 12.273 1.00 0.00 C ATOM 153 C LYS A 14 7.076 -8.469 10.907 1.00 0.00 C ATOM 154 O LYS A 14 7.873 -8.806 10.030 1.00 0.00 O ATOM 155 CB LYS A 14 6.137 -10.348 12.265 1.00 0.00 C ATOM 156 CG LYS A 14 6.419 -11.355 13.366 1.00 0.00 C ATOM 157 CD LYS A 14 7.691 -12.139 13.092 1.00 0.00 C ATOM 158 CE LYS A 14 8.175 -12.869 14.336 1.00 0.00 C ATOM 159 NZ LYS A 14 9.495 -13.523 14.118 1.00 0.00 N ATOM 0 H LYS A 14 5.730 -8.275 13.613 1.00 0.00 H new ATOM 0 HA LYS A 14 8.099 -9.495 12.479 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.112 -9.990 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.207 -10.849 11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.509 -10.836 14.320 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.578 -12.043 13.455 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.511 -12.859 12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.469 -11.461 12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.251 -12.164 15.164 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.441 -13.621 14.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.789 -14.009 14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.416 -14.214 13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.202 -12.803 13.868 1.00 0.00 H new ATOM 173 N ILE A 15 6.172 -7.511 10.734 1.00 0.00 N ATOM 174 CA ILE A 15 6.062 -6.783 9.476 1.00 0.00 C ATOM 175 C ILE A 15 7.299 -5.927 9.226 1.00 0.00 C ATOM 176 O ILE A 15 7.847 -5.918 8.124 1.00 0.00 O ATOM 177 CB ILE A 15 4.814 -5.881 9.455 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.550 -6.716 9.673 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.732 -5.121 8.140 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.311 -5.884 9.920 1.00 0.00 C ATOM 0 H ILE A 15 5.505 -7.221 11.449 1.00 0.00 H new ATOM 0 HA ILE A 15 5.974 -7.529 8.686 1.00 0.00 H new ATOM 0 HB ILE A 15 4.893 -5.158 10.266 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.386 -7.347 8.799 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.706 -7.382 10.522 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.845 -4.488 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.620 -4.501 8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.672 -5.829 7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.454 -6.542 10.066 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.455 -5.273 10.811 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.130 -5.237 9.061 1.00 0.00 H new ATOM 192 N ARG A 16 7.733 -5.210 10.257 1.00 0.00 N ATOM 193 CA ARG A 16 8.906 -4.350 10.149 1.00 0.00 C ATOM 194 C ARG A 16 10.167 -5.178 9.919 1.00 0.00 C ATOM 195 O ARG A 16 11.023 -4.810 9.115 1.00 0.00 O ATOM 196 CB ARG A 16 9.063 -3.505 11.414 1.00 0.00 C ATOM 197 CG ARG A 16 9.501 -4.303 12.631 1.00 0.00 C ATOM 198 CD ARG A 16 9.321 -3.508 13.914 1.00 0.00 C ATOM 199 NE ARG A 16 9.973 -4.149 15.052 1.00 0.00 N ATOM 200 CZ ARG A 16 10.019 -3.618 16.269 1.00 0.00 C ATOM 201 NH1 ARG A 16 9.453 -2.442 16.504 1.00 0.00 N ATOM 202 NH2 ARG A 16 10.631 -4.263 17.253 1.00 0.00 N ATOM 0 H ARG A 16 7.291 -5.207 11.176 1.00 0.00 H new ATOM 0 HA ARG A 16 8.764 -3.689 9.294 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.792 -2.717 11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.114 -3.016 11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.923 -5.225 12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.547 -4.589 12.523 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.729 -2.506 13.780 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.257 -3.394 14.123 1.00 0.00 H new ATOM 0 HE ARG A 16 10.418 -5.055 14.905 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.981 -1.943 15.750 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.489 -2.036 17.439 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.067 -5.168 17.076 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.666 -3.854 18.187 1.00 0.00 H new ATOM 216 N GLN A 17 10.274 -6.296 10.630 1.00 0.00 N ATOM 217 CA GLN A 17 11.431 -7.174 10.503 1.00 0.00 C ATOM 218 C GLN A 17 11.395 -7.934 9.181 1.00 0.00 C ATOM 219 O GLN A 17 12.436 -8.212 8.585 1.00 0.00 O ATOM 220 CB GLN A 17 11.479 -8.160 11.671 1.00 0.00 C ATOM 221 CG GLN A 17 12.254 -7.643 12.872 1.00 0.00 C ATOM 222 CD GLN A 17 12.773 -8.760 13.757 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.285 -9.889 13.702 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.767 -8.450 14.580 1.00 0.00 N ATOM 0 H GLN A 17 9.574 -6.615 11.300 1.00 0.00 H new ATOM 0 HA GLN A 17 12.329 -6.556 10.521 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.460 -8.394 11.980 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.931 -9.092 11.331 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.093 -7.039 12.526 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.611 -6.988 13.460 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.142 -7.501 14.593 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.156 -9.160 15.200 1.00 0.00 H new ATOM 233 N ARG A 18 10.191 -8.268 8.729 1.00 0.00 N ATOM 234 CA ARG A 18 10.019 -8.998 7.478 1.00 0.00 C ATOM 235 C ARG A 18 10.389 -8.124 6.284 1.00 0.00 C ATOM 236 O ARG A 18 11.021 -8.587 5.334 1.00 0.00 O ATOM 237 CB ARG A 18 8.575 -9.484 7.340 1.00 0.00 C ATOM 238 CG ARG A 18 8.273 -10.118 5.993 1.00 0.00 C ATOM 239 CD ARG A 18 7.059 -11.031 6.067 1.00 0.00 C ATOM 240 NE ARG A 18 7.292 -12.182 6.934 1.00 0.00 N ATOM 241 CZ ARG A 18 6.589 -13.307 6.866 1.00 0.00 C ATOM 242 NH1 ARG A 18 5.614 -13.431 5.977 1.00 0.00 N ATOM 243 NH2 ARG A 18 6.861 -14.312 7.690 1.00 0.00 N ATOM 0 H ARG A 18 9.320 -8.045 9.210 1.00 0.00 H new ATOM 0 HA ARG A 18 10.685 -9.861 7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.367 -10.208 8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.901 -8.642 7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.098 -9.337 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.139 -10.688 5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.203 -10.466 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.804 -11.377 5.065 1.00 0.00 H new ATOM 0 HE ARG A 18 8.035 -12.119 7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.402 -12.661 5.342 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.076 -14.296 5.927 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.610 -14.221 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.321 -15.175 7.637 1.00 0.00 H new ATOM 257 N TYR A 19 9.992 -6.857 6.338 1.00 0.00 N ATOM 258 CA TYR A 19 10.279 -5.919 5.260 1.00 0.00 C ATOM 259 C TYR A 19 11.396 -4.959 5.656 1.00 0.00 C ATOM 260 O TYR A 19 11.615 -3.940 5.002 1.00 0.00 O ATOM 261 CB TYR A 19 9.020 -5.131 4.893 1.00 0.00 C ATOM 262 CG TYR A 19 7.898 -5.994 4.363 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.001 -6.622 3.129 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.733 -6.181 5.098 1.00 0.00 C ATOM 265 CE1 TYR A 19 6.978 -7.411 2.640 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.705 -6.970 4.618 1.00 0.00 C ATOM 267 CZ TYR A 19 5.832 -7.582 3.389 1.00 0.00 C ATOM 268 OH TYR A 19 4.811 -8.368 2.907 1.00 0.00 O ATOM 0 H TYR A 19 9.470 -6.456 7.118 1.00 0.00 H new ATOM 0 HA TYR A 19 10.607 -6.491 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.669 -4.593 5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.276 -4.382 4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.897 -6.491 2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.630 -5.702 6.060 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.075 -7.891 1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.807 -7.107 5.202 1.00 0.00 H new ATOM 0 HH TYR A 19 4.077 -8.385 3.556 1.00 0.00 H new ATOM 278 N ALA A 20 12.102 -5.294 6.731 1.00 0.00 N ATOM 279 CA ALA A 20 13.199 -4.465 7.214 1.00 0.00 C ATOM 280 C ALA A 20 14.366 -4.473 6.233 1.00 0.00 C ATOM 281 O ALA A 20 15.235 -3.601 6.280 1.00 0.00 O ATOM 282 CB ALA A 20 13.657 -4.941 8.585 1.00 0.00 C ATOM 0 H ALA A 20 11.933 -6.134 7.284 1.00 0.00 H new ATOM 0 HA ALA A 20 12.837 -3.441 7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.477 -4.313 8.933 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.827 -4.877 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.996 -5.975 8.517 1.00 0.00 H new ATOM 288 N ASP A 21 14.380 -5.461 5.345 1.00 0.00 N ATOM 289 CA ASP A 21 15.441 -5.581 4.352 1.00 0.00 C ATOM 290 C ASP A 21 15.295 -4.517 3.269 1.00 0.00 C ATOM 291 O ASP A 21 16.282 -4.075 2.680 1.00 0.00 O ATOM 292 CB ASP A 21 15.422 -6.975 3.721 1.00 0.00 C ATOM 293 CG ASP A 21 15.769 -8.065 4.715 1.00 0.00 C ATOM 294 OD1 ASP A 21 16.817 -7.946 5.383 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.994 -9.038 4.824 1.00 0.00 O ATOM 0 H ASP A 21 13.669 -6.190 5.293 1.00 0.00 H new ATOM 0 HA ASP A 21 16.396 -5.431 4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.434 -7.169 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.129 -7.005 2.892 1.00 0.00 H new ATOM 300 N LEU A 22 14.057 -4.109 3.011 1.00 0.00 N ATOM 301 CA LEU A 22 13.781 -3.097 1.997 1.00 0.00 C ATOM 302 C LEU A 22 14.591 -1.831 2.258 1.00 0.00 C ATOM 303 O LEU A 22 14.935 -1.507 3.395 1.00 0.00 O ATOM 304 CB LEU A 22 12.288 -2.765 1.974 1.00 0.00 C ATOM 305 CG LEU A 22 11.335 -3.960 1.940 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.895 -3.492 1.795 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.706 -4.907 0.808 1.00 0.00 C ATOM 0 H LEU A 22 13.229 -4.463 3.490 1.00 0.00 H new ATOM 0 HA LEU A 22 14.073 -3.500 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.056 -2.166 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.088 -2.142 1.102 1.00 0.00 H new ATOM 0 HG LEU A 22 11.427 -4.499 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.232 -4.357 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.633 -2.855 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.787 -2.928 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.017 -5.751 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.644 -4.379 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.723 -5.270 0.956 1.00 0.00 H new ATOM 319 N PRO A 23 14.901 -1.095 1.180 1.00 0.00 N ATOM 320 CA PRO A 23 15.672 0.149 1.267 1.00 0.00 C ATOM 321 C PRO A 23 14.884 1.274 1.930 1.00 0.00 C ATOM 322 O PRO A 23 15.376 1.935 2.844 1.00 0.00 O ATOM 323 CB PRO A 23 15.962 0.490 -0.197 1.00 0.00 C ATOM 324 CG PRO A 23 14.865 -0.167 -0.963 1.00 0.00 C ATOM 325 CD PRO A 23 14.524 -1.420 -0.205 1.00 0.00 C ATOM 0 HA PRO A 23 16.568 0.032 1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.968 1.568 -0.359 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.939 0.116 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.998 0.489 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.184 -0.400 -1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.465 -1.663 -0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.078 -2.280 -0.581 1.00 0.00 H new ATOM 333 N GLY A 24 13.657 1.487 1.462 1.00 0.00 N ATOM 334 CA GLY A 24 12.821 2.533 2.022 1.00 0.00 C ATOM 335 C GLY A 24 12.471 2.280 3.474 1.00 0.00 C ATOM 336 O GLY A 24 12.889 1.278 4.055 1.00 0.00 O ATOM 0 H GLY A 24 13.228 0.954 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.336 3.490 1.937 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.904 2.612 1.439 1.00 0.00 H new ATOM 340 N GLU A 25 11.702 3.190 4.063 1.00 0.00 N ATOM 341 CA GLU A 25 11.298 3.061 5.459 1.00 0.00 C ATOM 342 C GLU A 25 9.831 2.651 5.565 1.00 0.00 C ATOM 343 O GLU A 25 8.949 3.316 5.020 1.00 0.00 O ATOM 344 CB GLU A 25 11.526 4.378 6.203 1.00 0.00 C ATOM 345 CG GLU A 25 11.253 4.289 7.695 1.00 0.00 C ATOM 346 CD GLU A 25 11.302 5.641 8.379 1.00 0.00 C ATOM 347 OE1 GLU A 25 12.363 6.298 8.323 1.00 0.00 O ATOM 348 OE2 GLU A 25 10.278 6.044 8.970 1.00 0.00 O ATOM 0 H GLU A 25 11.346 4.024 3.596 1.00 0.00 H new ATOM 0 HA GLU A 25 11.909 2.283 5.917 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.556 4.699 6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.885 5.146 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.272 3.841 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.986 3.626 8.156 1.00 0.00 H new ATOM 355 N LEU A 26 9.579 1.553 6.269 1.00 0.00 N ATOM 356 CA LEU A 26 8.220 1.054 6.447 1.00 0.00 C ATOM 357 C LEU A 26 7.340 2.099 7.125 1.00 0.00 C ATOM 358 O LEU A 26 7.733 2.702 8.124 1.00 0.00 O ATOM 359 CB LEU A 26 8.233 -0.233 7.274 1.00 0.00 C ATOM 360 CG LEU A 26 7.016 -1.145 7.115 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.056 -1.860 5.774 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.951 -2.150 8.256 1.00 0.00 C