USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 72 THR OG1 : rot 180:sc= 0.86 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.987 X(o=1.8,f=1.8) USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 57 GLN : amide:sc= -0.843 K(o=-0.84,f=-1.8) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.481 K(o=-0.5,f=-2.3) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.0235 K(o=-0.5,f=-2.3) USER MOD Single : A 17 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 19 ASN : amide:sc= -4.07! C(o=-4.1!,f=-7.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.075 X(o=-0.075,f=-0.075) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -154:sc= -0.409 (180deg=-3.06!) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.652) USER MOD Single : A 47 TYR OH : rot -159:sc= 0.706 USER MOD Single : A 48 CYS SG : rot -133:sc= -0.0758 USER MOD Single : A 51 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.5!) USER MOD Single : A 55 MET CE :methyl -118:sc= -3.69! (180deg=-10.3!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 68 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.047) USER MOD Single : A 70 THR OG1 : rot -45:sc= 0.775 USER MOD Single : A 78 MET CE :methyl -164:sc= -0.34 (180deg=-1.24) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -2.930 12.726 8.191 1.00 0.00 N ATOM 243 CA HIS A 17 -2.788 11.342 7.803 1.00 0.00 C ATOM 244 C HIS A 17 -4.126 10.783 7.357 1.00 0.00 C ATOM 245 O HIS A 17 -5.172 11.152 7.888 1.00 0.00 O ATOM 246 CB HIS A 17 -2.182 10.494 8.949 1.00 0.00 C ATOM 247 CG HIS A 17 -3.138 10.151 10.059 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.303 10.927 11.186 1.00 0.00 N ATOM 249 CD2 HIS A 17 -3.982 9.101 10.199 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.209 10.375 11.970 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.639 9.264 11.395 1.00 0.00 N ATOM 0 HA HIS A 17 -2.095 11.292 6.963 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.790 9.568 8.528 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.336 11.035 9.373 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.114 8.287 9.501 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.543 10.764 12.920 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.343 8.632 11.777 1.00 0.00 H new ATOM 260 N ILE A 18 -4.097 9.900 6.394 1.00 0.00 N ATOM 261 CA ILE A 18 -5.308 9.302 5.876 1.00 0.00 C ATOM 262 C ILE A 18 -5.234 7.799 5.939 1.00 0.00 C ATOM 263 O ILE A 18 -4.164 7.217 6.142 1.00 0.00 O ATOM 264 CB ILE A 18 -5.590 9.720 4.416 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.367 9.458 3.530 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.022 11.174 4.343 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.601 9.740 2.063 1.00 0.00 C ATOM 0 H ILE A 18 -3.241 9.574 5.946 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.121 9.664 6.506 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.412 9.111 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.538 10.073 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.063 8.418 3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.215 11.445 3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.930 11.314 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.231 11.809 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.690 9.531 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.407 9.106 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.875 10.787 1.933 1.00 0.00 H new ATOM 279 N ASN A 19 -6.364 7.166 5.776 1.00 0.00 N ATOM 280 CA ASN A 19 -6.433 5.728 5.774 1.00 0.00 C ATOM 281 C ASN A 19 -6.498 5.260 4.341 1.00 0.00 C ATOM 282 O ASN A 19 -7.215 5.830 3.534 1.00 0.00 O ATOM 283 CB ASN A 19 -7.669 5.230 6.543 1.00 0.00 C ATOM 284 CG ASN A 19 -8.223 6.259 7.520 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.801 6.348 8.670 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.177 7.035 7.064 1.00 0.00 N ATOM 0 H ASN A 19 -7.262 7.631 5.641 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.550 5.324 6.270 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.448 4.959 5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.408 4.324 7.089 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.594 7.741 7.671 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.502 6.932 6.103 1.00 0.00 H new ATOM 293 N LEU A 20 -5.743 4.253 4.012 1.00 0.00 N ATOM 294 CA LEU A 20 -5.715 3.722 2.666 1.00 0.00 C ATOM 295 C LEU A 20 -5.802 2.218 2.717 1.00 0.00 C ATOM 296 O LEU A 20 -5.026 1.564 3.410 1.00 0.00 O ATOM 297 CB LEU A 20 -4.441 4.158 1.950 1.00 0.00 C ATOM 298 CG LEU A 20 -4.309 5.660 1.703 1.00 0.00 C ATOM 299 CD1 LEU A 20 -2.955 5.982 1.116 1.00 0.00 C ATOM 300 CD2 LEU A 20 -5.417 6.148 0.783 1.00 0.00 C ATOM 0 H LEU A 20 -5.126 3.771 4.665 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.568 4.110 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.584 3.827 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.389 3.643 0.991 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.402 6.176 2.659 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.878 7.056 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.174 5.667 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.834 5.456 