USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 832 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 86 LYS NZ :NH3+ 179:sc= 0.0982 (180deg=0.0785) USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.0177 USER MOD Set 2.1: A 44 HIS : no HD1:sc= -2.09 K(o=-2.3,f=-4.8!) USER MOD Set 2.2: A 60 MET CE :methyl -171:sc= -0.239 (180deg=-0.659) USER MOD Set 3.1: A 25 SER OG : rot 180:sc= -0.515 USER MOD Set 3.2: A 28 GLN : amide:sc= -0.0228 K(o=-0.54,f=-1.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.904 F(o=-1.7,f=-0.9) USER MOD Single : A 53 CYS SG : rot -98:sc= -0.899! USER MOD Single : A 55 GLN :FLIP amide:sc= -0.578! C(o=-4.9!,f=-0.58!) USER MOD Single : A 56 MET CE :methyl 148:sc= -1.58 (180deg=-4.78!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.9 K(o=-1.9,f=-14!) USER MOD Single : A 71 SER OG : rot -108:sc= -0.843 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 77:sc= 0.216 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 103:sc= 1.11 USER MOD Single : A 99 LYS NZ :NH3+ 143:sc= 0.0359 (180deg=-0.0804) USER MOD Single : A 100 ASN : amide:sc= -0.285 K(o=-0.29,f=-4.9!) USER MOD Single : A 101 SER OG : rot 4:sc= 0.116 USER MOD Single : A 102 GLN : amide:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -1.47 F(o=-2.4!,f=-1.5) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.104) USER MOD Single : A 120 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.82) USER MOD Single : A 122 HIS : no HE2:sc= -2.57 K(o=-2.6,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.329 2.420 -9.077 1.00 0.00 N ATOM 202 CA VAL A 20 -2.599 2.530 -8.369 1.00 0.00 C ATOM 203 C VAL A 20 -3.739 2.847 -9.330 1.00 0.00 C ATOM 204 O VAL A 20 -3.687 3.831 -10.067 1.00 0.00 O ATOM 205 CB VAL A 20 -2.542 3.620 -7.281 1.00 0.00 C ATOM 206 CG1 VAL A 20 -3.851 3.671 -6.508 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.369 3.377 -6.345 1.00 0.00 C ATOM 0 HA VAL A 20 -2.783 1.565 -7.898 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.396 4.586 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.792 4.446 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.669 3.897 -7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.031 2.707 -6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.344 4.156 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.481 2.404 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.439 3.396 -6.914 1.00 0.00 H new ATOM 217 N GLU A 21 -4.768 2.005 -9.317 1.00 0.00 N ATOM 218 CA GLU A 21 -5.921 2.195 -10.190 1.00 0.00 C ATOM 219 C GLU A 21 -6.874 3.237 -9.611 1.00 0.00 C ATOM 220 O GLU A 21 -7.093 3.289 -8.402 1.00 0.00 O ATOM 221 CB GLU A 21 -6.658 0.870 -10.394 1.00 0.00 C ATOM 222 CG GLU A 21 -6.102 0.033 -11.533 1.00 0.00 C ATOM 223 CD GLU A 21 -6.741 0.365 -12.867 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.985 0.460 -12.921 1.00 0.00 O ATOM 225 OE2 GLU A 21 -5.998 0.529 -13.857 1.00 0.00 O ATOM 0 H GLU A 21 -4.827 1.186 -8.712 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.560 2.553 -11.154 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.609 0.291 -9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.711 1.076 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.025 0.189 -11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.258 -1.023 -11.313 1.00 0.00 H new ATOM 232 N GLU A 22 -7.437 4.065 -10.486 1.00 0.00 N ATOM 233 CA GLU A 22 -8.366 5.107 -10.062 1.00 0.00 C ATOM 234 C GLU A 22 -9.811 4.635 -10.198 1.00 0.00 C ATOM 235 O GLU A 22 -10.322 4.479 -11.307 1.00 0.00 O ATOM 236 CB GLU A 22 -8.152 6.378 -10.886 1.00 0.00 C ATOM 237 CG GLU A 22 -8.904 7.585 -10.350 1.00 0.00 C ATOM 238 CD GLU A 22 -8.587 8.856 -11.113 1.00 0.00 C ATOM 239 OE1 GLU A 22 -7.549 9.483 -10.814 1.00 0.00 O ATOM 240 OE2 GLU A 22 -9.376 9.224 -12.008 1.00 0.00 O ATOM 0 H GLU A 22 -7.266 4.035 -11.491 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.172 5.327 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.087 6.607 -10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.465 6.192 -11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.976 7.393 -10.401 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.655 7.726 -9.298 1.00 0.00 H new ATOM 247 N VAL A 23 -10.463 4.410 -9.062 1.00 0.00 N ATOM 248 CA VAL A 23 -11.849 3.958 -9.053 1.00 0.00 C ATOM 249 C VAL A 23 -12.813 5.139 -9.036 1.00 0.00 C ATOM 250 O VAL A 23 -12.761 5.983 -8.143 1.00 0.00 O ATOM 251 CB VAL A 23 -12.137 3.056 -7.838 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.571 2.549 -7.877 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.154 1.896 -7.791 1.00 0.00 C ATOM 0 H VAL A 23 -10.054 4.533 -8.136 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.000 3.383 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.010 3.647 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.756 1.914 -7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.257 3.396 -7.859 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.729 1.974 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.372 1.269 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.246 1.304 -8.701 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.138 2.283 -7.712 1.00 0.00 H new ATOM 263 N GLY A 24 -13.694 5.191 -10.030 1.00 0.00 N ATOM 264 CA GLY A 24 -14.658 6.273 -10.111 1.00 0.00 C ATOM 265 C GLY A 24 -16.076 5.772 -10.302 1.00 0.00 C ATOM 266 O GLY A 24 -16.907 6.455 -10.900 1.00 0.00 O ATOM 0 H GLY A 24 -13.758 4.503 -10.781 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.606 6.871 -9.201 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.393 6.930 -10.939 1.00 0.00 H new ATOM 270 N SER A 25 -16.353 4.575 -9.795 1.00 0.00 N ATOM 271 CA SER A 25 -17.679 3.981 -9.918 1.00 0.00 C ATOM 272 C SER A 25 -17.850 2.825 -8.937 1.00 0.00 C ATOM 273 O SER A 25 -16.986 1.955 -8.831 1.00 0.00 O ATOM 274 CB SER A 25 -17.911 3.490 -11.348 1.00 0.00 C ATOM 275 OG SER A 25 -16.825 2.698 -11.797 1.00 0.00 O ATOM 0 H SER A 25 -15.677 3.998 -9.295 1.00 0.00 H new ATOM 0 HA SER A 25 -18.416 4.748 -9.681 1.00 0.00 H new ATOM 0 HB2 SER A 25 -18.832 2.908 -11.391 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.042 4.344 -12.013 1.00 0.00 H new ATOM 0 HG SER A 25 -16.998 2.395 -12.713 1.00 0.00 H new ATOM 281 N ALA A 26 -18.970 2.823 -8.223 1.00 0.00 N ATOM 282 CA ALA A 26 -19.256 1.773 -7.253 1.00 0.00 C ATOM 283 C ALA A 26 -19.035 0.391 -7.858 1.00 0.00 C ATOM 284 O ALA A 26 -18.301 -0.429 -7.307 1.00 0.00 O ATOM 285 CB ALA A 26 -20.682 1.904 -6.738 1.00 0.00 C ATOM 0 H ALA A 26 -19.695 3.537 -8.298 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.567 1.889 -6.416 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.882 1.113 -6.015 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.808 2.875 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.379 1.818 -7.571 1.00 0.00 H new ATOM 291 N GLY A 27 -19.676 0.139 -8.996 1.00 0.00 N ATOM 292 CA GLY A 27 -19.537 -1.146 -9.656 1.00 0.00 C ATOM 293 C GLY A 27 -18.087 -1.554 -9.830 1.00 0.00 C ATOM 294 O GLY A 27 -17.724 -2.701 -9.569 1.00 0.00 O ATOM 0 H GLY A 27 -20.288 0.801 -9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.058 -1.907 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.019 -1.104 -10.633 1.00 0.00 H new ATOM 298 N GLN A 28 -17.259 -0.615 -10.275 1.00 0.00 N ATOM 299 CA GLN A 28 -15.841 -0.885 -10.486 1.00 0.00 C ATOM 300 C GLN A 28 -15.205 -1.469 -9.228 1.00 0.00 C ATOM 301 O GLN A 28 -14.507 -2.481 -9.287 1.00 0.00 O ATOM 302 CB GLN A 28 -15.112 0.396 -10.892 1.00 0.00 C ATOM 303 CG GLN A 28 -13.608 0.221 -11.035 1.00 0.00 C ATOM 304 CD GLN A 28 -12.985 1.254 -11.953 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.628 2.232 -12.334 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.725 1.041 -12.314 1.00 0.00 N ATOM 0 H GLN A 28 -17.545 0.339 -10.496 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.752 -1.616 -11.289 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.520 0.752 -11.838 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.311 1.168 -10.149 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.143 0.287 -10.051 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.397 -0.776 -11.421 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.230 0.217 -11.974 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.253 1.702 -12.931 1.00 0.00 H new ATOM 315 N PHE A 29 -15.451 -0.824 -8.093 1.00 0.00 N ATOM 316 CA PHE A 29 -14.901 -1.279 -6.821 1.00 0.00 C ATOM 317 C PHE A 29 -15.490 -2.631 -6.426 1.00 0.00 C ATOM 318 O PHE A 29 -14.769 -3.621 -6.306 1.00 0.00 O ATOM 319 CB PHE A 29 -15.179 -0.249 -5.724 1.00 0.00 C ATOM 320 CG PHE A 29 -14.698 -0.676 -4.366 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.379 -1.054 -4.171 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.564 -0.699 -3.285 1.00 0.00 C ATOM 323 CE1 PHE A 29 -12.933 -1.446 -2.923 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.124 -1.090 -2.035 1.00 0.00 C ATOM 325 CZ PHE A 29 -13.807 -1.465 -1.854 1.00 0.00 C ATOM 0 H PHE A 29 -16.027 0.015 -8.028 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.823 -1.392 -6.939 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.700 0.693 -5.991 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.251 -0.059 -5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.692 -1.042 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.595 -0.408 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.902 -1.737 -2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -15.809 -1.102 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 29 -13.461 -1.773 -0.878 1.00 0.00 H new ATOM 335 N GLU A 30 -16.804 -2.662 -6.226 1.00 0.00 N ATOM 336 CA GLU A 30 -17.489 -3.891 -5.844 1.00 0.00 C ATOM 337 C GLU A 30 -17.107 -5.038 -6.774 1.00 0.00 C ATOM 338 O GLU A 30 -17.012 -6.189 -6.349 1.00 0.00 O ATOM 339 CB GLU A 30 -19.005 -3.684 -5.866 1.00 0.00 C ATOM 340 CG GLU A 30 -19.531 -2.911 -4.668 1.00 0.00 C ATOM 341 CD GLU A 30 -21.001 -3.173 -4.405 1.00 0.00 C ATOM 342 OE1 GLU A 30 -21.430 -4.338 -4.545 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.723 -2.215 -4.060 1.00 0.00 O ATOM 0 H GLU A 30 -17.415 -1.851 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.180 -4.150 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.278 -3.153 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.496 -4.657 -5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.954 -3.181 -3.784 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.380 -1.844 -4.834 1.00 0.00 H new ATOM 350 N GLU A 31 -16.892 -4.715 -8.045 1.00 0.00 N ATOM 351 CA GLU A 31 -16.522 -5.719 -9.036 1.00 0.00 C ATOM 352 C GLU A 31 -15.117 -6.252 -8.773 1.00 0.00 C ATOM 353 O GLU A 31 -14.880 -7.460 -8.817 1.00 0.00 O ATOM 354 CB GLU A 31 -16.600 -5.129 -10.446 1.00 0.00 C ATOM 355 CG GLU A 31 -16.245 -6.121 -11.541 1.00 0.00 C ATOM 356 CD GLU A 31 -16.509 -5.575 -12.931 1.00 0.00 C ATOM 357 OE1 GLU A 31 -15.953 -4.508 -13.265 1.00 0.00 O ATOM 358 OE2 GLU A 31 -17.272 -6.215 -13.684 1.00 0.00 O ATOM 0 H GLU A 31 -16.968 -3.767 -8.413 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.226 -6.547 -8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.609 -4.755 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.928 -4.273 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.192 -6.391 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.821 -7.035 -11.398 1.00 0.00 H new ATOM 365 N LEU A 32 -14.187 -5.343 -8.500 1.00 0.00 N ATOM 366 CA LEU A 32 -12.804 -5.720 -8.229 1.00 0.00 C ATOM 367 C LEU A 32 -12.718 -6.639 -7.015 1.00 0.00 C ATOM 368 O LEU A 32 -12.072 -7.687 -7.060 1.00 0.00 O ATOM 369 CB LEU A 32 -11.950 -4.472 -8.001 1.00 0.00 C ATOM 370 CG LEU A 32 -10.477 -4.586 -8.394 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.288 -4.246 -9.864 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.620 -3.681 -7.521 1.00 0.00 C ATOM 0 H LEU A 32 -14.366 -4.340 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.423 -6.259 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.392 -3.647 -8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.004 -4.207 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.158 -5.617 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.233 -4.333 -10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.871 -4.936 -10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.624 -3.226 -10.048 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.575 -3.775 -7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.940 -2.646 -7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.731 -3.972 -6.476 1.00 0.00 H new ATOM 384 N LEU A 33 -13.374 -6.241 -5.931 1.00 0.00 N ATOM 385 CA LEU A 33 -13.374 -7.030 -4.703 1.00 0.00 C ATOM 386 C LEU A 33 -13.373 -8.523 -5.015 1.00 0.00 C ATOM 387 O LEU A 33 -12.676 -9.302 -4.366 1.00 0.00 O ATOM 388 CB LEU A 33 -14.591 -6.676 -3.847 1.00 0.00 C ATOM 389 CG LEU A 33 -14.403 -5.528 -2.854 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.748 -5.047 -2.333 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.506 -5.960 -1.703 1.00 0.00 C ATOM 0 H LEU A 33 -13.913 -5.377 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.466 -6.794 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.417 -6.423 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.890 -7.565 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.921 -4.700 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.594 -4.230 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.357 -4.697 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.259 -5.869 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.383 -5.131 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.960 -6.805 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.531 -6.254 -2.092 1.00 0.00 H new ATOM 403 N ARG A 34 -14.157 -8.913 -6.015 1.00 0.00 N ATOM 404 CA ARG A 34 -14.247 -10.313 -6.414 1.00 0.00 C ATOM 405 C ARG A 34 -12.992 -10.744 -7.167 1.00 0.00 C ATOM 406 O ARG A 34 -12.325 -11.706 -6.784 1.00 0.00 O ATOM 407 CB ARG A 34 -15.482 -10.538 -7.288 1.00 0.00 C ATOM 408 CG ARG A 34 -16.778 -10.631 -6.498 1.00 0.00 C ATOM 409 CD ARG A 34 -17.985 -10.331 -7.373 1.00 0.00 C ATOM 410 NE ARG A 34 -19.089 -9.760 -6.605 1.00 0.00 N ATOM 411 CZ ARG A 34 -20.065 -9.040 -7.146 1.00 0.00 C ATOM 412 NH1 ARG A 34 -20.075 -8.804 -8.451 1.00 0.00 N ATOM 413 NH2 ARG A 34 -21.035 -8.554 -6.381 1.00 0.00 N ATOM 0 H ARG A 34 -14.739 -8.280 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.335 -10.918 -5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.562 -9.722 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.349 -11.456 -7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.875 -11.630 -6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.748 -9.930 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.697 -9.638 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.318 -11.248 -7.859 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.111 -9.923 -5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.332 -9.176 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.826 -8.251 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.031 -8.733 -5.377 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.784 -8.001 -6.797 1.00 0.00 H new ATOM 427 N LEU A 35 -12.677 -10.027 -8.240 1.00 0.00 N ATOM 428 CA LEU A 35 -11.502 -10.336 -9.049 1.00 0.00 C ATOM 429 C LEU A 35 -10.251 -10.426 -8.180 1.00 0.00 C ATOM 430 O LEU A 35 -9.556 -11.441 -8.177 1.00 0.00 O ATOM 431 CB LEU A 35 -11.310 -9.272 -10.131 1.00 0.00 C ATOM 432 CG LEU A 35 -12.452 -9.123 -11.136 1.00 0.00 C ATOM 433 CD1 LEU A 35 -12.420 -7.746 -11.780 1.00 0.00 C ATOM 434 CD2 LEU A 35 -12.374 -10.212 -12.197 1.00 0.00 C ATOM 0 H LEU A 35 -13.218 -9.228 -8.570 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.662 -11.304 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.155 -8.310 -9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.397 -9.502 -10.680 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.396 -9.230 -10.602 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.240 -7.658 -12.492 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.525 -6.982 -11.010 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.472 -7.609 -12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.195 -10.091 -12.904 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.424 -10.137 -12.727 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.447 -11.190 -11.721 1.00 0.00 H new ATOM 446 N LYS A 36 -9.972 -9.357 -7.442 1.00 0.00 N ATOM 447 CA LYS A 36 -8.808 -9.315 -6.565 1.00 0.00 C ATOM 448 C LYS A 36 -9.143 -9.880 -5.188 1.00 0.00 C ATOM 449 O LYS A 36 -8.679 -9.371 -4.168 1.00 0.00 O ATOM 450 CB LYS A 36 -8.299 -7.878 -6.428 1.00 0.00 C ATOM 451 CG LYS A 36 -7.941 -7.230 -7.755 1.00 0.00 C ATOM 452 CD LYS A 36 -6.694 -7.852 -8.360 1.00 0.00 C ATOM 453 CE LYS A 36 -6.388 -7.266 -9.730 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.223 -7.935 -10.372 1.00 0.00 N ATOM 0 H LYS A 36 -10.537 -8.508 -7.434 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.026 -9.930 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.062 -7.277 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.421 -7.872 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.775 -7.335 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.781 -6.162 -7.608 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.846 -7.689 -7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.829 -8.930 -8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.263 -7.366 -10.372 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.186 -6.199 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.047 -7.507 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.381 -7.818 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.426 -8.948 -10.489 1.00 0.00 H new ATOM 468 N ALA A 37 -9.949 -10.936 -5.167 1.00 0.00 N ATOM 469 CA ALA A 37 -10.342 -11.572 -3.916 1.00 0.00 C ATOM 470 C ALA A 37 -9.185 -12.362 -3.315 1.00 0.00 C ATOM 471 O ALA A 37 -8.925 -12.285 -2.114 1.00 0.00 O ATOM 472 CB ALA A 37 -11.544 -12.479 -4.140 1.00 0.00 C ATOM 0 H ALA A 37 -10.343 -11.369 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.618 -10.789 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.827 -12.948 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.380 -11.889 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.287 -13.250 -4.866 1.00 0.00 H new ATOM 478 N LYS A 38 -8.494 -13.123 -4.156 1.00 0.00 N ATOM 479 CA LYS A 38 -7.364 -13.928 -3.709 1.00 0.00 C ATOM 480 C LYS A 38 -6.241 -13.043 -3.178 1.00 0.00 C ATOM 481 O LYS A 38 -5.652 -13.329 -2.136 1.00 0.00 O ATOM 482 CB LYS A 38 -6.843 -14.797 -4.857 1.00 0.00 C ATOM 483 CG LYS A 38 -7.706 -16.015 -5.137 1.00 0.00 C ATOM 484 CD LYS A 38 -7.608 -17.037 -4.017 1.00 0.00 C ATOM 485 CE LYS A 38 -8.454 -18.267 -4.309 1.00 0.00 C ATOM 486 NZ LYS A 38 -7.699 -19.286 -5.091 1.00 0.00 N ATOM 0 H LYS A 38 -8.697 -13.199 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.708 -14.573 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.780 -14.191 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.830 -15.126 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.744 -15.706 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.397 -16.473 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.568 -17.333 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.933 -16.584 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.792 -18.706 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.346 -17.972 -4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.310 -20.109 -5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.398 -18.875 -5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.862 -19.587 -4.552 1.00 0.00 H new ATOM 500 N SER A 39 -5.951 -11.965 -3.901 1.00 0.00 N ATOM 501 CA SER A 39 -4.898 -11.039 -3.503 1.00 0.00 C ATOM 502 C SER A 39 -5.430 -10.000 -2.520 1.00 0.00 C ATOM 503 O SER A 39 -6.618 -9.676 -2.524 1.00 0.00 O ATOM 504 CB SER A 39 -4.313 -10.341 -4.733 1.00 0.00 C ATOM 505 OG SER A 39 -3.639 -11.264 -5.571 1.00 0.00 O ATOM 0 H SER A 39 -6.431 -11.712 -4.765 1.00 0.00 H new ATOM 0 HA SER A 39 -4.112 -11.611 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.111 -9.853 -5.292 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.622 -9.560 -4.417 1.00 0.00 H new ATOM 0 HG SER A 39 -3.276 -10.794 -6.350 1.00 0.00 H new ATOM 511 N LEU A 40 -4.542 -9.483 -1.679 1.00 0.00 N ATOM 512 CA LEU A 40 -4.920 -8.480 -0.689 1.00 0.00 C ATOM 513 C LEU A 40 -5.220 -7.142 -1.356 1.00 0.00 C ATOM 514 O LEU A 40 -4.371 -6.577 -2.048 1.00 0.00 O ATOM 515 CB LEU A 40 -3.806 -8.310 0.345 1.00 0.00 C ATOM 516 CG LEU A 40 -3.813 -6.997 1.129 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.869 -7.034 2.223 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.439 -6.723 1.722 1.00 0.00 C ATOM 0 H LEU A 40 -3.555 -9.741 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.824 -8.824 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.868 -9.134 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.847 -8.400 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.059 -6.187 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.859 -6.091 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.852 -7.184 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.654 -7.854 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.462 -5.785 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.165 -7.535 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.704 -6.652 0.920 1.00 0.00 H new ATOM 530 N LEU A 41 -6.430 -6.638 -1.142 1.00 0.00 N ATOM 531 CA LEU A 41 -6.841 -5.363 -1.721 1.00 0.00 C ATOM 532 C LEU A 41 -6.674 -4.229 -0.715 1.00 0.00 C ATOM 533 O LEU A 41 -7.126 -4.325 0.426 1.00 0.00 O ATOM 534 CB LEU A 41 -8.297 -5.438 -2.185 1.00 0.00 C ATOM 535 CG LEU A 41 -8.758 -4.328 -3.131 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.400 -4.670 -4.569 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.255 -4.097 -2.993 1.00 0.00 C ATOM 0 H LEU A 41 -7.144 -7.092 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.202 -5.159 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.451 -6.397 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.939 -5.427 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.242 -3.407 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.736 -3.869 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.320 -4.784 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.888 -5.602 -4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.565 -3.304 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.789 -5.015 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.485 -3.806 -1.968 1.00 0.00 H new ATOM 549 N VAL A 42 -6.023 -3.153 -1.147 1.00 0.00 N ATOM 550 CA VAL A 42 -5.798 -1.999 -0.286 1.00 0.00 C ATOM 551 C VAL A 42 -6.457 -0.749 -0.859 1.00 0.00 C ATOM 552 O VAL A 42 -5.946 -0.141 -1.799 1.00 0.00 O ATOM 553 CB VAL A 42 -4.295 -1.729 -0.089 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.080 -0.433 0.677 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.634 -2.897 0.627 1.00 0.00 C ATOM 0 H VAL A 42 -5.642 -3.057 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.247 -2.233 0.680 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.831 -1.624 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.012 -0.260 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.517 0.396 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.557 -0.505 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.572 -2.690 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.100 -3.036 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.756 -3.803 0.034 1.00 0.00 H new ATOM 565 N VAL A 43 -7.595 -0.370 -0.286 1.00 0.00 N ATOM 566 CA VAL A 43 -8.324 0.808 -0.738 1.00 0.00 C ATOM 567 C VAL A 43 -7.728 2.082 -0.150 1.00 0.00 C ATOM 568 O VAL A 43 -7.131 2.062 0.927 1.00 0.00 O ATOM 569 CB VAL A 43 -9.814 0.728 -0.357 1.00 0.00 C ATOM 570 CG1 VAL A 43 -10.522 2.032 -0.691 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.480 -0.446 -1.058 1.00 0.00 C ATOM 0 H VAL A 43 -8.032 -0.863 0.493 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.236 0.836 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.888 0.569 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.574 1.956 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.059 2.849 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.441 2.226 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.532 -0.488 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.397 -0.320 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.989 -1.373 -0.762 1.00 0.00 H new ATOM 581 N HIS A 44 -7.895 3.192 -0.864 1.00 0.00 N ATOM 582 CA HIS A 44 -7.374 4.477 -0.412 1.00 0.00 C ATOM 583 C HIS A 44 -8.337 5.607 -0.763 1.00 0.00 C ATOM 584 O HIS A 44 -8.661 5.819 -1.932 1.00 0.00 O ATOM 585 CB HIS A 44 -6.005 4.745 -1.037 1.00 0.00 C ATOM 586 CG HIS A 44 -5.598 6.186 -0.993 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.022 6.838 -2.062 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.687 7.100 0.001 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.774 8.092 -1.728 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.168 8.277 -0.481 1.00 0.00 N ATOM 0 H HIS A 44 -8.387 3.227 -1.757 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.268 4.437 0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.255 4.148 -0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -6.017 4.411 -2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.091 6.935 0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.325 8.839 -2.366 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.098 9.151 0.039 1.00 0.00 H new ATOM 599 N PHE A 45 -8.791 6.329 0.256 1.00 0.00 N ATOM 600 CA PHE A 45 -9.719 7.436 0.055 1.00 0.00 C ATOM 601 C PHE A 45 -8.965 8.751 -0.121 1.00 0.00 C ATOM 602 O PHE A 45 -8.163 9.138 0.728 1.00 0.00 O ATOM 603 CB PHE A 45 -10.683 7.543 1.238 1.00 0.00 C ATOM 604 CG PHE A 45 -11.880 6.643 1.118 1.00 0.00 C