USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 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 22 TYR OH : rot 19:sc= 0.563 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.0503 K(o=0.51,f=-0.4) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00343) USER MOD Single : A 23 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.66) USER MOD Single : A 29 TYR OH : rot 121:sc= -0.159 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -2.15! C(o=-2.1!,f=-8!) USER MOD Single : A 47 CYS SG : rot 75:sc= -0.74 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.025) USER MOD Single : A 58 MET CE :methyl -147:sc= -0.0454 (180deg=-0.309) USER MOD Single : A 59 THR OG1 : rot 160:sc= -0.646 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 71 ASN : amide:sc= -5.69! C(o=-5.7!,f=-11!) USER MOD Single : A 72 LYS NZ :NH3+ -112:sc= -0.03 (180deg=-0.114) USER MOD Single : A 76 ASN : amide:sc= -2.65! C(o=-2.6!,f=-4.8!) USER MOD Single : A 77 LYS NZ :NH3+ 175:sc= -0.0863 (180deg=-0.134) USER MOD Single : A 78 GLN : amide:sc= -0.839 X(o=-0.84,f=-0.98) USER MOD Single : A 83 SER OG : rot 180:sc= -0.204 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.7!) USER MOD Single : A 95 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.61) USER MOD Single : A 100 SER OG : rot 44:sc= 0.522 USER MOD Single : A 103 ASN : amide:sc=-0.00196 X(o=-0.002,f=-0.095) USER MOD Single : A 105 THR OG1 : rot 160:sc= -0.573 USER MOD Single : A 106 LYS NZ :NH3+ 159:sc= 0.285 (180deg=0.138) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 92:sc= 0.193 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 97:sc= 1.23 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= -0.623 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 251 N PRO A 18 9.718 -25.438 -10.769 1.00 0.00 N ATOM 252 CA PRO A 18 10.314 -24.103 -10.668 1.00 0.00 C ATOM 253 C PRO A 18 9.505 -23.174 -9.769 1.00 0.00 C ATOM 254 O PRO A 18 8.840 -22.254 -10.248 1.00 0.00 O ATOM 255 CB PRO A 18 10.299 -23.597 -12.113 1.00 0.00 C ATOM 256 CG PRO A 18 9.188 -24.345 -12.764 1.00 0.00 C ATOM 257 CD PRO A 18 9.157 -25.697 -12.106 1.00 0.00 C ATOM 0 HA PRO A 18 11.309 -24.133 -10.223 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.129 -22.521 -12.154 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.250 -23.789 -12.610 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.239 -23.826 -12.633 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.356 -24.437 -13.837 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.143 -26.092 -12.047 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.751 -26.426 -12.657 1.00 0.00 H new ATOM 265 N LEU A 19 9.566 -23.418 -8.465 1.00 0.00 N ATOM 266 CA LEU A 19 8.839 -22.603 -7.499 1.00 0.00 C ATOM 267 C LEU A 19 9.130 -21.120 -7.709 1.00 0.00 C ATOM 268 O LEU A 19 8.218 -20.295 -7.721 1.00 0.00 O ATOM 269 CB LEU A 19 9.214 -23.010 -6.073 1.00 0.00 C ATOM 270 CG LEU A 19 8.240 -23.953 -5.366 1.00 0.00 C ATOM 271 CD1 LEU A 19 8.953 -24.740 -4.278 1.00 0.00 C ATOM 272 CD2 LEU A 19 7.071 -23.172 -4.783 1.00 0.00 C ATOM 0 H LEU A 19 10.112 -24.174 -8.052 1.00 0.00 H new ATOM 0 HA LEU A 19 7.773 -22.771 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.195 -23.485 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.313 -22.106 -5.473 1.00 0.00 H new ATOM 0 HG LEU A 19 7.850 -24.659 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.244 -25.406 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.756 -25.329 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.372 -24.050 -3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.388 -23.859 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.443 -22.443 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.544 -22.654 -5.584 1.00 0.00 H new ATOM 284 N GLU A 20 10.407 -20.791 -7.877 1.00 0.00 N ATOM 285 CA GLU A 20 10.818 -19.408 -8.088 1.00 0.00 C ATOM 286 C GLU A 20 10.058 -18.788 -9.258 1.00 0.00 C ATOM 287 O GLU A 20 9.548 -17.672 -9.161 1.00 0.00 O ATOM 288 CB GLU A 20 12.324 -19.333 -8.347 1.00 0.00 C ATOM 289 CG GLU A 20 13.098 -18.644 -7.236 1.00 0.00 C ATOM 290 CD GLU A 20 13.706 -17.327 -7.678 1.00 0.00 C ATOM 291 OE1 GLU A 20 13.114 -16.666 -8.556 1.00 0.00 O ATOM 292 OE2 GLU A 20 14.774 -16.958 -7.146 1.00 0.00 O ATOM 0 H GLU A 20 11.174 -21.463 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 20 10.584 -18.845 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.713 -20.343 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.497 -18.802 -9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.433 -18.467 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.890 -19.306 -6.886 1.00 0.00 H new ATOM 299 N LYS A 21 9.988 -19.520 -10.364 1.00 0.00 N ATOM 300 CA LYS A 21 9.292 -19.045 -11.554 1.00 0.00 C ATOM 301 C LYS A 21 7.800 -18.883 -11.282 1.00 0.00 C ATOM 302 O LYS A 21 7.153 -17.990 -11.831 1.00 0.00 O ATOM 303 CB LYS A 21 9.506 -20.016 -12.717 1.00 0.00 C ATOM 304 CG LYS A 21 9.657 -19.329 -14.063 1.00 0.00 C ATOM 305 CD LYS A 21 8.929 -20.086 -15.161 1.00 0.00 C ATOM 306 CE LYS A 21 9.096 -19.407 -16.512 1.00 0.00 C ATOM 307 NZ LYS A 21 9.056 -20.386 -17.634 1.00 0.00 N ATOM 0 H LYS A 21 10.405 -20.446 -10.461 1.00 0.00 H new ATOM 0 HA LYS A 21 9.703 -18.072 -11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.397 -20.613 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.663 -20.706 -12.763 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.266 -18.313 -14.000 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.714 -19.249 -14.315 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.310 -21.106 -15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.869 -20.155 -14.916 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.306 -18.668 -16.647 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.044 -18.869 -16.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.156 -19.882 -18.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.835 -21.067 -17.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.149 -20.894 -17.619 1.00 0.00 H new ATOM 321 N TYR A 22 7.260 -19.749 -10.432 1.00 0.00 N ATOM 322 CA TYR A 22 5.844 -19.701 -10.088 1.00 0.00 C ATOM 323 C TYR A 22 5.507 -18.412 -9.344 1.00 0.00 C ATOM 324 O TYR A 22 4.518 -17.745 -9.651 1.00 0.00 O ATOM 325 CB TYR A 22 5.464 -20.911 -9.233 1.00 0.00 C ATOM 326 CG TYR A 22 4.401 -20.613 -8.200 1.00 0.00 C ATOM 327 CD1 TYR A 22 4.720 -19.965 -7.013 1.00 0.00 C ATOM 328 CD2 TYR A 22 3.077 -20.979 -8.411 1.00 0.00 C ATOM 329 CE1 TYR A 22 3.752 -19.692 -6.066 1.00 0.00 C ATOM 330 CE2 TYR A 22 2.103 -20.708 -7.470 1.00 0.00 C ATOM 331 CZ TYR A 22 2.445 -20.064 -6.300 1.00 0.00 C ATOM 332 OH TYR A 22 1.477 -19.794 -5.360 1.00 0.00 O ATOM 0 H TYR A 22 7.782 -20.493 -9.968 1.00 0.00 H new ATOM 0 HA TYR A 22 5.270 -19.725 -11.015 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.111 -21.710 -9.885 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.356 -21.283 -8.728 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.742 -19.670 -6.828 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.805 -21.484 -9.326 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.017 -19.190 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.079 -20.999 -7.650 1.00 0.00 H new ATOM 0 HH TYR A 22 1.794 -19.090 -4.757 1.00 0.00 H new ATOM 342 N HIS A 23 6.336 -18.068 -8.364 1.00 0.00 N ATOM 343 CA HIS A 23 6.128 -16.859 -7.576 1.00 0.00 C ATOM 344 C HIS A 23 6.383 -15.612 -8.417 1.00 0.00 C ATOM 345 O HIS A 23 5.794 -14.558 -8.176 1.00 0.00 O ATOM 346 CB HIS A 23 7.044 -16.858 -6.352 1.00 0.00 C ATOM 347 CG HIS A 23 6.305 -16.932 -5.051 1.00 0.00 C ATOM 348 ND1 HIS A 23 5.016 -16.470 -4.891 1.00 0.00 N ATOM 349 CD2 HIS A 23 6.682 -17.419 -3.845 1.00 0.00 C ATOM 350 CE1 HIS A 23 4.631 -16.669 -3.642 1.00 0.00 C ATOM 351 NE2 HIS A 23 5.624 -17.243 -2.987 1.00 0.00 N ATOM 0 H HIS A 23 7.158 -18.609 -8.097 1.00 0.00 H new ATOM 0 HA HIS A 23 5.090 -16.846 -7.244 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.729 -17.703 -6.420 1.00 0.00 H new ATOM 0 HB3 HIS A 23 7.652 -15.953 -6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.636 -17.863 -3.603 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.669 -16.407 -3.228 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.608 -17.512 -2.003 1.00 0.00 H new ATOM 359 N GLU A 24 7.264 -15.739 -9.404 1.00 0.00 N ATOM 360 CA GLU A 24 7.597 -14.621 -10.279 1.00 0.00 C ATOM 361 C GLU A 24 6.424 -14.277 -11.192 1.00 0.00 C ATOM 362 O GLU A 24 6.084 -13.107 -11.368 1.00 0.00 O ATOM 363 CB GLU A 24 8.831 -14.953 -11.120 1.00 0.00 C ATOM 364 CG GLU A 24 10.088 -14.227 -10.670 1.00 0.00 C ATOM 365 CD GLU A 24 10.370 -14.411 -9.192 1.00 0.00 C ATOM 366 OE1 GLU A 24 10.985 -15.435 -8.828 1.00 0.00 O ATOM 367 OE2 GLU A 24 9.975 -13.531 -8.398 1.00 0.00 O ATOM 0 H GLU A 24 7.760 -16.604 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 24 7.815 -13.755 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.009 -16.028 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.629 -14.701 -12.161 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.939 -14.590 -11.246 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.986 -13.164 -10.887 1.00 0.00 H new ATOM 374 N GLU A 25 5.810 -15.304 -11.771 1.00 0.00 N ATOM 375 CA GLU A 25 4.676 -15.110 -12.666 1.00 0.00 C ATOM 376 C GLU A 25 3.436 -14.678 -11.888 1.00 0.00 C ATOM 377 O GLU A 25 2.808 -13.670 -12.211 1.00 0.00 O ATOM 378 CB GLU A 25 4.383 -16.396 -13.441 1.00 0.00 C ATOM 379 CG GLU A 25 5.535 -16.852 -14.321 1.00 0.00 C ATOM 380 CD GLU A 25 5.952 -15.799 -15.328 1.00 0.00 C ATOM 381 OE1 GLU A 25 5.087 -15.001 -15.746 1.00 0.00 O ATOM 382 OE2 GLU A 25 7.144 -15.772 -15.699 1.00 0.00 O ATOM 0 H GLU A 25 6.079 -16.279 -11.636 1.00 0.00 H new ATOM 0 HA GLU A 25 4.934 -14.320 -13.372 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.141 -17.189 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.501 -16.243 -14.062 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.389 -17.107 -13.693 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.246 -17.760 -14.849 1.00 0.00 H new ATOM 389 N ALA A 26 3.090 -15.449 -10.863 1.00 0.00 N ATOM 390 CA ALA A 26 1.927 -15.146 -10.038 1.00 0.00 C ATOM 391 C ALA A 26 2.058 -13.775 -9.386 1.00 0.00 C ATOM 392 O ALA A 26 1.089 -13.020 -9.304 1.00 0.00 O ATOM 393 CB ALA A 26 1.737 -16.221 -8.978 1.00 0.00 C ATOM 0 H ALA A 26 3.598 -16.288 -10.584 1.00 0.00 H new ATOM 0 HA ALA A 26 1.049 -15.129 -10.684 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.865 -15.982 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.588 -17.186 -9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.622 -16.266 -8.343 1.00 0.00 H new ATOM 399 N ASP A 27 3.262 -13.459 -8.922 1.00 0.00 N ATOM 400 CA ASP A 27 3.521 -12.177 -8.276 1.00 0.00 C ATOM 401 C ASP A 27 3.382 -11.029 -9.272 1.00 0.00 C ATOM 402 O ASP A 27 2.788 -9.996 -8.964 1.00 0.00 O ATOM 403 CB ASP A 27 4.920 -12.166 -7.658 1.00 0.00 C ATOM 404 CG ASP A 27 5.251 -10.841 -6.999 1.00 0.00 C ATOM 405 OD1 ASP A 27 4.510 -10.433 -6.082 1.00 0.00 O ATOM 406 OD2 ASP A 27 6.252 -10.212 -7.403 1.00 0.00 O ATOM 0 H ASP A 27 4.074 -14.073 -8.981 1.00 0.00 H new ATOM 0 HA ASP A 27 2.783 -12.040 -7.486 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.994 -12.964 -6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.658 -12.378 -8.432 1.00 0.00 H new ATOM 411 N ASP A 28 3.935 -11.218 -10.465 1.00 0.00 N ATOM 412 CA ASP A 28 3.874 -10.199 -11.506 1.00 0.00 C ATOM 413 C ASP A 28 2.474 -10.119 -12.107 1.00 0.00 C ATOM 414 O ASP A 28 2.041 -9.060 -12.560 1.00 0.00 O ATOM 415 CB ASP A 28 4.897 -10.498 -12.603 1.00 0.00 C ATOM 416 CG ASP A 28 5.054 -9.347 -13.577 1.00 0.00 C ATOM 417 OD1 ASP A 28 4.154 -8.482 -13.625 1.00 0.00 O ATOM 418 OD2 ASP A 28 6.078 -9.310 -14.291 1.00 0.00 O ATOM 0 H ASP A 28 4.431 -12.068 -10.735 1.00 0.00 H new ATOM 0 HA ASP A 28 4.111 -9.237 -11.052 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.862 -10.718 -12.146 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.591 -11.392 -13.147 1.00 0.00 H new ATOM 423 N TYR A 29 1.772 -11.247 -12.108 1.00 0.00 N ATOM 424 CA TYR A 29 0.422 -11.306 -12.656 1.00 0.00 C ATOM 425 C TYR A 29 -0.551 -10.506 -11.795 1.00 0.00 C ATOM 426 O TYR A 29 -1.276 -9.644 -12.294 1.00 0.00 O ATOM 427 CB TYR A 29 -0.046 -12.758 -12.759 1.00 0.00 C ATOM 428 CG TYR A 29 -0.093 -13.280 -14.177 1.00 0.00 C ATOM 429 CD1 TYR A 29 -1.166 -12.989 -15.011 1.00 0.00 C ATOM 430 CD2 TYR A 29 0.935 -14.066 -14.684 1.00 0.00 C ATOM 431 CE1 TYR A 29 -1.213 -13.464 -16.307 1.00 0.00 C ATOM 432 CE2 TYR A 29 0.897 -14.544 -15.979 1.00 0.00 C ATOM 433 CZ TYR A 29 -0.179 -14.241 -16.787 1.00 0.00 C ATOM 434 OH TYR A 29 -0.221 -14.717 -18.077 1.00 0.00 O ATOM 0 H TYR A 29 2.115 -12.132 -11.736 1.00 0.00 H new ATOM 0 HA TYR A 29 0.443 -10.866 -13.653 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.621 -13.388 -12.171 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.038 -12.843 -12.316 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.977 -12.381 -14.639 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.778 -14.307 -14.054 