USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 60 TYR OH : rot -126:sc= 1.08 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 153:sc= 2.25 (180deg=-0.442) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -0.174 X(o=1.6,f=1.7) USER MOD Set 2.2: A 54 CYS SG : rot -13:sc= 0.792 USER MOD Set 2.3: A 55 THR OG1 : rot 80:sc= 0.964 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -164:sc= -0.0245 (180deg=-0.228) USER MOD Single : A 24 SER OG : rot -85:sc= 0.664 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc=-0.00448 (180deg=-0.113) USER MOD Single : A 27 MET CE :methyl -162:sc= -0.102 (180deg=-0.517) USER MOD Single : A 28 ASN : amide:sc= -0.755 K(o=-0.76,f=-4.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 34 ASN : amide:sc= -0.397 K(o=-0.4,f=-14!) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= 1.26 (180deg=0.675) USER MOD Single : A 42 MET CE :methyl 168:sc= -2.09 (180deg=-2.54) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -165:sc= -0.0478 (180deg=-0.361) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 70 THR OG1 : rot -67:sc= 0.924 USER MOD Single : A 71 GLN : amide:sc= -3.88! C(o=-3.9!,f=-2.4!) USER MOD Single : A 76 MET CE :methyl -161:sc= -0.201 (180deg=-0.708) USER MOD Single : A 82 MET CE :methyl -127:sc= -0.429 (180deg=-2.55!) USER MOD Single : A 83 GLN : amide:sc= 0.681 K(o=0.68,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 2.166 -15.387 -1.184 1.00 24.12 N ATOM 165 CA PRO A 11 2.936 -14.553 -0.264 1.00 44.02 C ATOM 166 C PRO A 11 2.342 -14.504 1.154 1.00 10.44 C ATOM 167 O PRO A 11 1.306 -13.868 1.392 1.00 24.23 O ATOM 168 CB PRO A 11 2.895 -13.154 -0.921 1.00 65.44 C ATOM 169 CG PRO A 11 2.118 -13.323 -2.196 1.00 13.14 C ATOM 170 CD PRO A 11 1.291 -14.566 -2.021 1.00 11.12 C ATOM 0 HA PRO A 11 3.943 -14.945 -0.122 1.00 44.02 H new ATOM 0 HB2 PRO A 11 2.416 -12.428 -0.265 1.00 65.44 H new ATOM 0 HB3 PRO A 11 3.901 -12.787 -1.122 1.00 65.44 H new ATOM 0 HG2 PRO A 11 1.484 -12.457 -2.383 1.00 13.14 H new ATOM 0 HG3 PRO A 11 2.788 -13.418 -3.051 1.00 13.14 H new ATOM 0 HD2 PRO A 11 0.337 -14.358 -1.536 1.00 11.12 H new ATOM 0 HD3 PRO A 11 1.067 -15.046 -2.973 1.00 11.12 H new ATOM 178 N ASN A 12 2.994 -15.188 2.095 1.00 43.21 N ATOM 179 CA ASN A 12 2.627 -15.093 3.515 1.00 54.22 C ATOM 180 C ASN A 12 2.860 -13.668 4.042 1.00 31.23 C ATOM 181 O ASN A 12 3.314 -12.798 3.300 1.00 22.43 O ATOM 182 CB ASN A 12 3.432 -16.099 4.346 1.00 42.34 C ATOM 183 CG ASN A 12 3.057 -17.538 4.039 1.00 54.33 C ATOM 184 OD1 ASN A 12 2.163 -18.104 4.661 1.00 2.24 O ATOM 185 ND2 ASN A 12 3.736 -18.145 3.089 1.00 21.11 N ATOM 0 H ASN A 12 3.777 -15.813 1.904 1.00 43.21 H new ATOM 0 HA ASN A 12 1.567 -15.329 3.608 1.00 54.22 H new ATOM 0 HB2 ASN A 12 4.495 -15.955 4.155 1.00 42.34 H new ATOM 0 HB3 ASN A 12 3.269 -15.903 5.406 1.00 42.34 H new ATOM 0 HD21 ASN A 12 3.525 -19.114 2.851 1.00 21.11 H new ATOM 0 HD22 ASN A 12 4.473 -17.646 2.591 1.00 21.11 H new ATOM 192 N GLU A 13 2.561 -13.439 5.319 1.00 0.41 N ATOM 193 CA GLU A 13 2.701 -12.105 5.921 1.00 12.21 C ATOM 194 C GLU A 13 4.066 -11.474 5.599 1.00 61.22 C ATOM 195 O GLU A 13 4.138 -10.372 5.055 1.00 13.52 O ATOM 196 CB GLU A 13 2.519 -12.190 7.442 1.00 0.10 C ATOM 197 CG GLU A 13 2.593 -10.839 8.149 1.00 4.41 C ATOM 198 CD GLU A 13 2.407 -10.949 9.653 1.00 30.25 C ATOM 199 OE1 GLU A 13 1.256 -11.101 10.104 1.00 64.25 O ATOM 200 OE2 GLU A 13 3.411 -10.882 10.393 1.00 33.25 O ATOM 0 H GLU A 13 2.220 -14.156 5.960 1.00 0.41 H new ATOM 0 HA GLU A 13 1.926 -11.470 5.492 1.00 12.21 H new ATOM 0 HB2 GLU A 13 1.555 -12.650 7.658 1.00 0.10 H new ATOM 0 HB3 GLU A 13 3.285 -12.847 7.854 1.00 0.10 H new ATOM 0 HG2 GLU A 13 3.558 -10.377 7.940 1.00 4.41 H new ATOM 0 HG3 GLU A 13 1.828 -10.178 7.741 1.00 4.41 H new ATOM 207 N GLU A 14 5.137 -12.195 5.911 1.00 12.11 N ATOM 208 CA GLU A 14 6.507 -11.716 5.672 1.00 24.24 C ATOM 209 C GLU A 14 6.773 -11.471 4.176 1.00 2.04 C ATOM 210 O GLU A 14 7.503 -10.552 3.807 1.00 12.43 O ATOM 211 CB GLU A 14 7.536 -12.730 6.208 1.00 74.42 C ATOM 212 CG GLU A 14 7.417 -13.038 7.704 1.00 4.33 C ATOM 213 CD GLU A 14 6.367 -14.095 8.041 1.00 72.53 C ATOM 214 OE1 GLU A 14 5.728 -14.645 7.117 1.00 60.23 O ATOM 215 OE2 GLU A 14 6.187 -14.393 9.242 1.00 15.43 O ATOM 0 H GLU A 14 5.089 -13.122 6.334 1.00 12.11 H new ATOM 0 HA GLU A 14 6.611 -10.769 6.202 1.00 24.24 H new ATOM 0 HB2 GLU A 14 7.432 -13.661 5.651 1.00 74.42 H new ATOM 0 HB3 GLU A 14 8.538 -12.349 6.009 1.00 74.42 H new ATOM 0 HG2 GLU A 14 8.386 -13.373 8.073 1.00 4.33 H new ATOM 0 HG3 GLU A 14 7.174 -12.118 8.235 1.00 4.33 H new ATOM 222 N ALA A 15 6.165 -12.292 3.320 1.00 12.43 N ATOM 223 CA ALA A 15 6.411 -12.232 1.875 1.00 43.14 C ATOM 224 C ALA A 15 5.684 -11.053 1.204 1.00 72.20 C ATOM 225 O ALA A 15 6.280 -10.316 0.420 1.00 24.13 O ATOM 226 CB ALA A 15 6.009 -13.548 1.221 1.00 33.14 C ATOM 0 H ALA A 15 5.496 -13.009 3.601 1.00 12.43 H new ATOM 0 HA ALA A 15 7.479 -12.068 1.733 1.00 43.14 H new ATOM 0 HB1 ALA A 15 6.195 -13.493 0.148 1.00 33.14 H new ATOM 0 HB2 ALA A 15 6.594 -14.361 1.650 1.00 33.14 H new ATOM 0 HB3 ALA A 15 4.949 -13.732 1.396 1.00 33.14 H new ATOM 232 N ARG A 16 4.397 -10.880 1.495 1.00 21.44 N ATOM 233 CA ARG A 16 3.636 -9.756 0.929 1.00 14.41 C ATOM 234 C ARG A 16 4.063 -8.417 1.553 1.00 50.31 C ATOM 235 O ARG A 16 4.086 -7.387 0.878 1.00 35.43 O ATOM 236 CB ARG A 16 2.122 -9.984 1.078 1.00 64.04 C ATOM 237 CG ARG A 16 1.635 -10.178 2.514 1.00 52.24 C ATOM 238 CD ARG A 16 0.173 -10.623 2.549 1.00 53.42 C ATOM 239 NE ARG A 16 -0.312 -10.856 3.910 1.00 43.11 N ATOM 240 CZ ARG A 16 -0.600 -12.030 4.401 1.00 13.12 C ATOM 241 NH1 ARG A 16 -0.404 -13.104 3.702 1.00 33.42 N ATOM 242 NH2 ARG A 16 -1.066 -12.129 5.603 1.00 34.44 N ATOM 0 H ARG A 16 3.860 -11.491 2.110 1.00 21.44 H new ATOM 0 HA ARG A 16 3.863 -9.706 -0.136 1.00 14.41 H new ATOM 0 HB2 ARG A 16 1.597 -9.133 0.645 1.00 64.04 H new ATOM 0 HB3 ARG A 16 1.843 -10.861 0.494 1.00 64.04 H new ATOM 0 HG2 ARG A 16 2.256 -10.922 3.014 1.00 52.24 H new ATOM 0 HG3 ARG A 16 1.747 -9.246 3.067 1.00 52.24 H new ATOM 0 HD2 ARG A 16 -0.446 -9.863 2.072 1.00 53.42 H new ATOM 0 HD3 ARG A 16 0.061 -11.537 1.966 1.00 53.42 H new ATOM 0 HE ARG A 16 -0.433 -10.045 4.516 1.00 43.11 H new ATOM 0 HH11 ARG A 16 -0.021 -13.036 2.759 1.00 33.42 H new ATOM 0 HH12 ARG A 16 -0.632 -14.017 4.095 1.00 33.42 H new ATOM 0 HH21 ARG A 16 -1.208 -11.290 6.166 1.00 34.44 H new ATOM 0 HH22 ARG A 16 -1.292 -13.046 5.989 1.00 34.44 H new ATOM 256 N LEU A 17 4.416 -8.441 2.839 1.00 11.50 N ATOM 257 CA LEU A 17 4.968 -7.255 3.510 1.00 4.13 C ATOM 258 C LEU A 17 6.334 -6.882 2.906 1.00 4.53 C ATOM 259 O LEU A 17 6.698 -5.708 2.835 1.00 41.33 O ATOM 260 CB LEU A 17 5.100 -7.509 5.021 1.00 50.43 C ATOM 261 CG LEU A 17 5.612 -6.321 5.855 1.00 64.40 C ATOM 262 CD1 LEU A 17 4.693 -5.113 5.707 1.00 73.43 C ATOM 263 CD2 LEU A 17 5.744 -6.718 7.323 1.00 33.40 C ATOM 0 H LEU A 17 4.332 -9.263 3.437 1.00 11.50 H new ATOM 0 HA LEU A 17 4.284 -6.420 3.357 1.00 4.13 H new ATOM 0 HB2 LEU A 17 4.125 -7.807 5.407 1.00 50.43 H new ATOM 0 HB3 LEU A 17 5.774 -8.352 5.172 1.00 50.43 H new ATOM 0 HG LEU A 17 6.597 -6.043 5.480 1.00 64.40 H new ATOM 0 HD11 LEU A 17 5.077 -4.288 6.306 1.00 73.43 H new ATOM 0 HD12 LEU A 17 4.652 -4.813 4.660 1.00 73.43 H new ATOM 0 HD13 LEU A 17 3.691 -5.374 6.049 1.00 73.43 H new ATOM 0 HD21 LEU A 17 6.107 -5.867 7.899 1.00 33.40 H new ATOM 0 HD22 LEU A 17 4.771 -7.026 7.705 1.00 33.40 H new ATOM 0 HD23 LEU A 17 6.448 -7.545 7.414 1.00 33.40 H new ATOM 275 N ASP A 18 7.078 -7.899 2.471 1.00 44.40 N ATOM 276 CA ASP A 18 8.359 -7.708 1.778 1.00 13.11 C ATOM 277 C ASP A 18 8.185 -6.816 0.533 1.00 41.24 C ATOM 278 O ASP A 18 8.878 -5.806 0.365 1.00 1.11 O ATOM 279 CB ASP A 18 8.911 -9.082 1.377 1.00 25.01 C ATOM 280 CG ASP A 18 10.308 -9.024 0.792 1.00 34.34 C ATOM 281 OD1 ASP A 18 11.280 -9.062 1.575 1.00 42.24 O ATOM 282 OD2 ASP A 18 10.437 -8.976 -0.449 1.00 33.15 O ATOM 0 H ASP A 18 6.813 -8.877 2.587 1.00 44.40 H new ATOM 0 HA ASP A 18 9.059 -7.207 2.447 1.00 13.11 H new ATOM 0 HB2 ASP A 18 8.919 -9.731 2.252 1.00 25.01 H new ATOM 0 HB3 ASP A 18 8.239 -9.536 0.649 1.00 25.01 H new ATOM 287 N ILE A 19 7.229 -7.187 -0.316 1.00 13.41 