USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 603 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 130 ASN : amide:sc= -0.196 X(o=-0.19,f=-0.1) USER MOD Set 1.2: A 137 GLN : amide:sc= 0.00176 X(o=-0.19,f=-0.1) USER MOD Single : A 73 SER OG : rot 31:sc= -0.393 USER MOD Single : A 79 ASN : amide:sc= -3.97! C(o=-4!,f=-5.8!) USER MOD Single : A 85 THR OG1 : rot -78:sc= 0.713 USER MOD Single : A 89 MET CE :methyl -177:sc= -0.512 (180deg=-0.531) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -1.33 (180deg=-1.99!) USER MOD Single : A 95 LYS NZ :NH3+ -164:sc= -0.013 (180deg=-0.165) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 159:sc= 1.01 (180deg=0.789) USER MOD Single : A 131 MET CE :methyl 172:sc= -0.43 (180deg=-0.544) USER MOD Single : A 136 LYS NZ :NH3+ 149:sc= -0.673 (180deg=-1.52!) USER MOD ----------------------------------------------------------------- ATOM 199 N SER A 73 -4.731 3.782 6.511 1.00 0.00 N ATOM 200 CA SER A 73 -3.311 3.637 6.214 1.00 0.00 C ATOM 201 C SER A 73 -3.102 2.817 4.945 1.00 0.00 C ATOM 202 O SER A 73 -2.116 2.090 4.817 1.00 0.00 O ATOM 203 CB SER A 73 -2.588 2.973 7.388 1.00 0.00 C ATOM 204 OG SER A 73 -2.610 3.804 8.536 1.00 0.00 O ATOM 0 HA SER A 73 -2.895 4.632 6.056 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.061 2.018 7.617 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.556 2.759 7.110 1.00 0.00 H new ATOM 0 HG SER A 73 -3.425 4.348 8.531 1.00 0.00 H new ATOM 210 N ARG A 74 -4.037 2.939 4.008 1.00 0.00 N ATOM 211 CA ARG A 74 -3.957 2.209 2.749 1.00 0.00 C ATOM 212 C ARG A 74 -2.970 2.877 1.795 1.00 0.00 C ATOM 213 O ARG A 74 -3.074 4.071 1.513 1.00 0.00 O ATOM 214 CB ARG A 74 -5.338 2.126 2.095 1.00 0.00 C ATOM 215 CG ARG A 74 -6.158 0.932 2.555 1.00 0.00 C ATOM 216 CD ARG A 74 -6.960 1.256 3.806 1.00 0.00 C ATOM 217 NE ARG A 74 -8.256 1.848 3.487 1.00 0.00 N ATOM 218 CZ ARG A 74 -9.110 2.286 4.406 1.00 0.00 C ATOM 219 NH1 ARG A 74 -8.806 2.199 5.693 1.00 0.00 N ATOM 220 NH2 ARG A 74 -10.270 2.813 4.037 1.00 0.00 N ATOM 0 H ARG A 74 -4.859 3.537 4.097 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.603 1.201 2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.890 3.041 2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.216 2.077 1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.834 0.625 1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.496 0.089 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.110 0.346 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.392 1.943 4.433 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.520 1.930 2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.915 1.795 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.463 2.536 6.396 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.507 2.882 3.047 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.925 3.149 4.743 1.00 0.00 H new ATOM 234 N LEU A 75 -2.014 2.098 1.302 1.00 0.00 N ATOM 235 CA LEU A 75 -1.007 2.613 0.380 1.00 0.00 C ATOM 236 C LEU A 75 -1.341 2.231 -1.059 1.00 0.00 C ATOM 237 O LEU A 75 -1.655 1.077 -1.349 1.00 0.00 O ATOM 238 CB LEU A 75 0.376 2.079 0.754 1.00 0.00 C ATOM 239 CG LEU A 75 1.079 2.788 1.912 1.00 0.00 C ATOM 240 CD1 LEU A 75 2.345 2.042 2.306 1.00 0.00 C ATOM 241 CD2 LEU A 75 1.401 4.228 1.538 1.00 0.00 C ATOM 0 H LEU A 75 -1.915 1.108 1.525 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.002 3.700 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.280 1.023 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.017 2.140 -0.126 1.00 0.00 H new ATOM 0 HG LEU A 75 0.406 2.797 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.831 2.562 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.089 1.029 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.023 2.000 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.901 4.718 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.055 4.240 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.478 4.759 1.306 1.00 0.00 H new ATOM 253 N PHE A 76 -1.267 3.208 -1.957 1.00 0.00 N ATOM 254 CA PHE A 76 -1.560 2.975 -3.366 1.00 0.00 C ATOM 255 C PHE A 76 -0.277 2.725 -4.154 1.00 0.00 C ATOM 256 O PHE A 76 0.564 3.614 -4.290 1.00 0.00 O ATOM 257 CB PHE A 76 -2.311 4.169 -3.957 1.00 0.00 C ATOM 258 CG PHE A 76 -2.690 3.985 -5.399 1.00 0.00 C ATOM 259 CD1 PHE A 76 -1.804 4.319 -6.410 1.00 0.00 C ATOM 260 CD2 PHE A 76 -3.933 3.477 -5.743 1.00 0.00 C ATOM 261 CE1 PHE A 76 -2.151 4.151 -7.738 1.00 0.00 C ATOM 262 CE2 PHE A 76 -4.285 3.306 -7.068 1.00 0.00 C ATOM 263 CZ PHE A 76 -3.392 3.643 -8.067 1.00 0.00 C ATOM 0 H PHE A 76 -1.007 4.169 -1.734 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.189 2.088 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.214 4.346 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.691 5.060 -3.864 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.831 4.715 -6.158 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.635 3.212 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.452 4.417 -8.517 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.257 2.909 -7.323 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.664 3.509 -9.104 1.00 0.00 H new ATOM 273 N VAL A 77 -0.134 1.509 -4.670 1.00 0.00 N ATOM 274 CA VAL A 77 1.045 1.141 -5.445 1.00 0.00 C ATOM 275 C VAL A 77 0.755 1.182 -6.941 1.00 0.00 C ATOM 276 O VAL A 77 -0.139 0.492 -7.429 1.00 0.00 O ATOM 277 CB VAL A 77 1.548 -0.265 -5.068 1.00 0.00 C ATOM 278 CG1 VAL A 77 2.926 -0.516 -5.662 1.00 0.00 C ATOM 279 CG2 VAL A 77 1.570 -0.436 -3.557 1.00 0.00 C ATOM 0 H VAL A 77 -0.820 0.761 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 77 1.819 1.871 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 77 0.860 -1.001 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.265 -1.514 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.874 -0.439 -6.748 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.628 0.225 -5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.928 -1.435 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.234 0.307 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.563 -0.303 -3.161 1.00 0.00 H new ATOM 289 N GLY A 78 1.517 1.996 -7.665 1.00 0.00 N ATOM 290 CA GLY A 78 1.326 2.111 -9.099 1.00 0.00 C ATOM 291 C GLY A 78 2.558 1.703 -9.882 1.00 0.00 C ATOM 292 O GLY A 78 3.626 1.496 -9.308 1.00 0.00 O ATOM 0 H GLY A 78 2.263 2.578 -7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.484 1.488 -9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.066 3.140 -9.347 1.00 0.00 H new ATOM 296 N ASN A 79 2.409 1.585 -11.198 1.00 0.00 N ATOM 297 CA ASN A 79 3.518 1.197 -12.061 1.00 0.00 C ATOM 298 C ASN A 79 4.048 -0.181 -11.678 1.00 0.00 C ATOM 299 O ASN A 79 5.256 -0.422 -11.699 1.00 0.00 O ATOM 300 CB ASN A 79 4.643 2.230 -11.978 1.00 0.00 C ATOM 301 CG ASN A 79 4.493 3.333 -13.008 1.00 0.00 C ATOM 302 OD1 ASN A 79 3.443 3.969 -13.105 1.00 0.00 O ATOM 303 ND2 ASN A 79 5.545 3.564 -13.784 1.00 0.00 N ATOM 0 H ASN A 79 1.531 1.753 -11.689 1.00 0.00 H new ATOM 0 HA ASN A 79 3.150 1.154 -13.086 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.657 2.668 -10.980 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.602 1.731 -12.121 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.503 4.293 -14.496 1.00 0.00 H new ATOM 0 HD22 ASN A 79 6.395 3.012 -13.668 1.00 0.00 H new ATOM 310 N LEU A 80 3.138 -1.083 -11.329 1.00 0.00 N ATOM 311 CA LEU A 80 3.514 -2.439 -10.941 1.00 0.00 C ATOM 312 C LEU A 80 3.911 -3.264 -12.161 1.00 0.00 C ATOM 313 O LEU A 80 3.308 -3.166 -13.230 1.00 0.00 O ATOM 314 CB LEU A 80 2.357 -3.119 -10.206 1.00 0.00 C ATOM 315 CG LEU A 80 2.140 -2.690 -8.754 1.00 0.00 C ATOM 316 CD1 LEU A 80 0.864 -3.306 -8.201 1.00 0.00 C ATOM 317 CD2 LEU A 80 3.336 -3.078 -7.898 1.00 0.00 C ATOM 0 H LEU A 80 2.135 -0.901 -11.306 1.00 0.00 H new ATOM 0 HA LEU A 80 4.373 -2.375 -10.273 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.438 -2.929 -10.761 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.524 -4.196 -10.225 1.00 0.00 H new ATOM 0 HG LEU A 80 2.037 -1.605 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.726 -2.990 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.013 -2.977 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.937 -4.393 -8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.163 -2.765 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.471 -4.159 -7.931 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.232 -2.589 -8.281 1.00 0.00 H new ATOM 329 N PRO A 81 4.948 -4.099 -11.999 1.00 0.00 N ATOM 330 CA PRO A 81 5.447 -4.959 -13.076 1.00 0.00 C ATOM 331 C PRO A 81 4.473 -6.080 -13.421 1.00 0.00 C ATOM 332 O PRO A 81 3.646 -6.489 -12.606 1.00 0.00 O ATOM 333 CB PRO A 81 6.742 -5.535 -12.498 1.00 0.00 C ATOM 334 CG PRO A 81 6.553 -5.485 -11.021 1.00 0.00 C ATOM 335 CD PRO A 81 5.713 -4.267 -10.752 1.00 0.00 C ATOM 0 HA PRO A 81 5.587 -4.408 -14.006 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.909 -6.556 -12.841 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.608 -4.949 -12.806 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.059 -6.387 -10.660 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.512 -5.419 -10.507 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.056 -4.413 -9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.329 -3.394 -10.537 1.00 0.00 H new ATOM 343 N PRO A 82 4.571 -6.591 -14.657 1.00 0.00 N ATOM 344 CA PRO A 82 3.706 -7.673 -15.137 1.00 0.00 C ATOM 345 C PRO A 82 4.011 -9.003 -14.458 1.00 0.00 C ATOM 346 O PRO A 82 3.310 -9.993 -14.668 1.00 0.00 O ATOM 347 CB PRO A 82 4.031 -7.749 -16.632 1.00 0.00 C ATOM 348 CG PRO A 82 5.413 -7.205 -16.748 1.00 0.00 C ATOM 349 CD PRO A 82 5.534 -6.152 -15.681 1.00 0.00 C ATOM 0 HA PRO A 82 2.655 -7.480 -14.924 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.977 -8.775 -16.997 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.325 -7.164 -17.221 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.155 -7.991 -16.607 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.583 -6.780 -17.737 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.547 -6.098 -15.283 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.289 -5.161 -16.064 1.00 0.00 H new ATOM 357 N ASP A 83 5.059 -9.020 -13.643 1.00 0.00 N ATOM 358 CA ASP A 83 5.456 -10.229 -12.930 1.00 0.00 C ATOM 359 C ASP A 83 5.223 -10.077 -11.430 1.00 0.00 C ATOM 360 O ASP A 83 5.975 -10.616 -10.618 1.00 0.00 O ATOM 361 CB ASP A 83 6.927 -10.547 -13.201 1.00 0.00 C ATOM 362 CG ASP A 83 7.129 -11.279 -14.513 1.00 0.00 C ATOM 363 OD1 ASP A 83 6.371 -11.007 -15.468 1.00 0.00 O ATOM 364 OD2 ASP A 83 8.046 -12.124 -14.585 1.00 0.00 O ATOM 0 H ASP A 83 5.650 -8.209 -13.459 1.00 0.00 H new ATOM 0 HA ASP A 83 4.842 -11.053 -13.293 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.500 -9.620 -13.214 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.321 -11.154 -12.385 1.00 0.00 H new ATOM 369 N ILE A 84 4.178 -9.340 -11.071 1.00 0.00 N ATOM 370 CA ILE A 84 3.847 -9.117 -9.669 1.00 0.00 C ATOM 371 C ILE A 84 2.613 -9.917 -9.262 1.00 0.00 C ATOM 372 O ILE A 84 1.564 -9.829 -9.900 1.00 0.00 O ATOM 373 CB ILE A 84 3.596 -7.626 -9.379 1.00 0.00 C ATOM 374 CG1 ILE A 84 3.298 -7.415 -7.893 1.00 0.00 C ATOM 375 CG2 ILE A 84 2.450 -7.105 -10.234 1.00 0.00 C ATOM 376 CD1 ILE A 84 4.536 -7.190 -7.054 1.00 0.00 C ATOM 0 H ILE A 84 3.546 -8.887 -11.731 1.00 0.00 H new ATOM 0 HA ILE A 84 4.704 -9.452 -9.086 1.00 0.00 H new ATOM 0 HB ILE A 84 4.496 -7.066 -9.632 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.633 -6.558 -7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.763 -8.285 -7.511 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.285 -6.050 -10.017 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.699 -7.224 -11.288 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.544 -7.667 -10.010 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.249 -7.048 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.192 -8.056 -7.134 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.060 -6.303 -7.410 1.00 0.00 H new ATOM 388 N THR A 85 2.746 -10.696 -8.193 1.00 0.00 N ATOM 389 CA THR A 85 1.643 -11.511 -7.699 1.00 0.00 C ATOM 390 C THR A 85 1.434 -11.305 -6.203 1.00 0.00 C ATOM 391 O THR A 85 2.272 -10.710 -5.527 1.00 0.00 O ATOM 392 CB THR A 85 1.885 -13.007 -7.971 1.00 0.00 C ATOM 393 OG1 THR A 85 3.017 -13.465 -7.224 1.00 0.00 O ATOM 394 CG2 THR A 85 2.115 -13.257 -9.454 1.00 0.00 C ATOM 0 H THR A 85 3.607 -10.780 -7.653 1.00 0.00 H new ATOM 0 HA THR A 85 0.749 -11.192 -8.235 1.00 0.00 H new ATOM 0 HB THR A 85 0.998 -13.558 -7.659 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.841 -13.186 -7.675 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.284 -14.321 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.239 -12.935 -10.017 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.987 -12.694 -9.787 1.00 0.00 H new ATOM 402 N GLU A 86 0.312 -11.802 -5.693 1.00 0.00 N ATOM 403 CA GLU A 86 -0.006 -11.672 -4.276 1.00 0.00 C ATOM 404 C GLU A 86 1.206 -12.013 -3.413 1.00 0.00 C ATOM 405 O GLU A 86 1.425 -11.406 -2.366 1.00 0.00 O ATOM 406 CB GLU A 86 -1.180 -12.582 -3.908 1.00 0.00 C ATOM 407 CG GLU A 86 -2.024 -12.052 -2.761 1.00 0.00 C ATOM 408 CD GLU A 86 -3.204 -12.950 -2.442 1.00 0.00 C ATOM 409 OE1 GLU A 86 -3.069 -14.182 -2.591 1.00 0.00 O ATOM 410 OE2 GLU A 86 -4.261 -12.419 -2.042 1.00 0.00 O ATOM 0 H GLU A 86 -0.392 -12.298 -6.240 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.286 -10.636 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.815 -12.714 -4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.796 -13.566 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.400 -11.949 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.388 -11.056 -3.013 1.00 0.00 H new ATOM 417 N GLU A 87 1.989 -12.989 -3.862 1.00 0.00 N ATOM 418 CA GLU A 87 3.178 -13.412 -3.131 1.00 0.00 C ATOM 419 C GLU A 87 4.219 -12.297 -3.094 1.00 0.00 C ATOM 420 O GLU A 87 4.592 -11.819 -2.024 1.00 0.00 O ATOM 421 CB GLU A 87 3.779 -14.665 -3.771 1.00 0.00 C ATOM 422 CG GLU A 87 3.169 -15.961 -3.261 1.00 0.00 C ATOM 423 CD GLU A 87 3.105 -16.020 -1.748 1.00 0.00 C ATOM 424 OE1 GLU A 87 4.140 -16.328 -1.121 1.00 0.00 O ATOM 425 OE2 GLU A 87 2.019 -15.756 -1.190 1.00 0.00 O ATOM 0 H GLU A 87 1.822 -13.501 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 87 2.881 -13.643 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.645 -14.611 -4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.853 -14.680 -3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.164 -16.070 -3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.755 -16.803 -3.629 1.00 0.00 H new ATOM 432 N GLU A 88 4.683 -11.890 -4.271 1.00 0.00 N ATOM 433 CA GLU A 88 5.683 -10.833 -4.373 1.00 0.00 C ATOM 434 C GLU A 88 5.373 -9.696 -3.403 1.00 0.00 C ATOM 435 O GLU A 88 6.238 -9.264 -2.641 1.00 0.00 O ATOM 436 CB GLU A 88 5.743 -10.295 -5.804 1.00 0.00 C ATOM 437 CG GLU A 88 6.548 -11.170 -6.750 1.00 0.00 C ATOM 438 CD GLU A 88 6.272 -12.648 -6.554 1.00 0.00 C ATOM 439 OE1 GLU A 88 6.560 -13.164 -5.454 1.00 0.00 O ATOM 440 OE2 GLU A 88 5.768 -13.288 -7.500 1.00 0.00 O ATOM 0 H GLU A 88 4.383 -12.275 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 88 6.652 -11.257 -4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.728 -10.196 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.177 -9.295 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.317 -10.894 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.611 -10.979 -6.600 1.00 0.00 H new ATOM 447 N MET A 89 4.134 -9.217 -3.438 1.00 0.00 N ATOM 448 CA MET A 89 3.710 -8.131 -2.562 1.00 0.00 C ATOM 449 C MET A 89 3.934 -8.495 -1.098 1.00 0.00 C ATOM 450 O MET A 89 4.641 -7.792 -0.375 1.00 0.00 O ATOM 451 CB MET A 89 2.234 -7.804 -2.798 1.00 0.00 C ATOM 452 CG MET A 89 1.879 -6.355 -2.504 1.00 0.00 C ATOM 453 SD MET A 89 2.077 -5.286 -3.943 1.00 0.00 S ATOM 454 CE MET A 89 0.997 -3.926 -3.505 1.00 0.00 C ATOM 0 H MET A 89 3.406 -9.563 -4.063 1.00 0.00 H new ATOM 0 HA MET A 89 4.311 -7.253 -2.796 1.00 0.00 H new ATOM 0 HB2 MET A 89 1.982 -8.028 -3.834 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.622 -8.454 -2.173 1.00 0.00 H new ATOM 0 HG2 MET A 89 0.848 -6.301 -2.155 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.509 -5.988 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.970 -3.205 -4.322 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.009 -4.304 -3.322 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.371 -3.440 -2.604 1.00 0.00 H new ATOM 464 N ARG A 90 3.329 -9.597 -0.667 1.00 0.00 N ATOM 465 CA ARG A 90 3.462 -10.053 0.711 1.00 0.00 C ATOM 466 C ARG A 90 4.920 -10.018 1.157 1.00 0.00 C ATOM 467 O ARG A 90 5.216 -9.829 2.337 1.00 0.00 O ATOM 468 CB ARG A 90 2.906 -11.470 0.858 1.00 0.00 C ATOM 469 CG ARG A 90 2.468 -11.809 2.274 1.00 0.00 C ATOM 470 CD ARG A 90 1.669 -13.103 2.315 1.00 0.00 C ATOM 471 NE ARG A 90 2.529 -14.272 2.474 1.00 0.00 N ATOM 472 CZ ARG A 90 3.097 -14.616 3.625 1.00 0.00 C ATOM 473 NH1 ARG A 90 2.897 -13.884 4.712 1.00 0.00 N ATOM 474 NH2 ARG A 90 3.867 -15.695 3.690 1.00 0.00 N ATOM 0 H ARG A 90 2.742 -10.191 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 90 2.889 -9.378 1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.056 -11.589 0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.666 -12.184 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.345 -11.901 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.864 -10.994 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.956 -13.063 3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.090 -13.201 1.397 1.00 0.00 H new ATOM 0 HE ARG A 90 2.703 -14.857 1.657 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.306 -13.054 4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.334 -14.151 5.594 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.023 -16.261 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.303 -15.958 4.574 1.00 0.00 H new ATOM 488 N LYS A 91 5.829 -10.203 0.206 1.00 0.00 N ATOM 489 CA LYS A 91 7.257 -10.193 0.498 1.00 0.00 C ATOM 490 C LYS A 91 7.802 -8.768 0.499 1.00 0.00 C ATOM 491 O LYS A 91 8.664 -8.422 1.309 1.00 0.00 O ATOM 492 CB LYS A 91 8.015 -11.040 -0.527 1.00 0.00 C ATOM 493 CG LYS A 91 9.319 -11.612 0.002 1.00 0.00 C ATOM 494 CD LYS A 91 9.103 -12.950 0.689 1.00 0.00 C ATOM 495 CE LYS A 91 9.156 -14.101 -0.304 1.00 0.00 C ATOM 496 NZ LYS A 91 7.993 -14.086 -1.234 1.00 0.00 N ATOM 0 H LYS A 91 5.601 -10.362 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 91 7.402 -10.620 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.375 -11.859 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.225 -10.430 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.024 -11.734 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.767 -10.909 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.865 -13.094 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.138 -12.949 1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.081 -14.043 -0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.176 -15.047 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.883 -15.025 -1.