USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 765 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 98 THR OG1 : rot 130:sc= -0.701 USER MOD Set 1.2: A 100 ASN : amide:sc= -0.593 X(o=-1.3,f=-1.2) USER MOD Set 2.1: A 76 GLN : amide:sc= -0.237 X(o=-2.1,f=-1.9) USER MOD Set 2.2: A 79 GLN : amide:sc= -1.82 K(o=-2.1,f=-5.3!) USER MOD Set 3.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 31 ASN : amide:sc= -0.916 K(o=-1.9,f=-2.5!) USER MOD Set 4.2: A 34 SER OG : rot 180:sc= -0.942 USER MOD Single : A 19 SER OG : rot -55:sc= 0.946 USER MOD Single : A 23 GLN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -27:sc= -0.606 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00242 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.0292 (180deg=-0.0292) USER MOD Single : A 38 HIS : no HD1:sc=-0.00579 X(o=-0.0058,f=-0.13) USER MOD Single : A 40 GLN : amide:sc= -6.75! C(o=-6.7!,f=-8.3!) USER MOD Single : A 46 THR OG1 : rot -16:sc= 0.122 USER MOD Single : A 47 GLN : amide:sc= -1.61 K(o=-1.6,f=-3.7!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.5 F(o=-1.2,f=-0.5) USER MOD Single : A 50 GLN : amide:sc= 0.321 X(o=0.32,f=-0.15) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.751 USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0.0675 (180deg=0.0644) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -17:sc= 0.171 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 90 TYR OH : rot 150:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.485 K(o=-0.48,f=-2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 90:sc= 0.839 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 177:sc= 0.964 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N VAL A 17 -3.019 12.564 -4.158 1.00 0.00 N ATOM 201 CA VAL A 17 -2.926 11.111 -4.093 1.00 0.00 C ATOM 202 C VAL A 17 -2.299 10.543 -5.362 1.00 0.00 C ATOM 203 O VAL A 17 -2.363 11.141 -6.436 1.00 0.00 O ATOM 204 CB VAL A 17 -4.310 10.468 -3.886 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.790 10.681 -2.458 1.00 0.00 C ATOM 206 CG2 VAL A 17 -5.312 11.030 -4.883 1.00 0.00 C ATOM 0 HA VAL A 17 -2.292 10.873 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.223 9.395 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.769 10.220 -2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.082 10.227 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.863 11.749 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.285 10.565 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.398 12.108 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.972 10.821 -5.897 1.00 0.00 H new ATOM 216 N PRO A 18 -1.678 9.361 -5.237 1.00 0.00 N ATOM 217 CA PRO A 18 -1.028 8.686 -6.364 1.00 0.00 C ATOM 218 C PRO A 18 -2.033 8.160 -7.383 1.00 0.00 C ATOM 219 O PRO A 18 -3.112 7.693 -7.020 1.00 0.00 O ATOM 220 CB PRO A 18 -0.283 7.525 -5.700 1.00 0.00 C ATOM 221 CG PRO A 18 -1.039 7.259 -4.443 1.00 0.00 C ATOM 222 CD PRO A 18 -1.563 8.593 -3.986 1.00 0.00 C ATOM 0 HA PRO A 18 -0.381 9.361 -6.925 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.265 6.646 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.754 7.788 -5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.855 6.558 -4.619 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.394 6.813 -3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.526 8.496 -3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.883 9.072 -3.281 1.00 0.00 H new ATOM 230 N SER A 19 -1.671 8.240 -8.659 1.00 0.00 N ATOM 231 CA SER A 19 -2.543 7.776 -9.732 1.00 0.00 C ATOM 232 C SER A 19 -1.833 6.741 -10.600 1.00 0.00 C ATOM 233 O SER A 19 -1.922 6.778 -11.827 1.00 0.00 O ATOM 234 CB SER A 19 -2.999 8.954 -10.593 1.00 0.00 C ATOM 235 OG SER A 19 -3.855 8.522 -11.637 1.00 0.00 O ATOM 0 H SER A 19 -0.780 8.622 -8.975 1.00 0.00 H new ATOM 0 HA SER A 19 -3.417 7.307 -9.279 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.518 9.683 -9.971 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.130 9.457 -11.016 1.00 0.00 H new ATOM 0 HG SER A 19 -3.407 7.824 -12.159 1.00 0.00 H new ATOM 241 N ALA A 20 -1.129 5.818 -9.953 1.00 0.00 N ATOM 242 CA ALA A 20 -0.405 4.772 -10.664 1.00 0.00 C ATOM 243 C ALA A 20 -0.346 3.489 -9.842 1.00 0.00 C ATOM 244 O ALA A 20 0.280 3.447 -8.784 1.00 0.00 O ATOM 245 CB ALA A 20 0.999 5.244 -11.011 1.00 0.00 C ATOM 0 H ALA A 20 -1.045 5.774 -8.937 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.942 4.556 -11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.528 4.453 -11.542 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.939 6.129 -11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.537 5.489 -10.095 1.00 0.00 H new ATOM 251 N ALA A 21 -1.003 2.444 -10.336 1.00 0.00 N ATOM 252 CA ALA A 21 -1.023 1.160 -9.647 1.00 0.00 C ATOM 253 C ALA A 21 0.175 0.305 -10.045 1.00 0.00 C ATOM 254 O ALA A 21 0.837 0.551 -11.053 1.00 0.00 O ATOM 255 CB ALA A 21 -2.321 0.423 -9.943 1.00 0.00 C ATOM 0 H ALA A 21 -1.528 2.462 -11.210 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.961 1.349 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.323 -0.534 -9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.165 1.023 -9.603 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.406 0.252 -11.016 1.00 0.00 H new ATOM 261 N PRO A 22 0.463 -0.725 -9.234 1.00 0.00 N ATOM 262 CA PRO A 22 1.583 -1.637 -9.482 1.00 0.00 C ATOM 263 C PRO A 22 1.347 -2.531 -10.694 1.00 0.00 C ATOM 264 O PRO A 22 0.237 -3.016 -10.911 1.00 0.00 O ATOM 265 CB PRO A 22 1.646 -2.477 -8.203 1.00 0.00 C ATOM 266 CG PRO A 22 0.263 -2.431 -7.652 1.00 0.00 C ATOM 267 CD PRO A 22 -0.283 -1.078 -8.015 1.00 0.00 C ATOM 0 HA PRO A 22 2.505 -1.099 -9.702 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.953 -3.501 -8.416 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.368 -2.068 -7.496 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.352 -3.226 -8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.269 -2.572 -6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.357 -1.114 -8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.119 -0.352 -7.219 1.00 0.00 H new ATOM 275 N GLN A 23 2.397 -2.744 -11.480 1.00 0.00 N ATOM 276 CA GLN A 23 2.302 -3.580 -12.672 1.00 0.00 C ATOM 277 C GLN A 23 2.943 -4.942 -12.433 1.00 0.00 C ATOM 278 O GLN A 23 3.388 -5.245 -11.327 1.00 0.00 O ATOM 279 CB GLN A 23 2.971 -2.888 -13.860 1.00 0.00 C ATOM 280 CG GLN A 23 2.863 -1.372 -13.823 1.00 0.00 C ATOM 281 CD GLN A 23 3.852 -0.693 -14.749 1.00 0.00 C ATOM 282 OE1 GLN A 23 3.817 -0.888 -15.964 1.00 0.00 O ATOM 283 NE2 GLN A 23 4.742 0.110 -14.178 1.00 0.00 N ATOM 0 H GLN A 23 3.323 -2.350 -11.314 1.00 0.00 H new ATOM 0 HA GLN A 23 1.246 -3.731 -12.897 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.024 -3.168 -13.887 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.521 -3.253 -14.783 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.851 -1.077 -14.100 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.029 -1.025 -12.803 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.734 0.242 -13.167 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.433 0.594 -14.751 1.00 0.00 H new ATOM 292 N ASN A 24 2.987 -5.761 -13.479 1.00 0.00 N ATOM 293 CA ASN A 24 3.574 -7.093 -13.383 1.00 0.00 C ATOM 294 C ASN A 24 2.987 -7.862 -12.203 1.00 0.00 C ATOM 295 O ASN A 24 3.686 -8.627 -11.537 1.00 0.00 O ATOM 296 CB ASN A 24 5.094 -6.994 -13.237 1.00 0.00 C ATOM 297 CG ASN A 24 5.805 -6.997 -14.576 1.00 0.00 C ATOM 298 OD1 ASN A 24 6.312 -8.027 -15.020 1.00 0.00 O ATOM 299 ND2 ASN A 24 5.845 -5.840 -15.227 1.00 0.00 N ATOM 0 H ASN A 24 2.623 -5.526 -14.403 1.00 0.00 H new ATOM 0 HA ASN A 24 3.339 -7.634 -14.300 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.346 -6.081 -12.697 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.454 -7.829 -12.636 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.310 -5.780 -16.133 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.411 -5.011 -14.821 1.00 0.00 H new ATOM 306 N LEU A 25 1.699 -7.655 -11.951 1.00 0.00 N ATOM 307 CA LEU A 25 1.017 -8.329 -10.851 1.00 0.00 C ATOM 308 C LEU A 25 0.984 -9.837 -11.074 1.00 0.00 C ATOM 309 O LEU A 25 1.007 -10.307 -12.212 1.00 0.00 O ATOM 310 CB LEU A 25 -0.408 -7.792 -10.704 1.00 0.00 C ATOM 311 CG LEU A 25 -1.252 -8.424 -9.597 1.00 0.00 C ATOM 312 CD1 LEU A 25 -0.572 -8.258 -8.247 1.00 0.00 C ATOM 313 CD2 LEU A 25 -2.645 -7.812 -9.573 1.00 0.00 C ATOM 0 H LEU A 25 1.106 -7.026 -12.493 1.00 0.00 H new ATOM 0 HA LEU A 25 1.571 -8.128 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.354 -6.718 -10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.927 -7.930 -11.653 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.349 -9.490 -9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.187 -8.714 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.403 -8.744 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.444 -7.197 -8.032 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.232 -8.274 -8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.568 -6.740 -9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.134 -7.983 -10.532 1.00 0.00 H new ATOM 325 N SER A 26 0.929 -10.591 -9.981 1.00 0.00 N ATOM 326 CA SER A 26 0.894 -12.047 -10.057 1.00 0.00 C ATOM 327 C SER A 26 0.474 -12.650 -8.720 1.00 0.00 C ATOM 328 O SER A 26 0.649 -12.038 -7.666 1.00 0.00 O ATOM 329 CB SER A 26 2.265 -12.590 -10.466 1.00 0.00 C ATOM 330 OG SER A 26 3.272 -12.163 -9.565 1.00 0.00 O ATOM 0 H SER A 26 0.908 -10.218 -9.032 1.00 0.00 H new ATOM 0 HA SER A 26 0.159 -12.330 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.235 -13.679 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.507 -12.253 -11.474 1.00 0.00 H new ATOM 0 HG SER A 26 3.005 -11.314 -9.155 1.00 0.00 H new ATOM 336 N LEU A 27 -0.083 -13.855 -8.772 1.00 0.00 N ATOM 337 CA LEU A 27 -0.529 -14.544 -7.566 1.00 0.00 C ATOM 338 C LEU A 27 0.070 -15.944 -7.485 1.00 0.00 C ATOM 339 O LEU A 27 -0.422 -16.878 -8.118 1.00 0.00 O ATOM 340 CB LEU A 27 -2.057 -14.629 -7.539 1.00 0.00 C ATOM 341 CG LEU A 27 -2.805 -13.308 -7.722 1.00 0.00 C ATOM 342 CD1 LEU A 27 -4.247 -13.564 -8.131 1.00 0.00 C ATOM 343 CD2 LEU A 27 -2.749 -12.482 -6.445 1.00 0.00 C ATOM 0 H LEU A 27 -0.237 -14.375 -9.636 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.187 -13.972 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.377 -15.316 -8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.360 -15.067 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.318 -12.744 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.764 -12.613 -8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.266 -14.114 -9.072 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.746 -14.149 -7.358 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.286 -11.545 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.211 -13.040 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.710 -12.268 -6.195 1.00 0.00 H new ATOM 355 N GLU A 28 1.134 -16.083 -6.699 1.00 0.00 N ATOM 356 CA GLU A 28 1.799 -17.370 -6.535 1.00 0.00 C ATOM 357 C GLU A 28 1.081 -18.224 -5.494 1.00 0.00 C ATOM 358 O GLU A 28 1.414 -18.191 -4.310 1.00 0.00 O ATOM 359 CB GLU A 28 3.258 -17.166 -6.124 1.00 0.00 C ATOM 360 CG GLU A 28 4.001 -18.463 -5.851 1.00 0.00 C ATOM 361 CD GLU A 28 5.504 -18.315 -5.985 1.00 0.00 C ATOM 362 OE1 GLU A 28 6.002 -18.337 -7.130 1.00 0.00 O ATOM 363 OE2 GLU A 28 6.182 -18.176 -4.946 1.00 0.00 O ATOM 0 H GLU A 28 1.553 -15.321 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 28 1.768 -17.891 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.776 -16.620 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.291 -16.543 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.762 -18.809 