ATOM 0 H LEU A 26 10.298 0.991 6.726 1.00 0.00 H new ATOM 0 HA LEU A 26 7.805 0.842 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.125 -0.801 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.326 0.036 8.326 1.00 0.00 H new ATOM 0 HG LEU A 26 6.117 -0.529 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.182 -2.504 5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.054 -1.125 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.961 -2.464 5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.079 -2.791 8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.854 -2.761 8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.874 -1.619 9.205 1.00 0.00 H new ATOM 374 N HIS A 27 6.147 2.307 6.577 1.00 0.00 N ATOM 375 CA HIS A 27 5.210 3.277 7.131 1.00 0.00 C ATOM 376 C HIS A 27 3.814 2.674 7.255 1.00 0.00 C ATOM 377 O HIS A 27 3.090 2.551 6.267 1.00 0.00 O ATOM 378 CB HIS A 27 5.161 4.529 6.254 1.00 0.00 C ATOM 379 CG HIS A 27 6.175 5.564 6.632 1.00 0.00 C ATOM 380 ND1 HIS A 27 5.845 6.873 6.914 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.518 5.478 6.776 1.00 0.00 C ATOM 382 CE1 HIS A 27 6.941 7.547 7.213 1.00 0.00 C ATOM 383 NE2 HIS A 27 7.970 6.723 7.137 1.00 0.00 N ATOM 0 H HIS A 27 5.807 1.817 5.750 1.00 0.00 H new ATOM 0 HA HIS A 27 5.557 3.553 8.127 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.318 4.241 5.215 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.165 4.968 6.316 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.122 4.594 6.633 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.988 8.594 7.475 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.943 6.971 7.317 1.00 0.00 H new ATOM 392 N ILE A 28 3.443 2.299 8.475 1.00 0.00 N ATOM 393 CA ILE A 28 2.134 1.710 8.728 1.00 0.00 C ATOM 394 C ILE A 28 1.152 2.754 9.247 1.00 0.00 C ATOM 395 O ILE A 28 1.286 3.242 10.370 1.00 0.00 O ATOM 396 CB ILE A 28 2.223 0.555 9.743 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.251 -0.480 9.282 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.859 -0.092 9.930 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.714 -1.406 10.386 1.00 0.00 C ATOM 0 H ILE A 28 4.031 2.393 9.303 1.00 0.00 H new ATOM 0 HA ILE A 28 1.775 1.319 7.776 1.00 0.00 H new ATOM 0 HB ILE A 28 2.547 0.958 10.703 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.820 -1.075 8.477 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.116 0.038 8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.938 -0.906 10.650 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.151 0.651 10.299 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.509 -0.485 8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.441 -2.113 9.987 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.175 -0.821 11.182 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.859 -1.952 10.785 1.00 0.00 H new ATOM 411 N ILE A 29 0.164 3.090 8.424 1.00 0.00 N ATOM 412 CA ILE A 29 -0.843 4.074 8.802 1.00 0.00 C ATOM 413 C ILE A 29 -2.250 3.541 8.558 1.00 0.00 C ATOM 414 O ILE A 29 -2.518 2.914 7.534 1.00 0.00 O ATOM 415 CB ILE A 29 -0.662 5.391 8.025 1.00 0.00 C ATOM 416 CG1 ILE A 29 -1.034 5.196 6.554 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.770 5.890 8.153 1.00 0.00 C ATOM 418 CD1 ILE A 29 -0.916 6.457 5.728 1.00 0.00 C ATOM 0 H ILE A 29 0.040 2.695 7.492 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.711 4.269 9.866 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.327 6.142 8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.391 4.428 6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.057 4.826 6.493 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.882 6.822 7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.002 6.063 9.204 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.453 5.143 7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.195 6.244 4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.580 7.221 6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.112 6.817 5.759 1.00 0.00 H new ATOM 430 N GLU A 30 -3.147 3.798 9.505 1.00 0.00 N ATOM 431 CA GLU A 30 -4.528 3.345 9.392 1.00 0.00 C ATOM 432 C GLU A 30 -5.412 4.437 8.794 1.00 0.00 C ATOM 433 O GLU A 30 -5.604 5.494 9.395 1.00 0.00 O ATOM 434 CB GLU A 30 -5.067 2.932 10.763 1.00 0.00 C ATOM 435 CG GLU A 30 -4.827 1.469 11.095 1.00 0.00 C ATOM 436 CD GLU A 30 -4.723 1.219 12.587 1.00 0.00 C ATOM 437 OE1 GLU A 30 -5.363 1.964 13.359 1.00 0.00 O ATOM 438 OE2 GLU A 30 -4.002 0.280 12.984 1.00 0.00 O ATOM 0 H GLU A 30 -2.942 4.317 10.359 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.546 2.481 8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.600 3.551 11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.138 3.133 10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.640 0.869 10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.910 1.136 10.610 1.00 0.00 H new ATOM 445 N LEU A 31 -5.946 4.173 7.607 1.00 0.00 N ATOM 446 CA LEU A 31 -6.809 5.132 6.926 1.00 0.00 C ATOM 447 C LEU A 31 -8.245 4.622 6.860 1.00 0.00 C ATOM 448 O LEU A 31 -8.498 3.511 6.395 1.00 0.00 O ATOM 449 CB LEU A 31 -6.287 5.404 5.513 1.00 0.00 C ATOM 450 CG LEU A 31 -4.816 5.805 5.407 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.397 5.916 3.949 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.567 7.117 6.137 1.00 0.00 C ATOM 0 H LEU A 31 -5.797 3.303 7.096 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.799 6.061 7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.443 4.509 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.891 6.195 5.070 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.213 5.030 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.347 6.202 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.538 4.954 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.006 6.671 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.514 7.387 6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.180 7.902 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.828 7.003 7.189 1.00 0.00 H new ATOM 464 N GLU A 32 -9.181 5.442 7.328 1.00 0.00 N ATOM 465 CA GLU A 32 -10.591 5.073 7.321 1.00 0.00 C ATOM 466 C GLU A 32 -11.212 5.323 5.949 1.00 0.00 C ATOM 467 O GLU A 32 -11.222 6.450 5.455 1.00 0.00 O ATOM 468 CB GLU A 32 -11.353 5.862 8.389 1.00 0.00 C ATOM 469 CG GLU A 32 -12.552 5.119 8.954 1.00 0.00 C ATOM 470 CD GLU A 32 -13.439 6.007 9.805 1.00 0.00 C ATOM 471 OE1 GLU A 32 -12.897 6.805 10.597 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.677 5.902 9.678 1.00 0.00 O ATOM 0 H GLU A 32 -8.988 6.365 7.716 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.663 4.009 7.545 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.671 6.107 9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.690 6.806 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.138 4.705 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.204 4.278 9.553 1.00 0.00 H new ATOM 479 N LYS A 33 -11.729 4.262 5.339 1.00 0.00 N ATOM 480 CA LYS A 33 -12.353 4.364 4.025 1.00 0.00 C ATOM 481 C LYS A 33 -13.302 5.556 3.964 1.00 0.00 C ATOM 482 O LYS A 33 -14.361 5.551 4.590 1.00 0.00 O ATOM 483 CB LYS A 33 -13.113 3.076 3.697 1.00 0.00 C ATOM 484 CG LYS A 33 -12.207 1.885 3.436 1.00 0.00 C ATOM 485 CD LYS A 33 -12.848 0.898 2.475 1.00 0.00 C ATOM 486 CE LYS A 33 -13.818 -0.028 3.192 1.00 0.00 C ATOM 487 NZ LYS A 33 -15.191 0.545 3.250 1.00 0.00 N ATOM 0 H LYS A 33 -11.728 3.321 5.734 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.565 4.512 3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.782 2.838 4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.738 3.246 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.259 2.231 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.982 1.384 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.375 1.442 1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.072 0.307 1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.847 -0.990 2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.460 -0.216 4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.532 0.531 4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.173 1.526 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.829 -0.021 2.654 1.00 0.00 H new ATOM 501 N ASP A 34 -12.915 6.575 3.204 1.00 0.00 N ATOM 502 CA ASP A 34 -13.733 7.774 3.059 1.00 0.00 C ATOM 503 C ASP A 34 -15.021 7.465 2.301 1.00 0.00 C ATOM 504 O ASP A 34 -15.220 6.347 1.824 1.00 0.00 O ATOM 505 CB ASP A 34 -12.949 8.867 2.332 1.00 0.00 C ATOM 506 CG ASP A 34 -13.595 10.232 2.470 1.00 0.00 C ATOM 507 OD1 ASP A 34 -13.940 10.613 3.608 1.00 0.00 O ATOM 508 OD2 ASP A 34 -13.755 10.919 1.440 1.00 0.00 O ATOM 0 H ASP A 34 -12.041 6.595 2.679 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.995 8.128 4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.934 8.907 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.869 8.611 1.275 1.00 0.00 H new ATOM 513 N LYS A 35 -15.892 8.462 2.195 1.00 0.00 N ATOM 514 CA LYS A 35 -17.161 8.298 1.495 1.00 0.00 C ATOM 515 C LYS A 35 -16.993 7.416 0.262 1.00 0.00 C ATOM 516 O LYS A 35 -17.928 6.737 -0.159 1.00 0.00 O ATOM 517 CB LYS A 35 -17.722 9.662 1.086 1.00 0.00 C ATOM 518 CG LYS A 35 -19.051 9.580 0.356 1.00 0.00 C ATOM 519 CD LYS A 35 -19.543 10.955 -0.063 1.00 0.00 C ATOM 520 CE LYS A 35 -20.719 10.857 -1.023 1.00 0.00 C ATOM 521 NZ LYS A 35 -21.008 12.162 -1.681 1.00 0.00 N ATOM 0 H LYS A 35 -15.743 9.393 2.585 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.861 7.813 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.844 10.277 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.997 10.167 0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.945 8.947 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.793 9.108 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.839 11.521 0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.730 11.505 -0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.505 10.106 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.603 10.520 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.816 12.054 -2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -21.237 12.873 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -20.174 12.472 -2.219 1.00 0.00 H new ATOM 535 N ASN A 36 -15.794 7.430 -0.311 1.00 0.00 N ATOM 536 CA ASN A 36 -15.503 6.630 -1.495 1.00 0.00 C ATOM 537 C ASN A 36 -14.534 5.499 -1.163 1.00 0.00 C ATOM 538 O ASN A 36 -14.503 4.474 -1.844 1.00 0.00 O ATOM 539 CB ASN A 36 -14.917 7.511 -2.600 1.00 0.00 C ATOM 540 CG ASN A 36 -15.946 8.450 -3.198 1.00 0.00 C ATOM 541 OD1 ASN A 36 -17.038 8.620 -2.654 1.00 0.00 O ATOM 542 ND2 ASN A 36 -15.602 9.066 -4.323 1.00 0.00 N ATOM 0 H ASN A 36 -15.008 7.987 0.025 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.438 6.192 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.089 8.094 -2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.507 6.878 -3.387 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -16.253 9.710 -4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.686 8.895 -4.739 1.00 0.00 H new ATOM 549 N GLY A 37 -13.744 5.693 -0.111 1.00 0.00 N ATOM 550 CA GLY A 37 -12.786 4.681 0.293 1.00 0.00 C ATOM 551 C GLY A 37 -11.353 5.106 0.041 1.00 0.00 C ATOM 552 O GLY A 37 -11.091 6.259 -0.307 1.00 0.00 O ATOM 0 H GLY A 37 -13.751 6.533 0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.916 4.464 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.988 3.757 -0.248 1.00 0.00 H new ATOM 556 N LEU A 38 -10.422 4.175 0.217 1.00 0.00 N ATOM 557 CA LEU A 38 -9.006 4.460 0.007 1.00 0.00 C ATOM 558 C LEU A 38 -8.709 4.681 -1.473 1.00 0.00 C ATOM 559 O LEU A 38 -8.420 3.736 -2.206 1.00 0.00 O ATOM 560 CB LEU A 38 -8.150 3.312 0.545 1.00 0.00 C ATOM 561 CG LEU A 38 -8.566 2.744 1.903 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.860 1.423 2.167 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.267 3.742 3.012 1.00 0.00 C ATOM 0 H LEU A 38 -10.621 3.217 0.504 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.760 5.373 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.164 2.502 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.119 3.658 0.619 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.640 2.561 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.168 1.033 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.124 0.707 1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.781 1.580 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.569 3.322 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.198 3.956 