ATOM 605 CD1 PHE A 45 -13.005 7.055 0.421 1.00 0.00 C ATOM 606 CD2 PHE A 45 -11.881 5.387 1.702 1.00 0.00 C ATOM 607 CE1 PHE A 45 -14.108 6.229 0.310 1.00 0.00 C ATOM 608 CE2 PHE A 45 -12.981 4.557 1.594 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.096 4.979 0.896 1.00 0.00 C ATOM 0 H PHE A 45 -8.532 6.168 1.229 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.290 7.239 -0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.147 7.302 2.156 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.022 8.575 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -13.020 8.031 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -11.012 5.052 2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.979 6.562 -0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -12.969 3.580 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.957 4.332 0.809 1.00 0.00 H new ATOM 619 N TRP A 46 -9.230 9.433 -1.230 1.00 0.00 N ATOM 620 CA TRP A 46 -8.577 10.705 -1.518 1.00 0.00 C ATOM 621 C TRP A 46 -9.606 11.806 -1.746 1.00 0.00 C ATOM 622 O TRP A 46 -10.607 11.601 -2.432 1.00 0.00 O ATOM 623 CB TRP A 46 -7.675 10.571 -2.746 1.00 0.00 C ATOM 624 CG TRP A 46 -8.435 10.444 -4.031 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.833 9.287 -4.637 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.888 11.514 -4.869 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.506 9.572 -5.801 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.553 10.931 -5.965 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.797 12.906 -4.798 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -10.123 11.695 -6.981 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -9.362 13.663 -5.808 1.00 0.00 C ATOM 632 CH2 TRP A 46 -10.019 13.056 -6.887 1.00 0.00 C ATOM 0 H TRP A 46 -9.892 9.127 -1.943 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.968 10.976 -0.656 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -7.021 11.441 -2.804 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.034 9.698 -2.624 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.646 8.293 -4.257 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.905 8.884 -6.439 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -8.294 13.383 -3.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.629 11.229 -7.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -9.296 14.740 -5.765 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.452 13.675 -7.659 1.00 0.00 H new ATOM 643 N ALA A 47 -9.354 12.976 -1.167 1.00 0.00 N ATOM 644 CA ALA A 47 -10.259 14.110 -1.309 1.00 0.00 C ATOM 645 C ALA A 47 -9.600 15.242 -2.089 1.00 0.00 C ATOM 646 O ALA A 47 -8.411 15.524 -1.937 1.00 0.00 O ATOM 647 CB ALA A 47 -10.709 14.601 0.059 1.00 0.00 C ATOM 0 H ALA A 47 -8.530 13.163 -0.595 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.133 13.778 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.384 15.448 -0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.226 13.797 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.839 14.911 0.639 1.00 0.00 H new ATOM 653 N PRO A 48 -10.388 15.908 -2.946 1.00 0.00 N ATOM 654 CA PRO A 48 -9.903 17.021 -3.768 1.00 0.00 C ATOM 655 C PRO A 48 -9.592 18.262 -2.938 1.00 0.00 C ATOM 656 O PRO A 48 -9.172 19.288 -3.472 1.00 0.00 O ATOM 657 CB PRO A 48 -11.069 17.294 -4.721 1.00 0.00 C ATOM 658 CG PRO A 48 -12.274 16.802 -3.996 1.00 0.00 C ATOM 659 CD PRO A 48 -11.815 15.626 -3.179 1.00 0.00 C ATOM 0 HA PRO A 48 -8.969 16.776 -4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.152 18.356 -4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.936 16.772 -5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.691 17.581 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.058 16.509 -4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.367 15.547 -2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.957 14.686 -3.713 1.00 0.00 H new ATOM 667 N TRP A 49 -9.800 18.160 -1.630 1.00 0.00 N ATOM 668 CA TRP A 49 -9.541 19.275 -0.726 1.00 0.00 C ATOM 669 C TRP A 49 -8.447 18.921 0.275 1.00 0.00 C ATOM 670 O TRP A 49 -7.586 19.744 0.583 1.00 0.00 O ATOM 671 CB TRP A 49 -10.821 19.666 0.015 1.00 0.00 C ATOM 672 CG TRP A 49 -11.647 18.488 0.436 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.621 17.867 -0.293 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.572 17.791 1.684 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.156 16.826 0.427 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.529 16.758 1.643 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.788 17.937 2.832 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.721 15.880 2.706 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -10.981 17.065 3.886 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.940 16.046 3.817 1.00 0.00 C ATOM 0 H TRP A 49 -10.147 17.317 -1.172 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.202 20.122 -1.322 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.558 20.250 0.897 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.421 20.311 -0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.926 18.152 -1.289 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.899 16.205 0.108 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.044 18.718 2.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.461 15.095 2.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.382 17.171 4.779 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.065 15.379 4.657 1.00 0.00 H new ATOM 691 N ALA A 50 -8.488 17.692 0.780 1.00 0.00 N ATOM 692 CA ALA A 50 -7.499 17.230 1.745 1.00 0.00 C ATOM 693 C ALA A 50 -6.156 16.966 1.072 1.00 0.00 C ATOM 694 O ALA A 50 -6.053 16.190 0.122 1.00 0.00 O ATOM 695 CB ALA A 50 -7.994 15.974 2.449 1.00 0.00 C ATOM 0 H ALA A 50 -9.196 16.999 0.536 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.356 18.017 2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.245 15.640 3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.925 16.193 2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.167 15.189 1.713 1.00 0.00 H new ATOM 701 N PRO A 51 -5.102 17.627 1.572 1.00 0.00 N ATOM 702 CA PRO A 51 -3.747 17.480 1.034 1.00 0.00 C ATOM 703 C PRO A 51 -3.151 16.108 1.329 1.00 0.00 C ATOM 704 O PRO A 51 -2.503 15.506 0.473 1.00 0.00 O ATOM 705 CB PRO A 51 -2.957 18.574 1.757 1.00 0.00 C ATOM 706 CG PRO A 51 -3.702 18.802 3.027 1.00 0.00 C ATOM 707 CD PRO A 51 -5.152 18.569 2.704 1.00 0.00 C ATOM 0 HA PRO A 51 -3.728 17.569 -0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.931 18.260 1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.904 19.484 1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.362 18.121 3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.542 19.815 3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.690 18.148 3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.658 19.496 2.433 1.00 0.00 H new ATOM 715 N GLN A 52 -3.374 15.621 2.545 1.00 0.00 N ATOM 716 CA GLN A 52 -2.859 14.319 2.952 1.00 0.00 C ATOM 717 C GLN A 52 -2.917 13.325 1.797 1.00 0.00 C ATOM 718 O GLN A 52 -1.982 12.552 1.583 1.00 0.00 O ATOM 719 CB GLN A 52 -3.654 13.782 4.144 1.00 0.00 C ATOM 720 CG GLN A 52 -3.366 14.511 5.446 1.00 0.00 C ATOM 721 CD GLN A 52 -4.486 14.366 6.457 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.129 14.053 7.696 1.00 0.00 O flip ATOM 723 NE2 GLN A 52 -5.661 14.533 6.127 1.00 0.00 N flip ATOM 0 H GLN A 52 -3.907 16.108 3.265 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.817 14.445 3.247 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.719 13.857 3.923 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.429 12.723 4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.441 14.126 5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.205 15.569 5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.891 14.773 5.163 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.404 14.431 6.818 1.00 0.00 H new ATOM 732 N CYS A 53 -4.019 13.349 1.057 1.00 0.00 N ATOM 733 CA CYS A 53 -4.200 12.449 -0.076 1.00 0.00 C ATOM 734 C CYS A 53 -2.879 12.219 -0.803 1.00 0.00 C ATOM 735 O CYS A 53 -2.524 11.084 -1.122 1.00 0.00 O ATOM 736 CB CYS A 53 -5.237 13.017 -1.045 1.00 0.00 C ATOM 737 SG CYS A 53 -4.610 14.341 -2.105 1.00 0.00 S ATOM 0 H CYS A 53 -4.801 13.982 1.221 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.556 11.492 0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.612 12.209 -1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.084 13.395 -0.473 1.00 0.00 H new ATOM 0 HG CYS A 53 -4.935 15.493 -1.598 1.00 0.00 H new ATOM 743 N ALA A 54 -2.156 13.303 -1.063 1.00 0.00 N ATOM 744 CA ALA A 54 -0.874 13.219 -1.752 1.00 0.00 C ATOM 745 C ALA A 54 0.136 12.419 -0.937 1.00 0.00 C ATOM 746 O ALA A 54 0.577 11.349 -1.357 1.00 0.00 O ATOM 747 CB ALA A 54 -0.337 14.613 -2.040 1.00 0.00 C ATOM 0 H ALA A 54 -2.436 14.250 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.031 12.700 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.621 14.535 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.044 15.153 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.202 15.152 -1.102 1.00 0.00 H new ATOM 753 N GLN A 55 0.499 12.945 0.228 1.00 0.00 N ATOM 754 CA GLN A 55 1.459 12.279 1.101 1.00 0.00 C ATOM 755 C GLN A 55 1.297 10.764 1.033 1.00 0.00 C ATOM 756 O GLN A 55 2.280 10.024 1.051 1.00 0.00 O ATOM 757 CB GLN A 55 1.286 12.758 2.543 1.00 0.00 C ATOM 758 CG GLN A 55 1.840 14.152 2.792 1.00 0.00 C ATOM 759 CD GLN A 55 1.529 15.113 1.661 1.00 0.00 C ATOM 760 OE1 GLN A 55 0.247 15.387 1.452 1.00 0.00 O flip ATOM 761 NE2 GLN A 55 2.432 15.604 0.983 1.00 0.00 N flip ATOM 0 H GLN A 55 0.143 13.830 0.589 1.00 0.00 H new ATOM 0 HA GLN A 55 2.462 12.534 0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.226 12.747 2.796 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.781 12.054 3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.425 14.543 3.721 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.920 14.091 2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.404 15.365 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.208 16.249 0.226 1.00 0.00 H new ATOM 770 N MET A 56 0.050 10.310 0.954 1.00 0.00 N ATOM 771 CA MET A 56 -0.240 8.883 0.882 1.00 0.00 C ATOM 772 C MET A 56 -0.019 8.354 -0.531 1.00 0.00 C ATOM 773 O MET A 56 0.602 7.309 -0.723 1.00 0.00 O ATOM 774 CB MET A 56 -1.680 8.610 1.322 1.00 0.00 C ATOM 775 CG MET A 56 -2.092 9.385 2.563 1.00 0.00 C ATOM 776 SD MET A 56 -1.618 8.553 4.091 1.00 0.00 S ATOM 777 CE MET A 56 0.158 8.781 4.063 1.00 0.00 C ATOM 0 H MET A 56 -0.775 10.910 0.938 1.00 0.00 H new ATOM 0 HA MET A 56 0.442 8.365 1.556 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.355 8.863 0.505 1.00 0.00 H new ATOM 0 HB3 MET A 56 -1.797 7.543 1.514 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.636 10.375 2.536 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.172 9.531 2.553 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.530 8.865 5.084 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.627 7.927 3.575 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.399 9.691 3.513 1.00 0.00 H new ATOM 787 N ASN A 57 -0.532 9.082 -1.518 1.00 0.00 N ATOM 788 CA ASN A 57 -0.392 8.684 -2.914 1.00 0.00 C ATOM 789 C ASN A 57 1.038 8.243 -3.213 1.00 0.00 C ATOM 790 O ASN A 57 1.263 7.159 -3.750 1.00 0.00 O ATOM 791 CB ASN A 57 -0.784 9.840 -3.837 1.00 0.00 C ATOM 792 CG ASN A 57 -0.345 9.610 -5.270 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.772 8.653 -5.916 1.00 0.00 O ATOM 794 ND2 ASN A 57 0.514 10.489 -5.774 1.00 0.00 N ATOM 0 H ASN A 57 -1.048 9.950 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.059 7.841 -3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.865 9.974 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.339 10.764 -3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.846 10.385 -6.733 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.842 11.267 -5.202 1.00 0.00 H new ATOM 801 N GLU A 58 1.999 9.091 -2.860 1.00 0.00 N ATOM 802 CA GLU A 58 3.406 8.788 -3.090 1.00 0.00 C ATOM 803 C GLU A 58 3.796 7.472 -2.425 1.00 0.00 C ATOM 804 O GLU A 58 4.229 6.531 -3.090 1.00 0.00 O ATOM 805 CB GLU A 58 4.288 9.921 -2.561 1.00 0.00 C ATOM 806 CG GLU A 58 4.385 11.109 -3.503 1.00 0.00 C ATOM 807 CD GLU A 58 5.516 12.052 -3.139 1.00 0.00 C ATOM 808 OE1 GLU A 58 5.426 12.702 -2.077 1.00 0.00 O ATOM 809 OE2 GLU A 58 6.489 12.139 -3.916 1.00 0.00 O ATOM 0 H GLU A 58 1.829 9.992 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 58 3.558 8.690 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.894 10.259 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.290 9.533 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.531 10.749 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.442 11.656 -3.490 1.00 0.00 H new ATOM 816 N VAL A 59 3.639 7.413 -1.106 1.00 0.00 N ATOM 817 CA VAL A 59 3.973 6.212 -0.349 1.00 0.00 C ATOM 818 C VAL A 59 3.367 4.970 -0.993 1.00 0.00 C ATOM 819 O VAL A 59 4.001 3.917 -1.052 1.00 0.00 O ATOM 820 CB VAL A 59 3.483 6.313 