N ATOM 288 CA ILE A 19 6.900 -6.416 -1.521 1.00 1.42 C ATOM 289 C ILE A 19 6.464 -4.983 -1.159 1.00 54.01 C ATOM 290 O ILE A 19 6.906 -4.004 -1.776 1.00 21.34 O ATOM 291 CB ILE A 19 5.755 -7.097 -2.310 1.00 23.14 C ATOM 292 CG1 ILE A 19 6.048 -8.594 -2.508 1.00 63.45 C ATOM 293 CG2 ILE A 19 5.547 -6.406 -3.658 1.00 22.14 C ATOM 294 CD1 ILE A 19 4.855 -9.385 -3.001 1.00 72.23 C ATOM 0 H ILE A 19 6.661 -8.025 -0.193 1.00 13.41 H new ATOM 0 HA ILE A 19 7.799 -6.376 -2.136 1.00 1.42 H new ATOM 0 HB ILE A 19 4.837 -7.003 -1.731 1.00 23.14 H new ATOM 0 HG12 ILE A 19 6.866 -8.705 -3.220 1.00 63.45 H new ATOM 0 HG13 ILE A 19 6.389 -9.017 -1.563 1.00 63.45 H new ATOM 0 HG21 ILE A 19 4.738 -6.898 -4.198 1.00 22.14 H new ATOM 0 HG22 ILE A 19 5.290 -5.359 -3.495 1.00 22.14 H new ATOM 0 HG23 ILE A 19 6.464 -6.467 -4.243 1.00 22.14 H new ATOM 0 HD11 ILE A 19 5.136 -10.432 -3.118 1.00 72.23 H new ATOM 0 HD12 ILE A 19 4.042 -9.305 -2.279 1.00 72.23 H new ATOM 0 HD13 ILE A 19 4.527 -8.988 -3.962 1.00 72.23 H new ATOM 306 N LEU A 20 5.586 -4.875 -0.158 1.00 64.42 N ATOM 307 CA LEU A 20 5.117 -3.577 0.342 1.00 3.45 C ATOM 308 C LEU A 20 6.286 -2.689 0.790 1.00 44.04 C ATOM 309 O LEU A 20 6.309 -1.493 0.501 1.00 51.20 O ATOM 310 CB LEU A 20 4.127 -3.784 1.498 1.00 75.04 C ATOM 311 CG LEU A 20 2.784 -4.412 1.087 1.00 13.41 C ATOM 312 CD1 LEU A 20 1.992 -4.856 2.311 1.00 14.13 C ATOM 313 CD2 LEU A 20 1.968 -3.430 0.246 1.00 33.13 C ATOM 0 H LEU A 20 5.182 -5.677 0.326 1.00 64.42 H new ATOM 0 HA LEU A 20 4.610 -3.065 -0.476 1.00 3.45 H new ATOM 0 HB2 LEU A 20 4.595 -4.419 2.250 1.00 75.04 H new ATOM 0 HB3 LEU A 20 3.933 -2.821 1.970 1.00 75.04 H new ATOM 0 HG LEU A 20 2.994 -5.294 0.482 1.00 13.41 H new ATOM 0 HD11 LEU A 20 1.047 -5.296 1.993 1.00 14.13 H new ATOM 0 HD12 LEU A 20 2.567 -5.595 2.868 1.00 14.13 H new ATOM 0 HD13 LEU A 20 1.794 -3.994 2.949 1.00 14.13 H new ATOM 0 HD21 LEU A 20 1.021 -3.891 -0.036 1.00 33.13 H new ATOM 0 HD22 LEU A 20 1.774 -2.528 0.826 1.00 33.13 H new ATOM 0 HD23 LEU A 20 2.526 -3.170 -0.653 1.00 33.13 H new ATOM 325 N LYS A 21 7.254 -3.280 1.485 1.00 44.23 N ATOM 326 CA LYS A 21 8.471 -2.563 1.890 1.00 71.43 C ATOM 327 C LYS A 21 9.225 -2.010 0.672 1.00 11.13 C ATOM 328 O LYS A 21 9.489 -0.813 0.584 1.00 74.41 O ATOM 329 CB LYS A 21 9.401 -3.486 2.692 1.00 52.10 C ATOM 330 CG LYS A 21 8.899 -3.821 4.093 1.00 43.25 C ATOM 331 CD LYS A 21 9.822 -4.818 4.794 1.00 33.43 C ATOM 332 CE LYS A 21 9.451 -5.005 6.261 1.00 31.44 C ATOM 333 NZ LYS A 21 9.675 -3.765 7.054 1.00 12.44 N ATOM 0 H LYS A 21 7.224 -4.255 1.782 1.00 44.23 H new ATOM 0 HA LYS A 21 8.163 -1.727 2.518 1.00 71.43 H new ATOM 0 HB2 LYS A 21 9.539 -4.414 2.137 1.00 52.10 H new ATOM 0 HB3 LYS A 21 10.380 -3.014 2.773 1.00 52.10 H new ATOM 0 HG2 LYS A 21 8.831 -2.908 4.685 1.00 43.25 H new ATOM 0 HG3 LYS A 21 7.893 -4.236 4.031 1.00 43.25 H new ATOM 0 HD2 LYS A 21 9.773 -5.779 4.282 1.00 33.43 H new ATOM 0 HD3 LYS A 21 10.853 -4.471 4.722 1.00 33.43 H new ATOM 0 HE2 LYS A 21 8.404 -5.299 6.336 1.00 31.44 H new ATOM 0 HE3 LYS A 21 10.042 -5.818 6.684 1.00 31.44 H new ATOM 0 HZ1 LYS A 21 9.675 -3.997 8.068 1.00 12.44 H new ATOM 0 HZ2 LYS A 21 10.591 -3.347 6.794 1.00 12.44 H new ATOM 0 HZ3 LYS A 21 8.915 -3.084 6.855 1.00 12.44 H new ATOM 347 N ILE A 22 9.554 -2.892 -0.271 1.00 14.03 N ATOM 348 CA ILE A 22 10.331 -2.514 -1.462 1.00 63.21 C ATOM 349 C ILE A 22 9.672 -1.370 -2.261 1.00 72.12 C ATOM 350 O ILE A 22 10.356 -0.447 -2.711 1.00 23.23 O ATOM 351 CB ILE A 22 10.541 -3.731 -2.402 1.00 35.14 C ATOM 352 CG1 ILE A 22 11.273 -4.862 -1.656 1.00 31.22 C ATOM 353 CG2 ILE A 22 11.312 -3.321 -3.661 1.00 40.34 C ATOM 354 CD1 ILE A 22 11.506 -6.103 -2.495 1.00 42.25 C ATOM 0 H ILE A 22 9.296 -3.878 -0.237 1.00 14.03 H new ATOM 0 HA ILE A 22 11.294 -2.162 -1.093 1.00 63.21 H new ATOM 0 HB ILE A 22 9.563 -4.099 -2.713 1.00 35.14 H new ATOM 0 HG12 ILE A 22 12.234 -4.488 -1.303 1.00 31.22 H new ATOM 0 HG13 ILE A 22 10.694 -5.136 -0.774 1.00 31.22 H new ATOM 0 HG21 ILE A 22 11.447 -4.191 -4.304 1.00 40.34 H new ATOM 0 HG22 ILE A 22 10.751 -2.556 -4.198 1.00 40.34 H new ATOM 0 HG23 ILE A 22 12.287 -2.925 -3.378 1.00 40.34 H new ATOM 0 HD11 ILE A 22 12.026 -6.853 -1.899 1.00 42.25 H new ATOM 0 HD12 ILE A 22 10.548 -6.503 -2.826 1.00 42.25 H new ATOM 0 HD13 ILE A 22 12.112 -5.846 -3.364 1.00 42.25 H new ATOM 366 N HIS A 23 8.348 -1.430 -2.426 1.00 32.11 N ATOM 367 CA HIS A 23 7.620 -0.433 -3.230 1.00 24.22 C ATOM 368 C HIS A 23 7.319 0.863 -2.452 1.00 54.11 C ATOM 369 O HIS A 23 7.449 1.960 -2.997 1.00 13.03 O ATOM 370 CB HIS A 23 6.317 -1.035 -3.770 1.00 24.22 C ATOM 371 CG HIS A 23 6.528 -2.014 -4.887 1.00 64.34 C ATOM 372 ND1 HIS A 23 6.307 -1.699 -6.208 1.00 53.14 N ATOM 373 CD2 HIS A 23 6.949 -3.302 -4.878 1.00 23.24 C ATOM 374 CE1 HIS A 23 6.578 -2.744 -6.964 1.00 20.12 C ATOM 375 NE2 HIS A 23 6.969 -3.731 -6.184 1.00 43.10 N ATOM 0 H HIS A 23 7.756 -2.153 -2.017 1.00 32.11 H new ATOM 0 HA HIS A 23 8.274 -0.162 -4.059 1.00 24.22 H new ATOM 0 HB2 HIS A 23 5.791 -1.533 -2.955 1.00 24.22 H new ATOM 0 HB3 HIS A 23 5.672 -0.229 -4.120 1.00 24.22 H new ATOM 0 HD2 HIS A 23 7.218 -3.883 -4.008 1.00 23.24 H new ATOM 0 HE1 HIS A 23 6.494 -2.784 -8.040 1.00 20.12 H new ATOM 0 HE2 HIS A 23 7.242 -4.662 -6.498 1.00 43.10 H new ATOM 384 N SER A 24 6.914 0.739 -1.187 1.00 61.13 N ATOM 385 CA SER A 24 6.546 1.916 -0.373 1.00 24.14 C ATOM 386 C SER A 24 7.699 2.923 -0.272 1.00 3.15 C ATOM 387 O SER A 24 7.475 4.132 -0.208 1.00 34.02 O ATOM 388 CB SER A 24 6.116 1.491 1.035 1.00 23.34 C ATOM 389 OG SER A 24 7.185 0.869 1.729 1.00 53.53 O ATOM 0 H SER A 24 6.830 -0.153 -0.700 1.00 61.13 H new ATOM 0 HA SER A 24 5.710 2.401 -0.877 1.00 24.14 H new ATOM 0 HB2 SER A 24 5.774 2.363 1.593 1.00 23.34 H new ATOM 0 HB3 SER A 24 5.272 0.804 0.969 1.00 23.34 H new ATOM 0 HG SER A 24 7.217 -0.082 1.496 1.00 53.53 H new ATOM 395 N ARG A 25 8.930 2.409 -0.270 1.00 32.11 N ATOM 396 CA ARG A 25 10.142 3.243 -0.239 1.00 24.42 C ATOM 397 C ARG A 25 10.126 4.339 -1.320 1.00 52.22 C ATOM 398 O ARG A 25 10.713 5.408 -1.143 1.00 30.33 O ATOM 399 CB ARG A 25 11.378 2.356 -0.436 1.00 74.44 C ATOM 400 CG ARG A 25 11.607 1.348 0.689 1.00 44.55 C ATOM 401 CD ARG A 25 12.559 0.235 0.261 1.00 13.52 C ATOM 402 NE ARG A 25 13.864 0.746 -0.159 1.00 13.14 N ATOM 403 CZ ARG A 25 14.433 0.462 -1.301 1.00 33.20 C ATOM 404 NH1 ARG A 25 13.813 -0.252 -2.189 1.00 72.32 N ATOM 405 NH2 ARG A 25 15.615 0.912 -1.557 1.00 70.14 N ATOM 0 H ARG A 25 9.119 1.407 -0.290 1.00 32.11 H new ATOM 0 HA ARG A 25 10.174 3.737 0.732 1.00 24.42 H new ATOM 0 HB2 ARG A 25 11.279 1.817 -1.378 1.00 74.44 H new ATOM 0 HB3 ARG A 25 12.259 2.992 -0.524 1.00 74.44 H new ATOM 0 HG2 ARG A 25 12.014 1.861 1.560 1.00 44.55 H new ATOM 0 HG3 ARG A 25 10.653 0.916 0.991 1.00 44.55 H new ATOM 0 HD2 ARG A 25 12.694 -0.462 1.088 1.00 13.52 H new ATOM 0 HD3 ARG A 25 12.111 -0.327 -0.559 1.00 13.52 H new ATOM 0 HE ARG A 25 14.362 1.364 0.481 1.00 13.14 H new ATOM 0 HH11 ARG A 25 12.872 -0.598 -1.999 1.00 72.32 H new ATOM 0 HH12 ARG A 25 14.266 -0.468 -3.077 1.00 72.32 H new ATOM 0 HH21 ARG A 25 16.102 1.487 -0.869 1.00 70.14 H new ATOM 0 HH22 ARG A 25 16.063 0.693 -2.447 1.00 70.14 H new ATOM 419 N LYS A 26 9.456 4.067 -2.437 1.00 2.23 N ATOM 420 CA LYS A 26 9.397 5.010 -3.558 1.00 22.11 C ATOM 421 C LYS A 26 8.579 6.270 -3.207 1.00 23.11 C ATOM 422 O LYS A 26 8.843 7.361 -3.718 1.00 31.12 O ATOM 423 CB LYS A 26 8.789 4.320 -4.787 1.00 0.42 C ATOM 424 CG LYS A 26 8.825 5.169 -6.057 1.00 64.13 C ATOM 425 CD LYS A 26 10.255 5.510 -6.474 1.00 21.13 C ATOM 426 CE LYS A 26 11.044 4.268 -6.874 1.00 73.00 C ATOM 427 NZ LYS A 26 10.501 3.637 -8.106 1.00 42.25 N ATOM 0 H LYS A 26 8.944 3.199 -2.593 1.00 2.23 H new ATOM 0 HA LYS A 26 10.416 5.327 -3.778 1.00 22.11 H new ATOM 0 HB2 LYS A 26 9.324 3.388 -4.970 1.00 0.42 H new ATOM 0 HB3 LYS A 26 7.754 4.056 -4.568 1.00 0.42 H new ATOM 0 HG2 LYS A 26 8.329 4.633 -6.866 1.00 64.13 H new ATOM 0 HG3 LYS A 26 8.265 6.090 -5.894 1.00 64.13 H new ATOM 0 HD2 LYS A 26 10.232 6.210 -7.309 1.00 21.13 H new ATOM 0 HD3 LYS A 26 10.763 6.013 -5.651 1.00 21.13 H new ATOM 0 HE2 LYS A 26 12.088 4.538 -7.034 1.00 73.00 H new ATOM 0 HE3 LYS A 26 11.023 3.546 -6.057 