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.652 -19.229 -6.543 1.00 0.00 H new ATOM 370 N VAL A 29 0.091 -18.989 -5.946 1.00 0.00 N ATOM 371 CA VAL A 29 -0.675 -19.853 -5.055 1.00 0.00 C ATOM 372 C VAL A 29 0.231 -20.855 -4.349 1.00 0.00 C ATOM 373 O VAL A 29 0.461 -21.957 -4.846 1.00 0.00 O ATOM 374 CB VAL A 29 -1.770 -20.618 -5.821 1.00 0.00 C ATOM 375 CG1 VAL A 29 -2.532 -21.542 -4.883 1.00 0.00 C ATOM 376 CG2 VAL A 29 -2.716 -19.646 -6.510 1.00 0.00 C ATOM 0 H VAL A 29 -0.199 -19.028 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.145 -19.207 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.293 -21.230 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.302 -22.074 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.842 -22.261 -4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.999 -20.954 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.483 -20.204 -7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.187 -19.006 -5.764 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.156 -19.030 -7.214 1.00 0.00 H new ATOM 386 N ARG A 30 0.742 -20.465 -3.185 1.00 0.00 N ATOM 387 CA ARG A 30 1.623 -21.329 -2.410 1.00 0.00 C ATOM 388 C ARG A 30 0.906 -22.613 -2.002 1.00 0.00 C ATOM 389 O ARG A 30 1.381 -23.714 -2.272 1.00 0.00 O ATOM 390 CB ARG A 30 2.127 -20.596 -1.165 1.00 0.00 C ATOM 391 CG ARG A 30 3.001 -19.393 -1.479 1.00 0.00 C ATOM 392 CD ARG A 30 4.325 -19.812 -2.098 1.00 0.00 C ATOM 393 NE ARG A 30 5.152 -20.567 -1.161 1.00 0.00 N ATOM 394 CZ ARG A 30 5.964 -20.000 -0.275 1.00 0.00 C ATOM 395 NH1 ARG A 30 6.056 -18.679 -0.207 1.00 0.00 N ATOM 396 NH2 ARG A 30 6.685 -20.754 0.544 1.00 0.00 N ATOM 0 H ARG A 30 0.561 -19.556 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 30 2.474 -21.593 -3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.271 -20.268 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.692 -21.294 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.473 -18.727 -2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.188 -18.829 -0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.135 -20.418 -2.984 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.867 -18.926 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 30 5.104 -21.586 -1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.503 -18.096 -0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.680 -18.246 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.617 -21.770 0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.308 -20.317 1.224 1.00 0.00 H new ATOM 410 N ASN A 31 -0.242 -22.460 -1.349 1.00 0.00 N ATOM 411 CA ASN A 31 -1.025 -23.607 -0.903 1.00 0.00 C ATOM 412 C ASN A 31 -2.497 -23.437 -1.269 1.00 0.00 C ATOM 413 O ASN A 31 -2.879 -22.455 -1.907 1.00 0.00 O ATOM 414 CB ASN A 31 -0.883 -23.790 0.610 1.00 0.00 C ATOM 415 CG ASN A 31 0.538 -23.562 1.089 1.00 0.00 C ATOM 416 OD1 ASN A 31 1.499 -23.934 0.415 1.00 0.00 O ATOM 417 ND2 ASN A 31 0.676 -22.948 2.258 1.00 0.00 N ATOM 0 H ASN A 31 -0.650 -21.554 -1.117 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.643 -24.494 -1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.551 -23.097 1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.198 -24.797 0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.607 -22.767 2.632 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.149 -22.657 2.782 1.00 0.00 H new ATOM 424 N SER A 32 -3.318 -24.399 -0.861 1.00 0.00 N ATOM 425 CA SER A 32 -4.747 -24.358 -1.149 1.00 0.00 C ATOM 426 C SER A 32 -5.449 -23.329 -0.269 1.00 0.00 C ATOM 427 O SER A 32 -6.475 -22.766 -0.649 1.00 0.00 O ATOM 428 CB SER A 32 -5.371 -25.739 -0.937 1.00 0.00 C ATOM 429 OG SER A 32 -5.040 -26.257 0.339 1.00 0.00 O ATOM 0 H SER A 32 -3.018 -25.217 -0.330 1.00 0.00 H new ATOM 0 HA SER A 32 -4.875 -24.066 -2.191 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.454 -25.671 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.023 -26.422 -1.712 1.00 0.00 H new ATOM 0 HG SER A 32 -5.452 -27.139 0.451 1.00 0.00 H new ATOM 435 N LYS A 33 -4.888 -23.088 0.912 1.00 0.00 N ATOM 436 CA LYS A 33 -5.457 -22.127 1.848 1.00 0.00 C ATOM 437 C LYS A 33 -4.614 -20.857 1.904 1.00 0.00 C ATOM 438 O LYS A 33 -4.987 -19.881 2.554 1.00 0.00 O ATOM 439 CB LYS A 33 -5.562 -22.745 3.245 1.00 0.00 C ATOM 440 CG LYS A 33 -4.224 -22.880 3.952 1.00 0.00 C ATOM 441 CD LYS A 33 -4.378 -22.772 5.460 1.00 0.00 C ATOM 442 CE LYS A 33 -4.900 -24.067 6.061 1.00 0.00 C ATOM 443 NZ LYS A 33 -4.919 -24.020 7.549 1.00 0.00 N ATOM 0 H LYS A 33 -4.039 -23.546 1.243 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.455 -21.864 1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.226 -22.133 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.022 -23.730 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.773 -23.839 3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.544 -22.105 3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.416 -22.524 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.061 -21.957 5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.907 -24.259 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.276 -24.898 5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.281 -24.921 7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.954 -23.862 7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.535 -23.243 7.864 1.00 0.00 H new ATOM 457 N SER A 34 -3.475 -20.878 1.219 1.00 0.00 N ATOM 458 CA SER A 34 -2.578 -19.729 1.193 1.00 0.00 C ATOM 459 C SER A 34 -2.295 -19.292 -0.241 1.00 0.00 C ATOM 460 O SER A 34 -2.189 -20.122 -1.145 1.00 0.00 O ATOM 461 CB SER A 34 -1.265 -20.064 1.904 1.00 0.00 C ATOM 462 OG SER A 34 -1.506 -20.703 3.146 1.00 0.00 O ATOM 0 H SER A 34 -3.152 -21.678 0.675 1.00 0.00 H new ATOM 0 HA SER A 34 -3.067 -18.907 1.715 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.659 -20.711 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.692 -19.151 2.066 1.00 0.00 H new ATOM 0 HG SER A 34 -0.651 -20.908 3.580 1.00 0.00 H new ATOM 468 N ILE A 35 -2.175 -17.984 -0.442 1.00 0.00 N ATOM 469 CA ILE A 35 -1.904 -17.437 -1.766 1.00 0.00 C ATOM 470 C ILE A 35 -0.978 -16.228 -1.682 1.00 0.00 C ATOM 471 O ILE A 35 -1.321 -15.211 -1.080 1.00 0.00 O ATOM 472 CB ILE A 35 -3.204 -17.024 -2.481 1.00 0.00 C ATOM 473 CG1 ILE A 35 -4.112 -18.240 -2.678 1.00 0.00 C ATOM 474 CG2 ILE A 35 -2.888 -16.371 -3.818 1.00 0.00 C ATOM 475 CD1 ILE A 35 -5.424 -17.911 -3.355 1.00 0.00 C ATOM 0 H ILE A 35 -2.261 -17.284 0.295 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.418 -18.226 -2.340 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.729 -16.299 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.583 -18.986 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.317 -18.692 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.817 -16.085 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.276 -15.484 -3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.345 -17.076 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.016 -18.820 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.974 -17.188 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.229 -17.487 -4.340 1.00 0.00 H new ATOM 487 N MET A 36 0.198 -16.347 -2.290 1.00 0.00 N ATOM 488 CA MET A 36 1.173 -15.263 -2.287 1.00 0.00 C ATOM 489 C MET A 36 0.859 -14.246 -3.379 1.00 0.00 C ATOM 490 O MET A 36 0.530 -14.615 -4.507 1.00 0.00 O ATOM 491 CB MET A 36 2.585 -15.818 -2.481 1.00 0.00 C ATOM 492 CG MET A 36 3.641 -14.741 -2.670 1.00 0.00 C ATOM 493 SD MET A 36 3.650 -13.536 -1.328 1.00 0.00 S ATOM 494 CE MET A 36 5.036 -14.123 -0.356 1.00 0.00 C ATOM 0 H MET A 36 0.499 -17.183 -2.791 1.00 0.00 H new ATOM 0 HA MET A 36 1.118 -14.761 -1.321 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.849 -16.427 -1.616 1.00 0.00 H new ATOM 0 HB3 MET A 36 2.591 -16.478 -3.349 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.623 -15.209 -2.740 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.465 -14.226 -3.614 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.170 -13.479 0.513 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.842 -15.143 -0.025 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.940 -14.105 -0.964 1.00 0.00 H new ATOM 504 N ILE A 37 0.961 -12.966 -3.037 1.00 0.00 N ATOM 505 CA ILE A 37 0.688 -11.897 -3.990 1.00 0.00 C ATOM 506 C ILE A 37 1.965 -11.147 -4.355 1.00 0.00 C ATOM 507 O ILE A 37 2.563 -10.473 -3.516 1.00 0.00 O ATOM 508 CB ILE A 37 -0.340 -10.895 -3.432 1.00 0.00 C ATOM 509 CG1 ILE A 37 -1.531 -11.639 -2.823 1.00 0.00 C ATOM 510 CG2 ILE A 37 -0.804 -9.948 -4.528 1.00 0.00 C ATOM 511 CD1 ILE A 37 -2.425 -10.758 -1.979 1.00 0.00 C ATOM 0 H ILE A 37 1.231 -12.644 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 37 0.277 -12.368 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 37 0.136 -10.306 -2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.122 -12.081 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.161 -12.461 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.530 -9.246 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.052 -9.398 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.266 -10.521 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.248 -11.351 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.848 -10.337 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.824 -9.951 -2.593 1.00 0.00 H new ATOM 523 N HIS A 38 2.376 -11.269 -5.613 1.00 0.00 N ATOM 524 CA HIS A 38 3.582 -10.600 -6.091 1.00 0.00 C ATOM 525 C HIS A 38 3.230 -9.461 -7.043 1.00 0.00 C ATOM 526 O HIS A 38 2.620 -9.680 -8.090 1.00 0.00 O ATOM 527 CB HIS A 38 4.501 -11.601 -6.792 1.00 0.00 C ATOM 528 CG HIS A 38 5.300 -12.445 -5.847 1.00 0.00 C ATOM 529 ND1 HIS A 38 6.163 -11.915 -4.912 1.00 0.00 N ATOM 530 CD2 HIS A 38 5.361 -13.788 -5.696 1.00 0.00 C ATOM 531 CE1 HIS A 38 6.722 -12.897 -4.227 1.00 0.00 C ATOM 532 NE2 HIS A 38 6.252 -14.044 -4.683 1.00 0.00 N ATOM 0 H HIS A 38 1.893 -11.824 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 38 4.102 -10.182 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.899 -12.251 -7.427 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.183 -11.059 -7.447 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.811 -14.522 -6.266 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.441 -12.781 -3.430 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.509 -14.969 -4.339 1.00 0.00 H new ATOM 541 N TRP A 39 3.617 -8.246 -6.672 1.00 0.00 N ATOM 542 CA TRP A 39 3.342 -7.073 -7.493 1.00 0.00 C ATOM 543 C TRP A 39 4.581 -6.193 -7.619 1.00 0.00 C ATOM 544 O TRP A 39 5.493 -6.271 -6.796 1.00 0.00 O ATOM 545 CB TRP A 39 2.187 -6.267 -6.896 1.00 0.00 C ATOM 546 CG TRP A 39 2.503 -5.684 -5.552 1.00 0.00 C ATOM 547 CD1 TRP A 39 3.002 -4.439 -5.295 1.00 0.00 C ATOM 548 CD2 TRP A 39 2.343 -6.324 -4.281 1.00 0.00 C ATOM 549 NE1 TRP A 39 3.161 -4.266 -3.941 1.00 0.00 N ATOM 550 CE2 TRP A 39 2.763 -5.408 -3.297 1.00 0.00 C ATOM 551 CE3 TRP A 39 1.883 -7.580 -3.878 1.00 0.00 C ATOM 552 CZ2 TRP A 39 2.738 -5.711 -1.938 1.00 0.00 C ATOM 553 CZ3 TRP A 39 1.859 -7.880 -2.530 1.00 0.00 C ATOM 554 CH2 TRP A 39 2.283 -6.949 -1.573 1.00 0.00 C ATOM 0 H TRP A 39 4.122 -8.048 -5.808 1.00 0.00 H new ATOM 0 HA TRP A 39 3.061 -7.415 -8.489 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.923 -5.461 -7.581 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.311 -6.910 -6.808 1.00 0.00 H new ATOM 0 HD1 TRP A 39 3.237 -3.699 -6.046 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.517 -3.424 -3.489 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.552 -8.304 -4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.066 -4.995 -1.