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.819 4.664 2.830 1.00 0.00 H new ATOM 575 N GLY A 39 -8.779 5.937 -1.904 1.00 0.00 N ATOM 576 CA GLY A 39 -8.512 6.260 -3.294 1.00 0.00 C ATOM 577 C GLY A 39 -7.033 6.433 -3.575 1.00 0.00 C ATOM 578 O GLY A 39 -6.414 7.393 -3.113 1.00 0.00 O ATOM 0 H GLY A 39 -9.016 6.736 -1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.910 5.469 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.039 7.177 -3.558 1.00 0.00 H new ATOM 582 N LEU A 40 -6.464 5.504 -4.334 1.00 0.00 N ATOM 583 CA LEU A 40 -5.046 5.557 -4.675 1.00 0.00 C ATOM 584 C LEU A 40 -4.800 4.990 -6.070 1.00 0.00 C ATOM 585 O LEU A 40 -5.353 3.952 -6.435 1.00 0.00 O ATOM 586 CB LEU A 40 -4.224 4.782 -3.644 1.00 0.00 C ATOM 587 CG LEU A 40 -4.290 5.299 -2.207 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.081 4.161 -1.220 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.257 6.395 -1.987 1.00 0.00 C ATOM 0 H LEU A 40 -6.962 4.705 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.734 6.601 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.556 3.744 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.182 4.786 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.281 5.721 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.131 4.548 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.858 3.410 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.104 3.708 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.318 6.751 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.259 5.998 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.453 7.222 -2.670 1.00 0.00 H new ATOM 601 N SER A 41 -3.966 5.676 -6.843 1.00 0.00 N ATOM 602 CA SER A 41 -3.647 5.242 -8.198 1.00 0.00 C ATOM 603 C SER A 41 -2.540 4.193 -8.186 1.00 0.00 C ATOM 604 O SER A 41 -1.374 4.506 -7.942 1.00 0.00 O ATOM 605 CB SER A 41 -3.223 6.437 -9.054 1.00 0.00 C ATOM 606 OG SER A 41 -4.237 7.427 -9.085 1.00 0.00 O ATOM 0 H SER A 41 -3.498 6.535 -6.554 1.00 0.00 H new ATOM 0 HA SER A 41 -4.543 4.795 -8.629 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.304 6.866 -8.656 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.005 6.103 -10.068 1.00 0.00 H new ATOM 0 HG SER A 41 -3.941 8.181 -9.637 1.00 0.00 H new ATOM 612 N LEU A 42 -2.913 2.945 -8.452 1.00 0.00 N ATOM 613 CA LEU A 42 -1.952 1.848 -8.473 1.00 0.00 C ATOM 614 C LEU A 42 -1.504 1.542 -9.898 1.00 0.00 C ATOM 615 O LEU A 42 -2.322 1.481 -10.816 1.00 0.00 O ATOM 616 CB LEU A 42 -2.564 0.597 -7.839 1.00 0.00 C ATOM 617 CG LEU A 42 -3.278 0.803 -6.503 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.988 -0.472 -6.075 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.293 1.251 -5.434 1.00 0.00 C ATOM 0 H LEU A 42 -3.873 2.668 -8.656 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.079 2.152 -7.896 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.274 0.166 -8.545 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.772 -0.138 -7.695 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.025 1.586 -6.630 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.491 -0.306 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.724 -0.750 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.259 -1.275 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.820 1.392 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.522 0.491 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.831 2.191 -5.736 1.00 0.00 H new ATOM 631 N ALA A 43 -0.202 1.349 -10.075 1.00 0.00 N ATOM 632 CA ALA A 43 0.354 1.045 -11.388 1.00 0.00 C ATOM 633 C ALA A 43 1.440 -0.021 -11.292 1.00 0.00 C ATOM 634 O ALA A 43 2.470 0.185 -10.651 1.00 0.00 O ATOM 635 CB ALA A 43 0.907 2.308 -12.032 1.00 0.00 C ATOM 0 H ALA A 43 0.488 1.398 -9.326 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.449 0.653 -12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.319 2.066 -13.012 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.107 3.039 -12.145 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.692 2.724 -11.401 1.00 0.00 H new ATOM 641 N GLY A 44 1.202 -1.162 -11.932 1.00 0.00 N ATOM 642 CA GLY A 44 2.169 -2.244 -11.904 1.00 0.00 C ATOM 643 C GLY A 44 3.572 -1.776 -12.235 1.00 0.00 C ATOM 644 O GLY A 44 3.772 -1.012 -13.178 1.00 0.00 O ATOM 0 H GLY A 44 0.357 -1.356 -12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.166 -2.704 -10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.869 -3.014 -12.615 1.00 0.00 H new ATOM 648 N ASN A 45 4.546 -2.234 -11.455 1.00 0.00 N ATOM 649 CA ASN A 45 5.938 -1.856 -11.669 1.00 0.00 C ATOM 650 C ASN A 45 6.249 -1.746 -13.159 1.00 0.00 C ATOM 651 O ASN A 45 5.652 -2.440 -13.982 1.00 0.00 O ATOM 652 CB ASN A 45 6.872 -2.876 -11.015 1.00 0.00 C ATOM 653 CG ASN A 45 8.297 -2.370 -10.908 1.00 0.00 C ATOM 654 OD1 ASN A 45 8.830 -1.777 -11.846 1.00 0.00 O ATOM 655 ND2 ASN A 45 8.923 -2.602 -9.759 1.00 0.00 N ATOM 0 H ASN A 45 4.397 -2.867 -10.669 1.00 0.00 H new ATOM 0 HA ASN A 45 6.098 -0.881 -11.210 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.500 -3.119 -10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.860 -3.799 -11.594 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.884 -2.285 -9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.443 -3.097 -9.008 1.00 0.00 H new ATOM 662 N LYS A 46 7.189 -0.870 -13.499 1.00 0.00 N ATOM 663 CA LYS A 46 7.582 -0.670 -14.888 1.00 0.00 C ATOM 664 C LYS A 46 7.661 -2.001 -15.629 1.00 0.00 C ATOM 665 O LYS A 46 7.112 -2.148 -16.721 1.00 0.00 O ATOM 666 CB LYS A 46 8.933 0.046 -14.959 1.00 0.00 C ATOM 667 CG LYS A 46 8.844 1.540 -14.696 1.00 0.00 C ATOM 668 CD LYS A 46 10.222 2.173 -14.606 1.00 0.00 C ATOM 669 CE LYS A 46 10.159 3.678 -14.815 1.00 0.00 C ATOM 670 NZ LYS A 46 10.233 4.041 -16.258 1.00 0.00 N ATOM 0 H LYS A 46 7.693 -0.287 -12.830 1.00 0.00 H new ATOM 0 HA LYS A 46 6.824 -0.052 -15.368 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.611 -0.403 -14.233 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.369 -0.116 -15.945 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.275 2.017 -15.493 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.301 1.715 -13.767 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.659 1.958 -13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.878 1.728 -15.354 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.233 4.065 -14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.980 4.154 -14.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.187 5.075 -16.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.128 3.694 -16.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.436 3.608 -16.766 1.00 0.00 H new ATOM 684 N ASP A 47 8.346 -2.967 -15.027 1.00 0.00 N ATOM 685 CA ASP A 47 8.495 -4.288 -15.629 1.00 0.00 C ATOM 686 C ASP A 47 7.338 -5.199 -15.231 1.00 0.00 C ATOM 687 O ASP A 47 7.036 -5.354 -14.047 1.00 0.00 O ATOM 688 CB ASP A 47 9.824 -4.916 -15.209 1.00 0.00 C ATOM 689 CG ASP A 47 10.355 -5.892 -16.241 1.00 0.00 C ATOM 690 OD1 ASP A 47 10.834 -5.435 -17.299 1.00 0.00 O ATOM 691 OD2 ASP A 47 10.292 -7.114 -15.989 1.00 0.00 O ATOM 0 H ASP A 47 8.807 -2.861 -14.123 1.00 0.00 H new ATOM 0 HA ASP A 47 8.485 -4.171 -16.713 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.559 -4.128 -15.046 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.694 -5.432 -14.258 1.00 0.00 H new ATOM 696 N ARG A 48 6.695 -5.800 -16.227 1.00 0.00 N ATOM 697 CA ARG A 48 5.570 -6.694 -15.980 1.00 0.00 C ATOM 698 C ARG A 48 6.032 -7.968 -15.278 1.00 0.00 C ATOM 699 O ARG A 48 5.241 -8.654 -14.632 1.00 0.00 O ATOM 700 CB ARG A 48 4.875 -7.048 -17.296 1.00 0.00 C ATOM 701 CG ARG A 48 5.656 -8.031 -18.152 1.00 0.00 C ATOM 702 CD ARG A 48 4.729 -8.902 -18.986 1.00 0.00 C ATOM 703 NE ARG A 48 5.354 -9.326 -20.236 1.00 0.00 N ATOM 704 CZ ARG A 48 5.389 -8.576 -21.332 1.00 0.00 C ATOM 705 NH1 ARG A 48 4.839 -7.369 -21.331 1.00 0.00 N ATOM 706 NH2 ARG A 48 5.977 -9.032 -22.431 1.00 0.00 N ATOM 0 H ARG A 48 6.934 -5.684 -17.212 1.00 0.00 H new ATOM 0 HA ARG A 48 4.863 -6.178 -15.331 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.894 -7.470 -17.077 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.709 -6.134 -17.867 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.333 -7.485 -18.809 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.273 -8.662 -17.512 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.440 -9.780 -18.409 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.815 -8.351 -19.206 1.00 0.00 H new ATOM 0 HE ARG A 48 5.787 -10.249 -20.269 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.388 -7.015 -20.488 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.867 -6.795 -22.174 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.402 -9.959 -22.435 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.003 -8.455 -23.272 1.00 0.00 H new ATOM 720 N SER A 49 7.318 -8.278 -15.411 1.00 0.00 N ATOM 721 CA SER A 49 7.885 -9.471 -14.794 1.00 0.00 C ATOM 722 C SER A 49 7.974 -9.308 -13.279 1.00 0.00 C ATOM 723 O SER A 49 8.063 -10.291 -12.543 1.00 0.00 O ATOM 724 CB SER A 49 9.272 -9.759 -15.370 1.00 0.00 C ATOM 725 OG SER A 49 9.701 -11.068 -15.037 1.00 0.00 O ATOM 0 H SER A 49 7.987 -7.719 -15.941 1.00 0.00 H new ATOM 0 HA SER A 49 7.227 -10.312 -15.014 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.250 -9.645 -16.454 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.987 -9.030 -14.987 1.00 0.00 H new ATOM 0 HG SER A 49 9.358 -11.309 -14.151 1.00 0.00 H new ATOM 731 N ARG A 50 7.950 -8.061 -12.822 1.00 0.00 N ATOM 732 CA ARG A 50 8.030 -7.768 -11.396 1.00 0.00 C ATOM 733 C ARG A 50 6.670 -7.337 -10.853 1.00 0.00 C ATOM 734 O ARG A 50 6.306 -6.164 -10.926 1.00 0.00 O ATOM 735 CB ARG A 50 9.066 -6.673 -11.135 1.00 0.00 C ATOM 736 CG ARG A 50 10.502 -7.168 -11.190 1.00 0.00 C ATOM 737 CD ARG A 50 11.440 -6.239 -10.436 1.00 0.00 C ATOM 738 NE ARG A 50 12.795 -6.778 -10.355 1.00 0.00 N ATOM 739 CZ ARG A 50 13.784 -6.184 -9.696 1.00 0.00 C ATOM 740 NH1 ARG A 50 13.570 -5.038 -9.064 1.00 0.00 N ATOM 741 NH2 ARG A 50 14.990 -6.736 -9.668 1.00 0.00 N ATOM 0 H ARG A 50 7.876 -7.237 -13.418 1.00 0.00 H new ATOM 0 HA ARG A 50 8.337 -8.678 -10.880 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.936 -5.879 -11.870 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.879 -6.234 -10.155 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.559 -8.169 -10.764 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.822 -7.245 -12.229 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.465 -5.268 -10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.055 -6.073 -9.430 1.00 0.00 H new ATOM 0 HE ARG A 50 12.993 -7.659 -10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.644 -4.610 -9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.331 -4.584 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.159 -7.617 -10.153 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.748 -6.279 -9.162 1.00 0.00 H new ATOM 755 N MET A 51 5.926 -8.294 -10.308 1.00 0.00 N ATOM 756 CA MET A 51 4.607 -8.012 -9.752 1.00 0.00 C ATOM 757 C MET A 51 4.722 -7.203 -8.465 1.00 0.00 C ATOM 758 O MET A 51 5.088 -7.734 -7.417 1.00 0.00 O ATOM 759 CB MET A 51 3.855 -9.317 -9.483 1.00 0.00 C ATOM 760 CG MET A 51 2.343 -9.171 -9.552 1.00 0.00 C ATOM 761 SD MET A 51 1.780 -8.515 -11.134 1.00 0.00 S ATOM 762 CE MET A 51 1.587 -6.781 -10.732 1.00 0.00 C ATOM 0 H MET A 51 6.213 -9.270 -10.239 1.00 0.00 H new ATOM 0 HA MET A 51 4.050 -7.424 -10.481 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.173 -10.066 -10.208 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.131 -9.690 -8.497 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.880 -10.143 -9.381 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.009 -8.513 -8.750 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.598 -6.444 -11.042 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.697 -6.642 -9.656 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.348 -6.200 -11.253 1.00 0.00 H new ATOM 772 N SER A 52 4.407 -5.914 -8.551 1.00 0.00 N ATOM 773 CA SER A 52 4.478 -5.031 -7.393 1.00 0.00 C ATOM 774 C SER A 52 3.451 -3.908 -7.502 1.00 0.00 C ATOM 775 O SER A 52 3.082 -3.495 -8.602 1.00 0.00 O ATOM 776 CB SER A 52 5.884 -4.441 -7.261 1.00 0.00 C ATOM 777 OG SER A 52 6.728 -5.296 -6.511 1.00 0.00 O ATOM 0 H SER A 52 4.100 -5.458 -9.411 1.00 0.00 H new ATOM 0 HA SER A 52 4.253 -5.620 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.310 -4.283 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.828 -3.465 -6.778 1.00 0.00 H new ATOM 0 HG