USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 743 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 63 CYS SG : rot -78:sc= -0.242 USER MOD Set 1.2: A 100 CYS SG : rot 180:sc= 0.174 USER MOD Single : A 17 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -72:sc= 1.71 USER MOD Single : A 25 MET CE :methyl 175:sc= -1.64 (180deg=-1.71) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.027 K(o=-0.027,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ -123:sc= -0.141 (180deg=-0.58) USER MOD Single : A 35 CYS SG : rot 37:sc= 0.0327 USER MOD Single : A 37 SER OG : rot -86:sc= 1.29 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -98:sc= -0.409 (180deg=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -0.508 K(o=-0.51,f=-1.1) USER MOD Single : A 64 HIS : no HE2:sc= -0.438 K(o=-0.44,f=-1) USER MOD Single : A 72 TYR OH : rot -77:sc= 0.165 USER MOD Single : A 74 LYS NZ :NH3+ -172:sc=-0.00414 (180deg=-0.148) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.877 K(o=-0.88,f=-1.5) USER MOD Single : A 93 THR OG1 : rot 180:sc=-0.00322 USER MOD Single : A 95 THR OG1 : rot 141:sc= 0.0224 USER MOD Single : A 96 SER OG : rot -22:sc= 0.185 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0323 USER MOD Single : A 110 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.4!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 1.339 7.107 -17.700 1.00 62.40 N ATOM 154 CA ARG A 13 2.112 6.249 -16.811 1.00 13.43 C ATOM 155 C ARG A 13 3.128 5.425 -17.597 1.00 51.13 C ATOM 156 O ARG A 13 2.835 4.940 -18.691 1.00 65.25 O ATOM 157 CB ARG A 13 1.182 5.320 -16.028 1.00 71.33 C ATOM 158 CG ARG A 13 1.918 4.284 -15.195 1.00 64.41 C ATOM 159 CD ARG A 13 0.949 3.354 -14.480 1.00 64.44 C ATOM 160 NE ARG A 13 0.085 2.639 -15.417 1.00 53.53 N ATOM 161 CZ ARG A 13 0.468 1.562 -16.094 1.00 72.45 C ATOM 162 NH1 ARG A 13 1.693 1.078 -15.939 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -0.376 0.967 -16.926 1.00 74.21 N ATOM 0 HA ARG A 13 2.652 6.887 -16.111 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.551 5.920 -15.372 1.00 71.33 H new ATOM 0 HB3 ARG A 13 0.520 4.809 -16.727 1.00 71.33 H new ATOM 0 HG2 ARG A 13 2.577 3.700 -15.837 1.00 64.41 H new ATOM 0 HG3 ARG A 13 2.550 4.786 -14.462 1.00 64.41 H new ATOM 0 HD2 ARG A 13 1.510 2.635 -13.883 1.00 64.44 H new ATOM 0 HD3 ARG A 13 0.335 3.932 -13.789 1.00 64.44 H new ATOM 0 HE ARG A 13 -0.864 2.986 -15.559 1.00 53.53 H new ATOM 0 HH11 ARG A 13 2.344 1.533 -15.299 1.00 1.02 H new ATOM 0 HH12 ARG A 13 1.984 0.251 -16.460 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -1.319 1.336 -17.046 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -0.082 0.140 -17.446 1.00 74.21 H new ATOM 177 N ILE A 14 4.321 5.272 -17.033 1.00 31.23 N ATOM 178 CA ILE A 14 5.379 4.508 -17.682 1.00 21.45 C ATOM 179 C ILE A 14 5.690 3.233 -16.905 1.00 33.43 C ATOM 180 O ILE A 14 5.849 3.244 -15.683 1.00 4.22 O ATOM 181 CB ILE A 14 6.668 5.337 -17.823 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.387 6.631 -18.591 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.748 4.524 -18.521 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.659 7.883 -17.788 1.00 72.40 C ATOM 0 H ILE A 14 4.579 5.667 -16.129 1.00 31.23 H new ATOM 0 HA ILE A 14 5.016 4.247 -18.676 1.00 21.45 H new ATOM 0 HB ILE A 14 7.025 5.598 -16.827 1.00 63.41 H new ATOM 0 HG12 ILE A 14 6.998 6.648 -19.493 1.00 40.21 H new ATOM 0 HG13 ILE A 14 5.345 6.634 -18.912 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.653 5.124 -18.613 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.964 3.629 -17.937 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.402 4.235 -19.513 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.438 8.760 -18.396 1.00 72.40 H new ATOM 0 HD12 ILE A 14 6.028 7.889 -16.899 1.00 72.40 H new ATOM 0 HD13 ILE A 14 7.707 7.903 -17.490 1.00 72.40 H new ATOM 196 N PRO A 15 5.783 2.107 -17.627 1.00 52.44 N ATOM 197 CA PRO A 15 6.080 0.803 -17.027 1.00 71.33 C ATOM 198 C PRO A 15 7.515 0.711 -16.520 1.00 44.54 C ATOM 199 O PRO A 15 8.231 1.710 -16.474 1.00 21.35 O ATOM 200 CB PRO A 15 5.858 -0.178 -18.182 1.00 32.33 C ATOM 201 CG PRO A 15 6.080 0.630 -19.413 1.00 35.51 C ATOM 202 CD PRO A 15 5.607 2.021 -19.088 1.00 52.11 C ATOM 0 HA PRO A 15 5.457 0.605 -16.155 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.552 -1.016 -18.128 1.00 32.33 H new ATOM 0 HB3 PRO A 15 4.851 -0.596 -18.159 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.133 0.632 -19.694 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.526 0.217 -20.256 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.194 2.777 -19.609 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.567 2.170 -19.377 1.00 52.11 H new ATOM 210 N GLU A 16 7.927 -0.494 -16.138 1.00 24.10 N ATOM 211 CA GLU A 16 9.277 -0.714 -15.633 1.00 63.23 C ATOM 212 C GLU A 16 10.317 -0.143 -16.593 1.00 23.52 C ATOM 213 O GLU A 16 10.053 0.022 -17.784 1.00 3.13 O ATOM 214 CB GLU A 16 9.529 -2.208 -15.421 1.00 12.45 C ATOM 215 CG GLU A 16 10.735 -2.504 -14.547 1.00 54.23 C ATOM 216 CD GLU A 16 10.688 -3.892 -13.938 1.00 62.22 C ATOM 217 OE1 GLU A 16 10.962 -4.868 -14.668 1.00 73.31 O ATOM 218 OE2 GLU A 16 10.377 -4.004 -12.735 1.00 11.13 O1- ATOM 0 H GLU A 16 7.346 -1.332 -16.169 1.00 24.10 H new ATOM 0 HA GLU A 16 9.368 -0.198 -14.677 1.00 63.23 H new ATOM 0 HB2 GLU A 16 8.644 -2.656 -14.969 1.00 12.45 H new ATOM 0 HB3 GLU A 16 9.668 -2.686 -16.391 1.00 12.45 H new ATOM 0 HG2 GLU A 16 11.643 -2.403 -15.141 1.00 54.23 H new ATOM 0 HG3 GLU A 16 10.792 -1.763 -13.749 1.00 54.23 H new ATOM 225 N GLN A 17 11.499 0.157 -16.064 1.00 15.32 N ATOM 226 CA GLN A 17 12.579 0.712 -16.873 1.00 43.30 C ATOM 227 C GLN A 17 13.194 -0.360 -17.767 1.00 14.04 C ATOM 228 O GLN A 17 13.067 -1.555 -17.496 1.00 32.12 O ATOM 229 CB GLN A 17 13.654 1.325 -15.975 1.00 2.54 C ATOM 230 CG GLN A 17 14.247 0.342 -14.978 1.00 15.05 C ATOM 231 CD GLN A 17 15.756 0.440 -14.889 1.00 5.52 C ATOM 232 OE1 GLN A 17 16.431 0.725 -15.878 1.00 25.01 O ATOM 233 NE2 GLN A 17 16.296 0.206 -13.697 1.00 30.14 N ATOM 0 H GLN A 17 11.733 0.025 -15.080 1.00 15.32 H new ATOM 0 HA GLN A 17 12.160 1.492 -17.509 1.00 43.30 H new ATOM 0 HB2 GLN A 17 14.454 1.723 -16.600 1.00 2.54 H new ATOM 0 HB3 GLN A 17 13.225 2.167 -15.431 1.00 2.54 H new ATOM 0 HG2 GLN A 17 13.816 0.525 -13.994 1.00 15.05 H new ATOM 0 HG3 GLN A 17 13.969 -0.672 -15.264 1.00 15.05 H new ATOM 0 HE21 GLN A 17 15.699 -0.027 -12.904 1.00 30.14 H new ATOM 0 HE22 GLN A 17 17.307 0.260 -13.576 1.00 30.14 H new ATOM 242 N ILE A 18 13.861 0.075 -18.831 1.00 24.21 N ATOM 243 CA ILE A 18 14.497 -0.848 -19.763 1.00 45.03 C ATOM 244 C ILE A 18 15.884 -0.356 -20.162 1.00 53.13 C ATOM 245 O ILE A 18 16.307 0.730 -19.764 1.00 34.14 O ATOM 246 CB ILE A 18 13.647 -1.040 -21.032 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.228 0.316 -21.602 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.426 -1.894 -20.727 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.304 0.388 -23.111 1.00 51.52 C ATOM 0 H ILE A 18 13.975 1.060 -19.069 1.00 24.21 H new ATOM 0 HA ILE A 18 14.588 -1.805 -19.249 1.00 45.03 H new ATOM 0 HB ILE A 18 14.249 -1.556 -21.780 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.207 0.533 -21.287 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.865 1.092 -21.177 1.00 64.44 H new ATOM 0 HG21 ILE A 18 11.835 -2.021 -21.634 1.00 30.13 H new ATOM 0 HG22 ILE A 18 12.746 -2.870 -20.363 1.00 30.13 H new ATOM 0 HG23 ILE A 18 11.820 -1.404 -19.965 1.00 30.13 H new ATOM 0 HD11 ILE A 18 12.993 1.378 -23.444 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.329 0.202 -23.433 1.00 51.52 H new ATOM 0 HD13 ILE A 18 12.646 -0.365 -23.545 1.00 51.52 H new ATOM 261 N ARG A 19 16.586 -1.160 -20.954 1.00 71.23 N ATOM 262 CA ARG A 19 17.926 -0.807 -21.408 1.00 75.34 C ATOM 263 C ARG A 19 17.970 -0.692 -22.929 1.00 62.41 C ATOM 264 O ARG A 19 17.557 -1.606 -23.643 1.00 51.13 O ATOM 265 CB ARG A 19 18.940 -1.850 -20.935 1.00 70.32 C ATOM 266 CG ARG A 19 20.385 -1.446 -21.173 1.00 12.13 C ATOM 267 CD ARG A 19 20.932 -2.061 -22.452 1.00 72.31 C ATOM 268 NE ARG A 19 22.350 -2.394 -22.336 1.00 22.42 N ATOM 269 CZ ARG A 19 22.806 -3.442 -21.660 1.00 11.21 C ATOM 270 NH1 ARG A 19 21.962 -4.254 -21.041 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 24.110 -3.678 -21.601 1.00 23.13 N ATOM 0 H ARG A 19 16.249 -2.060 -21.295 1.00 71.23 H new ATOM 0 HA ARG A 19 18.185 0.161 -20.979 1.00 75.34 H new ATOM 0 HB2 ARG A 19 18.793 -2.031 -19.870 1.00 70.32 H new ATOM 0 HB3 ARG A 19 18.746 -2.792 -21.448 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.455 -0.360 -21.231 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.996 -1.760 -20.327 1.00 12.13 H new ATOM 0 HD2 ARG A 19 20.367 -2.961 -22.692 1.00 72.31 H new ATOM 0 HD3 ARG A 19 20.789 -1.365 -23.279 1.00 72.31 H new ATOM 0 HE ARG A 19 23.027 -1.788 -22.800 1.00 22.42 H new ATOM 0 HH11 ARG A 19 20.959 -4.075 -21.083 1.00 43.31 H new ATOM 0 HH12 ARG A 19 22.315 -5.058 -20.523 1.00 43.31 H new ATOM 0 HH21 ARG A 19 24.763 -3.054 -22.075 1.00 23.13 H new ATOM 0 HH22 ARG A 19 24.460 -4.483 -21.082 1.00 23.13 H new ATOM 285 N ILE A 20 18.474 0.437 -23.417 1.00 35.55 N ATOM 286 CA ILE A 20 18.573 0.670 -24.853 1.00 64.45 C ATOM 287 C ILE A 20 20.030 0.753 -25.297 1.00 32.03 C ATOM 288 O ILE A 20 20.930 0.942 -24.478 1.00 53.21 O ATOM 289 CB ILE A 20 17.848 1.966 -25.263 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.414 3.159 -24.490 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.352 1.834 -25.023 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.033 4.498 -25.083 1.00 21.13 C ATOM 0 H ILE A 20 18.820 1.204 -22.840 1.00 35.55 H new ATOM 0 HA ILE A 20 18.094 -0.176 -25.345 1.00 64.45 H new ATOM 0 HB ILE A 20 18.012 2.136 -26.327 1.00 75.13 H new ATOM 0 HG12 ILE A 20 18.062 3.114 -23.459 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.501 3.080 -24.460 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.853 2.757 -25.317 1.00 21.23 H new ATOM 0 HG22 ILE A 20 15.960 1.006 -25.614 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.169 1.644 -23.966 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.468 5.298 -24.484 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.408 4.564 -26.104 1.00 21.13 H new ATOM 0 HD13 ILE A 20 16.948 4.598 -25.088 1.00 21.13 H new ATOM 304 N PHE A 21 20.253 0.612 -26.599 1.00 73.53 N ATOM 305 CA PHE A 21 21.602 0.672 -27.154 1.00 64.54 C ATOM 306 C PHE A 21 21.726 1.814 -28.157 1.00 32.43 C ATOM 307 O PHE A 21 20.931 1.925 -29.090 1.00 22.23 O ATOM 308 CB PHE A 21 21.959 -0.655 -27.826 1.00 22.21 C ATOM 309 CG PHE A 21 22.847 -1.531 -26.990 1.00 75.22 C ATOM 310 CD1 PHE A 21 22.368 -2.712 -26.449 1.00 21.22 C ATOM 311 CD2 PHE A 21 24.164 -1.172 -26.747 1.00 14.32 C ATOM 312 CE1 PHE A 21 23.184 -3.520 -25.680 1.00 63.25 C ATOM 313 CE2 PHE A 21 24.984 -1.976 -25.979 1.00 44.12 C ATOM 314 CZ PHE A 21 24.494 -3.151 -25.443 1.00 20.14 C ATOM 0 H PHE A 21 19.519 0.456 -27.290 1.00 73.53 H new ATOM 0 HA PHE A 21 22.298 0.854 -26.335 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.041 -1.196 -28.055 