1.00 73.00 H new ATOM 0 HZ1 LYS A 26 11.159 2.903 -8.439 1.00 42.25 H new ATOM 0 HZ2 LYS A 26 9.578 3.206 -7.897 1.00 42.25 H new ATOM 0 HZ3 LYS A 26 10.386 4.360 -8.845 1.00 42.25 H new ATOM 441 N MET A 27 7.594 6.116 -2.327 1.00 14.41 N ATOM 442 CA MET A 27 6.694 7.220 -1.971 1.00 40.24 C ATOM 443 C MET A 27 7.058 7.838 -0.610 1.00 54.44 C ATOM 444 O MET A 27 7.739 7.219 0.209 1.00 62.13 O ATOM 445 CB MET A 27 5.242 6.724 -1.956 1.00 24.14 C ATOM 446 CG MET A 27 4.776 6.169 -3.297 1.00 54.44 C ATOM 447 SD MET A 27 3.050 5.648 -3.278 1.00 12.34 S ATOM 448 CE MET A 27 3.090 4.351 -2.038 1.00 53.13 C ATOM 0 H MET A 27 7.395 5.240 -1.845 1.00 14.41 H new ATOM 0 HA MET A 27 6.806 7.999 -2.725 1.00 40.24 H new ATOM 0 HB2 MET A 27 5.138 5.950 -1.196 1.00 24.14 H new ATOM 0 HB3 MET A 27 4.588 7.546 -1.665 1.00 24.14 H new ATOM 0 HG2 MET A 27 4.913 6.929 -4.066 1.00 54.44 H new ATOM 0 HG3 MET A 27 5.403 5.321 -3.572 1.00 54.44 H new ATOM 0 HE1 MET A 27 2.202 3.726 -2.136 1.00 53.13 H new ATOM 0 HE2 MET A 27 3.981 3.740 -2.179 1.00 53.13 H new ATOM 0 HE3 MET A 27 3.111 4.798 -1.044 1.00 53.13 H new ATOM 458 N ASN A 28 6.609 9.071 -0.383 1.00 54.25 N ATOM 459 CA ASN A 28 6.860 9.762 0.885 1.00 0.11 C ATOM 460 C ASN A 28 5.892 9.264 1.967 1.00 30.42 C ATOM 461 O ASN A 28 4.779 9.768 2.103 1.00 63.43 O ATOM 462 CB ASN A 28 6.721 11.278 0.707 1.00 65.24 C ATOM 463 CG ASN A 28 7.605 11.826 -0.400 1.00 43.03 C ATOM 464 OD1 ASN A 28 7.890 11.148 -1.385 1.00 54.24 O ATOM 465 ND2 ASN A 28 8.039 13.061 -0.257 1.00 21.34 N ATOM 0 H ASN A 28 6.070 9.613 -1.058 1.00 54.25 H new ATOM 0 HA ASN A 28 7.880 9.541 1.201 1.00 0.11 H new ATOM 0 HB2 ASN A 28 5.681 11.519 0.488 1.00 65.24 H new ATOM 0 HB3 ASN A 28 6.972 11.774 1.645 1.00 65.24 H new ATOM 0 HD21 ASN A 28 8.629 13.481 -0.975 1.00 21.34 H new ATOM 0 HD22 ASN A 28 7.785 13.598 0.572 1.00 21.34 H new ATOM 472 N LEU A 29 6.320 8.259 2.719 1.00 31.20 N ATOM 473 CA LEU A 29 5.470 7.626 3.732 1.00 73.41 C ATOM 474 C LEU A 29 5.253 8.535 4.953 1.00 74.42 C ATOM 475 O LEU A 29 6.122 9.329 5.315 1.00 20.03 O ATOM 476 CB LEU A 29 6.091 6.294 4.173 1.00 23.34 C ATOM 477 CG LEU A 29 6.330 5.276 3.044 1.00 2.34 C ATOM 478 CD1 LEU A 29 6.964 4.001 3.592 1.00 60.02 C ATOM 479 CD2 LEU A 29 5.025 4.964 2.313 1.00 31.44 C ATOM 0 H LEU A 29 7.256 7.859 2.650 1.00 31.20 H new ATOM 0 HA LEU A 29 4.494 7.447 3.280 1.00 73.41 H new ATOM 0 HB2 LEU A 29 7.043 6.500 4.662 1.00 23.34 H new ATOM 0 HB3 LEU A 29 5.441 5.838 4.920 1.00 23.34 H new ATOM 0 HG LEU A 29 7.023 5.717 2.327 1.00 2.34 H new ATOM 0 HD11 LEU A 29 7.124 3.295 2.777 1.00 60.02 H new ATOM 0 HD12 LEU A 29 7.920 4.241 4.057 1.00 60.02 H new ATOM 0 HD13 LEU A 29 6.301 3.555 4.334 1.00 60.02 H new ATOM 0 HD21 LEU A 29 5.216 4.242 1.519 1.00 31.44 H new ATOM 0 HD22 LEU A 29 4.305 4.547 3.017 1.00 31.44 H new ATOM 0 HD23 LEU A 29 4.622 5.880 1.881 1.00 31.44 H new ATOM 491 N THR A 30 4.081 8.410 5.576 1.00 23.22 N ATOM 492 CA THR A 30 3.740 9.193 6.779 1.00 13.10 C ATOM 493 C THR A 30 4.430 8.643 8.044 1.00 30.44 C ATOM 494 O THR A 30 5.220 7.696 7.978 1.00 51.45 O ATOM 495 CB THR A 30 2.206 9.219 7.018 1.00 61.14 C ATOM 496 OG1 THR A 30 1.880 10.120 8.091 1.00 12.34 O ATOM 497 CG2 THR A 30 1.676 7.827 7.357 1.00 50.23 C ATOM 0 H THR A 30 3.345 7.773 5.271 1.00 23.22 H new ATOM 0 HA THR A 30 4.100 10.205 6.594 1.00 13.10 H new ATOM 0 HB THR A 30 1.736 9.561 6.096 1.00 61.14 H new ATOM 0 HG1 THR A 30 0.910 10.127 8.229 1.00 12.34 H new ATOM 0 HG21 THR A 30 0.599 7.877 7.519 1.00 50.23 H new ATOM 0 HG22 THR A 30 1.888 7.146 6.532 1.00 50.23 H new ATOM 0 HG23 THR A 30 2.162 7.463 8.262 1.00 50.23 H new ATOM 505 N ARG A 31 4.116 9.242 9.192 1.00 14.21 N ATOM 506 CA ARG A 31 4.679 8.831 10.483 1.00 32.43 C ATOM 507 C ARG A 31 4.160 7.448 10.925 1.00 21.11 C ATOM 508 O ARG A 31 2.959 7.178 10.875 1.00 40.10 O ATOM 509 CB ARG A 31 4.331 9.875 11.553 1.00 45.23 C ATOM 510 CG ARG A 31 2.827 10.068 11.743 1.00 5.24 C ATOM 511 CD ARG A 31 2.513 11.051 12.861 1.00 73.25 C ATOM 512 NE ARG A 31 2.995 12.400 12.561 1.00 62.31 N ATOM 513 CZ ARG A 31 3.627 13.158 13.415 1.00 61.54 C ATOM 514 NH1 ARG A 31 3.969 12.700 14.573 1.00 22.10 N ATOM 515 NH2 ARG A 31 3.953 14.362 13.093 1.00 64.34 N ATOM 0 H ARG A 31 3.465 10.025 9.256 1.00 14.21 H new ATOM 0 HA ARG A 31 5.760 8.759 10.364 1.00 32.43 H new ATOM 0 HB2 ARG A 31 4.774 9.574 12.502 1.00 45.23 H new ATOM 0 HB3 ARG A 31 4.781 10.829 11.279 1.00 45.23 H new ATOM 0 HG2 ARG A 31 2.387 10.426 10.812 1.00 5.24 H new ATOM 0 HG3 ARG A 31 2.364 9.107 11.965 1.00 5.24 H new ATOM 0 HD2 ARG A 31 1.436 11.080 13.026 1.00 73.25 H new ATOM 0 HD3 ARG A 31 2.968 10.702 13.788 1.00 73.25 H new ATOM 0 HE ARG A 31 2.826 12.771 11.626 1.00 62.31 H new ATOM 0 HH11 ARG A 31 3.745 11.738 14.827 1.00 22.10 H new ATOM 0 HH12 ARG A 31 4.463 13.300 15.233 1.00 22.10 H new ATOM 0 HH21 ARG A 31 3.717 14.724 12.169 1.00 64.34 H new ATOM 0 HH22 ARG A 31 4.447 14.953 13.762 1.00 64.34 H new ATOM 529 N GLY A 32 5.083 6.579 11.343 1.00 43.22 N ATOM 530 CA GLY A 32 4.722 5.268 11.891 1.00 60.30 C ATOM 531 C GLY A 32 3.741 4.474 11.032 1.00 55.12 C ATOM 532 O GLY A 32 2.935 3.702 11.555 1.00 43.51 O ATOM 0 H GLY A 32 6.087 6.759 11.313 1.00 43.22 H new ATOM 0 HA2 GLY A 32 5.630 4.680 12.022 1.00 60.30 H new ATOM 0 HA3 GLY A 32 4.288 5.409 12.881 1.00 60.30 H new ATOM 536 N ILE A 33 3.815 4.655 9.714 1.00 60.24 N ATOM 537 CA ILE A 33 2.914 3.971 8.781 1.00 43.54 C ATOM 538 C ILE A 33 3.012 2.438 8.906 1.00 13.23 C ATOM 539 O ILE A 33 3.942 1.806 8.401 1.00 22.30 O ATOM 540 CB ILE A 33 3.190 4.413 7.320 1.00 34.33 C ATOM 541 CG1 ILE A 33 2.261 3.676 6.338 1.00 5.24 C ATOM 542 CG2 ILE A 33 4.657 4.193 6.952 1.00 0.41 C ATOM 543 CD1 ILE A 33 2.397 4.142 4.901 1.00 50.34 C ATOM 0 H ILE A 33 4.492 5.272 9.265 1.00 60.24 H new ATOM 0 HA ILE A 33 1.897 4.260 9.048 1.00 43.54 H new ATOM 0 HB ILE A 33 2.980 5.480 7.246 1.00 34.33 H new ATOM 0 HG12 ILE A 33 2.472 2.608 6.385 1.00 5.24 H new ATOM 0 HG13 ILE A 33 1.228 3.812 6.658 1.00 5.24 H new ATOM 0 HG21 ILE A 33 4.826 4.510 5.923 1.00 0.41 H new ATOM 0 HG22 ILE A 33 5.291 4.776 7.620 1.00 0.41 H new ATOM 0 HG23 ILE A 33 4.902 3.135 7.050 1.00 0.41 H new ATOM 0 HD11 ILE A 33 1.712 3.577 4.269 1.00 50.34 H new ATOM 0 HD12 ILE A 33 2.157 5.203 4.838 1.00 50.34 H new ATOM 0 HD13 ILE A 33 3.420 3.981 4.561 1.00 50.34 H new ATOM 555 N ASN A 34 2.053 1.848 9.613 1.00 33.14 N ATOM 556 CA ASN A 34 2.028 0.399 9.829 1.00 71.03 C ATOM 557 C ASN A 34 1.611 -0.345 8.546 1.00 45.02 C ATOM 558 O ASN A 34 0.421 -0.505 8.257 1.00 75.14 O ATOM 559 CB ASN A 34 1.083 0.047 10.991 1.00 72.13 C ATOM 560 CG ASN A 34 1.113 -1.430 11.361 1.00 70.34 C ATOM 561 OD1 ASN A 34 1.417 -2.285 10.539 1.00 61.32 O ATOM 562 ND2 ASN A 34 0.792 -1.745 12.600 1.00 2.22 N ATOM 0 H ASN A 34 1.279 2.350 10.049 1.00 33.14 H new ATOM 0 HA ASN A 34 3.036 0.077 10.090 1.00 71.03 H new ATOM 0 HB2 ASN A 34 1.355 0.640 11.865 1.00 72.13 H new ATOM 0 HB3 ASN A 34 0.065 0.327 10.721 1.00 72.13 H new ATOM 0 HD21 ASN A 34 0.793 -2.722 12.894 1.00 2.22 H new ATOM 0 HD22 ASN A 34 0.543 -1.012 13.264 1.00 2.22 H new ATOM 569 N LEU A 35 2.604 -0.788 7.777 1.00 54.13 N ATOM 570 CA LEU A 35 2.360 -1.554 6.548 1.00 42.41 C ATOM 571 C LEU A 35 1.905 -2.989 6.858 1.00 13.54 C ATOM 572 O LEU A 35 1.316 -3.661 6.009 1.00 0.32 O ATOM 573 CB LEU A 35 3.629 -1.590 5.682 1.00 53.34 C ATOM 574 CG LEU A 35 4.133 -0.224 5.191 1.00 13.10 C ATOM 575 CD1 LEU A 35 5.437 -0.377 4.412 1.00 31.44 C ATOM 576 CD2 LEU A 35 3.071 0.464 4.334 1.00 53.43 C ATOM 0 H LEU A 35 3.591 -0.631 7.981 1.00 54.13 H new ATOM 0 HA LEU A 35 1.560 -1.054 6.002 1.00 42.41 H new ATOM 0 HB2 LEU A 35 4.425 -2.067 6.254 1.00 53.34 H new ATOM 0 HB3 LEU A 35 3.438 -2.221 4.814 1.00 53.34 H new ATOM 0 HG LEU A 35 4.329 0.401 6.062 1.00 13.10 H new ATOM 0 HD11 LEU A 35 5.776 0.602 4.074 1.00 31.44 H new ATOM 0 HD12 LEU A 35 6.196 -0.821 5.056 1.00 31.44 H new ATOM 0 HD13 LEU A 35 5.272 -1.022 3.549 1.00 31.44 H new ATOM 0 HD21 LEU A 35 3.446 1.430 3.996 1.00 53.43 H new ATOM 0 HD22 LEU A 35 2.841 -0.159 3.470 1.00 53.43 H new ATOM 0 HD23 LEU A 35 2.167 0.613 4.925 1.00 53.43 H new ATOM 588 N ARG A 36 2.175 -3.452 8.080 1.00 1.31 N ATOM 589 CA