SER A 52 6.417 -6.221 -6.598 1.00 0.00 H new ATOM 783 N ILE A 53 2.995 -3.419 -6.354 1.00 0.00 N ATOM 784 CA ILE A 53 2.011 -2.343 -6.320 1.00 0.00 C ATOM 785 C ILE A 53 2.628 -1.051 -5.796 1.00 0.00 C ATOM 786 O ILE A 53 3.247 -1.032 -4.732 1.00 0.00 O ATOM 787 CB ILE A 53 0.802 -2.714 -5.441 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.180 -4.028 -5.920 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.229 -1.596 -5.461 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.801 -4.626 -4.937 1.00 0.00 C ATOM 0 H ILE A 53 3.291 -3.750 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 53 1.672 -2.192 -7.345 1.00 0.00 H new ATOM 0 HB ILE A 53 1.144 -2.848 -4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.328 -3.855 -6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.975 -4.749 -6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.078 -1.872 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.221 -0.680 -5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.570 -1.434 -6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.202 -5.555 -5.343 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.293 -4.831 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.617 -3.924 -4.764 1.00 0.00 H new ATOM 802 N PHE A 54 2.454 0.030 -6.550 1.00 0.00 N ATOM 803 CA PHE A 54 2.992 1.328 -6.161 1.00 0.00 C ATOM 804 C PHE A 54 1.913 2.405 -6.221 1.00 0.00 C ATOM 805 O PHE A 54 0.895 2.243 -6.895 1.00 0.00 O ATOM 806 CB PHE A 54 4.162 1.711 -7.071 1.00 0.00 C ATOM 807 CG PHE A 54 5.327 0.769 -6.978 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.070 0.677 -5.812 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.681 -0.025 -8.057 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.143 -0.190 -5.723 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.753 -0.893 -7.974 1.00 0.00 C ATOM 812 CZ PHE A 54 7.485 -0.975 -6.806 1.00 0.00 C ATOM 0 H PHE A 54 1.945 0.032 -7.434 1.00 0.00 H new ATOM 0 HA PHE A 54 3.348 1.253 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.813 1.744 -8.103 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.497 2.716 -6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.808 1.290 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.113 0.035 -8.973 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.713 -0.253 -4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.018 -1.507 -8.822 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.324 -1.652 -6.740 1.00 0.00 H new ATOM 822 N VAL A 55 2.142 3.504 -5.510 1.00 0.00 N ATOM 823 CA VAL A 55 1.191 4.609 -5.481 1.00 0.00 C ATOM 824 C VAL A 55 1.646 5.749 -6.384 1.00 0.00 C ATOM 825 O VAL A 55 2.448 6.592 -5.982 1.00 0.00 O ATOM 826 CB VAL A 55 0.998 5.146 -4.051 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.095 6.371 -4.058 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.432 4.062 -3.146 1.00 0.00 C ATOM 0 H VAL A 55 2.979 3.653 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 55 0.241 4.219 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 55 1.971 5.443 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.030 6.737 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.546 7.152 -4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.878 6.103 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.302 4.460 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.532 3.732 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.120 3.217 -3.116 1.00 0.00 H new ATOM 838 N VAL A 56 1.127 5.771 -7.608 1.00 0.00 N ATOM 839 CA VAL A 56 1.478 6.810 -8.569 1.00 0.00 C ATOM 840 C VAL A 56 0.487 7.967 -8.514 1.00 0.00 C ATOM 841 O VAL A 56 0.489 8.842 -9.379 1.00 0.00 O ATOM 842 CB VAL A 56 1.523 6.254 -10.005 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.287 4.940 -10.045 1.00 0.00 C ATOM 844 CG2 VAL A 56 0.114 6.079 -10.552 1.00 0.00 C ATOM 0 H VAL A 56 0.462 5.081 -7.957 1.00 0.00 H new ATOM 0 HA VAL A 56 2.469 7.172 -8.296 1.00 0.00 H new ATOM 0 HB VAL A 56 2.047 6.970 -10.638 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.308 4.562 -11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.307 5.101 -9.697 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.794 4.213 -9.400 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.164 5.685 -11.567 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.438 5.383 -9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.395 7.043 -10.561 1.00 0.00 H new ATOM 854 N GLY A 57 -0.360 7.966 -7.489 1.00 0.00 N ATOM 855 CA GLY A 57 -1.346 9.021 -7.340 1.00 0.00 C ATOM 856 C GLY A 57 -2.162 8.876 -6.071 1.00 0.00 C ATOM 857 O GLY A 57 -2.356 7.767 -5.573 1.00 0.00 O ATOM 0 H GLY A 57 -0.381 7.254 -6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.842 9.987 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.014 9.014 -8.201 1.00 0.00 H new ATOM 861 N ILE A 58 -2.639 10.000 -5.546 1.00 0.00 N ATOM 862 CA ILE A 58 -3.438 9.993 -4.326 1.00 0.00 C ATOM 863 C ILE A 58 -4.664 10.888 -4.467 1.00 0.00 C ATOM 864 O ILE A 58 -4.594 12.094 -4.237 1.00 0.00 O ATOM 865 CB ILE A 58 -2.614 10.458 -3.111 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.468 9.481 -2.840 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.506 10.590 -1.885 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.546 9.925 -1.726 1.00 0.00 C ATOM 0 H ILE A 58 -2.486 10.926 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.759 8.964 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.187 11.436 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.885 8.506 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.886 9.354 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.909 10.919 -1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.290 11.321 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.958 9.625 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.242 9.185 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.101 10.886 -1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.114 10.025 -0.801 1.00 0.00 H new ATOM 880 N ASN A 59 -5.788 10.288 -4.846 1.00 0.00 N ATOM 881 CA ASN A 59 -7.031 11.030 -5.017 1.00 0.00 C ATOM 882 C ASN A 59 -7.284 11.949 -3.825 1.00 0.00 C ATOM 883 O ASN A 59 -7.312 11.518 -2.673 1.00 0.00 O ATOM 884 CB ASN A 59 -8.206 10.066 -5.190 1.00 0.00 C ATOM 885 CG ASN A 59 -9.311 10.648 -6.051 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.705 11.802 -5.878 1.00 0.00 O ATOM 887 ND2 ASN A 59 -9.816 9.851 -6.985 1.00 0.00 N ATOM 0 H ASN A 59 -5.863 9.290 -5.040 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.938 11.643 -5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.849 9.140 -5.640 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.609 9.810 -4.210 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.561 10.188 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.459 8.902 -7.093 1.00 0.00 H new ATOM 894 N PRO A 60 -7.474 13.246 -4.108 1.00 0.00 N ATOM 895 CA PRO A 60 -7.729 14.253 -3.073 1.00 0.00 C ATOM 896 C PRO A 60 -9.104 14.091 -2.434 1.00 0.00 C ATOM 897 O PRO A 60 -9.440 14.792 -1.480 1.00 0.00 O ATOM 898 CB PRO A 60 -7.648 15.576 -3.838 1.00 0.00 C ATOM 899 CG PRO A 60 -7.983 15.221 -5.246 1.00 0.00 C ATOM 900 CD PRO A 60 -7.454 13.830 -5.460 1.00 0.00 C ATOM 0 HA PRO A 60 -7.021 14.178 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.349 16.309 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.653 16.014 -3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.060 15.259 -5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.528 15.923 -5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.079 13.264 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.447 13.843 -5.877 1.00 0.00 H new ATOM 908 N GLU A 61 -9.893 13.162 -2.965 1.00 0.00 N ATOM 909 CA GLU A 61 -11.231 12.909 -2.444 1.00 0.00 C ATOM 910 C GLU A 61 -11.211 11.783 -1.415 1.00 0.00 C ATOM 911 O GLU A 61 -12.042 11.741 -0.508 1.00 0.00 O ATOM 912 CB GLU A 61 -12.188 12.555 -3.585 1.00 0.00 C ATOM 913 CG GLU A 61 -11.921 11.193 -4.202 1.00 0.00 C ATOM 914 CD GLU A 61 -12.306 11.131 -5.668 1.00 0.00 C ATOM 915 OE1 GLU A 61 -12.254 12.183 -6.339 1.00 0.00 O ATOM 916 OE2 GLU A 61 -12.658 10.031 -6.143 1.00 0.00 O ATOM 0 H GLU A 61 -9.629 12.573 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.580 13.818 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.211 12.581 -3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.113 13.317 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.863 10.952 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.477 10.434 -3.652 1.00 0.00 H new ATOM 923 N GLY A 62 -10.255 10.871 -1.562 1.00 0.00 N ATOM 924 CA GLY A 62 -10.144 9.756 -0.640 1.00 0.00 C ATOM 925 C GLY A 62 -9.484 10.149 0.667 1.00 0.00 C ATOM 926 O GLY A 62 -9.121 11.306 0.881 1.00 0.00 O ATOM 0 H GLY A 62 -9.555 10.885 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.137 9.357 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.569 8.957 -1.108 1.00 0.00 H new ATOM 930 N PRO A 63 -9.320 9.170 1.569 1.00 0.00 N ATOM 931 CA PRO A 63 -8.700 9.396 2.878 1.00 0.00 C ATOM 932 C PRO A 63 -7.205 9.679 2.770 1.00 0.00 C ATOM 933 O PRO A 63 -6.704 10.645 3.344 1.00 0.00 O ATOM 934 CB PRO A 63 -8.942 8.078 3.618 1.00 0.00 C ATOM 935 CG PRO A 63 -9.083 7.059 2.540 1.00 0.00 C ATOM 936 CD PRO A 63 -9.729 7.768 1.382 1.00 0.00 C ATOM 0 HA PRO A 63 -9.119 10.267 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.112 7.839 4.283 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.839 8.129 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.112 6.654 2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.694 6.220 2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.384 7.373 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.814 7.660 1.399 1.00 0.00 H new ATOM 944 N ALA A 64 -6.499 8.830 2.031 1.00 0.00 N ATOM 945 CA ALA A 64 -5.062 8.991 1.845 1.00 0.00 C ATOM 946 C ALA A 64 -4.687 10.463 1.714 1.00 0.00 C ATOM 947 O ALA A 64 -3.674 10.906 2.255 1.00 0.00 O ATOM 948 CB ALA A 64 -4.597 8.215 0.622 1.00 0.00 C ATOM 0 H ALA A 64 -6.899 8.023 1.551 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.560 8.592 2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.522 8.345 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.822 7.157 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.114 8.587 -0.263 1.00 0.00 H new ATOM 954 N ALA A 65 -5.510 11.217 0.992 1.00 0.00 N ATOM 955 CA ALA A 65 -5.265 12.640 0.791 1.00 0.00 C ATOM 956 C ALA A 65 -5.453 13.418 2.089 1.00 0.00 C ATOM 957 O ALA A 65 -4.679 14.323 2.399 1.00 0.00 O ATOM 958 CB ALA A 65 -6.183 13.186 -0.292 1.00 0.00 C ATOM 0 H ALA A 65 -6.352 10.866 0.537 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.230 12.764 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.989 14.250 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.997 12.658 -1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.222 13.043 0.005 1.00 0.00 H new ATOM 964 N ALA A 66 -6.487 13.059 2.844 1.00 0.00 N ATOM 965 CA ALA A 66 -6.776 13.724 4.108 1.00 0.00 C ATOM 966 C ALA A 66 -5.664 13.480 5.123 1.00 0.00 C ATOM 967 O ALA A 66 -5.301 14.374 5.887 1.00 0.00 O ATOM 968 CB ALA A 66 -8.111 13.247 4.661 1.00 0.00 C ATOM 0 H ALA A 66 -7.138 12.312 2.602 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.834 14.796 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.315 13.752 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.903 13.477 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.073 12.170 4.826 1.00 0.00 H new ATOM 974 N ASP A 67 -5.127 12.265 5.125 1.00 0.00 N ATOM 975 CA ASP A 67 -4.056 11.904 6.046 1.00 0.00 C ATOM 976 C ASP A 67 -2.796 12.715 5.759 1.00 0.00 C ATOM 977 O ASP A 67 -2.152 13.225 6.675 1.00 0.00 O ATOM 978 CB ASP A 67 -3.749 10.409 5.944 1.00 0.00 C ATOM 979 CG ASP A 67 -3.165 9.849 7.226 1.00 0.00 C ATOM 980 OD1 ASP A 67 -3.567 10.314 8.314 1.00 0.00 O ATOM 981 OD2 ASP A 67 -2.308 8.945 7.142 1.00 0.00 O ATOM 0 H ASP A 67 -5.416 11.513 4.499 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.390 12.130 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.664 9.869 5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.050 10.240 5.125 1.00 0.00 H new ATOM 986 N GLY A 68 -2.451 12.830 4.481 1.00 0.00 N ATOM 987 CA GLY A 68 -1.269 13.580 4.096 1.00 0.00 C ATOM 988 C GLY A 68 0.008 12.785 4.284 1.00 0.00 C ATOM 989 O GLY A 68 1.064 13.167 3.778 1.00 0.00 O ATOM 0 H GLY A 68 -2.968 12.417 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.357 13.880 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.214 