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.454 -0.451 -28.775 1.00 22.21 H new ATOM 0 HD1 PHE A 21 21.344 -3.005 -26.630 1.00 21.22 H new ATOM 0 HD2 PHE A 21 24.553 -0.254 -27.162 1.00 14.32 H new ATOM 0 HE1 PHE A 21 22.798 -4.439 -25.265 1.00 63.25 H new ATOM 0 HE2 PHE A 21 26.008 -1.686 -25.798 1.00 44.12 H new ATOM 0 HZ PHE A 21 25.133 -3.779 -24.840 1.00 20.14 H new ATOM 324 N PHE A 22 22.731 2.662 -27.959 1.00 34.14 N ATOM 325 CA PHE A 22 22.960 3.796 -28.845 1.00 71.33 C ATOM 326 C PHE A 22 24.059 3.483 -29.856 1.00 24.13 C ATOM 327 O PHE A 22 25.245 3.494 -29.526 1.00 42.03 O ATOM 328 CB PHE A 22 23.337 5.037 -28.034 1.00 34.11 C ATOM 329 CG PHE A 22 22.168 5.927 -27.720 1.00 21.32 C ATOM 330 CD1 PHE A 22 21.863 6.257 -26.410 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.374 6.433 -28.738 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.788 7.076 -26.119 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.299 7.253 -28.451 1.00 34.04 C ATOM 334 CZ PHE A 22 20.004 7.573 -27.141 1.00 31.31 C ATOM 0 H PHE A 22 23.399 2.584 -27.192 1.00 34.14 H new ATOM 0 HA PHE A 22 22.036 3.992 -29.388 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.805 4.723 -27.101 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.081 5.610 -28.587 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.472 5.870 -25.606 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.598 6.184 -29.765 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.562 7.327 -25.093 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.689 7.644 -29.252 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.162 8.211 -26.916 1.00 31.31 H new ATOM 344 N LYS A 23 23.656 3.203 -31.091 1.00 30.42 N ATOM 345 CA LYS A 23 24.604 2.887 -32.152 1.00 1.30 C ATOM 346 C LYS A 23 25.112 4.158 -32.825 1.00 12.33 C ATOM 347 O LYS A 23 24.347 4.887 -33.458 1.00 50.24 O ATOM 348 CB LYS A 23 23.952 1.973 -33.193 1.00 51.30 C ATOM 349 CG LYS A 23 24.946 1.118 -33.960 1.00 73.32 C ATOM 350 CD LYS A 23 25.407 1.806 -35.233 1.00 53.34 C ATOM 351 CE LYS A 23 26.323 0.909 -36.051 1.00 11.44 C ATOM 352 NZ LYS A 23 26.978 1.651 -37.163 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.678 3.189 -31.381 1.00 30.42 H new ATOM 0 HA LYS A 23 25.452 2.370 -31.703 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.235 1.322 -32.694 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.390 2.584 -33.899 1.00 51.30 H new ATOM 0 HG2 LYS A 23 25.808 0.905 -33.328 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.488 0.160 -34.208 1.00 73.32 H new ATOM 0 HD2 LYS A 23 24.540 2.085 -35.832 1.00 53.34 H new ATOM 0 HD3 LYS A 23 25.930 2.728 -34.980 1.00 53.34 H new ATOM 0 HE2 LYS A 23 27.086 0.480 -35.401 1.00 11.44 H new ATOM 0 HE3 LYS A 23 25.748 0.078 -36.459 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 27.594 1.005 -37.696 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 26.251 2.039 -37.797 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 27.548 2.429 -36.773 1.00 75.34 H new ATOM 366 N THR A 24 26.408 4.421 -32.685 1.00 1.24 N ATOM 367 CA THR A 24 27.017 5.603 -33.279 1.00 41.43 C ATOM 368 C THR A 24 27.820 5.242 -34.524 1.00 55.05 C ATOM 369 O THR A 24 27.883 4.077 -34.917 1.00 23.40 O ATOM 370 CB THR A 24 27.941 6.323 -32.278 1.00 24.11 C ATOM 371 OG1 THR A 24 29.152 5.578 -32.107 1.00 65.51 O ATOM 372 CG2 THR A 24 27.251 6.495 -30.933 1.00 50.11 C ATOM 0 H THR A 24 27.056 3.830 -32.164 1.00 1.24 H new ATOM 0 HA THR A 24 26.202 6.272 -33.556 1.00 41.43 H new ATOM 0 HB THR A 24 28.175 7.310 -32.677 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.966 4.766 -31.591 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.922 7.006 -30.242 1.00 50.11 H new ATOM 0 HG22 THR A 24 26.345 7.086 -31.062 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.991 5.516 -30.530 1.00 50.11 H new ATOM 380 N MET A 25 28.433 6.248 -35.140 1.00 73.10 N ATOM 381 CA MET A 25 29.234 6.034 -36.339 1.00 52.45 C ATOM 382 C MET A 25 30.583 5.415 -35.990 1.00 2.30 C ATOM 383 O MET A 25 31.271 4.871 -36.855 1.00 33.11 O ATOM 384 CB MET A 25 29.443 7.357 -37.080 1.00 30.23 C ATOM 385 CG MET A 25 28.617 7.480 -38.350 1.00 63.33 C ATOM 386 SD MET A 25 26.940 8.062 -38.035 1.00 45.42 S ATOM 387 CE MET A 25 27.265 9.709 -37.409 1.00 4.22 C ATOM 0 H MET A 25 28.390 7.218 -34.829 1.00 73.10 H new ATOM 0 HA MET A 25 28.695 5.343 -36.987 1.00 52.45 H new ATOM 0 HB2 MET A 25 29.192 8.181 -36.412 1.00 30.23 H new ATOM 0 HB3 MET A 25 30.499 7.460 -37.332 1.00 30.23 H new ATOM 0 HG2 MET A 25 29.113 8.167 -39.036 1.00 63.33 H new ATOM 0 HG3 MET A 25 28.574 6.510 -38.846 1.00 63.33 H new ATOM 0 HE1 MET A 25 26.321 10.231 -37.252 1.00 4.22 H new ATOM 0 HE2 MET A 25 27.803 9.639 -36.464 1.00 4.22 H new ATOM 0 HE3 MET A 25 27.869 10.260 -38.130 1.00 4.22 H new ATOM 397 N LYS A 26 30.956 5.500 -34.717 1.00 24.12 N ATOM 398 CA LYS A 26 32.222 4.947 -34.252 1.00 45.31 C ATOM 399 C LYS A 26 32.033 3.531 -33.716 1.00 52.32 C ATOM 400 O LYS A 26 32.873 2.658 -33.936 1.00 42.42 O ATOM 401 CB LYS A 26 32.823 5.839 -33.165 1.00 13.34 C ATOM 402 CG LYS A 26 33.673 6.974 -33.711 1.00 61.12 C ATOM 403 CD LYS A 26 32.877 7.866 -34.647 1.00 13.14 C ATOM 404 CE LYS A 26 33.706 9.047 -35.131 1.00 42.23 C ATOM 405 NZ LYS A 26 34.556 8.686 -36.299 1.00 4.53 N1+ ATOM 0 H LYS A 26 30.399 5.947 -33.989 1.00 24.12 H new ATOM 0 HA LYS A 26 32.906 4.907 -35.100 1.00 45.31 H new ATOM 0 HB2 LYS A 26 32.016 6.257 -32.563 1.00 13.34 H new ATOM 0 HB3 LYS A 26 33.433 5.227 -32.500 1.00 13.34 H new ATOM 0 HG2 LYS A 26 34.063 7.568 -32.884 1.00 61.12 H new ATOM 0 HG3 LYS A 26 34.532 6.564 -34.241 1.00 61.12 H new ATOM 0 HD2 LYS A 26 32.536 7.284 -35.503 1.00 13.14 H new ATOM 0 HD3 LYS A 26 31.987 8.231 -34.134 1.00 13.14 H new ATOM 0 HE2 LYS A 26 33.043 9.868 -35.404 1.00 42.23 H new ATOM 0 HE3 LYS A 26 34.338 9.404 -34.318 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 35.105 9.517 -36.599 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 35.206 7.919 -36.032 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 33.951 8.369 -37.084 1.00 4.53 H new ATOM 419 N GLN A 27 30.926 3.311 -33.015 1.00 23.51 N ATOM 420 CA GLN A 27 30.628 2.001 -32.450 1.00 54.41 C ATOM 421 C GLN A 27 29.348 2.045 -31.620 1.00 32.12 C ATOM 422 O GLN A 27 28.746 3.104 -31.443 1.00 31.42 O ATOM 423 CB GLN A 27 31.794 1.518 -31.585 1.00 35.15 C ATOM 424 CG GLN A 27 32.370 2.597 -30.684 1.00 31.13 C ATOM 425 CD GLN A 27 32.927 2.039 -29.389 1.00 41.01 C ATOM 426 OE1 GLN A 27 33.162 0.837 -29.268 1.00 14.54 O ATOM 427 NE2 GLN A 27 33.144 2.913 -28.412 1.00 44.23 N ATOM 0 H GLN A 27 30.221 4.023 -32.825 1.00 23.51 H new ATOM 0 HA GLN A 27 30.482 1.302 -33.274 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.458 0.684 -30.970 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.584 1.138 -32.233 1.00 35.15 H new ATOM 0 HG2 GLN A 27 33.160 3.126 -31.217 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.594 3.328 -30.456 1.00 31.13 H new ATOM 0 HE21 GLN A 27 32.935 3.901 -28.556 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.520 2.596 -27.518 1.00 44.23 H new ATOM 436 N VAL A 28 28.937 0.886 -31.114 1.00 3.05 N ATOM 437 CA VAL A 28 27.729 0.791 -30.303 1.00 24.14 C ATOM 438 C VAL A 28 28.030 1.073 -28.836 1.00 72.01 C ATOM 439 O VAL A 28 29.078 0.684 -28.319 1.00 14.41 O ATOM 440 CB VAL A 28 27.079 -0.599 -30.425 1.00 50.21 C ATOM 441 CG1 VAL A 28 25.717 -0.613 -29.748 1.00 4.54 C ATOM 442 CG2 VAL A 28 26.961 -1.005 -31.886 1.00 44.43 C ATOM 0 H VAL A 28 29.423 -0.000 -31.252 1.00 3.05 H new ATOM 0 HA VAL A 28 27.034 1.542 -30.679 1.00 24.14 H new ATOM 0 HB VAL A 28 27.717 -1.325 -29.920 1.00 50.21 H new ATOM 0 HG11 VAL A 28 25.273 -1.604 -29.845 1.00 4.54 H new ATOM 0 HG12 VAL A 28 25.833 -0.369 -28.692 1.00 4.54 H new ATOM 0 HG13 VAL A 28 25.068 0.123 -30.222 1.00 4.54 H new ATOM 0 HG21 VAL A 28 26.499 -1.990 -31.954 1.00 44.43 H new ATOM 0 HG22 VAL A 28 26.346 -0.279 -32.417 1.00 44.43 H new ATOM 0 HG23 VAL A 28 27.953 -1.038 -32.336 1.00 44.43 H new ATOM 452 N VAL A 29 27.103 1.751 -28.166 1.00 62.35 N ATOM 453 CA VAL A 29 27.267 2.084 -26.756 1.00 73.41 C ATOM 454 C VAL A 29 25.983 1.824 -25.977 1.00 41.43 C ATOM 455 O VAL A 29 24.897 2.259 -26.359 1.00 63.42 O ATOM 456 CB VAL A 29 27.678 3.557 -26.571 1.00 24.34 C ATOM 457 CG1 VAL A 29 27.677 3.930 -25.097 1.00 32.35 C ATOM 458 CG2 VAL A 29 29.042 3.812 -27.194 1.00 63.42 C ATOM 0 H VAL A 29 26.230 2.081 -28.578 1.00 62.35 H new ATOM 0 HA VAL A 29 28.059 1.443 -26.369 1.00 73.41 H new ATOM 0 HB VAL A 29 26.949 4.187 -27.081 1.00 24.34 H new ATOM 0 HG11 VAL A 29 27.970 4.974 -24.986 1.00 32.35 H new ATOM 0 HG12 VAL A 29 26.677 3.788 -24.686 1.00 32.35 H new ATOM 0 HG13 VAL A 29 28.383 3.296 -24.561 1.00 32.35 H new ATOM 0 HG21 VAL A 29 29.316 4.858 -27.054 1.00 63.42 H new ATOM 0 HG22 VAL A 29 29.785 3.175 -26.715 1.00 63.42 H new ATOM 0 HG23 VAL A 29 29.003 3.587 -28.260 1.00 63.42 H new ATOM 468 N PRO A 30 26.108 1.097 -24.856 1.00 73.00 N ATOM 469 CA PRO A 30 24.968 0.763 -23.999 1.00 3.14 C ATOM 470 C PRO A 30 24.419 1.981 -23.263 1.00 71.14 C ATOM 471 O PRO A 30 25.167 2.888 -22.903 1.00 11.03 O ATOM 472 CB PRO A 30 25.553 -0.243 -23.005 1.00 20.11 C ATOM 473 CG PRO A 30 27.009 0.073 -22.961 1.00 44.03 C ATOM 474 CD PRO A 30 27.372 0.545 -24.341 1.00 41.22 C ATOM 0 HA PRO A 30 24.127 0.375 -24.574 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.095 -0.140 -22.021 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.380 -1.269 -23.331 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.219 0.842 -22.218 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.591 -0.806 -22.684 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.158 1.299 -24.314 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.736 -0.273 -24.963 1.00 41.22 H new ATOM 482 N ALA A 31 23.108 1.993 -23.045 1.00 53.34 N ATOM 483 CA ALA A 31 22.459 3.099 -22.351 1.00 43.44 C ATOM 484 C ALA A 31 21.161 2.647 -21.690 1.00 41.51 C ATOM 485 O ALA A 31 20.197 2.293 -22.369 1.00 52.01 O ATOM 486 CB ALA A 31 22.191 4.245 -23.317 1.00 11.05 C ATOM 0 H ALA A 31 22.475 1.250 -23.339 1.00 53.34 H new ATOM 0 HA ALA A 31 23.132 3.449 -21.568 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.706 5.064 -22.785 1.00 11.05 H new ATOM 0 HB2 ALA A 31 23.134 4.594 -23.738 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.541 3.899 -24.120 1.00 11.05 H new ATOM 492 N LYS A 32 21.144 2.662 -20.362 1.00 42.21 N ATOM 493 CA LYS A 32 19.964 2.253 -19.608 1.00 42.03 C ATOM 494 C LYS A 32 18.928 3.372 -19.572 1.00 53.43 C ATOM 495 O LYS A 32 19.215 4.482 -19.125 1.00 15.15 O ATOM 496 CB LYS A 32 20.356 1.861 -18.181 1.00 10.13 C ATOM 497 CG LYS A 32 21.000 2.989 -17.395 1.00 15.14 C ATOM 498 CD LYS A 32 21.869 2.459 -16.268 1.00 43.25 C ATOM 499 CE LYS A 32 21.042 2.129 -15.034 1.00 41.14 C ATOM 500 NZ LYS A 32 20.412 3.345 -14.448 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.933 2.953 -19.785 1.00 42.21 H new ATOM 0 HA LYS A 32 19.525 1.390 -20.108 1.00 42.03 H new ATOM 0 HB2 LYS A 32 19.467 1.521 -17.650 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.046 1.018 -18.221 