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.307 7.220 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.354 5.626 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.385 5.949 1.242 1.00 0.00 H new ATOM 312 N LYS A 21 -6.744 1.660 2.006 1.00 0.00 N ATOM 313 CA LYS A 21 -6.947 0.235 2.027 1.00 0.00 C ATOM 314 C LYS A 21 -6.485 -0.408 0.743 1.00 0.00 C ATOM 315 O LYS A 21 -6.699 0.114 -0.339 1.00 0.00 O ATOM 316 CB LYS A 21 -8.408 -0.076 2.298 1.00 0.00 C ATOM 317 CG LYS A 21 -8.778 -1.538 2.140 1.00 0.00 C ATOM 318 CD LYS A 21 -10.005 -1.868 2.954 1.00 0.00 C ATOM 319 CE LYS A 21 -11.169 -0.959 2.584 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.322 -1.128 3.499 1.00 0.00 N ATOM 0 H LYS A 21 -7.386 2.172 1.402 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.344 -0.185 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.652 0.240 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.024 0.517 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.962 -1.760 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.945 -2.166 2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.285 -2.908 2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.780 -1.763 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.838 0.079 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.484 -1.172 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.091 -0.490 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.655 -2.112 3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.030 -0.900 4.471 1.00 0.00 H new ATOM 334 N VAL A 22 -5.866 -1.555 0.865 1.00 0.00 N ATOM 335 CA VAL A 22 -5.344 -2.260 -0.280 1.00 0.00 C ATOM 336 C VAL A 22 -6.099 -3.557 -0.478 1.00 0.00 C ATOM 337 O VAL A 22 -6.166 -4.390 0.420 1.00 0.00 O ATOM 338 CB VAL A 22 -3.841 -2.564 -0.124 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.304 -3.220 -1.375 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.066 -1.294 0.190 1.00 0.00 C ATOM 0 H VAL A 22 -5.710 -2.025 1.756 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.474 -1.616 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.714 -3.254 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.242 -3.428 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.838 -4.153 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.445 -2.552 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.007 -1.531 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.198 -0.577 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.436 -0.862 1.120 1.00 0.00 H new ATOM 350 N ALA A 23 -6.650 -3.735 -1.657 1.00 0.00 N ATOM 351 CA ALA A 23 -7.439 -4.906 -1.964 1.00 0.00 C ATOM 352 C ALA A 23 -6.964 -5.554 -3.243 1.00 0.00 C ATOM 353 O ALA A 23 -6.895 -4.926 -4.295 1.00 0.00 O ATOM 354 CB ALA A 23 -8.913 -4.551 -2.064 1.00 0.00 C ATOM 0 H ALA A 23 -6.564 -3.074 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.312 -5.620 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.488 -5.447 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.253 -4.137 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.057 -3.813 -2.854 1.00 0.00 H new ATOM 360 N GLY A 24 -6.632 -6.807 -3.155 1.00 0.00 N ATOM 361 CA GLY A 24 -6.170 -7.520 -4.305 1.00 0.00 C ATOM 362 C GLY A 24 -7.266 -8.342 -4.911 1.00 0.00 C ATOM 363 O GLY A 24 -8.184 -8.768 -4.211 1.00 0.00 O ATOM 0 H GLY A 24 -6.673 -7.356 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.790 -6.815 -5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.339 -8.167 -4.025 1.00 0.00 H new ATOM 367 N GLN A 25 -7.187 -8.574 -6.211 1.00 0.00 N ATOM 368 CA GLN A 25 -8.188 -9.378 -6.910 1.00 0.00 C ATOM 369 C GLN A 25 -8.256 -10.809 -6.354 1.00 0.00 C ATOM 370 O GLN A 25 -9.250 -11.503 -6.512 1.00 0.00 O ATOM 371 CB GLN A 25 -7.930 -9.386 -8.439 1.00 0.00 C ATOM 372 CG GLN A 25 -6.459 -9.474 -8.814 1.00 0.00 C ATOM 373 CD GLN A 25 -5.807 -10.736 -8.315 1.00 0.00 C ATOM 374 OE1 GLN A 25 -6.341 -11.831 -8.461 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.700 -10.578 -7.642 1.00 0.00 N ATOM 0 H GLN A 25 -6.441 -8.218 -6.808 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.158 -8.913 -6.734 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.459 -10.229 -8.883 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.352 -8.480 -8.874 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.361 -9.424 -9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.932 -8.612 -8.406 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.290 -9.649 -7.545 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.245 -11.384 -7.213 1.00 0.00 H new ATOM 384 N ASP A 26 -7.187 -11.229 -5.674 1.00 0.00 N ATOM 385 CA ASP A 26 -7.098 -12.573 -5.101 1.00 0.00 C ATOM 386 C ASP A 26 -7.932 -12.666 -3.830 1.00 0.00 C ATOM 387 O ASP A 26 -8.146 -13.745 -3.275 1.00 0.00 O ATOM 388 CB ASP A 26 -5.633 -12.913 -4.802 1.00 0.00 C ATOM 389 CG ASP A 26 -5.444 -14.330 -4.296 1.00 0.00 C ATOM 390 OD1 ASP A 26 -5.355 -15.254 -5.129 1.00 0.00 O ATOM 391 OD2 ASP A 26 -5.377 -14.522 -3.065 1.00 0.00 O ATOM 0 H ASP A 26 -6.364 -10.651 -5.506 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.490 -13.291 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -5.042 -12.775 -5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.248 -12.214 -4.060 1.00 0.00 H new ATOM 396 N GLY A 27 -8.439 -11.533 -3.396 1.00 0.00 N ATOM 397 CA GLY A 27 -9.228 -11.486 -2.178 1.00 0.00 C ATOM 398 C GLY A 27 -8.453 -10.946 -1.004 1.00 0.00 C ATOM 399 O GLY A 27 -9.032 -10.568 0.015 1.00 0.00 O ATOM 0 H GLY A 27 -8.322 -10.634 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.108 -10.865 -2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.585 -12.488 -1.942 1.00 0.00 H new ATOM 403 N SER A 28 -7.141 -10.908 -1.133 1.00 0.00 N ATOM 404 CA SER A 28 -6.287 -10.396 -0.084 1.00 0.00 C ATOM 405 C SER A 28 -6.479 -8.895 0.065 1.00 0.00 C ATOM 406 O SER A 28 -6.205 -8.130 -0.857 1.00 0.00 O ATOM 407 CB SER A 28 -4.833 -10.709 -0.402 1.00 0.00 C ATOM 408 OG SER A 28 -4.632 -12.105 -0.563 1.00 0.00 O ATOM 0 H SER A 28 -6.642 -11.229 -1.962 1.00 0.00 H new ATOM 0 HA SER A 28 -6.556 -10.877 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.537 -10.189 -1.313 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.194 -10.337 0.399 1.00 0.00 H new ATOM 0 HG SER A 28 -3.690 -12.278 -0.768 1.00 0.00 H new ATOM 414 N VAL A 29 -6.957 -8.470 1.210 1.00 0.00 N ATOM 415 CA VAL A 29 -7.195 -7.064 1.441 1.00 0.00 C ATOM 416 C VAL A 29 -6.879 -6.673 2.890 1.00 0.00 C ATOM 417 O VAL A 29 -7.176 -7.415 3.827 1.00 0.00 O ATOM 418 CB VAL A 29 -8.654 -6.672 1.057 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.658 -7.598 1.701 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.956 -5.228 1.406 1.00 0.00 C ATOM 0 H VAL A 29 -7.189 -9.077 1.996 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.518 -6.505 0.796 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.740 -6.777 -0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.666 -7.298 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.475 -8.620 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.559 -7.545 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.982 -4.992 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.832 -5.079 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.272 -4.573 0.867 1.00 0.00 H new ATOM 430 N VAL A 30 -6.261 -5.504 3.056 1.00 0.00 N ATOM 431 CA VAL A 30 -5.851 -4.990 4.369 1.00 0.00 C ATOM 432 C VAL A 30 -5.985 -3.461 4.378 1.00 0.00 C ATOM 433 O VAL A 30 -5.876 -2.818 3.330 1.00 0.00 O ATOM 434 CB VAL A 30 -4.371 -5.370 4.719 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.009 -4.917 6.127 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.129 -6.864 4.579 1.00 0.00 C ATOM 0 H VAL A 30 -6.028 -4.882 2.282 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.501 -5.444 5.117 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.730 -4.851 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.977 -5.193 6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.118 -3.835 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.672 -5.398 6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.093 -7.090 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.792 -7.405 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.329 -7.170 3.552 1.00 0.00 H new ATOM 446 N GLN A 31 -6.231 -2.882 5.540 1.00 0.00 N ATOM 447 CA GLN A 31 -6.379 -1.440 5.661 1.00 0.00 C ATOM 448 C GLN A 31 -5.150 -0.841 6.349 1.00 0.00 C ATOM 449 O GLN A 31 -4.611 -1.416 7.294 1.00 0.00 O ATOM 450 CB GLN A 31 -7.661 -1.106 6.428 1.00 0.00 C ATOM 451 CG GLN A 31 -7.988 0.382 6.504 1.00 0.00 C ATOM 452 CD GLN A 31 -7.452 1.077 7.759 1.00 0.00 C ATOM 453 OE1 GLN A 31 -7.132 2.260 7.734 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.379 0.360 8.867 1.00 0.00 N ATOM 0 H GLN A 31 -6.333 -3.390 6.418 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.456 -1.002 4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.496 -1.624 5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.574 -1.497 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.579 0.878 5.624 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.070 0.508 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.652 -0.623 8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.049 0.789 9.732 1.00 0.00 H new ATOM 463 N PHE A 32 -4.702 0.310 5.868 1.00 0.00 N ATOM 464 CA PHE A 32 -3.504 0.960 6.398 1.00 0.00 C ATOM 465 C PHE A 32 -3.764 2.438 6.633 1.00 0.00 C ATOM 466 O PHE A 32 -4.754 2.985 6.170 1.00 0.00 O ATOM 467 CB PHE A 32 -2.325 0.806 5.420 1.00 0.00 C ATOM 468 CG PHE A 32 -2.064 -0.608 4.985 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.828 -1.179 3.988 1.00 0.00 C ATOM 470 CD2 PHE A 32 -1.059 -1.364 5.572 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.607 -2.467 3.581 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.832 -2.661 5.166 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.608 -3.213 4.169 1.00 0.00 C ATOM 0 H PHE A 32 -5.151 0.819 5.106 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.252 0.479 7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.518 1.416 4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.424 1.202 5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.612 -0.601 3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.450 -0.932 6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.215 -2.899 2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.048 -3.244 5.627 