14.495 4.686 1.00 0.00 H new ATOM 993 N ARG A 69 -0.087 11.679 5.013 1.00 0.00 N ATOM 994 CA ARG A 69 1.070 10.830 5.269 1.00 0.00 C ATOM 995 C ARG A 69 1.470 10.063 4.012 1.00 0.00 C ATOM 996 O ARG A 69 2.638 10.052 3.625 1.00 0.00 O ATOM 997 CB ARG A 69 0.770 9.849 6.404 1.00 0.00 C ATOM 998 CG ARG A 69 0.826 10.480 7.785 1.00 0.00 C ATOM 999 CD ARG A 69 0.639 9.442 8.880 1.00 0.00 C ATOM 1000 NE ARG A 69 -0.010 10.004 10.062 1.00 0.00 N ATOM 1001 CZ ARG A 69 0.079 9.467 11.274 1.00 0.00 C ATOM 1002 NH1 ARG A 69 0.786 8.361 11.463 1.00 0.00 N ATOM 1003 NH2 ARG A 69 -0.539 10.037 12.300 1.00 0.00 N ATOM 0 H ARG A 69 -0.954 11.349 5.437 1.00 0.00 H new ATOM 0 HA ARG A 69 1.901 11.471 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.220 9.420 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.484 9.027 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.784 10.982 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.052 11.243 7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.041 8.615 8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.609 9.031 9.160 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.561 10.855 9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.263 7.920 10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.852 7.951 12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.083 10.888 12.159 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.470 9.624 13.230 1.00 0.00 H new ATOM 1017 N MET A 70 0.492 9.423 3.379 1.00 0.00 N ATOM 1018 CA MET A 70 0.743 8.654 2.166 1.00 0.00 C ATOM 1019 C MET A 70 1.185 9.566 1.026 1.00 0.00 C ATOM 1020 O MET A 70 0.598 10.624 0.802 1.00 0.00 O ATOM 1021 CB MET A 70 -0.513 7.881 1.758 1.00 0.00 C ATOM 1022 CG MET A 70 -0.591 6.486 2.358 1.00 0.00 C ATOM 1023 SD MET A 70 -1.498 5.330 1.313 1.00 0.00 S ATOM 1024 CE MET A 70 -0.167 4.653 0.323 1.00 0.00 C ATOM 0 H MET A 70 -0.481 9.422 3.686 1.00 0.00 H new ATOM 0 HA MET A 70 1.546 7.946 2.374 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.393 8.448 2.062 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.544 7.802 0.671 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.418 6.108 2.521 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.072 6.541 3.335 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.521 3.768 -0.206 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.165 5.399 -0.399 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.666 4.380 0.971 1.00 0.00 H new ATOM 1034 N ARG A 71 2.224 9.148 0.310 1.00 0.00 N ATOM 1035 CA ARG A 71 2.746 9.929 -0.806 1.00 0.00 C ATOM 1036 C ARG A 71 2.921 9.056 -2.045 1.00 0.00 C ATOM 1037 O ARG A 71 2.742 7.839 -1.990 1.00 0.00 O ATOM 1038 CB ARG A 71 4.082 10.569 -0.427 1.00 0.00 C ATOM 1039 CG ARG A 71 3.960 11.655 0.629 1.00 0.00 C ATOM 1040 CD ARG A 71 3.748 13.023 -0.001 1.00 0.00 C ATOM 1041 NE ARG A 71 2.346 13.259 -0.338 1.00 0.00 N ATOM 1042 CZ ARG A 71 1.850 14.459 -0.619 1.00 0.00 C ATOM 1043 NH1 ARG A 71 2.637 15.526 -0.603 1.00 0.00 N ATOM 1044 NH2 ARG A 71 0.564 14.593 -0.916 1.00 0.00 N ATOM 0 H ARG A 71 2.721 8.274 0.482 1.00 0.00 H new ATOM 0 HA ARG A 71 2.027 10.715 -1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.756 9.794 -0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.538 10.993 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.127 11.426 1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.861 11.671 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.091 13.796 0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.356 13.106 -0.902 1.00 0.00 H new ATOM 0 HE ARG A 71 1.714 12.459 -0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.626 15.427 -0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.253 16.446 -0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.044 13.774 -0.929 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.184 15.515 -1.132 1.00 0.00 H new ATOM 1058 N ILE A 72 3.271 9.686 -3.161 1.00 0.00 N ATOM 1059 CA ILE A 72 3.470 8.967 -4.414 1.00 0.00 C ATOM 1060 C ILE A 72 4.797 8.215 -4.410 1.00 0.00 C ATOM 1061 O ILE A 72 5.863 8.816 -4.283 1.00 0.00 O ATOM 1062 CB ILE A 72 3.436 9.921 -5.622 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.268 10.901 -5.494 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.332 9.131 -6.918 1.00 0.00 C ATOM 1065 CD1 ILE A 72 0.982 10.250 -5.035 1.00 0.00 C ATOM 0 H ILE A 72 3.423 10.693 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 72 2.651 8.254 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 72 4.364 10.492 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.539 11.687 -4.790 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.099 11.381 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.309 9.819 -7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.194 8.470 -7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.418 8.536 -6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.197 11.003 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.687 9.483 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.134 9.794 -4.057 1.00 0.00 H new ATOM 1077 N GLY A 73 4.723 6.895 -4.554 1.00 0.00 N ATOM 1078 CA GLY A 73 5.925 6.083 -4.566 1.00 0.00 C ATOM 1079 C GLY A 73 5.848 4.917 -3.600 1.00 0.00 C ATOM 1080 O GLY A 73 6.589 3.943 -3.731 1.00 0.00 O ATOM 0 H GLY A 73 3.853 6.374 -4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.094 5.705 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.783 6.706 -4.311 1.00 0.00 H new ATOM 1084 N ASP A 74 4.950 5.018 -2.626 1.00 0.00 N ATOM 1085 CA ASP A 74 4.779 3.964 -1.633 1.00 0.00 C ATOM 1086 C ASP A 74 4.425 2.639 -2.301 1.00 0.00 C ATOM 1087 O ASP A 74 3.837 2.617 -3.382 1.00 0.00 O ATOM 1088 CB ASP A 74 3.690 4.350 -0.631 1.00 0.00 C ATOM 1089 CG ASP A 74 4.020 5.625 0.120 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.213 5.848 0.415 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.086 6.400 0.412 1.00 0.00 O ATOM 0 H ASP A 74 4.330 5.818 -2.503 1.00 0.00 H new ATOM 0 HA ASP A 74 5.724 3.842 -1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.744 4.476 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.552 3.537 0.082 1.00 0.00 H new ATOM 1096 N GLU A 75 4.789 1.538 -1.651 1.00 0.00 N ATOM 1097 CA GLU A 75 4.511 0.210 -2.185 1.00 0.00 C ATOM 1098 C GLU A 75 3.752 -0.638 -1.168 1.00 0.00 C ATOM 1099 O GLU A 75 4.325 -1.107 -0.183 1.00 0.00 O ATOM 1100 CB GLU A 75 5.814 -0.490 -2.577 1.00 0.00 C ATOM 1101 CG GLU A 75 5.654 -1.980 -2.827 1.00 0.00 C ATOM 1102 CD GLU A 75 6.984 -2.704 -2.908 1.00 0.00 C ATOM 1103 OE1 GLU A 75 7.990 -2.057 -3.270 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.019 -3.916 -2.611 1.00 0.00 O ATOM 0 H GLU A 75 5.276 1.539 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 75 3.888 0.327 -3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.212 -0.020 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.549 -0.340 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.055 -2.416 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.105 -2.132 -3.756 1.00 0.00 H new ATOM 1111 N LEU A 76 2.461 -0.830 -1.412 1.00 0.00 N ATOM 1112 CA LEU A 76 1.622 -1.620 -0.518 1.00 0.00 C ATOM 1113 C LEU A 76 2.176 -3.032 -0.358 1.00 0.00 C ATOM 1114 O LEU A 76 2.466 -3.712 -1.343 1.00 0.00 O ATOM 1115 CB LEU A 76 0.189 -1.680 -1.050 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.569 -0.352 -1.085 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.935 -0.535 -1.730 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.712 0.218 0.318 1.00 0.00 C ATOM 0 H LEU A 76 1.972 -0.449 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 76 1.620 -1.137 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.214 -2.088 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.376 -2.382 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 76 0.003 0.355 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.460 0.420 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.810 -0.898 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.514 -1.258 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.254 1.163 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.262 -0.486 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.277 0.387 0.745 1.00 0.00 H new ATOM 1130 N LEU A 77 2.320 -3.468 0.889 1.00 0.00 N ATOM 1131 CA LEU A 77 2.837 -4.800 1.179 1.00 0.00 C ATOM 1132 C LEU A 77 1.743 -5.698 1.747 1.00 0.00 C ATOM 1133 O LEU A 77 1.660 -6.879 1.412 1.00 0.00 O ATOM 1134 CB LEU A 77 4.004 -4.713 2.165 1.00 0.00 C ATOM 1135 CG LEU A 77 5.154 -3.790 1.763 1.00 0.00 C ATOM 1136 CD1 LEU A 77 5.984 -3.411 2.980 1.00 0.00 C ATOM 1137 CD2 LEU A 77 6.026 -4.453 0.706 1.00 0.00 C ATOM 0 H LEU A 77 2.086 -2.918 1.715 1.00 0.00 H new ATOM 0 HA LEU A 77 3.190 -5.236 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.616 -4.379 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.404 -5.716 2.313 1.00 0.00 H new ATOM 0 HG LEU A 77 4.732 -2.879 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.798 -2.754 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.353 -2.895 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.396 -4.312 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.840 -3.781 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.439 -5.380 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.425 -4.673 -0.176 1.00 0.00 H new ATOM 1149 N GLU A 78 0.904 -5.128 2.606 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.187 -5.877 3.219 1.00 0.00 C ATOM 1151 C GLU A 78 -1.402 -4.982 3.446 1.00 0.00 C ATOM 1152 O GLU A 78 -1.267 -3.776 3.653 1.00 0.00 O ATOM 1153 CB GLU A 78 0.266 -6.486 4.548 1.00 0.00 C ATOM 1154 CG GLU A 78 1.590 -7.227 4.458 1.00 0.00 C ATOM 1155 CD GLU A 78 1.962 -7.916 5.756 1.00 0.00 C ATOM 1156 OE1 GLU A 78 1.105 -7.980 6.662 1.00 0.00 O ATOM 1157 OE2 GLU A 78 3.111 -8.393 5.866 1.00 0.00 O ATOM 0 H GLU A 78 0.959 -4.151 2.893 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.470 -6.679 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.353 -5.693 5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.502 -7.173 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.534 -7.968 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.377 -6.524 4.185 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.587 -5.582 3.403 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.825 -4.840 3.604 1.00 0.00 C ATOM 1166 C ILE A 79 -4.880 -5.705 4.286 1.00 0.00 C ATOM 1167 O ILE A 79 -5.027 -6.885 3.973 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.391 -4.317 2.270 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.545 -3.151 1.754 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.841 -3.891 2.441 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.977 -2.646 0.396 1.00 0.00 C ATOM 0 H ILE A 79 -2.716 -6.579 3.231 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.584 -3.992 4.245 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.353 -5.122 1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.595 -2.331 2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.502 -3.465 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.227 -3.524 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.435 -4.744 2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.902 -3.099 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.333 -1.820 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.900 -3.452 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.010 -2.301 0.448 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.613 -5.107 5.220 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.656 -5.823 5.947 1.00 0.00 C ATOM 1185 C ASN A 80 -6.264 -7.281 6.166 1.00 0.00 C ATOM 1186 O ASN A 80 -7.041 -8.192 5.884 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.980 -5.748 5.185 1.00 0.00 C ATOM 1188 CG ASN A 80 -9.145 -6.281 5.996 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.561 -7.427 5.826 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -9.678 -5.449 6.884 1.00 0.00 N ATOM 0 H ASN A 80 -5.504 -4.130 5.491 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.777 -5.348 6.921 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.178 -4.713 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.896 -6.316 4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.464 -5.752 7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.301 -4.507 6.991 1.00 0.00 H new ATOM 1197 N ASN A 81 -5.053 -7.493 6.670 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.557 -8.840 6.927 1.00 0.00 C ATOM 1199 C ASN A 81 -4.494 -9.652 5.637 1.00 