1.108 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.810 5.038 1.870 1.00 0.00 C ATOM 822 CG2 VAL A 59 4.095 7.526 1.793 1.00 0.00 C ATOM 0 H VAL A 59 3.283 8.183 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 59 5.060 6.126 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 59 2.400 6.437 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.457 5.127 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.320 4.191 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.889 4.880 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.738 7.582 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.181 7.436 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.805 8.431 1.259 1.00 0.00 H new ATOM 832 N MET A 60 2.136 5.101 -1.475 1.00 0.00 N ATOM 833 CA MET A 60 1.444 3.989 -2.116 1.00 0.00 C ATOM 834 C MET A 60 2.260 3.442 -3.283 1.00 0.00 C ATOM 835 O MET A 60 2.700 2.292 -3.259 1.00 0.00 O ATOM 836 CB MET A 60 0.065 4.433 -2.608 1.00 0.00 C ATOM 837 CG MET A 60 -1.022 4.319 -1.552 1.00 0.00 C ATOM 838 SD MET A 60 -2.499 5.265 -1.970 1.00 0.00 S ATOM 839 CE MET A 60 -3.362 4.098 -3.021 1.00 0.00 C ATOM 0 H MET A 60 1.597 5.966 -1.434 1.00 0.00 H new ATOM 0 HA MET A 60 1.321 3.197 -1.378 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.125 5.467 -2.946 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.215 3.831 -3.472 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.291 3.270 -1.425 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.632 4.666 -0.595 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.215 4.591 -3.488 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.685 3.734 -3.794 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.712 3.258 -2.421 1.00 0.00 H new ATOM 849 N ALA A 61 2.459 4.272 -4.301 1.00 0.00 N ATOM 850 CA ALA A 61 3.224 3.871 -5.476 1.00 0.00 C ATOM 851 C ALA A 61 4.411 2.996 -5.086 1.00 0.00 C ATOM 852 O ALA A 61 4.568 1.886 -5.593 1.00 0.00 O ATOM 853 CB ALA A 61 3.699 5.098 -6.240 1.00 0.00 C ATOM 0 H ALA A 61 2.101 5.227 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 61 2.571 3.285 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.269 4.784 -7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.837 5.684 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.332 5.706 -5.594 1.00 0.00 H new ATOM 859 N GLU A 62 5.243 3.505 -4.182 1.00 0.00 N ATOM 860 CA GLU A 62 6.416 2.769 -3.726 1.00 0.00 C ATOM 861 C GLU A 62 6.035 1.362 -3.275 1.00 0.00 C ATOM 862 O GLU A 62 6.714 0.387 -3.602 1.00 0.00 O ATOM 863 CB GLU A 62 7.100 3.516 -2.579 1.00 0.00 C ATOM 864 CG GLU A 62 7.666 4.867 -2.984 1.00 0.00 C ATOM 865 CD GLU A 62 7.891 5.784 -1.798 1.00 0.00 C ATOM 866 OE1 GLU A 62 8.852 5.546 -1.038 1.00 0.00 O ATOM 867 OE2 GLU A 62 7.105 6.740 -1.631 1.00 0.00 O ATOM 0 H GLU A 62 5.126 4.423 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 62 7.110 2.688 -4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.382 3.660 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.906 2.898 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.610 4.719 -3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.984 5.347 -3.686 1.00 0.00 H new ATOM 874 N LEU A 63 4.944 1.263 -2.523 1.00 0.00 N ATOM 875 CA LEU A 63 4.471 -0.024 -2.026 1.00 0.00 C ATOM 876 C LEU A 63 3.976 -0.902 -3.172 1.00 0.00 C ATOM 877 O LEU A 63 4.402 -2.047 -3.318 1.00 0.00 O ATOM 878 CB LEU A 63 3.351 0.181 -1.005 1.00 0.00 C ATOM 879 CG LEU A 63 3.787 0.640 0.387 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.607 1.218 1.153 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.412 -0.514 1.157 1.00 0.00 C ATOM 0 H LEU A 63 4.370 2.059 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 63 5.307 -0.528 -1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.652 0.915 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.805 -0.756 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 63 4.537 1.423 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.937 1.539 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.204 2.072 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.834 0.457 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.716 -0.169 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.684 -1.318 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.284 -0.882 0.617 1.00 0.00 H new ATOM 893 N ALA A 64 3.076 -0.355 -3.982 1.00 0.00 N ATOM 894 CA ALA A 64 2.526 -1.086 -5.117 1.00 0.00 C ATOM 895 C ALA A 64 3.580 -1.986 -5.753 1.00 0.00 C ATOM 896 O ALA A 64 3.430 -3.208 -5.789 1.00 0.00 O ATOM 897 CB ALA A 64 1.966 -0.117 -6.148 1.00 0.00 C ATOM 0 H ALA A 64 2.712 0.592 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 64 1.717 -1.719 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.559 -0.677 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.176 0.481 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.762 0.540 -6.500 1.00 0.00 H new ATOM 903 N LYS A 65 4.648 -1.375 -6.255 1.00 0.00 N ATOM 904 CA LYS A 65 5.729 -2.121 -6.890 1.00 0.00 C ATOM 905 C LYS A 65 6.431 -3.025 -5.882 1.00 0.00 C ATOM 906 O LYS A 65 6.763 -4.170 -6.189 1.00 0.00 O ATOM 907 CB LYS A 65 6.740 -1.158 -7.518 1.00 0.00 C ATOM 908 CG LYS A 65 7.363 -0.196 -6.522 1.00 0.00 C ATOM 909 CD LYS A 65 8.167 0.887 -7.221 1.00 0.00 C ATOM 910 CE LYS A 65 9.141 1.562 -6.267 1.00 0.00 C ATOM 911 NZ LYS A 65 10.435 0.830 -6.187 1.00 0.00 N ATOM 0 H LYS A 65 4.788 -0.365 -6.235 1.00 0.00 H new ATOM 0 HA LYS A 65 5.296 -2.745 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.531 -1.736 -7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.245 -0.586 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.579 0.263 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.010 -0.747 -5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.716 0.452 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.490 1.632 -7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.322 2.585 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.695 1.621 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.071 1.321 -5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.266 -0.139 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.873 0.796 -7.130 1.00 0.00 H new ATOM 925 N GLU A 66 6.651 -2.505 -4.679 1.00 0.00 N ATOM 926 CA GLU A 66 7.313 -3.267 -3.627 1.00 0.00 C ATOM 927 C GLU A 66 6.581 -4.580 -3.364 1.00 0.00 C ATOM 928 O GLU A 66 7.198 -5.590 -3.020 1.00 0.00 O ATOM 929 CB GLU A 66 7.386 -2.445 -2.339 1.00 0.00 C ATOM 930 CG GLU A 66 7.929 -3.221 -1.151 1.00 0.00 C ATOM 931 CD GLU A 66 7.501 -2.629 0.178 1.00 0.00 C ATOM 932 OE1 GLU A 66 7.889 -1.478 0.469 1.00 0.00 O ATOM 933 OE2 GLU A 66 6.777 -3.318 0.927 1.00 0.00 O ATOM 0 H GLU A 66 6.381 -1.559 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 66 8.325 -3.495 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.016 -1.572 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.389 -2.076 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.588 -4.255 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.018 -3.241 -1.202 1.00 0.00 H new ATOM 940 N LEU A 67 5.263 -4.559 -3.529 1.00 0.00 N ATOM 941 CA LEU A 67 4.446 -5.747 -3.309 1.00 0.00 C ATOM 942 C LEU A 67 3.436 -5.930 -4.438 1.00 0.00 C ATOM 943 O LEU A 67 2.330 -5.391 -4.407 1.00 0.00 O ATOM 944 CB LEU A 67 3.716 -5.648 -1.968 1.00 0.00 C ATOM 945 CG LEU A 67 4.559 -5.188 -0.778 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.674 -4.580 0.299 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.366 -6.349 -0.216 1.00 0.00 C ATOM 0 H LEU A 67 4.738 -3.733 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 67 5.107 -6.614 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.879 -4.959 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.295 -6.626 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 67 5.254 -4.422 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.291 -4.258 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.141 -3.721 -0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.955 -5.324 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.960 -6.003 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.689 -7.137 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.028 -6.740 -0.989 1.00 0.00 H new ATOM 959 N PRO A 68 3.823 -6.709 -5.458 1.00 0.00 N ATOM 960 CA PRO A 68 2.966 -6.984 -6.615 1.00 0.00 C ATOM 961 C PRO A 68 1.778 -7.872 -6.259 1.00 0.00 C ATOM 962 O PRO A 68 0.776 -7.898 -6.972 1.00 0.00 O ATOM 963 CB PRO A 68 3.901 -7.706 -7.587 1.00 0.00 C ATOM 964 CG PRO A 68 4.945 -8.323 -6.721 1.00 0.00 C ATOM 965 CD PRO A 68 5.128 -7.384 -5.561 1.00 0.00 C ATOM 0 HA PRO A 68 2.528 -6.073 -7.022 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.367 -8.462 -8.163 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.340 -7.012 -8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.635 -9.310 -6.379 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.879 -8.454 -7.268 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.376 -7.921 -4.645 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.934 -6.674 -5.743 1.00 0.00 H new ATOM 973 N GLN A 69 1.899 -8.597 -5.152 1.00 0.00 N ATOM 974 CA GLN A 69 0.835 -9.486 -4.702 1.00 0.00 C ATOM 975 C GLN A 69 -0.323 -8.692 -4.106 1.00 0.00 C ATOM 976 O GLN A 69 -1.391 -9.241 -3.833 1.00 0.00 O ATOM 977 CB GLN A 69 1.372 -10.478 -3.669 1.00 0.00 C ATOM 978 CG GLN A 69 1.808 -9.825 -2.367 1.00 0.00 C ATOM 979 CD GLN A 69 3.266 -9.412 -2.381 1.00 0.00 C ATOM 980 OE1 GLN A 69 3.640 -8.436 -3.031 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.099 -10.154 -1.661 1.00 0.00 N ATOM 0 H GLN A 69 2.723 -8.586 -4.551 1.00 0.00 H new ATOM 0 HA GLN A 69 0.467 -10.037 -5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.602 -11.219 -3.454 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.219 -11.014 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.188 -8.949 -2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.639 -10.518 -1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.746 -10.955 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.092 -9.923 -1.632 1.00 0.00 H new ATOM 990 N VAL A 70 -0.105 -7.396 -3.907 1.00 0.00 N ATOM 991 CA VAL A 70 -1.130 -6.525 -3.345 1.00 0.00 C ATOM 992 C VAL A 70 -1.673 -5.564 -4.396 1.00 0.00 C ATOM 993 O VAL A 70 -0.927 -5.062 -5.237 1.00 0.00 O ATOM 994 CB VAL A 70 -0.586 -5.713 -2.155 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.674 -4.824 -1.572 1.00 0.00 C ATOM 996 CG2 VAL A 70 -0.018 -6.641 -1.091 1.00 0.00 C ATOM 0 H VAL A 70 0.773 -6.926 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.936 -7.170 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 70 0.220 -5.073 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.270 -4.258 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.029 -4.134 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.503 -5.442 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.362 -6.050 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.802 -7.309 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.794 -7.230 -1.518 1.00 0.00 H new ATOM 1006 N SER A 71 -2.977 -5.312 -4.343 1.00 0.00 N ATOM 1007 CA SER A 71 -3.621 -4.413 -5.294 1.00 0.00 C ATOM 1008 C SER A 71 -4.040 -3.113 -4.614 1.00 0.00 C ATOM 1009 O SER A 71 -4.915 -3.106 -3.748 1.00 0.00 O ATOM 1010 CB SER A 71 -4.841 -5.090 -5.922 1.00 0.00 C ATOM 1011 OG SER A 71 -4.459 -6.218 -6.690 1.00 0.00 O ATOM 0 H SER A 71 -3.608 -5.717 -3.652 1.00 0.00 H new ATOM 0 HA SER A 71 -2.902 -4.177 -6.078 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.534 -5.397 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.371 -4.378 -6.555 1.00 0.00 H new ATOM 0 HG SER A 71 -4.564 -6.016 -7.643 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.408 -2.014 -5.012 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.714 -0.707 -4.441 1.00 0.00 C ATOM 1019 C PHE A 72 -4.726 0.040 -5.304 1.00 0.00 C ATOM 1020 O PHE A 72 -4.471 0.326 -6.474 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.436 0.122 -4.300 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.455 -0.449 -3.317 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.657 -1.528 -3.662 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.332 0.091 -2.047 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.246 -2.056 -2.759 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.431 -0.433 -1.140 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.360 -1.507 -1.496 1.00 0.00 C ATOM 0 H PHE A 72 -2.681 -2.002 -5.727 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.150 -0.862 -3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.956 0.202 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.701 1.133 -3.991 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.742 -1.961 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.948 0.931 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.862 -2.897 -3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.346 -0.003 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.066 -1.917 -0.789 