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.433 -4.230 3.849 1.00 0.00 H new ATOM 483 N LYS A 33 -2.871 3.086 7.348 1.00 0.00 N ATOM 484 CA LYS A 33 -2.993 4.504 7.639 1.00 0.00 C ATOM 485 C LYS A 33 -1.634 5.185 7.554 1.00 0.00 C ATOM 486 O LYS A 33 -0.738 4.912 8.355 1.00 0.00 O ATOM 487 CB LYS A 33 -3.603 4.706 9.025 1.00 0.00 C ATOM 488 CG LYS A 33 -5.109 4.795 9.006 1.00 0.00 C ATOM 489 CD LYS A 33 -5.706 4.765 10.397 1.00 0.00 C ATOM 490 CE LYS A 33 -5.646 3.377 11.006 1.00 0.00 C ATOM 491 NZ LYS A 33 -6.398 3.309 12.279 1.00 0.00 N ATOM 0 H LYS A 33 -2.040 2.649 7.745 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.651 4.956 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.303 3.881 9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.197 5.618 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.410 5.715 8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.512 3.967 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.171 5.466 11.037 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.743 5.099 10.355 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.054 2.652 10.302 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.606 3.100 11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.336 2.346 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.992 3.984 12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.395 3.549 12.106 1.00 0.00 H new ATOM 505 N ILE A 34 -1.473 6.074 6.588 1.00 0.00 N ATOM 506 CA ILE A 34 -0.205 6.768 6.393 1.00 0.00 C ATOM 507 C ILE A 34 -0.417 8.271 6.337 1.00 0.00 C ATOM 508 O ILE A 34 -1.548 8.754 6.344 1.00 0.00 O ATOM 509 CB ILE A 34 0.534 6.315 5.105 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.313 6.600 3.861 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.902 4.838 5.183 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.415 6.335 2.562 1.00 0.00 C ATOM 0 H ILE A 34 -2.203 6.334 5.925 1.00 0.00 H new ATOM 0 HA ILE A 34 0.418 6.509 7.249 1.00 0.00 H new ATOM 0 HB ILE A 34 1.456 6.890 5.025 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.213 5.986 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.636 7.641 3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.419 4.543 4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.555 4.670 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.004 4.243 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.244 6.558 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.301 6.968 2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.714 5.288 2.520 1.00 0.00 H new ATOM 524 N LYS A 35 0.666 9.011 6.270 1.00 0.00 N ATOM 525 CA LYS A 35 0.600 10.455 6.246 1.00 0.00 C ATOM 526 C LYS A 35 0.442 10.953 4.806 1.00 0.00 C ATOM 527 O LYS A 35 0.920 10.325 3.870 1.00 0.00 O ATOM 528 CB LYS A 35 1.870 11.031 6.885 1.00 0.00 C ATOM 529 CG LYS A 35 1.664 12.318 7.663 1.00 0.00 C ATOM 530 CD LYS A 35 1.722 13.558 6.785 1.00 0.00 C ATOM 531 CE LYS A 35 1.502 14.811 7.618 1.00 0.00 C ATOM 532 NZ LYS A 35 1.677 16.055 6.831 1.00 0.00 N ATOM 0 H LYS A 35 1.612 8.632 6.231 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.266 10.790 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.295 10.283 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.605 11.211 6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.698 12.281 8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.426 12.393 8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.689 13.612 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.963 13.495 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.497 14.791 8.040 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.200 14.814 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.516 16.879 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.644 16.091 6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.994 16.069 6.047 1.00 0.00 H new ATOM 546 N ARG A 36 -0.226 12.090 4.644 1.00 0.00 N ATOM 547 CA ARG A 36 -0.480 12.702 3.331 1.00 0.00 C ATOM 548 C ARG A 36 0.814 12.909 2.520 1.00 0.00 C ATOM 549 O ARG A 36 0.801 12.880 1.290 1.00 0.00 O ATOM 550 CB ARG A 36 -1.194 14.051 3.528 1.00 0.00 C ATOM 551 CG ARG A 36 -1.457 14.829 2.245 1.00 0.00 C ATOM 552 CD ARG A 36 -2.472 14.130 1.361 1.00 0.00 C ATOM 553 NE ARG A 36 -3.795 14.077 1.978 1.00 0.00 N ATOM 554 CZ ARG A 36 -4.878 13.575 1.383 1.00 0.00 C ATOM 555 NH1 ARG A 36 -4.797 13.098 0.146 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.037 13.556 2.027 1.00 0.00 N ATOM 0 H ARG A 36 -0.613 12.623 5.423 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.110 12.018 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.145 13.873 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.593 14.670 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.817 15.828 2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.523 14.954 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.539 14.650 0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.131 13.117 1.149 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.897 14.447 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.906 13.115 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.626 12.714 -0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.099 13.925 