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.130 -13.844 -0.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.153 -13.378 -1.979 1.00 0.00 H new ATOM 510 N LEU A 92 7.295 -7.945 -0.412 1.00 0.00 N ATOM 511 CA LEU A 92 7.730 -6.557 -0.516 1.00 0.00 C ATOM 512 C LEU A 92 7.478 -5.808 0.789 1.00 0.00 C ATOM 513 O LEU A 92 8.285 -4.977 1.205 1.00 0.00 O ATOM 514 CB LEU A 92 7.002 -5.858 -1.666 1.00 0.00 C ATOM 515 CG LEU A 92 7.505 -6.182 -3.074 1.00 0.00 C ATOM 516 CD1 LEU A 92 6.530 -5.666 -4.121 1.00 0.00 C ATOM 517 CD2 LEU A 92 8.890 -5.591 -3.294 1.00 0.00 C ATOM 0 H LEU A 92 6.582 -8.215 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 92 8.802 -6.552 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.945 -6.117 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.075 -4.781 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 92 7.574 -7.265 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.904 -5.906 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.558 -6.137 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.428 -4.585 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.232 -5.831 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.847 -4.508 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.584 -6.010 -2.565 1.00 0.00 H new ATOM 529 N PHE A 93 6.355 -6.111 1.431 1.00 0.00 N ATOM 530 CA PHE A 93 5.997 -5.468 2.690 1.00 0.00 C ATOM 531 C PHE A 93 6.194 -6.423 3.864 1.00 0.00 C ATOM 532 O PHE A 93 5.450 -6.380 4.843 1.00 0.00 O ATOM 533 CB PHE A 93 4.545 -4.987 2.647 1.00 0.00 C ATOM 534 CG PHE A 93 4.301 -3.909 1.631 1.00 0.00 C ATOM 535 CD1 PHE A 93 4.453 -4.167 0.278 1.00 0.00 C ATOM 536 CD2 PHE A 93 3.918 -2.638 2.027 1.00 0.00 C ATOM 537 CE1 PHE A 93 4.230 -3.176 -0.660 1.00 0.00 C ATOM 538 CE2 PHE A 93 3.693 -1.643 1.094 1.00 0.00 C ATOM 539 CZ PHE A 93 3.848 -1.913 -0.251 1.00 0.00 C ATOM 0 H PHE A 93 5.677 -6.798 1.100 1.00 0.00 H new ATOM 0 HA PHE A 93 6.653 -4.609 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.896 -5.835 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.264 -4.616 3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.749 -5.153 -0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.794 -2.422 3.078 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.354 -3.389 -1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.396 -0.656 1.417 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.671 -1.138 -0.982 1.00 0.00 H new ATOM 549 N GLU A 94 7.201 -7.284 3.756 1.00 0.00 N ATOM 550 CA GLU A 94 7.495 -8.250 4.808 1.00 0.00 C ATOM 551 C GLU A 94 8.166 -7.572 5.999 1.00 0.00 C ATOM 552 O GLU A 94 7.870 -7.882 7.153 1.00 0.00 O ATOM 553 CB GLU A 94 8.394 -9.365 4.270 1.00 0.00 C ATOM 554 CG GLU A 94 9.874 -9.024 4.304 1.00 0.00 C ATOM 555 CD GLU A 94 10.706 -9.945 3.433 1.00 0.00 C ATOM 556 OE1 GLU A 94 10.768 -11.154 3.739 1.00 0.00 O ATOM 557 OE2 GLU A 94 11.295 -9.457 2.446 1.00 0.00 O ATOM 0 H GLU A 94 7.826 -7.332 2.952 1.00 0.00 H new ATOM 0 HA GLU A 94 6.552 -8.682 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.225 -10.270 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.105 -9.589 3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.013 -7.995 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.232 -9.081 5.332 1.00 0.00 H new ATOM 564 N LYS A 95 9.071 -6.643 5.710 1.00 0.00 N ATOM 565 CA LYS A 95 9.784 -5.918 6.755 1.00 0.00 C ATOM 566 C LYS A 95 8.811 -5.172 7.662 1.00 0.00 C ATOM 567 O LYS A 95 9.144 -4.824 8.795 1.00 0.00 O ATOM 568 CB LYS A 95 10.777 -4.933 6.135 1.00 0.00 C ATOM 569 CG LYS A 95 11.695 -4.274 7.150 1.00 0.00 C ATOM 570 CD LYS A 95 12.109 -2.881 6.706 1.00 0.00 C ATOM 571 CE LYS A 95 13.162 -2.935 5.610 1.00 0.00 C ATOM 572 NZ LYS A 95 14.478 -3.402 6.127 1.00 0.00 N ATOM 0 H LYS A 95 9.328 -6.374 4.760 1.00 0.00 H new ATOM 0 HA LYS A 95 10.330 -6.644 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.383 -5.458 5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 95 10.224 -4.160 5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.190 -4.214 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.583 -4.890 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 95 11.235 -2.338 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.499 -2.327 7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 95 12.826 -3.602 4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.276 -1.946 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.223 -3.173 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 14.684 -2.929 7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.448 -4.431 6.274 1.00 0.00 H new ATOM 586 N TYR A 96 7.606 -4.930 7.156 1.00 0.00 N ATOM 587 CA TYR A 96 6.584 -4.224 7.920 1.00 0.00 C ATOM 588 C TYR A 96 5.492 -5.182 8.385 1.00 0.00 C ATOM 589 O TYR A 96 4.415 -4.759 8.803 1.00 0.00 O ATOM 590 CB TYR A 96 5.971 -3.104 7.078 1.00 0.00 C ATOM 591 CG TYR A 96 6.933 -2.502 6.079 1.00 0.00 C ATOM 592 CD1 TYR A 96 7.943 -1.641 6.489 1.00 0.00 C ATOM 593 CD2 TYR A 96 6.831 -2.794 4.724 1.00 0.00 C ATOM 594 CE1 TYR A 96 8.823 -1.087 5.580 1.00 0.00 C ATOM 595 CE2 TYR A 96 7.708 -2.246 3.808 1.00 0.00 C ATOM 596 CZ TYR A 96 8.702 -1.393 4.240 1.00 0.00 C ATOM 597 OH TYR A 96 9.578 -0.845 3.331 1.00 0.00 O ATOM 0 H TYR A 96 7.314 -5.212 6.221 1.00 0.00 H new ATOM 0 HA TYR A 96 7.059 -3.790 8.800 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.104 -3.494 6.545 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.610 -2.318 7.741 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.042 -1.400 7.537 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.053 -3.460 4.381 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.601 -0.418 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.616 -2.484 2.759 1.00 0.00 H new ATOM 0 HH TYR A 96 9.356 -1.163 2.431 1.00 0.00 H new ATOM 607 N GLY A 97 5.780 -6.478 8.310 1.00 0.00 N ATOM 608 CA GLY A 97 4.814 -7.478 8.726 1.00 0.00 C ATOM 609 C GLY A 97 3.892 -7.898 7.599 1.00 0.00 C ATOM 610 O GLY A 97 4.219 -7.732 6.424 1.00 0.00 O ATOM 0 H GLY A 97 6.665 -6.853 7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.342 -8.353 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.219 -7.083 9.550 1.00 0.00 H new ATOM 614 N LYS A 98 2.735 -8.447 7.956 1.00 0.00 N ATOM 615 CA LYS A 98 1.762 -8.893 6.967 1.00 0.00 C ATOM 616 C LYS A 98 0.674 -7.844 6.761 1.00 0.00 C ATOM 617 O LYS A 98 0.116 -7.318 7.724 1.00 0.00 O ATOM 618 CB LYS A 98 1.131 -10.218 7.403 1.00 0.00 C ATOM 619 CG LYS A 98 2.087 -11.397 7.339 1.00 0.00 C ATOM 620 CD LYS A 98 1.510 -12.620 8.032 1.00 0.00 C ATOM 621 CE LYS A 98 1.809 -12.609 9.523 1.00 0.00 C ATOM 622 NZ LYS A 98 1.097 -13.703 10.240 1.00 0.00 N ATOM 0 H LYS A 98 2.449 -8.593 8.924 1.00 0.00 H new ATOM 0 HA LYS A 98 2.284 -9.039 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.761 -10.116 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.268 -10.426 6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.303 -11.636 6.298 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.033 -11.125 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.432 -12.653 7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.924 -13.523 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.883 -12.712 9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.516 -11.648 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.327 -13.661 11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.071 -13.591 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.395 -14.622 9.855 1.00 0.00 H new ATOM 636 N ALA A 99 0.377 -7.545 5.501 1.00 0.00 N ATOM 637 CA ALA A 99 -0.646 -6.561 5.170 1.00 0.00 C ATOM 638 C ALA A 99 -2.043 -7.158 5.296 1.00 0.00 C ATOM 639 O ALA A 99 -2.295 -8.274 4.842 1.00 0.00 O ATOM 640 CB ALA A 99 -0.425 -6.022 3.764 1.00 0.00 C ATOM 0 H ALA A 99 0.830 -7.970 4.692 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.566 -5.738 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.196 -5.288 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.555 -5.549 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.476 -6.842 3.048 1.00 0.00 H new ATOM 646 N GLY A 100 -2.949 -6.408 5.916 1.00 0.00 N ATOM 647 CA GLY A 100 -4.310 -6.881 6.092 1.00 0.00 C ATOM 648 C GLY A 100 -5.024 -7.095 4.772 1.00 0.00 C ATOM 649 O GLY A 100 -5.804 -8.035 4.627 1.00 0.00 O ATOM 0 H GLY A 100 -2.765 -5.481 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.297 -7.817 6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.867 -6.160 6.691 1.00 0.00 H new ATOM 653 N GLU A 101 -4.758 -6.219 3.808 1.00 0.00 N ATOM 654 CA GLU A 101 -5.383 -6.316 2.494 1.00 0.00 C ATOM 655 C GLU A 101 -4.339 -6.223 1.386 1.00 0.00 C ATOM 656 O GLU A 101 -3.486 -5.336 1.394 1.00 0.00 O ATOM 657 CB GLU A 101 -6.428 -5.212 2.320 1.00 0.00 C ATOM 658 CG GLU A 101 -7.442 -5.501 1.225 1.00 0.00 C ATOM 659 CD GLU A 101 -8.633 -6.293 1.728 1.00 0.00 C ATOM 660 OE1 GLU A 101 -8.421 -7.341 2.372 1.00 0.00 O ATOM 661 OE2 GLU A 101 -9.779 -5.863 1.478 1.00 0.00 O ATOM 0 H GLU A 101 -4.114 -5.435 3.912 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.875 -7.286 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -6.955 -5.070 3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -5.920 -4.274 2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.790 -4.560 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.956 -6.054 0.421 1.00 0.00 H new ATOM 668 N VAL A 102 -4.412 -7.147 0.433 1.00 0.00 N ATOM 669 CA VAL A 102 -3.474 -7.170 -0.683 1.00 0.00 C ATOM 670 C VAL A 102 -4.191 -7.452 -1.998 1.00 0.00 C ATOM 671 O VAL A 102 -4.670 -8.562 -2.231 1.00 0.00 O ATOM 672 CB VAL A 102 -2.377 -8.230 -0.472 1.00 0.00 C ATOM 673 CG1 VAL A 102 -1.535 -8.385 -1.730 1.00 0.00 C ATOM 674 CG2 VAL A 102 -1.506 -7.865 0.721 1.00 0.00 C ATOM 0 H VAL A 102 -5.111 -7.889 0.412 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.012 -6.184 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.856 -9.187 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.765 -9.138 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.172 -8.696 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.064 -7.432 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.736 -8.625 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.035 -6.898 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.122 -7.810 1.618 1.00 0.00 H new ATOM 684 N PHE A 103 -4.262 -6.439 -2.856 1.00 0.00 N ATOM 685 CA PHE A 103 -4.922 -6.578 -4.149 1.00 0.00 C ATOM 686 C PHE A 103 -4.025 -6.071 -5.275 1.00 0.00 C ATOM 687 O PHE A 103 -3.392 -5.022 -5.153 1.00 0.00 O ATOM 688 CB PHE A 103 -6.247 -5.812 -4.154 1.00 0.00 C ATOM 689 CG PHE A 103 -7.350 -6.517 -3.417 1.00 0.00 C ATOM 690 CD1 PHE A 103 -7.270 -6.714 -2.048 1.00 0.00 C ATOM 691 CD2 PHE A 103 -8.466 -6.982 -4.094 1.00 0.00 C ATOM 692 CE1 PHE A 103 -8.283 -7.363 -1.368 1.00 0.00 C ATOM 693 CE2 PHE A 103 -9.482 -7.632 -3.419 1.00 0.00 C ATOM 694 CZ PHE A 103 -9.391 -7.822 -2.054 1.00 0.00 C ATOM 0 H PHE A 103 -3.871 -5.514 -2.679 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.121 -7.637 -4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.092 -4.830 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.558 -5.647 -5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -6.407 -6.357 -1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.543 -6.835 -5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.209 -7.511 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -10.346 -7.991 -3.958 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.184 -8.328 -1.524 1.00 0.00 H new ATOM 704 N ILE A 104 -3.975 -6.824 -6.368 1.00 0.00 N ATOM 705 CA ILE A 104 -3.157 -6.452 -7.515 1.00 0.00 C ATOM 706 C ILE A 104 -3.920 -6.645 -8.821 1.00 0.00 C ATOM 707 O ILE A 104 -4.330 -7.757 -9.155 1.00 0.00 O ATOM 708 CB ILE A 104 -1.855 -7.274 -7.568 1.00 0.00 C ATOM 709 CG1 ILE A 104 -1.001 -6.997 -6.329 1.00 0.00 C ATOM 710 CG2 ILE A 104 -1.078 -6.954 -8.837 1.00 0.00 C ATOM 711 CD1 ILE A 104 0.156 -7.958 -6.166 1.00 0.00 C ATOM 0 H ILE A 104 -4.492 -7.696 -6.483 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.907 -5.398 -7.396 1.00 0.00 H new ATOM 0 HB ILE A 104 -2.111 -8.333 -7.580 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.613 -5.980 -6.385 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.633 -7.049 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.161 -7.542 -8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.687 -7.197 -9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -0.829 -5.893 -8.853 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.718 -7.702 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.226 -8.975 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.811 -7.890 -7.035 1.00 0.00 H new ATOM 723 N HIS A 105 -4.106 -5.554 -9.558 1.00 0.00 N ATOM 724 CA HIS A 105 -4.818 -5.604 -10.830 1.00 0.00 C ATOM 725 C HIS A 105 -3.858 -5.395 -11.998 1.00 0.00 C ATOM 726 O HIS A 105 -3.274 -4.323 -12.152 1.00 0.00 O ATOM 727 CB HIS A 105 -5.919 -4.543 -10.864 1.00 0.00 C ATOM 728 CG HIS A 105 -7.041 -4.874 -11.799 1.00 0.00 C ATOM 729 ND1 HIS A 105 -7.773 -3.915 -12.466 1.00 0.00 N ATOM 730 CD2 HIS A 105 -7.554 -6.068 -12.178 1.00 0.00 C ATOM 731 CE1 HIS A 105 -8.689 -4.504 -13.213 1.00 0.00 C ATOM 732 NE2 HIS A 105 -8.577 -5.810 -13.058 1.00 0.00 N ATOM 0 H HIS A 105 -3.774 -4.626 -9.296 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.271 -6.591 -10.926 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.320 -4.415 -9.859 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -5.483 -3.588 -11.157 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.221 -7.042 -11.850 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.408 -4.002 -13.844 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.156 -6.513 -13.517 1.00 0.00 H new ATOM 740 N LYS A 106 -3.700 -6.428 -12.819 1.00 0.00 N ATOM 741 CA LYS A 106 -2.813 -6.359 -13.974 1.00 0.00 C ATOM 742 C LYS A 106 -3.511 -5.699 -15.159 1.00 0.00 C ATOM 743 O LYS A 106 -2.908 -4.908 -15.885 1.00 0.00 O ATOM 744 CB LYS A 106 -2.340 -7.762 -14.364 1.00 0.00 C ATOM 745 CG LYS A 106 -3.471 -8.701 -14.745 1.00 0.00 C ATOM 746 CD LYS A 106 -2.945 -10.051 -15.203 1.00 0.00 C ATOM 747 CE LYS A 106 -4.002 -10.830 -15.970 1.00 0.00 C ATOM 748 NZ LYS A 106 -4.907 -11.583 -15.058 1.00 0.00 N ATOM 0 H LYS A 106 -4.175 -7.323 -12.706 1.00 0.00 H new ATOM 0 HA LYS A 106 -1.949 -5.753 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -1.647 -7.683 -15.202 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -1.785 -8.194 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -4.134 -8.839 -13.891 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.065 -8.252 -15.541 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -2.069 -9.906 -15.835 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -2.622 -10.629 -14.337 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.590 -10.142 -16.578 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.516 -11.525 -16.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.613 -12.101 -15.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.350 -12.257 -14.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -5.391 -10.918 -14.422 1.00 0.00 H new ATOM 762 N ASP A 107 -4.784 -6.028 -15.347 1.00 0.00 N ATOM 763 CA ASP A 107 -5.565 -5.465 -16.442 1.00 0.00 C ATOM 764 C ASP A 107 -5.359 -3.956 -16.538 1.00 0.00 C ATOM 765 O ASP A 107 -5.114 -3.419 -17.618 1.00 0.00 O ATOM 766 CB ASP A 107 -7.050 -5.777 -16.251 1.00 0.00 C ATOM 767 CG ASP A 107 -7.931 -5.029 -17.232 1.00 0.00 C ATOM 768 OD1 ASP A 107 -7.888 -3.780 -17.235 1.00 0.00 O ATOM 769 OD2 ASP A 107 -8.661 -5.691 -17.998 1.00 0.00 O ATOM 0 H ASP A 107 -5.297 -6.682 -14.755 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.222 -5.921 -17.371 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.211 -6.849 -16.367 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.344 -5.519 -15.234 1.00 0.00 H new ATOM 774 N LYS A 108 -5.459 -3.277 -15.400 1.00 0.00 N ATOM 775 CA LYS A 108 -5.283 -1.831 -15.354 1.00 0.00 C ATOM 776 C LYS A 108 -3.864 -1.469 -14.928 1.00 0.00 C ATOM 777 O LYS A 108 -3.375 -0.380 -15.227 1.00 0.00 O ATOM 778 CB LYS A 108 -6.292 -1.204 -14.388 1.00 0.00 C ATOM 779 CG LYS A 108 -7.740 -1.455 -14.774 1.00 0.00 C ATOM 780 CD LYS A 108 -8.178 -0.548 -15.912 1.00 0.00 C ATOM 781 CE LYS A 108 -8.244 0.907 -15.472 1.00 0.00 C ATOM 782 NZ LYS A 108 -8.866 1.773 -16.511 1.00 0.00 N ATOM 0 H LYS A 108 -5.661 -3.706 -14.497 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.455 -1.437 -16.356 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.118 -1.599 -13.387 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.118 -0.129 -14.341 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.864 -2.497 -15.070 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.382 -1.291 -13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.482 -0.646 -16.745 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.156 -0.864 -16.275 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.816 0.981 -14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.238 1.266 -15.