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.055 -13.228 -16.941 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.706 -15.152 -16.357 1.00 0.00 H new ATOM 0 HH TYR A 29 0.558 -14.388 -18.573 1.00 0.00 H new ATOM 444 N LEU A 30 -0.562 -10.797 -10.499 1.00 0.00 N ATOM 445 CA LEU A 30 -1.444 -10.106 -9.567 1.00 0.00 C ATOM 446 C LEU A 30 -1.024 -8.649 -9.397 1.00 0.00 C ATOM 447 O LEU A 30 -1.865 -7.765 -9.233 1.00 0.00 O ATOM 448 CB LEU A 30 -1.439 -10.811 -8.209 1.00 0.00 C ATOM 449 CG LEU A 30 -2.111 -12.184 -8.164 1.00 0.00 C ATOM 450 CD1 LEU A 30 -3.103 -12.254 -7.013 1.00 0.00 C ATOM 451 CD2 LEU A 30 -2.802 -12.484 -9.486 1.00 0.00 C ATOM 0 H LEU A 30 0.031 -11.508 -10.070 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.453 -10.129 -9.978 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.405 -10.924 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.932 -10.163 -7.484 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.342 -12.939 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.572 -13.238 -6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.580 -12.085 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.869 -11.490 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.274 -13.465 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.560 -11.726 -9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.067 -12.477 -10.291 1.00 0.00 H new ATOM 463 N ASP A 31 0.281 -8.407 -9.439 1.00 0.00 N ATOM 464 CA ASP A 31 0.814 -7.057 -9.294 1.00 0.00 C ATOM 465 C ASP A 31 0.339 -6.160 -10.433 1.00 0.00 C ATOM 466 O ASP A 31 -0.150 -5.053 -10.203 1.00 0.00 O ATOM 467 CB ASP A 31 2.342 -7.090 -9.257 1.00 0.00 C ATOM 468 CG ASP A 31 2.887 -7.141 -7.843 1.00 0.00 C ATOM 469 OD1 ASP A 31 2.098 -6.938 -6.896 1.00 0.00 O ATOM 470 OD2 ASP A 31 4.101 -7.384 -7.684 1.00 0.00 O ATOM 0 H ASP A 31 0.990 -9.128 -9.572 1.00 0.00 H new ATOM 0 HA ASP A 31 0.445 -6.646 -8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.697 -7.959 -9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.734 -6.207 -9.762 1.00 0.00 H new ATOM 475 N HIS A 32 0.487 -6.644 -11.662 1.00 0.00 N ATOM 476 CA HIS A 32 0.074 -5.886 -12.837 1.00 0.00 C ATOM 477 C HIS A 32 -1.447 -5.788 -12.914 1.00 0.00 C ATOM 478 O HIS A 32 -1.991 -4.845 -13.490 1.00 0.00 O ATOM 479 CB HIS A 32 0.619 -6.537 -14.108 1.00 0.00 C ATOM 480 CG HIS A 32 1.694 -5.737 -14.778 1.00 0.00 C ATOM 481 ND1 HIS A 32 1.635 -5.358 -16.102 1.00 0.00 N ATOM 482 CD2 HIS A 32 2.858 -5.242 -14.298 1.00 0.00 C ATOM 483 CE1 HIS A 32 2.718 -4.665 -16.409 1.00 0.00 C ATOM 484 NE2 HIS A 32 3.476 -4.580 -15.331 1.00 0.00 N ATOM 0 H HIS A 32 0.890 -7.558 -11.870 1.00 0.00 H new ATOM 0 HA HIS A 32 0.482 -4.879 -12.750 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.012 -7.523 -13.861 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.201 -6.687 -14.810 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.232 -5.348 -13.290 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.944 -4.241 -17.376 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.375 -4.101 -15.275 1.00 0.00 H new ATOM 492 N LEU A 33 -2.128 -6.768 -12.330 1.00 0.00 N ATOM 493 CA LEU A 33 -3.586 -6.793 -12.332 1.00 0.00 C ATOM 494 C LEU A 33 -4.152 -5.661 -11.481 1.00 0.00 C ATOM 495 O LEU A 33 -4.967 -4.865 -11.949 1.00 0.00 O ATOM 496 CB LEU A 33 -4.094 -8.140 -11.813 1.00 0.00 C ATOM 497 CG LEU A 33 -4.799 -9.031 -12.836 1.00 0.00 C ATOM 498 CD1 LEU A 33 -6.279 -8.688 -12.913 1.00 0.00 C ATOM 499 CD2 LEU A 33 -4.146 -8.893 -14.204 1.00 0.00 C ATOM 0 H LEU A 33 -1.694 -7.556 -11.849 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.925 -6.655 -13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.248 -8.691 -11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.782 -7.953 -10.989 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.704 -10.068 -12.513 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.764 -9.332 -13.646 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.739 -8.839 -11.936 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.396 -7.646 -13.212 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.661 -9.534 -14.919 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.210 -7.856 -14.535 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.099 -9.189 -14.139 1.00 0.00 H new ATOM 511 N LEU A 34 -3.713 -5.594 -10.229 1.00 0.00 N ATOM 512 CA LEU A 34 -4.174 -4.557 -9.312 1.00 0.00 C ATOM 513 C LEU A 34 -3.634 -3.190 -9.720 1.00 0.00 C ATOM 514 O LEU A 34 -4.240 -2.159 -9.424 1.00 0.00 O ATOM 515 CB LEU A 34 -3.738 -4.883 -7.882 1.00 0.00 C ATOM 516 CG LEU A 34 -2.260 -5.223 -7.692 1.00 0.00 C ATOM 517 CD1 LEU A 34 -1.469 -3.979 -7.318 1.00 0.00 C ATOM 518 CD2 LEU A 34 -2.093 -6.302 -6.631 1.00 0.00 C ATOM 0 H LEU A 34 -3.039 -6.245 -9.826 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.263 -4.526 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.979 -4.030 -7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.332 -5.724 -7.525 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.871 -5.605 -8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.419 -4.241 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.561 -3.237 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.859 -3.566 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.034 -6.532 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.499 -5.947 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.626 -7.201 -6.940 1.00 0.00 H new ATOM 530 N ASP A 35 -2.495 -3.189 -10.402 1.00 0.00 N ATOM 531 CA ASP A 35 -1.875 -1.949 -10.855 1.00 0.00 C ATOM 532 C ASP A 35 -2.698 -1.304 -11.966 1.00 0.00 C ATOM 533 O ASP A 35 -2.916 -0.093 -11.968 1.00 0.00 O ATOM 534 CB ASP A 35 -0.451 -2.214 -11.345 1.00 0.00 C ATOM 535 CG ASP A 35 0.366 -0.943 -11.464 1.00 0.00 C ATOM 536 OD1 ASP A 35 0.535 -0.247 -10.440 1.00 0.00 O ATOM 537 OD2 ASP A 35 0.838 -0.644 -12.581 1.00 0.00 O ATOM 0 H ASP A 35 -1.981 -4.033 -10.654 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.837 -1.261 -10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.045 -2.898 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.490 -2.710 -12.315 1.00 0.00 H new ATOM 542 N SER A 36 -3.150 -2.122 -12.911 1.00 0.00 N ATOM 543 CA SER A 36 -3.944 -1.632 -14.031 1.00 0.00 C ATOM 544 C SER A 36 -5.349 -1.250 -13.575 1.00 0.00 C ATOM 545 O SER A 36 -5.878 -0.207 -13.963 1.00 0.00 O ATOM 546 CB SER A 36 -4.023 -2.692 -15.131 1.00 0.00 C ATOM 547 OG SER A 36 -4.084 -2.093 -16.414 1.00 0.00 O ATOM 0 H SER A 36 -2.980 -3.128 -12.923 1.00 0.00 H new ATOM 0 HA SER A 36 -3.455 -0.742 -14.429 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.153 -3.346 -15.073 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.903 -3.317 -14.976 1.00 0.00 H new ATOM 0 HG SER A 36 -4.132 -2.792 -17.099 1.00 0.00 H new ATOM 553 N LEU A 37 -5.948 -2.101 -12.750 1.00 0.00 N ATOM 554 CA LEU A 37 -7.292 -1.854 -12.240 1.00 0.00 C ATOM 555 C LEU A 37 -7.310 -0.638 -11.319 1.00 0.00 C ATOM 556 O LEU A 37 -8.184 0.221 -11.427 1.00 0.00 O ATOM 557 CB LEU A 37 -7.808 -3.083 -11.490 1.00 0.00 C ATOM 558 CG LEU A 37 -8.524 -4.135 -12.338 1.00 0.00 C ATOM 559 CD1 LEU A 37 -9.494 -3.472 -13.304 1.00 0.00 C ATOM 560 CD2 LEU A 37 -7.516 -4.988 -13.094 1.00 0.00 C ATOM 0 H LEU A 37 -5.524 -2.968 -12.420 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.945 -1.653 -13.089 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.964 -3.560 -10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.491 -2.747 -10.710 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.092 -4.784 -11.672 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.994 -4.236 -13.899 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.237 -2.906 -12.742 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.947 -2.799 -13.964 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.044 -5.731 -13.692 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.920 -4.352 -13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.861 -5.493 -12.384 1.00 0.00 H new ATOM 572 N GLU A 38 -6.338 -0.573 -10.414 1.00 0.00 N ATOM 573 CA GLU A 38 -6.242 0.539 -9.475 1.00 0.00 C ATOM 574 C GLU A 38 -6.049 1.860 -10.214 1.00 0.00 C ATOM 575 O GLU A 38 -6.632 2.879 -9.847 1.00 0.00 O ATOM 576 CB GLU A 38 -5.085 0.314 -8.500 1.00 0.00 C ATOM 577 CG GLU A 38 -5.359 -0.770 -7.471 1.00 0.00 C ATOM 578 CD GLU A 38 -4.090 -1.302 -6.833 1.00 0.00 C ATOM 579 OE1 GLU A 38 -2.992 -0.913 -7.283 1.00 0.00 O ATOM 580 OE2 GLU A 38 -4.195 -2.107 -5.884 1.00 0.00 O ATOM 0 H GLU A 38 -5.607 -1.277 -10.311 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.175 0.589 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.191 0.050 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.870 1.249 -7.982 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.012 -0.372 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.894 -1.592 -7.948 1.00 0.00 H new ATOM 587 N GLU A 39 -5.226 1.833 -11.258 1.00 0.00 N ATOM 588 CA GLU A 39 -4.955 3.028 -12.048 1.00 0.00 C ATOM 589 C GLU A 39 -6.190 3.448 -12.840 1.00 0.00 C ATOM 590 O GLU A 39 -6.400 4.633 -13.103 1.00 0.00 O ATOM 591 CB GLU A 39 -3.784 2.782 -13.001 1.00 0.00 C ATOM 592 CG GLU A 39 -3.293 4.039 -13.699 1.00 0.00 C ATOM 593 CD GLU A 39 -2.963 3.804 -15.161 1.00 0.00 C ATOM 594 OE1 GLU A 39 -2.892 2.627 -15.572 1.00 0.00 O ATOM 595 OE2 GLU A 39 -2.778 4.798 -15.894 1.00 0.00 O ATOM 0 H GLU A 39 -4.736 0.997 -11.576 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.693 3.834 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.959 2.341 -12.442 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.086 2.053 -13.753 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.056 4.814 -13.623 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.407 4.412 -13.186 1.00 0.00 H new ATOM 602 N LEU A 40 -7.005 2.469 -13.218 1.00 0.00 N ATOM 603 CA LEU A 40 -8.219 2.736 -13.981 1.00 0.00 C ATOM 604 C LEU A 40 -9.285 3.379 -13.100 1.00 0.00 C ATOM 605 O LEU A 40 -10.061 4.218 -13.558 1.00 0.00 O ATOM 606 CB LEU A 40 -8.758 1.440 -14.589 1.00 0.00 C ATOM 607 CG LEU A 40 -8.028 0.927 -15.831 1.00 0.00 C ATOM 608 CD1 LEU A 40 -8.573 -0.430 -16.248 1.00 0.00 C ATOM 609 CD2 LEU A 40 -8.151 1.927 -16.972 1.00 0.00 C ATOM 0 H LEU A 40 -6.847 1.483 -13.008 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.969 3.430 -14.783 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.725 0.663 -13.826 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.807 1.591 -14.845 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.972 0.812 -15.587 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.042 -0.779 -17.133 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.433 -1.143 -15.436 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.636 -0.341 -16.474 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.626 1.546 -17.848 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.203 2.074 -17.215 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.712 2.878 -16.671 1.00 0.00 H new ATOM 621 N SER A 41 -9.316 2.983 -11.831 1.00 0.00 N ATOM 622 CA SER A 41 -10.288 3.519 -10.886 1.00 0.00 C ATOM 623 C SER A 41 -9.804 4.843 -10.302 1.00 0.00 C ATOM 624 O SER A 41 -10.602 5.660 -9.844 1.00 0.00 O ATOM 625 CB SER A 41 -10.543 2.515 -9.760 1.00 0.00 C ATOM 626 OG SER A 41 -11.214 3.129 -8.672 1.00 0.00 O ATOM 0 H SER A 41 -8.679 2.293 -11.434 1.00 0.00 H new ATOM 0 HA SER A 41 -11.220 3.697 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.139 1.684 -10.137 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.596 2.098 -9.419 1.00 0.00 H new ATOM 0 HG SER A 41 -11.367 2.467 -7.966 1.00 0.00 H new ATOM 632 N GLU A 42 -8.490 5.047 -10.323 1.00 0.00 N ATOM 633 CA GLU A 42 -7.900 6.271 -9.795 1.00 0.00 C ATOM 634 C GLU A 42 -7.816 7.345 -10.876 1.00 0.00 C ATOM 635 O GLU A 42 -8.174 8.500 -10.647 1.00 0.00 O ATOM 636 CB GLU A 42 -6.505 5.989 -9.232 1.00 0.00 C ATOM 637 CG GLU A 42 -6.488 5.780 -7.727 1.00 0.00 C ATOM 638 CD GLU A 42 -6.662 7.073 -6.955 1.00 0.00 C ATOM 639 OE1 GLU A 42 -5.735 7.910 -6.983 1.00 0.00 O ATOM 640 OE2 GLU A 42 -7.725 7.250 -6.324 1.00 0.00 O ATOM 0 H GLU A 42 -7.815 4.381 -10.700 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.541 6.636 -8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.098 5.102 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.846 6.820 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.283 5.087 -7.451 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.545 5.314 -7.440 1.00 0.00 H new ATOM 647 N ALA A 43 -7.340 6.955 -12.054 1.00 0.00 N ATOM 648 CA ALA A 43 -7.210 7.882 -13.171 1.00 0.00 C ATOM 649 C ALA A 43 -8.576 8.252 -13.739 1.00 0.00 C ATOM 650 O ALA A 43 -8.798 9.388 -14.160 1.00 0.00 O ATOM 651 CB ALA A 43 -6.330 7.281 -14.257 1.00 0.00 C ATOM 0 H ALA A 43 -7.038 6.003 -12.259 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.740 8.793 -12.801 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.242 7.985 -15.085 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.340 7.074 -13.850 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.776 6.353 -14.615 1.00 0.00 H new ATOM 657 N HIS A 44 -9.490 7.286 -13.748 1.00 0.00 N ATOM 658 CA HIS A 44 -10.835 7.511 -14.265 1.00 0.00 C ATOM 659 C HIS A 44 -11.598 6.195 -14.384 1.00 0.00 C ATOM 660 O HIS A 44 -11.420 5.430 -15.332 1.00 0.00 O ATOM 661 CB HIS A 44 -10.772 8.203 -15.627 1.00 0.00 C ATOM 662 CG HIS A 44 -12.057 8.135 -16.393 1.00 0.00 C ATOM 663 ND1 HIS A 44 -12.570 6.959 -16.898 1.00 0.00 N ATOM 664 CD2 HIS A 44 -12.934 9.106 -16.738 1.00 0.00 C ATOM 665 CE1 HIS A 44 -13.707 7.210 -17.523 1.00 0.00 C ATOM 666 NE2 HIS A 44 -13.951 8.505 -17.440 1.00 0.00 N ATOM 0 H HIS A 44 -9.323 6.341 -13.403 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.364 8.156 -13.563 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.500 9.248 -15.482 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.980 7.747 -16.221 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -12.139 6.039 -16.804 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.850 10.157 -16.505 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -14.331 6.480 -18.018 1.00 0.00 H new ATOM 674 N PRO A 45 -12.468 5.924 -13.400 1.00 0.00 N ATOM 675 CA PRO A 45 -13.275 4.700 -13.372 1.00 0.00 C ATOM 676 C PRO A 45 -14.347 4.688 -14.456 1.00 0.00 C ATOM 677 O PRO A 45 -14.290 5.466 -15.408 1.00 0.00 O ATOM 678 CB PRO A 45 -13.919 4.731 -11.984 1.00 0.00 C ATOM 679 CG PRO A 45 -13.953 6.174 -11.615 1.00 0.00 C ATOM 680 CD PRO A 45 -12.732 6.790 -12.239 1.00 0.00 C ATOM 0 HA PRO A 45 -12.673 3.811 -13.558 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.921 4.303 -12.003 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.339 4.152 -11.265 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.862 6.650 -11.984 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.944 6.300 -10.532 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.912 7.822 -12.540 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.890 6.802 -11.547 1.00 0.00 H new ATOM 688 N ASP A 46 -15.323 3.800 -14.306 1.00 0.00 N ATOM 689 CA ASP A 46 -16.410 3.687 -15.272 1.00 0.00 C ATOM 690 C ASP A 46 -17.765 3.827 -14.586 1.00 0.00 C ATOM 691 O ASP A 46 -18.805 3.537 -15.178 1.00 0.00 O ATOM 692 CB ASP A 46 -16.332 2.347 -16.006 1.00 0.00 C ATOM 693 CG ASP A 46 -16.882 2.426 -17.416 1.00 0.00 C ATOM 694 OD1 ASP A 46 -18.098 2.670 -17.567 1.00 0.00 O ATOM 695 OD2 ASP A 46 -16.096 2.246 -18.370 1.00 0.00 O ATOM 0 H ASP A 46 -15.384 3.147 -13.524 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.305 4.495 -15.995 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.294 2.016 -16.042 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.887 1.596 -15.444 1.00 0.00 H new ATOM 700 N CYS A 47 -17.744 4.272 -13.334 1.00 0.00 N ATOM 701 CA CYS A 47 -18.971 4.449 -12.565 1.00 0.00 C ATOM 702 C CYS A 47 -18.672 4.513 -11.071 1.00 0.00 C ATOM 703 O CYS A 47 -18.617 5.594 -10.485 1.00 0.00 O ATOM 704 CB CYS A 47 -19.948 3.308 -12.854 1.00 0.00 C ATOM 705 SG CYS A 47 -21.322 3.769 -13.935 1.00 0.00 S ATOM 0 H CYS A 47 -16.891 4.517 -12.830 1.00 0.00 H new ATOM 0 HA CYS A 47 -19.426 5.392 -12.866 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.401 2.483 -13.311 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -20.350 2.940 -11.910 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.898 3.859 -15.161 1.00 0.00 H new ATOM 711 N ILE A 48 -18.483 3.348 -10.461 1.00 0.00 N ATOM 712 CA ILE A 48 -18.190 3.271 -9.035 1.00 0.00 C ATOM 713 C ILE A 48 -17.669 1.890 -8.654 1.00 0.00 C ATOM 714 O ILE A 48 -18.137 1.263 -7.703 1.00 0.00 O ATOM 715 CB ILE A 48 -19.436 3.590 -8.187 1.00 0.00 C ATOM 716 CG1 ILE A 48 -20.703 3.129 -8.910 1.00 0.00 C ATOM 717 CG2 ILE A 48 -19.504 5.080 -7.885 1.00 0.00 C ATOM 718 CD1 ILE A 48 -21.872 2.882 -7.982 1.00 0.00 C ATOM 0 H ILE A 48 -18.528 2.444 -10.932 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.420 4.015 -8.830 1.00 0.00 H new ATOM 0 HB ILE A 48 -19.363 3.051 -7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.986 3.882 -9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.485 2.213 -9.459 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -20.390 5.290 -7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -18.613 5.381 -7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.558 5.639 -8.819 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.736 2.558 -8.563 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.608 2.108 -7.262 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -22.116 3.802 -7.452 1.00 0.00 H new ATOM 730 N PRO A 49 -16.676 1.402 -9.412 1.00 0.00 N ATOM 731 CA PRO A 49 -16.067 0.090 -9.171 1.00 0.00 C ATOM 732 C PRO A 49 -15.238 0.062 -7.892 1.00 0.00 C ATOM 733 O PRO A 49 -14.892 1.107 -7.341 1.00 0.00 O ATOM 734 CB PRO A 49 -15.171 -0.114 -10.395 1.00 0.00 C ATOM 735 CG PRO A 49 -14.854 1.263 -10.867 1.00 0.00 C ATOM 736 CD PRO A 49 -16.069 2.095 -10.561 1.00 0.00 C ATOM 0 HA PRO A 49 -16.817 -0.690 -9.040 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.265 -0.662 -10.135 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.681 -0.690 -11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.973 1.657 -10.359 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.636 1.269 -11.935 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -15.801 3.122 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.751 2.138 -11.410 1.00 0.00 H new ATOM 744 N ASP A 50 -14.921 -1.141 -7.424 1.00 0.00 N ATOM 745 CA ASP A 50 -14.131 -1.305 -6.210 1.00 0.00 C ATOM 746 C ASP A 50 -12.915 -2.189 -6.469 1.00 0.00 C ATOM 747 O ASP A 50 -13.007 -3.203 -7.162 1.00 0.00 O ATOM 748 CB ASP A 50 -14.987 -1.909 -5.096 1.00 0.00 C ATOM 749 CG ASP A 50 -15.059 -1.016 -3.873 1.00 0.00 C ATOM 750 OD1 ASP A 50 -14.886 0.211 -4.024 1.00 0.00 O ATOM 751 OD2 ASP A 50 -15.287 -1.544 -2.764 1.00 0.00 O ATOM 0 H ASP A 50 -15.199 -2.016 -7.867 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.783 -0.321 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.994 -2.087 -5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.577 -2.878 -4.811 1.00 0.00 H new ATOM 756 N VAL A 51 -11.774 -1.798 -5.909 1.00 0.00 N ATOM 757 CA VAL A 51 -10.540 -2.554 -6.080 1.00 0.00 C ATOM 758 C VAL A 51 -10.065 -3.138 -4.753 1.00 0.00 C ATOM 759 O VAL A 51 -10.057 -2.453 -3.731 1.00 0.00 O ATOM 760 CB VAL A 51 -9.421 -1.677 -6.671 1.00 0.00 C ATOM 761 CG1 VAL A 51 -9.822 -1.151 -8.041 1.00 0.00 C ATOM 762 CG2 VAL A 51 -9.088 -0.531 -5.728 1.00 0.00 C ATOM 0 H VAL A 51 -11.680 -0.962 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.760 -3.365 -6.774 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.528 -2.290 -6.791 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.019 -0.533 -8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.006 -1.989 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.729 -0.553 -7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.295 0.078 -6.162 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.975 0.083 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.755 -0.932 -4.771 1.00 0.00 H new ATOM 772 N GLU A 52 -9.671 -4.407 -4.779 1.00 0.00 N ATOM 773 CA GLU A 52 -9.195 -5.082 -3.577 1.00 0.00 C ATOM 774 C GLU A 52 -8.015 -5.995 -3.898 1.00 0.00 C ATOM 775 O GLU A 52 -8.081 -6.817 -4.813 1.00 0.00 O ATOM 776 CB GLU A 52 -10.324 -5.895 -2.941 1.00 0.00 C ATOM 777 CG GLU A 52 -11.696 -5.264 -3.106 1.00 0.00 C ATOM 778 CD GLU A 52 -11.923 -4.104 -2.156 1.00 0.00 C ATOM 779 OE1 GLU A 52 -10.959 -3.704 -1.469 1.00 0.00 O ATOM 780 OE2 GLU A 52 -13.062 -3.597 -2.099 1.00 0.00 O ATOM 0 H GLU A 52 -9.672 -4.988 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.863 -4.321 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.336 -6.891 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.116 -6.020 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.810 -4.916 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.462 -6.021 -2.939 1.00 0.00 H new ATOM 787 N LEU A 53 -6.935 -5.844 -3.139 1.00 0.00 N ATOM 788 CA LEU A 53 -5.738 -6.654 -3.341 1.00 0.00 C ATOM 789 C LEU A 53 -5.331 -7.356 -2.050 1.00 0.00 C ATOM 790 O LEU A 53 -4.983 -6.709 -1.062 1.00 0.00 O ATOM 791 CB LEU A 53 -4.587 -5.781 -3.845 1.00 0.00 C ATOM 792 CG LEU A 53 -3.180 -6.345 -3.643 1.00 0.00 C ATOM 793 CD1 LEU A 53 -2.720 -6.132 -2.209 1.00 0.00 C ATOM 794 CD2 LEU A 53 -3.140 -7.822 -4.005 1.00 0.00 C ATOM 0 H LEU A 53 -6.863 -5.168 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.965 -7.413 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.735 -5.599 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.645 -4.814 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.497 -5.812 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.717 -6.540 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.709 -5.065 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.405 -6.638 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.131 -8.206 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.835 -8.371 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.425 -7.948 -5.049 1.00 0.00 H new ATOM 806 N SER A 54 -5.377 -8.684 -2.065 1.00 0.00 N ATOM 807 CA SER A 54 -5.014 -9.475 -0.894 1.00 0.00 C ATOM 808 C SER A 54 -3.799 -10.351 -1.185 1.00 0.00 C ATOM 809 O SER A 54 -3.491 -10.641 -2.342 1.00 0.00 O ATOM 810 CB SER A 54 -6.193 -10.347 -0.457 1.00 0.00 C ATOM 811 OG SER A 54 -6.202 -10.525 0.949 1.00 0.00 O ATOM 0 H SER A 54 -5.662 -9.235 -2.875 1.00 0.00 H new ATOM 0 HA SER A 54 -4.760 -8.788 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.128 -9.885 -0.774 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.134 -11.318 -0.949 1.00 0.00 H new ATOM 0 HG SER A 54 -6.966 -11.084 1.203 1.00 0.00 H new ATOM 817 N HIS A 55 -3.112 -10.769 -0.127 1.00 0.00 N ATOM 818 CA HIS A 55 -1.931 -11.613 -0.267 1.00 0.00 C ATOM 819 C HIS A 55 -2.277 -12.920 -0.973 1.00 0.00 C ATOM 820 O HIS A 55 -2.549 -13.932 -0.327 1.00 0.00 O ATOM 821 CB HIS A 55 -1.321 -11.905 1.104 1.00 0.00 C ATOM 822 CG HIS A 55 -0.164 -11.019 1.447 1.00 0.00 C ATOM 823 ND1 HIS A 55 0.032 -10.488 2.704 1.00 0.00 N ATOM 824 CD2 HIS A 55 0.864 -10.571 0.687 1.00 0.00 C ATOM 825 CE1 HIS A 55 1.128 -9.751 2.704 1.00 0.00 C ATOM 826 NE2 HIS A 55 1.652 -9.785 1.492 1.00 0.00 N ATOM 0 H HIS A 55 -3.353 -10.537 0.837 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.201 -11.076 -0.873 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.092 -11.793 1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.993 -12.944 1.132 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.033 -10.791 -0.357 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.528 -9.212 3.551 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.504 -9.305 1.201 1.00 0.00 H new ATOM 834 N GLY A 56 -2.266 -12.892 -2.302 1.00 0.00 N ATOM 835 CA GLY A 56 -2.582 -14.080 -3.072 1.00 0.00 C ATOM 836 C GLY A 56 -3.947 -14.002 -3.726 1.00 0.00 C ATOM 837 O GLY A 56 -4.449 -14.994 -4.255 1.00 0.00 O ATOM 0 H GLY A 56 -2.044 -12.067 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.822 -14.224 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.545 -14.952 -2.420 1.00 0.00 H new ATOM 841 N VAL A 57 -4.552 -12.818 -3.690 1.00 0.00 N ATOM 842 CA VAL A 57 -5.868 -12.614 -4.283 1.00 0.00 C ATOM 843 C VAL A 57 -6.014 -11.196 -4.822 1.00 0.00 C ATOM 844 O VAL A 57 -5.399 -10.260 -4.311 1.00 0.00 O ATOM 845 CB VAL A 57 -6.991 -12.881 -3.263 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.289 -13.226 -3.976 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.587 -13.992 -2.305 1.00 0.00 C ATOM 0 H VAL A 57 -4.151 -11.986 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.958 -13.324 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.154 -11.973 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.071 -13.411 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.584 -12.395 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.144 -14.119 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.392 -14.168 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.395 -14.906 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.684 -13.700 -1.769 1.00 0.00 H new ATOM 857 N MET A 58 -6.831 -11.044 -5.859 1.00 0.00 N ATOM 858 CA MET A 58 -7.058 -9.738 -6.468 1.00 0.00 C ATOM 859 C MET A 58 -8.528 -9.557 -6.832 1.00 0.00 C ATOM 860 O MET A 58 -8.969 -9.969 -7.906 1.00 0.00 O ATOM 861 CB MET A 58 -6.188 -9.575 -7.716 1.00 0.00 C ATOM 862 CG MET A 58 -5.631 -8.171 -7.888 1.00 0.00 C ATOM 863 SD MET A 58 -6.774 -6.896 -7.325 1.00 0.00 S ATOM 864 CE MET A 58 -7.831 -6.730 -8.762 1.00 0.00 C ATOM 0 H MET A 58 -7.347 -11.808 -6.295 1.00 0.00 H new ATOM 0 HA MET A 58 -6.785 -8.973 -5.741 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.360 -10.282 -7.667 1.00 0.00 H new ATOM 0 HB3 MET A 58 -6.777 -9.834 -8.596 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.696 -8.085 -7.335 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.396 -8.004 -8.939 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.164 -5.696 -8.851 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.275 -7.010 -9.657 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.697 -7.382 -8.654 1.00 0.00 H new ATOM 874 N THR A 59 -9.285 -8.938 -5.931 1.00 0.00 N ATOM 875 CA