0.00 C ATOM 1200 O ASN A 81 -5.049 -10.747 5.554 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.451 -9.550 7.946 1.00 0.00 C ATOM 1202 CG ASN A 81 -5.156 -9.121 9.371 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -4.810 -7.968 9.625 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -5.293 -10.052 10.308 1.00 0.00 N ATOM 0 H ASN A 81 -4.397 -6.749 6.909 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.549 -8.757 7.333 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.496 -9.342 7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.313 -10.628 7.858 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.109 -9.823 11.285 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.582 -10.996 10.051 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.814 -9.107 4.634 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.678 -9.781 3.348 1.00 0.00 C ATOM 1213 C GLN A 82 -2.486 -9.234 2.570 1.00 0.00 C ATOM 1214 O GLN A 82 -2.503 -8.092 2.109 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.958 -9.616 2.525 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.109 -10.481 3.012 1.00 0.00 C ATOM 1217 CD GLN A 82 -7.209 -10.624 1.978 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -8.378 -10.356 2.258 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -6.841 -11.048 0.775 1.00 0.00 N ATOM 0 H GLN A 82 -3.349 -8.201 4.687 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.509 -10.841 3.537 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.264 -8.570 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.745 -9.861 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.731 -11.469 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.525 -10.048 3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.861 -11.259 0.586 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.538 -11.163 0.039 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.452 -10.057 2.427 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.252 -9.656 1.704 1.00 0.00 C ATOM 1230 C ILE A 83 -0.539 -9.476 0.217 1.00 0.00 C ATOM 1231 O ILE A 83 -1.144 -10.341 -0.418 1.00 0.00 O ATOM 1232 CB ILE A 83 0.880 -10.687 1.875 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.151 -10.936 3.361 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.142 -10.209 1.174 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.271 -11.921 3.613 1.00 0.00 C ATOM 0 H ILE A 83 -1.422 -11.005 2.802 1.00 0.00 H new ATOM 0 HA ILE A 83 0.067 -8.704 2.128 1.00 0.00 H new ATOM 0 HB ILE A 83 0.568 -11.627 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.396 -9.989 3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.240 -11.306 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.933 -10.948 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.940 -10.077 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.459 -9.259 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.408 -12.049 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.020 -12.881 3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.194 -11.544 3.172 1.00 0.00 H new ATOM 1247 N LEU A 84 -0.101 -8.349 -0.333 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.310 -8.056 -1.746 1.00 0.00 C ATOM 1249 C LEU A 84 0.930 -8.405 -2.563 1.00 0.00 C ATOM 1250 O LEU A 84 0.851 -8.608 -3.775 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.660 -6.579 -1.935 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.640 -5.987 -0.921 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.848 -4.503 -1.184 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.967 -6.730 -0.965 1.00 0.00 C ATOM 0 H LEU A 84 0.401 -7.623 0.178 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.140 -8.668 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.263 -6.000 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.079 -6.450 -2.933 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.215 -6.102 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.548 -4.099 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.895 -3.982 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.251 -4.364 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.652 -6.295 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.398 -6.647 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.804 -7.781 -0.727 1.00 0.00 H new ATOM 1266 N TYR A 85 2.074 -8.474 -1.892 1.00 0.00 N ATOM 1267 CA TYR A 85 3.331 -8.799 -2.556 1.00 0.00 C ATOM 1268 C TYR A 85 3.192 -10.063 -3.398 1.00 0.00 C ATOM 1269 O TYR A 85 3.211 -11.176 -2.876 1.00 0.00 O ATOM 1270 CB TYR A 85 4.445 -8.980 -1.523 1.00 0.00 C ATOM 1271 CG TYR A 85 5.803 -9.239 -2.137 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.141 -10.498 -2.618 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.748 -8.225 -2.233 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.380 -10.739 -3.179 1.00 0.00 C ATOM 1275 CE2 TYR A 85 7.989 -8.457 -2.794 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.301 -9.715 -3.264 1.00 0.00 C ATOM 1277 OH TYR A 85 9.537 -9.950 -3.822 1.00 0.00 O ATOM 0 H TYR A 85 2.157 -8.309 -0.889 1.00 0.00 H new ATOM 0 HA TYR A 85 3.588 -7.971 -3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.501 -8.087 -0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.188 -9.811 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.423 -11.302 -2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.508 -7.239 -1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.626 -11.723 -3.549 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.711 -7.657 -2.864 1.00 0.00 H new ATOM 0 HH TYR A 85 10.065 -9.125 -3.806 1.00 0.00 H new ATOM 1287 N GLY A 86 3.053 -9.881 -4.708 1.00 0.00 N ATOM 1288 CA GLY A 86 2.914 -11.014 -5.604 1.00 0.00 C ATOM 1289 C GLY A 86 1.657 -10.935 -6.448 1.00 0.00 C ATOM 1290 O GLY A 86 1.624 -11.436 -7.572 1.00 0.00 O ATOM 0 H GLY A 86 3.034 -8.969 -5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.784 -11.065 -6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.899 -11.935 -5.021 1.00 0.00 H new ATOM 1294 N ARG A 87 0.621 -10.305 -5.906 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.645 -10.164 -6.616 1.00 0.00 C ATOM 1296 C ARG A 87 -0.671 -8.874 -7.431 1.00 0.00 C ATOM 1297 O ARG A 87 0.185 -8.005 -7.263 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.813 -10.180 -5.628 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.932 -11.477 -4.845 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.929 -11.350 -3.704 1.00 0.00 C ATOM 1301 NE ARG A 87 -3.515 -12.638 -3.344 1.00 0.00 N ATOM 1302 CZ ARG A 87 -4.639 -12.764 -2.647 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -5.294 -11.687 -2.238 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -5.110 -13.971 -2.358 1.00 0.00 N ATOM 0 H ARG A 87 0.633 -9.884 -4.977 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.745 -11.007 -7.300 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.697 -9.353 -4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.741 -10.008 -6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.243 -12.280 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.956 -11.754 -4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.431 -10.922 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.721 -10.658 -3.990 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.036 -13.487 -3.644 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.935 -10.758 -2.458 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.157 -11.787 -1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.609 -14.802 -2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.973 -14.067 -1.823 1.00 0.00 H new ATOM 1318 N SER A 88 -1.657 -8.758 -8.314 1.00 0.00 N ATOM 1319 CA SER A 88 -1.792 -7.576 -9.158 1.00 0.00 C ATOM 1320 C SER A 88 -2.591 -6.489 -8.446 1.00 0.00 C ATOM 1321 O SER A 88 -3.490 -6.779 -7.656 1.00 0.00 O ATOM 1322 CB SER A 88 -2.472 -7.942 -10.479 1.00 0.00 C ATOM 1323 OG SER A 88 -2.286 -6.925 -11.447 1.00 0.00 O ATOM 0 H SER A 88 -2.374 -9.468 -8.464 1.00 0.00 H new ATOM 0 HA SER A 88 -0.793 -7.192 -9.366 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.066 -8.882 -10.852 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.538 -8.099 -10.312 1.00 0.00 H new ATOM 0 HG SER A 88 -2.728 -7.184 -12.282 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.255 -5.234 -8.732 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.941 -4.102 -8.120 1.00 0.00 C ATOM 1331 C HIS A 89 -4.454 -4.295 -8.160 1.00 0.00 C ATOM 1332 O HIS A 89 -5.162 -3.915 -7.229 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.562 -2.803 -8.833 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.757 -2.856 -10.317 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -3.953 -2.549 -10.930 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -1.899 -3.183 -11.312 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -3.823 -2.685 -12.238 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -2.586 -3.068 -12.496 1.00 0.00 N ATOM 0 H HIS A 89 -1.513 -4.976 -9.383 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.628 -4.041 -7.078 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.159 -1.987 -8.425 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.518 -2.572 -8.620 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.867 -3.479 -11.196 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.597 -2.512 -12.971 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.203 -3.249 -13.424 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.940 -4.889 -9.246 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.369 -5.131 -9.407 1.00 0.00 C ATOM 1349 C GLN A 90 -6.937 -5.863 -8.196 1.00 0.00 C ATOM 1350 O GLN A 90 -8.039 -5.563 -7.739 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.630 -5.943 -10.677 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.590 -5.111 -11.949 1.00 0.00 C ATOM 1353 CD GLN A 90 -6.512 -5.963 -13.201 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -6.629 -7.187 -13.141 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -6.314 -5.318 -14.345 1.00 0.00 N ATOM 0 H GLN A 90 -4.366 -5.211 -10.026 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.868 -4.166 -9.492 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.888 -6.738 -10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.605 -6.423 -10.597 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.480 -4.483 -11.996 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.730 -4.443 -11.915 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.223 -4.302 -14.348 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.253 -5.839 -15.220 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.178 -6.825 -7.682 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.607 -7.601 -6.524 1.00 0.00 C ATOM 1366 C ASN A 91 -6.660 -6.728 -5.274 1.00 0.00 C ATOM 1367 O ASN A 91 -7.655 -6.723 -4.550 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.660 -8.781 -6.296 1.00 0.00 C ATOM 1369 CG ASN A 91 -6.012 -9.979 -7.156 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -7.000 -9.962 -7.891 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -5.202 -11.028 -7.069 1.00 0.00 N ATOM 0 H ASN A 91 -5.263 -7.086 -8.049 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.609 -7.981 -6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.638 -8.470 -6.512 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.690 -9.070 -5.245 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.388 -11.863 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.394 -10.999 -6.447 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.582 -5.991 -5.027 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.507 -5.112 -3.867 1.00 0.00 C ATOM 1380 C ALA A 92 -6.816 -4.356 -3.665 1.00 0.00 C ATOM 1381 O ALA A 92 -7.485 -4.516 -2.643 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.350 -4.136 -4.018 1.00 0.00 C ATOM 0 H ALA A 92 -4.749 -5.985 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.335 -5.729 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.306 -3.486 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.415 -4.690 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.498 -3.532 -4.913 1.00 0.00 H new ATOM 1388 N SER A 93 -7.177 -3.533 -4.644 1.00 0.00 N ATOM 1389 CA SER A 93 -8.404 -2.749 -4.571 1.00 0.00 C ATOM 1390 C SER A 93 -9.578 -3.619 -4.132 1.00 0.00 C ATOM 1391 O SER A 93 -10.469 -3.162 -3.417 1.00 0.00 O ATOM 1392 CB SER A 93 -8.707 -2.110 -5.927 1.00 0.00 C ATOM 1393 OG SER A 93 -9.793 -1.204 -5.833 1.00 0.00 O ATOM 0 H SER A 93 -6.637 -3.392 -5.498 1.00 0.00 H new ATOM 0 HA SER A 93 -8.260 -1.962 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.823 -1.586 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.940 -2.887 -6.655 1.00 0.00 H new ATOM 0 HG SER A 93 -9.966 -0.808 -6.713 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.572 -4.874 -4.567 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.634 -5.809 -4.218 1.00 0.00 C ATOM 1401 C ALA A 94 -10.661 -6.074 -2.716 1.00 0.00 C ATOM 1402 O ALA A 94 -11.726 -6.082 -2.097 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.463 -7.113 -4.983 1.00 0.00 C ATOM 0 H ALA A 94 -8.843 -5.267 -5.162 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.586 -5.359 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.263 -7.801 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.502 -6.914 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.501 -7.559 -4.732 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.485 -6.292 -2.138 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.375 -6.557 -0.709 1.00 0.00 C ATOM 1411 C ILE A 95 -9.953 -5.407 0.110 1.00 0.00 C ATOM 1412 O ILE A 95 -10.676 -5.626 1.082 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.911 -6.785 -0.290 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.329 -7.993 -1.028 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.815 -6.982 1.216 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.821 -8.078 -0.952 1.00 0.00 C ATOM 0 H ILE A 95 -8.595 -6.290 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.947 -7.464 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.330 -5.903 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.758 -8.904 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.630 -7.949 -2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.774 -7.142 1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.195 -6.096 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.407 -7.850 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.478 -8.958 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.383 -7.184 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.513 -8.154 0.091 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.630 -4.182 -0.291 1.00 0.00 N ATOM 1429 CA ILE A 96 -10.120 -2.998 0.404 1.00 0.00 C ATOM 1430 C ILE A 96 -11.642 -2.925 0.360 1.00 0.00 C ATOM 1431 O ILE A 96 -12.291 -2.640 1.367 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.538 -1.708 -0.204 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -8.024 -1.656 0.009 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -10.207 -0.486 0.407 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.331 -0.605 -0.830 1.00 0.00 C ATOM 0 H ILE A 96 -9.032 -3.984 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.793 -3.082 1.440 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.735 -1.708 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.820 -1.461 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.599 -2.633 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.785 0.418 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.278 -0.520 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.038 -0.479 1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.260 -0.625 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.504 -0.810 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.729 0.379 -0.582 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.208 -3.186 -0.813 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.656 -3.154 -0.989 1.00 0.00 C ATOM 1449 C LYS A 97 -14.348 -4.051 0.032 1.00 0.00 C ATOM 1450 O LYS A 97 -15.356 -3.669 0.627 1.00 0.00 O ATOM 1451 CB LYS A 97 -14.027 -3.596 -2.407 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.318 -2.978 -2.917 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.510 -3.237 -4.402 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.612 -2.343 -5.245 1.00 0.00 C ATOM 1455 NZ LYS A 97 -14.563 -2.788 -6.665 1.00 0.00 N ATOM 0 H LYS A 97 -11.686 -3.422 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.994 -2.129 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.215 -3.333 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.120 -4.682 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.163 -3.388 -2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.306 -1.904 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.293 -4.283 -4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.552 -3.065 -4.671 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -14.975 -1.316 -5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.605 -2.344 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.941 -2.154 -7.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.193 -3.759 -6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.521 -2.763 -7.070 1.00 0.00 H new ATOM 1469 N THR A 98 -13.800 -5.246 0.232 1.00 0.00 N ATOM 1470 CA THR A 98 -14.365 -6.196 1.181 1.00 0.00 C ATOM 1471 C THR A 98 -14.029 -5.806 2.616 1.00 0.00 C ATOM 1472 O THR A 98 -14.760 -6.140 3.547 1.00 0.00 O ATOM 1473 CB THR A 98 -13.854 -7.625 0.917 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.447 -7.698 1.173 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.135 -8.043 -0.519 1.00 0.00 C ATOM 0 H THR A 98 -12.965 -5.578 -0.251 1.00 0.00 H new ATOM 0 HA THR A 98 -15.446 -6.173 1.045 1.00 0.00 H new ATOM 0 HB THR A 98 -14.380 -8.305 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.049 -6.808 1.070 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.765 -9.055 -0.682 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.209 -8.015 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.632 -7.359 -1.202 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.919 -5.096 2.786 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.488 -4.658 4.108 1.00 0.00 C ATOM 1485 C ALA A 99 -13.437 -3.608 4.675 1.00 0.00 C ATOM 1486 O ALA A 99 -14.046 -2.827 3.943 1.00 0.00 O ATOM 1487 CB ALA A 99 -11.069 -4.111 4.046 1.00 0.00 C ATOM 0 H ALA A 99 -12.302 -4.812 2.025 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.504 -5.522 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.760 -3.788 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.394 -4.890 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.035 -3.263 3.362 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.568 -3.586 6.010 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.442 -2.636 6.704 1.00 0.00 C ATOM 1495 C PRO A 100 -13.916 -1.207 6.635 1.00 0.00 C ATOM 1496 O PRO A 100 -12.800 -0.968 6.175 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.435 -3.139 8.150 1.00 0.00 C ATOM 1498 CG PRO A 100 -13.147 -3.874 8.289 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.872 -4.487 6.944 1.00 0.00 C ATOM 0 HA PRO A 100 -15.435 -2.595 6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.497 -2.312 8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -15.286 -3.791 8.347 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.343 -3.199 8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -13.217 -4.641 9.060 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.803 -4.535 6.735 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.255 -5.505 6.881 1.00 0.00 H new ATOM 1507 N SER A 101 -14.728 -0.260 7.094 1.00 0.00 N ATOM 1508 CA SER A 101 -14.345 1.147 7.081 1.00 0.00 C ATOM 1509 C SER A 101 -12.866 1.311 7.418 1.00 0.00 C ATOM 1510 O SER A 101 -12.071 1.743 6.583 1.00 0.00 O ATOM 1511 CB SER A 101 -15.197 1.939 8.075 1.00 0.00 C ATOM 1512 OG SER A 101 -16.548 2.000 7.653 1.00 0.00 O ATOM 0 H SER A 101 -15.655 -0.441 7.479 1.00 0.00 H new ATOM 0 HA SER A 101 -14.516 1.535 6.077 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.141 1.473 9.059 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.799 2.948 8.177 1.00 0.00 H new ATOM 0 HG SER A 101 -17.072 2.510 8.306 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.504 0.964 8.648 1.00 0.00 N ATOM 1519 CA LYS A 102 -11.121 1.070 9.098 1.00 0.00 C ATOM 1520 C LYS A 102 -10.274 -0.060 8.523 1.00 0.00 C ATOM 1521 O LYS A 102 -10.569 -1.238 8.728 1.00 0.00 O ATOM 1522 CB LYS A 102 -11.057 1.043 10.627 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.695 1.417 11.185 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.806 1.982 12.592 1.00 0.00 C ATOM 1525 CE LYS A 102 -10.172 3.458 12.573 1.00 0.00 C ATOM 1526 NZ LYS A 102 -10.218 4.035 13.945 1.00 0.00 N ATOM 0 H LYS A 102 -13.150 0.607 9.352 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.720 2.019 8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.805 1.729 11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.322 0.045 10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.051 0.538 11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.223 2.152 10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.560 1.426 13.150 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.859 1.848 13.115 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.445 4.005 11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.142 3.586 12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.471 5.042 13.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.930 3.530 14.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.285 3.936 14.395 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.217 0.305 7.803 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.325 -0.678 7.201 1.00 0.00 C ATOM 1542 C VAL A 103 -6.865 -0.339 7.479 1.00 0.00 C ATOM 1543 O VAL A 103 -6.483 0.831 7.510 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.538 -0.771 5.678 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.710 -1.904 5.091 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -10.013 -0.955 5.357 1.00 0.00 C ATOM 0 H VAL A 103 -8.958 1.275 7.623 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.564 -1.641 7.653 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.205 0.162 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.873 -1.954 4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.654 -1.723 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.009 -2.848 5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.145 -1.019 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.375 -1.872 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.578 -0.106 5.742 1.00 0.00 H new ATOM 1556 N LYS A 104 -6.052 -1.370 7.681 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.632 -1.183 7.956 1.00 0.00 C ATOM 1558 C LYS A 104 -3.812 -1.289 6.674 1.00 0.00 C ATOM 1559 O LYS A 104 -3.909 -2.275 5.942 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.147 -2.221 8.971 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.733 -1.972 9.466 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.341 -2.960 10.552 1.00 0.00 C ATOM 1563 CE LYS A 104 -0.866 -2.842 10.907 1.00 0.00 C ATOM 1564 NZ LYS A 104 -0.008 -3.625 9.976 1.00 0.00 N ATOM 0 H LYS A 104 -6.352 -2.345 7.659 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.496 -0.185 8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.826 -2.228 9.824 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.195 -3.211 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.035 -2.051 8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.655 -0.956 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.946 -2.783 11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.556 -3.975 10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.569 -1.794 10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.709 -3.192 11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.903 -3.140 9.