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.878 0.353 -4.718 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.929 1.067 -5.432 1.00 0.00 C ATOM 1039 C VAL A 73 -7.349 2.324 -4.679 1.00 0.00 C ATOM 1040 O VAL A 73 -7.611 2.283 -3.476 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.166 0.175 -5.649 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.845 -0.957 -6.613 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.668 -0.371 -4.321 1.00 0.00 C ATOM 0 H VAL A 73 -6.106 0.123 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.518 1.348 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.958 0.782 -6.089 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.730 -1.577 -6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.536 -0.541 -7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.038 -1.565 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.542 -0.999 -4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.883 -0.963 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.939 0.457 -3.666 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.412 3.443 -5.393 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.802 4.713 -4.794 1.00 0.00 C ATOM 1055 C LYS A 74 -9.196 5.127 -5.255 1.00 0.00 C ATOM 1056 O LYS A 74 -9.492 5.125 -6.450 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.789 5.803 -5.155 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.698 6.078 -6.645 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.512 6.969 -6.976 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.866 8.442 -6.840 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.667 9.315 -6.973 1.00 0.00 N ATOM 0 H LYS A 74 -7.197 3.495 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.820 4.586 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.060 6.724 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.806 5.510 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.608 5.135 -7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.618 6.554 -6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.680 6.731 -6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.176 6.767 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.598 8.711 -7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.335 8.615 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.950 10.311 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.979 9.075 -6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.233 9.169 -7.907 1.00 0.00 H new ATOM 1075 N LEU A 75 -10.048 5.484 -4.300 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.411 5.902 -4.608 1.00 0.00 C ATOM 1077 C LEU A 75 -11.732 7.240 -3.950 1.00 0.00 C ATOM 1078 O LEU A 75 -11.374 7.477 -2.796 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.409 4.840 -4.143 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.874 5.275 -4.086 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.793 4.086 -4.323 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.184 5.932 -2.749 1.00 0.00 C ATOM 0 H LEU A 75 -9.819 5.492 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.493 6.020 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.332 3.981 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.112 4.501 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.047 6.006 -4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.831 4.414 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.589 3.658 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.618 3.332 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.231 6.235 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.994 5.224 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.550 6.809 -2.619 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.410 8.111 -4.691 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.779 9.425 -4.178 1.00 0.00 C ATOM 1096 C GLU A 76 -14.120 9.368 -3.452 1.00 0.00 C ATOM 1097 O GLU A 76 -15.155 9.090 -4.058 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.848 10.442 -5.319 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.788 11.886 -4.852 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.491 12.836 -5.802 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -13.507 12.554 -7.019 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -14.023 13.862 -5.330 1.00 0.00 O ATOM 0 H GLU A 76 -12.715 7.930 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.013 9.738 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.024 10.258 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.772 10.287 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.242 11.964 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.746 12.187 -4.748 1.00 0.00 H new ATOM 1109 N ALA A 77 -14.093 9.632 -2.150 1.00 0.00 N ATOM 1110 CA ALA A 77 -15.306 9.613 -1.341 1.00 0.00 C ATOM 1111 C ALA A 77 -16.408 10.447 -1.984 1.00 0.00 C ATOM 1112 O ALA A 77 -17.515 9.959 -2.211 1.00 0.00 O ATOM 1113 CB ALA A 77 -15.011 10.117 0.064 1.00 0.00 C ATOM 0 H ALA A 77 -13.244 9.862 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.656 8.583 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.925 10.097 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.262 9.477 0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.634 11.138 0.012 1.00 0.00 H new ATOM 1119 N GLU A 78 -16.098 11.707 -2.274 1.00 0.00 N ATOM 1120 CA GLU A 78 -17.065 12.608 -2.890 1.00 0.00 C ATOM 1121 C GLU A 78 -17.415 12.149 -4.302 1.00 0.00 C ATOM 1122 O GLU A 78 -18.445 12.532 -4.854 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.513 14.035 -2.927 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.189 14.599 -1.554 1.00 0.00 C ATOM 1125 CD GLU A 78 -14.900 14.040 -0.984 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -13.959 13.801 -1.769 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -14.833 13.841 0.247 1.00 0.00 O ATOM 0 H GLU A 78 -15.186 12.126 -2.092 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.973 12.592 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.611 14.051 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.240 14.684 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.112 15.684 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.010 14.378 -0.872 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.548 11.324 -4.882 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.781 10.826 -6.225 1.00 0.00 C ATOM 1136 C GLY A 79 -17.810 9.713 -6.259 1.00 0.00 C ATOM 1137 O GLY A 79 -18.802 9.797 -6.982 1.00 0.00 O ATOM 0 H GLY A 79 -15.688 10.992 -4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.116 11.646 -6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.842 10.462 -6.642 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.572 8.665 -5.477 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.485 7.529 -5.421 1.00 0.00 C ATOM 1143 C VAL A 80 -19.158 7.432 -4.057 1.00 0.00 C ATOM 1144 O VAL A 80 -18.781 6.624 -3.208 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.754 6.206 -5.717 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.753 5.077 -5.915 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.856 6.355 -6.936 1.00 0.00 C ATOM 0 H VAL A 80 -16.754 8.579 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.244 7.694 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.127 5.958 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -18.218 4.150 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -19.350 4.956 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.408 5.314 -6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.347 5.411 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.460 6.627 -7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.117 7.134 -6.750 1.00 0.00 H new ATOM 1157 N PRO A 81 -20.179 8.274 -3.839 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.928 8.301 -2.579 1.00 0.00 C ATOM 1159 C PRO A 81 -21.786 7.055 -2.388 1.00 0.00 C ATOM 1160 O PRO A 81 -22.400 6.870 -1.338 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.811 9.543 -2.719 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.969 9.733 -4.188 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.682 9.264 -4.807 1.00 0.00 C ATOM 0 HA PRO A 81 -20.268 8.326 -1.712 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.776 9.399 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.346 10.413 -2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.816 9.160 -4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.159 10.779 -4.428 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.847 8.819 -5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.979 10.086 -4.944 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.823 6.205 -3.409 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.607 4.977 -3.351 1.00 0.00 C ATOM 1173 C GLU A 82 -21.916 3.931 -2.480 1.00 0.00 C ATOM 1174 O GLU A 82 -22.572 3.124 -1.822 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.827 4.419 -4.759 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.654 3.145 -4.787 1.00 0.00 C ATOM 1177 CD GLU A 82 -25.144 3.415 -4.711 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.656 4.167 -5.567 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.799 2.875 -3.794 1.00 0.00 O ATOM 0 H GLU A 82 -21.320 6.344 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.574 5.214 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -23.321 5.176 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.858 4.223 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -23.435 2.594 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -23.361 2.508 -3.953 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.587 3.951 -2.482 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.807 3.006 -1.693 1.00 0.00 C ATOM 1188 C VAL A 83 -19.451 3.590 -0.330 1.00 0.00 C ATOM 1189 O VAL A 83 -19.325 2.863 0.655 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.510 2.603 -2.420 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.627 1.763 -1.511 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.831 1.855 -3.705 1.00 0.00 C ATOM 0 H VAL A 83 -20.028 4.612 -3.022 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.428 2.121 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.963 3.509 -2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.716 1.488 -2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.369 2.338 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.162 0.860 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.904 1.578 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.399 0.955 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.420 2.495 -4.361 1.00 0.00 H new ATOM 1202 N SER A 84 -19.291 4.909 -0.281 1.00 0.00 N ATOM 1203 CA SER A 84 -18.947 5.591 0.961 1.00 0.00 C ATOM 1204 C SER A 84 -20.026 5.374 2.017 1.00 0.00 C ATOM 1205 O SER A 84 -19.737 5.323 3.212 1.00 0.00 O ATOM 1206 CB SER A 84 -18.757 7.088 0.709 1.00 0.00 C ATOM 1207 OG SER A 84 -17.820 7.316 -0.329 1.00 0.00 O ATOM 0 H SER A 84 -19.394 5.526 -1.087 1.00 0.00 H new ATOM 0 HA SER A 84 -18.012 5.170 1.331 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.713 7.540 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.416 7.573 1.624 1.00 0.00 H new ATOM 0 HG SER A 84 -18.243 7.142 -1.196 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.270 5.247 1.566 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.393 5.037 2.472 1.00 0.00 C ATOM 1215 C GLU A 85 -22.340 3.642 3.089 1.00 0.00 C ATOM 1216 O GLU A 85 -22.426 3.484 4.307 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.718 5.230 1.732 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.044 4.104 0.766 1.00 0.00 C ATOM 1219 CD GLU A 85 -25.244 4.414 -0.108 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -25.092 5.205 -1.063 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -26.334 3.868 0.163 1.00 0.00 O ATOM 0 H GLU A 85 -21.525 5.286 0.579 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.323 5.773 3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -24.523 5.316 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.684 6.171 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -23.178 3.912 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.236 3.191 1.330 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.198 2.631 2.238 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.133 1.248 2.696 1.00 0.00 C ATOM 1230 C LYS A 86 -21.187 1.112 3.885 1.00 0.00 C ATOM 1231 O LYS A 86 -21.554 0.562 4.923 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.674 0.333 1.559 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.774 -1.146 1.890 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.555 -1.629 2.658 1.00 0.00 C ATOM 1235 CE LYS A 86 -20.566 -3.140 2.828 1.00 0.00 C ATOM 1236 NZ LYS A 86 -20.127 -3.841 1.590 1.00 0.00 N ATOM 0 H LYS A 86 -22.126 2.744 1.227 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.132 0.950 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.274 0.540 0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.641 0.571 