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.507 -8.849 -2.208 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.250 -7.213 -0.526 1.00 0.00 H new ATOM 565 N GLN A 40 4.606 -5.357 -8.652 1.00 0.00 N ATOM 566 CA GLN A 40 5.735 -4.464 -8.884 1.00 0.00 C ATOM 567 C GLN A 40 5.313 -3.005 -8.737 1.00 0.00 C ATOM 568 O GLN A 40 4.182 -2.627 -9.042 1.00 0.00 O ATOM 569 CB GLN A 40 6.322 -4.700 -10.276 1.00 0.00 C ATOM 570 CG GLN A 40 7.089 -6.007 -10.399 1.00 0.00 C ATOM 571 CD GLN A 40 6.442 -7.138 -9.625 1.00 0.00 C ATOM 572 OE1 GLN A 40 5.472 -7.743 -10.082 1.00 0.00 O ATOM 573 NE2 GLN A 40 6.978 -7.431 -8.446 1.00 0.00 N ATOM 0 H GLN A 40 3.858 -5.279 -9.341 1.00 0.00 H new ATOM 0 HA GLN A 40 6.497 -4.680 -8.136 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.514 -4.692 -11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.987 -3.873 -10.526 1.00 0.00 H new ATOM 0 HG2 GLN A 40 7.159 -6.285 -11.451 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.107 -5.861 -10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.782 -6.903 -8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.586 -8.184 -7.880 1.00 0.00 H new ATOM 582 N PRO A 41 6.243 -2.165 -8.260 1.00 0.00 N ATOM 583 CA PRO A 41 5.991 -0.735 -8.062 1.00 0.00 C ATOM 584 C PRO A 41 5.849 0.017 -9.382 1.00 0.00 C ATOM 585 O PRO A 41 6.535 -0.270 -10.363 1.00 0.00 O ATOM 586 CB PRO A 41 7.233 -0.257 -7.305 1.00 0.00 C ATOM 587 CG PRO A 41 8.301 -1.224 -7.682 1.00 0.00 C ATOM 588 CD PRO A 41 7.613 -2.547 -7.876 1.00 0.00 C ATOM 0 HA PRO A 41 5.056 -0.556 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.502 0.761 -7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.064 -0.254 -6.228 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.807 -0.910 -8.595 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.060 -1.290 -6.903 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.097 -3.142 -8.651 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.623 -3.143 -6.964 1.00 0.00 H new ATOM 596 N PRO A 42 4.939 1.002 -9.408 1.00 0.00 N ATOM 597 CA PRO A 42 4.688 1.815 -10.601 1.00 0.00 C ATOM 598 C PRO A 42 5.850 2.748 -10.923 1.00 0.00 C ATOM 599 O PRO A 42 6.784 2.886 -10.134 1.00 0.00 O ATOM 600 CB PRO A 42 3.443 2.623 -10.224 1.00 0.00 C ATOM 601 CG PRO A 42 3.472 2.690 -8.736 1.00 0.00 C ATOM 602 CD PRO A 42 4.087 1.398 -8.274 1.00 0.00 C ATOM 0 HA PRO A 42 4.562 1.201 -11.493 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.469 3.619 -10.666 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.534 2.139 -10.581 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.057 3.544 -8.395 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.467 2.810 -8.331 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.669 1.533 -7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.328 0.646 -8.059 1.00 0.00 H new ATOM 610 N ALA A 43 5.786 3.386 -12.087 1.00 0.00 N ATOM 611 CA ALA A 43 6.833 4.307 -12.512 1.00 0.00 C ATOM 612 C ALA A 43 7.069 5.390 -11.464 1.00 0.00 C ATOM 613 O ALA A 43 6.184 5.732 -10.680 1.00 0.00 O ATOM 614 CB ALA A 43 6.472 4.935 -13.850 1.00 0.00 C ATOM 0 H ALA A 43 5.020 3.282 -12.753 1.00 0.00 H new ATOM 0 HA ALA A 43 7.757 3.740 -12.626 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.263 5.621 -14.155 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.360 4.153 -14.601 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.534 5.482 -13.754 1.00 0.00 H new ATOM 620 N PRO A 44 8.291 5.943 -11.448 1.00 0.00 N ATOM 621 CA PRO A 44 8.672 6.995 -10.501 1.00 0.00 C ATOM 622 C PRO A 44 7.971 8.317 -10.791 1.00 0.00 C ATOM 623 O PRO A 44 7.400 8.938 -9.895 1.00 0.00 O ATOM 624 CB PRO A 44 10.182 7.133 -10.713 1.00 0.00 C ATOM 625 CG PRO A 44 10.414 6.661 -12.107 1.00 0.00 C ATOM 626 CD PRO A 44 9.395 5.583 -12.354 1.00 0.00 C ATOM 0 HA PRO A 44 8.392 6.743 -9.478 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.507 8.166 -10.586 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.739 6.533 -9.994 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.299 7.478 -12.820 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.427 6.275 -12.225 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.072 5.567 -13.395 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.794 4.594 -12.128 1.00 0.00 H new ATOM 634 N ALA A 45 8.017 8.743 -12.050 1.00 0.00 N ATOM 635 CA ALA A 45 7.383 9.990 -12.458 1.00 0.00 C ATOM 636 C ALA A 45 5.963 10.090 -11.910 1.00 0.00 C ATOM 637 O ALA A 45 5.569 11.119 -11.360 1.00 0.00 O ATOM 638 CB ALA A 45 7.375 10.107 -13.975 1.00 0.00 C ATOM 0 H ALA A 45 8.487 8.242 -12.804 1.00 0.00 H new ATOM 0 HA ALA A 45 7.963 10.815 -12.044 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.898 11.043 -14.265 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.400 10.091 -14.347 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.821 9.271 -14.402 1.00 0.00 H new ATOM 644 N THR A 46 5.198 9.014 -12.064 1.00 0.00 N ATOM 645 CA THR A 46 3.821 8.981 -11.587 1.00 0.00 C ATOM 646 C THR A 46 3.754 9.228 -10.084 1.00 0.00 C ATOM 647 O THR A 46 2.943 10.024 -9.613 1.00 0.00 O ATOM 648 CB THR A 46 3.148 7.633 -11.906 1.00 0.00 C ATOM 649 OG1 THR A 46 3.991 6.554 -11.486 1.00 0.00 O ATOM 650 CG2 THR A 46 2.861 7.509 -13.394 1.00 0.00 C ATOM 0 H THR A 46 5.509 8.154 -12.515 1.00 0.00 H new ATOM 0 HA THR A 46 3.287 9.776 -12.107 1.00 0.00 H new ATOM 0 HB THR A 46 2.202 7.587 -11.366 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.900 6.888 -11.336 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.386 6.549 -13.594 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.196 8.315 -13.705 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.795 7.575 -13.951 1.00 0.00 H new ATOM 658 N GLN A 47 4.612 8.540 -9.338 1.00 0.00 N ATOM 659 CA GLN A 47 4.649 8.685 -7.888 1.00 0.00 C ATOM 660 C GLN A 47 4.954 10.126 -7.492 1.00 0.00 C ATOM 661 O GLN A 47 6.108 10.554 -7.511 1.00 0.00 O ATOM 662 CB GLN A 47 5.696 7.746 -7.286 1.00 0.00 C ATOM 663 CG GLN A 47 5.527 6.296 -7.709 1.00 0.00 C ATOM 664 CD GLN A 47 6.787 5.478 -7.503 1.00 0.00 C ATOM 665 OE1 GLN A 47 7.886 6.023 -7.405 1.00 0.00 O ATOM 666 NE2 GLN A 47 6.632 4.160 -7.435 1.00 0.00 N ATOM 0 H GLN A 47 5.290 7.877 -9.713 1.00 0.00 H new ATOM 0 HA GLN A 47 3.666 8.420 -7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.689 8.088 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.645 7.807 -6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.711 5.849 -7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.242 6.259 -8.760 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.702 3.751 -7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.443 3.558 -7.296 1.00 0.00 H new ATOM 675 N ASN A 48 3.912 10.870 -7.136 1.00 0.00 N ATOM 676 CA ASN A 48 4.069 12.265 -6.737 1.00 0.00 C ATOM 677 C ASN A 48 4.672 12.366 -5.339 1.00 0.00 C ATOM 678 O ASN A 48 5.140 13.427 -4.929 1.00 0.00 O ATOM 679 CB ASN A 48 2.719 12.983 -6.776 1.00 0.00 C ATOM 680 CG ASN A 48 1.557 12.044 -6.516 1.00 0.00 C ATOM 681 OD1 ASN A 48 0.809 11.724 -7.565 1.00 0.00 O flip ATOM 682 ND2 ASN A 48 1.335 11.612 -5.385 1.00 0.00 N flip ATOM 0 H ASN A 48 2.950 10.531 -7.115 1.00 0.00 H new ATOM 0 HA ASN A 48 4.748 12.745 -7.442 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.713 13.779 -6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.590 13.456 -7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.937 11.885 -4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.550 10.981 -5.225 1.00 0.00 H new ATOM 689 N GLY A 49 4.657 11.253 -4.612 1.00 0.00 N ATOM 690 CA GLY A 49 5.204 11.237 -3.268 1.00 0.00 C ATOM 691 C GLY A 49 5.905 9.933 -2.943 1.00 0.00 C ATOM 692 O GLY A 49 6.439 9.270 -3.832 1.00 0.00 O ATOM 0 H GLY A 49 4.276 10.362 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.907 12.062 -3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.401 11.403 -2.550 1.00 0.00 H new ATOM 696 N GLN A 50 5.906 9.566 -1.665 1.00 0.00 N ATOM 697 CA GLN A 50 6.550 8.334 -1.226 1.00 0.00 C ATOM 698 C GLN A 50 5.513 7.307 -0.782 1.00 0.00 C ATOM 699 O GLN A 50 4.476 7.660 -0.222 1.00 0.00 O ATOM 700 CB GLN A 50 7.522 8.622 -0.080 1.00 0.00 C ATOM 701 CG GLN A 50 8.091 7.369 0.565 1.00 0.00 C ATOM 702 CD GLN A 50 8.907 6.533 -0.402 1.00 0.00 C ATOM 703 OE1 GLN A 50 9.749 7.055 -1.133 1.00 0.00 O ATOM 704 NE2 GLN A 50 8.660 5.228 -0.411 1.00 0.00 N ATOM 0 H GLN A 50 5.469 10.104 -0.917 1.00 0.00 H new ATOM 0 HA GLN A 50 7.105 7.923 -2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.343 9.232 -0.456 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.010 9.211 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.717 7.653 1.411 1.00 0.00 H new ATOM 0 HG3 GLN A 50 7.274 6.766 0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.953 4.838 0.212 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.177 4.615 -1.041 1.00 0.00 H new ATOM 713 N ILE A 51 5.802 6.035 -1.037 1.00 0.00 N ATOM 714 CA ILE A 51 4.894 4.957 -0.663 1.00 0.00 C ATOM 715 C ILE A 51 5.217 4.425 0.729 1.00 0.00 C ATOM 716 O ILE A 51 6.372 4.137 1.044 1.00 0.00 O ATOM 717 CB ILE A 51 4.956 3.795 -1.671 1.00 0.00 C ATOM 718 CG1 ILE A 51 4.558 4.280 -3.067 1.00 0.00 C ATOM 719 CG2 ILE A 51 4.052 2.656 -1.223 1.00 0.00 C ATOM 720 CD1 ILE A 51 4.879 3.290 -4.165 1.00 0.00 C ATOM 0 H ILE A 51 6.656 5.726 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 51 3.888 5.376 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 51 5.980 3.425 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.488 4.489 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.069 5.220 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.107 1.842 -1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.377 2.296 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.024 3.012 -1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.570 3.700 -5.126 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.952 3.099 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.347 2.357 -3.980 1.00 0.00 H new ATOM 732 N THR A 52 4.188 4.295 1.560 1.00 0.00 N ATOM 733 CA THR A 52 4.361 3.796 2.919 1.00 0.00 C ATOM 734 C THR A 52 3.948 2.333 3.025 1.00 0.00 C ATOM 735 O THR A 52 4.666 1.515 3.597 1.00 0.00 O ATOM 736 CB THR A 52 3.543 4.623 3.929 1.00 0.00 C ATOM 737 OG1 THR A 52 2.143 4.474 3.665 1.00 0.00 O ATOM 738 CG2 THR A 52 3.923 6.094 3.858 1.00 0.00 C ATOM 0 H THR A 52 3.226 4.528 1.316 1.00 0.00 H new ATOM 0 HA THR A 52 5.421 3.889 3.157 1.00 0.00 H new ATOM 0 HB THR A 52 3.765 4.254 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.630 5.001 4.312 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.332 6.658 4.580 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.982 6.208 4.088 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.727 6.472 2.855 1.00 0.00 H new ATOM 746 N GLY A 53 2.784 2.009 2.468 1.00 0.00 N ATOM 747 CA GLY A 53 2.296 0.643 2.510 1.00 0.00 C ATOM 748 C GLY A 53 1.359 0.326 1.362 1.00 0.00 C ATOM 749 O GLY A 53 0.935 1.223 0.632 1.00 0.00 O ATOM 0 H GLY A 53 2.171 2.668 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.143 -0.043 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.778 0.474 3.454 1.00 0.00 H new ATOM 753 N TYR A 54 1.035 -0.952 1.200 1.00 0.00 N ATOM 754 CA TYR A 54 0.145 -1.385 0.130 1.00 0.00 C ATOM 755 C TYR A 54 -1.108 -2.044 0.697 1.00 0.00 C ATOM 756 O TYR A 54 -1.027 -2.963 1.513 1.00 0.00 O ATOM 757 CB TYR A 54 0.870 -2.358 -0.802 1.00 0.00 C ATOM 758 CG TYR A 54 1.912 -1.697 -1.676 1.00 0.00 C ATOM 759 CD1 TYR A 54 3.096 -1.213 -1.134 1.00 0.00 C ATOM 760 CD2 TYR A 54 1.711 -1.555 -3.044 1.00 0.00 C ATOM 761 CE1 TYR A 54 4.050 -0.607 -1.928 1.00 0.00 C ATOM 762 CE2 TYR A 54 2.661 -0.952 -3.846 1.00 0.00 C ATOM 763 CZ TYR A 54 3.828 -0.480 -3.284 1.00 0.00 C ATOM 764 OH TYR A 54 4.776 0.122 -4.079 1.00 0.00 O ATOM 0 H TYR A 54 1.376 -1.706 1.796 