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.604 3.601 -18.064 1.00 15.14 H new ATOM 0 HG3 LYS A 32 20.225 3.636 -16.984 1.00 15.14 H new ATOM 0 HD2 LYS A 32 22.397 1.566 -16.603 1.00 43.25 H new ATOM 0 HD3 LYS A 32 22.627 3.200 -16.012 1.00 43.25 H new ATOM 0 HE2 LYS A 32 20.267 1.409 -15.298 1.00 41.14 H new ATOM 0 HE3 LYS A 32 21.678 1.653 -14.287 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 20.705 3.444 -13.455 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 20.714 4.184 -14.983 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 19.377 3.257 -14.496 1.00 23.12 H new ATOM 514 N ALA A 33 17.723 3.071 -20.044 1.00 74.42 N ATOM 515 CA ALA A 33 16.643 4.051 -20.063 1.00 62.44 C ATOM 516 C ALA A 33 15.685 3.833 -18.895 1.00 33.43 C ATOM 517 O ALA A 33 15.028 2.796 -18.804 1.00 52.11 O ATOM 518 CB ALA A 33 15.892 3.984 -21.384 1.00 44.12 C ATOM 0 H ALA A 33 17.470 2.157 -20.418 1.00 74.42 H new ATOM 0 HA ALA A 33 17.083 5.043 -19.959 1.00 62.44 H new ATOM 0 HB1 ALA A 33 15.089 4.721 -21.384 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.578 4.196 -22.204 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.470 2.987 -21.512 1.00 44.12 H new ATOM 524 N VAL A 34 15.610 4.818 -18.006 1.00 63.33 N ATOM 525 CA VAL A 34 14.732 4.734 -16.845 1.00 45.44 C ATOM 526 C VAL A 34 13.336 5.250 -17.174 1.00 54.42 C ATOM 527 O VAL A 34 13.179 6.198 -17.945 1.00 75.20 O ATOM 528 CB VAL A 34 15.297 5.534 -15.655 1.00 12.22 C ATOM 529 CG1 VAL A 34 16.528 4.845 -15.086 1.00 2.34 C ATOM 530 CG2 VAL A 34 15.619 6.959 -16.078 1.00 72.31 C ATOM 0 H VAL A 34 16.147 5.683 -18.067 1.00 63.33 H new ATOM 0 HA VAL A 34 14.671 3.681 -16.569 1.00 45.44 H new ATOM 0 HB VAL A 34 14.540 5.575 -14.872 1.00 12.22 H new ATOM 0 HG11 VAL A 34 16.914 5.424 -14.247 1.00 2.34 H new ATOM 0 HG12 VAL A 34 16.260 3.845 -14.745 1.00 2.34 H new ATOM 0 HG13 VAL A 34 17.294 4.772 -15.858 1.00 2.34 H new ATOM 0 HG21 VAL A 34 16.017 7.510 -15.226 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.360 6.943 -16.878 1.00 72.31 H new ATOM 0 HG23 VAL A 34 14.712 7.447 -16.434 1.00 72.31 H new ATOM 540 N CYS A 35 12.325 4.623 -16.584 1.00 52.54 N ATOM 541 CA CYS A 35 10.940 5.019 -16.814 1.00 31.55 C ATOM 542 C CYS A 35 10.741 6.500 -16.513 1.00 12.13 C ATOM 543 O CYS A 35 10.991 6.957 -15.398 1.00 51.25 O ATOM 544 CB CYS A 35 9.997 4.178 -15.952 1.00 11.41 C ATOM 545 SG CYS A 35 10.424 4.161 -14.195 1.00 13.12 S ATOM 0 H CYS A 35 12.438 3.838 -15.943 1.00 52.54 H new ATOM 0 HA CYS A 35 10.708 4.847 -17.865 1.00 31.55 H new ATOM 0 HB2 CYS A 35 8.982 4.559 -16.065 1.00 11.41 H new ATOM 0 HB3 CYS A 35 9.997 3.154 -16.325 1.00 11.41 H new ATOM 0 HG CYS A 35 10.873 5.330 -13.846 1.00 13.12 H new ATOM 551 N GLY A 36 10.290 7.249 -17.515 1.00 33.13 N ATOM 552 CA GLY A 36 10.067 8.671 -17.337 1.00 22.01 C ATOM 553 C GLY A 36 11.127 9.514 -18.018 1.00 2.31 C ATOM 554 O GLY A 36 11.011 10.738 -18.083 1.00 12.12 O ATOM 0 H GLY A 36 10.075 6.895 -18.447 1.00 33.13 H new ATOM 0 HA2 GLY A 36 9.087 8.934 -17.735 1.00 22.01 H new ATOM 0 HA3 GLY A 36 10.052 8.903 -16.272 1.00 22.01 H new ATOM 558 N SER A 37 12.167 8.858 -18.526 1.00 14.13 N ATOM 559 CA SER A 37 13.255 9.556 -19.200 1.00 31.10 C ATOM 560 C SER A 37 13.089 9.486 -20.715 1.00 73.20 C ATOM 561 O SER A 37 12.115 8.928 -21.221 1.00 73.03 O ATOM 562 CB SER A 37 14.602 8.955 -18.796 1.00 61.42 C ATOM 563 OG SER A 37 14.781 7.672 -19.368 1.00 54.42 O ATOM 0 H SER A 37 12.278 7.845 -18.483 1.00 14.13 H new ATOM 0 HA SER A 37 13.226 10.602 -18.896 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.408 9.615 -19.116 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.661 8.884 -17.710 1.00 61.42 H new ATOM 0 HG SER A 37 14.371 6.996 -18.789 1.00 54.42 H new ATOM 569 N THR A 38 14.049 10.057 -21.437 1.00 25.44 N ATOM 570 CA THR A 38 14.010 10.061 -22.894 1.00 13.34 C ATOM 571 C THR A 38 15.362 9.673 -23.481 1.00 44.22 C ATOM 572 O THR A 38 16.400 9.849 -22.844 1.00 73.14 O ATOM 573 CB THR A 38 13.603 11.443 -23.440 1.00 44.44 C ATOM 574 OG1 THR A 38 13.909 12.460 -22.479 1.00 11.42 O ATOM 575 CG2 THR A 38 12.120 11.480 -23.771 1.00 11.40 C ATOM 0 H THR A 38 14.863 10.523 -21.036 1.00 25.44 H new ATOM 0 HA THR A 38 13.263 9.326 -23.193 1.00 13.34 H new ATOM 0 HB THR A 38 14.167 11.627 -24.355 1.00 44.44 H new ATOM 0 HG1 THR A 38 13.649 13.335 -22.835 1.00 11.42 H new ATOM 0 HG21 THR A 38 11.857 12.466 -24.155 1.00 11.40 H new ATOM 0 HG22 THR A 38 11.897 10.726 -24.526 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.541 11.275 -22.871 1.00 11.40 H new ATOM 583 N VAL A 39 15.343 9.144 -24.700 1.00 70.42 N ATOM 584 CA VAL A 39 16.568 8.732 -25.375 1.00 33.14 C ATOM 585 C VAL A 39 17.540 9.899 -25.510 1.00 42.12 C ATOM 586 O VAL A 39 18.734 9.761 -25.242 1.00 10.21 O ATOM 587 CB VAL A 39 16.273 8.159 -26.773 1.00 65.42 C ATOM 588 CG1 VAL A 39 15.587 6.805 -26.662 1.00 4.01 C ATOM 589 CG2 VAL A 39 15.425 9.132 -27.580 1.00 35.23 C ATOM 0 H VAL A 39 14.492 8.991 -25.241 1.00 70.42 H new ATOM 0 HA VAL A 39 17.022 7.954 -24.761 1.00 33.14 H new ATOM 0 HB VAL A 39 17.219 8.018 -27.296 1.00 65.42 H new ATOM 0 HG11 VAL A 39 15.386 6.416 -27.660 1.00 4.01 H new ATOM 0 HG12 VAL A 39 16.235 6.112 -26.126 1.00 4.01 H new ATOM 0 HG13 VAL A 39 14.648 6.916 -26.121 1.00 4.01 H new ATOM 0 HG21 VAL A 39 15.226 8.711 -28.565 1.00 35.23 H new ATOM 0 HG22 VAL A 39 14.481 9.307 -27.063 1.00 35.23 H new ATOM 0 HG23 VAL A 39 15.959 10.076 -27.690 1.00 35.23 H new ATOM 599 N LEU A 40 17.021 11.048 -25.927 1.00 4.40 N ATOM 600 CA LEU A 40 17.843 12.241 -26.098 1.00 4.13 C ATOM 601 C LEU A 40 18.413 12.706 -24.762 1.00 3.52 C ATOM 602 O LEU A 40 19.553 13.164 -24.688 1.00 65.40 O ATOM 603 CB LEU A 40 17.021 13.365 -26.732 1.00 11.34 C ATOM 604 CG LEU A 40 16.872 13.312 -28.253 1.00 34.30 C ATOM 605 CD1 LEU A 40 15.844 12.265 -28.653 1.00 31.55 C ATOM 606 CD2 LEU A 40 16.486 14.679 -28.799 1.00 22.30 C ATOM 0 H LEU A 40 16.035 11.179 -26.153 1.00 4.40 H new ATOM 0 HA LEU A 40 18.672 11.988 -26.758 1.00 4.13 H new ATOM 0 HB2 LEU A 40 16.025 13.354 -26.289 1.00 11.34 H new ATOM 0 HB3 LEU A 40 17.478 14.318 -26.465 1.00 11.34 H new ATOM 0 HG LEU A 40 17.833 13.030 -28.683 1.00 34.30 H new ATOM 0 HD11 LEU A 40 15.752 12.242 -29.739 1.00 31.55 H new ATOM 0 HD12 LEU A 40 16.163 11.286 -28.295 1.00 31.55 H new ATOM 0 HD13 LEU A 40 14.879 12.515 -28.212 1.00 31.55 H new ATOM 0 HD21 LEU A 40 16.384 14.622 -29.883 1.00 22.30 H new ATOM 0 HD22 LEU A 40 15.538 14.991 -28.361 1.00 22.30 H new ATOM 0 HD23 LEU A 40 17.259 15.404 -28.544 1.00 22.30 H new ATOM 618 N ASP A 41 17.614 12.582 -23.708 1.00 72.45 N ATOM 619 CA ASP A 41 18.040 12.985 -22.373 1.00 42.14 C ATOM 620 C ASP A 41 19.062 12.002 -21.808 1.00 25.23 C ATOM 621 O ASP A 41 19.896 12.366 -20.980 1.00 10.41 O ATOM 622 CB ASP A 41 16.835 13.081 -21.437 1.00 13.44 C ATOM 623 CG ASP A 41 16.056 14.368 -21.626 1.00 24.42 C ATOM 624 OD1 ASP A 41 15.378 14.799 -20.668 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.125 14.946 -22.730 1.00 64.23 O1- ATOM 0 H ASP A 41 16.667 12.205 -23.752 1.00 72.45 H new ATOM 0 HA ASP A 41 18.510 13.966 -22.449 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.175 12.231 -21.611 1.00 13.44 H new ATOM 0 HB3 ASP A 41 17.175 13.014 -20.404 1.00 13.44 H new ATOM 630 N VAL A 42 18.988 10.755 -22.262 1.00 2.11 N ATOM 631 CA VAL A 42 19.906 9.719 -21.802 1.00 13.25 C ATOM 632 C VAL A 42 21.276 9.872 -22.453 1.00 11.24 C ATOM 633 O VAL A 42 22.306 9.752 -21.790 1.00 54.34 O ATOM 634 CB VAL A 42 19.360 8.311 -22.104 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.401 7.252 -21.773 1.00 3.53 C ATOM 636 CG2 VAL A 42 18.071 8.064 -21.334 1.00 61.21 C ATOM 0 H VAL A 42 18.303 10.438 -22.947 1.00 2.11 H new ATOM 0 HA VAL A 42 20.004 9.838 -20.723 1.00 13.25 H new ATOM 0 HB VAL A 42 19.138 8.246 -23.169 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.997 6.264 -21.993 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.295 7.421 -22.373 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.658 7.312 -20.715 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.699 7.065 -21.559 1.00 61.21 H new ATOM 0 HG22 VAL A 42 18.264 8.147 -20.265 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.325 8.803 -21.626 1.00 61.21 H new ATOM 646 N ALA A 43 21.281 10.135 -23.755 1.00 21.42 N ATOM 647 CA ALA A 43 22.524 10.306 -24.496 1.00 20.42 C ATOM 648 C ALA A 43 23.437 11.317 -23.811 1.00 42.52 C ATOM 649 O ALA A 43 24.661 11.228 -23.906 1.00 14.32 O ATOM 650 CB ALA A 43 22.233 10.738 -25.926 1.00 62.22 C ATOM 0 H ALA A 43 20.437 10.234 -24.319 1.00 21.42 H new ATOM 0 HA ALA A 43 23.040 9.346 -24.517 1.00 20.42 H new ATOM 0 HB1 ALA A 43 23.171 10.862 -26.467 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.627 9.978 -26.420 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.692 11.684 -25.917 1.00 62.22 H new ATOM 656 N HIS A 44 22.832 12.280 -23.121 1.00 12.51 N ATOM 657 CA HIS A 44 23.591 13.310 -22.420 1.00 50.24 C ATOM 658 C HIS A 44 24.250 12.741 -21.168 1.00 54.31 C ATOM 659 O HIS A 44 25.370 13.115 -20.817 1.00 12.45 O ATOM 660 CB HIS A 44 22.680 14.478 -22.045 1.00 75.20 C ATOM 661 CG HIS A 44 23.423 15.743 -21.740 1.00 61.53 C ATOM 662 ND1 HIS A 44 24.005 16.526 -22.712 1.00 44.12 N ATOM 663 CD2 HIS A 44 23.673 16.359 -20.561 1.00 13.23 C ATOM 664 CE1 HIS A 44 24.584 17.570 -22.145 1.00 32.52 C ATOM 665 NE2 HIS A 44 24.397 17.492 -20.840 1.00 53.52 N ATOM 0 H HIS A 44 21.820 12.368 -23.033 1.00 12.51 H new ATOM 0 HA HIS A 44 24.373 13.669 -23.089 1.00 50.24 H new ATOM 0 HB2 HIS A 44 21.985 14.663 -22.864 1.00 75.20 H new ATOM 0 HB3 HIS A 44 22.083 14.198 -21.177 1.00 75.20 H new ATOM 0 HD2 HIS A 44 23.361 16.022 -19.583 1.00 13.23 H new ATOM 0 HE1 HIS A 44 25.119 18.354 -22.661 1.00 32.52 H new ATOM 0 HE2 HIS A 44 24.735 18.164 -20.151 1.00 53.52 H new ATOM 673 N LYS A 45 23.549 11.833 -20.496 1.00 13.22 N ATOM 674 CA LYS A 45 24.065 11.211 -19.283 1.00 44.10 C ATOM 675 C LYS A 45 25.089 10.132 -19.618 1.00 71.53 C ATOM 676 O LYS A 45 26.116 10.008 -18.950 1.00 73.03 O ATOM 677 CB LYS A 45 22.919 10.606 -18.468 1.00 74.53 C ATOM 678 CG LYS A 45 21.716 11.524 -18.336 1.00 40.45 C ATOM 679 CD LYS A 45 22.050 12.767 -17.529 1.00 63.15 C ATOM 680 CE LYS A 45 22.006 12.490 -16.034 1.00 32.12 C ATOM 681 NZ LYS A 45 23.299 11.950 -15.532 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.621 11.512 -20.772 1.00 13.22 H new ATOM 0 HA LYS A 45 24.557 11.982 -18.690 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.604 9.673 -18.936 1.00 74.53 H new ATOM 0 HB3 LYS A 45 23.285 10.355 -17.472 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.369 11.815 -19.327 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.898 10.987 -17.857 1.00 40.45 H new ATOM 0 HD2 LYS A 45 23.042 13.125 -17.805 1.00 63.15 H new ATOM 0 HD3 LYS A 45 21.345 13.561 -17.774 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.765 13.410 -15.501 1.00 32.12 H new ATOM 0 HE3 LYS A 45 21.208 11.779 -15.820 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 23.240 10.914 -15.465 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 24.063 