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.892 2.756 -16.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.306 1.722 -17.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.835 1.446 -16.701 1.00 0.00 H new ATOM 796 N GLY A 109 -3.207 -2.390 -14.230 1.00 0.00 N ATOM 797 CA GLY A 109 -1.850 -2.149 -13.776 1.00 0.00 C ATOM 798 C GLY A 109 -1.801 -1.305 -12.518 1.00 0.00 C ATOM 799 O GLY A 109 -1.117 -0.282 -12.474 1.00 0.00 O ATOM 0 H GLY A 109 -3.590 -3.299 -13.971 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.358 -3.103 -13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.289 -1.651 -14.566 1.00 0.00 H new ATOM 803 N PHE A 110 -2.527 -1.734 -11.491 1.00 0.00 N ATOM 804 CA PHE A 110 -2.566 -1.009 -10.226 1.00 0.00 C ATOM 805 C PHE A 110 -2.934 -1.942 -9.076 1.00 0.00 C ATOM 806 O PHE A 110 -3.692 -2.895 -9.253 1.00 0.00 O ATOM 807 CB PHE A 110 -3.570 0.143 -10.305 1.00 0.00 C ATOM 808 CG PHE A 110 -3.072 1.319 -11.096 1.00 0.00 C ATOM 809 CD1 PHE A 110 -1.959 2.030 -10.680 1.00 0.00 C ATOM 810 CD2 PHE A 110 -3.718 1.712 -12.258 1.00 0.00 C ATOM 811 CE1 PHE A 110 -1.500 3.113 -11.406 1.00 0.00 C ATOM 812 CE2 PHE A 110 -3.263 2.793 -12.988 1.00 0.00 C ATOM 813 CZ PHE A 110 -2.152 3.494 -12.562 1.00 0.00 C ATOM 0 H PHE A 110 -3.096 -2.580 -11.510 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.572 -0.603 -10.037 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.494 -0.221 -10.754 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.814 0.472 -9.295 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.444 1.735 -9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.587 1.167 -12.596 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.632 3.661 -11.069 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.776 3.090 -13.891 1.00 0.00 H new ATOM 0 HZ PHE A 110 -1.794 4.339 -13.132 1.00 0.00 H new ATOM 823 N GLY A 111 -2.391 -1.659 -7.896 1.00 0.00 N ATOM 824 CA GLY A 111 -2.673 -2.482 -6.734 1.00 0.00 C ATOM 825 C GLY A 111 -2.726 -1.675 -5.452 1.00 0.00 C ATOM 826 O GLY A 111 -2.210 -0.559 -5.390 1.00 0.00 O ATOM 0 H GLY A 111 -1.761 -0.875 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -3.625 -2.994 -6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.907 -3.252 -6.644 1.00 0.00 H new ATOM 830 N PHE A 112 -3.352 -2.239 -4.425 1.00 0.00 N ATOM 831 CA PHE A 112 -3.473 -1.564 -3.138 1.00 0.00 C ATOM 832 C PHE A 112 -3.061 -2.489 -1.997 1.00 0.00 C ATOM 833 O PHE A 112 -3.269 -3.702 -2.061 1.00 0.00 O ATOM 834 CB PHE A 112 -4.910 -1.081 -2.925 1.00 0.00 C ATOM 835 CG PHE A 112 -5.516 -0.447 -4.144 1.00 0.00 C ATOM 836 CD1 PHE A 112 -5.850 -1.216 -5.247 1.00 0.00 C ATOM 837 CD2 PHE A 112 -5.752 0.917 -4.187 1.00 0.00 C ATOM 838 CE1 PHE A 112 -6.409 -0.637 -6.370 1.00 0.00 C ATOM 839 CE2 PHE A 112 -6.311 1.503 -5.307 1.00 0.00 C ATOM 840 CZ PHE A 112 -6.639 0.725 -6.401 1.00 0.00 C ATOM 0 H PHE A 112 -3.784 -3.162 -4.459 1.00 0.00 H new ATOM 0 HA PHE A 112 -2.804 -0.703 -3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.527 -1.926 -2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -4.926 -0.362 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.671 -2.281 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.496 1.530 -3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.666 -1.248 -7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -6.491 2.568 -5.327 1.00 0.00 H new ATOM 0 HZ PHE A 112 -7.074 1.181 -7.278 1.00 0.00 H new ATOM 850 N ILE A 113 -2.476 -1.909 -0.955 1.00 0.00 N ATOM 851 CA ILE A 113 -2.035 -2.681 0.201 1.00 0.00 C ATOM 852 C ILE A 113 -2.455 -2.009 1.504 1.00 0.00 C ATOM 853 O ILE A 113 -2.256 -0.808 1.686 1.00 0.00 O ATOM 854 CB ILE A 113 -0.507 -2.869 0.202 1.00 0.00 C ATOM 855 CG1 ILE A 113 -0.117 -4.048 1.096 1.00 0.00 C ATOM 856 CG2 ILE A 113 0.183 -1.595 0.665 1.00 0.00 C ATOM 857 CD1 ILE A 113 1.207 -4.677 0.723 1.00 0.00 C ATOM 0 H ILE A 113 -2.296 -0.907 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.513 -3.658 0.129 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.182 -3.086 -0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.070 -3.709 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.898 -4.807 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.263 -1.744 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.074 -0.777 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.145 -1.350 1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.419 -5.506 1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.158 -5.047 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.999 -3.932 0.802 1.00 0.00 H new ATOM 869 N ARG A 114 -3.035 -2.792 2.407 1.00 0.00 N ATOM 870 CA ARG A 114 -3.482 -2.273 3.694 1.00 0.00 C ATOM 871 C ARG A 114 -2.700 -2.911 4.839 1.00 0.00 C ATOM 872 O ARG A 114 -2.780 -4.120 5.061 1.00 0.00 O ATOM 873 CB ARG A 114 -4.979 -2.529 3.879 1.00 0.00 C ATOM 874 CG ARG A 114 -5.514 -2.064 5.223 1.00 0.00 C ATOM 875 CD ARG A 114 -5.406 -3.158 6.274 1.00 0.00 C ATOM 876 NE ARG A 114 -5.999 -2.755 7.547 1.00 0.00 N ATOM 877 CZ ARG A 114 -7.308 -2.656 7.749 1.00 0.00 C ATOM 878 NH1 ARG A 114 -8.156 -2.930 6.768 1.00 0.00 N ATOM 879 NH2 ARG A 114 -7.770 -2.283 8.936 1.00 0.00 N ATOM 0 H ARG A 114 -3.207 -3.788 2.271 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.300 -1.198 3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -5.527 -2.022 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.173 -3.596 3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.959 -1.185 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.556 -1.762 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -5.902 -4.059 5.912 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.357 -3.411 6.427 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.374 -2.538 8.323 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -7.804 -3.218 5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -9.161 -2.853 6.926 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -7.120 -2.072 9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -8.775 -2.207 9.091 1.00 0.00 H new ATOM 893 N LEU A 115 -1.945 -2.091 5.561 1.00 0.00 N ATOM 894 CA LEU A 115 -1.148 -2.575 6.684 1.00 0.00 C ATOM 895 C LEU A 115 -1.980 -2.624 7.961 1.00 0.00 C ATOM 896 O LEU A 115 -3.171 -2.315 7.949 1.00 0.00 O ATOM 897 CB LEU A 115 0.074 -1.678 6.891 1.00 0.00 C ATOM 898 CG LEU A 115 0.782 -1.205 5.621 1.00 0.00 C ATOM 899 CD1 LEU A 115 1.954 -0.300 5.970 1.00 0.00 C ATOM 900 CD2 LEU A 115 1.251 -2.395 4.797 1.00 0.00 C ATOM 0 H LEU A 115 -1.867 -1.088 5.390 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.814 -3.586 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.236 -0.800 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.795 -2.217 7.506 1.00 0.00 H new ATOM 0 HG LEU A 115 0.072 -0.633 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.446 0.027 5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.592 0.570 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.665 -0.848 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.753 -2.039 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.945 -2.995 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.392 -3.005 4.517 1.00 0.00 H new ATOM 912 N GLU A 116 -1.343 -3.012 9.062 1.00 0.00 N ATOM 913 CA GLU A 116 -2.025 -3.099 10.348 1.00 0.00 C ATOM 914 C GLU A 116 -2.075 -1.736 11.031 1.00 0.00 C ATOM 915 O GLU A 116 -3.063 -1.388 11.678 1.00 0.00 O ATOM 916 CB GLU A 116 -1.323 -4.112 11.255 1.00 0.00 C ATOM 917 CG GLU A 116 0.109 -3.733 11.596 1.00 0.00 C ATOM 918 CD GLU A 116 0.672 -4.553 12.740 1.00 0.00 C ATOM 919 OE1 GLU A 116 0.137 -4.448 13.864 1.00 0.00 O ATOM 920 OE2 GLU A 116 1.648 -5.298 12.512 1.00 0.00 O ATOM 0 H GLU A 116 -0.357 -3.271 9.089 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.047 -3.432 10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -1.892 -4.216 12.179 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -1.326 -5.087 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.736 -3.867 10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 116 0.149 -2.676 11.858 1.00 0.00 H new ATOM 927 N THR A 117 -1.000 -0.967 10.883 1.00 0.00 N ATOM 928 CA THR A 117 -0.919 0.357 11.486 1.00 0.00 C ATOM 929 C THR A 117 -0.488 1.402 10.464 1.00 0.00 C ATOM 930 O THR A 117 -0.283 1.088 9.291 1.00 0.00 O ATOM 931 CB THR A 117 0.067 0.376 12.670 1.00 0.00 C ATOM 932 OG1 THR A 117 1.403 0.175 12.197 1.00 0.00 O ATOM 