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.155 -0.504 -0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.349 -3.133 -0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.136 -2.854 -1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.274 -1.312 -0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.797 -1.922 -3.487 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.964 -0.235 -1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.490 -0.851 -4.908 1.00 0.00 H new ATOM 0 HH TYR A 54 4.466 0.131 -5.009 1.00 0.00 H new ATOM 774 N LYS A 55 -2.269 -1.569 0.257 1.00 0.00 N ATOM 775 CA LYS A 55 -3.542 -2.112 0.718 1.00 0.00 C ATOM 776 C LYS A 55 -4.023 -3.227 -0.205 1.00 0.00 C ATOM 777 O LYS A 55 -4.560 -2.966 -1.282 1.00 0.00 O ATOM 778 CB LYS A 55 -4.596 -1.005 0.790 1.00 0.00 C ATOM 779 CG LYS A 55 -5.645 -1.233 1.864 1.00 0.00 C ATOM 780 CD LYS A 55 -6.182 0.081 2.407 1.00 0.00 C ATOM 781 CE LYS A 55 -6.618 -0.052 3.858 1.00 0.00 C ATOM 782 NZ LYS A 55 -5.453 -0.142 4.781 1.00 0.00 N ATOM 0 H LYS A 55 -2.355 -0.809 -0.418 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.392 -2.528 1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.099 -0.053 0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.091 -0.923 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.466 -1.821 1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.213 -1.815 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.414 0.850 2.326 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.027 0.408 1.801 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.233 0.805 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.240 -0.940 3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.791 -0.283 5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.852 -0.944 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.901 0.738 4.730 1.00 0.00 H new ATOM 796 N ILE A 56 -3.828 -4.470 0.225 1.00 0.00 N ATOM 797 CA ILE A 56 -4.246 -5.624 -0.562 1.00 0.00 C ATOM 798 C ILE A 56 -5.570 -6.185 -0.055 1.00 0.00 C ATOM 799 O ILE A 56 -5.656 -6.679 1.069 1.00 0.00 O ATOM 800 CB ILE A 56 -3.183 -6.738 -0.533 1.00 0.00 C ATOM 801 CG1 ILE A 56 -1.838 -6.205 -1.030 1.00 0.00 C ATOM 802 CG2 ILE A 56 -3.634 -7.922 -1.377 1.00 0.00 C ATOM 803 CD1 ILE A 56 -0.648 -6.946 -0.464 1.00 0.00 C ATOM 0 H ILE A 56 -3.384 -4.703 1.113 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.371 -5.279 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.060 -7.075 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.811 -6.268 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.756 -5.150 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.873 -8.701 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.571 -8.315 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.782 -7.599 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.271 -6.514 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.650 -6.862 0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.706 -7.997 -0.746 1.00 0.00 H new ATOM 815 N ARG A 57 -6.598 -6.107 -0.893 1.00 0.00 N ATOM 816 CA ARG A 57 -7.919 -6.608 -0.531 1.00 0.00 C ATOM 817 C ARG A 57 -8.317 -7.784 -1.418 1.00 0.00 C ATOM 818 O ARG A 57 -7.995 -7.815 -2.606 1.00 0.00 O ATOM 819 CB ARG A 57 -8.960 -5.494 -0.646 1.00 0.00 C ATOM 820 CG ARG A 57 -8.872 -4.461 0.467 1.00 0.00 C ATOM 821 CD ARG A 57 -9.835 -3.308 0.233 1.00 0.00 C ATOM 822 NE ARG A 57 -11.167 -3.592 0.758 1.00 0.00 N ATOM 823 CZ ARG A 57 -12.043 -2.649 1.089 1.00 0.00 C ATOM 824 NH1 ARG A 57 -11.729 -1.369 0.948 1.00 0.00 N ATOM 825 NH2 ARG A 57 -13.237 -2.987 1.560 1.00 0.00 N ATOM 0 H ARG A 57 -6.542 -5.702 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.878 -6.952 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.839 -4.993 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.956 -5.937 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.095 -4.935 1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.853 -4.079 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.444 -2.407 0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.903 -3.103 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.440 -4.567 0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.813 -1.106 0.585 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.403 -0.647 1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.483 -3.971 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.909 -2.263 1.814 1.00 0.00 H new ATOM 839 N TYR A 58 -9.017 -8.749 -0.833 1.00 0.00 N ATOM 840 CA TYR A 58 -9.456 -9.929 -1.570 1.00 0.00 C ATOM 841 C TYR A 58 -10.871 -10.329 -1.163 1.00 0.00 C ATOM 842 O TYR A 58 -11.320 -10.028 -0.057 1.00 0.00 O ATOM 843 CB TYR A 58 -8.495 -11.094 -1.328 1.00 0.00 C ATOM 844 CG TYR A 58 -8.392 -11.502 0.124 1.00 0.00 C ATOM 845 CD1 TYR A 58 -7.510 -10.861 0.985 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.174 -12.530 0.635 1.00 0.00 C ATOM 847 CE1 TYR A 58 -7.411 -11.230 2.313 1.00 0.00 C ATOM 848 CE2 TYR A 58 -9.083 -12.906 1.961 1.00 0.00 C ATOM 849 CZ TYR A 58 -8.200 -12.253 2.796 1.00 0.00 C ATOM 850 OH TYR A 58 -8.106 -12.626 4.117 1.00 0.00 O ATOM 0 H TYR A 58 -9.293 -8.738 0.149 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.458 -9.684 -2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.822 -11.952 -1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.505 -10.818 -1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.891 -10.060 0.610 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.865 -13.044 -0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.720 -10.721 2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.700 -13.707 2.342 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.730 -13.360 4.295 1.00 0.00 H new ATOM 860 N ARG A 59 -11.569 -11.010 -2.066 1.00 0.00 N ATOM 861 CA ARG A 59 -12.933 -11.452 -1.804 1.00 0.00 C ATOM 862 C ARG A 59 -13.219 -12.777 -2.504 1.00 0.00 C ATOM 863 O ARG A 59 -12.358 -13.329 -3.189 1.00 0.00 O ATOM 864 CB ARG A 59 -13.933 -10.391 -2.267 1.00 0.00 C ATOM 865 CG ARG A 59 -13.907 -10.142 -3.766 1.00 0.00 C ATOM 866 CD ARG A 59 -14.943 -9.108 -4.177 1.00 0.00 C ATOM 867 NE ARG A 59 -15.058 -8.996 -5.629 1.00 0.00 N ATOM 868 CZ ARG A 59 -15.648 -7.977 -6.243 1.00 0.00 C ATOM 869 NH1 ARG A 59 -16.173 -6.986 -5.535 1.00 0.00 N ATOM 870 NH2 ARG A 59 -15.714 -7.947 -7.568 1.00 0.00 N ATOM 0 H ARG A 59 -11.212 -11.268 -2.986 1.00 0.00 H new ATOM 0 HA ARG A 59 -13.041 -11.599 -0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.937 -10.699 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -13.723 -9.456 -1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.915 -9.802 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.095 -11.077 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.912 -9.378 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.673 -8.138 -3.759 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.663 -9.741 -6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.124 -7.005 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.626 -6.204 -6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.311 -8.707 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.167 -7.164 -8.038 1.00 0.00 H new ATOM 884 N LYS A 60 -14.435 -13.283 -2.326 1.00 0.00 N ATOM 885 CA LYS A 60 -14.837 -14.543 -2.941 1.00 0.00 C ATOM 886 C LYS A 60 -15.464 -14.305 -4.311 1.00 0.00 C ATOM 887 O LYS A 60 -16.093 -13.273 -4.545 1.00 0.00 O ATOM 888 CB LYS A 60 -15.827 -15.282 -2.037 1.00 0.00 C ATOM 889 CG LYS A 60 -15.160 -16.199 -1.027 1.00 0.00 C ATOM 890 CD LYS A 60 -16.168 -16.780 -0.049 1.00 0.00 C ATOM 891 CE LYS A 60 -15.585 -17.953 0.723 1.00 0.00 C ATOM 892 NZ LYS A 60 -16.480 -18.389 1.830 1.00 0.00 N ATOM 0 H LYS A 60 -15.159 -12.840 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.945 -15.156 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.436 -14.551 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.504 -15.870 -2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.651 -17.009 -1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.398 -15.645 -0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.486 -16.006 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.056 -17.105 -0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.416 -18.788 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.614 -17.673 1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.047 -19.190 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.621 -17.601 2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.399 -18.681 1.439 1.00 0.00 H new ATOM 906 N ALA A 61 -15.289 -15.266 -5.212 1.00 0.00 N ATOM 907 CA ALA A 61 -15.841 -15.161 -6.557 1.00 0.00 C ATOM 908 C ALA A 61 -17.348 -15.392 -6.552 1.00 0.00 C ATOM 909 O ALA A 61 -18.074 -14.832 -7.373 1.00 0.00 O ATOM 910 CB ALA A 61 -15.156 -16.153 -7.486 1.00 0.00 C ATOM 0 H ALA A 61 -14.769 -16.126 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.657 -14.150 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.577 -16.064 -8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.088 -15.940 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.312 -17.166 -7.115 1.00 0.00 H new ATOM 916 N SER A 62 -17.812 -16.220 -5.621 1.00 0.00 N ATOM 917 CA SER A 62 -19.233 -16.528 -5.512 1.00 0.00 C ATOM 918 C SER A 62 -19.962 -15.453 -4.712 1.00 0.00 C ATOM 919 O SER A 62 -20.929 -14.858 -5.189 1.00 0.00 O ATOM 920 CB SER A 62 -19.431 -17.894 -4.852 1.00 0.00 C ATOM 921 OG SER A 62 -20.775 -18.070 -4.437 1.00 0.00 O ATOM 0 H SER A 62 -17.225 -16.689 -4.932 1.00 0.00 H new ATOM 0 HA SER A 62 -19.652 -16.554 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.157 -18.683 -5.552 1.00 0.00 H new ATOM 0 HB3 SER A 62 -18.767 -17.986 -3.993 1.00 0.00 H new ATOM 0 HG SER A 62 -20.876 -18.951 -4.020 1.00 0.00 H new ATOM 927 N ARG A 63 -19.492 -15.211 -3.493 1.00 0.00 N ATOM 928 CA ARG A 63 -20.099 -14.209 -2.625 1.00 0.00 C ATOM 929 C ARG A 63 -19.863 -12.803 -3.170 1.00 0.00 C ATOM 930 O ARG A 63 -20.798 -12.013 -3.305 1.00 0.00 O ATOM 931 CB ARG A 63 -19.533 -14.320 -1.208 1.00 0.00 C ATOM 932 CG ARG A 63 -20.375 -13.614 -0.159 1.00 0.00 C ATOM 933 CD ARG A 63 -21.425 -14.543 0.430 1.00 0.00 C ATOM 934 NE ARG A 63 -20.824 -15.677 1.127 1.00 0.00 N ATOM 935 CZ ARG A 63 -21.435 -16.353 2.094 1.00 0.00 C ATOM 936 NH1 ARG A 63 -22.658 -16.011 2.475 1.00 0.00 N ATOM 937 NH2 ARG A 63 -20.823 -17.373 2.681 1.00 0.00 N ATOM 0 H ARG A 63 -18.693 -15.695 -3.084 1.00 0.00 H new ATOM 0 HA ARG A 63 -21.173 -14.393 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -19.445 -15.374 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -18.526 -13.903 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.730 -13.241 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -20.863 -12.748 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.055 -13.985 1.122 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -22.073 -14.909 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 63 -19.884 -15.966 0.857 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.132 -15.227 2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -23.125 -16.531 3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -19.882 -17.639 2.390 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.293 -17.891 3.423 1.00 0.00 H new ATOM 951 N LYS A 64 -18.608 -12.498 -3.480 1.00 0.00 N ATOM 952 CA LYS A 64 -18.248 -11.188 -4.011 1.00 0.00 C ATOM 953 C LYS A 64 -18.845 -10.073 -3.158 1.00 0.00 C ATOM 954 O LYS A 64 -19.226 -9.022 -3.673 1.00 0.00 O ATOM 955 CB LYS A 64 -18.728 -11.051 -5.457 1.00 0.00 C ATOM 956 CG LYS A 64 -17.708 -11.514 -6.483 1.00 0.00 C ATOM 957 CD LYS A 64 -18.108 -11.104 -7.891 1.00 0.00 C ATOM 958 CE LYS A 64 -17.536 -12.055 -8.932 1.00 0.00 