12.212 -16.188 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 23.499 12.346 -14.592 1.00 61.40 H new ATOM 695 N ASN A 46 24.804 9.353 -20.656 1.00 44.51 N ATOM 696 CA ASN A 46 25.701 8.285 -21.081 1.00 43.23 C ATOM 697 C ASN A 46 26.953 8.856 -21.742 1.00 15.11 C ATOM 698 O ASN A 46 28.006 8.221 -21.752 1.00 20.00 O ATOM 699 CB ASN A 46 24.984 7.342 -22.049 1.00 55.02 C ATOM 700 CG ASN A 46 25.505 5.920 -21.964 1.00 74.42 C ATOM 701 OD1 ASN A 46 24.873 5.050 -21.367 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.666 5.679 -22.563 1.00 50.43 N ATOM 0 H ASN A 46 23.958 9.441 -21.219 1.00 44.51 H new ATOM 0 HA ASN A 46 26.003 7.725 -20.196 1.00 43.23 H new ATOM 0 HB2 ASN A 46 23.916 7.348 -21.833 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.106 7.710 -23.068 1.00 55.02 H new ATOM 0 HD21 ASN A 46 27.067 4.742 -22.539 1.00 50.43 H new ATOM 0 HD22 ASN A 46 27.156 6.431 -23.047 1.00 50.43 H new ATOM 709 N GLY A 47 26.828 10.059 -22.294 1.00 71.54 N ATOM 710 CA GLY A 47 27.955 10.696 -22.949 1.00 65.12 C ATOM 711 C GLY A 47 27.997 10.410 -24.437 1.00 62.25 C ATOM 712 O GLY A 47 28.791 11.003 -25.168 1.00 22.30 O ATOM 0 H GLY A 47 25.966 10.604 -22.299 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.902 11.773 -22.790 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.881 10.351 -22.489 1.00 65.12 H new ATOM 716 N VAL A 48 27.141 9.499 -24.888 1.00 31.22 N ATOM 717 CA VAL A 48 27.083 9.135 -26.299 1.00 41.02 C ATOM 718 C VAL A 48 26.953 10.373 -27.179 1.00 3.44 C ATOM 719 O VAL A 48 26.202 11.296 -26.865 1.00 22.32 O ATOM 720 CB VAL A 48 25.904 8.188 -26.587 1.00 34.34 C ATOM 721 CG1 VAL A 48 25.902 7.766 -28.048 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.963 6.972 -25.673 1.00 32.44 C ATOM 0 H VAL A 48 26.477 8.999 -24.296 1.00 31.22 H new ATOM 0 HA VAL A 48 28.016 8.622 -26.533 1.00 41.02 H new ATOM 0 HB VAL A 48 24.975 8.721 -26.387 1.00 34.34 H new ATOM 0 HG11 VAL A 48 25.061 7.097 -28.232 1.00 23.24 H new ATOM 0 HG12 VAL A 48 25.809 8.648 -28.681 1.00 23.24 H new ATOM 0 HG13 VAL A 48 26.834 7.250 -28.279 1.00 23.24 H new ATOM 0 HG21 VAL A 48 25.122 6.313 -25.890 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.897 6.436 -25.841 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.912 7.295 -24.633 1.00 32.44 H new ATOM 732 N ASP A 49 27.690 10.385 -28.285 1.00 40.14 N ATOM 733 CA ASP A 49 27.656 11.509 -29.214 1.00 14.22 C ATOM 734 C ASP A 49 26.340 11.537 -29.985 1.00 34.02 C ATOM 735 O ASP A 49 26.269 11.090 -31.130 1.00 75.21 O ATOM 736 CB ASP A 49 28.832 11.426 -30.190 1.00 52.55 C ATOM 737 CG ASP A 49 29.024 12.710 -30.975 1.00 23.12 C ATOM 738 OD1 ASP A 49 28.286 13.682 -30.711 1.00 1.55 O ATOM 739 OD2 ASP A 49 29.913 12.741 -31.851 1.00 61.21 O1- ATOM 0 H ASP A 49 28.318 9.629 -28.560 1.00 40.14 H new ATOM 0 HA ASP A 49 27.737 12.430 -28.636 1.00 14.22 H new ATOM 0 HB2 ASP A 49 29.744 11.201 -29.637 1.00 52.55 H new ATOM 0 HB3 ASP A 49 28.668 10.601 -30.883 1.00 52.55 H new ATOM 744 N LEU A 50 25.300 12.067 -29.349 1.00 12.10 N ATOM 745 CA LEU A 50 23.985 12.153 -29.974 1.00 14.20 C ATOM 746 C LEU A 50 23.652 13.595 -30.344 1.00 31.24 C ATOM 747 O LEU A 50 23.374 14.419 -29.474 1.00 24.23 O ATOM 748 CB LEU A 50 22.915 11.595 -29.035 1.00 11.15 C ATOM 749 CG LEU A 50 21.475 11.655 -29.547 1.00 12.15 C ATOM 750 CD1 LEU A 50 20.670 10.480 -29.015 1.00 70.43 C ATOM 751 CD2 LEU A 50 20.823 12.972 -29.153 1.00 5.33 C ATOM 0 H LEU A 50 25.342 12.443 -28.402 1.00 12.10 H new ATOM 0 HA LEU A 50 24.004 11.558 -30.887 1.00 14.20 H new ATOM 0 HB2 LEU A 50 23.159 10.555 -28.816 1.00 11.15 H new ATOM 0 HB3 LEU A 50 22.967 12.140 -28.092 1.00 11.15 H new ATOM 0 HG LEU A 50 21.494 11.593 -30.635 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.648 10.540 -29.390 1.00 70.43 H new ATOM 0 HD12 LEU A 50 21.125 9.547 -29.348 1.00 70.43 H new ATOM 0 HD13 LEU A 50 20.659 10.510 -27.925 1.00 70.43 H new ATOM 0 HD21 LEU A 50 19.799 12.997 -29.526 1.00 5.33 H new ATOM 0 HD22 LEU A 50 20.816 13.064 -28.067 1.00 5.33 H new ATOM 0 HD23 LEU A 50 21.386 13.800 -29.584 1.00 5.33 H new ATOM 905 N CYS A 63 14.650 15.942 -35.341 1.00 12.42 N ATOM 906 CA CYS A 63 15.905 15.200 -35.313 1.00 3.52 C ATOM 907 C CYS A 63 15.716 13.792 -35.869 1.00 2.45 C ATOM 908 O CYS A 63 15.559 12.831 -35.117 1.00 4.13 O ATOM 909 CB CYS A 63 16.446 15.127 -33.883 1.00 25.53 C ATOM 910 SG CYS A 63 15.185 14.731 -32.630 1.00 22.10 S ATOM 0 HA CYS A 63 16.624 15.726 -35.941 1.00 3.52 H new ATOM 0 HB2 CYS A 63 17.233 14.374 -33.842 1.00 25.53 H new ATOM 0 HB3 CYS A 63 16.906 16.083 -33.631 1.00 25.53 H new ATOM 0 HG CYS A 63 14.481 15.793 -32.372 1.00 22.10 H new ATOM 915 N HIS A 64 15.734 13.678 -37.194 1.00 63.44 N ATOM 916 CA HIS A 64 15.566 12.387 -37.852 1.00 3.42 C ATOM 917 C HIS A 64 16.674 11.422 -37.445 1.00 30.22 C ATOM 918 O HIS A 64 17.851 11.661 -37.714 1.00 61.33 O ATOM 919 CB HIS A 64 15.560 12.563 -39.372 1.00 52.43 C ATOM 920 CG HIS A 64 16.698 13.391 -39.883 1.00 13.30 C ATOM 921 ND1 HIS A 64 16.619 14.757 -40.052 1.00 62.35 N ATOM 922 CD2 HIS A 64 17.949 13.039 -40.263 1.00 65.44 C ATOM 923 CE1 HIS A 64 17.771 15.209 -40.515 1.00 13.15 C ATOM 924 NE2 HIS A 64 18.595 14.186 -40.651 1.00 23.12 N ATOM 0 H HIS A 64 15.863 14.463 -37.832 1.00 63.44 H new ATOM 0 HA HIS A 64 14.610 11.968 -37.538 1.00 3.42 H new ATOM 0 HB2 HIS A 64 15.596 11.581 -39.843 1.00 52.43 H new ATOM 0 HB3 HIS A 64 14.620 13.027 -39.672 1.00 52.43 H new ATOM 0 HD1 HIS A 64 15.799 15.329 -39.851 1.00 62.35 H new ATOM 0 HD2 HIS A 64 18.362 12.041 -40.261 1.00 65.44 H new ATOM 0 HE1 HIS A 64 18.000 16.239 -40.743 1.00 13.15 H new ATOM 932 N VAL A 65 16.290 10.327 -36.795 1.00 61.11 N ATOM 933 CA VAL A 65 17.250 9.324 -36.350 1.00 32.34 C ATOM 934 C VAL A 65 16.844 7.931 -36.816 1.00 22.50 C ATOM 935 O VAL A 65 15.669 7.669 -37.070 1.00 34.33 O ATOM 936 CB VAL A 65 17.389 9.322 -34.817 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.601 8.506 -34.392 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.482 10.745 -34.287 1.00 23.01 C ATOM 0 H VAL A 65 15.320 10.112 -36.565 1.00 61.11 H new ATOM 0 HA VAL A 65 18.211 9.586 -36.793 1.00 32.34 H new ATOM 0 HB VAL A 65 16.500 8.858 -34.390 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.683 8.516 -33.305 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.487 7.479 -34.738 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.502 8.938 -34.828 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.580 10.723 -33.202 1.00 23.01 H new ATOM 0 HG22 VAL A 65 18.352 11.238 -34.720 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.581 11.294 -34.559 1.00 23.01 H new ATOM 948 N ILE A 66 17.825 7.041 -36.924 1.00 21.12 N ATOM 949 CA ILE A 66 17.569 5.673 -37.358 1.00 32.41 C ATOM 950 C ILE A 66 17.293 4.762 -36.167 1.00 54.10 C ATOM 951 O ILE A 66 18.012 4.793 -35.166 1.00 14.31 O ATOM 952 CB ILE A 66 18.756 5.105 -38.159 1.00 13.50 C ATOM 953 CG1 ILE A 66 18.925 5.871 -39.473 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.553 3.621 -38.428 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.287 5.692 -40.106 1.00 62.21 C ATOM 0 H ILE A 66 18.803 7.242 -36.717 1.00 21.12 H new ATOM 0 HA ILE A 66 16.689 5.705 -38.001 1.00 32.41 H new ATOM 0 HB ILE A 66 19.664 5.226 -37.569 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.160 5.542 -40.177 1.00 41.34 H new ATOM 0 HG13 ILE A 66 18.755 6.932 -39.290 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.400 3.235 -38.995 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.476 3.087 -37.481 1.00 64.43 H new ATOM 0 HG23 ILE A 66 17.637 3.477 -39.001 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.335 6.263 -41.033 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.056 6.048 -39.421 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.452 4.636 -40.321 1.00 62.21 H new ATOM 967 N LEU A 67 16.249 3.949 -36.281 1.00 62.31 N ATOM 968 CA LEU A 67 15.877 3.026 -35.214 1.00 64.04 C ATOM 969 C LEU A 67 15.784 1.596 -35.738 1.00 12.11 C ATOM 970 O LEU A 67 15.690 1.373 -36.944 1.00 61.41 O ATOM 971 CB LEU A 67 14.542 3.442 -34.595 1.00 53.02 C ATOM 972 CG LEU A 67 14.185 2.781 -33.262 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.242 3.091 -32.213 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.813 3.239 -32.790 1.00 10.33 C ATOM 0 H LEU A 67 15.645 3.910 -37.102 1.00 62.31 H new ATOM 0 HA LEU A 67 16.652 3.063 -34.449 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.552 4.522 -34.451 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.749 3.223 -35.310 1.00 53.02 H new ATOM 0 HG LEU A 67 14.155 1.702 -33.410 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.972 2.613 -31.272 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.208 2.713 -32.547 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.305 4.169 -32.067 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.576 2.759 -31.841 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.816 4.321 -32.659 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.063 2.966 -33.532 1.00 10.33 H new ATOM 986 N GLU A 68 15.810 0.633 -34.823 1.00 71.02 N ATOM 987 CA GLU A 68 15.727 -0.775 -35.195 1.00 2.24 C ATOM 988 C GLU A 68 14.702 -0.985 -36.305 1.00 45.14 C ATOM 989 O GLU A 68 13.632 -0.377 -36.299 1.00 70.41 O ATOM 990 CB GLU A 68 15.357 -1.625 -33.977 1.00 2.12 C ATOM 991 CG GLU A 68 16.471 -2.552 -33.521 1.00 61.11 C ATOM 992 CD GLU A 68 17.040 -3.383 -34.656 1.00 60.41 C ATOM 993 OE1 GLU A 68 18.021 -2.936 -35.284 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.503 -4.481 -34.913 1.00 54.52 O1- ATOM 0 H GLU A 68 15.888 0.801 -33.820 1.00 71.02 H new ATOM 0 HA GLU A 68 16.705 -1.086 -35.564 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.085 -0.965 -33.153 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.475 -2.220 -34.214 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.270 -1.961 -33.073 1.00 61.11 H new ATOM 0 HG3 GLU A 68 16.091 -3.216 -32.744 1.00 61.11 H new ATOM 1001 N GLU A 69 15.038 -1.850 -37.257 1.00 22.44 N ATOM 1002 CA GLU A 69 14.149 -2.139 -38.375 1.00 73.04 C ATOM 1003 C GLU A 69 12.821 -2.706 -37.881 1.00 43.43 C ATOM 1004 O GLU A 69 11.750 -2.149 -38.125 1.00 23.14 O ATOM 1005 CB GLU A 69 14.809 -3.126 -39.340 1.00 71.35 C ATOM 1006 CG GLU A 69 15.100 -2.535 -40.710 1.00 42.54 C ATOM 1007 CD GLU A 69 16.050 -3.390 -41.525 1.00 13.13 C ATOM 1008 OE1 GLU A 69 15.566 -4.265 -42.273 1.00 54.15 O ATOM 1009 OE2 GLU A 69 17.276 -3.186 -41.414 1.00 42.34 O1- ATOM 0 H GLU A 69 15.920 -2.363 -37.276 1.00 22.44 H new ATOM 0 HA GLU A 69 13.953 -1.204 -38.901 1.00 73.04 H new ATOM 0 HB2 GLU A 69 15.741 -3.482 -38.901 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.161 -3.994 -39.458 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.164 -2.416 -41.256 1.00 42.54 H new ATOM 0 HG3 GLU A 69 15.527 -1.539 -40.589 1.00 42.54 H new ATOM 1016 N PRO A 70 12.890 -3.842 -37.170 1.00 54.22 N ATOM 1017 CA PRO A 70 11.704 -4.510 -36.627 1.00 20.10 C ATOM 1018 C PRO A 70 11.065 -3.721 -35.489 1.00 1.22 C ATOM 1019 O PRO A 70 9.855 -3.496 -35.480 1.00 33.25 O ATOM 1020 CB PRO A 70 12.254 -5.843 -36.112 