THR A 59 -10.705 -8.703 -6.156 1.00 0.00 C ATOM 876 C THR A 59 -10.938 -7.372 -6.862 1.00 0.00 C ATOM 877 O THR A 59 -10.194 -6.412 -6.659 1.00 0.00 O ATOM 878 CB THR A 59 -11.493 -8.714 -4.833 1.00 0.00 C ATOM 879 OG1 THR A 59 -10.639 -9.115 -3.757 1.00 0.00 O ATOM 880 CG2 THR A 59 -12.685 -9.656 -4.920 1.00 0.00 C ATOM 0 H THR A 59 -8.937 -8.590 -5.038 1.00 0.00 H new ATOM 0 HA THR A 59 -11.062 -9.514 -6.790 1.00 0.00 H new ATOM 0 HB THR A 59 -11.861 -7.705 -4.647 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.025 -8.821 -2.906 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.226 -9.647 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.349 -9.330 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.335 -10.667 -5.128 1.00 0.00 H new ATOM 888 N LEU A 60 -11.974 -7.321 -7.692 1.00 0.00 N ATOM 889 CA LEU A 60 -12.305 -6.107 -8.429 1.00 0.00 C ATOM 890 C LEU A 60 -13.809 -6.005 -8.663 1.00 0.00 C ATOM 891 O LEU A 60 -14.351 -6.648 -9.562 1.00 0.00 O ATOM 892 CB LEU A 60 -11.566 -6.081 -9.768 1.00 0.00 C ATOM 893 CG LEU A 60 -12.002 -4.997 -10.754 1.00 0.00 C ATOM 894 CD1 LEU A 60 -11.269 -3.694 -10.475 1.00 0.00 C ATOM 895 CD2 LEU A 60 -11.760 -5.451 -12.186 1.00 0.00 C ATOM 0 H LEU A 60 -12.599 -8.107 -7.871 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.990 -5.252 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.501 -5.957 -9.570 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.690 -7.052 -10.248 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.070 -4.823 -10.624 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.593 -2.935 -11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.493 -3.360 -9.462 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.195 -3.852 -10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.076 -4.667 -12.874 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.699 -5.653 -12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.332 -6.358 -12.382 1.00 0.00 H new ATOM 907 N GLU A 61 -14.476 -5.192 -7.850 1.00 0.00 N ATOM 908 CA GLU A 61 -15.917 -5.006 -7.971 1.00 0.00 C ATOM 909 C GLU A 61 -16.253 -4.128 -9.173 1.00 0.00 C ATOM 910 O GLU A 61 -15.555 -3.155 -9.459 1.00 0.00 O ATOM 911 CB GLU A 61 -16.482 -4.379 -6.694 1.00 0.00 C ATOM 912 CG GLU A 61 -17.483 -3.266 -6.954 1.00 0.00 C ATOM 913 CD GLU A 61 -18.351 -2.969 -5.746 1.00 0.00 C ATOM 914 OE1 GLU A 61 -18.842 -3.931 -5.118 1.00 0.00 O ATOM 915 OE2 GLU A 61 -18.539 -1.776 -5.430 1.00 0.00 O ATOM 0 H GLU A 61 -14.042 -4.652 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.373 -5.985 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -16.962 -5.156 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.659 -3.984 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.948 -2.362 -7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.119 -3.543 -7.795 1.00 0.00 H new ATOM 922 N ILE A 62 -17.327 -4.480 -9.873 1.00 0.00 N ATOM 923 CA ILE A 62 -17.756 -3.724 -11.043 1.00 0.00 C ATOM 924 C ILE A 62 -19.273 -3.574 -11.075 1.00 0.00 C ATOM 925 O ILE A 62 -19.998 -4.447 -11.554 1.00 0.00 O ATOM 926 CB ILE A 62 -17.291 -4.396 -12.349 1.00 0.00 C ATOM 927 CG1 ILE A 62 -15.813 -4.781 -12.251 1.00 0.00 C ATOM 928 CG2 ILE A 62 -17.526 -3.471 -13.534 1.00 0.00 C ATOM 929 CD1 ILE A 62 -14.874 -3.599 -12.338 1.00 0.00 C ATOM 0 H ILE A 62 -17.915 -5.283 -9.650 1.00 0.00 H new ATOM 0 HA ILE A 62 -17.297 -2.738 -10.967 1.00 0.00 H new ATOM 0 HB ILE A 62 -17.875 -5.304 -12.501 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -15.643 -5.301 -11.308 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -15.575 -5.483 -13.050 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -17.192 -3.960 -14.449 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -18.589 -3.242 -13.612 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -16.965 -2.547 -13.391 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.844 -3.946 -12.261 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -15.016 -3.091 -13.292 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -15.085 -2.906 -11.523 1.00 0.00 H new ATOM 941 N PRO A 63 -19.767 -2.441 -10.554 1.00 0.00 N ATOM 942 CA PRO A 63 -21.203 -2.149 -10.512 1.00 0.00 C ATOM 943 C PRO A 63 -21.779 -1.878 -11.898 1.00 0.00 C ATOM 944 O PRO A 63 -22.237 -0.772 -12.185 1.00 0.00 O ATOM 945 CB PRO A 63 -21.283 -0.890 -9.644 1.00 0.00 C ATOM 946 CG PRO A 63 -19.952 -0.240 -9.796 1.00 0.00 C ATOM 947 CD PRO A 63 -18.961 -1.358 -9.965 1.00 0.00 C ATOM 0 HA PRO A 63 -21.779 -2.989 -10.123 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -22.086 -0.231 -9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -21.485 -1.139 -8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -19.939 0.426 -10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -19.712 0.366 -8.922 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -18.137 -1.070 -10.618 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.524 -1.655 -9.012 1.00 0.00 H new ATOM 955 N ALA A 64 -21.754 -2.895 -12.753 1.00 0.00 N ATOM 956 CA ALA A 64 -22.277 -2.767 -14.108 1.00 0.00 C ATOM 957 C ALA A 64 -22.311 -4.119 -14.813 1.00 0.00 C ATOM 958 O ALA A 64 -23.225 -4.403 -15.587 1.00 0.00 O ATOM 959 CB ALA A 64 -21.443 -1.775 -14.904 1.00 0.00 C ATOM 0 H ALA A 64 -21.377 -3.817 -12.532 1.00 0.00 H new ATOM 0 HA ALA A 64 -23.299 -2.395 -14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -21.845 -1.689 -15.914 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -21.474 -0.800 -14.417 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -20.411 -2.123 -14.952 1.00 0.00 H new ATOM 965 N PHE A 65 -21.309 -4.948 -14.541 1.00 0.00 N ATOM 966 CA PHE A 65 -21.223 -6.270 -15.151 1.00 0.00 C ATOM 967 C PHE A 65 -21.115 -7.355 -14.084 1.00 0.00 C ATOM 968 O PHE A 65 -21.435 -8.517 -14.331 1.00 0.00 O ATOM 969 CB PHE A 65 -20.020 -6.343 -16.093 1.00 0.00 C ATOM 970 CG PHE A 65 -19.369 -5.012 -16.338 1.00 0.00 C ATOM 971 CD1 PHE A 65 -20.123 -3.920 -16.737 1.00 0.00 C ATOM 972 CD2 PHE A 65 -18.003 -4.852 -16.169 1.00 0.00 C ATOM 973 CE1 PHE A 65 -19.526 -2.694 -16.964 1.00 0.00 C ATOM 974 CE2 PHE A 65 -17.400 -3.629 -16.394 1.00 0.00 C ATOM 975 CZ PHE A 65 -18.163 -2.548 -16.790 1.00 0.00 C ATOM 0 H PHE A 65 -20.545 -4.728 -13.902 1.00 0.00 H new ATOM 0 HA PHE A 65 -22.135 -6.438 -15.724 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -19.282 -7.028 -15.675 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -20.340 -6.763 -17.047 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.189 -4.028 -16.872 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -17.402 -5.694 -15.858 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -20.124 -1.851 -17.277 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.334 -3.519 -16.260 1.00 0.00 H new ATOM 0 HZ PHE A 65 -17.695 -1.590 -16.963 1.00 0.00 H new ATOM 985 N GLY A 66 -20.660 -6.967 -12.897 1.00 0.00 N ATOM 986 CA GLY A 66 -20.516 -7.918 -11.810 1.00 0.00 C ATOM 987 C GLY A 66 -19.266 -7.674 -10.988 1.00 0.00 C ATOM 988 O GLY A 66 -18.856 -6.529 -10.791 1.00 0.00 O ATOM 0 H GLY A 66 -20.388 -6.011 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -21.390 -7.859 -11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -20.488 -8.929 -12.217 1.00 0.00 H new ATOM 992 N THR A 67 -18.659 -8.752 -10.503 1.00 0.00 N ATOM 993 CA THR A 67 -17.450 -8.650 -9.694 1.00 0.00 C ATOM 994 C THR A 67 -16.345 -9.546 -10.241 1.00 0.00 C ATOM 995 O THR A 67 -16.508 -10.763 -10.333 1.00 0.00 O ATOM 996 CB THR A 67 -17.723 -9.028 -8.226 1.00 0.00 C ATOM 997 OG1 THR A 67 -19.096 -8.783 -7.904 1.00 0.00 O ATOM 998 CG2 THR A 67 -16.827 -8.234 -7.287 1.00 0.00 C ATOM 0 H THR A 67 -18.985 -9.706 -10.656 1.00 0.00 H new ATOM 0 HA THR A 67 -17.126 -7.610 -9.739 1.00 0.00 H new ATOM 0 HB THR A 67 -17.505 -10.089 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 67 -19.262 -9.028 -6.970 1.00 0.00 H new ATOM 0 HG21 THR A 67 -17.038 -8.518 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 67 -15.782 -8.446 -7.515 1.00 0.00 H new ATOM 0 HG23 THR A 67 -17.018 -7.169 -7.416 1.00 0.00 H new ATOM 1006 N TYR A 68 -15.221 -8.937 -10.603 1.00 0.00 N ATOM 1007 CA TYR A 68 -14.089 -9.681 -11.143 1.00 0.00 C ATOM 1008 C TYR A 68 -13.111 -10.064 -10.036 1.00 0.00 C ATOM 1009 O TYR A 68 -12.730 -9.232 -9.213 1.00 0.00 O ATOM 1010 CB TYR A 68 -13.371 -8.853 -12.210 1.00 0.00 C ATOM 1011 CG TYR A 68 -13.697 -9.275 -13.625 1.00 0.00 C ATOM 1012 CD1 TYR A 68 -13.505 -10.586 -14.042 1.00 0.00 C ATOM 1013 CD2 TYR A 68 -14.199 -8.361 -14.544 1.00 0.00 C ATOM 1014 CE1 TYR A 68 -13.801 -10.975 -15.334 1.00 0.00 C ATOM 1015 CE2 TYR A 68 -14.500 -8.742 -15.837 1.00 0.00 C ATOM 1016 CZ TYR A 68 -14.298 -10.049 -16.228 1.00 0.00 C ATOM 1017 OH TYR A 68 -14.596 -10.433 -17.515 1.00 0.00 O ATOM 0 H TYR A 68 -15.070 -7.931 -10.532 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.470 -10.595 -11.598 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -13.636 -7.803 -12.083 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -12.295 -8.931 -12.055 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.118 -11.314 -13.344 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -14.356 -7.336 -14.242 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.644 -11.998 -15.643 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -14.892 -8.020 -16.538 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.937 -9.663 -18.016 1.00 0.00 H new ATOM 1027 N VAL A 69 -12.708 -11.330 -10.024 1.00 0.00 N ATOM 1028 CA VAL A 69 -11.773 -11.825 -9.021 1.00 0.00 C ATOM 1029 C VAL A 69 -10.635 -12.606 -9.668 1.00 0.00 C ATOM 1030 O VAL A 69 -10.855 -13.400 -10.584 1.00 0.00 O ATOM 1031 CB VAL A 69 -12.480 -12.727 -7.991 1.00 0.00 C ATOM 1032 CG1 VAL A 69 -11.750 -12.688 -6.657 1.00 0.00 C ATOM 1033 CG2 VAL A 69 -13.933 -12.309 -7.826 1.00 0.00 C ATOM 0 H VAL A 69 -13.014 -12.032 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.366 -10.952 -8.510 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.461 -13.753 -8.358 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.264 -13.331 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.727 -13.040 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.735 -11.665 -6.280 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -14.417 -12.957 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -13.978 -11.276 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -14.447 -12.395 -8.783 1.00 0.00 H new ATOM 1043 N ILE A 70 -9.418 -12.377 -9.186 1.00 0.00 N ATOM 1044 CA ILE A 70 -8.245 -13.061 -9.717 1.00 0.00 C ATOM 1045 C ILE A 70 -7.240 -13.367 -8.612 1.00 0.00 C ATOM 1046 O ILE A 70 -6.662 -12.459 -8.016 1.00 0.00 O ATOM 1047 CB ILE A 70 -7.552 -12.224 -10.809 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -8.584 -11.406 -11.587 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -6.766 -13.127 -11.748 1.00 0.00 C ATOM 1050 CD1 ILE A 70 -8.163 -11.096 -13.007 1.00 0.00 C ATOM 0 H ILE A 70 -9.218 -11.723 -8.429 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.596 -13.996 -10.155 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.856 -11.535 -10.331 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.528 -11.951 -11.607 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.768 -10.471 -11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.282 -12.522 -12.514 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.009 -13.670 -11.182 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.444 -13.838 -12.221 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.942 -10.514 -13.499 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.236 -10.524 -12.995 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.007 -12.027 -13.552 1.00 0.00 H new ATOM 1062 N ASN A 71 -7.037 -14.653 -8.344 1.00 0.00 N ATOM 1063 CA ASN A 71 -6.100 -15.080 -7.311 1.00 0.00 C ATOM 1064 C ASN A 71 -4.996 -15.950 -7.904 1.00 0.00 C ATOM 1065 O ASN A 71 -5.168 -16.557 -8.961 1.00 0.00 O ATOM 1066 CB ASN A 71 -6.836 -15.849 -6.212 1.00 0.00 C ATOM 1067 CG ASN A 71 -6.196 -17.192 -5.919 1.00 0.00 C ATOM 1068 OD1 ASN A 71 -6.037 -18.024 -6.812 1.00 0.00 O ATOM 1069 ND2 ASN A 71 -5.826 -17.409 -4.662 1.00 0.00 N ATOM 0 H ASN A 71 -7.509 -15.417 -8.828 1.00 0.00 H new ATOM 0 HA ASN A 71 -5.644 -14.189 -6.879 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.851 -15.250 -5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.873 -16.001 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.390 -18.295 -4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.977 -16.690 -3.954 1.00 0.00 H new ATOM 1076 N LYS A 72 -3.861 -16.006 -7.215 1.00 0.00 N ATOM 1077 CA LYS A 72 -2.728 -16.803 -7.671 1.00 0.00 C ATOM 1078 C LYS A 72 -2.063 -17.522 -6.501 1.00 0.00 C ATOM 1079 O LYS A 72 -0.957 -18.045 -6.631 1.00 0.00 O ATOM 1080 CB LYS A 72 -1.706 -15.914 -8.383 1.00 0.00 C ATOM 1081 CG LYS A 72 -0.623 -15.376 -7.464 1.00 0.00 C ATOM 1082 CD LYS A 72 -1.211 -14.787 -6.193 1.00 0.00 C ATOM 1083 CE LYS A 72 -0.339 -13.670 -5.641 1.00 0.00 C ATOM 1084 NZ LYS A 72 0.672 -14.182 -4.675 1.00 0.00 N ATOM 0 H LYS A 72 -3.701 -15.509 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.100 -17.551 