2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.866 13.172 1.573 1.00 0.00 H new ATOM 570 N HIS A 37 1.931 13.095 3.204 1.00 0.00 N ATOM 571 CA HIS A 37 3.196 13.348 2.530 1.00 0.00 C ATOM 572 C HIS A 37 4.088 12.102 2.571 1.00 0.00 C ATOM 573 O HIS A 37 5.202 12.091 2.046 1.00 0.00 O ATOM 574 CB HIS A 37 3.903 14.557 3.166 1.00 0.00 C ATOM 575 CG HIS A 37 5.102 15.043 2.404 1.00 0.00 C ATOM 576 ND1 HIS A 37 5.009 15.720 1.209 1.00 0.00 N ATOM 577 CD2 HIS A 37 6.422 14.944 2.672 1.00 0.00 C ATOM 578 CE1 HIS A 37 6.217 16.014 0.776 1.00 0.00 C ATOM 579 NE2 HIS A 37 7.095 15.556 1.646 1.00 0.00 N ATOM 0 H HIS A 37 1.989 13.076 4.222 1.00 0.00 H new ATOM 0 HA HIS A 37 2.996 13.580 1.484 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.188 15.375 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.213 14.292 4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.866 14.470 3.535 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.449 16.541 -0.137 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.108 15.643 1.569 1.00 0.00 H new ATOM 588 N THR A 38 3.587 11.053 3.188 1.00 0.00 N ATOM 589 CA THR A 38 4.304 9.804 3.288 1.00 0.00 C ATOM 590 C THR A 38 4.053 8.951 2.045 1.00 0.00 C ATOM 591 O THR A 38 2.917 8.819 1.604 1.00 0.00 O ATOM 592 CB THR A 38 3.872 9.034 4.559 1.00 0.00 C ATOM 593 OG1 THR A 38 4.416 9.670 5.724 1.00 0.00 O ATOM 594 CG2 THR A 38 4.319 7.585 4.509 1.00 0.00 C ATOM 0 H THR A 38 2.670 11.044 3.634 1.00 0.00 H new ATOM 0 HA THR A 38 5.370 10.020 3.358 1.00 0.00 H new ATOM 0 HB THR A 38 2.783 9.050 4.607 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.137 9.179 6.525 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.999 7.074 5.417 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.874 7.097 3.642 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.405 7.542 4.432 1.00 0.00 H new ATOM 602 N PRO A 39 5.117 8.374 1.457 1.00 0.00 N ATOM 603 CA PRO A 39 4.999 7.547 0.255 1.00 0.00 C ATOM 604 C PRO A 39 4.200 6.266 0.507 1.00 0.00 C ATOM 605 O PRO A 39 4.175 5.732 1.627 1.00 0.00 O ATOM 606 CB PRO A 39 6.453 7.214 -0.104 1.00 0.00 C ATOM 607 CG PRO A 39 7.210 7.388 1.168 1.00 0.00 C ATOM 608 CD PRO A 39 6.508 8.476 1.926 1.00 0.00 C ATOM 0 HA PRO A 39 4.463 8.065 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.544 6.196 -0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.830 7.877 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.226 6.461 1.742 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.247 7.658 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.581 8.327 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.934 9.456 1.710 1.00 0.00 H new ATOM 616 N LEU A 40 3.556 5.766 -0.538 1.00 0.00 N ATOM 617 CA LEU A 40 2.733 4.566 -0.452 1.00 0.00 C ATOM 618 C LEU A 40 3.559 3.333 -0.120 1.00 0.00 C ATOM 619 O LEU A 40 3.013 2.297 0.259 1.00 0.00 O ATOM 620 CB LEU A 40 1.954 4.343 -1.748 1.00 0.00 C ATOM 621 CG LEU A 40 1.012 5.476 -2.166 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.137 5.037 -3.315 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.159 5.934 -0.997 1.00 0.00 C ATOM 0 H LEU A 40 3.589 6.180 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 40 2.026 4.724 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.668 4.174 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.369 3.429 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 40 1.621 6.319 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.526 5.854 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.762 4.764 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.458 4.176 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.501 6.739 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.439 5.098 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.804 6.294 -0.195 1.00 0.00 H new ATOM 635 N SER A 41 4.877 3.442 -0.267 1.00 0.00 N ATOM 636 CA SER A 41 5.798 2.339 -0.014 1.00 0.00 C ATOM 637 C SER A 41 5.537 1.678 1.324 1.00 0.00 C ATOM 638 O SER A 41 5.618 0.457 1.445 1.00 0.00 O ATOM 639 CB SER A 41 7.237 2.847 -0.051 1.00 0.00 C ATOM 640 OG SER A 41 7.393 3.975 0.796 1.00 0.00 O ATOM 0 H SER A 41 5.337 4.302 -0.566 1.00 0.00 H new ATOM 0 HA SER A 41 5.639 1.596 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.916 2.054 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.508 3.113 -1.073 1.00 0.00 H new ATOM 0 HG SER A 41 8.322 4.285 0.760 1.00 0.00 H new ATOM 646 N LYS A 42 5.204 2.476 2.331 1.00 0.00 N ATOM 647 CA LYS A 42 4.968 1.953 3.662 1.00 0.00 C ATOM 648 C LYS A 42 3.888 0.881 3.639 1.00 0.00 C ATOM 649 O LYS A 42 4.114 -0.238 4.080 1.00 0.00 O ATOM 650 CB LYS A 42 4.571 3.076 4.623 1.00 0.00 C ATOM 651 CG LYS A 42 5.577 4.230 4.724 1.00 0.00 C ATOM 652 CD LYS A 42 6.946 3.774 5.230 1.00 0.00 C ATOM 653 CE LYS A 42 7.880 3.397 4.081 1.00 0.00 C ATOM 654 NZ LYS A 42 9.214 2.965 4.568 1.00 0.00 N ATOM 0 H LYS A 42 5.092 3.486 2.247 1.00 0.00 H new ATOM 0 HA LYS A 42 5.897 1.504 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.609 3.480 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.429 2.650 5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.692 4.694 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.182 4.994 5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.399 4.571 5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.822 2.918 5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.430 2.595 3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.997 4.251 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.816 2.718 3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.655 3.739 5.