1.00 54.11 C ATOM 1021 CG PRO A 70 13.690 -5.575 -35.826 1.00 53.54 C ATOM 1022 CD PRO A 70 14.134 -4.560 -36.843 1.00 23.21 C ATOM 0 HA PRO A 70 10.918 -4.618 -37.374 1.00 20.10 H new ATOM 0 HB2 PRO A 70 11.726 -6.169 -35.216 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.139 -6.632 -36.855 1.00 54.11 H new ATOM 0 HG2 PRO A 70 13.822 -5.195 -34.813 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.280 -6.488 -35.903 1.00 53.54 H new ATOM 0 HD2 PRO A 70 14.891 -3.889 -36.438 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.567 -5.035 -37.723 1.00 23.21 H new ATOM 1030 N LEU A 71 11.886 -3.305 -34.531 1.00 73.21 N ATOM 1031 CA LEU A 71 11.401 -2.540 -33.387 1.00 71.13 C ATOM 1032 C LEU A 71 10.574 -1.343 -33.843 1.00 14.24 C ATOM 1033 O LEU A 71 9.469 -1.113 -33.350 1.00 22.31 O ATOM 1034 CB LEU A 71 12.575 -2.066 -32.529 1.00 11.33 C ATOM 1035 CG LEU A 71 12.305 -1.942 -31.029 1.00 51.51 C ATOM 1036 CD1 LEU A 71 11.243 -0.887 -30.764 1.00 70.15 C ATOM 1037 CD2 LEU A 71 11.881 -3.285 -30.451 1.00 52.41 C ATOM 0 H LEU A 71 12.890 -3.484 -34.523 1.00 73.21 H new ATOM 0 HA LEU A 71 10.764 -3.192 -32.790 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.406 -2.757 -32.672 1.00 11.33 H new ATOM 0 HB3 LEU A 71 12.901 -1.095 -32.900 1.00 11.33 H new ATOM 0 HG LEU A 71 13.227 -1.632 -30.537 1.00 51.51 H new ATOM 0 HD11 LEU A 71 11.064 -0.813 -29.691 1.00 70.15 H new ATOM 0 HD12 LEU A 71 11.585 0.076 -31.143 1.00 70.15 H new ATOM 0 HD13 LEU A 71 10.318 -1.167 -31.268 1.00 70.15 H new ATOM 0 HD21 LEU A 71 11.693 -3.178 -29.383 1.00 52.41 H new ATOM 0 HD22 LEU A 71 10.972 -3.624 -30.947 1.00 52.41 H new ATOM 0 HD23 LEU A 71 12.674 -4.016 -30.609 1.00 52.41 H new ATOM 1049 N TYR A 72 11.115 -0.583 -34.790 1.00 23.13 N ATOM 1050 CA TYR A 72 10.428 0.591 -35.313 1.00 72.33 C ATOM 1051 C TYR A 72 9.175 0.190 -36.086 1.00 64.33 C ATOM 1052 O TYR A 72 8.088 0.712 -35.841 1.00 54.01 O ATOM 1053 CB TYR A 72 11.364 1.394 -36.218 1.00 62.53 C ATOM 1054 CG TYR A 72 10.783 2.715 -36.670 1.00 74.02 C ATOM 1055 CD1 TYR A 72 9.855 2.771 -37.703 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.161 3.907 -36.065 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.322 3.975 -38.121 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.632 5.115 -36.475 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.713 5.145 -37.502 1.00 14.41 C ATOM 1060 OH TYR A 72 9.185 6.347 -37.914 1.00 23.11 O ATOM 0 H TYR A 72 12.027 -0.760 -35.210 1.00 23.13 H new ATOM 0 HA TYR A 72 10.129 1.212 -34.469 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.298 1.580 -35.687 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.610 0.795 -37.095 1.00 62.53 H new ATOM 0 HD1 TYR A 72 9.545 1.857 -38.188 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.881 3.889 -35.260 1.00 33.42 H new ATOM 0 HE1 TYR A 72 8.604 4.001 -38.927 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.937 6.032 -35.993 1.00 12.54 H new ATOM 0 HH TYR A 72 9.618 6.626 -38.748 1.00 23.11 H new ATOM 1070 N ARG A 73 9.337 -0.741 -37.020 1.00 65.44 N ATOM 1071 CA ARG A 73 8.221 -1.213 -37.830 1.00 14.13 C ATOM 1072 C ARG A 73 7.048 -1.630 -36.949 1.00 11.43 C ATOM 1073 O ARG A 73 5.916 -1.191 -37.153 1.00 2.21 O ATOM 1074 CB ARG A 73 8.659 -2.388 -38.705 1.00 24.52 C ATOM 1075 CG ARG A 73 7.768 -2.612 -39.916 1.00 20.20 C ATOM 1076 CD ARG A 73 8.540 -3.233 -41.069 1.00 62.31 C ATOM 1077 NE ARG A 73 8.741 -4.668 -40.885 1.00 14.20 N ATOM 1078 CZ ARG A 73 9.088 -5.493 -41.865 1.00 65.04 C ATOM 1079 NH1 ARG A 73 9.273 -5.029 -43.094 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 9.253 -6.787 -41.619 1.00 13.35 N ATOM 0 H ARG A 73 10.231 -1.183 -37.235 1.00 65.44 H new ATOM 0 HA ARG A 73 7.898 -0.393 -38.471 1.00 14.13 H new ATOM 0 HB2 ARG A 73 9.681 -2.217 -39.043 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.671 -3.295 -38.101 1.00 24.52 H new ATOM 0 HG2 ARG A 73 6.937 -3.261 -39.642 1.00 20.20 H new ATOM 0 HG3 ARG A 73 7.339 -1.662 -40.234 1.00 20.20 H new ATOM 0 HD2 ARG A 73 8.002 -3.059 -42.001 1.00 62.31 H new ATOM 0 HD3 ARG A 73 9.508 -2.741 -41.164 1.00 62.31 H new ATOM 0 HE ARG A 73 8.607 -5.058 -39.952 1.00 14.20 H new ATOM 0 HH11 ARG A 73 9.149 -4.035 -43.288 1.00 12.32 H new ATOM 0 HH12 ARG A 73 9.540 -5.666 -43.845 1.00 12.32 H new ATOM 0 HH21 ARG A 73 9.113 -7.149 -40.676 1.00 13.35 H new ATOM 0 HH22 ARG A 73 9.520 -7.420 -42.373 1.00 13.35 H new ATOM 1094 N LYS A 74 7.325 -2.482 -35.967 1.00 33.12 N ATOM 1095 CA LYS A 74 6.294 -2.959 -35.053 1.00 31.02 C ATOM 1096 C LYS A 74 5.684 -1.801 -34.270 1.00 63.21 C ATOM 1097 O LYS A 74 4.462 -1.677 -34.179 1.00 75.00 O ATOM 1098 CB LYS A 74 6.880 -3.991 -34.086 1.00 65.31 C ATOM 1099 CG LYS A 74 7.065 -5.367 -34.703 1.00 40.52 C ATOM 1100 CD LYS A 74 7.111 -6.453 -33.643 1.00 34.44 C ATOM 1101 CE LYS A 74 7.596 -7.774 -34.218 1.00 41.15 C ATOM 1102 NZ LYS A 74 6.784 -8.200 -35.391 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.256 -2.856 -35.784 1.00 33.12 H new ATOM 0 HA LYS A 74 5.508 -3.429 -35.644 1.00 31.02 H new ATOM 0 HB2 LYS A 74 7.844 -3.632 -33.725 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.226 -4.076 -33.218 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.248 -5.568 -35.396 1.00 40.52 H new ATOM 0 HG3 LYS A 74 7.987 -5.385 -35.284 1.00 40.52 H new ATOM 0 HD2 LYS A 74 7.771 -6.144 -32.833 1.00 34.44 H new ATOM 0 HD3 LYS A 74 6.118 -6.585 -33.213 1.00 34.44 H new ATOM 0 HE2 LYS A 74 8.641 -7.679 -34.515 1.00 41.15 H new ATOM 0 HE3 LYS A 74 7.552 -8.543 -33.447 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 7.056 -9.164 -35.670 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 5.775 -8.184 -35.139 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 6.953 -7.549 -36.185 1.00 30.01 H new ATOM 1116 N LEU A 75 6.541 -0.958 -33.705 1.00 52.50 N ATOM 1117 CA LEU A 75 6.086 0.191 -32.930 1.00 65.55 C ATOM 1118 C LEU A 75 5.297 1.160 -33.805 1.00 75.21 C ATOM 1119 O LEU A 75 4.546 1.995 -33.303 1.00 64.44 O ATOM 1120 CB LEU A 75 7.280 0.912 -32.301 1.00 21.23 C ATOM 1121 CG LEU A 75 7.613 0.523 -30.860 1.00 41.12 C ATOM 1122 CD1 LEU A 75 6.568 1.073 -29.903 1.00 62.14 C ATOM 1123 CD2 LEU A 75 7.719 -0.989 -30.727 1.00 51.32 C ATOM 0 H LEU A 75 7.555 -1.048 -33.769 1.00 52.50 H new ATOM 0 HA LEU A 75 5.430 -0.172 -32.139 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.158 0.726 -32.919 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.089 1.985 -32.332 1.00 21.23 H new ATOM 0 HG LEU A 75 8.578 0.959 -30.600 1.00 41.12 H new ATOM 0 HD11 LEU A 75 6.822 0.786 -28.883 1.00 62.14 H new ATOM 0 HD12 LEU A 75 6.542 2.160 -29.978 1.00 62.14 H new ATOM 0 HD13 LEU A 75 5.589 0.668 -30.161 1.00 62.14 H new ATOM 0 HD21 LEU A 75 7.956 -1.248 -29.695 1.00 51.32 H new ATOM 0 HD22 LEU A 75 6.770 -1.446 -31.007 1.00 51.32 H new ATOM 0 HD23 LEU A 75 8.507 -1.358 -31.384 1.00 51.32 H new ATOM 1135 N GLY A 76 5.470 1.040 -35.118 1.00 21.42 N ATOM 1136 CA GLY A 76 4.766 1.910 -36.043 1.00 10.52 C ATOM 1137 C GLY A 76 5.578 2.213 -37.287 1.00 14.51 C ATOM 1138 O GLY A 76 6.745 2.595 -37.196 1.00 71.33 O ATOM 0 H GLY A 76 6.085 0.356 -35.558 1.00 21.42 H new ATOM 0 HA2 GLY A 76 3.825 1.442 -36.332 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.516 2.844 -35.540 1.00 10.52 H new ATOM 1142 N GLU A 77 4.960 2.041 -38.451 1.00 31.22 N ATOM 1143 CA GLU A 77 5.635 2.296 -39.718 1.00 3.31 C ATOM 1144 C GLU A 77 4.867 3.321 -40.546 1.00 55.51 C ATOM 1145 O GLU A 77 3.667 3.529 -40.366 1.00 65.31 O ATOM 1146 CB GLU A 77 5.790 0.995 -40.511 1.00 60.22 C ATOM 1147 CG GLU A 77 4.565 0.098 -40.451 1.00 64.43 C ATOM 1148 CD GLU A 77 3.341 0.739 -41.077 1.00 52.41 C ATOM 1149 OE1 GLU A 77 2.443 1.164 -40.320 1.00 31.24 O ATOM 1150 OE2 GLU A 77 3.282 0.815 -42.321 1.00 22.41 O1- ATOM 0 H GLU A 77 3.994 1.726 -38.543 1.00 31.22 H new ATOM 0 HA GLU A 77 6.624 2.699 -39.499 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.003 1.237 -41.552 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.651 0.447 -40.129 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.781 -0.840 -40.962 1.00 64.43 H new ATOM 0 HG3 GLU A 77 4.350 -0.148 -39.411 1.00 64.43 H new ATOM 1157 N PRO A 78 5.573 3.978 -41.478 1.00 13.34 N ATOM 1158 CA PRO A 78 4.978 4.992 -42.354 1.00 21.23 C ATOM 1159 C PRO A 78 4.016 4.389 -43.370 1.00 62.01 C ATOM 1160 O PRO A 78 3.707 3.198 -43.316 1.00 42.25 O ATOM 1161 CB PRO A 78 6.190 5.603 -43.063 1.00 40.44 C ATOM 1162 CG PRO A 78 7.226 4.533 -43.033 1.00 2.43 C ATOM 1163 CD PRO A 78 7.007 3.781 -41.749 1.00 41.44 C ATOM 0 HA PRO A 78 4.384 5.715 -41.795 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.947 5.890 -44.086 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.535 6.502 -42.553 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.129 3.872 -43.894 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.229 4.959 -43.070 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.254 2.725 -41.855 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.626 4.174 -40.943 1.00 41.44 H new ATOM 1171 N SER A 79 3.544 5.217 -44.296 1.00 1.54 N ATOM 1172 CA SER A 79 2.613 4.764 -45.323 1.00 22.12 C ATOM 1173 C SER A 79 3.318 4.616 -46.668 1.00 55.34 C ATOM 1174 O SER A 79 4.534 4.775 -46.765 1.00 42.34 O ATOM 1175 CB SER A 79 1.446 5.746 -45.452 1.00 75.41 C ATOM 1176 OG SER A 79 0.712 5.827 -44.243 1.00 71.31 O ATOM 0 H SER A 79 3.791 6.205 -44.356 1.00 1.54 H new ATOM 0 HA SER A 79 2.228 3.789 -45.025 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.825 6.733 -45.718 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.787 5.429 -46.260 1.00 75.41 H new ATOM 0 HG SER A 79 -0.027 6.462 -44.351 1.00 71.31 H new ATOM 1182 N ASP A 80 2.544 4.309 -47.704 1.00 2.42 N ATOM 1183 CA ASP A 80 3.092 4.139 -49.043 1.00 64.33 C ATOM 1184 C ASP A 80 3.797 5.410 -49.508 1.00 41.21 C ATOM 1185 O ASP A 80 4.931 5.366 -49.986 1.00 61.31 O ATOM 1186 CB ASP A 80 1.983 3.769 -50.029 1.00 42.53 C ATOM 1187 CG ASP A 80 0.799 4.713 -49.950 1.00 72.41 C ATOM 1188 OD1 ASP A 80 0.697 5.609 -50.814 1.00 61.52 O ATOM 1189 OD2 ASP A 80 -0.024 4.555 -49.025 1.00 62.51 O1- ATOM 0 H ASP A 80 1.535 4.173 -47.641 1.00 2.42 H new ATOM 0 HA ASP A 80 3.822 3.331 -49.008 1.00 64.33 H new ATOM 0 HB2 ASP A 80 2.384 3.778 -51.042 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.647 2.752 -49.828 1.00 42.53 H new ATOM 1194 N LYS A 81 3.118 6.544 -49.365 1.00 63.24 N ATOM 1195 CA LYS A 81 3.679 7.828 -49.768 1.00 42.30 C ATOM 1196 C LYS A 81 5.046 8.049 -49.130 1.00 52.43 C ATOM 1197 O LYS A 81 6.001 8.429 -49.806 1.00 13.12 O ATOM 1198 CB LYS A 81 2.731 8.966 -49.378 1.00 24.44 C ATOM 1199 CG LYS A 81 2.306 8.930 -47.921 1.00 13.30 C ATOM 1200 CD LYS A 81 3.093 9.926 -47.086 1.00 11.42 C ATOM 1201 CE LYS A 81 2.424 11.293 -47.072 1.00 51.52 C ATOM 1202 NZ LYS A 81 1.397 11.396 -45.999 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.178 6.599 -48.973 1.00 63.24 H new ATOM 0 HA LYS A 81 3.801 7.820 -50.851 1.00 42.30 H new ATOM 0 HB2 LYS A 81 3.218 9.920 -49.582 1.00 24.44 H new ATOM 0 HB3 LYS A 81 1.843 8.920 -50.008 1.00 24.44 H new ATOM 0 HG2 LYS A 81 1.241 9.152 -47.846 1.00 13.30 H new ATOM 0 HG3 LYS A 81 2.451 7.926 -47.523 1.00 13.30 H new ATOM 0 HD2 LYS A 81 3.185 9.554 -46.065 1.00 11.42 H new ATOM 0 HD3 LYS A 81 4.103 10.018 -47.484 1.00 11.42 H new ATOM 0 HE2 LYS A 81 3.179 12.066 -46.927 1.00 51.52 H new ATOM 0 HE3 LYS A 81 1.958 11.480 -48.040 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 0.964 12.341 -46.022 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 0.663 10.675 -46.151 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 1.846 11.243 -45.073 1.00 62.13 H new ATOM 1216 N GLU A 82 5.132 7.808 -47.826 1.00 13.40 N ATOM 1217 CA GLU A 82 6.383 7.982 -47.098 1.00 22.15 C ATOM 1218 C GLU A 82 7.389 6.900 -47.481 1.00 24.23 C ATOM 1219 O GLU A 82 8.600 7.115 -47.423 1.00 2.21 O ATOM 1220 CB GLU A 82 6.132 7.949 -45.590 1.00 53.12 C ATOM 1221 CG GLU A 82 5.891 9.321 -44.983 1.00 71.53 C ATOM 1222 CD GLU A 82 6.628 9.516 -43.672 1.00 12.30 C ATOM 1223 OE1 GLU A 82 7.725 10.113 -43.692 1.00 14.14 O ATOM 1224 OE2 GLU A 82 6.109 9.073 -42.626 1.00 32.01 O1- ATOM 0 H GLU A 82 4.350 7.492 -47.252 1.00 13.40 H new ATOM 0 HA GLU A 82 6.798 8.953 -47.368 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.269 7.315 -45.388 1.00 53.12 H new ATOM 0 HB3 GLU A 82 6.988 7.488 -45.098 1.00 53.12 H new ATOM 0 HG2 GLU A 82 6.207 10.088 -45.691 1.00 71.53 H new ATOM 0 HG3 GLU A 82 4.822 9.459 -44.819 1.00 71.53 H new ATOM 1231 N TYR A 83 6.879 5.738 -47.872 1.00 32.52 N ATOM 1232 CA TYR A 83 7.731 4.620 -48.260 1.00 21.41 C ATOM 1233 C TYR A 83 8.558 4.970 -49.493 1.00 74.33 C ATOM 1234 O TYR A 83 9.783 4.839 -49.491 1.00 30.25 O ATOM 1235 CB TYR A 83 6.884 3.377 -48.536 1.00 60.15 C ATOM 1236 CG TYR A 83 7.020 2.305 -47.479 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.858 2.606 -46.132 1.00 33.43 C ATOM 1238 CD2 TYR A 83 7.310 0.992 -47.827 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.982 1.630 -45.162 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.433 0.009 -46.864 1.00 71.42 C ATOM 1241 CZ TYR A 83 7.269 0.333 -45.533 1.00 11.20 C ATOM 1242 OH TYR A 83 7.393 -0.643 -44.572 1.00 41.13 O ATOM 0 H TYR A 83 5.879 5.545 -47.929 1.00 32.52 H new ATOM 0 HA TYR A 83 8.412 4.411 -47.435 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.837 3.670 -48.611 1.00 60.15 H new ATOM 0 HB3 TYR A 83 7.169 2.961 -49.502 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.631 3.620 -45.838 1.00 33.43 H new ATOM 0 HD2 TYR A 83 7.442 0.735 -48.868 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.855 1.881 -44.119 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.656 -1.008 -47.152 1.00 71.42 H new ATOM 0 HH TYR A 83 7.595 -1.501 -45.001 1.00 41.13 H new ATOM 1252 N ASP A 84 7.880 5.416 -50.546 1.00 24.14 N ATOM 1253 CA ASP A 84 8.550 5.787 -51.787 1.00 41.30 C ATOM 1254 C ASP A 84 9.343 7.078 -51.610 1.00 24.23 C ATOM 1255 O ASP A 84 10.479 7.191 -52.076 1.00 11.41 O ATOM 1256 CB ASP A 84 7.530 5.950 -52.913 1.00 33.25 C ATOM 1257 CG ASP A 84 8.061 5.468 -54.250 1.00 12.43 C ATOM 1258 OD1 ASP A 84 9.289 5.271 -54.364 1.00 71.12 O ATOM 1259 OD2 ASP A 84 7.249 5.289 -55.181 1.00 45.14 O1- ATOM 0 H ASP A 84 6.866 5.529 -50.564 1.00 24.14 H new ATOM 0 HA ASP A 84 9.244 4.989 -52.050 1.00 41.30 H new ATOM 0 HB2 ASP A 84 6.626 5.395 -52.663 1.00 33.25 H new ATOM 0 HB3 ASP A 84 7.248 7.000 -52.994 1.00 33.25 H new ATOM 1264 N LEU A 85 8.738 8.051 -50.938 1.00 20.31 N ATOM 1265 CA LEU A 85 9.387 9.336 -50.701 1.00 5.33 C ATOM 1266 C LEU A 85 10.747 9.144 -50.037 1.00 63.15 C ATOM 1267 O LEU A 85 11.749 9.709 -50.478 1.00 64.22 O ATOM 1268 CB LEU A 85 8.500 10.223 -49.826 1.00 32.10 C ATOM 1269 CG LEU A 85 8.868 11.707 -49.784 1.00 40.23 C ATOM 1270 CD1 LEU A 85 8.768 12.321 -51.172 1.00 13.40 C ATOM 1271 CD2 LEU A 85 7.974 12.451 -48.804 1.00 5.43 C ATOM 0 H LEU A 85 7.799 7.975 -50.547 1.00 20.31 H new ATOM 0 HA LEU A 85 9.539 9.823 -51.664 1.00 5.33 H new ATOM 0 HB2 LEU A 85 7.472 10.134 -50.177 1.00 32.10 H new ATOM 0 HB3 LEU A 85 8.524 9.834 -48.808 1.00 32.10 H new ATOM 0 HG LEU A 85 9.899 11.796 -49.443 1.00 40.23 H new ATOM 0 HD11 LEU A 85 9.033 13.377 -51.123 1.00 13.40 H new ATOM 0 HD12 LEU A 85 9.451 11.806 -51.848 1.00 13.40 H new ATOM 0 HD13 LEU A 85 7.748 12.220 -51.542 1.00 13.40 H new ATOM 0 HD21 LEU A 85 8.250 13.505 -48.787 1.00 5.43 H new ATOM 0 HD22 LEU A 85 6.934 12.353 -49.114 1.00 5.43 H new ATOM 0 HD23 LEU A 85 8.096 12.028 -47.807 1.00 5.43 H new ATOM 1283 N ILE A 86 10.776 8.344 -48.977 1.00 45.10 N ATOM 1284 CA ILE A 86 12.013 8.077 -48.255 1.00 32.42 C ATOM 1285 C ILE A 86 12.907 7.118 -49.034 1.00 52.13 C ATOM 1286 O ILE A 86 14.133 7.225 -48.995 1.00 14.31 O ATOM 1287 CB ILE A 86 11.736 7.484 -46.862 1.00 62.20 C ATOM 1288 CG1 ILE A 86 10.841 8.426 -46.052 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.042 7.223 -46.126 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.206 7.769 -44.847 1.00 63.41 C ATOM 0 H ILE A 86 9.956 7.869 -48.599 1.00 45.10 H new ATOM 0 HA ILE A 86 12.523 9.033 -48.138 1.00 32.42 H new ATOM 0 HB ILE A 86 11.216 6.534 -46.985 1.00 62.20 H new ATOM 0 HG12 ILE A 86 11.432 9.280 -45.721 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.055 8.814 -46.700 1.00 10.12 H new ATOM 0 HG21 ILE A 86 12.828 6.804 -45.143 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.647 6.519 -46.697 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.588 8.159 -46.010 1.00 11.21 H new ATOM 0 HD11 ILE A 86 9.586 8.495 -44.321 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.588 6.932 -45.172 1.00 63.41 H new ATOM 0 HD13 ILE A 86 10.986 7.405 -44.178 1.00 63.41 H new ATOM 1302 N ASP A 87 12.286 6.181 -49.742 1.00 50.21 N ATOM 1303 CA ASP A 87 13.024 5.204 -50.534 1.00 61.54 C ATOM 1304 C ASP A 87 13.810 5.890 -51.648 1.00 73.01 C ATOM 1305 O ASP A 87 14.709 5.294 -52.242 1.00 74.03 O ATOM 1306 CB ASP A 87 12.068 4.171 -51.129 1.00 35.13 C ATOM 1307 CG ASP A 87 12.769 3.204 -52.063 1.00 41.55 C ATOM 1308 OD1 ASP A 87 12.509 3.264 -53.283 1.00 61.45 O ATOM 1309 OD2 ASP A 87 13.577 2.387 -51.574 1.00 51.34 O1- ATOM 0 H ASP A 87 11.272 6.077 -49.784 1.00 50.21 H new ATOM 0 HA ASP A 87 13.729 4.697 -49.875 1.00 61.54 H new ATOM 0 HB2 ASP A 87 11.593 3.613 -50.322 1.00 35.13 H new ATOM 0 HB3 ASP A 87 11.274 4.685 -51.671 1.00 35.13 H new ATOM 1314 N GLN A 88 13.463 7.143 -51.925 1.00 32.35 N ATOM 1315 CA GLN A 88 14.135 7.907 -52.970 1.00 71.22 C ATOM 1316 C GLN A 88 15.513 8.366 -52.506 1.00 44.01 C ATOM 1317 O GLN A 88 16.392 8.646 -53.321 1.00 30.30 O ATOM 1318 CB GLN A 88 13.288 9.116 -53.370 1.00 71.55 C ATOM 1319 CG GLN A 88 13.606 10.372 -52.573 1.00 72.24 C ATOM 1320 CD GLN A 88 12.504 11.410 -52.656 1.00 74.11 C ATOM 1321 OE1 GLN A 88 12.113 12.001 -51.649 1.00 14.12 O ATOM 1322 NE2 GLN A 88 11.996 11.638 -53.862 1.00 31.43 N ATOM 0 H GLN A 88 12.722 7.650 -51.441 1.00 32.35 H new ATOM 0 HA GLN A 88 14.262 7.259 -53.837 1.00 71.22 H new ATOM 0 HB2 GLN A 88 13.439 9.320 -54.430 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.234 8.870 -53.240 1.00 71.55 H new ATOM 0 HG2 GLN A 88 13.770 10.104 -51.529 1.00 72.24 H new ATOM 0 HG3 GLN A 88 14.536 10.805 -52.940 1.00 72.24 H new ATOM 0 HE21 GLN A 88 12.350 11.125 -54.670 1.00 31.43 H new ATOM 0 HE22 GLN A 88 11.252 12.326 -53.980 1.00 31.43 H new ATOM 1331 N ALA A 89 15.696 8.444 -51.192 1.00 43.05 N ATOM 1332 CA ALA A 89 16.966 8.868 -50.620 1.00 33.15 C ATOM 1333 C ALA A 89 17.897 7.679 -50.406 1.00 24.14 C ATOM 1334 O ALA A 89 17.472 6.620 -49.942 1.00 71.13 O ATOM 1335 CB ALA A 89 16.736 9.602 -49.307 1.00 12.20 C ATOM 0 H ALA A 89 14.978 8.218 -50.503 1.00 43.05 H new ATOM 0 HA ALA A 89 17.443 9.548 -51.325 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.694 9.913 -48.891 1.00 12.20 H new ATOM 0 HB2 ALA A 89 16.116 10.480 -49.485 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.233 8.939 -48.603 1.00 12.20 H new ATOM 1341 N PHE A 90 19.169 7.859 -50.750 1.00 74.20 N ATOM 1342 CA PHE A 90 20.159 6.799 -50.598 1.00 75.52 C ATOM 1343 C PHE A 90 20.224 6.319 -49.151 1.00 71.45 C ATOM 1344 O PHE A 90 20.397 7.114 -48.229 1.00 12.24 O ATOM 1345 CB PHE A 90 21.537 7.292 -51.045 1.00 64.23 C ATOM 1346 CG PHE A 90 22.514 6.182 -51.307 1.00 13.13 C ATOM 1347 CD1 PHE A 90 22.150 5.087 -52.073 1.00 30.42 C ATOM 1348 CD2 PHE A 90 23.797 6.234 -50.785 1.00 65.35 C ATOM 1349 CE1 PHE A 90 23.047 4.064 -52.316 1.00 45.43 C ATOM 1350 CE2 PHE A 90 24.699 5.214 -51.025 1.00 31.34 C ATOM 1351 CZ PHE A 90 24.324 4.127 -51.790 1.00 1.02 C ATOM 0 H PHE A 90 19.538 8.728 -51.136 1.00 74.20 H new ATOM 0 HA PHE A 90 19.858 5.962 -51.227 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.425 7.888 -51.951 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.945 7.951 -50.278 1.00 64.23 H new ATOM 0 HD1 PHE A 90 21.153 5.032 -52.485 1.00 30.42 H new ATOM 0 HD2 PHE A 90 24.095 7.080 -50.184 1.00 65.35 H new ATOM 0 HE1 PHE A 90 22.751 3.216 -52.916 1.00 45.43 H new ATOM 0 HE2 PHE A 90 25.696 5.267 -50.614 1.00 31.34 H new ATOM 0 HZ PHE A 90 25.027 3.328 -51.977 1.00 1.02 H new ATOM 1361 N GLY A 91 20.081 5.010 -48.961 1.00 12.51 N ATOM 1362 CA GLY A 91 20.125 4.446 -47.624 1.00 14.41 C ATOM 1363 C GLY A 91 19.172 5.139 -46.671 1.00 73.13 C ATOM 1364 O GLY A 91 19.514 5.393 -45.516 1.00 4.35 O ATOM 0 H GLY A 91 19.936 4.331 -49.708 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.878 3.385 -47.672 1.00 14.41 H new ATOM 0 HA3 GLY A 91 21.141 4.520 -47.235 1.00 14.41 H new ATOM 1368 N ALA A 92 17.972 5.445 -47.155 1.00 4.24 N ATOM 1369 CA ALA A 92 16.967 6.113 -46.336 1.00 70.22 C ATOM 1370 C ALA A 92 15.810 5.174 -46.014 1.00 24.25 C ATOM 1371 O ALA A 92 15.358 4.411 -46.870 1.00 13.15 O ATOM 1372 CB ALA A 92 16.456 7.360 -47.042 1.00 0.13 C ATOM 0 H ALA A 92 17.673 5.241 -48.109 1.00 4.24 H new ATOM 0 HA ALA A 92 17.435 6.406 -45.396 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.706 7.849 -46.420 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.286 8.045 -47.217 1.00 0.13 H new ATOM 0 HB3 ALA A 92 16.009 7.081 -47.996 1.00 0.13 H new ATOM 1378 N THR A 93 15.333 5.232 -44.775 1.00 45.11 N ATOM 1379 CA THR A 93 14.230 4.385 -44.339 1.00 43.04 C ATOM 1380 C THR A 93 13.305 5.134 -43.387 1.00 51.13 C ATOM 1381 O THR A 93 13.718 6.084 -42.723 1.00 12.44 O ATOM 1382 CB THR A 93 14.742 3.111 -43.641 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.000 2.717 -44.201 1.00 31.50 O ATOM 1384 CG2 THR A 93 13.740 1.976 -43.786 1.00 75.11 C ATOM 0 H THR A 93 15.694 5.858 -44.055 1.00 45.11 H new ATOM 0 HA THR A 93 13.676 4.103 -45.234 1.00 43.04 H new ATOM 0 HB THR A 93 14.869 3.330 -42.581 1.00 14.42 H new ATOM 0 HG1 THR A 93 16.319 1.907 -43.751 1.00 31.50 H new ATOM 0 HG21 THR A 93 14.123 1.087 -43.285 1.00 75.11 H new ATOM 0 HG22 THR A 93 12.792 2.267 -43.334 1.00 75.11 H new ATOM 0 HG23 THR A 93 13.586 1.759 -44.843 1.00 75.11 H new ATOM 1392 N GLY A 94 12.049 4.701 -43.326 1.00 64.34 N ATOM 1393 CA GLY A 94 11.084 5.343 -42.453 1.00 73.52 C ATOM 1394 C GLY A 94 11.544 5.378 -41.009 1.00 11.42 C ATOM 1395 O GLY A 94 11.149 6.259 -40.245 1.00 75.13 O ATOM 0 H GLY A 94 11.683 3.917 -43.866 1.00 64.34 H new ATOM 0 HA2 GLY A 94 10.906 