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -22.672 -1.328 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -21.876 -1.720 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.649 -1.328 2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.528 -1.152 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.911 -3.417 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.571 -3.468 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -20.132 -4.868 1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.777 -3.610 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -19.165 -3.535 1.340 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.969 1.618 3.726 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.970 1.553 4.786 1.00 0.00 C ATOM 1252 C TYR A 87 -19.043 2.787 5.680 1.00 0.00 C ATOM 1253 O TYR A 87 -18.464 2.814 6.766 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.568 1.426 4.187 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.397 0.214 3.298 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.082 -1.028 3.837 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.548 0.311 1.921 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.924 -2.137 3.030 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.394 -0.794 1.106 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.081 -2.015 1.665 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.925 -3.118 0.856 1.00 0.00 O ATOM 0 H TYR A 87 -19.650 2.078 2.873 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.179 0.673 5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.346 2.324 3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.839 1.379 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.959 -1.127 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -17.790 1.267 1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.679 -3.095 3.465 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.518 -0.702 0.037 1.00 0.00 H new ATOM 0 HH TYR A 87 -17.070 -2.861 -0.079 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.759 3.805 5.215 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.908 5.042 5.972 1.00 0.00 C ATOM 1273 C GLU A 88 -18.575 5.777 6.082 1.00 0.00 C ATOM 1274 O GLU A 88 -18.239 6.320 7.135 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.457 4.748 7.370 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.713 3.892 7.363 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.286 3.686 8.751 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -21.933 4.465 9.661 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.089 2.745 8.927 1.00 0.00 O ATOM 0 H GLU A 88 -20.245 3.798 4.318 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.613 5.681 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.687 4.244 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.673 5.691 7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.465 4.362 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.485 2.922 6.921 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.820 5.788 4.989 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.525 6.456 4.961 1.00 0.00 C ATOM 1288 C ILE A 89 -16.688 7.971 4.907 1.00 0.00 C ATOM 1289 O ILE A 89 -16.812 8.554 3.830 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.681 5.998 3.757 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.392 4.499 3.849 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.384 6.790 3.688 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.312 4.152 4.850 1.00 0.00 C ATOM 0 H ILE A 89 -18.083 5.341 4.110 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.009 6.182 5.881 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.247 6.184 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.309 3.976 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.096 4.133 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.798 6.455 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.611 7.851 3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.812 6.633 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.160 3.073 4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.382 4.646 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.614 4.487 5.842 1.00 0.00 H new ATOM 1305 N SER A 90 -16.687 8.603 6.077 1.00 0.00 N ATOM 1306 CA SER A 90 -16.837 10.051 6.163 1.00 0.00 C ATOM 1307 C SER A 90 -15.562 10.698 6.696 1.00 0.00 C ATOM 1308 O SER A 90 -15.614 11.602 7.531 1.00 0.00 O ATOM 1309 CB SER A 90 -18.020 10.409 7.065 1.00 0.00 C ATOM 1310 OG SER A 90 -19.199 9.744 6.647 1.00 0.00 O ATOM 0 H SER A 90 -16.584 8.135 6.978 1.00 0.00 H new ATOM 0 HA SER A 90 -17.025 10.433 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.791 10.137 8.095 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.181 11.487 7.048 1.00 0.00 H new ATOM 0 HG SER A 90 -19.940 9.988 7.240 1.00 0.00 H new ATOM 1316 N SER A 91 -14.419 10.228 6.208 1.00 0.00 N ATOM 1317 CA SER A 91 -13.130 10.758 6.638 1.00 0.00 C ATOM 1318 C SER A 91 -12.020 10.327 5.682 1.00 0.00 C ATOM 1319 O SER A 91 -12.006 9.195 5.199 1.00 0.00 O ATOM 1320 CB SER A 91 -12.808 10.286 8.057 1.00 0.00 C ATOM 1321 OG SER A 91 -13.013 8.890 8.189 1.00 0.00 O ATOM 0 H SER A 91 -14.359 9.482 5.515 1.00 0.00 H new ATOM 0 HA SER A 91 -13.191 11.846 6.630 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.773 10.529 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.436 10.818 8.772 1.00 0.00 H new ATOM 0 HG SER A 91 -12.799 8.613 9.104 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.092 11.240 5.414 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.978 10.957 4.518 1.00 0.00 C ATOM 1329 C VAL A 92 -8.703 11.646 4.991 1.00 0.00 C ATOM 1330 O VAL A 92 -8.736 12.703 5.622 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.287 11.406 3.077 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.507 10.673 2.539 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.494 12.912 3.023 1.00 0.00 C ATOM 0 H VAL A 92 -11.090 12.182 5.805 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.830 9.877 4.530 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.435 11.155 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.710 11.003 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.317 9.600 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.369 10.890 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.711 13.213 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.329 13.188 3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.590 13.416 3.365 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.550 11.036 4.679 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.498 9.778 3.929 1.00 0.00 C ATOM 1345 C PRO A 93 -8.017 8.596 4.741 1.00 0.00 C ATOM 1346 O PRO A 93 -8.158 8.682 5.961 1.00 0.00 O ATOM 1347 CB PRO A 93 -6.007 9.606 3.628 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.313 10.365 4.705 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.208 11.527 5.036 1.00 0.00 C ATOM 0 HA PRO A 93 -8.126 9.808 3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.720 8.554 3.637 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.754 9.997 2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.149 9.737 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.334 10.709 4.371 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.145 11.795 6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.940 12.416 4.465 1.00 0.00 H new ATOM 1357 N THR A 94 -8.299 7.492 4.057 1.00 0.00 N ATOM 1358 CA THR A 94 -8.803 6.293 4.715 1.00 0.00 C ATOM 1359 C THR A 94 -8.459 5.041 3.916 1.00 0.00 C ATOM 1360 O THR A 94 -8.661 4.993 2.702 1.00 0.00 O ATOM 1361 CB THR A 94 -10.330 6.360 4.911 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.650 7.294 5.948 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.890 4.991 5.265 1.00 0.00 C ATOM 0 H THR A 94 -8.187 7.403 3.047 1.00 0.00 H new ATOM 0 HA THR A 94 -8.320 6.241 5.691 1.00 0.00 H new ATOM 0 HB THR A 94 -10.781 6.689 3.975 1.00 0.00 H new ATOM 0 HG1 THR A 94 -10.974 8.128 5.548 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.969 5.063 5.399 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.670 4.289 4.461 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.433 4.639 6.190 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.940 4.030 4.603 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.568 2.777 3.957 1.00 0.00 C ATOM 1373 C PHE A 95 -8.455 1.632 4.438 1.00 0.00 C ATOM 1374 O PHE A 95 -8.716 1.494 5.633 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.099 2.451 4.236 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.158 3.562 3.869 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.948 4.625 4.733 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.483 3.544 2.658 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -4.083 5.649 4.398 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.616 4.565 2.318 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.416 5.619 3.188 1.00 0.00 C ATOM 0 H PHE A 95 -7.767 4.054 5.608 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.709 2.896 2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.981 2.221 5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.823 1.554 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.467 4.653 5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.636 2.723 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.928 6.472 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.095 4.539 1.372 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.740 6.418 2.923 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.916 0.815 3.498 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.775 -0.318 3.824 1.00 0.00 C ATOM 1393 C LEU A 96 -9.222 -1.610 3.229 1.00 0.00 C ATOM 1394 O LEU A 96 -9.311 -1.837 2.023 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.194 -0.073 3.309 1.00 0.00 C ATOM 1396 CG LEU A 96 -12.075 0.830 4.172 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.432 1.038 3.517 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.238 0.242 5.566 1.00 0.00 C ATOM 0 H LEU A 96 -8.710 0.916 2.504 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.802 -0.421 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.127 0.364 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.691 -1.037 3.202 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.587 1.800 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -14.045 1.683 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.297 1.505 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.928 0.075 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.868 0.898 6.166 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.703 -0.741 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.260 0.147 6.038 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.653 -2.453 4.084 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.087 -3.722 3.644 1.00 0.00 C ATOM 1412 C PHE A 97 -9.182 -4.765 3.439 1.00 0.00 C ATOM 1413 O PHE A 97 -9.973 -5.037 4.342 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.068 -4.232 4.665 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.950 -3.264 4.930 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -6.067 -2.305 5.924 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.782 -3.313 4.186 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -5.041 -1.413 6.171 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.752 -2.424 4.429 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.882 -1.472 5.422 1.00 0.00 C ATOM 0 H PHE A 97 -8.572 -2.280 5.086 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.585 -3.555 2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.581 -4.448 5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.647 -5.172 4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.971 -2.254 6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.675 -4.054 3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.145 -0.671 6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.846 -2.473 3.843 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.079 -0.775 5.612 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.223 -5.344 2.243 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.222 -6.355 1.917 1.00 0.00 C ATOM 1432 C PHE A 98 -9.560 -7.622 1.384 1.00 0.00 C ATOM 1433 O PHE A 98 -8.972 -7.621 0.302 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.212 -5.810 0.885 1.00 0.00 C ATOM 1435 CG PHE A 98 -11.999 -4.628 1.375 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -12.984 -4.785 2.336 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.752 -3.360 0.873 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.710 -3.699 2.788 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.474 -2.270 1.323 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.455 -2.440 2.280 1.00 0.00 C ATOM 0 H PHE A 98 -8.576 -5.130 1.484 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.761 -6.605 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.667 -5.525 -0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.903 -6.604 0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.187 -5.767 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.988 -3.222 0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.476 -3.835 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.271 -1.286 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.022 -1.590 2.631 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.658 -8.702 2.152 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.070 -9.977 1.759 1.00 0.00 C ATOM 1452 C LYS A 99 -10.154 -10.998 1.432 1.00 0.00 C ATOM 1453 O LYS A 99 -10.815 -11.523 2.326 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.170 -10.512 2.875 1.00 0.00 C ATOM 1455 CG LYS A 99 -6.744 -9.995 2.808 1.00 0.00 C ATOM 1456 CD LYS A 99 -5.760 -10.991 3.398 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.522 -10.297 3.942 1.00 0.00 C ATOM 1458 NZ LYS A 99 -3.783 -11.156 4.908 1.00 0.00 N ATOM 0 H LYS A 99 -10.140 -8.720 3.051 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.470 -9.812 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.601 -10.241 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.155 -11.601 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.479 -9.791 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.673 -9.050 3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.244 -11.552 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.468 -11.712 2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.863 -10.030 3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.812 -9.367 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.760 -11.012 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.057 -10.902 5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.015 -12.154 4.733 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.330 -11.275 0.144 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.334 -12.235 -0.301 1.00 0.00 C ATOM 1474 C ASN A 100 -12.740 -11.666 -0.139 1.00 0.00 C ATOM 1475 O ASN A 100 -13.660 -12.367 0.281 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.206 -13.540 0.487 1.00 0.00 C ATOM 1477 CG ASN A 100 -11.656 -14.746 -0.316 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -12.073 -14.619 -1.467 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -11.574 -15.924 0.291 1.00 0.00 N ATOM 0 H ASN A 100 -9.791 -10.849 -0.610 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.163 -12.438 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.169 -13.677 0.793 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.800 -13.471 1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.863 -16.771 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.222 -15.982 1.247 1.00 0.00 H new ATOM 1486 N SER A 101 -12.899 -10.390 -0.477 1.00 0.00 N ATOM 1487 CA SER A 101 -14.192 -9.725 -0.366 1.00 0.00 C ATOM 1488 C SER A 101 -14.669 -9.703 1.083 1.00 0.00 C ATOM 1489 O SER A 101 -15.837 -9.969 1.366 1.00 0.00 O ATOM 1490 CB SER A 101 -15.227 -10.427 -1.245 1.00 0.00 C ATOM 1491 OG SER A 101 -14.879 -10.335 -2.616 1.00 0.00 O ATOM 0 H SER A 101 -12.148 -9.796 -0.830 1.00 0.00 H new ATOM 0 HA SER A 101 -14.074 -8.696 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.303 -11.475 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.208 -9.980 -1.085 1.00 0.00 H new ATOM 0 HG SER A 101 -14.012 -9.887 -2.704 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.757 -9.385 1.996 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.084 -9.330 3.415 1.00 0.00 C ATOM 1499 C GLN A 102 -13.116 -8.417 4.162 1.00 0.00 C ATOM 1500 O GLN A 102 -11.908 -8.652 4.173 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.051 -10.733 4.023 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.144 -11.650 3.497 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.388 -12.844 4.397 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -15.170 -13.990 4.002 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -15.843 -12.583 5.617 1.00 0.00 N ATOM 0 H GLN A 102 -12.786 -9.162 1.778 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.090 -8.922 3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.080 -11.185 3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.145 -10.653 5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.069 -11.083 3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.871 -12.000 2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.010 -11.618 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.025 -13.347 6.268 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.655 -7.374 4.784 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.841 -6.425 5.534 1.00 0.00 C ATOM 1516 C LYS A 103 -12.174 -7.104 6.726 1.00 0.00 C ATOM 1517 O LYS A 103 -12.832 -7.789 7.510 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.700 -5.254 6.016 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.889 -4.056 6.479 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.779 -2.859 6.770 1.00 0.00 C ATOM 1521 CE LYS A 103 -14.681 -3.113 7.969 1.00 0.00 C ATOM 1522 NZ LYS A 103 -15.497 -1.916 8.313 1.00 0.00 N ATOM 0 H LYS A 103 -14.653 -7.164 4.783 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.063 -6.048 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.363 -4.943 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.334 -5.592 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.328 -4.320 7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.160 -3.791 5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.160 -1.982 6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.389 -2.637 5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.341 -3.953 7.755 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.072 -3.397 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.098 -2.130 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.867 -1.121 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.097 -1.660 7.503 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.866 -6.909 6.857 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.112 -7.500 7.955 1.00 0.00 C ATOM 1538 C ILE A 104 -9.324 -6.439 8.715 1.00 0.00 C ATOM 1539 O ILE A 104 -9.105 -6.559 9.921 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.139 -8.582 7.451 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.144 -7.981 6.456 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.907 -9.730 6.812 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.868 -8.782 6.318 1.00 0.00 C ATOM 0 H ILE A 104 -10.307 -6.346 6.216 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.839 -7.959 8.625 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.582 -8.973 8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.622 -7.903 5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.895 -6.968 6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.205 -10.486 6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.579 -10.172 7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.488 -9.355 5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.210 -8.297 5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.368 -8.839 7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.106 -9.788 5.973 1.00 0.00 H new ATOM 1555 N ASP A 105 -8.903 -5.400 8.003 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.142 -4.314 8.611 1.00 0.00 C ATOM 1557 C ASP A 105 -8.598 -2.962 8.072 1.00 0.00 C ATOM 1558 O ASP A 105 -9.327 -2.891 7.082 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.646 -4.503 8.351 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.786 -3.702 9.308 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -5.837 -3.979 10.524 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.063 -2.797 8.841 1.00 0.00 O ATOM 0 H ASP A 105 -9.076 -5.286 7.004 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.322 -4.335 9.686 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.396 -5.560 8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.418 -4.207 7.327 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.165 -1.892 8.730 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.530 -0.542 8.317 1.00 0.00 C ATOM 1569 C ARG A 106 -7.599 0.490 8.947 1.00 0.00 C ATOM 1570 O ARG A 106 -7.241 0.385 10.121 1.00 0.00 O ATOM 1571 CB ARG A 106 -9.979 -0.242 8.707 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.334 1.235 8.641 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.694 1.509 9.263 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.291 2.740 8.752 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.478 3.196 9.137 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -14.191 2.526 10.032 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.954 4.324 8.626 1.00 0.00 N ATOM 0 H ARG A 106 -7.561 -1.933 9.551 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.431 -0.481 7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.646 -0.797 8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.157 -0.605 9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.572 1.817 9.159 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.335 1.564 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.361 0.671 9.060 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.590 1.579 10.346 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.768 3.279 8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.828 1.658 10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -15.102 2.878 10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.409 4.842 7.937 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.865 4.673 8.922 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.208 1.485 8.158 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.317 2.536 8.638 1.00 0.00 C ATOM 1593 C LEU A 107 -6.932 3.914 8.415 1.00 0.00 C ATOM 1594 O LEU A 107 -7.074 4.365 7.278 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.964 2.448 7.929 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.758 2.956 8.720 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.482 2.797 7.908 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.958 4.410 9.122 1.00 0.00 C ATOM 0 H LEU A 107 -7.494 1.586 7.184 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.169 2.393 9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.784 1.407 7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.027 3.012 6.998 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.665 2.358 9.627 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.634 3.164 8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.331 1.744 7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.565 3.369 6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.090 4.755 9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.078 5.022 8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.850 4.497 9.743 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.292 4.579 9.507 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.888 5.908 9.431 1.00 0.00 C ATOM 1612 C ASP A 108 -6.845 6.988 9.698 1.00 0.00 C ATOM 1613 O ASP A 108 -5.983 6.833 10.563 1.00 0.00 O ATOM 1614 CB ASP A 108 -9.037 6.033 10.434 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.635 5.605 11.831 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -7.509 5.942 12.254 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -9.446 4.935 12.503 1.00 0.00 O ATOM 0 H ASP A 108 -7.182 4.220 10.455 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.278 6.047 8.423 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.383 7.066 10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.876 5.424 10.098 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.928 8.083 8.948 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.984 9.172 9.118 1.00 0.00 C ATOM 1624 C GLY A 109 -4.802 9.068 8.174 1.00 0.00 C ATOM 1625 O GLY A 109 -4.599 8.036 7.534 1.00 0.00 O ATOM 0 H GLY A 109 -7.632 8.235 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.495 10.121 8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.624 9.179 10.147 1.00 0.00 H new ATOM 1629 N ALA A 110 -4.022 10.140 8.085 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.855 10.165 7.212 1.00 0.00 C ATOM 1631 C ALA A 110 -1.609 9.684 7.948 1.00 0.00 C ATOM 1632 O ALA A 110 -1.028 10.416 8.750 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.637 11.566 6.661 1.00 0.00 C ATOM 0 H ALA A 110 -4.177 11.003 8.607 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.040 9.485 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.762 11.569 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.514 11.873 6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.479 12.261 7.486 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.203 8.449 7.671 1.00 0.00 N ATOM 1640 CA HIS A 111 -0.025 7.871 8.308 1.00 0.00 C ATOM 1641 C HIS A 111 0.891 7.226 7.272 1.00 0.00 C ATOM 1642 O HIS A 111 0.507 6.270 6.599 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.440 6.835 9.353 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.160 7.425 10.527 