ARG A 36 1.820 -4.816 8.484 1.00 1.24 C ATOM 590 C ARG A 36 0.294 -4.990 8.542 1.00 71.42 C ATOM 591 O ARG A 36 -0.248 -5.910 7.938 1.00 32.32 O ATOM 592 CB ARG A 36 2.436 -5.155 9.848 1.00 13.21 C ATOM 593 CG ARG A 36 2.339 -6.631 10.213 1.00 75.42 C ATOM 594 CD ARG A 36 2.897 -6.906 11.604 1.00 73.32 C ATOM 595 NE ARG A 36 3.105 -8.332 11.837 1.00 63.14 N ATOM 596 CZ ARG A 36 3.453 -8.850 12.980 1.00 42.00 C ATOM 597 NH1 ARG A 36 3.558 -8.112 14.039 1.00 65.10 N ATOM 598 NH2 ARG A 36 3.681 -10.118 13.063 1.00 1.33 N ATOM 0 H ARG A 36 2.637 -2.905 8.806 1.00 1.31 H new ATOM 0 HA ARG A 36 2.221 -5.500 7.737 1.00 1.24 H new ATOM 0 HB2 ARG A 36 3.485 -4.858 9.847 1.00 13.21 H new ATOM 0 HB3 ARG A 36 1.938 -4.566 10.618 1.00 13.21 H new ATOM 0 HG2 ARG A 36 1.297 -6.949 10.170 1.00 75.42 H new ATOM 0 HG3 ARG A 36 2.884 -7.224 9.479 1.00 75.42 H new ATOM 0 HD2 ARG A 36 3.842 -6.377 11.727 1.00 73.32 H new ATOM 0 HD3 ARG A 36 2.211 -6.512 12.354 1.00 73.32 H new ATOM 0 HE ARG A 36 2.968 -8.967 11.050 1.00 63.14 H new ATOM 0 HH11 ARG A 36 3.367 -7.112 13.984 1.00 65.10 H new ATOM 0 HH12 ARG A 36 3.832 -8.531 14.928 1.00 65.10 H new ATOM 0 HH21 ARG A 36 3.588 -10.708 12.236 1.00 1.33 H new ATOM 0 HH22 ARG A 36 3.954 -10.530 13.955 1.00 1.33 H new ATOM 612 N LYS A 37 -0.387 -4.088 9.261 1.00 71.33 N ATOM 613 CA LYS A 37 -1.857 -4.106 9.354 1.00 5.13 C ATOM 614 C LYS A 37 -2.487 -4.102 7.954 1.00 51.53 C ATOM 615 O LYS A 37 -3.541 -4.694 7.728 1.00 22.12 O ATOM 616 CB LYS A 37 -2.354 -2.900 10.182 1.00 71.23 C ATOM 617 CG LYS A 37 -3.809 -3.014 10.658 1.00 71.51 C ATOM 618 CD LYS A 37 -4.829 -2.503 9.632 1.00 31.14 C ATOM 619 CE LYS A 37 -4.879 -0.977 9.580 1.00 74.33 C ATOM 620 NZ LYS A 37 -6.040 -0.480 8.791 1.00 4.31 N ATOM 0 H LYS A 37 0.055 -3.335 9.788 1.00 71.33 H new ATOM 0 HA LYS A 37 -2.163 -5.022 9.860 1.00 5.13 H new ATOM 0 HB2 LYS A 37 -1.708 -2.781 11.052 1.00 71.23 H new ATOM 0 HB3 LYS A 37 -2.250 -1.996 9.582 1.00 71.23 H new ATOM 0 HG2 LYS A 37 -4.027 -4.057 10.888 1.00 71.51 H new ATOM 0 HG3 LYS A 37 -3.925 -2.452 11.585 1.00 71.51 H new ATOM 0 HD2 LYS A 37 -4.575 -2.890 8.645 1.00 31.14 H new ATOM 0 HD3 LYS A 37 -5.817 -2.889 9.881 1.00 31.14 H new ATOM 0 HE2 LYS A 37 -4.935 -0.582 10.594 1.00 74.33 H new ATOM 0 HE3 LYS A 37 -3.955 -0.599 9.142 1.00 74.33 H new ATOM 0 HZ1 LYS A 37 -5.894 0.521 8.552 1.00 4.31 H new ATOM 0 HZ2 LYS A 37 -6.129 -1.036 7.916 1.00 4.31 H new ATOM 0 HZ3 LYS A 37 -6.909 -0.578 9.353 1.00 4.31 H new ATOM 634 N ILE A 38 -1.820 -3.437 7.014 1.00 64.45 N ATOM 635 CA ILE A 38 -2.249 -3.435 5.615 1.00 23.11 C ATOM 636 C ILE A 38 -2.108 -4.839 5.008 1.00 61.52 C ATOM 637 O ILE A 38 -3.039 -5.362 4.395 1.00 20.23 O ATOM 638 CB ILE A 38 -1.419 -2.425 4.781 1.00 13.33 C ATOM 639 CG1 ILE A 38 -1.531 -1.014 5.381 1.00 41.52 C ATOM 640 CG2 ILE A 38 -1.856 -2.428 3.318 1.00 40.45 C ATOM 641 CD1 ILE A 38 -2.953 -0.499 5.489 1.00 30.20 C ATOM 0 H ILE A 38 -0.978 -2.891 7.195 1.00 64.45 H new ATOM 0 HA ILE A 38 -3.296 -3.134 5.589 1.00 23.11 H new ATOM 0 HB ILE A 38 -0.374 -2.734 4.816 1.00 13.33 H new ATOM 0 HG12 ILE A 38 -1.080 -1.016 6.373 1.00 41.52 H new ATOM 0 HG13 ILE A 38 -0.951 -0.323 4.769 1.00 41.52 H new ATOM 0 HG21 ILE A 38 -1.257 -1.710 2.758 1.00 40.45 H new ATOM 0 HG22 ILE A 38 -1.715 -3.424 2.898 1.00 40.45 H new ATOM 0 HG23 ILE A 38 -2.908 -2.152 3.252 1.00 40.45 H new ATOM 0 HD11 ILE A 38 -2.946 0.502 5.921 1.00 30.20 H new ATOM 0 HD12 ILE A 38 -3.403 -0.462 4.497 1.00 30.20 H new ATOM 0 HD13 ILE A 38 -3.534 -1.166 6.126 1.00 30.20 H new ATOM 653 N ALA A 39 -0.940 -5.449 5.205 1.00 12.42 N ATOM 654 CA ALA A 39 -0.680 -6.815 4.739 1.00 70.10 C ATOM 655 C ALA A 39 -1.635 -7.830 5.388 1.00 31.20 C ATOM 656 O ALA A 39 -1.974 -8.852 4.789 1.00 13.43 O ATOM 657 CB ALA A 39 0.771 -7.197 5.018 1.00 54.03 C ATOM 0 H ALA A 39 -0.152 -5.017 5.688 1.00 12.42 H new ATOM 0 HA ALA A 39 -0.857 -6.839 3.664 1.00 70.10 H new ATOM 0 HB1 ALA A 39 0.953 -8.213 4.668 1.00 54.03 H new ATOM 0 HB2 ALA A 39 1.435 -6.509 4.496 1.00 54.03 H new ATOM 0 HB3 ALA A 39 0.962 -7.143 6.090 1.00 54.03 H new ATOM 663 N GLU A 40 -2.069 -7.543 6.614 1.00 14.01 N ATOM 664 CA GLU A 40 -3.027 -8.403 7.319 1.00 4.41 C ATOM 665 C GLU A 40 -4.433 -8.291 6.711 1.00 31.25 C ATOM 666 O GLU A 40 -5.298 -9.132 6.960 1.00 53.10 O ATOM 667 CB GLU A 40 -3.068 -8.054 8.816 1.00 22.12 C ATOM 668 CG GLU A 40 -1.718 -8.197 9.514 1.00 41.35 C ATOM 669 CD GLU A 40 -1.813 -8.054 11.024 1.00 2.02 C ATOM 670 OE1 GLU A 40 -2.086 -9.067 11.703 1.00 5.44 O ATOM 671 OE2 GLU A 40 -1.611 -6.934 11.542 1.00 12.13 O ATOM 0 H GLU A 40 -1.774 -6.722 7.143 1.00 14.01 H new ATOM 0 HA GLU A 40 -2.690 -9.433 7.206 1.00 4.41 H new ATOM 0 HB2 GLU A 40 -3.421 -7.029 8.932 1.00 22.12 H new ATOM 0 HB3 GLU A 40 -3.794 -8.699 9.311 1.00 22.12 H new ATOM 0 HG2 GLU A 40 -1.292 -9.171 9.273 1.00 41.35 H new ATOM 0 HG3 GLU A 40 -1.033 -7.444 9.125 1.00 41.35 H new ATOM 678 N LEU A 41 -4.656 -7.248 5.916 1.00 23.02 N ATOM 679 CA LEU A 41 -5.921 -7.076 5.189 1.00 65.43 C ATOM 680 C LEU A 41 -5.836 -7.685 3.780 1.00 41.04 C ATOM 681 O LEU A 41 -6.774 -7.581 2.985 1.00 12.03 O ATOM 682 CB LEU A 41 -6.281 -5.585 5.095 1.00 70.42 C ATOM 683 CG LEU A 41 -6.503 -4.872 6.440 1.00 51.31 C ATOM 684 CD1 LEU A 41 -6.810 -3.391 6.226 1.00 35.31 C ATOM 685 CD2 LEU A 41 -7.621 -5.546 7.235 1.00 63.11 C ATOM 0 H LEU A 41 -3.977 -6.504 5.755 1.00 23.02 H new ATOM 0 HA LEU A 41 -6.702 -7.599 5.742 1.00 65.43 H new ATOM 0 HB2 LEU A 41 -5.485 -5.070 4.558 1.00 70.42 H new ATOM 0 HB3 LEU A 41 -7.186 -5.485 4.496 1.00 70.42 H new ATOM 0 HG LEU A 41 -5.582 -4.948 7.018 1.00 51.31 H new ATOM 0 HD11 LEU A 41 -6.963 -2.908 7.191 1.00 35.31 H new ATOM 0 HD12 LEU A 41 -5.974 -2.917 5.711 1.00 35.31 H new ATOM 0 HD13 LEU A 41 -7.712 -3.290 5.622 1.00 35.31 H new ATOM 0 HD21 LEU A 41 -7.760 -5.024 8.182 1.00 63.11 H new ATOM 0 HD22 LEU A 41 -8.548 -5.510 6.662 1.00 63.11 H new ATOM 0 HD23 LEU A 41 -7.354 -6.585 7.429 1.00 63.11 H new ATOM 697 N MET A 42 -4.709 -8.333 3.478 1.00 24.34 N ATOM 698 CA MET A 42 -4.472 -8.926 2.155 1.00 4.12 C ATOM 699 C MET A 42 -4.208 -10.446 2.253 1.00 22.43 C ATOM 700 O MET A 42 -3.085 -10.908 2.026 1.00 41.20 O ATOM 701 CB MET A 42 -3.277 -8.226 1.488 1.00 2.04 C ATOM 702 CG MET A 42 -3.439 -6.714 1.366 1.00 65.10 C ATOM 703 SD MET A 42 -1.942 -5.896 0.777 1.00 11.21 S ATOM 704 CE MET A 42 -1.717 -6.689 -0.810 1.00 12.30 C ATOM 0 H MET A 42 -3.940 -8.462 4.135 1.00 24.34 H new ATOM 0 HA MET A 42 -5.368 -8.784 1.551 1.00 4.12 H new ATOM 0 HB2 MET A 42 -2.376 -8.440 2.062 1.00 2.04 H new ATOM 0 HB3 MET A 42 -3.129 -8.648 0.494 1.00 2.04 H new ATOM 0 HG2 MET A 42 -4.260 -6.495 0.683 1.00 65.10 H new ATOM 0 HG3 MET A 42 -3.714 -6.303 2.337 1.00 65.10 H new ATOM 0 HE1 MET A 42 -0.966 -6.147 -1.384 1.00 12.30 H new ATOM 0 HE2 MET A 42 -1.387 -7.717 -0.660 1.00 12.30 H new ATOM 0 HE3 MET A 42 -2.661 -6.687 -1.355 1.00 12.30 H new ATOM 714 N PRO A 43 -5.234 -11.253 2.596 1.00 42.54 N ATOM 715 CA PRO A 43 -5.072 -12.706 2.755 1.00 75.13 C ATOM 716 C PRO A 43 -5.004 -13.463 1.413 1.00 42.33 C ATOM 717 O PRO A 43 -6.029 -13.759 0.792 1.00 64.02 O ATOM 718 CB PRO A 43 -6.315 -13.106 3.556 1.00 51.40 C ATOM 719 CG PRO A 43 -7.356 -12.111 3.155 1.00 22.02 C ATOM 720 CD PRO A 43 -6.623 -10.821 2.868 1.00 73.20 C ATOM 0 HA PRO A 43 -4.131 -12.959 3.243 1.00 75.13 H new ATOM 0 HB2 PRO A 43 -6.628 -14.124 3.322 1.00 51.40 H new ATOM 0 HB3 PRO A 43 -6.124 -13.070 4.629 1.00 51.40 H new ATOM 0 HG2 PRO A 43 -7.901 -12.452 2.275 1.00 22.02 H new ATOM 0 HG3 PRO A 43 -8.089 -11.973 3.950 1.00 22.02 H new ATOM 0 HD2 PRO A 43 -7.053 -10.299 2.014 1.00 73.20 H new ATOM 0 HD3 PRO A 43 -6.670 -10.138 3.716 1.00 73.20 H new ATOM 728 N GLY A 44 -3.786 -13.767 0.969 1.00 62.44 N ATOM 729 CA GLY A 44 -3.599 -14.513 -0.276 1.00 0.21 C ATOM 730 C GLY A 44 -3.386 -13.619 -1.497 1.00 14.53 C ATOM 731 O GLY A 44 -3.441 -14.091 -2.635 1.00 1.25 O ATOM 0 H GLY A 44 -2.921 -13.512 1.446 1.00 62.44 H new ATOM 0 HA2 GLY A 44 -2.741 -15.176 -0.167 1.00 0.21 H new ATOM 0 HA3 GLY A 44 -4.471 -15.145 -0.446 1.00 0.21 H new ATOM 735 N ALA A 45 -3.149 -12.329 -1.268 1.00 23.43 N ATOM 736 CA ALA A 45 -2.878 -11.386 -2.362 1.00 50.04 C ATOM 737 C