933 CG2 THR A 117 -0.285 -0.702 13.684 1.00 0.00 C ATOM 0 H THR A 117 -0.174 -1.239 10.350 1.00 0.00 H new ATOM 0 HA THR A 117 -1.917 0.599 11.850 1.00 0.00 H new ATOM 0 HB THR A 117 -0.003 1.348 13.158 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.024 0.190 12.955 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.425 -0.669 14.511 1.00 0.00 H new ATOM 0 HG22 THR A 117 -1.292 -0.530 14.063 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.240 -1.680 13.205 1.00 0.00 H new ATOM 941 N ARG A 118 -0.351 2.644 10.915 1.00 0.00 N ATOM 942 CA ARG A 118 0.056 3.735 10.038 1.00 0.00 C ATOM 943 C ARG A 118 1.577 3.845 9.977 1.00 0.00 C ATOM 944 O ARG A 118 2.158 3.982 8.900 1.00 0.00 O ATOM 945 CB ARG A 118 -0.542 5.058 10.523 1.00 0.00 C ATOM 946 CG ARG A 118 -0.035 5.492 11.888 1.00 0.00 C ATOM 947 CD ARG A 118 -0.873 6.625 12.459 1.00 0.00 C ATOM 948 NE ARG A 118 -0.576 6.869 13.868 1.00 0.00 N ATOM 949 CZ ARG A 118 -0.981 6.074 14.852 1.00 0.00 C ATOM 950 NH1 ARG A 118 -1.696 4.991 14.582 1.00 0.00 N ATOM 951 NH2 ARG A 118 -0.671 6.363 16.110 1.00 0.00 N ATOM 0 H ARG A 118 -0.516 2.920 11.883 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.317 3.521 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.315 5.838 9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -1.627 4.964 10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -0.055 4.643 12.571 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.004 5.812 11.807 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -0.690 7.535 11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.931 6.385 12.348 1.00 0.00 H new ATOM 0 HE ARG A 118 -0.028 7.695 14.109 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -1.937 4.766 13.617 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -2.006 4.382 15.340 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.122 7.196 16.321 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -0.982 5.752 16.865 1.00 0.00 H new ATOM 965 N THR A 119 2.217 3.785 11.141 1.00 0.00 N ATOM 966 CA THR A 119 3.669 3.880 11.220 1.00 0.00 C ATOM 967 C THR A 119 4.335 3.044 10.133 1.00 0.00 C ATOM 968 O THR A 119 5.335 3.456 9.544 1.00 0.00 O ATOM 969 CB THR A 119 4.187 3.419 12.596 1.00 0.00 C ATOM 970 OG1 THR A 119 3.598 4.212 13.632 1.00 0.00 O ATOM 971 CG2 THR A 119 5.703 3.529 12.667 1.00 0.00 C ATOM 0 H THR A 119 1.752 3.671 12.042 1.00 0.00 H new ATOM 0 HA THR A 119 3.926 4.929 11.075 1.00 0.00 H new ATOM 0 HB THR A 119 3.906 2.375 12.734 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.931 3.912 14.503 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.046 3.198 13.647 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.150 2.902 11.895 1.00 0.00 H new ATOM 0 HG23 THR A 119 6.000 4.566 12.509 1.00 0.00 H new ATOM 979 N LEU A 120 3.774 1.868 9.871 1.00 0.00 N ATOM 980 CA LEU A 120 4.313 0.973 8.853 1.00 0.00 C ATOM 981 C LEU A 120 4.115 1.555 7.457 1.00 0.00 C ATOM 982 O LEU A 120 4.942 1.356 6.568 1.00 0.00 O ATOM 983 CB LEU A 120 3.645 -0.399 8.946 1.00 0.00 C ATOM 984 CG LEU A 120 3.891 -1.180 10.238 1.00 0.00 C ATOM 985 CD1 LEU A 120 2.900 -2.326 10.366 1.00 0.00 C ATOM 986 CD2 LEU A 120 5.320 -1.701 10.282 1.00 0.00 C ATOM 0 H LEU A 120 2.946 1.512 10.349 1.00 0.00 H new ATOM 0 HA LEU A 120 5.382 0.861 9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.570 -0.266 8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.988 -1.005 8.108 1.00 0.00 H new ATOM 0 HG LEU A 120 3.745 -0.505 11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.090 -2.870 11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.885 -1.929 10.381 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.013 -3.001 9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.477 -2.254 11.208 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.493 -2.360 9.432 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.015 -0.862 10.238 1.00 0.00 H new ATOM 998 N ALA A 121 3.014 2.276 7.273 1.00 0.00 N ATOM 999 CA ALA A 121 2.709 2.890 5.987 1.00 0.00 C ATOM 1000 C ALA A 121 3.674 4.030 5.680 1.00 0.00 C ATOM 1001 O ALA A 121 4.187 4.137 4.567 1.00 0.00 O ATOM 1002 CB ALA A 121 1.273 3.392 5.969 1.00 0.00 C ATOM 0 H ALA A 121 2.318 2.449 7.999 1.00 0.00 H new ATOM 0 HA ALA A 121 2.827 2.131 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 121 1.059 3.848 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.593 2.556 6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.136 4.132 6.758 1.00 0.00 H new ATOM 1008 N GLU A 122 3.916 4.878 6.674 1.00 0.00 N ATOM 1009 CA GLU A 122 4.819 6.011 6.508 1.00 0.00 C ATOM 1010 C GLU A 122 6.226 5.538 6.154 1.00 0.00 C ATOM 1011 O GLU A 122 6.806 5.974 5.159 1.00 0.00 O ATOM 1012 CB GLU A 122 4.858 6.852 7.786 1.00 0.00 C ATOM 1013 CG GLU A 122 3.555 7.576 8.079 1.00 0.00 C ATOM 1014 CD GLU A 122 3.595 8.344 9.386 1.00 0.00 C ATOM 1015 OE1 GLU A 122 4.266 9.396 9.434 1.00 0.00 O ATOM 1016 OE2 GLU A 122 2.956 7.894 10.360 1.00 0.00 O ATOM 0 H GLU A 122 3.500 4.802 7.602 1.00 0.00 H new ATOM 0 HA GLU A 122 4.444 6.625 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.102 6.205 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.661 7.585 7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.335 8.265 7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.741 6.852 8.112 1.00 0.00 H new ATOM 1023 N ILE A 123 6.768 4.645 6.975 1.00 0.00 N ATOM 1024 CA ILE A 123 8.105 4.113 6.749 1.00 0.00 C ATOM 1025 C ILE A 123 8.233 3.525 5.347 1.00 0.00 C ATOM 1026 O ILE A 123 9.129 3.894 4.588 1.00 0.00 O ATOM 1027 CB ILE A 123 8.462 3.029 7.782 1.00 0.00 C ATOM 1028 CG1 ILE A 123 8.449 3.616 9.195 1.00 0.00 C ATOM 1029 CG2 ILE A 123 9.822 2.424 7.467 1.00 0.00 C ATOM 1030 CD1 ILE A 123 8.534 2.570 10.285 1.00 0.00 C ATOM 0 H ILE A 123 6.301 4.275 7.803 1.00 0.00 H new ATOM 0 HA ILE A 123 8.798 4.947 6.856 1.00 0.00 H new ATOM 0 HB ILE A 123 7.713 2.238 7.730 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.285 4.307 9.300 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.536 4.197 9.330 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.060 1.659 8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.799 1.974 6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.583 3.204 7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 123 8.520 3.058 11.260 1.00 0.00 H new ATOM 0 HD12 ILE A 123 7.684 1.892 10.206 1.00 0.00 H new ATOM 0 HD13 ILE A 123 9.460 2.005 10.176 1.00 0.00 H new ATOM 1042 N ALA A 124 7.330 2.611 5.011 1.00 0.00 N ATOM 1043 CA ALA A 124 7.339 1.975 3.699 1.00 0.00 C ATOM 1044 C ALA A 124 6.985 2.973 2.602 1.00 0.00 C ATOM 1045 O ALA A 124 7.384 2.812 1.449 1.00 0.00 O ATOM 1046 CB ALA A 124 6.373 0.799 3.676 1.00 0.00 C ATOM 0 H ALA A 124 6.583 2.294 5.629 1.00 0.00 H new ATOM 0 HA ALA A 124 8.347 1.608 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.390 0.334 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.671 0.068 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.365 1.152 3.893 1.00 0.00 H new ATOM 1052 N LYS A 125 6.234 4.006 2.969 1.00 0.00 N ATOM 1053 CA LYS A 125 5.827 5.033 2.016 1.00 0.00 C ATOM 1054 C LYS A 125 7.039 5.782 1.472 1.00 0.00 C ATOM 1055 O LYS A 125 7.108 6.090 0.283 1.00 0.00 O ATOM 1056 CB LYS A 125 4.860 6.017 2.679 1.00 0.00 C ATOM 1057 CG LYS A 125 4.910 7.413 2.082 1.00 0.00 C ATOM 1058 CD LYS A 125 4.387 7.428 0.655 1.00 0.00 C ATOM 1059 CE LYS A 125 3.982 8.829 0.224 1.00 0.00 C ATOM 1060 NZ LYS A 125 4.160 9.033 -1.240 1.00 0.00 N ATOM 0 H LYS A 125 5.895 4.155 3.919 1.00 0.00 H new ATOM 0 HA LYS A 125 5.323 4.542 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.845 5.630 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 125 5.089 6.077 3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.318 8.093 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.936 7.780 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.154 7.047 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 125 3.530 6.759 0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.940 9.004 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.577 9.562 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.566 9.827 -1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 5.158 9.245 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.880 8.169 -1.747 1.00 0.00 H new ATOM 1074 N VAL A 126 7.994 6.071 2.351 1.00 0.00 N ATOM 1075 CA VAL A 126 9.204 6.782 1.958 1.00 0.00 C ATOM 1076 C VAL A 126 10.271 5.816 1.456 1.00 0.00 C ATOM 1077 O VAL A 126 11.132 6.186 0.659 1.00 0.00 O ATOM 1078 CB VAL A 126 9.780 7.600 3.130 1.00 0.00 C ATOM 1079 CG1 VAL A 126 11.170 8.115 2.789 1.00 0.00 C ATOM 1080 CG2 VAL A 126 8.849 8.750 3.484 1.00 0.00 C ATOM 0 H VAL A 126 7.952 5.823 3.340 1.00 0.00 H new ATOM 0 HA VAL A 126 8.924 7.461 1.152 1.00 0.00 H new ATOM 0 HB VAL A 126 9.863 6.948 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 126 11.561 8.690 3.628 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.831 