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -2.423 7.239 10.975 1.00 0.00 N flip ATOM 1646 CD2 HIS A 111 -0.575 8.325 11.393 1.00 0.00 C flip ATOM 1647 CE1 HIS A 111 -2.577 8.022 12.093 1.00 0.00 C flip ATOM 1648 NE2 HIS A 111 -1.448 8.666 12.324 1.00 0.00 N flip ATOM 0 H HIS A 111 -1.672 7.830 7.010 1.00 0.00 H new ATOM 0 HA HIS A 111 0.522 8.675 8.801 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.081 6.091 8.880 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.448 6.312 9.707 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.438 8.693 11.321 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.476 8.098 12.687 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.278 9.317 13.091 1.00 0.00 H new ATOM 1657 N ALA A 112 2.104 7.756 7.149 1.00 0.00 N ATOM 1658 CA ALA A 112 3.074 7.231 6.196 1.00 0.00 C ATOM 1659 C ALA A 112 3.534 5.833 6.595 1.00 0.00 C ATOM 1660 O ALA A 112 3.367 4.864 5.855 1.00 0.00 O ATOM 1661 CB ALA A 112 4.266 8.170 6.086 1.00 0.00 C ATOM 0 H ALA A 112 2.438 8.548 7.698 1.00 0.00 H new ATOM 0 HA ALA A 112 2.589 7.161 5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.983 7.766 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.928 9.149 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.743 8.269 7.061 1.00 0.00 H new ATOM 1667 N PRO A 113 4.129 5.724 7.793 1.00 0.00 N ATOM 1668 CA PRO A 113 4.626 4.449 8.317 1.00 0.00 C ATOM 1669 C PRO A 113 3.495 3.492 8.681 1.00 0.00 C ATOM 1670 O PRO A 113 3.492 2.334 8.265 1.00 0.00 O ATOM 1671 CB PRO A 113 5.404 4.859 9.569 1.00 0.00 C ATOM 1672 CG PRO A 113 4.788 6.147 9.993 1.00 0.00 C ATOM 1673 CD PRO A 113 4.361 6.838 8.727 1.00 0.00 C ATOM 0 HA PRO A 113 5.227 3.913 7.583 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.321 4.104 10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.466 4.980 9.353 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.936 5.974 10.650 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.501 6.756 10.549 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.459 7.431 8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.131 7.517 8.360 1.00 0.00 H new ATOM 1681 N GLU A 114 2.538 3.984 9.461 1.00 0.00 N ATOM 1682 CA GLU A 114 1.403 3.172 9.881 1.00 0.00 C ATOM 1683 C GLU A 114 0.831 2.386 8.704 1.00 0.00 C ATOM 1684 O GLU A 114 0.398 1.243 8.858 1.00 0.00 O ATOM 1685 CB GLU A 114 0.314 4.054 10.496 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.603 3.312 11.453 1.00 0.00 C ATOM 1687 CD GLU A 114 -1.555 4.238 12.184 1.00 0.00 C ATOM 1688 OE1 GLU A 114 -1.164 5.390 12.468 1.00 0.00 O ATOM 1689 OE2 GLU A 114 -2.693 3.811 12.472 1.00 0.00 O ATOM 0 H GLU A 114 2.526 4.941 9.815 1.00 0.00 H new ATOM 0 HA GLU A 114 1.754 2.465 10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.785 4.882 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.285 4.488 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.178 2.570 10.898 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.000 2.769 12.181 1.00 0.00 H new ATOM 1696 N LEU A 115 0.832 3.007 7.530 1.00 0.00 N ATOM 1697 CA LEU A 115 0.313 2.367 6.326 1.00 0.00 C ATOM 1698 C LEU A 115 1.198 1.197 5.906 1.00 0.00 C ATOM 1699 O LEU A 115 0.776 0.040 5.943 1.00 0.00 O ATOM 1700 CB LEU A 115 0.217 3.382 5.186 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.532 2.919 3.936 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -2.013 2.743 4.235 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.330 3.907 2.796 1.00 0.00 C ATOM 0 H LEU A 115 1.186 3.953 7.386 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.683 1.984 6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.271 4.280 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.228 3.668 4.895 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.127 1.954 3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.529 2.413 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.140 1.997 5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.433 3.693 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.870 3.561 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.707 4.886 3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.732 3.982 2.564 1.00 0.00 H new ATOM 1715 N THR A 116 2.429 1.505 5.509 1.00 0.00 N ATOM 1716 CA THR A 116 3.374 0.480 5.084 1.00 0.00 C ATOM 1717 C THR A 116 3.335 -0.724 6.017 1.00 0.00 C ATOM 1718 O THR A 116 3.312 -1.870 5.567 1.00 0.00 O ATOM 1719 CB THR A 116 4.812 1.029 5.032 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.895 2.097 4.081 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.797 -0.068 4.657 1.00 0.00 C ATOM 0 H THR A 116 2.795 2.457 5.473 1.00 0.00 H new ATOM 0 HA THR A 116 3.075 0.170 4.083 1.00 0.00 H new ATOM 0 HB THR A 116 5.070 1.404 6.022 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.812 2.442 4.055 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.806 0.344 4.627 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.753 -0.866 5.398 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.539 -0.469 3.677 1.00 0.00 H new ATOM 1729 N LYS A 117 3.327 -0.459 7.319 1.00 0.00 N ATOM 1730 CA LYS A 117 3.288 -1.521 8.317 1.00 0.00 C ATOM 1731 C LYS A 117 2.175 -2.517 8.009 1.00 0.00 C ATOM 1732 O LYS A 117 2.435 -3.679 7.699 1.00 0.00 O ATOM 1733 CB LYS A 117 3.087 -0.929 9.714 1.00 0.00 C ATOM 1734 CG LYS A 117 4.321 -0.237 10.265 1.00 0.00 C ATOM 1735 CD LYS A 117 4.303 -0.192 11.784 1.00 0.00 C ATOM 1736 CE LYS A 117 3.447 0.956 12.297 1.00 0.00 C ATOM 1737 NZ LYS A 117 3.545 1.102 13.776 1.00 0.00 N ATOM 0 H LYS A 117 3.347 0.484 7.708 1.00 0.00 H new ATOM 0 HA LYS A 117 4.241 -2.049 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.264 -0.215 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.791 -1.725 10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.215 -0.761 9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.377 0.778 9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.919 -1.135 12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.321 -0.084 12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.760 1.884 11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.407 0.787 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.948 1.895 14.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 3.223 0.225 14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.533 1.288 14.042 1.00 0.00 H new ATOM 1751 N LYS A 118 0.932 -2.053 8.095 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.222 -2.901 7.823 1.00 0.00 C ATOM 1753 C LYS A 118 -0.100 -3.564 6.455 1.00 0.00 C ATOM 1754 O LYS A 118 -0.227 -4.782 6.330 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.511 -2.080 7.891 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.926 -1.714 9.305 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.737 -0.429 9.334 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.440 -0.243 10.670 1.00 0.00 C ATOM 1759 NZ LYS A 118 -2.471 -0.064 11.786 1.00 0.00 N ATOM 0 H LYS A 118 0.699 -1.094 8.351 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.255 -3.681 8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.380 -1.166 7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.316 -2.644 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.513 -2.526 9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.039 -1.599 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.081 0.421 9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.475 -0.445 8.532 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.097 0.625 10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.071 -1.109 10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.949 0.386 12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.101 -0.992 12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.685 0.538 11.470 1.00 0.00 H new ATOM 1773 N VAL A 119 0.149 -2.755 5.430 1.00 0.00 N ATOM 1774 CA VAL A 119 0.291 -3.263 4.071 1.00 0.00 C ATOM 1775 C VAL A 119 1.221 -4.471 4.030 1.00 0.00 C ATOM 1776 O VAL A 119 0.847 -5.537 3.542 1.00 0.00 O ATOM 1777 CB VAL A 119 0.833 -2.179 3.120 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.020 -2.743 1.720 1.00 0.00 C ATOM 1779 CG2 VAL A 119 -0.097 -0.976 3.100 1.00 0.00 C ATOM 0 H VAL A 119 0.257 -1.744 5.515 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.703 -3.562 3.740 1.00 0.00 H new ATOM 0 HB VAL A 119 1.806 -1.851 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.403 -1.963 1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.728 -3.571 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.062 -3.100 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.301 -0.220 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.085 -1.285 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.175 -0.559 4.104 1.00 0.00 H new ATOM 1789 N GLN A 120 2.433 -4.295 4.546 1.00 0.00 N ATOM 1790 CA GLN A 120 3.417 -5.371 4.569 1.00 0.00 C ATOM 1791 C GLN A 120 2.851 -6.612 5.252 1.00 0.00 C ATOM 1792 O GLN A 120 2.826 -7.696 4.669 1.00 0.00 O ATOM 1793 CB GLN A 120 4.688 -4.914 5.287 1.00 0.00 C ATOM 1794 CG GLN A 120 5.510 -3.913 4.490 1.00 0.00 C ATOM 1795 CD GLN A 120 6.693 -3.377 5.272 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.584 -3.082 6.462 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.834 -3.248 4.604 1.00 0.00 N ATOM 0 H GLN A 120 2.757 -3.418 4.954 1.00 0.00 H new ATOM 0 HA GLN A 120 3.663 -5.626 3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.415 -4.468 6.243 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.305 -5.785 5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.868 -4.388 3.576 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.872 -3.082 4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.879 -3.505 3.618 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.665 -2.892 5.077 1.00 0.00 H new ATOM 1806 N ARG A 121 2.398 -6.445 6.490 1.00 0.00 N ATOM 1807 CA ARG A 121 1.834 -7.552 7.253 1.00 0.00 C ATOM 1808 C ARG A 121 0.806 -8.315 6.423 1.00 0.00 C ATOM 1809 O ARG A 121 0.983 -9.499 6.131 1.00 0.00 O ATOM 1810 CB ARG A 121 1.186 -7.035 8.538 1.00 0.00 C ATOM 1811 CG ARG A 121 0.485 -8.116 9.345 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.301 -7.526 10.504 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.354 -8.426 10.967 1.00 0.00 N ATOM 1814 CZ ARG A 121 -2.117 -8.181 12.026 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -1.946 -7.070 12.728 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -3.055 -9.049 12.384 1.00 0.00 N ATOM 0 H ARG A 121 2.410 -5.554 6.986 1.00 0.00 H new ATOM 0 HA ARG A 121 2.645 -8.233 7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.951 -6.569 9.159 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.465 -6.258 8.284 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.188 -8.677 8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.222 -8.822 9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.378 -7.308 11.329 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.743 -6.578 10.197 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.512 -9.290 10.449 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.227 -6.400 12.455 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.534 -6.885 13.541 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.190 -9.905 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.641 -8.860 13.197 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.270 -7.631 6.047 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.327 -8.245 5.251 1.00 0.00 C ATOM 1832 C HIS A 122 -0.762 -8.842 3.966 1.00 0.00 C ATOM 1833 O HIS A 122 -1.202 -9.899 3.516 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.407 -7.215 4.917 1.00 0.00 C ATOM 1835 CG HIS A 122 -2.939 -6.494 6.118 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.312 -7.139 7.278 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.157 -5.176 6.334 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -3.739 -6.249 8.156 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.655 -5.050 7.608 1.00 0.00 N ATOM 0 H HIS A 122 -0.433 -6.652 6.281 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.771 -9.048 5.839 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -1.998 -6.486 4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.231 -7.716 4.410 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.266 -8.146 7.434 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.974 -4.373 5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.096 -6.465 9.152 1.00 0.00 H new ATOM 1848 N ALA A 123 0.214 -8.156 3.380 1.00 0.00 N ATOM 1849 CA ALA A 123 0.839 -8.619 2.147 1.00 0.00 C ATOM 1850 C ALA A 123 1.021 -10.133 2.159 1.00 0.00 C ATOM 1851 O ALA A 123 0.834 -10.799 1.141 1.00 0.00 O ATOM 1852 CB ALA A 123 2.178 -7.926 1.942 1.00 0.00 C ATOM 0 H ALA A 123 0.589 -7.278 3.739 1.00 0.00 H new ATOM 0 HA ALA A 123 0.180 -8.365 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.634 -8.281 1.018 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.024 -6.849 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.836 -8.151 2.781 1.00 0.00 H new