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.239 -16.483 -9.187 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.226 -15.076 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.069 -16.178 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.047 -14.613 -7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.210 -14.403 -6.397 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.318 -15.571 -5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.168 -13.165 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.968 -12.928 -5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.446 -13.837 -3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.661 -15.222 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.617 -13.845 -4.950 1.00 0.00 H new ATOM 1098 N GLN A 73 -2.746 -17.545 -5.361 1.00 0.00 N ATOM 1099 CA GLN A 73 -2.221 -18.201 -4.170 1.00 0.00 C ATOM 1100 C GLN A 73 -3.195 -19.257 -3.656 1.00 0.00 C ATOM 1101 O GLN A 73 -3.397 -19.416 -2.452 1.00 0.00 O ATOM 1102 CB GLN A 73 -1.944 -17.170 -3.074 1.00 0.00 C ATOM 1103 CG GLN A 73 -1.000 -17.671 -1.993 1.00 0.00 C ATOM 1104 CD GLN A 73 0.080 -18.584 -2.538 1.00 0.00 C ATOM 1105 OE1 GLN A 73 1.014 -18.133 -3.202 1.00 0.00 O ATOM 1106 NE2 GLN A 73 -0.041 -19.876 -2.259 1.00 0.00 N ATOM 0 H GLN A 73 -3.664 -17.117 -5.237 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.287 -18.694 -4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.521 -16.274 -3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.888 -16.878 -2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -0.534 -16.818 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.573 -18.205 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.831 -20.206 -1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.656 -20.539 -2.598 1.00 0.00 H new ATOM 1115 N PRO A 74 -3.813 -19.996 -4.589 1.00 0.00 N ATOM 1116 CA PRO A 74 -4.776 -21.050 -4.254 1.00 0.00 C ATOM 1117 C PRO A 74 -4.111 -22.256 -3.599 1.00 0.00 C ATOM 1118 O PRO A 74 -2.896 -22.441 -3.672 1.00 0.00 O ATOM 1119 CB PRO A 74 -5.366 -21.436 -5.612 1.00 0.00 C ATOM 1120 CG PRO A 74 -4.311 -21.074 -6.600 1.00 0.00 C ATOM 1121 CD PRO A 74 -3.621 -19.860 -6.042 1.00 0.00 C ATOM 0 HA PRO A 74 -5.519 -20.709 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.600 -22.500 -5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.293 -20.898 -5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.607 -21.895 -6.737 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.747 -20.861 -7.576 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.564 -19.841 -6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.061 -18.938 -6.421 1.00 0.00 H new ATOM 1129 N PRO A 75 -4.924 -23.097 -2.944 1.00 0.00 N ATOM 1130 CA PRO A 75 -4.436 -24.301 -2.264 1.00 0.00 C ATOM 1131 C PRO A 75 -3.961 -25.368 -3.245 1.00 0.00 C ATOM 1132 O PRO A 75 -4.500 -26.473 -3.284 1.00 0.00 O ATOM 1133 CB PRO A 75 -5.661 -24.793 -1.491 1.00 0.00 C ATOM 1134 CG PRO A 75 -6.827 -24.258 -2.248 1.00 0.00 C ATOM 1135 CD PRO A 75 -6.382 -22.939 -2.816 1.00 0.00 C ATOM 0 HA PRO A 75 -3.573 -24.091 -1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.687 -25.882 -1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.654 -24.427 -0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -7.125 -24.944 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -7.691 -24.130 -1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.850 -22.738 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.640 -22.110 -2.157 1.00 0.00 H new ATOM 1143 N ASN A 76 -2.947 -25.030 -4.035 1.00 0.00 N ATOM 1144 CA ASN A 76 -2.399 -25.959 -5.016 1.00 0.00 C ATOM 1145 C ASN A 76 -1.641 -25.213 -6.109 1.00 0.00 C ATOM 1146 O ASN A 76 -1.670 -25.601 -7.277 1.00 0.00 O ATOM 1147 CB ASN A 76 -3.519 -26.796 -5.637 1.00 0.00 C ATOM 1148 CG ASN A 76 -3.646 -28.163 -4.992 1.00 0.00 C ATOM 1149 OD1 ASN A 76 -2.982 -28.456 -3.998 1.00 0.00 O ATOM 1150 ND2 ASN A 76 -4.502 -29.006 -5.557 1.00 0.00 N ATOM 0 H ASN A 76 -2.488 -24.119 -4.015 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.701 -26.621 -4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.464 -26.262 -5.540 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.330 -26.917 -6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.630 -29.940 -5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.031 -28.720 -6.380 1.00 0.00 H new ATOM 1157 N LYS A 77 -0.961 -24.139 -5.722 1.00 0.00 N ATOM 1158 CA LYS A 77 -0.192 -23.337 -6.666 1.00 0.00 C ATOM 1159 C LYS A 77 -0.898 -23.262 -8.016 1.00 0.00 C ATOM 1160 O LYS A 77 -0.670 -24.095 -8.893 1.00 0.00 O ATOM 1161 CB LYS A 77 1.209 -23.926 -6.844 1.00 0.00 C ATOM 1162 CG LYS A 77 1.851 -23.576 -8.175 1.00 0.00 C ATOM 1163 CD LYS A 77 1.831 -24.757 -9.132 1.00 0.00 C ATOM 1164 CE LYS A 77 3.176 -25.465 -9.172 1.00 0.00 C ATOM 1165 NZ LYS A 77 3.120 -26.717 -9.977 1.00 0.00 N ATOM 0 H LYS A 77 -0.927 -23.804 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.107 -22.328 -6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.849 -23.570 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.153 -25.011 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.324 -22.734 -8.624 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.880 -23.257 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.057 -25.461 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.571 -24.412 -10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.926 -24.796 -9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.493 -25.700 -8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.074 -27.125 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.486 -27.399 -9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.761 -26.502 -10.929 1.00 0.00 H new ATOM 1179 N GLN A 78 -1.755 -22.259 -8.176 1.00 0.00 N ATOM 1180 CA GLN A 78 -2.493 -22.075 -9.420 1.00 0.00 C ATOM 1181 C GLN A 78 -3.101 -20.679 -9.492 1.00 0.00 C ATOM 1182 O GLN A 78 -2.996 -19.897 -8.547 1.00 0.00 O ATOM 1183 CB GLN A 78 -3.593 -23.131 -9.545 1.00 0.00 C ATOM 1184 CG GLN A 78 -3.189 -24.335 -10.380 1.00 0.00 C ATOM 1185 CD GLN A 78 -3.341 -25.643 -9.629 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -4.330 -25.858 -8.928 1.00 0.00 O ATOM 1187 NE2 GLN A 78 -2.360 -26.526 -9.773 1.00 0.00 N ATOM 0 H GLN A 78 -1.955 -21.561 -7.460 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.794 -22.189 -10.248 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.875 -23.469 -8.548 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.477 -22.672 -9.988 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.798 -24.366 -11.284 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.153 -24.221 -10.698 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.558 -26.306 -10.364 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.408 -27.424 -9.292 1.00 0.00 H new ATOM 1196 N ILE A 79 -3.736 -20.372 -10.618 1.00 0.00 N ATOM 1197 CA ILE A 79 -4.362 -19.070 -10.812 1.00 0.00 C ATOM 1198 C ILE A 79 -5.876 -19.201 -10.937 1.00 0.00 C ATOM 1199 O ILE A 79 -6.379 -19.863 -11.845 1.00 0.00 O ATOM 1200 CB ILE A 79 -3.813 -18.363 -12.065 1.00 0.00 C ATOM 1201 CG1 ILE A 79 -2.636 -17.459 -11.693 1.00 0.00 C ATOM 1202 CG2 ILE A 79 -4.912 -17.559 -12.743 1.00 0.00 C ATOM 1203 CD1 ILE A 79 -2.294 -16.443 -12.761 1.00 0.00 C ATOM 0 H ILE A 79 -3.831 -21.008 -11.410 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.124 -18.471 -9.933 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.458 -19.119 -12.765 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.869 -16.935 -10.766 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.760 -18.078 -11.498 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.509 -17.065 -13.627 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.722 -18.226 -13.038 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.294 -16.809 -12.051 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.451 -15.837 -12.430 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.029 -16.960 -13.683 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.155 -15.799 -12.940 1.00 0.00 H new ATOM 1215 N TRP A 80 -6.596 -18.564 -10.022 1.00 0.00 N ATOM 1216 CA TRP A 80 -8.054 -18.607 -10.031 1.00 0.00 C ATOM 1217 C TRP A 80 -8.631 -17.372 -10.713 1.00 0.00 C ATOM 1218 O TRP A 80 -8.144 -16.257 -10.518 1.00 0.00 O ATOM 1219 CB TRP A 80 -8.591 -18.713 -8.602 1.00 0.00 C ATOM 1220 CG TRP A 80 -8.718 -20.126 -8.119 1.00 0.00 C ATOM 1221 CD1 TRP A 80 -7.786 -21.117 -8.230 1.00 0.00 C ATOM 1222 CD2 TRP A 80 -9.845 -20.705 -7.451 1.00 0.00 C ATOM 1223 NE1 TRP A 80 -8.264 -22.278 -7.671 1.00 0.00 N ATOM 1224 CE2 TRP A 80 -9.525 -22.050 -7.185 1.00 0.00 C ATOM 1225 CE3 TRP A 80 -11.091 -20.217 -7.049 1.00 0.00 C ATOM 1226 CZ2 TRP A 80 -10.408 -22.911 -6.538 1.00 0.00 C ATOM 1227 CZ3 TRP A 80 -11.966 -21.072 -6.407 1.00 0.00 C ATOM 1228 CH2 TRP A 80 -11.621 -22.407 -6.156 1.00 0.00 C ATOM 0 H TRP A 80 -6.195 -18.011 -9.264 1.00 0.00 H new ATOM 0 HA TRP A 80 -8.363 -19.488 -10.594 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -7.929 -18.165 -7.931 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.567 -18.230 -8.551 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.815 -21.005 -8.690 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -7.762 -23.165 -7.625 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -11.365 -19.189 -7.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -10.144 -23.940 -6.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -12.932 -20.705 -6.093 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -12.326 -23.050 -5.651 1.00 0.00 H new ATOM 1239 N LEU A 81 -9.671 -17.575 -11.514 1.00 0.00 N ATOM 1240 CA LEU A 81 -10.316 -16.477 -12.226 1.00 0.00 C ATOM 1241 C LEU A 81 -11.827 -16.510 -12.026 1.00 0.00 C ATOM 1242 O LEU A 81 -12.523 -17.338 -12.613 1.00 0.00 O ATOM 1243 CB LEU A 81 -9.986 -16.547 -13.718 1.00 0.00 C ATOM 1244 CG LEU A 81 -9.959 -15.212 -14.463 1.00 0.00 C ATOM 1245 CD1 LEU A 81 -10.659 -15.337 -15.808 1.00 0.00 C ATOM 1246 CD2 LEU A 81 -10.605 -14.119 -13.623 1.00 0.00 C ATOM 0 H LEU A 81 -10.086 -18.491 -11.687 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.935 -15.540 -11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.012 -17.024 -13.832 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.717 -17.195 -14.201 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.919 -14.938 -14.642 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.630 -14.377 -16.324 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.153 -16.090 -16.413 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.696 -15.634 -15.652 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.577 -13.176 -14.169 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.641 -14.386 -13.413 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.061 -14.011 -12.685 1.00 0.00 H new ATOM 1258 N ALA A 82 -12.329 -15.603 -11.194 1.00 0.00 N ATOM 1259 CA ALA A 82 -13.759 -15.525 -10.920 1.00 0.00 C ATOM 1260 C ALA A 82 -14.425 -14.455 -11.778 1.00 0.00 C ATOM 1261 O ALA A 82 -14.147 -13.265 -11.629 1.00 0.00 O ATOM 1262 CB ALA A 82 -13.999 -15.247 -9.444 1.00 0.00 C ATOM 0 H ALA A 82 -11.766 -14.912 -10.698 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.206 -16.486 -11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.071 -15.191 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.566 -16.050 -8.847 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.533 -14.300 -9.172 1.00 0.00 H new ATOM 1268 N SER A 83 -15.305 -14.886 -12.676 1.00 0.00 N ATOM 1269 CA SER A 83 -16.008 -13.964 -13.561 1.00 0.00 C ATOM 1270 C SER A 83 -16.959 -13.071 -12.770 1.00 0.00 C ATOM 1271 O SER A 83 -17.213 -13.287 -11.585 1.00 0.00 O ATOM 1272 CB SER A 83 -16.785 -14.739 -14.626 1.00 0.00 C ATOM 1273 OG SER A 83 -16.566 -16.134 -14.504 1.00 0.00 O ATOM 0 H SER A 83 -15.548 -15.867 -12.810 1.00 0.00 H new ATOM 0 HA SER A 83 -15.267 -13.332 -14.050 1.00 0.00 H new ATOM 0 HB2 SER A 83 -17.850 -14.525 -14.531 1.00 0.00 H new ATOM 0 HB3 SER A 83 -16.480 -14.405 -15.618 1.00 0.00 H new ATOM 0 HG SER A 83 -17.075 -16.607 -15.195 1.00 0.00 H new ATOM 1279 N PRO A 84 -17.498 -12.042 -13.441 1.00 0.00 N ATOM 1280 CA PRO A 84 -18.430 -11.094 -12.822 1.00 0.00 C ATOM 1281 C PRO A 84 -19.782 -11.729 -12.514 1.00 0.00 C ATOM 1282 O PRO A 84 -20.664 -11.088 -11.942 1.00 0.00 O ATOM 1283 CB PRO A 84 -18.581 -10.002 -13.883 1.00 0.00 C ATOM 1284 CG PRO A 84 -18.274 -10.681 -15.173 1.00 0.00 C ATOM 1285 CD PRO A 84 -17.239 -11.724 -14.856 1.00 0.00 C ATOM 0 HA PRO A 84 -18.063 -10.728 -11.863 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -19.589 -9.588 -13.884 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -17.896 -9.174 -13.699 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -19.169 -11.136 -15.597 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.899 -9.970 -15.909 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -17.346 -12.603 -15.492 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -16.228 -11.345 -15.004 1.00 0.00 H new ATOM 1293 N LEU A 85 -19.938 -12.991 -12.897 1.00 0.00 N ATOM 1294 CA LEU A 85 -21.184 -13.713 -12.661 