ALA A 45 -1.464 -11.588 -2.931 1.00 41.50 C ATOM 738 O ALA A 45 -0.470 -11.331 -2.252 1.00 24.24 O ATOM 739 CB ALA A 45 -3.059 -9.951 -1.878 1.00 23.22 C ATOM 0 H ALA A 45 -3.138 -11.909 -0.338 1.00 23.43 H new ATOM 0 HA ALA A 45 -3.592 -11.580 -3.163 1.00 50.04 H new ATOM 0 HB1 ALA A 45 -2.855 -9.262 -2.698 1.00 23.22 H new ATOM 0 HB2 ALA A 45 -4.083 -9.810 -1.532 1.00 23.22 H new ATOM 0 HB3 ALA A 45 -2.368 -9.754 -1.058 1.00 23.22 H new ATOM 745 N SER A 46 -1.386 -12.050 -4.179 1.00 72.45 N ATOM 746 CA SER A 46 -0.097 -12.372 -4.814 1.00 55.50 C ATOM 747 C SER A 46 0.672 -11.113 -5.252 1.00 5.34 C ATOM 748 O SER A 46 0.137 -10.002 -5.227 1.00 21.53 O ATOM 749 CB SER A 46 -0.313 -13.300 -6.015 1.00 74.41 C ATOM 750 OG SER A 46 -0.971 -14.498 -5.625 1.00 62.20 O ATOM 0 H SER A 46 -2.198 -12.212 -4.775 1.00 72.45 H new ATOM 0 HA SER A 46 0.511 -12.880 -4.065 1.00 55.50 H new ATOM 0 HB2 SER A 46 -0.905 -12.787 -6.773 1.00 74.41 H new ATOM 0 HB3 SER A 46 0.648 -13.541 -6.470 1.00 74.41 H new ATOM 0 HG SER A 46 -1.098 -15.072 -6.409 1.00 62.20 H new ATOM 756 N GLY A 47 1.927 -11.308 -5.669 1.00 12.32 N ATOM 757 CA GLY A 47 2.815 -10.193 -6.021 1.00 13.13 C ATOM 758 C GLY A 47 2.195 -9.161 -6.962 1.00 65.10 C ATOM 759 O GLY A 47 2.368 -7.951 -6.768 1.00 3.44 O ATOM 0 H GLY A 47 2.353 -12.229 -5.772 1.00 12.32 H new ATOM 0 HA2 GLY A 47 3.126 -9.690 -5.105 1.00 13.13 H new ATOM 0 HA3 GLY A 47 3.715 -10.595 -6.486 1.00 13.13 H new ATOM 763 N ALA A 48 1.479 -9.628 -7.983 1.00 61.03 N ATOM 764 CA ALA A 48 0.832 -8.730 -8.947 1.00 51.11 C ATOM 765 C ALA A 48 -0.231 -7.846 -8.278 1.00 34.24 C ATOM 766 O ALA A 48 -0.378 -6.670 -8.621 1.00 1.15 O ATOM 767 CB ALA A 48 0.210 -9.532 -10.086 1.00 61.03 C ATOM 0 H ALA A 48 1.330 -10.620 -8.167 1.00 61.03 H new ATOM 0 HA ALA A 48 1.602 -8.073 -9.351 1.00 51.11 H new ATOM 0 HB1 ALA A 48 -0.266 -8.852 -10.792 1.00 61.03 H new ATOM 0 HB2 ALA A 48 0.987 -10.101 -10.597 1.00 61.03 H new ATOM 0 HB3 ALA A 48 -0.536 -10.217 -9.683 1.00 61.03 H new ATOM 773 N GLU A 49 -0.956 -8.411 -7.316 1.00 65.32 N ATOM 774 CA GLU A 49 -2.012 -7.677 -6.613 1.00 3.30 C ATOM 775 C GLU A 49 -1.407 -6.632 -5.659 1.00 75.35 C ATOM 776 O GLU A 49 -1.869 -5.490 -5.584 1.00 60.32 O ATOM 777 CB GLU A 49 -2.912 -8.644 -5.823 1.00 75.41 C ATOM 778 CG GLU A 49 -3.263 -9.939 -6.562 1.00 12.21 C ATOM 779 CD GLU A 49 -3.737 -9.715 -7.994 1.00 25.34 C ATOM 780 OE1 GLU A 49 -4.816 -9.120 -8.189 1.00 50.23 O ATOM 781 OE2 GLU A 49 -3.033 -10.154 -8.931 1.00 61.32 O ATOM 0 H GLU A 49 -0.834 -9.374 -7.003 1.00 65.32 H new ATOM 0 HA GLU A 49 -2.617 -7.163 -7.360 1.00 3.30 H new ATOM 0 HB2 GLU A 49 -2.415 -8.899 -4.887 1.00 75.41 H new ATOM 0 HB3 GLU A 49 -3.836 -8.128 -5.563 1.00 75.41 H new ATOM 0 HG2 GLU A 49 -2.388 -10.589 -6.575 1.00 12.21 H new ATOM 0 HG3 GLU A 49 -4.041 -10.464 -6.008 1.00 12.21 H new ATOM 788 N VAL A 50 -0.359 -7.036 -4.940 1.00 54.24 N ATOM 789 CA VAL A 50 0.354 -6.142 -4.018 1.00 33.22 C ATOM 790 C VAL A 50 0.889 -4.900 -4.751 1.00 54.51 C ATOM 791 O VAL A 50 0.809 -3.776 -4.244 1.00 73.12 O ATOM 792 CB VAL A 50 1.537 -6.871 -3.327 1.00 70.43 C ATOM 793 CG1 VAL A 50 2.214 -5.959 -2.307 1.00 33.01 C ATOM 794 CG2 VAL A 50 1.068 -8.170 -2.670 1.00 63.15 C ATOM 0 H VAL A 50 0.019 -7.983 -4.977 1.00 54.24 H new ATOM 0 HA VAL A 50 -0.365 -5.830 -3.260 1.00 33.22 H new ATOM 0 HB VAL A 50 2.270 -7.126 -4.092 1.00 70.43 H new ATOM 0 HG11 VAL A 50 3.040 -6.491 -1.835 1.00 33.01 H new ATOM 0 HG12 VAL A 50 2.595 -5.070 -2.810 1.00 33.01 H new ATOM 0 HG13 VAL A 50 1.491 -5.664 -1.547 1.00 33.01 H new ATOM 0 HG21 VAL A 50 1.915 -8.663 -2.192 1.00 63.15 H new ATOM 0 HG22 VAL A 50 0.309 -7.945 -1.921 1.00 63.15 H new ATOM 0 HG23 VAL A 50 0.645 -8.829 -3.428 1.00 63.15 H new ATOM 804 N LYS A 51 1.432 -5.115 -5.950 1.00 33.31 N ATOM 805 CA LYS A 51 1.926 -4.017 -6.791 1.00 32.20 C ATOM 806 C LYS A 51 0.800 -3.003 -7.079 1.00 41.33 C ATOM 807 O LYS A 51 1.035 -1.793 -7.159 1.00 51.41 O ATOM 808 CB LYS A 51 2.511 -4.592 -8.101 1.00 51.10 C ATOM 809 CG LYS A 51 3.357 -3.608 -8.919 1.00 64.54 C ATOM 810 CD LYS A 51 2.517 -2.670 -9.790 1.00 53.14 C ATOM 811 CE LYS A 51 1.780 -3.416 -10.900 1.00 73.25 C ATOM 812 NZ LYS A 51 0.980 -2.494 -11.750 1.00 42.42 N ATOM 0 H LYS A 51 1.542 -6.041 -6.364 1.00 33.31 H new ATOM 0 HA LYS A 51 2.716 -3.486 -6.261 1.00 32.20 H new ATOM 0 HB2 LYS A 51 3.124 -5.460 -7.858 1.00 51.10 H new ATOM 0 HB3 LYS A 51 1.689 -4.946 -8.723 1.00 51.10 H new ATOM 0 HG2 LYS A 51 3.968 -3.013 -8.240 1.00 64.54 H new ATOM 0 HG3 LYS A 51 4.041 -4.169 -9.556 1.00 64.54 H new ATOM 0 HD2 LYS A 51 1.794 -2.147 -9.164 1.00 53.14 H new ATOM 0 HD3 LYS A 51 3.163 -1.912 -10.232 1.00 53.14 H new ATOM 0 HE2 LYS A 51 2.501 -3.949 -11.520 1.00 73.25 H new ATOM 0 HE3 LYS A 51 1.123 -4.166 -10.460 1.00 73.25 H new ATOM 0 HZ1 LYS A 51 0.495 -3.038 -12.492 1.00 42.42 H new ATOM 0 HZ2 LYS A 51 0.275 -2.004 -11.163 1.00 42.42 H new ATOM 0 HZ3 LYS A 51 1.610 -1.794 -12.191 1.00 42.42 H new ATOM 826 N GLY A 52 -0.423 -3.509 -7.227 1.00 11.24 N ATOM 827 CA GLY A 52 -1.578 -2.645 -7.429 1.00 31.12 C ATOM 828 C GLY A 52 -1.870 -1.759 -6.222 1.00 53.15 C ATOM 829 O GLY A 52 -2.164 -0.570 -6.368 1.00 42.24 O ATOM 0 H GLY A 52 -0.636 -4.506 -7.211 1.00 11.24 H new ATOM 0 HA2 GLY A 52 -1.408 -2.016 -8.303 1.00 31.12 H new ATOM 0 HA3 GLY A 52 -2.453 -3.259 -7.644 1.00 31.12 H new ATOM 833 N VAL A 53 -1.772 -2.340 -5.025 1.00 44.34 N ATOM 834 CA VAL A 53 -2.014 -1.611 -3.774 1.00 75.52 C ATOM 835 C VAL A 53 -1.075 -0.400 -3.628 1.00 45.34 C ATOM 836 O VAL A 53 -1.527 0.727 -3.414 1.00 31.14 O ATOM 837 CB VAL A 53 -1.849 -2.541 -2.542 1.00 15.44 C ATOM 838 CG1 VAL A 53 -2.043 -1.768 -1.236 1.00 14.25 C ATOM 839 CG2 VAL A 53 -2.822 -3.718 -2.626 1.00 5.14 C ATOM 0 H VAL A 53 -1.525 -3.321 -4.893 1.00 44.34 H new ATOM 0 HA VAL A 53 -3.042 -1.251 -3.816 1.00 75.52 H new ATOM 0 HB VAL A 53 -0.832 -2.933 -2.548 1.00 15.44 H new ATOM 0 HG11 VAL A 53 -1.922 -2.445 -0.391 1.00 14.25 H new ATOM 0 HG12 VAL A 53 -1.302 -0.971 -1.172 1.00 14.25 H new ATOM 0 HG13 VAL A 53 -3.044 -1.336 -1.214 1.00 14.25 H new ATOM 0 HG21 VAL A 53 -2.693 -4.360 -1.755 1.00 5.14 H new ATOM 0 HG22 VAL A 53 -3.845 -3.343 -2.652 1.00 5.14 H new ATOM 0 HG23 VAL A 53 -2.622 -4.291 -3.531 1.00 5.14 H new ATOM 849 N CYS A 54 0.232 -0.635 -3.760 1.00 0.54 N ATOM 850 CA CYS A 54 1.229 0.440 -3.628 1.00 32.45 C ATOM 851 C CYS A 54 1.019 1.539 -4.680 1.00 44.00 C ATOM 852 O CYS A 54 1.273 2.717 -4.421 1.00 51.35 O ATOM 853 CB CYS A 54 2.654 -0.118 -3.737 1.00 1.41 C ATOM 854 SG CYS A 54 3.053 -0.839 -5.348 1.00 5.32 S ATOM 0 H CYS A 54 0.628 -1.554 -3.957 1.00 0.54 H new ATOM 0 HA CYS A 54 1.095 0.882 -2.641 1.00 32.45 H new ATOM 0 HB2 CYS A 54 3.362 0.683 -3.526 1.00 1.41 H new ATOM 0 HB3 CYS A 54 2.794 -0.878 -2.968 1.00 1.41 H new ATOM 0 HG CYS A 54 1.962 -0.989 -6.039 1.00 5.32 H new ATOM 860 N THR A 55 0.565 1.146 -5.869 1.00 74.11 N ATOM 861 CA THR A 55 0.284 2.105 -6.948 1.00 51.21 C ATOM 862 C THR A 55 -0.941 2.982 -6.626 1.00 42.13 C ATOM 863 O THR A 55 -0.876 4.212 -6.716 1.00 60.12 O ATOM 864 CB THR A 55 0.056 1.384 -8.302 1.00 31.31 C ATOM 865 OG1 THR A 55 1.217 0.608 -8.653 1.00 2.13 O ATOM 866 CG2 THR A 55 -0.241 2.380 -9.421 1.00 22.52 C ATOM 0 H THR A 55 0.383 0.173 -6.114 1.00 74.11 H new ATOM 0 HA THR A 55 1.162 2.745 -7.029 1.00 51.21 H new ATOM 0 HB THR A 55 -0.806 0.727 -8.185 1.00 31.31 H new ATOM 0 HG1 THR A 55 1.206 -0.239 -8.160 1.00 2.13 H new ATOM 0 HG21 THR A 55 -0.396 1.841 -10.356 1.00 22.52 H new ATOM 0 HG22 THR A 55 -1.140 2.946 -9.175 1.00 22.52 H new ATOM 0 HG23 THR A 55 0.600 3.065 -9.531 1.00 22.52 H new ATOM 874 N GLU A 56 -2.054 2.349 -6.245 1.00 64.04 N ATOM 875 CA GLU A 56 -3.286 3.078 -5.898 1.00 22.43 C ATOM 876 C GLU A 56 -3.095 3.975 -4.666 1.00 15.34 C ATOM 877 O GLU A 56 -3.610 5.092 -4.622 1.00 61.15 O ATOM 878 CB GLU A 56 -4.455 2.106 -5.661 1.00 10.14 C ATOM 879 CG GLU A 56 -5.090 1.563 -6.941 1.00 63.53 C ATOM 880 CD GLU A 56 -5.810 2.639 -7.753 1.00 32.42 C ATOM 881 OE1 GLU A 56 -7.018 2.869 -7.517 1.00 52.20 O ATOM 882 OE2 GLU A 56 -5.172 3.258 -8.633 1.00 43.43 O ATOM 0 H GLU A 56 -2.131 1.335 -6.168 1.00 64.04 H new ATOM 0 HA GLU A 56 -3.523 3.718 -6.748 1.00 22.43 