7.272 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 126 11.116 8.752 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 126 9.271 9.317 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 126 8.733 9.403 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.875 8.354 3.773 1.00 0.00 H new ATOM 1090 N GLU A 127 10.205 4.574 1.927 1.00 0.00 N ATOM 1091 CA GLU A 127 11.166 3.554 1.524 1.00 0.00 C ATOM 1092 C GLU A 127 10.791 2.956 0.171 1.00 0.00 C ATOM 1093 O GLU A 127 11.551 3.049 -0.794 1.00 0.00 O ATOM 1094 CB GLU A 127 11.242 2.448 2.579 1.00 0.00 C ATOM 1095 CG GLU A 127 12.067 2.825 3.798 1.00 0.00 C ATOM 1096 CD GLU A 127 13.557 2.671 3.564 1.00 0.00 C ATOM 1097 OE1 GLU A 127 14.084 1.563 3.799 1.00 0.00 O ATOM 1098 OE2 GLU A 127 14.197 3.658 3.145 1.00 0.00 O ATOM 0 H GLU A 127 9.497 4.251 2.587 1.00 0.00 H new ATOM 0 HA GLU A 127 12.143 4.028 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.232 2.193 2.899 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.668 1.553 2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.851 3.857 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.769 2.201 4.641 1.00 0.00 H new ATOM 1105 N LEU A 128 9.615 2.342 0.109 1.00 0.00 N ATOM 1106 CA LEU A 128 9.137 1.728 -1.126 1.00 0.00 C ATOM 1107 C LEU A 128 8.995 2.768 -2.232 1.00 0.00 C ATOM 1108 O LEU A 128 9.230 2.477 -3.405 1.00 0.00 O ATOM 1109 CB LEU A 128 7.795 1.034 -0.887 1.00 0.00 C ATOM 1110 CG LEU A 128 7.822 -0.178 0.046 1.00 0.00 C ATOM 1111 CD1 LEU A 128 6.411 -0.674 0.318 1.00 0.00 C ATOM 1112 CD2 LEU A 128 8.675 -1.289 -0.549 1.00 0.00 C ATOM 0 H LEU A 128 8.975 2.256 0.898 1.00 0.00 H new ATOM 0 HA LEU A 128 9.871 0.987 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.098 1.766 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.396 0.717 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 128 8.266 0.126 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 128 6.450 -1.536 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 128 5.830 0.120 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 128 5.939 -0.962 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.683 -2.143 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.260 -1.591 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.694 -0.929 -0.691 1.00 0.00 H new ATOM 1124 N ASP A 129 8.611 3.981 -1.850 1.00 0.00 N ATOM 1125 CA ASP A 129 8.441 5.066 -2.810 1.00 0.00 C ATOM 1126 C ASP A 129 9.656 5.179 -3.724 1.00 0.00 C ATOM 1127 O ASP A 129 10.797 5.129 -3.265 1.00 0.00 O ATOM 1128 CB ASP A 129 8.212 6.390 -2.079 1.00 0.00 C ATOM 1129 CG ASP A 129 8.676 7.585 -2.887 1.00 0.00 C ATOM 1130 OD1 ASP A 129 8.072 7.856 -3.946 1.00 0.00 O ATOM 1131 OD2 ASP A 129 9.645 8.250 -2.462 1.00 0.00 O ATOM 0 H ASP A 129 8.412 4.238 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 129 7.568 4.842 -3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.151 6.498 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.741 6.372 -1.126 1.00 0.00 H new ATOM 1136 N ASN A 130 9.404 5.330 -5.020 1.00 0.00 N ATOM 1137 CA ASN A 130 10.478 5.448 -6.000 1.00 0.00 C ATOM 1138 C ASN A 130 11.502 4.332 -5.820 1.00 0.00 C ATOM 1139 O ASN A 130 12.706 4.555 -5.947 1.00 0.00 O ATOM 1140 CB ASN A 130 11.163 6.810 -5.874 1.00 0.00 C ATOM 1141 CG ASN A 130 11.939 7.185 -7.122 1.00 0.00 C ATOM 1142 OD1 ASN A 130 13.148 7.411 -7.071 1.00 0.00 O ATOM 1143 ND2 ASN A 130 11.245 7.251 -8.252 1.00 0.00 N ATOM 0 H ASN A 130 8.465 5.374 -5.416 1.00 0.00 H new ATOM 0 HA ASN A 130 10.041 5.359 -6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 130 10.412 7.574 -5.673 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.840 6.796 -5.019 1.00 0.00 H new ATOM 0 HD21 ASN A 130 11.713 7.497 -9.124 1.00 0.00 H new ATOM 0 HD22 ASN A 130 10.244 7.056 -8.248 1.00 0.00 H new ATOM 1150 N MET A 131 11.016 3.131 -5.524 1.00 0.00 N ATOM 1151 CA MET A 131 11.890 1.980 -5.329 1.00 0.00 C ATOM 1152 C MET A 131 11.966 1.135 -6.597 1.00 0.00 C ATOM 1153 O MET A 131 10.955 0.831 -7.231 1.00 0.00 O ATOM 1154 CB MET A 131 11.391 1.126 -4.162 1.00 0.00 C ATOM 1155 CG MET A 131 12.252 -0.096 -3.892 1.00 0.00 C ATOM 1156 SD MET A 131 11.646 -1.082 -2.509 1.00 0.00 S ATOM 1157 CE MET A 131 10.414 -2.092 -3.328 1.00 0.00 C ATOM 0 H MET A 131 10.022 2.930 -5.414 1.00 0.00 H new ATOM 0 HA MET A 131 12.890 2.349 -5.098 1.00 0.00 H new ATOM 0 HB2 MET A 131 11.354 1.740 -3.262 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.371 0.803 -4.369 1.00 0.00 H new ATOM 0 HG2 MET A 131 12.286 -0.716 -4.788 1.00 0.00 H new ATOM 0 HG3 MET A 131 13.274 0.223 -3.686 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.049 -2.853 -2.638 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.583 -1.464 -3.648 1.00 0.00 H new ATOM 0 HE3 MET A 131 10.859 -2.575 -4.198 1.00 0.00 H new ATOM 1167 N PRO A 132 13.192 0.745 -6.976 1.00 0.00 N ATOM 1168 CA PRO A 132 13.428 -0.071 -8.171 1.00 0.00 C ATOM 1169 C PRO A 132 12.918 -1.499 -8.008 1.00 0.00 C ATOM 1170 O PRO A 132 13.241 -2.177 -7.033 1.00 0.00 O ATOM 1171 CB PRO A 132 14.953 -0.061 -8.312 1.00 0.00 C ATOM 1172 CG PRO A 132 15.458 0.183 -6.932 1.00 0.00 C ATOM 1173 CD PRO A 132 14.441 1.070 -6.269 1.00 0.00 C ATOM 0 HA PRO A 132 12.903 0.321 -9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.321 -1.008 -8.707 1.00 0.00 H new ATOM 0 HB3 PRO A 132 15.282 0.719 -8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 132 15.573 -0.754 -6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 132 16.437 0.661 -6.954 1.00 0.00 H new ATOM 0 HD2 PRO A 132 14.364 0.864 -5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.699 2.124 -6.373 1.00 0.00 H new ATOM 1181 N LEU A 133 12.119 -1.950 -8.970 1.00 0.00 N ATOM 1182 CA LEU A 133 11.564 -3.298 -8.933 1.00 0.00 C ATOM 1183 C LEU A 133 11.658 -3.963 -10.303 1.00 0.00 C ATOM 1184 O LEU A 133 10.921 -3.613 -11.225 1.00 0.00 O ATOM 1185 CB LEU A 133 10.107 -3.259 -8.471 1.00 0.00 C ATOM 1186 CG LEU A 133 9.394 -4.608 -8.383 1.00 0.00 C ATOM 1187 CD1 LEU A 133 9.889 -5.396 -7.180 1.00 0.00 C ATOM 1188 CD2 LEU A 133 7.886 -4.412 -8.310 1.00 0.00 C ATOM 0 H LEU A 133 11.842 -1.402 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 133 12.147 -3.885 -8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.071 -2.787 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 133 9.548 -2.619 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 133 9.623 -5.177 -9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.370 -6.353 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.961 -5.568 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 133 9.691 -4.832 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.395 -5.383 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.638 -3.823 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.543 -3.889 -9.203 1.00 0.00 H new ATOM 1200 N ARG A 134 12.567 -4.924 -10.428 1.00 0.00 N ATOM 1201 CA ARG A 134 12.755 -5.639 -11.685 1.00 0.00 C ATOM 1202 C ARG A 134 13.117 -4.673 -12.810 1.00 0.00 C ATOM 1203 O ARG A 134 12.802 -4.915 -13.974 1.00 0.00 O ATOM 1204 CB ARG A 134 11.488 -6.414 -12.050 1.00 0.00 C ATOM 1205 CG ARG A 134 11.302 -7.691 -11.247 1.00 0.00 C ATOM 1206 CD ARG A 134 12.322 -8.749 -11.638 1.00 0.00 C ATOM 1207 NE ARG A 134 12.078 -10.020 -10.962 1.00 0.00 N ATOM 1208 CZ ARG A 134 11.110 -10.862 -11.308 1.00 0.00 C ATOM 1209 NH1 ARG A 134 10.301 -10.569 -12.317 1.00 0.00 N ATOM 1210 NH2 ARG A 134 10.951 -12.001 -10.645 1.00 0.00 N ATOM 0 H ARG A 134 13.185 -5.226 -9.675 1.00 0.00 H new ATOM 0 HA ARG A 134 13.577 -6.343 -11.555 1.00 0.00 H new ATOM 0 HB2 ARG A 134 10.622 -5.770 -11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 134 11.518 -6.663 -13.111 1.00 0.00 H new ATOM 0 HG2 ARG A 134 11.395 -7.470 -10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 134 10.296 -8.078 -11.405 1.00 0.00 H new ATOM 0 HD2 ARG A 134 12.292 -8.901 -12.717 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.324 -8.395 -11.394 1.00 0.00 H new ATOM 0 HE ARG A 134 12.683 -10.275 -10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 134 10.421 -9.695 -12.830 1.00 0.00 H new ATOM 0 HH12 ARG A 134 9.559 -11.217 -12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 134 11.572 -12.230 -9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 134 10.208 -12.647 -10.911 1.00 0.00 H new ATOM 1224 N GLY A 135 13.779 -3.577 -12.452 1.00 0.00 N ATOM 1225 CA GLY A 135 14.171 -2.592 -13.443 1.00 0.00 C ATOM 1226 C GLY A 135 13.123 -1.514 -13.635 1.00 0.00 C ATOM 1227 O GLY A 135 13.418 -0.434 -14.149 1.00 0.00 O ATOM 0 H GLY A 135 14.051 -3.354 -11.494 1.00 0.00 H new ATOM 0 HA2 GLY A 135 15.111 -2.131 -13.140 1.00 0.00 H new ATOM 0 HA3 GLY A 135 14.353 -3.091 -14.395 1.00 0.00 H new ATOM 1231 N LYS A 136 11.894 -1.806 -13.224 1.00 0.00 N ATOM 1232 CA LYS A 136 10.797 -0.855 -13.353 1.00 0.00 C ATOM 1233 C LYS A 136 10.698 0.033 -12.117 1.00 0.00 C ATOM 1234 O LYS A 136 11.289 -0.265 -11.080 1.00 0.00 O ATOM 1235 CB LYS A 136 9.475 -1.595 -13.569 1.00 0.00 C ATOM 1236 CG LYS A 136 9.528 -2.619 -14.690 1.00 0.00 C ATOM 1237 CD LYS A 136 9.144 -2.004 -16.026 1.00 0.00 C ATOM 1238 CE LYS A 136 7.640 -2.047 -16.247 1.00 0.00 C ATOM 1239 NZ LYS A 136 6.937 -0.973 -15.492 1.00 0.00 N ATOM 0 H LYS A 136 11.633 -2.695 -12.798 1.00 0.00 H new ATOM 0 HA LYS A 136 10.998 -0.223 -14.218 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.193 -2.096 -12.643 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.693 -0.868 -13.789 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.533 -3.036 -14.756 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.854 -3.445 -14.462 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.489 -0.971 -16.065 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.647 -2.539 -16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 136 7.426 -1.943 -17.311 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.255 -3.019 -15.