C ATOM 959 NZ LYS A 64 -17.958 -11.685 -10.311 1.00 0.00 N ATOM 0 H LYS A 64 -17.823 -13.140 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.162 -11.099 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -19.645 -11.627 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.978 -10.008 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.732 -11.092 -6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -17.607 -12.598 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -19.195 -11.086 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.757 -10.091 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.448 -12.049 -8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.861 -13.072 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.548 -12.356 -10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.995 -11.716 -10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.626 -10.724 -10.530 1.00 0.00 H new ATOM 973 N SER A 65 -18.921 -10.308 -1.853 1.00 0.00 N ATOM 974 CA SER A 65 -19.473 -9.324 -0.929 1.00 0.00 C ATOM 975 C SER A 65 -18.582 -9.173 0.300 1.00 0.00 C ATOM 976 O SER A 65 -18.428 -8.076 0.837 1.00 0.00 O ATOM 977 CB SER A 65 -20.886 -9.730 -0.503 1.00 0.00 C ATOM 978 OG SER A 65 -21.830 -9.428 -1.515 1.00 0.00 O ATOM 0 H SER A 65 -18.607 -11.172 -1.411 1.00 0.00 H new ATOM 0 HA SER A 65 -19.518 -8.364 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 65 -20.911 -10.798 -0.285 1.00 0.00 H new ATOM 0 HB3 SER A 65 -21.155 -9.211 0.417 1.00 0.00 H new ATOM 0 HG SER A 65 -22.724 -9.698 -1.219 1.00 0.00 H new ATOM 984 N ASP A 66 -17.999 -10.282 0.740 1.00 0.00 N ATOM 985 CA ASP A 66 -17.122 -10.274 1.905 1.00 0.00 C ATOM 986 C ASP A 66 -15.674 -10.027 1.494 1.00 0.00 C ATOM 987 O ASP A 66 -15.043 -10.875 0.863 1.00 0.00 O ATOM 988 CB ASP A 66 -17.231 -11.600 2.661 1.00 0.00 C ATOM 989 CG ASP A 66 -16.514 -11.566 3.996 1.00 0.00 C ATOM 990 OD1 ASP A 66 -15.292 -11.309 4.006 1.00 0.00 O ATOM 991 OD2 ASP A 66 -17.174 -11.796 5.031 1.00 0.00 O ATOM 0 H ASP A 66 -18.118 -11.198 0.308 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.438 -9.463 2.561 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -18.283 -11.837 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.814 -12.399 2.048 1.00 0.00 H new ATOM 996 N VAL A 67 -15.153 -8.859 1.856 1.00 0.00 N ATOM 997 CA VAL A 67 -13.779 -8.500 1.525 1.00 0.00 C ATOM 998 C VAL A 67 -12.950 -8.277 2.785 1.00 0.00 C ATOM 999 O VAL A 67 -13.420 -7.678 3.754 1.00 0.00 O ATOM 1000 CB VAL A 67 -13.725 -7.228 0.657 1.00 0.00 C ATOM 1001 CG1 VAL A 67 -12.329 -7.030 0.086 1.00 0.00 C ATOM 1002 CG2 VAL A 67 -14.760 -7.299 -0.456 1.00 0.00 C ATOM 0 H VAL A 67 -15.661 -8.145 2.378 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.361 -9.334 0.962 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.959 -6.369 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.310 -6.127 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.613 -6.932 0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.062 -7.889 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.708 -6.393 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.559 -8.166 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.756 -7.389 -0.022 1.00 0.00 H new ATOM 1012 N THR A 68 -11.713 -8.762 2.767 1.00 0.00 N ATOM 1013 CA THR A 68 -10.818 -8.617 3.908 1.00 0.00 C ATOM 1014 C THR A 68 -9.709 -7.614 3.612 1.00 0.00 C ATOM 1015 O THR A 68 -9.165 -7.584 2.509 1.00 0.00 O ATOM 1016 CB THR A 68 -10.184 -9.965 4.300 1.00 0.00 C ATOM 1017 OG1 THR A 68 -11.204 -10.959 4.454 1.00 0.00 O ATOM 1018 CG2 THR A 68 -9.396 -9.836 5.594 1.00 0.00 C ATOM 0 H THR A 68 -11.308 -9.259 1.974 1.00 0.00 H new ATOM 0 HA THR A 68 -11.422 -8.253 4.739 1.00 0.00 H new ATOM 0 HB THR A 68 -9.501 -10.265 3.506 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.793 -11.814 4.702 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.958 -10.800 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.603 -9.100 5.465 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.062 -9.515 6.395 1.00 0.00 H new ATOM 1026 N GLU A 69 -9.378 -6.795 4.606 1.00 0.00 N ATOM 1027 CA GLU A 69 -8.332 -5.790 4.450 1.00 0.00 C ATOM 1028 C GLU A 69 -6.982 -6.335 4.906 1.00 0.00 C ATOM 1029 O GLU A 69 -6.873 -6.948 5.969 1.00 0.00 O ATOM 1030 CB GLU A 69 -8.681 -4.531 5.246 1.00 0.00 C ATOM 1031 CG GLU A 69 -7.821 -3.329 4.894 1.00 0.00 C ATOM 1032 CD GLU A 69 -8.082 -2.140 5.797 1.00 0.00 C ATOM 1033 OE1 GLU A 69 -9.212 -1.610 5.767 1.00 0.00 O ATOM 1034 OE2 GLU A 69 -7.156 -1.738 6.532 1.00 0.00 O ATOM 0 H GLU A 69 -9.818 -6.807 5.526 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.263 -5.535 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.728 -4.281 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.575 -4.743 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.769 -3.607 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.009 -3.043 3.859 1.00 0.00 H new ATOM 1041 N THR A 70 -5.953 -6.107 4.095 1.00 0.00 N ATOM 1042 CA THR A 70 -4.611 -6.576 4.413 1.00 0.00 C ATOM 1043 C THR A 70 -3.565 -5.519 4.077 1.00 0.00 C ATOM 1044 O THR A 70 -3.330 -5.214 2.907 1.00 0.00 O ATOM 1045 CB THR A 70 -4.274 -7.874 3.654 1.00 0.00 C ATOM 1046 OG1 THR A 70 -5.236 -8.888 3.967 1.00 0.00 O ATOM 1047 CG2 THR A 70 -2.879 -8.364 4.011 1.00 0.00 C ATOM 0 H THR A 70 -6.024 -5.600 3.213 1.00 0.00 H new ATOM 0 HA THR A 70 -4.592 -6.775 5.485 1.00 0.00 H new ATOM 0 HB THR A 70 -4.304 -7.662 2.585 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.016 -9.709 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 70 -2.664 -9.281 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.146 -7.602 3.745 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.825 -8.560 5.082 1.00 0.00 H new ATOM 1055 N LEU A 71 -2.940 -4.963 5.108 1.00 0.00 N ATOM 1056 CA LEU A 71 -1.918 -3.939 4.922 1.00 0.00 C ATOM 1057 C LEU A 71 -0.520 -4.544 5.003 1.00 0.00 C ATOM 1058 O LEU A 71 -0.284 -5.490 5.755 1.00 0.00 O ATOM 1059 CB LEU A 71 -2.071 -2.840 5.975 1.00 0.00 C ATOM 1060 CG LEU A 71 -1.261 -1.565 5.737 1.00 0.00 C ATOM 1061 CD1 LEU A 71 -1.742 -0.852 4.483 1.00 0.00 C ATOM 1062 CD2 LEU A 71 -1.350 -0.643 6.945 1.00 0.00 C ATOM 0 H LEU A 71 -3.123 -5.204 6.082 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.050 -3.505 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.125 -2.570 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.788 -3.251 6.944 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.217 -1.843 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.154 0.053 4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.625 -1.511 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.793 -0.586 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.768 0.259 6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.391 -0.373 7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.955 -1.154 7.823 1.00 0.00 H new ATOM 1074 N VAL A 72 0.405 -3.991 4.225 1.00 0.00 N ATOM 1075 CA VAL A 72 1.781 -4.474 4.210 1.00 0.00 C ATOM 1076 C VAL A 72 2.770 -3.314 4.238 1.00 0.00 C ATOM 1077 O VAL A 72 2.376 -2.148 4.248 1.00 0.00 O ATOM 1078 CB VAL A 72 2.058 -5.342 2.969 1.00 0.00 C ATOM 1079 CG1 VAL A 72 1.225 -6.614 3.010 1.00 0.00 C ATOM 1080 CG2 VAL A 72 1.782 -4.555 1.697 1.00 0.00 C ATOM 0 H VAL A 72 0.226 -3.208 3.596 1.00 0.00 H new ATOM 0 HA VAL A 72 1.913 -5.082 5.105 1.00 0.00 H new ATOM 0 HB VAL A 72 3.110 -5.626 2.973 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.434 -7.215 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.477 -7.185 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.166 -6.355 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.983 -5.184 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.739 -4.240 1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.426 -3.677 1.666 1.00 0.00 H new ATOM 1090 N SER A 73 4.058 -3.643 4.249 1.00 0.00 N ATOM 1091 CA SER A 73 5.106 -2.629 4.278 1.00 0.00 C ATOM 1092 C SER A 73 5.336 -2.046 2.887 1.00 0.00 C ATOM 1093 O SER A 73 5.064 -2.693 1.877 1.00 0.00 O ATOM 1094 CB SER A 73 6.408 -3.225 4.815 1.00 0.00 C ATOM 1095 OG SER A 73 7.296 -2.208 5.245 1.00 0.00 O ATOM 0 H SER A 73 4.401 -4.604 4.238 1.00 0.00 H new ATOM 0 HA SER A 73 4.782 -1.827 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.189 -3.896 5.646 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.885 -3.824 4.039 1.00 0.00 H new ATOM 0 HG SER A 73 8.120 -2.615 5.585 1.00 0.00 H new ATOM 1101 N GLY A 74 5.840 -0.816 2.844 1.00 0.00 N ATOM 1102 CA GLY A 74 6.098 -0.164 1.573 1.00 0.00 C ATOM 1103 C GLY A 74 7.064 -0.948 0.706 1.00 0.00 C ATOM 1104 O GLY A 74 6.718 -1.371 -0.397 1.00 0.00 O ATOM 0 H GLY A 74 6.074 -0.260 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.158 -0.033 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 74 6.503 0.832 1.754 1.00 0.00 H new ATOM 1108 N THR A 75 8.282 -1.141 1.205 1.00 0.00 N ATOM 1109 CA THR A 75 9.302 -1.875 0.468 1.00 0.00 C ATOM 1110 C THR A 75 8.865 -3.313 0.209 1.00 0.00 C ATOM 1111 O THR A 75 9.405 -3.986 -0.669 1.00 0.00 O ATOM 1112 CB THR A 75 10.643 -1.886 1.225 1.00 0.00 C ATOM 1113 OG1 THR A 75 11.611 -2.649 0.495 1.00 0.00 O ATOM 1114 CG2 THR A 75 10.474 -2.473 2.618 1.00 0.00 C ATOM 0 H THR A 75 8.585 -0.799 2.117 1.00 0.00 H new ATOM 0 HA THR A 75 9.435 -1.362 -0.484 1.00 0.00 H new ATOM 0 HB THR A 75 10.989 -0.857 1.321 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.154 -3.214 -0.162 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.435 -2.470 3.133 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.759 -1.874 3.181 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.107 -3.497 2.540 1.00 0.00 H new ATOM 1122 N GLN A 76 7.886 -3.776 0.978 1.00 0.00 N ATOM 1123 CA GLN A 76 7.377 -5.135 0.831 1.00 0.00 C ATOM 1124 C GLN A 76 6.540 -5.269 -0.437 1.00 0.00 C ATOM 1125 O GLN A 76 5.448 -4.707 -0.535 1.00 0.00 O ATOM 1126 CB GLN A 76 6.541 -5.524 2.052 1.00 0.00 C ATOM 1127 CG GLN A 76 5.819 -6.852 1.896 1.00 0.00 C ATOM 1128 CD GLN A 76 5.589 -7.551 3.222 1.00 0.00 C ATOM 1129 OE1 GLN A 76 6.508 -7.697 4.027 1.00 0.00 O ATOM 1130 NE2 GLN A 76 4.357 -7.987 3.455 1.00 0.00 N ATOM 0 H GLN A 76 7.429 -3.231 1.709 1.00 0.00 H new ATOM 0 HA GLN A 76 8.230 -5.809 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.190 -5.573 2.926 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.807 -4.741 2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.859 -6.684 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.400 -7.503 1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.625 -7.844 2.759 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.142 -8.465 4.330 1.00 0.00 H new ATOM 1139 N LEU A 77 7.059 -6.015 -1.406 1.00 0.00 N ATOM 1140 CA LEU A 77 6.360 -6.222 -2.669 1.00 0.00 C ATOM 1141 C LEU A 77 5.752 -7.620 -2.732 1.00 0.00 C ATOM 1142 O LEU A 77 5.564 -8.178 -3.813 1.00 0.00 O ATOM 1143 CB LEU A 77 7.317 -6.017 -3.844 1.00 0.00 C ATOM 1144 CG LEU A 77 8.026 -4.664 -3.904 1.00 0.00 C ATOM 1145 CD1 LEU A 77 9.163 -4.701 -4.913 1.00 0.00 C ATOM 1146 CD2 LEU A 77 7.039 -3.559 -4.251 1.00 0.00 C ATOM 0 H LEU A 77 7.961 -6.486 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 77 5.554 -5.491 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.074 -6.800 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.758 -6.153 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 77 8.447 -4.453 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.656 -3.729 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.884 -5.465 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.766 -4.936 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.562 -2.603 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.588 -3.765 