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.106 2.134 5.184 1.00 0.00 H new ATOM 668 N LEU A 43 2.724 1.205 3.090 1.00 0.00 N ATOM 669 CA LEU A 43 1.634 0.242 3.023 1.00 0.00 C ATOM 670 C LEU A 43 1.854 -0.775 1.921 1.00 0.00 C ATOM 671 O LEU A 43 1.471 -1.931 2.047 1.00 0.00 O ATOM 672 CB LEU A 43 0.260 0.936 2.874 1.00 0.00 C ATOM 673 CG LEU A 43 0.019 1.818 1.627 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.220 0.980 0.371 1.00 0.00 C ATOM 675 CD2 LEU A 43 -1.163 2.716 1.867 1.00 0.00 C ATOM 0 H LEU A 43 2.512 2.118 2.688 1.00 0.00 H new ATOM 0 HA LEU A 43 1.627 -0.294 3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.507 0.162 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.103 1.556 3.756 1.00 0.00 H new ATOM 0 HG LEU A 43 0.917 2.413 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.385 1.640 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.651 0.353 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.097 0.349 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.332 3.337 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.048 2.109 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.967 3.353 2.729 1.00 0.00 H new ATOM 687 N MET A 44 2.476 -0.340 0.831 1.00 0.00 N ATOM 688 CA MET A 44 2.680 -1.190 -0.326 1.00 0.00 C ATOM 689 C MET A 44 3.542 -2.386 0.024 1.00 0.00 C ATOM 690 O MET A 44 3.164 -3.533 -0.217 1.00 0.00 O ATOM 691 CB MET A 44 3.290 -0.389 -1.470 1.00 0.00 C ATOM 692 CG MET A 44 3.204 -1.093 -2.803 1.00 0.00 C ATOM 693 SD MET A 44 3.784 -0.088 -4.176 1.00 0.00 S ATOM 694 CE MET A 44 2.561 1.226 -4.175 1.00 0.00 C ATOM 0 H MET A 44 2.848 0.604 0.729 1.00 0.00 H new ATOM 0 HA MET A 44 1.711 -1.567 -0.652 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.783 0.573 -1.542 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.336 -0.182 -1.243 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.791 -2.011 -2.760 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.170 -1.384 -2.986 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.481 1.649 -5.176 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.594 0.823 -3.873 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.864 2.005 -3.475 1.00 0.00 H new ATOM 704 N LYS A 45 4.695 -2.129 0.598 1.00 0.00 N ATOM 705 CA LYS A 45 5.578 -3.194 1.008 1.00 0.00 C ATOM 706 C LYS A 45 4.985 -3.941 2.210 1.00 0.00 C ATOM 707 O LYS A 45 5.085 -5.141 2.302 1.00 0.00 O ATOM 708 CB LYS A 45 6.973 -2.647 1.346 1.00 0.00 C ATOM 709 CG LYS A 45 7.507 -1.636 0.332 1.00 0.00 C ATOM 710 CD LYS A 45 7.859 -2.289 -0.989 1.00 0.00 C ATOM 711 CE LYS A 45 9.243 -2.907 -0.956 1.00 0.00 C ATOM 712 NZ LYS A 45 10.300 -1.874 -0.811 1.00 0.00 N ATOM 0 H LYS A 45 5.043 -1.190 0.791 1.00 0.00 H new ATOM 0 HA LYS A 45 5.682 -3.894 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.939 -2.177 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.672 -3.481 1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.759 -0.860 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.390 -1.145 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.122 -3.058 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.810 -1.547 -1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.307 -3.613 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.411 -3.474 -1.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.201 -2.247 -1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.034 -1.027 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.406 -1.624 0.193 1.00 0.00 H new ATOM 726 N ALA A 46 4.325 -3.214 3.116 1.00 0.00 N ATOM 727 CA ALA A 46 3.729 -3.829 4.306 1.00 0.00 C ATOM 728 C ALA A 46 2.672 -4.851 3.921 1.00 0.00 C ATOM 729 O ALA A 46 2.637 -5.956 4.459 1.00 0.00 O ATOM 730 CB ALA A 46 3.129 -2.775 5.217 1.00 0.00 C ATOM 0 H ALA A 46 4.190 -2.205 3.049 1.00 0.00 H new ATOM 0 HA ALA A 46 4.525 -4.343 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.693 -3.256 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.908 -2.082 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.354 -2.228 4.680 1.00 0.00 H new ATOM 736 N TYR A 47 1.805 -4.478 2.981 1.00 0.00 N ATOM 737 CA TYR A 47 0.742 -5.352 2.503 1.00 0.00 C ATOM 738 C TYR A 47 1.297 -6.668 1.982 1.00 0.00 C ATOM 739 O TYR A 47 0.855 -7.734 2.395 1.00 0.00 O ATOM 740 CB TYR A 47 -0.092 -4.646 1.407 1.00 0.00 C ATOM 741 CG TYR A 47 -1.030 -5.568 0.629 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.579 -6.276 -0.488 1.00 0.00 C ATOM 743 CD2 TYR A 47 -2.358 -5.723 1.006 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.421 -7.111 -1.197 1.00 0.00 C ATOM 745 CE2 TYR A 47 -3.207 -6.555 0.300 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.733 -7.247 -0.799 1.00 0.00 C ATOM 747 OH TYR A 47 -3.573 -8.071 -1.507 1.00 0.00 O ATOM 0 H TYR A 47 1.822 -3.562 2.532 1.00 0.00 H new ATOM 0 HA TYR A 47 0.092 -5.575 3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.683 -3.856 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.588 -4.165 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.448 -6.168 -0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.733 -5.185 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.054 -7.653 -2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.237 -6.664 0.606 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.503 -7.815 -1.336 1.00 0.00 H new ATOM 757 N CYS A 48 2.278 -6.606 1.091 1.00 0.00 N ATOM 758 CA CYS A 48 2.825 -7.819 0.505 1.00 0.00 C ATOM 759 C CYS A 48 3.484 -8.688 1.572 1.00 0.00 C ATOM 760 O CYS A 48 3.406 -9.911 1.530 1.00 0.00 O ATOM 761 CB CYS A 48 3.811 -7.498 -0.629 1.00 0.00 C ATOM 762 SG CYS A 48 5.367 -6.761 -0.105 1.00 0.00 S ATOM 0 H CYS A 48 2.706 -5.740 0.763 1.00 0.00 H new ATOM 0 HA CYS A 48 1.997 -8.381 0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.028 -8.418 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.325 -6.821 -1.331 1.00 0.00 H new ATOM 0 HG CYS A 48 5.637 -5.736 -0.858 1.00 0.00 H new ATOM 768 N GLU A 49 4.103 -8.050 2.550 1.00 0.00 N ATOM 769 CA GLU A 49 4.763 -8.747 3.635 1.00 0.00 C ATOM 770 C GLU A 49 3.762 -9.509 4.506 1.00 0.00 C ATOM 771 O GLU A 49 3.985 -10.661 4.865 1.00 0.00 O ATOM 772 CB GLU A 49 5.559 -7.752 4.479 1.00 0.00 C ATOM 773 CG GLU A 49 6.662 -7.050 3.707 1.00 0.00 C ATOM 774 CD GLU A 49 7.794 -7.963 3.279 1.00 0.00 C ATOM 775 OE1 GLU A 49 7.524 -9.090 2.825 1.00 0.00 O ATOM 776 OE2 GLU A 49 8.968 -7.535 3.366 1.00 0.00 O ATOM 0 H GLU A 49 4.161 -7.034 2.612 1.00 0.00 H new ATOM 0 HA GLU A 49 5.444 -9.481 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.877 -7.004 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.998 -8.277 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.231 -6.583 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.069 -6.248 4.323 1.00 0.00 H new ATOM 783 N ARG A 50 2.641 -8.873 4.829 1.00 0.00 N ATOM 784 CA ARG A 50 1.636 -9.492 5.692 1.00 0.00 C ATOM 785 C ARG A 50 0.700 -10.418 4.915 1.00 0.00 C ATOM 786 O ARG A 50 0.063 -11.298 5.489 1.00 0.00 O ATOM 787 CB ARG A 50 0.830 -8.420 6.447 1.00 0.00 C ATOM 788 CG ARG A 50 0.257 -7.327 5.560 1.00 0.00 C ATOM 789 CD ARG A 50 -0.431 -6.244 6.375 1.00 0.00 C ATOM 790 NE ARG A 50 0.422 -5.728 7.455 1.00 0.00 N ATOM 791 CZ ARG A 50 -0.034 -5.092 8.548 1.00 0.00 C ATOM 792 NH1 ARG A 50 -1.339 -4.899 8.721 1.00 0.00 N ATOM 793 NH2 ARG A 50 0.819 -4.661 9.471 1.00 0.00 N ATOM 0 H ARG A 50 2.404 -7.934 4.509 1.00 0.00 H new ATOM 0 HA ARG A 50 2.171 -10.105 6.417 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.012 -8.905 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.472 -7.962 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.057 -6.883 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.455 -7.763 4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.715 -5.423 5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.351 -6.644 6.802 1.00 0.00 H new ATOM 0 HE ARG A 50 1.430 -5.862 7.369 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.001 -5.235 8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.677 -4.416 9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.820 -4.813 9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.472 -4.178 10.300 1.00 0.00 H new ATOM 807 N GLN A 51 0.610 -10.231 3.610 1.00 0.00 N ATOM 808 CA GLN A 51 -0.275 -11.056 2.793 1.00 0.00 C ATOM 809 C GLN A 51 0.470 -12.202 2.136 1.00 0.00 C ATOM 810 O GLN A 51 -0.136 -13.111 1.563 1.00 0.00 O ATOM 811 CB GLN A 51 -0.999 -10.213 1.742 1.00 0.00 C ATOM 812 CG GLN A 51 -1.960 -9.206 2.339 1.00 0.00 C ATOM 813 CD GLN A 51 -2.891 -9.840 3.347 1.00 0.00 C ATOM 814 OE1 GLN A 51 -3.980 -10.298 3.009 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.457 -9.879 4.590 1.00 0.00 N ATOM 0 H GLN A 51 1.132 -9.523 3.093 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.020 -11.486 3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.261 -9.686 1.138 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.547 -10.874 1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.395 -8.407 2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.546 -8.748 1.542 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.545 -9.486 4.824 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.032 -10.302 5.318 1.00 0.00 H new ATOM 824 N GLY A 52 1.784 -12.175 2.224 1.00 0.00 N ATOM 825 CA GLY A 52 2.582 -13.222 1.617 1.00 0.00 C ATOM 826 C GLY A 52 2.688 -13.057 0.113 1.00 0.00 C ATOM 827 O GLY A 52 2.625 -14.031 -0.647 1.00 0.00 O ATOM 0 H GLY A 52 2.317 -11.450 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.581 -13.216 2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.141 -14.192 1.845 1.00 0.00 H new ATOM 831 N LEU A 53 2.855 -11.827 -0.321 1.00 0.00 N ATOM 832 CA LEU A 53 2.981 -11.513 -1.732 1.00 0.00 C ATOM 833 C LEU A 53 4.342 -10.907 -2.009 1.00 0.00 C ATOM 834 O LEU A 53 4.993 -10.379 -1.114 1.00 0.00 O ATOM 835 CB LEU A 53 1.885 -10.531 -2.196 1.00 0.00 C ATOM 836 CG LEU A 53 0.516 -11.122 -2.591 1.00 0.00 C ATOM 837 CD1 LEU A 53 0.668 -12.276 -3.564 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.283 -11.539 -1.378 1.00 0.00 C ATOM 0 H LEU A 53 2.908 -11.014 0.293 1.00 0.00 H new