6.361 -42.799 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.133 4.814 -42.516 1.00 73.52 H new ATOM 1399 N THR A 95 12.380 4.416 -40.631 1.00 3.02 N ATOM 1400 CA THR A 95 12.892 4.339 -39.269 1.00 45.00 C ATOM 1401 C THR A 95 13.939 5.417 -39.013 1.00 1.41 C ATOM 1402 O THR A 95 14.462 5.535 -37.905 1.00 53.40 O ATOM 1403 CB THR A 95 13.511 2.958 -38.979 1.00 64.24 C ATOM 1404 OG1 THR A 95 14.794 2.855 -39.607 1.00 24.23 O ATOM 1405 CG2 THR A 95 12.606 1.842 -39.478 1.00 23.25 C ATOM 0 H THR A 95 12.717 3.679 -41.250 1.00 3.02 H new ATOM 0 HA THR A 95 12.044 4.496 -38.603 1.00 45.00 H new ATOM 0 HB THR A 95 13.625 2.856 -37.900 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.412 2.381 -39.012 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.065 0.877 -39.262 1.00 23.25 H new ATOM 0 HG22 THR A 95 11.640 1.905 -38.977 1.00 23.25 H new ATOM 0 HG23 THR A 95 12.463 1.943 -40.554 1.00 23.25 H new ATOM 1413 N SER A 96 14.238 6.200 -40.043 1.00 4.44 N ATOM 1414 CA SER A 96 15.225 7.268 -39.930 1.00 60.11 C ATOM 1415 C SER A 96 14.575 8.560 -39.446 1.00 71.41 C ATOM 1416 O SER A 96 15.259 9.494 -39.027 1.00 10.54 O ATOM 1417 CB SER A 96 15.911 7.503 -41.277 1.00 33.34 C ATOM 1418 OG SER A 96 16.901 8.512 -41.176 1.00 54.01 O ATOM 0 H SER A 96 13.811 6.116 -40.966 1.00 4.44 H new ATOM 0 HA SER A 96 15.972 6.961 -39.198 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.367 6.575 -41.623 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.169 7.791 -42.021 1.00 33.34 H new ATOM 0 HG SER A 96 16.708 9.084 -40.404 1.00 54.01 H new ATOM 1424 N ARG A 97 13.248 8.606 -39.507 1.00 14.14 N ATOM 1425 CA ARG A 97 12.503 9.784 -39.077 1.00 44.44 C ATOM 1426 C ARG A 97 11.698 9.487 -37.816 1.00 41.24 C ATOM 1427 O ARG A 97 11.555 8.331 -37.415 1.00 64.24 O ATOM 1428 CB ARG A 97 11.569 10.258 -40.192 1.00 70.20 C ATOM 1429 CG ARG A 97 12.280 10.525 -41.509 1.00 33.41 C ATOM 1430 CD ARG A 97 11.320 11.057 -42.561 1.00 21.13 C ATOM 1431 NE ARG A 97 11.329 12.516 -42.622 1.00 44.32 N ATOM 1432 CZ ARG A 97 10.798 13.213 -43.621 1.00 45.23 C ATOM 1433 NH1 ARG A 97 10.218 12.588 -44.635 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 10.846 14.540 -43.605 1.00 33.05 N ATOM 0 H ARG A 97 12.667 7.841 -39.850 1.00 14.14 H new ATOM 0 HA ARG A 97 13.219 10.574 -38.852 1.00 44.44 H new ATOM 0 HB2 ARG A 97 10.796 9.506 -40.352 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.065 11.169 -39.870 1.00 70.20 H new ATOM 0 HG2 ARG A 97 13.084 11.244 -41.351 1.00 33.41 H new ATOM 0 HG3 ARG A 97 12.742 9.605 -41.868 1.00 33.41 H new ATOM 0 HD2 ARG A 97 11.590 10.652 -43.536 1.00 21.13 H new ATOM 0 HD3 ARG A 97 10.311 10.710 -42.340 1.00 21.13 H new ATOM 0 HE ARG A 97 11.767 13.028 -41.856 1.00 44.32 H new ATOM 0 HH11 ARG A 97 10.178 11.569 -44.650 1.00 54.10 H new ATOM 0 HH12 ARG A 97 9.811 13.126 -45.400 1.00 54.10 H new ATOM 0 HH21 ARG A 97 11.291 15.025 -42.826 1.00 33.05 H new ATOM 0 HH22 ARG A 97 10.438 15.074 -44.372 1.00 33.05 H new ATOM 1448 N LEU A 98 11.173 10.538 -37.194 1.00 2.12 N ATOM 1449 CA LEU A 98 10.382 10.389 -35.977 1.00 73.45 C ATOM 1450 C LEU A 98 11.218 9.784 -34.854 1.00 21.34 C ATOM 1451 O LEU A 98 11.385 8.567 -34.779 1.00 13.34 O ATOM 1452 CB LEU A 98 9.156 9.516 -36.246 1.00 23.22 C ATOM 1453 CG LEU A 98 7.832 10.257 -36.438 1.00 64.21 C ATOM 1454 CD1 LEU A 98 7.404 10.928 -35.143 1.00 54.22 C ATOM 1455 CD2 LEU A 98 7.952 11.280 -37.558 1.00 44.21 C ATOM 0 H LEU A 98 11.281 11.501 -37.512 1.00 2.12 H new ATOM 0 HA LEU A 98 10.052 11.380 -35.664 1.00 73.45 H new ATOM 0 HB2 LEU A 98 9.348 8.920 -37.138 1.00 23.22 H new ATOM 0 HB3 LEU A 98 9.042 8.819 -35.416 1.00 23.22 H new ATOM 0 HG LEU A 98 7.068 9.532 -36.716 1.00 64.21 H new ATOM 0 HD11 LEU A 98 6.460 11.450 -35.299 1.00 54.22 H new ATOM 0 HD12 LEU A 98 7.277 10.173 -34.367 1.00 54.22 H new ATOM 0 HD13 LEU A 98 8.167 11.642 -34.834 1.00 54.22 H new ATOM 0 HD21 LEU A 98 7.001 11.798 -37.681 1.00 44.21 H new ATOM 0 HD22 LEU A 98 8.729 12.003 -37.309 1.00 44.21 H new ATOM 0 HD23 LEU A 98 8.212 10.773 -38.487 1.00 44.21 H new ATOM 1467 N GLY A 99 11.738 10.641 -33.982 1.00 65.55 N ATOM 1468 CA GLY A 99 12.548 10.171 -32.873 1.00 71.01 C ATOM 1469 C GLY A 99 12.963 11.292 -31.942 1.00 52.33 C ATOM 1470 O GLY A 99 14.041 11.249 -31.347 1.00 62.04 O ATOM 0 H GLY A 99 11.613 11.652 -34.023 1.00 65.55 H new ATOM 0 HA2 GLY A 99 11.989 9.424 -32.310 1.00 71.01 H new ATOM 0 HA3 GLY A 99 13.439 9.677 -33.261 1.00 71.01 H new ATOM 1474 N CYS A 100 12.108 12.301 -31.814 1.00 23.20 N ATOM 1475 CA CYS A 100 12.391 13.441 -30.951 1.00 42.23 C ATOM 1476 C CYS A 100 11.717 13.275 -29.593 1.00 61.43 C ATOM 1477 O CYS A 100 12.384 13.064 -28.580 1.00 22.54 O ATOM 1478 CB CYS A 100 11.919 14.738 -31.611 1.00 12.14 C ATOM 1479 SG CYS A 100 12.500 16.250 -30.779 1.00 33.11 S ATOM 0 H CYS A 100 11.212 12.352 -32.298 1.00 23.20 H new ATOM 0 HA CYS A 100 13.469 13.490 -30.799 1.00 42.23 H new ATOM 0 HB2 CYS A 100 12.261 14.752 -32.646 1.00 12.14 H new ATOM 0 HB3 CYS A 100 10.829 14.745 -31.635 1.00 12.14 H new ATOM 0 HG CYS A 100 12.051 17.293 -31.412 1.00 33.11 H new ATOM 1484 N GLN A 101 10.392 13.372 -29.580 1.00 51.23 N ATOM 1485 CA GLN A 101 9.628 13.233 -28.345 1.00 32.50 C ATOM 1486 C GLN A 101 9.275 11.773 -28.085 1.00 24.44 C ATOM 1487 O GLN A 101 8.113 11.436 -27.853 1.00 62.34 O ATOM 1488 CB GLN A 101 8.352 14.075 -28.413 1.00 54.33 C ATOM 1489 CG GLN A 101 8.587 15.499 -28.889 1.00 51.15 C ATOM 1490 CD GLN A 101 7.299 16.283 -29.043 1.00 64.22 C ATOM 1491 OE1 GLN A 101 6.561 16.104 -30.012 1.00 14.41 O ATOM 1492 NE2 GLN A 101 7.021 17.159 -28.084 1.00 64.44 N ATOM 0 H GLN A 101 9.825 13.546 -30.410 1.00 51.23 H new ATOM 0 HA GLN A 101 10.247 13.590 -27.522 1.00 32.50 H new ATOM 0 HB2 GLN A 101 7.642 13.590 -29.082 1.00 54.33 H new ATOM 0 HB3 GLN A 101 7.892 14.102 -27.425 1.00 54.33 H new ATOM 0 HG2 GLN A 101 9.238 16.012 -28.181 1.00 51.15 H new ATOM 0 HG3 GLN A 101 9.111 15.477 -29.845 1.00 51.15 H new ATOM 0 HE21 GLN A 101 7.661 17.275 -27.298 1.00 64.44 H new ATOM 0 HE22 GLN A 101 6.168 17.715 -28.133 1.00 64.44 H new ATOM 1501 N LEU A 102 10.283 10.909 -28.126 1.00 65.25 N ATOM 1502 CA LEU A 102 10.080 9.483 -27.894 1.00 63.32 C ATOM 1503 C LEU A 102 10.261 9.140 -26.420 1.00 43.03 C ATOM 1504 O LEU A 102 11.358 9.259 -25.875 1.00 43.45 O ATOM 1505 CB LEU A 102 11.053 8.665 -28.745 1.00 54.24 C ATOM 1506 CG LEU A 102 11.054 7.155 -28.498 1.00 12.13 C ATOM 1507 CD1 LEU A 102 11.391 6.406 -29.778 1.00 65.13 C ATOM 1508 CD2 LEU A 102 12.035 6.796 -27.392 1.00 5.14 C ATOM 0 H LEU A 102 11.250 11.171 -28.318 1.00 65.25 H new ATOM 0 HA LEU A 102 9.058 9.234 -28.182 1.00 63.32 H new ATOM 0 HB2 LEU A 102 10.822 8.841 -29.796 1.00 54.24 H new ATOM 0 HB3 LEU A 102 12.061 9.042 -28.572 1.00 54.24 H new ATOM 0 HG LEU A 102 10.055 6.857 -28.179 1.00 12.13 H new ATOM 0 HD11 LEU A 102 11.387 5.333 -29.584 1.00 65.13 H new ATOM 0 HD12 LEU A 102 10.649 6.639 -30.542 1.00 65.13 H new ATOM 0 HD13 LEU A 102 12.378 6.708 -30.127 1.00 65.13 H new ATOM 0 HD21 LEU A 102 12.022 5.718 -27.230 1.00 5.14 H new ATOM 0 HD22 LEU A 102 13.039 7.108 -27.681 1.00 5.14 H new ATOM 0 HD23 LEU A 102 11.748 7.305 -26.472 1.00 5.14 H new ATOM 1520 N ARG A 103 9.178 8.711 -25.780 1.00 52.25 N ATOM 1521 CA ARG A 103 9.218 8.348 -24.369 1.00 12.23 C ATOM 1522 C ARG A 103 9.667 6.901 -24.191 1.00 22.20 C ATOM 1523 O ARG A 103 9.202 6.005 -24.896 1.00 3.34 O ATOM 1524 CB ARG A 103 7.841 8.548 -23.730 1.00 33.05 C ATOM 1525 CG ARG A 103 7.472 10.008 -23.525 1.00 62.04 C ATOM 1526 CD ARG A 103 6.664 10.204 -22.252 1.00 70.21 C ATOM 1527 NE ARG A 103 5.956 11.483 -22.244 1.00 53.42 N ATOM 1528 CZ ARG A 103 6.548 12.650 -22.016 1.00 21.50 C ATOM 1529 NH1 ARG A 103 7.851 12.700 -21.778 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 5.836 13.769 -22.027 1.00 43.51 N ATOM 0 H ARG A 103 8.262 8.606 -26.217 1.00 52.25 H new ATOM 0 HA ARG A 103 9.940 8.997 -23.874 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.086 8.076 -24.359 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.819 8.038 -22.767 1.00 33.05 H new ATOM 0 HG2 ARG A 103 8.379 10.611 -23.478 1.00 62.04 H new ATOM 0 HG3 ARG A 103 6.897 10.363 -24.380 1.00 62.04 H new ATOM 0 HD2 ARG A 103 5.945 9.391 -22.150 1.00 70.21 H new ATOM 0 HD3 ARG A 103 7.328 10.152 -21.389 1.00 70.21 H new ATOM 0 HE ARG A 103 4.952 11.479 -22.423 1.00 53.42 H new ATOM 0 HH11 ARG A 103 8.401 11.841 -21.770 1.00 52.01 H new ATOM 0 HH12 ARG A 103 8.303 13.597 -21.603 1.00 52.01 H new ATOM 0 HH21 ARG A 103 4.833 13.734 -22.211 1.00 43.51 H new ATOM 0 HH22 ARG A 103 6.291 14.665 -21.852 1.00 43.51 H new ATOM 1544 N VAL A 104 10.573 6.679 -23.245 1.00 21.01 N ATOM 1545 CA VAL A 104 11.085 5.341 -22.975 1.00 23.15 C ATOM 1546 C VAL A 104 9.960 4.394 -22.572 1.00 51.50 C ATOM 1547 O VAL A 104 9.247 4.639 -21.600 1.00 20.41 O ATOM 1548 CB VAL A 104 12.148 5.362 -21.860 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.652 3.955 -21.576 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.298 6.283 -22.237 1.00 72.24 C ATOM 0 H VAL A 104 10.968 7.409 -22.652 1.00 21.01 H new ATOM 0 HA VAL A 104 11.543 4.984 -23.897 1.00 23.15 H new ATOM 0 HB VAL A 104 11.687 5.748 -20.951 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.402 3.990 -20.786 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.819 3.327 -21.259 1.00 0.25 H new ATOM 0 HG13 VAL A 104 13.096 3.538 -22.480 1.00 0.25 H new ATOM 0 HG21 VAL A 104 14.039 6.285 -21.438 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.760 5.930 -23.159 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.920 7.295 -22.385 1.00 72.24 H new ATOM 1560 N ASP A 105 9.809 3.311 -23.327 1.00 71.13 N ATOM 1561 CA ASP A 105 8.772 2.324 -23.049 1.00 40.04 C ATOM 1562 C ASP A 105 9.318 0.907 -23.191 1.00 72.04 C ATOM 1563 O ASP A 105 10.347 0.687 -23.831 1.00 10.30 O ATOM 1564 CB ASP A 105 7.584 2.522 -23.992 1.00 44.20 C ATOM 1565 CG ASP A 105 6.350 1.770 -23.534 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.152 0.624 -23.989 1.00 23.23 O ATOM 1567 OD2 ASP A 105 5.583 2.326 -22.722 1.00 33.31 O1- ATOM 0 H ASP A 105 10.391 3.095 -24.136 1.00 71.13 H new ATOM 0 HA ASP A 105 8.438 2.464 -22.021 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.353 3.585 -24.062 1.00 44.20 H new ATOM 0 HB3 ASP A 105 7.859 2.189 -24.993 1.00 44.20 H new ATOM 1572 N LYS A 106 8.624 -0.052 -22.586 1.00 24.41 N ATOM 1573 CA LYS A 106 9.039 -1.449 -22.644 1.00 72.51 C ATOM 1574 C LYS A 106 9.226 -1.901 -24.088 1.00 64.01 C ATOM 1575 O LYS A 106 10.010 -2.809 -24.368 1.00 34.22 O ATOM 1576 CB LYS A 106 8.004 -2.338 -21.949 1.00 13.33 C ATOM 1577 CG LYS A 106 8.592 -3.609 -21.362 1.00 33.41 C ATOM 1578 CD LYS A 106 7.823 -4.061 -20.131 1.00 30.24 C ATOM 1579 CE LYS A 106 6.455 -4.611 -20.499 1.00 13.42 C ATOM 1580 NZ LYS A 106 5.463 -4.409 -19.407 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.772 0.113 -22.050 1.00 24.41 H new ATOM 0 HA LYS A 106 9.994 -1.541 -22.127 1.00 72.51 H new ATOM 0 HB2 LYS A 106 7.524 -1.768 -21.153 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.226 -2.604 -22.665 1.00 