1.00 0.00 C ATOM 1295 C LEU A 85 -20.944 -14.943 -11.791 1.00 0.00 C ATOM 1296 O LEU A 85 -21.702 -15.912 -11.846 1.00 0.00 O ATOM 1297 CB LEU A 85 -21.814 -14.130 -13.991 1.00 0.00 C ATOM 1298 CG LEU A 85 -20.950 -15.006 -14.898 1.00 0.00 C ATOM 1299 CD1 LEU A 85 -21.786 -16.106 -15.533 1.00 0.00 C ATOM 1300 CD2 LEU A 85 -20.275 -14.161 -15.970 1.00 0.00 C ATOM 0 H LEU A 85 -19.218 -13.536 -13.372 1.00 0.00 H new ATOM 0 HA LEU A 85 -21.868 -13.047 -12.135 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -22.740 -14.664 -13.780 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -22.084 -13.228 -14.541 1.00 0.00 H new ATOM 0 HG LEU A 85 -20.176 -15.472 -14.289 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -21.153 -16.719 -16.175 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -22.222 -16.729 -14.752 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -22.583 -15.660 -16.128 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -19.664 -14.801 -16.607 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -21.035 -13.666 -16.575 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -19.643 -13.410 -15.497 1.00 0.00 H new ATOM 1312 N SER A 86 -19.886 -14.896 -10.988 1.00 0.00 N ATOM 1313 CA SER A 86 -19.546 -16.007 -10.107 1.00 0.00 C ATOM 1314 C SER A 86 -19.089 -17.219 -10.913 1.00 0.00 C ATOM 1315 O SER A 86 -19.781 -18.235 -10.974 1.00 0.00 O ATOM 1316 CB SER A 86 -20.747 -16.382 -9.236 1.00 0.00 C ATOM 1317 OG SER A 86 -20.344 -17.147 -8.113 1.00 0.00 O ATOM 0 H SER A 86 -19.250 -14.101 -10.929 1.00 0.00 H new ATOM 0 HA SER A 86 -18.725 -15.690 -9.464 1.00 0.00 H new ATOM 0 HB2 SER A 86 -21.254 -15.477 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 86 -21.466 -16.949 -9.827 1.00 0.00 H new ATOM 0 HG SER A 86 -21.129 -17.372 -7.572 1.00 0.00 H new ATOM 1323 N GLY A 87 -17.917 -17.104 -11.531 1.00 0.00 N ATOM 1324 CA GLY A 87 -17.387 -18.197 -12.326 1.00 0.00 C ATOM 1325 C GLY A 87 -15.882 -18.323 -12.206 1.00 0.00 C ATOM 1326 O GLY A 87 -15.126 -17.786 -13.016 1.00 0.00 O ATOM 0 H GLY A 87 -17.325 -16.274 -11.495 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -17.853 -19.131 -12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.654 -18.044 -13.372 1.00 0.00 H new ATOM 1330 N PRO A 88 -15.425 -19.047 -11.174 1.00 0.00 N ATOM 1331 CA PRO A 88 -13.996 -19.258 -10.925 1.00 0.00 C ATOM 1332 C PRO A 88 -13.353 -20.163 -11.971 1.00 0.00 C ATOM 1333 O PRO A 88 -13.960 -21.133 -12.423 1.00 0.00 O ATOM 1334 CB PRO A 88 -13.970 -19.929 -9.550 1.00 0.00 C ATOM 1335 CG PRO A 88 -15.298 -20.592 -9.426 1.00 0.00 C ATOM 1336 CD PRO A 88 -16.269 -19.716 -10.169 1.00 0.00 C ATOM 0 HA PRO A 88 -13.433 -18.326 -10.970 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.158 -20.653 -9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -13.817 -19.198 -8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.274 -21.596 -9.850 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -15.587 -20.695 -8.380 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.062 -20.301 -10.635 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -16.750 -18.997 -9.506 1.00 0.00 H new ATOM 1344 N ASN A 89 -12.121 -19.840 -12.351 1.00 0.00 N ATOM 1345 CA ASN A 89 -11.397 -20.624 -13.344 1.00 0.00 C ATOM 1346 C ASN A 89 -9.993 -20.962 -12.851 1.00 0.00 C ATOM 1347 O ASN A 89 -9.209 -20.072 -12.520 1.00 0.00 O ATOM 1348 CB ASN A 89 -11.315 -19.860 -14.667 1.00 0.00 C ATOM 1349 CG ASN A 89 -12.078 -20.551 -15.781 1.00 0.00 C ATOM 1350 OD1 ASN A 89 -12.973 -21.357 -15.529 1.00 0.00 O ATOM 1351 ND2 ASN A 89 -11.724 -20.237 -17.022 1.00 0.00 N ATOM 0 H ASN A 89 -11.603 -19.040 -11.986 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.941 -21.555 -13.503 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -11.712 -18.854 -14.528 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.270 -19.753 -14.958 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.200 -20.670 -17.813 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.976 -19.563 -17.184 1.00 0.00 H new ATOM 1358 N ARG A 90 -9.682 -22.253 -12.807 1.00 0.00 N ATOM 1359 CA ARG A 90 -8.373 -22.709 -12.354 1.00 0.00 C ATOM 1360 C ARG A 90 -7.378 -22.740 -13.511 1.00 0.00 C ATOM 1361 O ARG A 90 -7.607 -23.403 -14.523 1.00 0.00 O ATOM 1362 CB ARG A 90 -8.483 -24.099 -11.725 1.00 0.00 C ATOM 1363 CG ARG A 90 -9.865 -24.410 -11.173 1.00 0.00 C ATOM 1364 CD ARG A 90 -9.798 -25.433 -10.050 1.00 0.00 C ATOM 1365 NE ARG A 90 -10.438 -26.693 -10.418 1.00 0.00 N ATOM 1366 CZ ARG A 90 -10.364 -27.797 -9.683 1.00 0.00 C ATOM 1367 NH1 ARG A 90 -9.682 -27.796 -8.546 1.00 0.00 N ATOM 1368 NH2 ARG A 90 -10.974 -28.905 -10.085 1.00 0.00 N ATOM 0 H ARG A 90 -10.318 -23.002 -13.079 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.011 -22.006 -11.604 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.222 -24.848 -12.472 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.752 -24.183 -10.921 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.326 -23.493 -10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.501 -24.788 -11.973 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.756 -25.618 -9.790 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.281 -25.027 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.971 -26.727 -11.287 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.212 -26.946 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.627 -28.645 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.500 -28.909 -10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.917 -29.752 -9.520 1.00 0.00 H new ATOM 1382 N PHE A 91 -6.274 -22.018 -13.354 1.00 0.00 N ATOM 1383 CA PHE A 91 -5.245 -21.961 -14.386 1.00 0.00 C ATOM 1384 C PHE A 91 -3.955 -22.619 -13.905 1.00 0.00 C ATOM 1385 O PHE A 91 -3.543 -22.437 -12.759 1.00 0.00 O ATOM 1386 CB PHE A 91 -4.972 -20.509 -14.785 1.00 0.00 C ATOM 1387 CG PHE A 91 -6.042 -19.915 -15.654 1.00 0.00 C ATOM 1388 CD1 PHE A 91 -7.158 -19.316 -15.091 1.00 0.00 C ATOM 1389 CD2 PHE A 91 -5.934 -19.956 -17.035 1.00 0.00 C ATOM 1390 CE1 PHE A 91 -8.145 -18.768 -15.888 1.00 0.00 C ATOM 1391 CE2 PHE A 91 -6.917 -19.409 -17.837 1.00 0.00 C ATOM 1392 CZ PHE A 91 -8.025 -18.815 -17.263 1.00 0.00 C ATOM 0 H PHE A 91 -6.069 -21.464 -12.522 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.608 -22.507 -15.256 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.871 -19.906 -13.883 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.018 -20.458 -15.311 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.257 -19.277 -14.016 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.072 -20.421 -17.489 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -9.009 -18.304 -15.436 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.820 -19.446 -18.912 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.795 -18.388 -17.888 1.00 0.00 H new ATOM 1402 N ASP A 92 -3.323 -23.385 -14.788 1.00 0.00 N ATOM 1403 CA ASP A 92 -2.080 -24.071 -14.454 1.00 0.00 C ATOM 1404 C ASP A 92 -0.879 -23.332 -15.036 1.00 0.00 C ATOM 1405 O ASP A 92 -0.956 -22.761 -16.125 1.00 0.00 O ATOM 1406 CB ASP A 92 -2.111 -25.509 -14.974 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.818 -26.251 -14.699 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -0.232 -26.041 -13.617 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -0.392 -27.043 -15.566 1.00 0.00 O ATOM 0 H ASP A 92 -3.651 -23.546 -15.740 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.983 -24.088 -13.368 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.939 -26.043 -14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.301 -25.500 -16.047 1.00 0.00 H new ATOM 1414 N LEU A 93 0.229 -23.346 -14.303 1.00 0.00 N ATOM 1415 CA LEU A 93 1.447 -22.676 -14.746 1.00 0.00 C ATOM 1416 C LEU A 93 2.056 -23.391 -15.947 1.00 0.00 C ATOM 1417 O LEU A 93 2.623 -24.477 -15.815 1.00 0.00 O ATOM 1418 CB LEU A 93 2.463 -22.616 -13.604 1.00 0.00 C ATOM 1419 CG LEU A 93 3.240 -23.904 -13.329 1.00 0.00 C ATOM 1420 CD1 LEU A 93 4.530 -23.932 -14.135 1.00 0.00 C ATOM 1421 CD2 LEU A 93 3.535 -24.043 -11.843 1.00 0.00 C ATOM 0 H LEU A 93 0.309 -23.814 -13.400 1.00 0.00 H new ATOM 0 HA LEU A 93 1.186 -21.661 -15.046 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.179 -21.823 -13.822 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.938 -22.330 -12.692 1.00 0.00 H new ATOM 0 HG LEU A 93 2.624 -24.749 -13.637 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.069 -24.856 -13.926 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.296 -23.881 -15.198 1.00 0.00 H new ATOM 0 HD13 LEU A 93 5.150 -23.079 -13.859 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.088 -24.965 -11.667 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.130 -23.193 -11.509 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.598 -24.070 -11.287 1.00 0.00 H new ATOM 1433 N LEU A 94 1.938 -22.775 -17.118 1.00 0.00 N ATOM 1434 CA LEU A 94 2.479 -23.352 -18.344 1.00 0.00 C ATOM 1435 C LEU A 94 3.382 -22.354 -19.063 1.00 0.00 C ATOM 1436 O LEU A 94 2.921 -21.318 -19.541 1.00 0.00 O ATOM 1437 CB LEU A 94 1.343 -23.788 -19.271 1.00 0.00 C ATOM 1438 CG LEU A 94 1.213 -25.293 -19.511 1.00 0.00 C ATOM 1439 CD1 LEU A 94 0.275 -25.568 -20.676 1.00 0.00 C ATOM 1440 CD2 LEU A 94 2.579 -25.912 -19.767 1.00 0.00 C ATOM 0 H LEU A 94 1.473 -21.876 -17.245 1.00 0.00 H new ATOM 0 HA LEU A 94 3.074 -24.224 -18.074 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.403 -23.424 -18.857 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.478 -23.297 -20.235 1.00 0.00 H new ATOM 0 HG LEU A 94 0.791 -25.749 -18.615 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.195 -26.644 -20.832 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.711 -25.159 -20.454 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.668 -25.099 -21.578 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.467 -26.983 -19.936 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.028 -25.451 -20.647 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.222 -25.746 -18.902 1.00 0.00 H new ATOM 1452 N ASN A 95 4.669 -22.676 -19.137 1.00 0.00 N ATOM 1453 CA ASN A 95 5.637 -21.808 -19.799 1.00 0.00 C ATOM 1454 C ASN A 95 5.638 -20.417 -19.173 1.00 0.00 C ATOM 1455 O ASN A 95 5.605 -19.408 -19.877 1.00 0.00 O ATOM 1456 CB ASN A 95 5.323 -21.707 -21.294 1.00 0.00 C ATOM 1457 CG ASN A 95 4.621 -22.943 -21.822 1.00 0.00 C ATOM 1458 OD1 ASN A 95 3.647 -22.846 -22.569 1.00 0.00 O ATOM 1459 ND2 ASN A 95 5.113 -24.114 -21.434 1.00 0.00 N ATOM 0 H ASN A 95 5.066 -23.531 -18.747 1.00 0.00 H new ATOM 0 HA ASN A 95 6.627 -22.245 -19.671 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.697 -20.833 -21.473 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.249 -21.554 -21.848 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.682 -24.980 -21.756 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.922 -24.147 -20.814 1.00 0.00 H new ATOM 1466 N GLY A 96 5.677 -20.372 -17.845 1.00 0.00 N ATOM 1467 CA GLY A 96 5.682 -19.100 -17.146 1.00 0.00 C ATOM 1468 C GLY A 96 4.364 -18.362 -17.275 1.00 0.00 C ATOM 1469 O GLY A 96 4.207 -17.263 -16.744 1.00 0.00 O ATOM 0 H GLY A 96 5.705 -21.193 -17.241 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.898 -19.270 -16.091 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.484 -18.476 -17.540 1.00 0.00 H new ATOM 1473 N GLU A 97 3.416 -18.966 -17.985 1.00 0.00 N ATOM 1474 CA GLU A 97 2.107 -18.357 -18.184 1.00 0.00 C ATOM 1475 C GLU A 97 0.993 -19.311 -17.762 1.00 0.00 C ATOM 1476 O GLU A 97 0.990 -20.483 -18.138 1.00 0.00 O ATOM 1477 CB GLU A 97 1.923 -17.957 -19.649 1.00 0.00 C ATOM 1478 CG GLU A 97 0.575 -17.320 -19.942 1.00 0.00 C ATOM 1479 CD GLU A 97 0.656 -16.248 -21.012 1.00 0.00 C ATOM 1480 OE1 GLU A 97 0.791 -16.605 -22.201 1.00 0.00 O ATOM 1481 OE2 GLU A 97 0.585 -15.052 -20.659 1.00 0.00 O ATOM 0 H GLU A 97 3.530 -19.876 -18.431 1.00 0.00 H new ATOM 0 HA GLU A 97 2.052 -17.464 -17.562 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.713 -17.260 -19.928 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.041 -18.841 -20.276 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.126 -18.092 -20.259 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.177 -16.884 -19.026 1.00 0.00 H new ATOM 1488 N TRP A 98 0.050 -18.800 -16.978 1.00 0.00 N ATOM 1489 CA TRP A 98 -1.069 -19.606 -16.504 1.00 0.00 C ATOM 1490 C TRP A 98 -2.117 -19.780 -17.598 1.00 0.00 C ATOM 1491 O TRP A 98 -2.646 -18.802 -18.126 1.00 0.00 O ATOM 1492 CB TRP A 98 -1.704 -18.961 -15.272 1.00 0.00 C ATOM 1493 CG TRP A 98 -0.699 -18.393 -14.315 1.00 0.00 C ATOM 1494 CD1 TRP A 98 -0.054 -17.195 -14.419 1.00 0.00 C ATOM 1495 CD2 TRP A 98 -0.224 -19.003 -13.109 1.00 0.00 C ATOM 1496 NE1 TRP A 98 0.794 -17.022 -13.351 1.00 0.00 N ATOM 1497 CE2 TRP A 98 0.707 -18.118 -12.533 1.00 0.00 C ATOM 1498 CE3 TRP A 98 -0.497 -20.210 -12.460 1.00 0.00 C ATOM 1499 CZ2 TRP A 98 1.366 -18.403 -11.341 1.00 0.00 C ATOM 1500 CZ3 TRP A 98 0.159 -20.493 -11.276 1.00 0.00 C ATOM 1501 CH2 TRP A 98 1.080 -19.592 -10.726 1.00 0.00 C ATOM 0 H TRP A 98 0.038 -17.832 -16.657 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.686 -20.590 -16.234 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -2.379 -18.167 -15.593 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -2.310 -19.704 -14.753 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -0.190 -16.486 -15.223 1.00 0.00 H new ATOM 0 HE1 TRP A 98 1.391 -16.210 -13.193 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -1.207 -20.909 -12.