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.155 -4.574 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.483 -3.710 9.055 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.005 -0.268 6.409 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.166 -0.246 5.215 1.00 0.00 C ATOM 1580 C LEU A 105 -0.687 -0.276 5.589 1.00 0.00 C ATOM 1581 O LEU A 105 -0.207 0.576 6.337 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.467 0.998 4.378 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.928 1.198 3.975 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.224 2.674 3.757 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.250 0.397 2.723 1.00 0.00 C ATOM 0 H LEU A 105 -2.913 0.555 7.004 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.392 -1.135 4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.142 1.875 4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.863 0.956 3.471 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.561 0.837 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.268 2.797 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.033 3.223 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.583 3.061 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.294 0.551 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.609 0.727 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.078 -0.662 2.914 1.00 0.00 H new ATOM 1597 N VAL A 106 0.032 -1.262 5.061 1.00 0.00 N ATOM 1598 CA VAL A 106 1.457 -1.402 5.336 1.00 0.00 C ATOM 1599 C VAL A 106 2.281 -1.231 4.065 1.00 0.00 C ATOM 1600 O VAL A 106 2.406 -2.158 3.264 1.00 0.00 O ATOM 1601 CB VAL A 106 1.776 -2.772 5.962 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.272 -2.918 6.194 1.00 0.00 C ATOM 1603 CG2 VAL A 106 1.007 -2.957 7.261 1.00 0.00 C ATOM 0 H VAL A 106 -0.350 -1.976 4.440 1.00 0.00 H new ATOM 0 HA VAL A 106 1.721 -0.617 6.045 1.00 0.00 H new ATOM 0 HB VAL A 106 1.462 -3.551 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.478 -3.892 6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.798 -2.833 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.614 -2.133 6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.245 -3.931 7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.287 -2.173 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.063 -2.900 7.062 1.00 0.00 H new ATOM 1613 N PHE A 107 2.843 -0.040 3.886 1.00 0.00 N ATOM 1614 CA PHE A 107 3.656 0.253 2.711 1.00 0.00 C ATOM 1615 C PHE A 107 5.041 0.745 3.117 1.00 0.00 C ATOM 1616 O PHE A 107 5.318 0.946 4.301 1.00 0.00 O ATOM 1617 CB PHE A 107 2.966 1.301 1.836 1.00 0.00 C ATOM 1618 CG PHE A 107 2.975 2.680 2.432 1.00 0.00 C ATOM 1619 CD1 PHE A 107 4.131 3.444 2.425 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.829 3.212 2.998 1.00 0.00 C ATOM 1621 CE1 PHE A 107 4.143 4.712 2.973 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.834 4.480 3.548 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.993 5.232 3.534 1.00 0.00 C ATOM 0 H PHE A 107 2.750 0.738 4.539 1.00 0.00 H new ATOM 0 HA PHE A 107 3.770 -0.668 2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.457 1.331 0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 107 1.934 0.996 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 107 5.033 3.044 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.920 2.629 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.051 5.296 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.933 4.882 3.988 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.000 6.224 3.961 1.00 0.00 H new ATOM 1633 N ILE A 108 5.908 0.938 2.129 1.00 0.00 N ATOM 1634 CA ILE A 108 7.264 1.407 2.383 1.00 0.00 C ATOM 1635 C ILE A 108 7.502 2.772 1.745 1.00 0.00 C ATOM 1636 O ILE A 108 6.897 3.107 0.727 1.00 0.00 O ATOM 1637 CB ILE A 108 8.313 0.414 1.849 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.725 0.900 2.183 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.152 0.230 0.347 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.721 -0.222 2.373 1.00 0.00 C ATOM 0 H ILE A 108 5.695 0.777 1.145 1.00 0.00 H new ATOM 0 HA ILE A 108 7.372 1.490 3.465 1.00 0.00 H new ATOM 0 HB ILE A 108 8.157 -0.550 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.074 1.553 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.688 1.500 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.900 -0.475 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.156 -0.157 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.284 1.189 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.700 0.196 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.395 -0.863 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.787 -0.809 1.457 1.00 0.00 H new ATOM 1652 N ARG A 109 8.389 3.555 2.351 1.00 0.00 N ATOM 1653 CA ARG A 109 8.708 4.883 1.842 1.00 0.00 C ATOM 1654 C ARG A 109 10.122 4.921 1.270 1.00 0.00 C ATOM 1655 O ARG A 109 11.102 4.972 2.012 1.00 0.00 O ATOM 1656 CB ARG A 109 8.568 5.925 2.953 1.00 0.00 C ATOM 1657 CG ARG A 109 8.638 7.360 2.455 1.00 0.00 C ATOM 1658 CD ARG A 109 7.945 8.316 3.413 1.00 0.00 C ATOM 1659 NE ARG A 109 7.454 9.512 2.733 1.00 0.00 N ATOM 1660 CZ ARG A 109 8.216 10.562 2.451 1.00 0.00 C ATOM 1661 NH1 ARG A 109 9.498 10.565 2.789 1.00 0.00 N ATOM 1662 NH2 ARG A 109 7.696 11.613 1.830 1.00 0.00 N ATOM 0 H ARG A 109 8.899 3.293 3.194 1.00 0.00 H new ATOM 0 HA ARG A 109 8.005 5.117 1.043 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.618 5.773 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.355 5.766 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.681 7.655 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.173 7.428 1.471 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.112 7.805 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.640 8.606 4.201 1.00 0.00 H new ATOM 0 HE ARG A 109 6.472 9.542 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.901 9.759 3.267 1.00 0.00 H new ATOM 0 HH12 ARG A 109 10.081 11.373 2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.710 11.615 1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.282 12.419 1.614 1.00 0.00 H new ATOM 1676 N ASN A 110 10.219 4.896 -0.056 1.00 0.00 N ATOM 1677 CA ASN A 110 11.513 4.926 -0.728 1.00 0.00 C ATOM 1678 C ASN A 110 11.535 5.994 -1.817 1.00 0.00 C ATOM 1679 O ASN A 110 10.588 6.125 -2.591 1.00 0.00 O ATOM 1680 CB ASN A 110 11.829 3.557 -1.334 1.00 0.00 C ATOM 1681 CG ASN A 110 13.290 3.416 -1.713 1.00 0.00 C ATOM 1682 OD1 ASN A 110 14.131 4.212 -1.297 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.599 2.398 -2.509 1.00 0.00 N ATOM 0 H ASN A 110 9.417 4.855 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 110 12.274 5.172 0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.565 2.777 -0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.211 3.403 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.566 2.252 -2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.869 1.762 -2.830 1.00 0.00 H new ATOM 1690 N GLU A 111 12.624 6.755 -1.870 1.00 0.00 N ATOM 1691 CA GLU A 111 12.769 7.811 -2.865 1.00 0.00 C ATOM 1692 C GLU A 111 13.025 7.224 -4.250 1.00 0.00 C ATOM 1693 O GLU A 111 12.890 7.911 -5.262 1.00 0.00 O ATOM 1694 CB GLU A 111 13.913 8.752 -2.479 1.00 0.00 C ATOM 1695 CG GLU A 111 15.281 8.091 -2.506 1.00 0.00 C ATOM 1696 CD GLU A 111 16.414 9.089 -2.377 1.00 0.00 C ATOM 1697 OE1 GLU A 111 16.518 9.736 -1.314 1.00 0.00 O ATOM 1698 OE2 GLU A 111 17.198 9.224 -3.340 1.00 0.00 O ATOM 0 H GLU A 111 13.418 6.660 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 111 11.837 8.376 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.917 9.604 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.728 9.144 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.346 7.366 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.394 7.537 -3.438 1.00 0.00 H new ATOM 1705 N ASP A 112 13.395 5.949 -4.285 1.00 0.00 N ATOM 1706 CA ASP A 112 13.669 5.267 -5.545 1.00 0.00 C ATOM 1707 C ASP A 112 12.390 4.685 -6.138 1.00 0.00 C ATOM 1708 O ASP A 112 12.283 4.503 -7.350 1.00 0.00 O ATOM 1709 CB ASP A 112 14.700 4.157 -5.335 1.00 0.00 C ATOM 1710 CG ASP A 112 16.123 4.645 -5.523 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.550 5.538 -4.760 1.00 0.00 O ATOM 1712 OD2 ASP A 112 16.811 4.134 -6.431 1.00 0.00 O ATOM 0 H ASP A 112 13.512 5.367 -3.456 1.00 0.00 H new ATOM 0 HA ASP A 112 14.072 5.999 -6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.589 3.748 -4.331 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.502 3.345 -6.034 1.00 0.00 H new ATOM 1717 N ALA A 113 11.423 4.393 -5.274 1.00 0.00 N ATOM 1718 CA ALA A 113 10.151 3.833 -5.712 1.00 0.00 C ATOM 1719 C ALA A 113 9.562 4.641 -6.863 1.00 0.00 C ATOM 1720 O ALA A 113 9.161 4.084 -7.885 1.00 0.00 O ATOM 1721 CB ALA A 113 9.171 3.775 -4.550 1.00 0.00 C ATOM 0 H ALA A 113 11.497 4.535 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 113 10.333 2.820 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.225 3.355 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.582 3.148 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.003 4.781 -4.165 1.00 0.00 H new ATOM 1727 N VAL A 114 9.512 5.958 -6.691 1.00 0.00 N ATOM 1728 CA VAL A 114 8.972 6.844 -7.716 1.00 0.00 C ATOM 1729 C VAL A 114 9.582 6.541 -9.080 1.00 0.00 C ATOM 1730 O VAL A 114 8.960 6.778 -10.115 1.00 0.00 O ATOM 1731 CB VAL A 114 9.225 8.323 -7.369 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.600 8.671 -6.027 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.716 8.622 -7.366 1.00 0.00 C ATOM 0 H VAL A 114 9.839 6.435 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 114 7.897 6.667 -7.754 1.00 0.00 H new ATOM 0 HB VAL A 114 8.755 8.943 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.789 9.720 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.525 8.497 -6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.038 8.046 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.876 9.671 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.211 7.995 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.131 8.414 -8.352 1.00 0.00 H new ATOM 1743 N ASN A 115 10.802 6.015 -9.073 1.00 0.00 N ATOM 1744 CA ASN A 115 11.497 5.680 -10.311 1.00 0.00 C ATOM 1745 C ASN A 115 11.164 4.258 -10.753 1.00 0.00 C ATOM 1746 O ASN A 115 11.035 3.984 -11.946 1.00 0.00 O ATOM 1747 CB ASN A 115 13.009 5.828 -10.128 1.00 0.00 C ATOM 1748 CG ASN A 115 13.401 7.218 -9.664 1.00 0.00 C ATOM 1749 OD1 ASN A 115 12.829 8.215 -10.102 1.00 0.00 O ATOM 1750 ND2 ASN A 115 14.384 7.288 -8.773 1.00 0.00 N ATOM 0 H ASN A 115 11.330 5.811 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 115 11.162 6.371 -11.085 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.358 5.094 -9.402 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.510 5.608 -11.071 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.693 8.196 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 115 14.830 6.434 -8.437 1.00 0.00 H new ATOM 1757 N GLN A 116 11.025 3.360 -9.784 1.00 0.00 N ATOM 1758 CA GLN A 116 10.707 1.967 -10.074 1.00 0.00 C ATOM 1759 C GLN A 116 9.291 1.835 -10.625 1.00 0.00 C ATOM 1760 O GLN A 116 9.088 1.321 -11.725 1.00 0.00 O ATOM 1761 CB GLN A 116 10.858 1.114 -8.813 1.00 0.00 C ATOM 1762 CG GLN A 116 12.293 0.997 -8.326 1.00 0.00 C ATOM 1763 CD GLN A 116 13.277 0.773 -9.458 1.00 0.00 C ATOM 1764 OE1 GLN A 116 13.191 -0.217 -10.184 1.00 0.00 O ATOM 1765 NE2 GLN A 116 14.220 1.695 -9.613 1.00 0.00 N ATOM 0 H GLN A 116 11.127 3.572 -8.791 1.00 0.00 H new ATOM 0 HA GLN A 116 11.406 1.611 -10.831 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.247 1.543 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.468 0.116 -9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.565 1.905 -7.787 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.366 0.172 -7.617 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.254 2.500 -8.988 1.00 0.00 H new ATOM 0 HE22 GLN A 116 14.911 1.598 -10.357 1.00 0.00 H new ATOM 1774 N MET A 117 8.315 2.302 -9.854 1.00 0.00 N ATOM 1775 CA MET A 117 6.918 2.237 -10.266 1.00 0.00 C ATOM 1776 C MET A 117 6.737 2.816 -11.665 1.00 0.00 C ATOM 1777 O MET A 117 7.333 3.837 -12.007 1.00 0.00 O ATOM 1778 CB MET A 117 6.035 2.992 -9.271 1.00 0.00 C ATOM 1779 CG MET A 117 6.292 4.490 -9.245 1.00 0.00 C ATOM 1780 SD MET A 117 5.287 5.346 -8.016 1.00 0.00 S ATOM 1781 CE MET A 117 5.473 7.045 -8.551 1.00 0.00 C ATOM 0 H MET A 117 8.466 2.730 -8.940 1.00 0.00 H new ATOM 0 HA MET A 117 6.619 1.189 -10.284 1.00 0.00 H new ATOM 0 HB2 MET A 117 4.989 2.815 -9.520 1.00 0.00 H new ATOM 0 HB3 MET A 117 6.198 2.586 -8.273 1.00 0.00 H new ATOM 0 HG2 MET A 117 7.346 4.670 -9.036 1.00 0.00 H new ATOM 0 HG3 MET A 117 6.087 4.907 -10.231 1.00 0.00 H new ATOM 0 HE1 MET A 117 5.890 7.639 -7.738 1.00 0.00 H new ATOM 0 HE2 MET A 117 6.143 7.085 -9.410 1.00 0.00 H new ATOM 0 HE3 MET A 117 4.499 7.447 -8.831 1.00 0.00 H new ATOM 1791 N ALA A 118 5.910 2.157 -12.471 1.00 0.00 N ATOM 1792 CA ALA A 118 5.649 2.607 -13.832 1.00 0.00 C ATOM 1793 C ALA A 118 5.320 4.096 -13.864 1.00 0.00 C ATOM 1794 O ALA A 118 5.771 4.823 -14.749 1.00 0.00 O ATOM 1795 CB ALA A 118 4.515 1.800 -14.447 1.00 0.00 C ATOM 0 H ALA A 118 5.409 1.309 -12.204 1.00 0.00 H new ATOM 0 HA ALA A 118 6.553 2.449 -14.420 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.331 2.147 -15.464 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.789 0.745 -14.468 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.612 1.929 -13.851 1.00 0.00 H new