H new ATOM 0 HB2 GLU A 56 -4.100 1.268 -5.062 1.00 10.14 H new ATOM 0 HB3 GLU A 56 -5.222 2.614 -5.076 1.00 10.14 H new ATOM 0 HG2 GLU A 56 -4.316 1.106 -7.558 1.00 63.53 H new ATOM 0 HG3 GLU A 56 -5.798 0.776 -6.683 1.00 63.53 H new ATOM 889 N ALA A 57 -2.352 3.483 -3.670 1.00 44.51 N ATOM 890 CA ALA A 57 -2.065 4.259 -2.454 1.00 30.34 C ATOM 891 C ALA A 57 -1.524 5.658 -2.792 1.00 62.12 C ATOM 892 O ALA A 57 -1.963 6.662 -2.228 1.00 22.52 O ATOM 893 CB ALA A 57 -1.077 3.507 -1.568 1.00 60.44 C ATOM 0 H ALA A 57 -1.937 2.551 -3.679 1.00 44.51 H new ATOM 0 HA ALA A 57 -3.002 4.388 -1.912 1.00 30.34 H new ATOM 0 HB1 ALA A 57 -0.873 4.093 -0.672 1.00 60.44 H new ATOM 0 HB2 ALA A 57 -1.503 2.545 -1.284 1.00 60.44 H new ATOM 0 HB3 ALA A 57 -0.148 3.346 -2.115 1.00 60.44 H new ATOM 899 N GLY A 58 -0.575 5.711 -3.724 1.00 1.14 N ATOM 900 CA GLY A 58 -0.055 6.987 -4.197 1.00 14.10 C ATOM 901 C GLY A 58 -1.111 7.829 -4.914 1.00 63.53 C ATOM 902 O GLY A 58 -1.161 9.047 -4.745 1.00 62.35 O ATOM 0 H GLY A 58 -0.155 4.891 -4.162 1.00 1.14 H new ATOM 0 HA2 GLY A 58 0.338 7.550 -3.351 1.00 14.10 H new ATOM 0 HA3 GLY A 58 0.779 6.805 -4.874 1.00 14.10 H new ATOM 906 N MET A 59 -1.968 7.175 -5.706 1.00 62.31 N ATOM 907 CA MET A 59 -3.027 7.867 -6.462 1.00 72.31 C ATOM 908 C MET A 59 -3.964 8.658 -5.532 1.00 61.24 C ATOM 909 O MET A 59 -4.343 9.792 -5.834 1.00 60.25 O ATOM 910 CB MET A 59 -3.848 6.864 -7.283 1.00 54.54 C ATOM 911 CG MET A 59 -3.023 6.054 -8.275 1.00 53.41 C ATOM 912 SD MET A 59 -2.113 7.092 -9.440 1.00 12.35 S ATOM 913 CE MET A 59 -3.455 7.938 -10.279 1.00 72.43 C ATOM 0 H MET A 59 -1.952 6.164 -5.843 1.00 62.31 H new ATOM 0 HA MET A 59 -2.536 8.571 -7.134 1.00 72.31 H new ATOM 0 HB2 MET A 59 -4.353 6.179 -6.602 1.00 54.54 H new ATOM 0 HB3 MET A 59 -4.624 7.403 -7.826 1.00 54.54 H new ATOM 0 HG2 MET A 59 -2.319 5.426 -7.728 1.00 53.41 H new ATOM 0 HG3 MET A 59 -3.682 5.386 -8.829 1.00 53.41 H new ATOM 0 HE1 MET A 59 -3.079 8.403 -11.190 1.00 72.43 H new ATOM 0 HE2 MET A 59 -4.235 7.220 -10.533 1.00 72.43 H new ATOM 0 HE3 MET A 59 -3.867 8.705 -9.624 1.00 72.43 H new ATOM 923 N TYR A 60 -4.335 8.049 -4.406 1.00 54.54 N ATOM 924 CA TYR A 60 -5.205 8.704 -3.420 1.00 31.40 C ATOM 925 C TYR A 60 -4.563 9.992 -2.883 1.00 73.54 C ATOM 926 O TYR A 60 -5.217 11.031 -2.758 1.00 45.10 O ATOM 927 CB TYR A 60 -5.511 7.752 -2.256 1.00 51.34 C ATOM 928 CG TYR A 60 -6.218 6.473 -2.671 1.00 53.23 C ATOM 929 CD1 TYR A 60 -7.409 6.515 -3.386 1.00 25.24 C ATOM 930 CD2 TYR A 60 -5.695 5.231 -2.344 1.00 23.44 C ATOM 931 CE1 TYR A 60 -8.053 5.351 -3.765 1.00 60.12 C ATOM 932 CE2 TYR A 60 -6.333 4.067 -2.720 1.00 33.02 C ATOM 933 CZ TYR A 60 -7.512 4.130 -3.428 1.00 72.43 C ATOM 934 OH TYR A 60 -8.153 2.966 -3.799 1.00 72.52 O ATOM 0 H TYR A 60 -4.049 7.104 -4.151 1.00 54.54 H new ATOM 0 HA TYR A 60 -6.136 8.966 -3.922 1.00 31.40 H new ATOM 0 HB2 TYR A 60 -4.577 7.493 -1.757 1.00 51.34 H new ATOM 0 HB3 TYR A 60 -6.128 8.275 -1.525 1.00 51.34 H new ATOM 0 HD1 TYR A 60 -7.838 7.470 -3.650 1.00 25.24 H new ATOM 0 HD2 TYR A 60 -4.772 5.174 -1.785 1.00 23.44 H new ATOM 0 HE1 TYR A 60 -8.976 5.399 -4.323 1.00 60.12 H new ATOM 0 HE2 TYR A 60 -5.909 3.109 -2.460 1.00 33.02 H new ATOM 0 HH TYR A 60 -8.299 2.407 -3.008 1.00 72.52 H new ATOM 944 N ALA A 61 -3.272 9.920 -2.574 1.00 34.20 N ATOM 945 CA ALA A 61 -2.523 11.097 -2.128 1.00 74.25 C ATOM 946 C ALA A 61 -2.425 12.156 -3.241 1.00 30.25 C ATOM 947 O ALA A 61 -2.602 13.351 -2.996 1.00 12.51 O ATOM 948 CB ALA A 61 -1.131 10.689 -1.652 1.00 74.34 C ATOM 0 H ALA A 61 -2.721 9.063 -2.623 1.00 34.20 H new ATOM 0 HA ALA A 61 -3.064 11.543 -1.294 1.00 74.25 H new ATOM 0 HB1 ALA A 61 -0.585 11.573 -1.323 1.00 74.34 H new ATOM 0 HB2 ALA A 61 -1.221 9.989 -0.822 1.00 74.34 H new ATOM 0 HB3 ALA A 61 -0.591 10.213 -2.471 1.00 74.34 H new ATOM 954 N LEU A 62 -2.170 11.701 -4.469 1.00 54.23 N ATOM 955 CA LEU A 62 -2.009 12.599 -5.624 1.00 25.35 C ATOM 956 C LEU A 62 -3.310 13.337 -5.980 1.00 20.32 C ATOM 957 O LEU A 62 -3.285 14.527 -6.295 1.00 3.12 O ATOM 958 CB LEU A 62 -1.501 11.818 -6.845 1.00 33.14 C ATOM 959 CG LEU A 62 -0.077 11.249 -6.715 1.00 74.12 C ATOM 960 CD1 LEU A 62 0.305 10.462 -7.968 1.00 1.42 C ATOM 961 CD2 LEU A 62 0.934 12.366 -6.444 1.00 35.45 C ATOM 0 H LEU A 62 -2.069 10.711 -4.694 1.00 54.23 H new ATOM 0 HA LEU A 62 -1.273 13.351 -5.339 1.00 25.35 H new ATOM 0 HB2 LEU A 62 -2.187 10.994 -7.040 1.00 33.14 H new ATOM 0 HB3 LEU A 62 -1.535 12.474 -7.715 1.00 33.14 H new ATOM 0 HG LEU A 62 -0.060 10.566 -5.865 1.00 74.12 H new ATOM 0 HD11 LEU A 62 1.315 10.068 -7.856 1.00 1.42 H new ATOM 0 HD12 LEU A 62 -0.393 9.637 -8.106 1.00 1.42 H new ATOM 0 HD13 LEU A 62 0.266 11.119 -8.837 1.00 1.42 H new ATOM 0 HD21 LEU A 62 1.933 11.939 -6.356 1.00 35.45 H new ATOM 0 HD22 LEU A 62 0.916 13.081 -7.267 1.00 35.45 H new ATOM 0 HD23 LEU A 62 0.674 12.875 -5.516 1.00 35.45 H new ATOM 973 N ARG A 63 -4.447 12.643 -5.930 1.00 1.43 N ATOM 974 CA ARG A 63 -5.735 13.272 -6.263 1.00 31.12 C ATOM 975 C ARG A 63 -6.138 14.321 -5.211 1.00 4.04 C ATOM 976 O ARG A 63 -6.910 15.237 -5.500 1.00 14.23 O ATOM 977 CB ARG A 63 -6.839 12.217 -6.438 1.00 71.40 C ATOM 978 CG ARG A 63 -7.187 11.446 -5.171 1.00 32.53 C ATOM 979 CD ARG A 63 -8.193 10.331 -5.452 1.00 12.03 C ATOM 980 NE ARG A 63 -9.439 10.841 -6.029 1.00 24.34 N ATOM 981 CZ ARG A 63 -9.962 10.425 -7.154 1.00 33.14 C ATOM 982 NH1 ARG A 63 -9.378 9.509 -7.861 1.00 14.11 N ATOM 983 NH2 ARG A 63 -11.075 10.931 -7.569 1.00 74.10 N ATOM 0 H ARG A 63 -4.508 11.659 -5.667 1.00 1.43 H new ATOM 0 HA ARG A 63 -5.610 13.789 -7.214 1.00 31.12 H new ATOM 0 HB2 ARG A 63 -7.739 12.710 -6.806 1.00 71.40 H new ATOM 0 HB3 ARG A 63 -6.527 11.508 -7.205 1.00 71.40 H new ATOM 0 HG2 ARG A 63 -6.280 11.019 -4.743 1.00 32.53 H new ATOM 0 HG3 ARG A 63 -7.599 12.130 -4.429 1.00 32.53 H new ATOM 0 HD2 ARG A 63 -7.748 9.607 -6.135 1.00 12.03 H new ATOM 0 HD3 ARG A 63 -8.414 9.802 -4.525 1.00 12.03 H new ATOM 0 HE ARG A 63 -9.934 11.572 -5.518 1.00 24.34 H new ATOM 0 HH11 ARG A 63 -8.499 9.102 -7.542 1.00 14.11 H new ATOM 0 HH12 ARG A 63 -9.798 9.195 -8.736 1.00 14.11 H new ATOM 0 HH21 ARG A 63 -11.543 11.652 -7.020 1.00 74.10 H new ATOM 0 HH22 ARG A 63 -11.486 10.609 -8.445 1.00 74.10 H new ATOM 997 N GLU A 64 -5.617 14.182 -3.988 1.00 54.32 N ATOM 998 CA GLU A 64 -5.768 15.220 -2.957 1.00 3.03 C ATOM 999 C GLU A 64 -4.586 16.208 -2.992 1.00 63.12 C ATOM 1000 O GLU A 64 -4.588 17.217 -2.289 1.00 2.23 O ATOM 1001 CB GLU A 64 -5.867 14.589 -1.562 1.00 63.13 C ATOM 1002 CG GLU A 64 -7.104 13.724 -1.353 1.00 50.32 C ATOM 1003 CD GLU A 64 -7.233 13.243 0.084 1.00 33.23 C ATOM 1004 OE1 GLU A 64 -6.660 12.188 0.419 1.00 14.10 O ATOM 1005 OE2 GLU A 64 -7.888 13.934 0.893 1.00 32.23 O ATOM 0 H GLU A 64 -5.088 13.364 -3.686 1.00 54.32 H new ATOM 0 HA GLU A 64 -6.688 15.764 -3.169 1.00 3.03 H new ATOM 0 HB2 GLU A 64 -4.979 13.982 -1.387 1.00 63.13 H new ATOM 0 HB3 GLU A 64 -5.863 15.383 -0.815 1.00 63.13 H new ATOM 0 HG2 GLU A 64 -7.993 14.293 -1.625 1.00 50.32 H new ATOM 0 HG3 GLU A 64 -7.060 12.863 -2.020 1.00 50.32 H new ATOM 1012 N ARG A 65 -3.588 15.894 -3.824 1.00 0.22 N ATOM 1013 CA ARG A 65 -2.367 16.704 -3.971 1.00 0.32 C ATOM 1014 C ARG A 65 -1.534 16.750 -2.677 1.00 74.42 C ATOM 1015 O ARG A 65 -0.769 17.689 -2.447 1.00 12.02 O ATOM 1016 CB ARG A 65 -2.691 18.123 -4.485 1.00 41.13 C ATOM 1017 CG ARG A 65 -3.153 18.156 -5.947 1.00 2.12 C ATOM 1018 CD ARG A 65 -4.578 17.635 -6.120 1.00 35.51 C ATOM 1019 NE ARG A 65 -4.862 17.238 -7.499 1.00 22.05 N ATOM 1020 CZ ARG A 65 -5.932 17.582 -8.163 1.00 73.44 C ATOM 1021 NH1 ARG A 65 -6.802 18.396 -7.652 1.00 51.35 N ATOM 1022 NH2 ARG A 65 -6.126 17.107 -9.350 1.00 72.11 N ATOM 0 H ARG A 65 -3.601 15.066 -4.420 1.00 0.22 H new ATOM 0 HA ARG A 65 -1.751 16.210 -4.722 1.00 0.32 H new ATOM 0 HB2 ARG A 65 -3.468 18.559 -3.857 1.00 41.13 H new ATOM 0 HB3 ARG A 65 -1.806 18.750 -4.378 1.00 41.13 H new ATOM 0 HG2 ARG A 65 -3.095 19.178 -6.320 1.00 2.12 H new ATOM 0 HG3 ARG A 65 -2.474 17.556 -6.553 1.00 2.12 H new ATOM 0 HD2 ARG A 65 -4.733 16.782 -5.460 1.00 35.51 H new ATOM 0 HD3 ARG A 65 -5.284 18.407 -5.814 1.00 35.51 H new ATOM 0 HE ARG A 65 -4.176 16.652 -7.975 1.00 22.05 H new