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.078 -17.711 -10.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.042 -21.424 -10.767 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.574 -19.840 -9.798 1.00 0.00 H new ATOM 1512 N VAL A 99 -2.413 -21.032 -17.935 1.00 0.00 N ATOM 1513 CA VAL A 99 -3.399 -21.334 -18.965 1.00 0.00 C ATOM 1514 C VAL A 99 -4.365 -22.418 -18.501 1.00 0.00 C ATOM 1515 O VAL A 99 -4.031 -23.235 -17.644 1.00 0.00 O ATOM 1516 CB VAL A 99 -2.723 -21.789 -20.273 1.00 0.00 C ATOM 1517 CG1 VAL A 99 -1.342 -21.165 -20.405 1.00 0.00 C ATOM 1518 CG2 VAL A 99 -2.640 -23.307 -20.328 1.00 0.00 C ATOM 0 H VAL A 99 -1.983 -21.853 -17.509 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.953 -20.414 -19.152 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.329 -21.451 -21.113 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.880 -21.498 -21.334 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.433 -20.079 -20.413 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.722 -21.471 -19.562 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.160 -23.612 -21.258 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.056 -23.670 -19.482 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.644 -23.728 -20.283 1.00 0.00 H new ATOM 1528 N SER A 100 -5.564 -22.419 -19.075 1.00 0.00 N ATOM 1529 CA SER A 100 -6.581 -23.402 -18.718 1.00 0.00 C ATOM 1530 C SER A 100 -6.775 -24.416 -19.841 1.00 0.00 C ATOM 1531 O SER A 100 -6.837 -24.053 -21.017 1.00 0.00 O ATOM 1532 CB SER A 100 -7.908 -22.705 -18.410 1.00 0.00 C ATOM 1533 OG SER A 100 -8.362 -23.026 -17.106 1.00 0.00 O ATOM 0 H SER A 100 -5.855 -21.751 -19.789 1.00 0.00 H new ATOM 0 HA SER A 100 -6.242 -23.932 -17.828 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.785 -21.626 -18.500 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.658 -23.003 -19.143 1.00 0.00 H new ATOM 0 HG SER A 100 -7.611 -22.981 -16.478 1.00 0.00 H new ATOM 1539 N LEU A 101 -6.870 -25.688 -19.471 1.00 0.00 N ATOM 1540 CA LEU A 101 -7.057 -26.757 -20.447 1.00 0.00 C ATOM 1541 C LEU A 101 -7.944 -26.294 -21.597 1.00 0.00 C ATOM 1542 O LEU A 101 -7.661 -26.571 -22.763 1.00 0.00 O ATOM 1543 CB LEU A 101 -7.672 -27.985 -19.775 1.00 0.00 C ATOM 1544 CG LEU A 101 -7.349 -29.334 -20.418 1.00 0.00 C ATOM 1545 CD1 LEU A 101 -7.576 -29.277 -21.921 1.00 0.00 C ATOM 1546 CD2 LEU A 101 -5.917 -29.744 -20.109 1.00 0.00 C ATOM 0 H LEU A 101 -6.821 -26.005 -18.503 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.080 -27.023 -20.851 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -7.340 -28.011 -18.737 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -8.755 -27.862 -19.760 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.019 -30.084 -19.998 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.341 -30.246 -22.361 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.618 -29.030 -22.122 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.931 -28.514 -22.358 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.706 -30.706 -20.575 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.231 -28.993 -20.500 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.787 -29.827 -19.030 1.00 0.00 H new ATOM 1558 N ARG A 102 -9.018 -25.587 -21.262 1.00 0.00 N ATOM 1559 CA ARG A 102 -9.947 -25.085 -22.268 1.00 0.00 C ATOM 1560 C ARG A 102 -9.204 -24.661 -23.531 1.00 0.00 C ATOM 1561 O ARG A 102 -8.741 -23.526 -23.639 1.00 0.00 O ATOM 1562 CB ARG A 102 -10.745 -23.904 -21.712 1.00 0.00 C ATOM 1563 CG ARG A 102 -11.665 -23.256 -22.733 1.00 0.00 C ATOM 1564 CD ARG A 102 -13.126 -23.402 -22.338 1.00 0.00 C ATOM 1565 NE ARG A 102 -13.448 -24.766 -21.926 1.00 0.00 N ATOM 1566 CZ ARG A 102 -14.689 -25.220 -21.794 1.00 0.00 C ATOM 1567 NH1 ARG A 102 -15.720 -24.424 -22.041 1.00 0.00 N ATOM 1568 NH2 ARG A 102 -14.901 -26.474 -21.415 1.00 0.00 N ATOM 0 H ARG A 102 -9.267 -25.349 -20.302 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.635 -25.891 -22.525 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.340 -24.245 -20.865 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.051 -23.154 -21.333 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.417 -22.199 -22.829 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -11.504 -23.711 -23.710 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -13.352 -22.714 -21.523 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.759 -23.118 -23.179 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.678 -25.405 -21.729 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.561 -23.460 -22.333 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -16.672 -24.776 -21.939 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.110 -27.090 -21.225 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.854 -26.822 -21.314 1.00 0.00 H new ATOM 1582 N ASN A 103 -9.094 -25.581 -24.484 1.00 0.00 N ATOM 1583 CA ASN A 103 -8.406 -25.303 -25.739 1.00 0.00 C ATOM 1584 C ASN A 103 -7.167 -24.444 -25.502 1.00 0.00 C ATOM 1585 O ASN A 103 -6.726 -23.714 -26.388 1.00 0.00 O ATOM 1586 CB ASN A 103 -9.349 -24.599 -26.716 1.00 0.00 C ATOM 1587 CG ASN A 103 -9.433 -25.310 -28.053 1.00 0.00 C ATOM 1588 OD1 ASN A 103 -8.417 -25.719 -28.616 1.00 0.00 O ATOM 1589 ND2 ASN A 103 -10.648 -25.459 -28.568 1.00 0.00 N ATOM 0 H ASN A 103 -9.473 -26.525 -24.411 1.00 0.00 H new ATOM 0 HA ASN A 103 -8.090 -26.253 -26.170 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.345 -24.539 -26.276 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.008 -23.576 -26.873 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -10.767 -25.929 -29.466 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.462 -25.104 -28.066 1.00 0.00 H new ATOM 1596 N GLY A 104 -6.610 -24.539 -24.299 1.00 0.00 N ATOM 1597 CA GLY A 104 -5.427 -23.766 -23.966 1.00 0.00 C ATOM 1598 C GLY A 104 -5.699 -22.275 -23.931 1.00 0.00 C ATOM 1599 O GLY A 104 -5.234 -21.530 -24.794 1.00 0.00 O ATOM 0 H GLY A 104 -6.956 -25.137 -23.549 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.049 -24.086 -22.995 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.645 -23.972 -24.696 1.00 0.00 H new ATOM 1603 N THR A 105 -6.457 -21.837 -22.930 1.00 0.00 N ATOM 1604 CA THR A 105 -6.794 -20.427 -22.788 1.00 0.00 C ATOM 1605 C THR A 105 -5.901 -19.750 -21.754 1.00 0.00 C ATOM 1606 O THR A 105 -5.341 -20.408 -20.876 1.00 0.00 O ATOM 1607 CB THR A 105 -8.267 -20.239 -22.378 1.00 0.00 C ATOM 1608 OG1 THR A 105 -8.676 -21.308 -21.518 1.00 0.00 O ATOM 1609 CG2 THR A 105 -9.168 -20.194 -23.603 1.00 0.00 C ATOM 0 H THR A 105 -6.849 -22.439 -22.206 1.00 0.00 H new ATOM 0 HA THR A 105 -6.634 -19.965 -23.762 1.00 0.00 H new ATOM 0 HB THR A 105 -8.355 -19.291 -21.847 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.470 -21.036 -21.013 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.203 -20.061 -23.289 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.873 -19.361 -24.242 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.075 -21.128 -24.158 1.00 0.00 H new ATOM 1617 N LYS A 106 -5.772 -18.432 -21.862 1.00 0.00 N ATOM 1618 CA LYS A 106 -4.948 -17.665 -20.935 1.00 0.00 C ATOM 1619 C LYS A 106 -5.815 -16.810 -20.016 1.00 0.00 C ATOM 1620 O LYS A 106 -6.939 -16.447 -20.367 1.00 0.00 O ATOM 1621 CB LYS A 106 -3.971 -16.775 -21.706 1.00 0.00 C ATOM 1622 CG LYS A 106 -2.555 -17.323 -21.751 1.00 0.00 C ATOM 1623 CD LYS A 106 -2.199 -17.833 -23.138 1.00 0.00 C ATOM 1624 CE LYS A 106 -1.655 -16.718 -24.018 1.00 0.00 C ATOM 1625 NZ LYS A 106 -0.470 -17.160 -24.804 1.00 0.00 N ATOM 0 H LYS A 106 -6.228 -17.872 -22.583 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.384 -18.368 -20.322 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.335 -16.648 -22.726 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.955 -15.786 -21.248 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -1.852 -16.543 -21.458 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -2.454 -18.132 -21.028 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.458 -18.628 -23.056 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -3.083 -18.268 -23.605 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -2.436 -16.379 -24.698 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.381 -15.866 -23.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.345 -16.534 -25.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.379 -17.119 -24.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.615 -18.136 -25.132 1.00 0.00 H new ATOM 1639 N LEU A 107 -5.287 -16.490 -18.840 1.00 0.00 N ATOM 1640 CA LEU A 107 -6.012 -15.675 -17.872 1.00 0.00 C ATOM 1641 C LEU A 107 -6.172 -14.244 -18.375 1.00 0.00 C ATOM 1642 O LEU A 107 -7.272 -13.816 -18.725 1.00 0.00 O ATOM 1643 CB LEU A 107 -5.283 -15.677 -16.527 1.00 0.00 C ATOM 1644 CG LEU A 107 -6.076 -15.145 -15.333 1.00 0.00 C ATOM 1645 CD1 LEU A 107 -6.926 -16.248 -14.722 1.00 0.00 C ATOM 1646 CD2 LEU A 107 -5.138 -14.553 -14.291 1.00 0.00 C ATOM 0 H LEU A 107 -4.359 -16.783 -18.534 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.004 -16.107 -17.741 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.973 -16.698 -16.306 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.375 -15.083 -16.628 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.740 -14.356 -15.685 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.483 -15.850 -13.874 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.624 -16.626 -15.469 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.281 -17.059 -14.384 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.720 -14.179 -13.448 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.448 -15.322 -13.943 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.573 -13.733 -14.734 1.00 0.00 H new ATOM 1658 N THR A 108 -5.065 -13.508 -18.411 1.00 0.00 N ATOM 1659 CA THR A 108 -5.082 -12.126 -18.872 1.00 0.00 C ATOM 1660 C THR A 108 -5.759 -12.008 -20.232 1.00 0.00 C ATOM 1661 O THR A 108 -6.275 -10.949 -20.590 1.00 0.00 O ATOM 1662 CB THR A 108 -3.657 -11.549 -18.969 1.00 0.00 C ATOM 1663 OG1 THR A 108 -3.702 -10.217 -19.493 1.00 0.00 O ATOM 1664 CG2 THR A 108 -2.780 -12.419 -19.858 1.00 0.00 C ATOM 0 H THR A 108 -4.146 -13.847 -18.126 1.00 0.00 H new ATOM 0 HA THR A 108 -5.649 -11.555 -18.137 1.00 0.00 H new ATOM 0 HB THR A 108 -3.228 -11.531 -17.967 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.792 -9.857 -19.550 1.00 0.00 H new ATOM 0 HG21 THR A 108 -1.779 -11.992 -19.911 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.724 -13.425 -19.441 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.209 -12.465 -20.859 1.00 0.00 H new ATOM 1672 N ASP A 109 -5.755 -13.102 -20.986 1.00 0.00 N ATOM 1673 CA ASP A 109 -6.372 -13.121 -22.308 1.00 0.00 C ATOM 1674 C ASP A 109 -7.893 -13.160 -22.197 1.00 0.00 C ATOM 1675 O ASP A 109 -8.595 -12.429 -22.897 1.00 0.00 O ATOM 1676 CB ASP A 109 -5.875 -14.326 -23.108 1.00 0.00 C ATOM 1677 CG ASP A 109 -5.297 -13.930 -24.452 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -6.075 -13.500 -25.329 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -4.067 -14.050 -24.627 1.00 0.00 O ATOM 0 H ASP A 109 -5.332 -13.987 -20.705 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.087 -12.207 -22.829 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.116 -14.854 -22.531 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.700 -15.022 -23.261 1.00 0.00 H new ATOM 1684 N ILE A 110 -8.395 -14.018 -21.316 1.00 0.00 N ATOM 1685 CA ILE A 110 -9.833 -14.152 -21.114 1.00 0.00 C ATOM 1686 C ILE A 110 -10.390 -12.969 -20.330 1.00 0.00 C ATOM 1687 O ILE A 110 -11.530 -12.553 -20.540 1.00 0.00 O ATOM 1688 CB ILE A 110 -10.178 -15.455 -20.370 1.00 0.00 C ATOM 1689 CG1 ILE A 110 -10.638 -16.527 -21.360 1.00 0.00 C ATOM 1690 CG2 ILE A 110 -11.250 -15.199 -19.321 1.00 0.00 C ATOM 1691 CD1 ILE A 110 -12.006 -16.259 -21.948 1.00 0.00 C ATOM 0 H ILE A 110 -7.828 -14.631 -20.730 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.290 -14.177 -22.103 1.00 0.00 H new ATOM 0 HB ILE A 110 -9.282 -15.815 -19.864 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.911 -16.599 -22.169 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.651 -17.494 -20.857 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.483 -16.130 -18.804 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.887 -14.465 -18.601 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.149 -14.818 -19.805 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -12.267 -17.059 -22.641 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -12.744 -16.217 -21.147 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -11.993 -15.308 -22.480 1.00 0.00 H new ATOM 1703 N LEU A 111 -9.579 -12.430 -19.427 1.00 0.00 N ATOM 1704 CA LEU A 111 -9.990 -11.292 -18.612 1.00 0.00 C ATOM 1705 C