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 6.086 -0.682 -16.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.663 -1.330 -14.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.571 -0.156 -15.379 1.00 0.00 H new ATOM 1253 N GLN A 137 9.946 1.123 -12.235 1.00 0.00 N ATOM 1254 CA GLN A 137 9.770 2.053 -11.126 1.00 0.00 C ATOM 1255 C GLN A 137 8.541 1.688 -10.300 1.00 0.00 C ATOM 1256 O GLN A 137 7.629 1.017 -10.786 1.00 0.00 O ATOM 1257 CB GLN A 137 9.641 3.485 -11.649 1.00 0.00 C ATOM 1258 CG GLN A 137 10.946 4.059 -12.177 1.00 0.00 C ATOM 1259 CD GLN A 137 11.004 5.570 -12.068 1.00 0.00 C ATOM 1260 OE1 GLN A 137 11.392 6.115 -11.035 1.00 0.00 O ATOM 1261 NE2 GLN A 137 10.619 6.256 -13.138 1.00 0.00 N ATOM 0 H GLN A 137 9.449 1.383 -13.087 1.00 0.00 H new ATOM 0 HA GLN A 137 10.649 1.986 -10.485 1.00 0.00 H new ATOM 0 HB2 GLN A 137 8.896 3.507 -12.444 1.00 0.00 H new ATOM 0 HB3 GLN A 137 9.271 4.124 -10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 137 11.779 3.626 -11.624 1.00 0.00 H new ATOM 0 HG3 GLN A 137 11.071 3.768 -13.220 1.00 0.00 H new ATOM 0 HE21 GLN A 137 10.304 5.763 -13.974 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.638 7.276 -13.124 1.00 0.00 H new ATOM 1270 N LEU A 138 8.521 2.134 -9.049 1.00 0.00 N ATOM 1271 CA LEU A 138 7.403 1.855 -8.154 1.00 0.00 C ATOM 1272 C LEU A 138 6.856 3.143 -7.548 1.00 0.00 C ATOM 1273 O LEU A 138 7.589 3.904 -6.916 1.00 0.00 O ATOM 1274 CB LEU A 138 7.841 0.900 -7.042 1.00 0.00 C ATOM 1275 CG LEU A 138 7.952 -0.575 -7.429 1.00 0.00 C ATOM 1276 CD1 LEU A 138 8.487 -1.394 -6.264 1.00 0.00 C ATOM 1277 CD2 LEU A 138 6.603 -1.110 -7.884 1.00 0.00 C ATOM 0 H LEU A 138 9.267 2.691 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 138 6.611 1.385 -8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.810 1.231 -6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 138 7.134 0.986 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 138 8.653 -0.661 -8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 138 8.559 -2.441 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.474 -1.027 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 138 7.811 -1.302 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.701 -2.161 -8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.880 -1.010 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.259 -0.542 -8.749 1.00 0.00 H new ATOM 1289 N ARG A 139 5.563 3.380 -7.743 1.00 0.00 N ATOM 1290 CA ARG A 139 4.917 4.575 -7.215 1.00 0.00 C ATOM 1291 C ARG A 139 4.111 4.249 -5.961 1.00 0.00 C ATOM 1292 O ARG A 139 3.453 3.211 -5.885 1.00 0.00 O ATOM 1293 CB ARG A 139 4.004 5.197 -8.273 1.00 0.00 C ATOM 1294 CG ARG A 139 4.667 6.304 -9.075 1.00 0.00 C ATOM 1295 CD ARG A 139 5.880 5.791 -9.836 1.00 0.00 C ATOM 1296 NE ARG A 139 6.303 6.720 -10.881 1.00 0.00 N ATOM 1297 CZ ARG A 139 5.730 6.792 -12.077 1.00 0.00 C ATOM 1298 NH1 ARG A 139 4.714 5.995 -12.378 1.00 0.00 N ATOM 1299 NH2 ARG A 139 6.172 7.663 -12.975 1.00 0.00 N ATOM 0 H ARG A 139 4.942 2.760 -8.263 1.00 0.00 H new ATOM 0 HA ARG A 139 5.695 5.291 -6.950 1.00 0.00 H new ATOM 0 HB2 ARG A 139 3.669 4.416 -8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 139 3.115 5.596 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 139 3.948 6.727 -9.777 1.00 0.00 H new ATOM 0 HG3 ARG A 139 4.970 7.109 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 139 6.703 5.629 -9.140 1.00 0.00 H new ATOM 0 HD3 ARG A 139 5.646 4.825 -10.283 1.00 0.00 H new ATOM 0 HE ARG A 139 7.081 7.348 -10.681 1.00 0.00 H new ATOM 0 HH11 ARG A 139 4.371 5.325 -11.690 1.00 0.00 H new ATOM 0 HH12 ARG A 139 4.276 6.052 -13.297 1.00 0.00 H new ATOM 0 HH21 ARG A 139 6.953 8.278 -12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 139 5.731 7.717 -13.893 1.00 0.00 H new ATOM 1313 N VAL A 140 4.168 5.141 -4.978 1.00 0.00 N ATOM 1314 CA VAL A 140 3.444 4.949 -3.727 1.00 0.00 C ATOM 1315 C VAL A 140 2.858 6.263 -3.223 1.00 0.00 C ATOM 1316 O VAL A 140 3.589 7.158 -2.799 1.00 0.00 O ATOM 1317 CB VAL A 140 4.355 4.355 -2.636 1.00 0.00 C ATOM 1318 CG1 VAL A 140 3.592 4.197 -1.330 1.00 0.00 C ATOM 1319 CG2 VAL A 140 4.930 3.022 -3.091 1.00 0.00 C ATOM 0 H VAL A 140 4.709 6.005 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 140 2.634 4.249 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 140 5.183 5.043 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.252 3.776 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 140 3.233 5.171 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 140 2.743 3.530 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.571 2.616 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.117 2.325 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 140 5.515 3.169 -3.999 1.00 0.00 H new ATOM 1329 N ARG A 141 1.534 6.372 -3.273 1.00 0.00 N ATOM 1330 CA ARG A 141 0.850 7.577 -2.822 1.00 0.00 C ATOM 1331 C ARG A 141 -0.288 7.231 -1.866 1.00 0.00 C ATOM 1332 O ARG A 141 -0.856 6.140 -1.929 1.00 0.00 O ATOM 1333 CB ARG A 141 0.304 8.357 -4.020 1.00 0.00 C ATOM 1334 CG ARG A 141 -0.907 7.707 -4.669 1.00 0.00 C ATOM 1335 CD ARG A 141 -1.766 8.731 -5.395 1.00 0.00 C ATOM 1336 NE ARG A 141 -1.091 9.280 -6.568 1.00 0.00 N ATOM 1337 CZ ARG A 141 -1.521 10.347 -7.231 1.00 0.00 C ATOM 1338 NH1 ARG A 141 -2.620 10.977 -6.839 1.00 0.00 N ATOM 1339 NH2 ARG A 141 -0.852 10.786 -8.290 1.00 0.00 N ATOM 0 H ARG A 141 0.914 5.640 -3.621 1.00 0.00 H new ATOM 0 HA ARG A 141 1.572 8.197 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.036 9.363 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.093 8.461 -4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.578 6.942 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.503 7.204 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.703 8.266 -5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -2.020 9.541 -4.711 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.243 8.818 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -3.137 10.642 -6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -2.948 11.796 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.007 10.304 -8.595 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.183 11.606 -8.799 1.00 0.00 H new ATOM 1353 N PHE A 142 -0.616 8.167 -0.981 1.00 0.00 N ATOM 1354 CA PHE A 142 -1.684 7.960 -0.010 1.00 0.00 C ATOM 1355 C PHE A 142 -3.053 8.105 -0.669 1.00 0.00 C ATOM 1356 O PHE A 142 -3.484 9.211 -0.994 1.00 0.00 O ATOM 1357 CB PHE A 142 -1.553 8.957 1.144 1.00 0.00 C ATOM 1358 CG PHE A 142 -0.472 8.601 2.123 1.00 0.00 C ATOM 1359 CD1 PHE A 142 -0.503 7.393 2.801 1.00 0.00 C ATOM 1360 CD2 PHE A 142 0.576 9.474 2.366 1.00 0.00 C ATOM 1361 CE1 PHE A 142 0.491 7.064 3.703 1.00 0.00 C ATOM 1362 CE2 PHE A 142 1.573 9.150 3.267 1.00 0.00 C ATOM 1363 CZ PHE A 142 1.531 7.943 3.936 1.00 0.00 C ATOM 0 H PHE A 142 -0.158 9.076 -0.916 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.594 6.947 0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -1.351 9.948 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.505 9.017 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.313 6.701 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.614 10.419 1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 142 0.455 6.120 4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.384 9.840 3.447 1.00 0.00 H new ATOM 0 HZ PHE A 142 2.309 7.687 4.640 1.00 0.00 H new ATOM 1373 N ALA A 143 -3.731 6.978 -0.864 1.00 0.00 N ATOM 1374 CA ALA A 143 -5.051 6.979 -1.482 1.00 0.00 C ATOM 1375 C ALA A 143 -6.033 7.825 -0.680 1.00 0.00 C ATOM 1376 O ALA A 143 -5.986 7.849 0.551 1.00 0.00 O ATOM 1377 CB ALA A 143 -5.569 5.555 -1.620 1.00 0.00 C ATOM 0 H ALA A 143 -3.388 6.054 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.960 7.420 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.556 5.570 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -4.885 4.978 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -5.638 5.096 -0.634 1.00 0.00 H new