ATOM 0 HH11 ARG A 65 -6.656 18.778 -6.718 1.00 51.35 H new ATOM 0 HH12 ARG A 65 -7.633 18.655 -8.184 1.00 51.35 H new ATOM 0 HH21 ARG A 65 -5.445 16.468 -9.761 1.00 72.11 H new ATOM 0 HH22 ARG A 65 -6.960 17.371 -9.875 1.00 72.11 H new ATOM 1036 N ARG A 66 -1.653 15.708 -1.858 1.00 73.12 N ATOM 1037 CA ARG A 66 -0.816 15.563 -0.663 1.00 63.34 C ATOM 1038 C ARG A 66 0.595 15.080 -1.032 1.00 51.44 C ATOM 1039 O ARG A 66 0.807 14.475 -2.086 1.00 43.42 O ATOM 1040 CB ARG A 66 -1.453 14.576 0.329 1.00 13.22 C ATOM 1041 CG ARG A 66 -2.656 15.137 1.085 1.00 22.15 C ATOM 1042 CD ARG A 66 -3.231 14.116 2.067 1.00 34.01 C ATOM 1043 NE ARG A 66 -3.937 13.035 1.381 1.00 43.12 N ATOM 1044 CZ ARG A 66 -3.613 11.769 1.438 1.00 52.23 C ATOM 1045 NH1 ARG A 66 -2.554 11.368 2.067 1.00 63.11 N ATOM 1046 NH2 ARG A 66 -4.349 10.906 0.834 1.00 40.22 N ATOM 0 H ARG A 66 -2.321 14.949 -1.997 1.00 73.12 H new ATOM 0 HA ARG A 66 -0.740 16.544 -0.194 1.00 63.34 H new ATOM 0 HB2 ARG A 66 -1.763 13.683 -0.213 1.00 13.22 H new ATOM 0 HB3 ARG A 66 -0.697 14.265 1.050 1.00 13.22 H new ATOM 0 HG2 ARG A 66 -2.359 16.036 1.626 1.00 22.15 H new ATOM 0 HG3 ARG A 66 -3.427 15.433 0.374 1.00 22.15 H new ATOM 0 HD2 ARG A 66 -2.424 13.698 2.669 1.00 34.01 H new ATOM 0 HD3 ARG A 66 -3.914 14.617 2.753 1.00 34.01 H new ATOM 0 HE ARG A 66 -4.746 13.288 0.813 1.00 43.12 H new ATOM 0 HH11 ARG A 66 -1.950 12.045 2.533 1.00 63.11 H new ATOM 0 HH12 ARG A 66 -2.324 10.375 2.096 1.00 63.11 H new ATOM 0 HH21 ARG A 66 -5.174 11.211 0.318 1.00 40.22 H new ATOM 0 HH22 ARG A 66 -4.108 9.916 0.870 1.00 40.22 H new ATOM 1060 N VAL A 67 1.558 15.357 -0.159 1.00 35.13 N ATOM 1061 CA VAL A 67 2.944 14.922 -0.367 1.00 40.25 C ATOM 1062 C VAL A 67 3.219 13.584 0.341 1.00 63.21 C ATOM 1063 O VAL A 67 3.987 12.754 -0.144 1.00 54.13 O ATOM 1064 CB VAL A 67 3.944 15.991 0.146 1.00 61.42 C ATOM 1065 CG1 VAL A 67 5.390 15.568 -0.124 1.00 60.12 C ATOM 1066 CG2 VAL A 67 3.648 17.351 -0.488 1.00 72.24 C ATOM 0 H VAL A 67 1.408 15.882 0.703 1.00 35.13 H new ATOM 0 HA VAL A 67 3.083 14.789 -1.440 1.00 40.25 H new ATOM 0 HB VAL A 67 3.819 16.080 1.225 1.00 61.42 H new ATOM 0 HG11 VAL A 67 6.069 16.336 0.246 1.00 60.12 H new ATOM 0 HG12 VAL A 67 5.595 14.627 0.386 1.00 60.12 H new ATOM 0 HG13 VAL A 67 5.537 15.440 -1.196 1.00 60.12 H new ATOM 0 HG21 VAL A 67 4.360 18.088 -0.116 1.00 72.24 H new ATOM 0 HG22 VAL A 67 3.738 17.274 -1.572 1.00 72.24 H new ATOM 0 HG23 VAL A 67 2.636 17.661 -0.229 1.00 72.24 H new ATOM 1076 N HIS A 68 2.577 13.377 1.489 1.00 74.21 N ATOM 1077 CA HIS A 68 2.793 12.170 2.292 1.00 24.42 C ATOM 1078 C HIS A 68 1.668 11.139 2.110 1.00 31.40 C ATOM 1079 O HIS A 68 0.488 11.441 2.315 1.00 12.14 O ATOM 1080 CB HIS A 68 2.919 12.540 3.773 1.00 63.32 C ATOM 1081 CG HIS A 68 4.096 13.417 4.067 1.00 32.04 C ATOM 1082 ND1 HIS A 68 3.981 14.758 4.366 1.00 3.34 N ATOM 1083 CD2 HIS A 68 5.421 13.137 4.108 1.00 51.43 C ATOM 1084 CE1 HIS A 68 5.180 15.261 4.577 1.00 5.34 C ATOM 1085 NE2 HIS A 68 6.070 14.303 4.427 1.00 23.21 N ATOM 0 H HIS A 68 1.901 14.029 1.887 1.00 74.21 H new ATOM 0 HA HIS A 68 3.719 11.712 1.943 1.00 24.42 H new ATOM 0 HB2 HIS A 68 2.008 13.047 4.092 1.00 63.32 H new ATOM 0 HB3 HIS A 68 2.999 11.627 4.363 1.00 63.32 H new ATOM 0 HD2 HIS A 68 5.880 12.177 3.924 1.00 51.43 H new ATOM 0 HE1 HIS A 68 5.397 16.288 4.831 1.00 5.34 H new ATOM 0 HE2 HIS A 68 7.079 14.410 4.531 1.00 23.21 H new ATOM 1094 N VAL A 69 2.047 9.919 1.730 1.00 71.14 N ATOM 1095 CA VAL A 69 1.106 8.800 1.623 1.00 44.22 C ATOM 1096 C VAL A 69 0.903 8.141 2.997 1.00 33.51 C ATOM 1097 O VAL A 69 1.871 7.826 3.698 1.00 31.24 O ATOM 1098 CB VAL A 69 1.600 7.736 0.609 1.00 15.15 C ATOM 1099 CG1 VAL A 69 0.576 6.612 0.452 1.00 42.24 C ATOM 1100 CG2 VAL A 69 1.909 8.385 -0.740 1.00 61.43 C ATOM 0 H VAL A 69 3.008 9.677 1.489 1.00 71.14 H new ATOM 0 HA VAL A 69 0.158 9.202 1.265 1.00 44.22 H new ATOM 0 HB VAL A 69 2.519 7.297 0.996 1.00 15.15 H new ATOM 0 HG11 VAL A 69 0.947 5.879 -0.265 1.00 42.24 H new ATOM 0 HG12 VAL A 69 0.416 6.128 1.416 1.00 42.24 H new ATOM 0 HG13 VAL A 69 -0.366 7.026 0.093 1.00 42.24 H new ATOM 0 HG21 VAL A 69 2.254 7.624 -1.439 1.00 61.43 H new ATOM 0 HG22 VAL A 69 1.008 8.856 -1.132 1.00 61.43 H new ATOM 0 HG23 VAL A 69 2.686 9.139 -0.612 1.00 61.43 H new ATOM 1110 N THR A 70 -0.351 7.928 3.376 1.00 31.14 N ATOM 1111 CA THR A 70 -0.679 7.430 4.718 1.00 42.34 C ATOM 1112 C THR A 70 -1.051 5.944 4.706 1.00 33.11 C ATOM 1113 O THR A 70 -1.315 5.361 3.655 1.00 11.22 O ATOM 1114 CB THR A 70 -1.860 8.213 5.338 1.00 43.03 C ATOM 1115 OG1 THR A 70 -3.085 7.843 4.687 1.00 71.42 O ATOM 1116 CG2 THR A 70 -1.651 9.721 5.211 1.00 42.42 C ATOM 0 H THR A 70 -1.161 8.090 2.778 1.00 31.14 H new ATOM 0 HA THR A 70 0.221 7.573 5.316 1.00 42.34 H new ATOM 0 HB THR A 70 -1.913 7.961 6.397 1.00 43.03 H new ATOM 0 HG1 THR A 70 -3.068 8.153 3.757 1.00 71.42 H new ATOM 0 HG21 THR A 70 -2.497 10.244 5.656 1.00 42.42 H new ATOM 0 HG22 THR A 70 -0.735 10.006 5.729 1.00 42.42 H new ATOM 0 HG23 THR A 70 -1.571 9.990 4.158 1.00 42.42 H new ATOM 1124 N GLN A 71 -1.080 5.336 5.894 1.00 11.32 N ATOM 1125 CA GLN A 71 -1.564 3.958 6.046 1.00 62.31 C ATOM 1126 C GLN A 71 -3.020 3.846 5.562 1.00 65.34 C ATOM 1127 O GLN A 71 -3.437 2.818 5.022 1.00 42.44 O ATOM 1128 CB GLN A 71 -1.468 3.529 7.519 1.00 31.50 C ATOM 1129 CG GLN A 71 -1.946 2.104 7.784 1.00 1.32 C ATOM 1130 CD GLN A 71 -1.972 1.756 9.263 1.00 73.02 C ATOM 1131 OE1 GLN A 71 -2.183 2.611 10.114 1.00 23.43 O ATOM 1132 NE2 GLN A 71 -1.742 0.502 9.585 1.00 64.11 N ATOM 0 H GLN A 71 -0.775 5.773 6.764 1.00 11.32 H new ATOM 0 HA GLN A 71 -0.942 3.300 5.440 1.00 62.31 H new ATOM 0 HB2 GLN A 71 -0.432 3.620 7.846 1.00 31.50 H new ATOM 0 HB3 GLN A 71 -2.056 4.217 8.126 1.00 31.50 H new ATOM 0 HG2 GLN A 71 -2.946 1.978 7.368 1.00 1.32 H new ATOM 0 HG3 GLN A 71 -1.293 1.404 7.262 1.00 1.32 H new ATOM 0 HE21 GLN A 71 -1.569 -0.189 8.855 1.00 64.11 H new ATOM 0 HE22 GLN A 71 -1.736 0.220 10.565 1.00 64.11 H new ATOM 1141 N GLU A 72 -3.769 4.931 5.754 1.00 65.13 N ATOM 1142 CA GLU A 72 -5.172 5.005 5.349 1.00 71.13 C ATOM 1143 C GLU A 72 -5.314 4.880 3.822 1.00 61.24 C ATOM 1144 O GLU A 72 -6.228 4.220 3.322 1.00 21.43 O ATOM 1145 CB GLU A 72 -5.775 6.329 5.839 1.00 21.14 C ATOM 1146 CG GLU A 72 -5.562 6.573 7.333 1.00 51.45 C ATOM 1147 CD GLU A 72 -6.105 7.913 7.804 1.00 51.23 C ATOM 1148 OE1 GLU A 72 -7.301 7.983 8.163 1.00 75.53 O ATOM 1149 OE2 GLU A 72 -5.342 8.906 7.814 1.00 32.24 O ATOM 0 H GLU A 72 -3.421 5.783 6.194 1.00 65.13 H new ATOM 0 HA GLU A 72 -5.712 4.173 5.800 1.00 71.13 H new ATOM 0 HB2 GLU A 72 -5.333 7.152 5.277 1.00 21.14 H new ATOM 0 HB3 GLU A 72 -6.844 6.335 5.626 1.00 21.14 H new ATOM 0 HG2 GLU A 72 -6.044 5.774 7.897 1.00 51.45 H new ATOM 0 HG3 GLU A 72 -4.496 6.522 7.555 1.00 51.45 H new ATOM 1156 N ASP A 73 -4.394 5.505 3.087 1.00 22.41 N ATOM 1157 CA ASP A 73 -4.369 5.400 1.626 1.00 61.12 C ATOM 1158 C ASP A 73 -4.085 3.952 1.180 1.00 71.50 C ATOM 1159 O ASP A 73 -4.700 3.451 0.235 1.00 62.52 O ATOM 1160 CB ASP A 73 -3.323 6.358 1.037 1.00 3.44 C ATOM 1161 CG ASP A 73 -3.655 7.816 1.319 1.00 14.31 C ATOM 1162 OD1 ASP A 73 -4.739 8.272 0.902 1.00 22.51 O ATOM 1163 OD2 ASP A 73 -2.837 8.516 1.961 1.00 62.35 O ATOM 0 H ASP A 73 -3.656 6.090 3.479 1.00 22.41 H new ATOM 0 HA ASP A 73 -5.352 5.683 1.250 1.00 61.12 H new ATOM 0 HB2 ASP A 73 -2.343 6.123 1.453 1.00 3.44 H new ATOM 0 HB3 ASP A 73 -3.257 6.204 -0.040 1.00 3.44 H new ATOM 1168 N PHE A 74 -3.161 3.280 1.873 1.00 72.31 N ATOM 1169 CA PHE A 74 -2.841 1.877 1.575 1.00 64.03 C ATOM 1170 C PHE A 74 -4.056 0.951 1.764 1.00 2.32 C ATOM 1171 O PHE A 74 -4.380 0.159 0.879 1.00 4.42 O ATOM 1172 CB PHE A 74 -1.666 1.391 2.436 1.00 20.12 C ATOM 1173 CG PHE A 74 -0.310 1.765 1.886 1.00 23.33 C ATOM 1174 CD1 PHE A 74 0.253 3.003 2.155 1.00 34.41 C ATOM 1175 CD2 PHE A 74 0.404 0.869 1.099 1.00 61.33 C ATOM 1176 CE1 PHE A 74 1.496 3.339 1.650 1.00 1.00 C ATOM 1177 CE2 PHE A 74 1.647 1.201 0.592 1.00 13.20 C ATOM 1178 CZ PHE A 74 2.194 2.437 0.870 1.00 2.10 C ATOM 0 H PHE A 74 -2.623 3.681 2.641 1.00 72.31 H new ATOM 0 HA PHE A 74 -2.554 1.834 0.524 1.00 64.03 H new ATOM 0 HB2 PHE A 74 -1.767 1.805 3.439 1.00 20.12 H new ATOM 0 