LEU A 111 -10.041 -10.015 -19.445 1.00 0.00 C ATOM 1706 O LEU A 111 -10.948 -9.196 -19.292 1.00 0.00 O ATOM 1707 CB LEU A 111 -9.029 -11.108 -17.436 1.00 0.00 C ATOM 1708 CG LEU A 111 -9.660 -10.662 -16.117 1.00 0.00 C ATOM 1709 CD1 LEU A 111 -9.964 -9.173 -16.147 1.00 0.00 C ATOM 1710 CD2 LEU A 111 -10.925 -11.461 -15.834 1.00 0.00 C ATOM 0 H LEU A 111 -8.633 -12.762 -19.240 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.990 -11.494 -18.229 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.509 -12.051 -17.266 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.274 -10.375 -17.721 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.948 -10.850 -15.314 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.413 -8.874 -15.200 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.040 -8.616 -16.303 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.658 -8.960 -16.960 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -11.361 -11.130 -14.891 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.642 -11.305 -16.640 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.679 -12.521 -15.768 1.00 0.00 H new ATOM 1722 N THR A 112 -9.062 -9.852 -20.330 1.00 0.00 N ATOM 1723 CA THR A 112 -8.996 -8.677 -21.189 1.00 0.00 C ATOM 1724 C THR A 112 -10.062 -8.730 -22.277 1.00 0.00 C ATOM 1725 O THR A 112 -10.684 -7.719 -22.599 1.00 0.00 O ATOM 1726 CB THR A 112 -7.611 -8.540 -21.849 1.00 0.00 C ATOM 1727 OG1 THR A 112 -6.662 -8.042 -20.898 1.00 0.00 O ATOM 1728 CG2 THR A 112 -7.672 -7.606 -23.048 1.00 0.00 C ATOM 0 H THR A 112 -8.304 -10.520 -20.470 1.00 0.00 H new ATOM 0 HA THR A 112 -9.174 -7.810 -20.552 1.00 0.00 H new ATOM 0 HB THR A 112 -7.298 -9.526 -22.192 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.218 -8.795 -20.454 1.00 0.00 H new ATOM 0 HG21 THR A 112 -6.682 -7.525 -23.497 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.373 -8.003 -23.783 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.005 -6.620 -22.724 1.00 0.00 H new ATOM 1736 N GLU A 113 -10.267 -9.917 -22.841 1.00 0.00 N ATOM 1737 CA GLU A 113 -11.258 -10.101 -23.894 1.00 0.00 C ATOM 1738 C GLU A 113 -12.673 -10.040 -23.326 1.00 0.00 C ATOM 1739 O GLU A 113 -13.583 -9.502 -23.956 1.00 0.00 O ATOM 1740 CB GLU A 113 -11.039 -11.438 -24.604 1.00 0.00 C ATOM 1741 CG GLU A 113 -9.731 -11.511 -25.374 1.00 0.00 C ATOM 1742 CD GLU A 113 -9.440 -12.903 -25.900 1.00 0.00 C ATOM 1743 OE1 GLU A 113 -8.936 -13.738 -25.120 1.00 0.00 O ATOM 1744 OE2 GLU A 113 -9.717 -13.158 -27.091 1.00 0.00 O ATOM 0 H GLU A 113 -9.760 -10.765 -22.586 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.139 -9.292 -24.615 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.062 -12.240 -23.866 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.866 -11.614 -25.292 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.766 -10.811 -26.209 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -8.914 -11.194 -24.726 1.00 0.00 H new ATOM 1751 N GLU A 114 -12.849 -10.597 -22.132 1.00 0.00 N ATOM 1752 CA GLU A 114 -14.153 -10.608 -21.479 1.00 0.00 C ATOM 1753 C GLU A 114 -14.574 -9.196 -21.081 1.00 0.00 C ATOM 1754 O GLU A 114 -15.668 -8.743 -21.418 1.00 0.00 O ATOM 1755 CB GLU A 114 -14.123 -11.511 -20.245 1.00 0.00 C ATOM 1756 CG GLU A 114 -14.276 -12.988 -20.567 1.00 0.00 C ATOM 1757 CD GLU A 114 -14.219 -13.864 -19.331 1.00 0.00 C ATOM 1758 OE1 GLU A 114 -13.631 -13.425 -18.320 1.00 0.00 O ATOM 1759 OE2 GLU A 114 -14.762 -14.988 -19.373 1.00 0.00 O ATOM 0 H GLU A 114 -12.106 -11.046 -21.597 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.883 -10.999 -22.188 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.182 -11.359 -19.717 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.922 -11.211 -19.566 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.226 -13.148 -21.078 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.488 -13.289 -21.258 1.00 0.00 H new ATOM 1766 N VAL A 115 -13.696 -8.505 -20.359 1.00 0.00 N ATOM 1767 CA VAL A 115 -13.975 -7.145 -19.914 1.00 0.00 C ATOM 1768 C VAL A 115 -14.127 -6.199 -21.100 1.00 0.00 C ATOM 1769 O VAL A 115 -14.893 -5.238 -21.045 1.00 0.00 O ATOM 1770 CB VAL A 115 -12.861 -6.618 -18.990 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -13.273 -5.298 -18.356 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -12.521 -7.648 -17.924 1.00 0.00 C ATOM 0 H VAL A 115 -12.786 -8.865 -20.070 1.00 0.00 H new ATOM 0 HA VAL A 115 -14.912 -7.179 -19.358 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.968 -6.442 -19.590 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -12.474 -4.941 -17.707 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -13.461 -4.562 -19.138 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.180 -5.444 -17.769 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -11.732 -7.259 -17.280 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.407 -7.858 -17.325 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -12.180 -8.567 -18.401 1.00 0.00 H new ATOM 1782 N GLU A 116 -13.392 -6.479 -22.172 1.00 0.00 N ATOM 1783 CA GLU A 116 -13.446 -5.652 -23.371 1.00 0.00 C ATOM 1784 C GLU A 116 -14.802 -5.778 -24.059 1.00 0.00 C ATOM 1785 O GLU A 116 -15.428 -4.777 -24.410 1.00 0.00 O ATOM 1786 CB GLU A 116 -12.331 -6.049 -24.342 1.00 0.00 C ATOM 1787 CG GLU A 116 -12.220 -5.133 -25.549 1.00 0.00 C ATOM 1788 CD GLU A 116 -11.342 -5.712 -26.642 1.00 0.00 C ATOM 1789 OE1 GLU A 116 -10.120 -5.837 -26.415 1.00 0.00 O ATOM 1790 OE2 GLU A 116 -11.876 -6.038 -27.722 1.00 0.00 O ATOM 0 H GLU A 116 -12.753 -7.272 -22.234 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.305 -4.614 -23.071 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.380 -6.051 -23.809 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.506 -7.069 -24.685 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -13.216 -4.944 -25.950 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.815 -4.171 -25.234 1.00 0.00 H new ATOM 1797 N LYS A 117 -15.251 -7.014 -24.248 1.00 0.00 N ATOM 1798 CA LYS A 117 -16.533 -7.273 -24.892 1.00 0.00 C ATOM 1799 C LYS A 117 -17.685 -7.061 -23.915 1.00 0.00 C ATOM 1800 O LYS A 117 -18.843 -6.959 -24.319 1.00 0.00 O ATOM 1801 CB LYS A 117 -16.572 -8.701 -25.441 1.00 0.00 C ATOM 1802 CG LYS A 117 -15.481 -8.991 -26.457 1.00 0.00 C ATOM 1803 CD LYS A 117 -15.233 -10.484 -26.598 1.00 0.00 C ATOM 1804 CE LYS A 117 -16.422 -11.189 -27.233 1.00 0.00 C ATOM 1805 NZ LYS A 117 -17.163 -12.024 -26.247 1.00 0.00 N ATOM 0 H LYS A 117 -14.745 -7.853 -23.964 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.646 -6.570 -25.717 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -16.481 -9.403 -24.612 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -17.543 -8.878 -25.903 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.763 -8.575 -27.424 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -14.559 -8.495 -26.154 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -14.343 -10.650 -27.205 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.034 -10.915 -25.617 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.097 -10.448 -27.662 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.076 -11.817 -28.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.966 -12.488 -26.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -16.526 -12.747 -25.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -17.515 -11.421 -25.477 1.00 0.00 H new ATOM 1819 N ALA A 118 -17.360 -6.995 -22.628 1.00 0.00 N ATOM 1820 CA ALA A 118 -18.367 -6.792 -21.595 1.00 0.00 C ATOM 1821 C ALA A 118 -18.642 -5.308 -21.380 1.00 0.00 C ATOM 1822 O ALA A 118 -19.759 -4.916 -21.041 1.00 0.00 O ATOM 1823 CB ALA A 118 -17.926 -7.443 -20.292 1.00 0.00 C ATOM 0 H ALA A 118 -16.406 -7.079 -22.276 1.00 0.00 H new ATOM 0 HA ALA A 118 -19.292 -7.262 -21.928 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -18.688 -7.283 -19.529 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.788 -8.513 -20.448 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -16.986 -7.000 -19.964 1.00 0.00 H new ATOM 1829 N ILE A 119 -17.616 -4.486 -21.578 1.00 0.00 N ATOM 1830 CA ILE A 119 -17.748 -3.045 -21.406 1.00 0.00 C ATOM 1831 C ILE A 119 -17.897 -2.342 -22.751 1.00 0.00 C ATOM 1832 O ILE A 119 -18.436 -1.238 -22.830 1.00 0.00 O ATOM 1833 CB ILE A 119 -16.536 -2.454 -20.662 1.00 0.00 C ATOM 1834 CG1 ILE A 119 -16.798 -2.428 -19.154 1.00 0.00 C ATOM 1835 CG2 ILE A 119 -16.231 -1.054 -21.175 1.00 0.00 C ATOM 1836 CD1 ILE A 119 -15.596 -2.008 -18.339 1.00 0.00 C ATOM 0 H ILE A 119 -16.685 -4.794 -21.858 1.00 0.00 H new ATOM 0 HA ILE A 119 -18.646 -2.879 -20.811 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.669 -3.087 -20.851 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -17.623 -1.745 -18.948 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -17.117 -3.419 -18.832 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.372 -0.649 -20.640 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -16.007 -1.098 -22.241 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.096 -0.411 -21.013 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -15.855 -2.012 -17.280 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.776 -2.704 -18.515 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -15.289 -1.004 -18.633 1.00 0.00 H new ATOM 1848 N SER A 120 -17.418 -2.990 -23.807 1.00 0.00 N ATOM 1849 CA SER A 120 -17.496 -2.427 -25.150 1.00 0.00 C ATOM 1850 C SER A 120 -18.676 -3.015 -25.918 1.00 0.00 C ATOM 1851 O SER A 120 -19.550 -2.287 -26.389 1.00 0.00 O ATOM 1852 CB SER A 120 -16.195 -2.689 -25.912 1.00 0.00 C ATOM 1853 OG SER A 120 -15.065 -2.423 -25.099 1.00 0.00 O ATOM 0 H SER A 120 -16.971 -3.906 -23.759 1.00 0.00 H new ATOM 0 HA SER A 120 -17.645 -1.351 -25.058 1.00 0.00 H new ATOM 0 HB2 SER A 120 -16.169 -3.726 -26.248 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.160 -2.064 -26.804 1.00 0.00 H new ATOM 0 HG SER A 120 -14.744 -3.259 -24.702 1.00 0.00 H new ATOM 1859 N LYS A 121 -18.694 -4.338 -26.041 1.00 0.00 N ATOM 1860 CA LYS A 121 -19.766 -5.026 -26.750 1.00 0.00 C ATOM 1861 C LYS A 121 -21.114 -4.763 -26.086 1.00 0.00 C ATOM 1862 O LYS A 121 -22.163 -5.101 -26.635 1.00 0.00 O ATOM 1863 CB LYS A 121 -19.492 -6.531 -26.793 1.00 0.00 C ATOM 1864 CG LYS A 121 -19.712 -7.150 -28.163 1.00 0.00 C ATOM 1865 CD LYS A 121 -18.413 -7.667 -28.757 1.00 0.00 C ATOM 1866 CE LYS A 121 -17.775 -6.640 -29.680 1.00 0.00 C ATOM 1867 NZ LYS A 121 -17.070 -7.284 -30.823 1.00 0.00 N ATOM 0 H LYS A 121 -17.978 -4.955 -25.659 1.00 0.00 H new ATOM 0 HA LYS A 121 -19.801 -4.639 -27.769 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -18.463 -6.714 -26.482 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -20.137 -7.030 -26.070 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -20.427 -7.968 -28.083 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -20.149 -6.409 -28.832 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -17.719 -7.918 -27.955 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -18.605 -8.586 -29.311 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -18.543 -5.966 -30.060 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -17.069 -6.032 -29.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -16.649 -6.551 -31.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -16.320 -7.907 -30.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -17.748 -7.844 -31.378 1.00 0.00 H new ATOM 1881 N SER A 122 -21.078 -4.158 -24.903 1.00 0.00 N ATOM 1882 CA SER A 122 -22.297 -3.852 -24.164 1.00 0.00 C ATOM 1883 C SER A 122 -23.165 -2.861 -24.934 1.00 0.00 C ATOM 1884 O SER A 122 -24.390 -2.974 -24.948 1.00 0.00 O ATOM 1885 CB SER A 122 -21.954 -3.283 -22.786 1.00 0.00 C ATOM 1886 OG SER A 122 -20.775 -2.498 -22.838 1.00 0.00 O ATOM 0 H SER A 122 -20.218 -3.870 -24.436 1.00 0.00 H new ATOM 0 HA SER A 122 -22.858 -4.778 -24.038 1.00 0.00 H new ATOM 0 HB2 SER A 122 -22.783 -2.676 -22.423 1.00 0.00 H new ATOM 0 HB3 SER A 122 -21.821 -4.098 -22.075 1.00 0.00 H new ATOM 0 HG SER A 122 -20.578 -2.145 -21.945 1.00 0.00 H new ATOM 1892 N GLN A 123 -22.520 -1.891 -25.573 1.00 0.00 N ATOM 1893 CA GLN A 123 -23.232 -0.880 -26.345 1.00 0.00 C ATOM 1894 C GLN A 123 -24.323 -0.223 -25.506 1.00 0.00 C ATOM 1895 O GLN A 123 -24.255 -0.216 -24.276 1.00 0.00 O ATOM 1896 CB GLN A 123 -23.845 -1.504 -27.600 1.00 0.00 C ATOM 1897 CG GLN A 123 -24.459 -0.486 -28.548 1.00 0.00 C ATOM 1898 CD GLN A 123 -23.873 -0.560 -29.944 1.00 0.00 C ATOM 1899 OE1 GLN A 123 -24.479 -1.126 -30.855 1.00 0.00 O ATOM 1900 NE2 GLN A 123 -22.688 0.012 -30.120 1.00 0.00 N ATOM 0 H GLN A 123 -21.506 -1.784 -25.571 1.00 0.00 H new ATOM 0 HA GLN A 123 -22.515 -0.114 -26.641 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -23.075 -2.064 -28.131 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -24.611 -2.220 -27.303 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -25.536 -0.648 -28.601 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -24.307 0.516 -28.147 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -22.221 0.470 -29.337 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -22.244 -0.007 -31.038 1.00 0.00 H new