13.33 H new ATOM 0 HG2 LYS A 106 8.576 -4.399 -22.113 1.00 33.41 H new ATOM 0 HG3 LYS A 106 9.636 -3.440 -21.099 1.00 33.41 H new ATOM 0 HD2 LYS A 106 8.394 -4.826 -19.605 1.00 30.24 H new ATOM 0 HD3 LYS A 106 7.706 -3.222 -19.445 1.00 30.24 H new ATOM 0 HE2 LYS A 106 6.100 -4.123 -21.407 1.00 13.42 H new ATOM 0 HE3 LYS A 106 6.539 -5.675 -20.721 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 4.543 -4.798 -19.697 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 5.789 -4.896 -18.548 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 5.363 -3.392 -19.212 1.00 24.12 H new ATOM 1594 N SER A 107 8.502 -1.263 -25.002 1.00 1.32 N ATOM 1595 CA SER A 107 8.587 -1.602 -26.418 1.00 32.25 C ATOM 1596 C SER A 107 9.992 -1.345 -26.955 1.00 64.51 C ATOM 1597 O SER A 107 10.444 -2.010 -27.888 1.00 35.32 O ATOM 1598 CB SER A 107 7.567 -0.793 -27.221 1.00 25.21 C ATOM 1599 OG SER A 107 6.518 -1.620 -27.691 1.00 60.12 O ATOM 0 H SER A 107 7.850 -0.509 -24.787 1.00 1.32 H new ATOM 0 HA SER A 107 8.364 -2.663 -26.525 1.00 32.25 H new ATOM 0 HB2 SER A 107 7.157 0.002 -26.598 1.00 25.21 H new ATOM 0 HB3 SER A 107 8.062 -0.313 -28.065 1.00 25.21 H new ATOM 0 HG SER A 107 5.878 -1.079 -28.200 1.00 60.12 H new ATOM 1605 N PHE A 108 10.678 -0.375 -26.359 1.00 54.12 N ATOM 1606 CA PHE A 108 12.031 -0.028 -26.776 1.00 31.34 C ATOM 1607 C PHE A 108 13.065 -0.843 -26.003 1.00 52.43 C ATOM 1608 O PHE A 108 14.259 -0.549 -26.045 1.00 20.31 O ATOM 1609 CB PHE A 108 12.284 1.466 -26.568 1.00 33.33 C ATOM 1610 CG PHE A 108 11.338 2.346 -27.332 1.00 11.41 C ATOM 1611 CD1 PHE A 108 10.851 3.515 -26.770 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.935 2.005 -28.613 1.00 23.10 C ATOM 1613 CE1 PHE A 108 9.980 4.328 -27.471 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.064 2.814 -29.319 1.00 0.32 C ATOM 1615 CZ PHE A 108 9.585 3.976 -28.746 1.00 71.21 C ATOM 0 H PHE A 108 10.319 0.185 -25.586 1.00 54.12 H new ATOM 0 HA PHE A 108 12.129 -0.262 -27.836 1.00 31.34 H new ATOM 0 HB2 PHE A 108 12.203 1.696 -25.506 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.306 1.698 -26.868 1.00 33.33 H new ATOM 0 HD1 PHE A 108 11.156 3.794 -25.772 1.00 41.10 H new ATOM 0 HD2 PHE A 108 11.305 1.097 -29.065 1.00 23.10 H new ATOM 0 HE1 PHE A 108 9.609 5.237 -27.022 1.00 64.01 H new ATOM 0 HE2 PHE A 108 9.758 2.538 -30.317 1.00 0.32 H new ATOM 0 HZ PHE A 108 8.903 4.608 -29.295 1.00 71.21 H new ATOM 1625 N GLU A 109 12.596 -1.868 -25.299 1.00 45.42 N ATOM 1626 CA GLU A 109 13.479 -2.724 -24.516 1.00 14.13 C ATOM 1627 C GLU A 109 14.515 -3.399 -25.410 1.00 53.04 C ATOM 1628 O GLU A 109 14.169 -4.129 -26.338 1.00 0.14 O ATOM 1629 CB GLU A 109 12.667 -3.784 -23.768 1.00 15.44 C ATOM 1630 CG GLU A 109 13.505 -4.654 -22.847 1.00 21.13 C ATOM 1631 CD GLU A 109 12.667 -5.632 -22.047 1.00 40.23 C ATOM 1632 OE1 GLU A 109 11.423 -5.519 -22.088 1.00 23.25 O ATOM 1633 OE2 GLU A 109 13.253 -6.510 -21.380 1.00 62.22 O1- ATOM 0 H GLU A 109 11.610 -2.126 -25.255 1.00 45.42 H new ATOM 0 HA GLU A 109 14.001 -2.099 -23.792 1.00 14.13 H new ATOM 0 HB2 GLU A 109 11.892 -3.290 -23.182 1.00 15.44 H new ATOM 0 HB3 GLU A 109 12.160 -4.420 -24.493 1.00 15.44 H new ATOM 0 HG2 GLU A 109 14.235 -5.206 -23.439 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.066 -4.017 -22.163 1.00 21.13 H new ATOM 1640 N ASN A 110 15.789 -3.148 -25.122 1.00 40.22 N ATOM 1641 CA ASN A 110 16.877 -3.730 -25.900 1.00 12.52 C ATOM 1642 C ASN A 110 16.841 -3.233 -27.342 1.00 14.11 C ATOM 1643 O ASN A 110 17.394 -3.865 -28.241 1.00 14.41 O ATOM 1644 CB ASN A 110 16.792 -5.256 -25.873 1.00 53.45 C ATOM 1645 CG ASN A 110 17.858 -5.879 -24.992 1.00 14.25 C ATOM 1646 OD1 ASN A 110 18.949 -5.330 -24.837 1.00 53.03 O ATOM 1647 ND2 ASN A 110 17.547 -7.032 -24.411 1.00 13.04 N ATOM 0 H ASN A 110 16.093 -2.546 -24.356 1.00 40.22 H new ATOM 0 HA ASN A 110 17.819 -3.418 -25.450 1.00 12.52 H new ATOM 0 HB2 ASN A 110 15.807 -5.556 -25.515 1.00 53.45 H new ATOM 0 HB3 ASN A 110 16.893 -5.641 -26.888 1.00 53.45 H new ATOM 0 HD21 ASN A 110 18.225 -7.498 -23.808 1.00 13.04 H new ATOM 0 HD22 ASN A 110 16.630 -7.451 -24.568 1.00 13.04 H new ATOM 1654 N ALA A 111 16.185 -2.097 -27.555 1.00 11.53 N ATOM 1655 CA ALA A 111 16.079 -1.514 -28.887 1.00 33.33 C ATOM 1656 C ALA A 111 17.383 -0.839 -29.296 1.00 12.12 C ATOM 1657 O ALA A 111 18.158 -0.397 -28.447 1.00 32.25 O ATOM 1658 CB ALA A 111 14.928 -0.518 -28.936 1.00 12.32 C ATOM 0 H ALA A 111 15.719 -1.562 -26.822 1.00 11.53 H new ATOM 0 HA ALA A 111 15.880 -2.319 -29.595 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.860 -0.090 -29.936 1.00 12.32 H new ATOM 0 HB2 ALA A 111 13.995 -1.028 -28.695 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.104 0.278 -28.212 1.00 12.32 H new ATOM 1664 N VAL A 112 17.620 -0.763 -30.602 1.00 73.01 N ATOM 1665 CA VAL A 112 18.832 -0.141 -31.124 1.00 70.21 C ATOM 1666 C VAL A 112 18.532 1.229 -31.721 1.00 23.10 C ATOM 1667 O VAL A 112 17.652 1.369 -32.570 1.00 15.11 O ATOM 1668 CB VAL A 112 19.497 -1.023 -32.197 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.926 -0.568 -32.451 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.460 -2.486 -31.782 1.00 42.04 C ATOM 0 H VAL A 112 16.989 -1.124 -31.318 1.00 73.01 H new ATOM 0 HA VAL A 112 19.517 -0.026 -30.284 1.00 70.21 H new ATOM 0 HB VAL A 112 18.937 -0.919 -33.126 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.380 -1.203 -33.212 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.923 0.466 -32.796 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.501 -0.641 -31.528 1.00 55.14 H new ATOM 0 HG21 VAL A 112 19.934 -3.095 -32.552 1.00 42.04 H new ATOM 0 HG22 VAL A 112 19.995 -2.611 -30.840 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.425 -2.802 -31.656 1.00 42.04 H new ATOM 1680 N PHE A 113 19.270 2.238 -31.272 1.00 22.12 N ATOM 1681 CA PHE A 113 19.084 3.599 -31.762 1.00 61.43 C ATOM 1682 C PHE A 113 20.304 4.064 -32.554 1.00 43.11 C ATOM 1683 O PHE A 113 21.304 4.493 -31.979 1.00 11.30 O ATOM 1684 CB PHE A 113 18.826 4.553 -30.594 1.00 14.33 C ATOM 1685 CG PHE A 113 17.461 4.399 -29.985 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.092 3.213 -29.371 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.548 5.440 -30.028 1.00 14.45 C ATOM 1688 CE1 PHE A 113 15.838 3.068 -28.809 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.292 5.301 -29.467 1.00 40.02 C ATOM 1690 CZ PHE A 113 14.936 4.113 -28.859 1.00 54.32 C ATOM 0 H PHE A 113 20.003 2.139 -30.569 1.00 22.12 H new ATOM 0 HA PHE A 113 18.219 3.605 -32.425 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.580 4.385 -29.825 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.947 5.580 -30.940 1.00 14.33 H new ATOM 0 HD1 PHE A 113 17.793 2.392 -29.331 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.820 6.370 -30.505 1.00 14.45 H new ATOM 0 HE1 PHE A 113 15.564 2.139 -28.331 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.590 6.121 -29.504 1.00 40.02 H new ATOM 0 HZ PHE A 113 13.954 4.001 -28.423 1.00 54.32 H new ATOM 1700 N THR A 114 20.212 3.975 -33.877 1.00 30.22 N ATOM 1701 CA THR A 114 21.306 4.384 -34.748 1.00 45.33 C ATOM 1702 C THR A 114 21.252 5.881 -35.033 1.00 52.03 C ATOM 1703 O THR A 114 20.238 6.397 -35.505 1.00 43.22 O ATOM 1704 CB THR A 114 21.279 3.617 -36.082 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.590 2.237 -35.861 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.272 4.213 -37.070 1.00 73.44 C ATOM 0 H THR A 114 19.391 3.623 -34.369 1.00 30.22 H new ATOM 0 HA THR A 114 22.232 4.151 -34.223 1.00 45.33 H new ATOM 0 HB THR A 114 20.277 3.701 -36.502 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.569 1.756 -36.715 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.235 3.654 -38.005 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.016 5.255 -37.260 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.278 4.157 -36.654 1.00 73.44 H new ATOM 1714 N VAL A 115 22.349 6.574 -34.747 1.00 21.22 N ATOM 1715 CA VAL A 115 22.426 8.012 -34.975 1.00 72.13 C ATOM 1716 C VAL A 115 23.320 8.332 -36.167 1.00 32.00 C ATOM 1717 O VAL A 115 24.536 8.481 -36.042 1.00 71.13 O ATOM 1718 CB VAL A 115 22.962 8.750 -33.733 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.822 10.255 -33.904 1.00 32.02 C ATOM 1720 CG2 VAL A 115 22.240 8.278 -32.481 1.00 0.35 C ATOM 0 H VAL A 115 23.197 6.163 -34.357 1.00 21.22 H new ATOM 0 HA VAL A 115 21.412 8.354 -35.182 1.00 72.13 H new ATOM 0 HB VAL A 115 24.021 8.518 -33.623 1.00 34.51 H new ATOM 0 HG11 VAL A 115 23.206 10.759 -33.017 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.389 10.576 -34.778 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.771 10.510 -34.040 1.00 32.02 H new ATOM 0 HG21 VAL A 115 22.631 8.809 -31.613 1.00 0.35 H new ATOM 0 HG22 VAL A 115 21.173 8.478 -32.579 1.00 0.35 H new ATOM 0 HG23 VAL A 115 22.398 7.207 -32.352 1.00 0.35 H new ATOM 1730 N PRO A 116 22.705 8.442 -37.355 1.00 23.44 N ATOM 1731 CA PRO A 116 23.427 8.746 -38.595 1.00 12.20 C ATOM 1732 C PRO A 116 23.950 10.178 -38.623 1.00 62.14 C ATOM 1733 O PRO A 116 25.016 10.447 -39.177 1.00 15.32 O ATOM 1734 CB PRO A 116 22.367 8.543 -39.680 1.00 2.12 C ATOM 1735 CG PRO A 116 21.067 8.766 -38.987 1.00 24.01 C ATOM 1736 CD PRO A 116 21.259 8.277 -37.578 1.00 65.44 C ATOM 0 HA PRO A 116 24.309 8.118 -38.719 1.00 12.20 H new ATOM 0 HB2 PRO A 116 22.503 9.246 -40.502 1.00 2.12 H new ATOM 0 HB3 PRO A 116 22.422 7.541 -40.105 1.00 2.12 H new ATOM 0 HG2 PRO A 116 20.794 9.821 -39.000 1.00 24.01 H new ATOM 0 HG3 PRO A 116 20.262 8.222 -39.482 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.673 8.860 -36.867 1.00 65.44 H new ATOM 0 HD3 PRO A 116 20.951 7.237 -37.468 1.00 65.44 H new ATOM 1744 N ARG A 117 23.194 11.092 -38.024 1.00 4.04 N ATOM 1745 CA ARG A 117 23.582 12.497 -37.983 1.00 23.33 C ATOM 1746 C ARG A 117 24.843 12.688 -37.144 1.00 72.14 C ATOM 1747 O ARG A 117 25.042 12.004 -36.140 1.00 53.20 O ATOM 1748 CB ARG A 117 22.445 13.346 -37.412 1.00 24.40 C ATOM 1749 CG ARG A 117 21.336 13.629 -38.413 1.00 3.30 C ATOM 1750 CD ARG A 117 21.504 14.994 -39.060 1.00 34.14 C ATOM 1751 NE ARG A 117 21.928 14.890 -40.454 1.00 31.52 N ATOM 1752 CZ ARG A 117 21.873 15.899 -41.316 1.00 33.23 C ATOM 1753 NH1 ARG A 117 21.414 17.081 -40.929 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 22.277 15.726 -42.568 1.00 55.12 N ATOM 0 H ARG A 117 22.309 10.885 -37.560 1.00 4.04 H new ATOM 0 HA ARG A 117 23.791 12.820 -39.003 1.00 23.33 H new ATOM 0 HB2 ARG A 117 22.021 12.836 -36.547 1.00 24.40 H new ATOM 0 HB3 ARG A 117 22.852 14.292 -37.056 1.00 24.40 H new ATOM 0 HG2 ARG A 117 21.334 12.858 -39.183 1.00 3.30 H new ATOM 0 HG3 ARG A 117 20.370 13.580 -37.911 1.00 3.30 H new ATOM 0 HD2 ARG A 117 20.561 15.539 -39.007 1.00 34.14 H new ATOM 0 HD3 ARG A 117 22.238 15.573 -38.500 1.00 34.14 H new ATOM 0 HE ARG A 117 22.286 13.993 -40.783 1.00 31.52 H new ATOM 0 HH11 ARG A 117 21.102 17.217 -39.967 1.00 32.32 H new ATOM 0 HH12 ARG A 117 21.373 17.854 -41.593 1.00 32.32 H new ATOM 0 HH21 ARG A 117 22.630 14.818 -42.869 1.00 55.12 H new ATOM 0 HH22 ARG A 117 22.234 16.501 -43.229 1.00 55.12 H new