HB3 PHE A 74 -1.722 0.307 2.532 1.00 20.12 H new ATOM 0 HD1 PHE A 74 -0.285 3.713 2.766 1.00 34.41 H new ATOM 0 HD2 PHE A 74 -0.018 -0.101 0.880 1.00 61.33 H new ATOM 0 HE1 PHE A 74 1.922 4.308 1.866 1.00 1.00 H new ATOM 0 HE2 PHE A 74 2.188 0.495 -0.020 1.00 13.20 H new ATOM 0 HZ PHE A 74 3.166 2.699 0.479 1.00 2.10 H new ATOM 1188 N GLU A 75 -4.731 1.049 2.911 1.00 41.32 N ATOM 1189 CA GLU A 75 -5.913 0.211 3.168 1.00 72.14 C ATOM 1190 C GLU A 75 -7.063 0.553 2.204 1.00 42.25 C ATOM 1191 O GLU A 75 -7.847 -0.319 1.829 1.00 42.54 O ATOM 1192 CB GLU A 75 -6.368 0.319 4.630 1.00 41.30 C ATOM 1193 CG GLU A 75 -6.702 1.731 5.089 1.00 34.23 C ATOM 1194 CD GLU A 75 -7.094 1.777 6.557 1.00 53.12 C ATOM 1195 OE1 GLU A 75 -6.187 1.823 7.419 1.00 71.23 O ATOM 1196 OE2 GLU A 75 -8.306 1.738 6.856 1.00 60.30 O ATOM 0 H GLU A 75 -4.488 1.688 3.668 1.00 41.32 H new ATOM 0 HA GLU A 75 -5.624 -0.824 2.986 1.00 72.14 H new ATOM 0 HB2 GLU A 75 -7.246 -0.311 4.771 1.00 41.30 H new ATOM 0 HB3 GLU A 75 -5.582 -0.081 5.271 1.00 41.30 H new ATOM 0 HG2 GLU A 75 -5.841 2.379 4.924 1.00 34.23 H new ATOM 0 HG3 GLU A 75 -7.518 2.125 4.484 1.00 34.23 H new ATOM 1203 N MET A 76 -7.154 1.823 1.800 1.00 32.21 N ATOM 1204 CA MET A 76 -8.086 2.225 0.737 1.00 50.41 C ATOM 1205 C MET A 76 -7.743 1.527 -0.587 1.00 43.14 C ATOM 1206 O MET A 76 -8.624 1.216 -1.392 1.00 24.11 O ATOM 1207 CB MET A 76 -8.074 3.750 0.546 1.00 73.04 C ATOM 1208 CG MET A 76 -8.838 4.508 1.624 1.00 61.54 C ATOM 1209 SD MET A 76 -10.586 4.057 1.675 1.00 22.03 S ATOM 1210 CE MET A 76 -11.099 4.453 0.003 1.00 4.15 C ATOM 0 H MET A 76 -6.600 2.587 2.188 1.00 32.21 H new ATOM 0 HA MET A 76 -9.087 1.919 1.042 1.00 50.41 H new ATOM 0 HB2 MET A 76 -7.041 4.098 0.533 1.00 73.04 H new ATOM 0 HB3 MET A 76 -8.503 3.989 -0.427 1.00 73.04 H new ATOM 0 HG2 MET A 76 -8.385 4.308 2.595 1.00 61.54 H new ATOM 0 HG3 MET A 76 -8.747 5.579 1.445 1.00 61.54 H new ATOM 0 HE1 MET A 76 -12.184 4.554 -0.030 1.00 4.15 H new ATOM 0 HE2 MET A 76 -10.638 5.391 -0.307 1.00 4.15 H new ATOM 0 HE3 MET A 76 -10.788 3.655 -0.672 1.00 4.15 H new ATOM 1220 N ALA A 77 -6.454 1.299 -0.818 1.00 3.20 N ATOM 1221 CA ALA A 77 -5.998 0.537 -1.983 1.00 54.00 C ATOM 1222 C ALA A 77 -6.327 -0.956 -1.826 1.00 2.41 C ATOM 1223 O ALA A 77 -6.678 -1.630 -2.795 1.00 24.40 O ATOM 1224 CB ALA A 77 -4.506 0.746 -2.198 1.00 14.31 C ATOM 0 H ALA A 77 -5.702 1.631 -0.214 1.00 3.20 H new ATOM 0 HA ALA A 77 -6.527 0.902 -2.863 1.00 54.00 H new ATOM 0 HB1 ALA A 77 -4.180 0.174 -3.067 1.00 14.31 H new ATOM 0 HB2 ALA A 77 -4.307 1.805 -2.365 1.00 14.31 H new ATOM 0 HB3 ALA A 77 -3.961 0.409 -1.316 1.00 14.31 H new ATOM 1230 N VAL A 78 -6.225 -1.465 -0.598 1.00 44.50 N ATOM 1231 CA VAL A 78 -6.616 -2.847 -0.298 1.00 71.52 C ATOM 1232 C VAL A 78 -8.108 -3.073 -0.598 1.00 24.53 C ATOM 1233 O VAL A 78 -8.486 -4.075 -1.209 1.00 12.40 O ATOM 1234 CB VAL A 78 -6.326 -3.212 1.179 1.00 44.33 C ATOM 1235 CG1 VAL A 78 -6.790 -4.632 1.494 1.00 70.05 C ATOM 1236 CG2 VAL A 78 -4.840 -3.050 1.491 1.00 23.45 C ATOM 0 H VAL A 78 -5.876 -0.943 0.206 1.00 44.50 H new ATOM 0 HA VAL A 78 -6.019 -3.495 -0.940 1.00 71.52 H new ATOM 0 HB VAL A 78 -6.888 -2.526 1.812 1.00 44.33 H new ATOM 0 HG11 VAL A 78 -6.574 -4.862 2.537 1.00 70.05 H new ATOM 0 HG12 VAL A 78 -7.863 -4.711 1.319 1.00 70.05 H new ATOM 0 HG13 VAL A 78 -6.264 -5.338 0.851 1.00 70.05 H new ATOM 0 HG21 VAL A 78 -4.656 -3.311 2.533 1.00 23.45 H new ATOM 0 HG22 VAL A 78 -4.259 -3.707 0.844 1.00 23.45 H new ATOM 0 HG23 VAL A 78 -4.543 -2.016 1.318 1.00 23.45 H new ATOM 1246 N ALA A 79 -8.951 -2.132 -0.169 1.00 21.51 N ATOM 1247 CA ALA A 79 -10.384 -2.170 -0.490 1.00 5.45 C ATOM 1248 C ALA A 79 -10.613 -2.094 -2.009 1.00 12.34 C ATOM 1249 O ALA A 79 -11.544 -2.696 -2.544 1.00 5.42 O ATOM 1250 CB ALA A 79 -11.117 -1.029 0.214 1.00 24.34 C ATOM 0 H ALA A 79 -8.669 -1.334 0.401 1.00 21.51 H new ATOM 0 HA ALA A 79 -10.785 -3.119 -0.134 1.00 5.45 H new ATOM 0 HB1 ALA A 79 -12.178 -1.070 -0.034 1.00 24.34 H new ATOM 0 HB2 ALA A 79 -10.992 -1.127 1.292 1.00 24.34 H new ATOM 0 HB3 ALA A 79 -10.705 -0.075 -0.114 1.00 24.34 H new ATOM 1256 N LYS A 80 -9.748 -1.347 -2.689 1.00 10.34 N ATOM 1257 CA LYS A 80 -9.788 -1.218 -4.148 1.00 23.41 C ATOM 1258 C LYS A 80 -9.471 -2.553 -4.850 1.00 43.35 C ATOM 1259 O LYS A 80 -10.112 -2.912 -5.839 1.00 71.11 O ATOM 1260 CB LYS A 80 -8.786 -0.138 -4.589 1.00 24.01 C ATOM 1261 CG LYS A 80 -8.662 0.042 -6.102 1.00 73.34 C ATOM 1262 CD LYS A 80 -9.951 0.557 -6.738 1.00 72.22 C ATOM 1263 CE LYS A 80 -10.393 1.892 -6.146 1.00 23.42 C ATOM 1264 NZ LYS A 80 -9.308 2.911 -6.175 1.00 31.31 N ATOM 0 H LYS A 80 -8.999 -0.813 -2.248 1.00 10.34 H new ATOM 0 HA LYS A 80 -10.799 -0.930 -4.438 1.00 23.41 H new ATOM 0 HB2 LYS A 80 -9.081 0.814 -4.147 1.00 24.01 H new ATOM 0 HB3 LYS A 80 -7.804 -0.386 -4.185 1.00 24.01 H new ATOM 0 HG2 LYS A 80 -7.852 0.739 -6.316 1.00 73.34 H new ATOM 0 HG3 LYS A 80 -8.392 -0.911 -6.557 1.00 73.34 H new ATOM 0 HD2 LYS A 80 -9.805 0.669 -7.812 1.00 72.22 H new ATOM 0 HD3 LYS A 80 -10.742 -0.180 -6.599 1.00 72.22 H new ATOM 0 HE2 LYS A 80 -11.254 2.265 -6.701 1.00 23.42 H new ATOM 0 HE3 LYS A 80 -10.718 1.740 -5.117 1.00 23.42 H new ATOM 0 HZ1 LYS A 80 -9.726 3.863 -6.211 1.00 31.31 H new ATOM 0 HZ2 LYS A 80 -8.724 2.821 -5.319 1.00 31.31 H new ATOM 0 HZ3 LYS A 80 -8.714 2.762 -7.016 1.00 31.31 H new ATOM 1278 N VAL A 81 -8.480 -3.281 -4.337 1.00 62.41 N ATOM 1279 CA VAL A 81 -8.041 -4.539 -4.955 1.00 53.53 C ATOM 1280 C VAL A 81 -8.795 -5.762 -4.395 1.00 3.25 C ATOM 1281 O VAL A 81 -9.504 -6.456 -5.129 1.00 65.03 O ATOM 1282 CB VAL A 81 -6.514 -4.748 -4.768 1.00 52.30 C ATOM 1283 CG1 VAL A 81 -6.057 -6.055 -5.418 1.00 54.11 C ATOM 1284 CG2 VAL A 81 -5.729 -3.558 -5.326 1.00 1.23 C ATOM 0 H VAL A 81 -7.964 -3.024 -3.495 1.00 62.41 H new ATOM 0 HA VAL A 81 -8.271 -4.455 -6.017 1.00 53.53 H new ATOM 0 HB VAL A 81 -6.312 -4.815 -3.699 1.00 52.30 H new ATOM 0 HG11 VAL A 81 -4.984 -6.178 -5.273 1.00 54.11 H new ATOM 0 HG12 VAL A 81 -6.583 -6.893 -4.960 1.00 54.11 H new ATOM 0 HG13 VAL A 81 -6.278 -6.027 -6.485 1.00 54.11 H new ATOM 0 HG21 VAL A 81 -4.662 -3.727 -5.184 1.00 1.23 H new ATOM 0 HG22 VAL A 81 -5.940 -3.449 -6.390 1.00 1.23 H new ATOM 0 HG23 VAL A 81 -6.025 -2.649 -4.802 1.00 1.23 H new ATOM 1294 N MET A 82 -8.647 -6.017 -3.091 1.00 3.31 N ATOM 1295 CA MET A 82 -9.233 -7.211 -2.461 1.00 34.12 C ATOM 1296 C MET A 82 -10.769 -7.169 -2.461 1.00 44.03 C ATOM 1297 O MET A 82 -11.420 -8.209 -2.573 1.00 64.02 O ATOM 1298 CB MET A 82 -8.717 -7.363 -1.021 1.00 61.33 C ATOM 1299 CG MET A 82 -7.204 -7.536 -0.922 1.00 74.42 C ATOM 1300 SD MET A 82 -6.608 -9.013 -1.768 1.00 4.53 S ATOM 1301 CE MET A 82 -7.432 -10.310 -0.843 1.00 22.42 C ATOM 0 H MET A 82 -8.128 -5.416 -2.450 1.00 3.31 H new ATOM 0 HA MET A 82 -8.924 -8.072 -3.053 1.00 34.12 H new ATOM 0 HB2 MET A 82 -9.011 -6.485 -0.445 1.00 61.33 H new ATOM 0 HB3 MET A 82 -9.202 -8.223 -0.560 1.00 61.33 H new ATOM 0 HG2 MET A 82 -6.715 -6.659 -1.346 1.00 74.42 H new ATOM 0 HG3 MET A 82 -6.917 -7.585 0.128 1.00 74.42 H new ATOM 0 HE1 MET A 82 -6.695 -11.037 -0.501 1.00 22.42 H new ATOM 0 HE2 MET A 82 -7.941 -9.876 0.018 1.00 22.42 H new ATOM 0 HE3 MET A 82 -8.161 -10.806 -1.483 1.00 22.42 H new ATOM 1311 N GLN A 83 -11.340 -5.961 -2.340 1.00 62.20 N ATOM 1312 CA GLN A 83 -12.803 -5.764 -2.406 1.00 20.01 C ATOM 1313 C GLN A 83 -13.574 -6.709 -1.459 1.00 10.25 C ATOM 1314 O GLN A 83 -14.729 -7.060 -1.708 1.00 13.24 O ATOM 1315 CB GLN A 83 -13.267 -5.945 -3.860 1.00 52.24 C ATOM 1316 CG GLN A 83 -12.642 -4.935 -4.820 1.00 73.23 C ATOM 1317 CD GLN A 83 -12.825 -5.311 -6.280 1.00 14.42 C ATOM 1318 OE1 GLN A 83 -13.806 -4.938 -6.921 1.00 32.12 O ATOM 1319 NE2 GLN A 83 -11.879 -6.051 -6.822 1.00 5.31 N ATOM 0 H GLN A 83 -10.812 -5.101 -2.195 1.00 62.20 H new ATOM 0 HA GLN A 83 -13.025 -4.752 -2.068 1.00 20.01 H new ATOM 0 HB2 GLN A 83 -13.019 -6.953 -4.191 1.00 52.24 H new ATOM 0 HB3 GLN A 83 -14.352 -5.854 -3.902 1.00 52.24 H new ATOM 0 HG2 GLN A 83 -13.084 -3.954 -4.645 1.00 73.23 H new ATOM 0 HG3 GLN A 83 -11.577 -4.848 -4.604 1.00 73.23 H new ATOM 0 HE21 GLN A 83 -11.078 -6.344 -6.263 1.00 5.31 H new ATOM 0 HE22 GLN A 83 -11.948 -6.331 -7.800 1.00 5.31 H new