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.259 -3.516 -3.491 1.00 0.00 H new ATOM 1158 N SER A 78 5.445 -8.179 -1.565 1.00 0.00 N ATOM 1159 CA SER A 78 4.860 -9.512 -1.487 1.00 0.00 C ATOM 1160 C SER A 78 3.972 -9.644 -0.254 1.00 0.00 C ATOM 1161 O SER A 78 4.130 -8.907 0.719 1.00 0.00 O ATOM 1162 CB SER A 78 5.960 -10.574 -1.454 1.00 0.00 C ATOM 1163 OG SER A 78 6.786 -10.417 -0.313 1.00 0.00 O ATOM 0 H SER A 78 5.592 -7.729 -0.661 1.00 0.00 H new ATOM 0 HA SER A 78 4.245 -9.664 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.511 -11.567 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.565 -10.503 -2.358 1.00 0.00 H new ATOM 0 HG SER A 78 7.480 -11.109 -0.314 1.00 0.00 H new ATOM 1169 N GLN A 79 3.038 -10.589 -0.303 1.00 0.00 N ATOM 1170 CA GLN A 79 2.124 -10.817 0.810 1.00 0.00 C ATOM 1171 C GLN A 79 1.531 -12.221 0.748 1.00 0.00 C ATOM 1172 O GLN A 79 1.121 -12.686 -0.316 1.00 0.00 O ATOM 1173 CB GLN A 79 1.004 -9.776 0.800 1.00 0.00 C ATOM 1174 CG GLN A 79 0.065 -9.881 1.991 1.00 0.00 C ATOM 1175 CD GLN A 79 0.800 -9.877 3.316 1.00 0.00 C ATOM 1176 OE1 GLN A 79 1.957 -9.461 3.396 1.00 0.00 O ATOM 1177 NE2 GLN A 79 0.132 -10.340 4.366 1.00 0.00 N ATOM 0 H GLN A 79 2.895 -11.208 -1.101 1.00 0.00 H new ATOM 0 HA GLN A 79 2.689 -10.722 1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.446 -8.780 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.427 -9.885 -0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.639 -9.049 1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.520 -10.797 1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.825 -10.675 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.576 -10.361 5.284 1.00 0.00 H new ATOM 1186 N LEU A 80 1.487 -12.891 1.894 1.00 0.00 N ATOM 1187 CA LEU A 80 0.944 -14.243 1.970 1.00 0.00 C ATOM 1188 C LEU A 80 -0.435 -14.239 2.622 1.00 0.00 C ATOM 1189 O LEU A 80 -0.567 -13.974 3.817 1.00 0.00 O ATOM 1190 CB LEU A 80 1.890 -15.150 2.758 1.00 0.00 C ATOM 1191 CG LEU A 80 1.634 -16.653 2.638 1.00 0.00 C ATOM 1192 CD1 LEU A 80 1.832 -17.116 1.203 1.00 0.00 C ATOM 1193 CD2 LEU A 80 2.544 -17.427 3.580 1.00 0.00 C ATOM 0 H LEU A 80 1.821 -12.520 2.784 1.00 0.00 H new ATOM 0 HA LEU A 80 0.845 -14.626 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.910 -14.948 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.832 -14.875 3.811 1.00 0.00 H new ATOM 0 HG LEU A 80 0.600 -16.849 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.645 -18.188 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.138 -16.586 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.855 -16.906 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.347 -18.494 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.585 -17.225 3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.353 -17.117 4.607 1.00 0.00 H new ATOM 1205 N ILE A 81 -1.459 -14.537 1.829 1.00 0.00 N ATOM 1206 CA ILE A 81 -2.827 -14.571 2.330 1.00 0.00 C ATOM 1207 C ILE A 81 -3.235 -15.988 2.718 1.00 0.00 C ATOM 1208 O ILE A 81 -3.692 -16.765 1.879 1.00 0.00 O ATOM 1209 CB ILE A 81 -3.823 -14.030 1.287 1.00 0.00 C ATOM 1210 CG1 ILE A 81 -3.461 -12.594 0.901 1.00 0.00 C ATOM 1211 CG2 ILE A 81 -5.244 -14.098 1.825 1.00 0.00 C ATOM 1212 CD1 ILE A 81 -3.554 -11.618 2.053 1.00 0.00 C ATOM 0 H ILE A 81 -1.367 -14.758 0.838 1.00 0.00 H new ATOM 0 HA ILE A 81 -2.855 -13.932 3.213 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.764 -14.652 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.447 -12.578 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.123 -12.263 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.935 -13.712 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.497 -15.133 2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.319 -13.497 2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.284 -10.620 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.574 -11.605 2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.871 -11.925 2.846 1.00 0.00 H new ATOM 1224 N GLU A 82 -3.069 -16.318 3.995 1.00 0.00 N ATOM 1225 CA GLU A 82 -3.421 -17.642 4.494 1.00 0.00 C ATOM 1226 C GLU A 82 -4.849 -17.658 5.033 1.00 0.00 C ATOM 1227 O GLU A 82 -5.415 -16.614 5.355 1.00 0.00 O ATOM 1228 CB GLU A 82 -2.446 -18.074 5.591 1.00 0.00 C ATOM 1229 CG GLU A 82 -1.000 -18.139 5.128 1.00 0.00 C ATOM 1230 CD GLU A 82 -0.023 -18.253 6.282 1.00 0.00 C ATOM 1231 OE1 GLU A 82 -0.083 -17.406 7.197 1.00 0.00 O ATOM 1232 OE2 GLU A 82 0.803 -19.190 6.268 1.00 0.00 O ATOM 0 H GLU A 82 -2.693 -15.687 4.703 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.356 -18.344 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.520 -17.378 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.744 -19.054 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.873 -18.994 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.768 -17.246 4.547 1.00 0.00 H new ATOM 1239 N GLY A 83 -5.426 -18.852 5.129 1.00 0.00 N ATOM 1240 CA GLY A 83 -6.782 -18.983 5.629 1.00 0.00 C ATOM 1241 C GLY A 83 -7.813 -18.964 4.518 1.00 0.00 C ATOM 1242 O GLY A 83 -8.837 -18.286 4.622 1.00 0.00 O ATOM 0 H GLY A 83 -4.978 -19.731 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.872 -19.914 6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -6.989 -18.171 6.327 1.00 0.00 H new ATOM 1246 N LEU A 84 -7.545 -19.709 3.451 1.00 0.00 N ATOM 1247 CA LEU A 84 -8.457 -19.774 2.314 1.00 0.00 C ATOM 1248 C LEU A 84 -8.994 -21.190 2.128 1.00 0.00 C ATOM 1249 O LEU A 84 -8.716 -22.080 2.932 1.00 0.00 O ATOM 1250 CB LEU A 84 -7.748 -19.314 1.039 1.00 0.00 C ATOM 1251 CG LEU A 84 -7.040 -17.961 1.116 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -5.868 -17.916 0.148 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -8.018 -16.831 0.825 1.00 0.00 C ATOM 0 H LEU A 84 -6.704 -20.277 3.349 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.297 -19.109 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.014 -20.071 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.482 -19.272 0.234 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.655 -17.831 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.376 -16.946 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.157 -18.702 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.230 -18.068 -0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.498 -15.875 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.433 -16.957 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.825 -16.851 1.557 1.00 0.00 H new ATOM 1265 N ASP A 85 -9.763 -21.390 1.064 1.00 0.00 N ATOM 1266 CA ASP A 85 -10.337 -22.698 0.770 1.00 0.00 C ATOM 1267 C ASP A 85 -9.681 -23.315 -0.461 1.00 0.00 C ATOM 1268 O ASP A 85 -8.993 -22.631 -1.219 1.00 0.00 O ATOM 1269 CB ASP A 85 -11.847 -22.579 0.553 1.00 0.00 C ATOM 1270 CG ASP A 85 -12.591 -23.835 0.961 1.00 0.00 C ATOM 1271 OD1 ASP A 85 -11.982 -24.925 0.921 1.00 0.00 O ATOM 1272 OD2 ASP A 85 -13.782 -23.728 1.320 1.00 0.00 O ATOM 0 H ASP A 85 -10.004 -20.663 0.390 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.151 -23.349 1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.228 -21.733 1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.045 -22.368 -0.498 1.00 0.00 H new ATOM 1277 N ARG A 86 -9.897 -24.613 -0.652 1.00 0.00 N ATOM 1278 CA ARG A 86 -9.324 -25.323 -1.789 1.00 0.00 C ATOM 1279 C ARG A 86 -10.268 -25.282 -2.987 1.00 0.00 C ATOM 1280 O ARG A 86 -11.453 -24.978 -2.847 1.00 0.00 O ATOM 1281 CB ARG A 86 -9.025 -26.775 -1.412 1.00 0.00 C ATOM 1282 CG ARG A 86 -10.237 -27.533 -0.897 1.00 0.00 C ATOM 1283 CD ARG A 86 -10.144 -29.017 -1.219 1.00 0.00 C ATOM 1284 NE ARG A 86 -11.250 -29.773 -0.638 1.00 0.00 N ATOM 1285 CZ ARG A 86 -11.392 -31.087 -0.772 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -10.504 -31.786 -1.464 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -12.425 -31.704 -0.213 1.00 0.00 N ATOM 0 H ARG A 86 -10.464 -25.194 -0.034 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.393 -24.827 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.627 -27.293 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.246 -26.790 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.321 -27.398 0.181 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.142 -27.119 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.140 -29.154 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.199 -29.411 -0.844 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.952 -29.264 -0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.709 -31.315 -1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.616 -32.795 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.111 -31.169 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.533 -32.713 -0.316 1.00 0.00 H new ATOM 1301 N GLY A 87 -9.735 -25.588 -4.166 1.00 0.00 N ATOM 1302 CA GLY A 87 -10.543 -25.580 -5.371 1.00 0.00 C ATOM 1303 C GLY A 87 -11.601 -24.494 -5.352 1.00 0.00 C ATOM 1304 O GLY A 87 -12.770 -24.750 -5.640 1.00 0.00 O ATOM 0 H GLY A 87 -8.757 -25.841 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.897 -25.438 -6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.025 -26.551 -5.488 1.00 0.00 H new ATOM 1308 N THR A 88 -11.191 -23.276 -5.010 1.00 0.00 N ATOM 1309 CA THR A 88 -12.112 -22.148 -4.951 1.00 0.00 C ATOM 1310 C THR A 88 -11.470 -20.885 -5.514 1.00 0.00 C ATOM 1311 O THR A 88 -10.386 -20.487 -5.090 1.00 0.00 O ATOM 1312 CB THR A 88 -12.575 -21.876 -3.508 1.00 0.00 C ATOM 1313 OG1 THR A 88 -13.320 -22.994 -3.013 1.00 0.00 O ATOM 1314 CG2 THR A 88 -13.431 -20.620 -3.442 1.00 0.00 C ATOM 0 H THR A 88 -10.227 -23.046 -4.770 1.00 0.00 H new ATOM 0 HA THR A 88 -12.978 -22.414 -5.558 1.00 0.00 H new ATOM 0 HB THR A 88 -11.691 -21.727 -2.888 1.00 0.00 H new ATOM 0 HG1 THR A 88 -12.723 -23.763 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.746 -20.448 -2.413 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.851 -19.766 -3.791 1.00 0.00 H new ATOM 0 HG23 THR A 88 -14.310 -20.745 -4.075 1.00 0.00 H new ATOM 1322 N GLU A 89 -12.148 -20.259 -6.471 1.00 0.00 N ATOM 1323 CA GLU A 89 -11.643 -19.040 -7.092 1.00 0.00 C ATOM 1324 C GLU A 89 -11.731 -17.861 -6.127 1.00 0.00 C ATOM 1325 O GLU A 89 -12.698 -17.730 -5.377 1.00 0.00 O ATOM 1326 CB GLU A 89 -12.427 -18.728 -8.368 1.00 0.00 C ATOM 1327 CG GLU A 89 -11.937 -17.488 -9.096 1.00 0.00 C ATOM 1328 CD GLU A 89 -12.459 -17.400 -10.517 1.00 0.00 C ATOM 1329 OE1 GLU A 89 -11.799 -17.948 -11.425 1.00 0.00 O ATOM 1330 OE2 GLU A 89 -13.526 -16.785 -10.721 1.00 0.00 O ATOM 0 H GLU A 89 -13.048 -20.576 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.596 -19.201 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.364 -19.583 -9.041 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.479 -18.598 -8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.247 -16.601 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.847 -17.488 -9.113 1.00 0.00 H new ATOM 1337 N TYR A 90 -10.714 -17.007 -6.152 1.00 0.00 N ATOM 1338 CA TYR A 90 -10.674 -15.840 -5.278 1.00 0.00 C ATOM 1339 C TYR A 90 -10.164 -14.614 -6.029 1.00 0.00 C ATOM 1340 O TYR A 90 -9.316 -14.723 -6.914 1.00 0.00 O ATOM 1341 CB TYR A 90 -9.784 -16.116 -4.065 1.00 0.00 C ATOM 1342 CG TYR A 90 -10.455 -16.954 -3.000 1.00 0.00 C ATOM 1343 CD1 TYR A 90 -11.258 -16.368 -2.030 1.00 0.00 C ATOM 1344 CD2 TYR A 90 -10.286 -18.333 -2.965 1.00 0.00 C ATOM 1345 CE1 TYR A 90 -11.872 -17.130 -1.055 1.00 0.00 C ATOM 1346 CE2 TYR A 90 -10.897 -19.103 -1.995 1.00 0.00 C ATOM 1347 CZ TYR A 90 -11.689 -18.497 -1.041 1.00 0.00 C ATOM 1348 OH TYR A 90 -12.300 -19.259 -0.072 1.00 0.00 O ATOM 0 H TYR A 90 -9.906 -17.101 -6.768 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.689 -15.638 -4.937 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.878 -16.623 -4.397 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.476 -15.166 -3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.405 -15.298 -2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.666 -18.811 -3.709 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -12.492 -16.658 -0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.756 -20.174 -1.983 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.489 -20.152 -0.429 1.00 0.00 H new ATOM 1358 N ASN A 91 -10.688 -13.447 -5.668 1.00 0.00 N ATOM 1359 CA ASN A 91 -10.286 -12.199 -6.307 1.00 0.00 C ATOM 1360 C ASN A 91 -9.430 -11.358 -5.365 1.00 0.00 C ATOM 1361 O ASN A 91 -9.756 -11.196 -4.189 1.00 0.00 O ATOM 1362 CB ASN A 91 -11.519 -11.404 -6.740 1.00 0.00 C ATOM 1363 CG ASN A 91 -11.964 -11.749 -8.148 1.00 0.00 C ATOM 1364 OD1 ASN A 91 -12.115 -10.869 -8.996 1.00 0.00 O ATOM 1365 ND2 ASN A 91 -12.177 -13.034 -8.403 1.00 0.00 N ATOM 0 H ASN A 91 -11.391 -13.339 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.693 -12.445 -7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.336 -11.599 -6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.299 -10.338 -6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.478 -13.326 -9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.039 -13.729 -7.669 1.00 0.00 H new ATOM 1372 N PHE A 92 -8.333 -10.823 -5.892 1.00 0.00 N ATOM 1373 CA PHE A 92 -7.428 -9.998 -5.099 1.00 0.00 C ATOM 1374 C PHE A 92 -7.152 -8.669 -5.797 1.00 0.00 C ATOM 1375 O PHE A 92 -7.395 -8.523 -6.995 1.00 0.00 O ATOM 1376 CB PHE A 92 -6.113 -10.740 -4.850 1.00 0.00 C ATOM 1377 CG PHE A 92 -6.288 -12.041 -4.121 1.00 0.00 C ATOM 1378 CD1 PHE A 92 -6.807 -13.150 -4.771 1.00 0.00 C ATOM 1379 CD2 PHE A 92 -5.935 -12.156 -2.786 1.00 0.00 C ATOM 1380 CE1 PHE A 92 -6.969 -14.349 -4.103 1.00 0.00 C ATOM 1381 CE2 PHE A 92 -6.094 -13.353 -2.114 1.00 0.00 C ATOM 1382 CZ PHE A 92 -6.613 -14.451 -2.773 1.00 0.00 C ATOM 0 H PHE A 92 -8.049 -10.946 -6.864 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.907 -9.793 -4.142 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.626 -10.931 -5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.446 -10.098 -4.275 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.088 -13.076 -5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.531 -11.301 -2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -7.374 -15.206 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.813 -13.430 -1.074 1.00 0.00 H new ATOM 0 HZ PHE A 92 -6.740 -15.387 -2.249 1.00 0.00 H new ATOM 1392 N ARG A 93 -6.642 -7.704 -5.038 1.00 0.00 N ATOM 1393 CA ARG A 93 -6.334 -6.387 -5.582 1.00 0.00 C ATOM 1394 C ARG A 93 -5.285 -5.679 -4.730 1.00 0.00 C ATOM 1395 O ARG A 93 -5.463 -5.506 -3.524 1.00 0.00 O ATOM 1396 CB ARG A 93 -7.602 -5.535 -5.662 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.074 -5.018 -4.313 1.00 0.00 C ATOM 1398 CD ARG A 93 -9.423 -4.324 -4.424 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.445 -3.339 -5.502 1.00 0.00 N ATOM 1400 CZ ARG A 93 -10.512 -2.611 -5.811 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -11.638 -2.755 -5.126 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -10.454 -1.735 -6.806 1.00 0.00 N ATOM 0 H ARG A 93 -6.434 -7.810 -4.045 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.931 -6.521 -6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.419 -4.688 -6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.399 -6.126 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.147 -5.847 -3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.338 -4.322 -3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.200 -5.068 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.657 -3.833 -3.479 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.594 -3.203 -6.048 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.686 -3.426 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.456 -2.195 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.589 -1.620 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.274 -1.177 -7.042 1.00 0.00 H new ATOM 1416 N VAL A 94 -4.191 -5.270 -5.365 1.00 0.00 N ATOM 1417 CA VAL A 94 -3.114 -4.580 -4.666 1.00 0.00 C ATOM 1418 C VAL A 94 -3.153 -3.081 -4.940 1.00 0.00 C ATOM 1419 O VAL A 94 -3.315 -2.653 -6.082 1.00 0.00 O ATOM 1420 CB VAL A 94 -1.735 -5.131 -5.076 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -0.624 -4.359 -4.382 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -1.640 -6.616 -4.762 1.00 0.00 C ATOM 0 H VAL A 94 -4.028 -5.405 -6.363 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.264 -4.755 -3.601 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.617 -5.002 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.343 -4.762 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.682 -3.307 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.735 -4.453 -3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.659 -6.989 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -1.779 -6.771 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.413 -7.154 -5.310 1.00 0.00 H new ATOM 1432 N ALA A 95 -3.001 -2.288 -3.885 1.00 0.00 N ATOM 1433 CA ALA A 95 -3.016 -0.836 -4.012 1.00 0.00 C ATOM 1434 C ALA A 95 -1.867 -0.205 -3.232 1.00 0.00 C ATOM 1435 O ALA A 95 -1.473 -0.702 -2.178 1.00 0.00 O ATOM 1436 CB ALA A 95 -4.349 -0.278 -3.536 1.00 0.00 C ATOM 0 H ALA A 95 -2.866 -2.627 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.886 -0.587 -5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.346 0.807 -3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.155 -0.696 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.503 -0.545 -2.490 1.00 0.00 H new ATOM 1442 N ALA A 96 -1.334 0.893 -3.759 1.00 0.00 N ATOM 1443 CA ALA A 96 -0.231 1.592 -3.111 1.00 0.00 C ATOM 1444 C ALA A 96 -0.740 2.752 -2.262 1.00 0.00 C ATOM 1445 O ALA A 96 -1.618 3.506 -2.685 1.00 0.00 O ATOM 1446 CB ALA A 96 0.761 2.092 -4.151 1.00 0.00 C ATOM 0 H ALA A 96 -1.648 1.317 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 96 0.276 0.888 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.579 2.612 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.157 1.246 -4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.258 2.777 -4.834 1.00 0.00 H new ATOM 1452 N LEU A 97 -0.184 2.891 -1.064 1.00 0.00 N ATOM 1453 CA LEU A 97 -0.582 3.960 -0.154 1.00 0.00 C ATOM 1454 C LEU A 97 0.558 4.952 0.052 1.00 0.00 C ATOM 1455 O LEU A 97 1.729 4.574 0.071 1.00 0.00 O ATOM 1456 CB LEU A 97 -1.015 3.376 1.192 1.00 0.00 C ATOM 1457 CG LEU A 97 -2.040 2.243 1.134 1.00 0.00 C ATOM 1458 CD1 LEU A 97 -1.907 1.340 2.350 1.00 0.00 C ATOM 1459 CD2 LEU A 97 -3.451 2.805 1.036 1.00 0.00 C ATOM 0 H LEU A 97 0.544 2.277 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.424 4.490 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.128 3.010 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.428 4.182 1.799 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.845 1.647 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.645 0.540 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.906 0.910 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.075 1.922 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.167 1.985 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.657 3.424 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.540 3.409 0.133 1.00 0.00 H new ATOM 1471 N THR A 98 0.206 6.225 0.208 1.00 0.00 N ATOM 1472 CA THR A 98 1.199 7.272 0.414 1.00 0.00 C ATOM 1473 C THR A 98 0.718 8.292 1.439 1.00 0.00 C ATOM 1474 O THR A 98 -0.428 8.242 1.888 1.00 0.00 O ATOM 1475 CB THR A 98 1.528 8.001 -0.903 1.00 0.00 C ATOM 1476 OG1 THR A 98 0.354 8.638 -1.417 1.00 0.00 O ATOM 1477 CG2 THR A 98 2.078 7.029 -1.936 1.00 0.00 C ATOM 0 H THR A 98 -0.759 6.555 0.196 1.00 0.00 H new ATOM 0 HA THR A 98 2.100 6.784 0.786 1.00 0.00 H new ATOM 0 HB THR A 98 2.288 8.755 -0.696 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.554 9.575 -1.624 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.303 7.566 -2.857 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.988 6.568 -1.553 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.337 6.256 -2.139 1.00 0.00 H new ATOM 1485 N ILE A 99 1.599 9.217 1.806 1.00 0.00 N ATOM 1486 CA ILE A 99 1.262 10.250 2.777 1.00 0.00 C ATOM 1487 C ILE A 99 -0.033 10.960 2.398 1.00 0.00 C ATOM 1488 O ILE A 99 -0.857 11.271 3.257 1.00 0.00 O ATOM 1489 CB ILE A 99 2.388 11.293 2.903 1.00 0.00 C ATOM 1490 CG1 ILE A 99 2.053 12.307 3.998 1.00 0.00 C ATOM 1491 CG2 ILE A 99 2.610 11.996 1.572 1.00 0.00 C ATOM 1492 CD1 ILE A 99 2.354 11.811 5.395 1.00 0.00 C ATOM 0 H ILE A 99 2.552 9.272 1.445 1.00 0.00 H new ATOM 0 HA ILE A 99 1.132 9.750 3.737 1.00 0.00 H new ATOM 0 HB ILE A 99 3.309 10.780 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.615 13.223 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.996 12.564 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.409 12.730 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.888 11.263 0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.692 12.500 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.092 12.582 6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.771 10.912 5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.416 11.581 5.479 1.00 0.00 H new ATOM 1504 N ASN A 100 -0.207 11.212 1.104 1.00 0.00 N ATOM 1505 CA ASN A 100 -1.403 11.884 0.610 1.00 0.00 C ATOM 1506 C ASN A 100 -2.658 11.092 0.963 1.00 0.00 C ATOM 1507 O ASN A 100 -3.751 11.648 1.054 1.00 0.00 O ATOM 1508 CB ASN A 100 -1.316 12.076 -0.906 1.00 0.00 C ATOM 1509 CG ASN A 100 0.080 12.452 -1.362 1.00 0.00 C ATOM 1510 OD1 ASN A 100 0.662 11.794 -2.225 1.00 0.00 O ATOM 1511 ND2 ASN A 100 0.625 13.516 -0.783 1.00 0.00 N ATOM 0 H ASN A 100 0.465 10.961 0.379 1.00 0.00 H new ATOM 0 HA ASN A 100 -1.465 12.861 1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.622 11.156 -1.404 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -2.017 12.853 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.562 13.817 -1.049 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.106 14.032 -0.072 1.00 0.00 H new ATOM 1518 N GLY A 101 -2.491 9.787 1.161 1.00 0.00 N ATOM 1519 CA GLY A 101 -3.618 8.939 1.502 1.00 0.00 C ATOM 1520 C GLY A 101 -3.530 7.570 0.856 1.00 0.00 C ATOM 1521 O GLY A 101 -2.547 6.851 1.039 1.00 0.00 O ATOM 0 H GLY A 101 -1.596 9.303 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.668 8.824 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.542 9.426 1.191 1.00 0.00 H new ATOM 1525 N THR A 102 -4.561 7.206 0.100 1.00 0.00 N ATOM 1526 CA THR A 102 -4.597 5.914 -0.572 1.00 0.00 C ATOM 1527 C THR A 102 -4.247 6.052 -2.049 1.00 0.00 C ATOM 1528 O THR A 102 -4.163 7.161 -2.576 1.00 0.00 O ATOM 1529 CB THR A 102 -5.982 5.253 -0.444 1.00 0.00 C ATOM 1530 OG1 THR A 102 -6.974 6.067 -1.079 1.00 0.00 O ATOM 1531 CG2 THR A 102 -6.349 5.044 1.017 1.00 0.00 C ATOM 0 H THR A 102 -5.382 7.789 -0.062 1.00 0.00 H new ATOM 0 HA THR A 102 -3.855 5.283 -0.083 1.00 0.00 H new ATOM 0 HB THR A 102 -5.943 4.280 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.851 5.639 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.331 4.576 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.608 4.400 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.371 6.007 1.528 1.00 0.00 H new ATOM 1539 N GLY A 103 -4.044 4.918 -2.714 1.00 0.00 N ATOM 1540 CA GLY A 103 -3.706 4.936 -4.125 1.00 0.00 C ATOM 1541 C GLY A 103 -4.592 4.019 -4.945 1.00 0.00 C ATOM 1542 O GLY A 103 -5.591 3.489 -4.459 1.00 0.00 O ATOM 0 H GLY A 103 -4.108 3.988 -2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.793 5.954 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.665 4.638 -4.250 1.00 0.00 H new ATOM 1546 N PRO A 104 -4.227 3.822 -6.220 1.00 0.00 N ATOM 1547 CA PRO A 104 -4.984 2.964 -7.137 1.00 0.00 C ATOM 1548 C PRO A 104 -4.871 1.487 -6.774 1.00 0.00 C ATOM 1549 O PRO A 104 -4.048 1.103 -5.944 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.331 3.232 -8.495 1.00 0.00 C ATOM 1551 CG PRO A 104 -2.947 3.677 -8.168 1.00 0.00 C ATOM 1552 CD PRO A 104 -3.048 4.422 -6.866 1.00 0.00 C ATOM 0 HA PRO A 104 -6.052 3.183 -7.112 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.323 2.335 -9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -4.872 3.998 -9.050 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -2.274 2.824 -8.078 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -2.547 4.318 -8.954 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.150 4.296 -6.260 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.178 5.493 -7.025 1.00 0.00 H new ATOM 1560 N ALA A 105 -5.703 0.663 -7.402 1.00 0.00 N ATOM 1561 CA ALA A 105 -5.695 -0.772 -7.147 1.00 0.00 C ATOM 1562 C ALA A 105 -5.528 -1.559 -8.443 1.00 0.00 C ATOM 1563 O ALA A 105 -5.814 -1.055 -9.529 1.00 0.00 O ATOM 1564 CB ALA A 105 -6.973 -1.189 -6.435 1.00 0.00 C ATOM 0 H ALA A 105 -6.391 0.965 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.844 -0.997 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.953 -2.263 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.050 -0.660 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.833 -0.943 -7.058 1.00 0.00 H new ATOM 1570 N THR A 106 -5.061 -2.798 -8.322 1.00 0.00 N ATOM 1571 CA THR A 106 -4.854 -3.654 -9.483 1.00 0.00 C ATOM 1572 C THR A 106 -6.150 -4.340 -9.899 1.00 0.00 C ATOM 1573 O THR A 106 -6.830 -4.954 -9.076 1.00 0.00 O ATOM 1574 CB THR A 106 -3.785 -4.727 -9.206 1.00 0.00 C ATOM 1575 OG1 THR A 106 -4.195 -5.558 -8.114 1.00 0.00 O ATOM 1576 CG2 THR A 106 -2.444 -4.085 -8.885 1.00 0.00 C ATOM 0 H THR A 106 -4.819 -3.231 -7.431 1.00 0.00 H new ATOM 0 HA THR A 106 -4.511 -3.010 -10.293 1.00 0.00 H new ATOM 0 HB THR A 106 -3.673 -5.336 -10.103 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.710 -6.318 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.705 -4.863 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.120 -3.477 -9.730 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.545 -3.454 -8.002 1.00 0.00 H new ATOM 1584 N ASP A 107 -6.487 -4.232 -11.179 1.00 0.00 N ATOM 1585 CA ASP A 107 -7.702 -4.844 -11.704 1.00 0.00 C ATOM 1586 C ASP A 107 -8.004 -6.156 -10.987 1.00 0.00 C ATOM 1587 O ASP A 107 -7.100 -6.944 -10.709 1.00 0.00 O ATOM 1588 CB ASP A 107 -7.566 -5.090 -13.208 1.00 0.00 C ATOM 1589 CG ASP A 107 -6.625 -4.104 -13.873 1.00 0.00 C ATOM 1590 OD1 ASP A 107 -6.883 -2.885 -13.785 1.00 0.00 O ATOM 1591 OD2 ASP A 107 -5.630 -4.552 -14.480 1.00 0.00 O ATOM 0 H ASP A 107 -5.936 -3.726 -11.873 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.530 -4.157 -11.529 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.203 -6.104 -13.376 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.549 -5.022 -13.675 1.00 0.00 H new ATOM 1596 N TRP A 108 -9.278 -6.382 -10.690 1.00 0.00 N ATOM 1597 CA TRP A 108 -9.699 -7.598 -10.004 1.00 0.00 C ATOM 1598 C TRP A 108 -9.106 -8.834 -10.673 1.00 0.00 C ATOM 1599 O TRP A 108 -9.538 -9.233 -11.756 1.00 0.00 O ATOM 1600 CB TRP A 108 -11.225 -7.696 -9.984 1.00 0.00 C ATOM 1601 CG TRP A 108 -11.857 -6.890 -8.890 1.00 0.00 C ATOM 1602 CD1 TRP A 108 -12.734 -5.854 -9.038 1.00 0.00 C ATOM 1603 CD2 TRP A 108 -11.660 -7.054 -7.481 1.00 0.00 C ATOM 1604 NE1 TRP A 108 -13.094 -5.363 -7.806 1.00 0.00 N ATOM 1605 CE2 TRP A 108 -12.450 -6.083 -6.835 1.00 0.00 C ATOM 1606 CE3 TRP A 108 -10.896 -7.928 -6.703 1.00 0.00 C ATOM 1607 CZ2 TRP A 108 -12.494 -5.962 -5.448 1.00 0.00 C ATOM 1608 CZ3 TRP A 108 -10.940 -7.807 -5.328 1.00 0.00 C ATOM 1609 CH2 TRP A 108 -11.735 -6.831 -4.711 1.00 0.00 C ATOM 0 H TRP A 108 -10.038 -5.739 -10.913 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.332 -7.552 -8.979 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -11.616 -7.361 -10.945 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -11.513 -8.741 -9.869 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -13.092 -5.476 -9.984 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -13.737 -4.588 -7.641 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -10.282 -8.685 -7.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -13.105 -5.210 -4.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.352 -8.476 -4.717 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -11.749 -6.763 -3.633 1.00 0.00 H new ATOM 1620 N LEU A 109 -8.116 -9.436 -10.024 1.00 0.00 N ATOM 1621 CA LEU A 109 -7.465 -10.627 -10.557 1.00 0.00 C ATOM 1622 C LEU A 109 -7.966 -11.883 -9.852 1.00 0.00 C ATOM 1623 O LEU A 109 -7.773 -12.050 -8.648 1.00 0.00 O ATOM 1624 CB LEU A 109 -5.947 -10.514 -10.405 1.00 0.00 C ATOM 1625 CG LEU A 109 -5.110 -11.203 -11.484 1.00 0.00 C ATOM 1626 CD1 LEU A 109 -5.364 -10.568 -12.842 1.00 0.00 C ATOM 1627 CD2 LEU A 109 -3.631 -11.141 -11.132 1.00 0.00 C ATOM 0 H LEU A 109 -7.746 -9.119 -9.128 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.713 -10.704 -11.616 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.682 -9.457 -10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.667 -10.929 -9.437 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.407 -12.251 -11.534 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.760 -11.071 -13.597 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.419 -10.665 -13.097 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.095 -9.512 -12.806 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.051 -11.636 -11.911 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.319 -10.100 -11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.462 -11.643 -10.179 1.00 0.00 H new ATOM 1639 N SER A 110 -8.607 -12.766 -10.611 1.00 0.00 N ATOM 1640 CA SER A 110 -9.137 -14.007 -10.059 1.00 0.00 C ATOM 1641 C SER A 110 -8.056 -15.082 -10.001 1.00 0.00 C ATOM 1642 O SER A 110 -7.196 -15.159 -10.878 1.00 0.00 O ATOM 1643 CB SER A 110 -10.318 -14.500 -10.897 1.00 0.00 C ATOM 1644 OG SER A 110 -9.877 -15.047 -12.128 1.00 0.00 O ATOM 0 H SER A 110 -8.772 -12.645 -11.610 1.00 0.00 H new ATOM 0 HA SER A 110 -9.480 -13.806 -9.044 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.874 -15.253 -10.339 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.003 -13.674 -11.087 1.00 0.00 H new ATOM 0 HG SER A 110 -10.650 -15.356 -12.644 1.00 0.00 H new ATOM 1650 N ALA A 111 -8.107 -15.909 -8.963 1.00 0.00 N ATOM 1651 CA ALA A 111 -7.134 -16.981 -8.791 1.00 0.00 C ATOM 1652 C ALA A 111 -7.781 -18.216 -8.173 1.00 0.00 C ATOM 1653 O ALA A 111 -8.455 -18.127 -7.148 1.00 0.00 O ATOM 1654 CB ALA A 111 -5.972 -16.506 -7.931 1.00 0.00 C ATOM 0 H ALA A 111 -8.812 -15.858 -8.228 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.755 -17.255 -9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.253 -17.317 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.485 -15.658 -8.413 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.344 -16.203 -6.952 1.00 0.00 H new ATOM 1660 N GLU A 112 -7.572 -19.366 -8.805 1.00 0.00 N ATOM 1661 CA GLU A 112 -8.137 -20.619 -8.318 1.00 0.00 C ATOM 1662 C GLU A 112 -7.066 -21.473 -7.645 1.00 0.00 C ATOM 1663 O GLU A 112 -6.085 -21.870 -8.275 1.00 0.00 O ATOM 1664 CB GLU A 112 -8.778 -21.397 -9.468 1.00 0.00 C ATOM 1665 CG GLU A 112 -9.902 -22.320 -9.027 1.00 0.00 C ATOM 1666 CD GLU A 112 -10.559 -23.036 -10.191 1.00 0.00 C ATOM 1667 OE1 GLU A 112 -11.216 -22.361 -11.010 1.00 0.00 O ATOM 1668 OE2 GLU A 112 -10.415 -24.274 -10.283 1.00 0.00 O ATOM 0 H GLU A 112 -7.016 -19.456 -9.655 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.903 -20.380 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -9.166 -20.690 -10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.010 -21.987 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.508 -23.057 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.654 -21.741 -8.491 1.00 0.00 H new ATOM 1675 N THR A 113 -7.261 -21.753 -6.360 1.00 0.00 N ATOM 1676 CA THR A 113 -6.313 -22.559 -5.601 1.00 0.00 C ATOM 1677 C THR A 113 -6.312 -24.005 -6.081 1.00 0.00 C ATOM 1678 O THR A 113 -7.144 -24.399 -6.899 1.00 0.00 O ATOM 1679 CB THR A 113 -6.632 -22.530 -4.094 1.00 0.00 C ATOM 1680 OG1 THR A 113 -8.050 -22.532 -3.893 1.00 0.00 O ATOM 1681 CG2 THR A 113 -6.023 -21.301 -3.436 1.00 0.00 C ATOM 0 H THR A 113 -8.067 -21.433 -5.823 1.00 0.00 H new ATOM 0 HA THR A 113 -5.327 -22.125 -5.765 1.00 0.00 H new ATOM 0 HB THR A 113 -6.200 -23.420 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.244 -22.570 -2.933 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.261 -21.302 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.941 -21.318 -3.565 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.430 -20.402 -3.898 1.00 0.00 H new ATOM 1689 N PHE A 114 -5.374 -24.794 -5.567 1.00 0.00 N ATOM 1690 CA PHE A 114 -5.265 -26.198 -5.944 1.00 0.00 C ATOM 1691 C PHE A 114 -6.211 -27.060 -5.112 1.00 0.00 C ATOM 1692 O PHE A 114 -6.058 -27.169 -3.896 1.00 0.00 O ATOM 1693 CB PHE A 114 -3.825 -26.685 -5.768 1.00 0.00 C ATOM 1694 CG PHE A 114 -2.809 -25.806 -6.440 1.00 0.00 C ATOM 1695 CD1 PHE A 114 -2.843 -25.607 -7.810 1.00 0.00 C ATOM 1696 CD2 PHE A 114 -1.819 -25.179 -5.700 1.00 0.00 C ATOM 1697 CE1 PHE A 114 -1.909 -24.799 -8.431 1.00 0.00 C ATOM 1698 CE2 PHE A 114 -0.884 -24.369 -6.315 1.00 0.00 C ATOM 1699 CZ PHE A 114 -0.928 -24.180 -7.682 1.00 0.00 C ATOM 0 H PHE A 114 -4.678 -24.485 -4.888 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.547 -26.290 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -3.597 -26.743 -4.704 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -3.740 -27.696 -6.167 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.608 -26.089 -8.400 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -1.778 -25.325 -4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -1.947 -24.652 -9.500 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -0.119 -23.884 -5.727 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.196 -23.549 -8.165 1.00 0.00 H new ATOM 1709 N GLU A 115 -7.187 -27.669 -5.778 1.00 0.00 N ATOM 1710 CA GLU A 115 -8.158 -28.519 -5.100 1.00 0.00 C ATOM 1711 C GLU A 115 -7.484 -29.361 -4.021 1.00 0.00 C ATOM 1712 O GLU A 115 -8.074 -29.640 -2.977 1.00 0.00 O ATOM 1713 CB GLU A 115 -8.863 -29.430 -6.107 1.00 0.00 C ATOM 1714 CG GLU A 115 -9.631 -28.674 -7.178 1.00 0.00 C ATOM 1715 CD GLU A 115 -8.753 -28.264 -8.345 1.00 0.00 C ATOM 1716 OE1 GLU A 115 -8.511 -29.112 -9.230 1.00 0.00 O ATOM 1717 OE2 GLU A 115 -8.309 -27.098 -8.374 1.00 0.00 O ATOM 0 H GLU A 115 -7.326 -27.590 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.897 -27.874 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.122 -30.070 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.551 -30.085 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -10.447 -29.298 -7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -10.082 -27.785 -6.737 1.00 0.00 H new ATOM 1724 N SER A 116 -6.244 -29.764 -4.281 1.00 0.00 N ATOM 1725 CA SER A 116 -5.490 -30.579 -3.335 1.00 0.00 C ATOM 1726 C SER A 116 -4.053 -30.082 -3.217 1.00 0.00 C ATOM 1727 O SER A 116 -3.570 -29.334 -4.067 1.00 0.00 O ATOM 1728 CB SER A 116 -5.501 -32.045 -3.770 1.00 0.00 C ATOM 1729 OG SER A 116 -6.799 -32.602 -3.655 1.00 0.00 O ATOM 0 H SER A 116 -5.740 -29.539 -5.139 1.00 0.00 H new ATOM 0 HA SER A 116 -5.967 -30.495 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.158 -32.124 -4.802 1.00 0.00 H new ATOM 0 HB3 SER A 116 -4.802 -32.614 -3.157 1.00 0.00 H new ATOM 0 HG SER A 116 -6.779 -33.539 -3.941 1.00 0.00 H new