ATOM 0 HA LEU A 53 2.866 -12.444 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.721 -9.809 -1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.271 -9.977 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.039 -10.331 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.316 -12.668 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.166 -11.926 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.264 -13.064 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.241 -11.950 -1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.269 -12.296 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.455 -10.672 -0.740 1.00 0.00 H new ATOM 850 N SER A 54 4.773 -10.985 -3.241 1.00 0.00 N ATOM 851 CA SER A 54 6.035 -10.417 -3.644 1.00 0.00 C ATOM 852 C SER A 54 5.819 -9.203 -4.527 1.00 0.00 C ATOM 853 O SER A 54 5.017 -9.236 -5.451 1.00 0.00 O ATOM 854 CB SER A 54 6.859 -11.457 -4.373 1.00 0.00 C ATOM 855 OG SER A 54 7.480 -12.353 -3.461 1.00 0.00 O ATOM 0 H SER A 54 4.260 -11.444 -3.994 1.00 0.00 H new ATOM 0 HA SER A 54 6.574 -10.098 -2.752 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.221 -12.015 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.620 -10.963 -4.977 1.00 0.00 H new ATOM 0 HG SER A 54 8.004 -13.015 -3.958 1.00 0.00 H new ATOM 861 N MET A 55 6.559 -8.135 -4.253 1.00 0.00 N ATOM 862 CA MET A 55 6.431 -6.871 -4.994 1.00 0.00 C ATOM 863 C MET A 55 6.693 -7.049 -6.503 1.00 0.00 C ATOM 864 O MET A 55 6.208 -6.279 -7.313 1.00 0.00 O ATOM 865 CB MET A 55 7.379 -5.810 -4.409 1.00 0.00 C ATOM 866 CG MET A 55 7.126 -5.502 -2.944 1.00 0.00 C ATOM 867 SD MET A 55 5.502 -4.778 -2.659 1.00 0.00 S ATOM 868 CE MET A 55 5.688 -3.190 -3.460 1.00 0.00 C ATOM 0 H MET A 55 7.264 -8.113 -3.516 1.00 0.00 H new ATOM 0 HA MET A 55 5.400 -6.534 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.408 -6.151 -4.526 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.280 -4.891 -4.986 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.218 -6.419 -2.363 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.893 -4.817 -2.583 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.569 -2.395 -2.724 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.679 -3.123 -3.910 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.930 -3.083 -4.235 1.00 0.00 H new ATOM 878 N ARG A 56 7.477 -8.065 -6.873 1.00 0.00 N ATOM 879 CA ARG A 56 7.766 -8.328 -8.295 1.00 0.00 C ATOM 880 C ARG A 56 6.669 -9.182 -8.931 1.00 0.00 C ATOM 881 O ARG A 56 6.460 -9.156 -10.144 1.00 0.00 O ATOM 882 CB ARG A 56 9.127 -9.014 -8.479 1.00 0.00 C ATOM 883 CG ARG A 56 10.278 -8.316 -7.776 1.00 0.00 C ATOM 884 CD ARG A 56 10.535 -8.930 -6.410 1.00 0.00 C ATOM 885 NE ARG A 56 11.103 -10.275 -6.520 1.00 0.00 N ATOM 886 CZ ARG A 56 11.645 -10.957 -5.509 1.00 0.00 C ATOM 887 NH1 ARG A 56 11.702 -10.425 -4.289 1.00 0.00 N ATOM 888 NH2 ARG A 56 12.132 -12.171 -5.725 1.00 0.00 N ATOM 0 H ARG A 56 7.920 -8.714 -6.222 1.00 0.00 H new ATOM 0 HA ARG A 56 7.798 -7.361 -8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.058 -10.037 -8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.350 -9.074 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.178 -8.388 -8.386 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.052 -7.256 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.216 -8.292 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.601 -8.974 -5.849 1.00 0.00 H new ATOM 0 HE ARG A 56 11.083 -10.723 -7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.330 -9.490 -4.122 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.118 -10.953 -3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.091 -12.578 -6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.548 -12.698 -4.957 1.00 0.00 H new ATOM 902 N GLN A 57 5.974 -9.950 -8.108 1.00 0.00 N ATOM 903 CA GLN A 57 4.908 -10.826 -8.578 1.00 0.00 C ATOM 904 C GLN A 57 3.580 -10.091 -8.600 1.00 0.00 C ATOM 905 O GLN A 57 2.633 -10.501 -9.272 1.00 0.00 O ATOM 906 CB GLN A 57 4.802 -12.072 -7.686 1.00 0.00 C ATOM 907 CG GLN A 57 5.741 -13.202 -8.070 1.00 0.00 C ATOM 908 CD GLN A 57 7.043 -13.142 -7.334 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.199 -13.746 -6.276 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.981 -12.413 -7.877 1.00 0.00 N ATOM 0 H GLN A 57 6.130 -9.986 -7.101 1.00 0.00 H new ATOM 0 HA GLN A 57 5.151 -11.139 -9.593 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.004 -11.783 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.777 -12.441 -7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.257 -14.157 -7.867 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.932 -13.163 -9.142 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.805 -11.929 -8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.889 -12.328 -7.420 1.00 0.00 H new ATOM 919 N ILE A 58 3.503 -9.001 -7.862 1.00 0.00 N ATOM 920 CA ILE A 58 2.274 -8.239 -7.768 1.00 0.00 C ATOM 921 C ILE A 58 2.478 -6.808 -8.238 1.00 0.00 C ATOM 922 O ILE A 58 3.590 -6.395 -8.544 1.00 0.00 O ATOM 923 CB ILE A 58 1.736 -8.217 -6.313 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.567 -7.258 -5.438 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.775 -9.623 -5.736 1.00 0.00 C ATOM 926 CD1 ILE A 58 2.011 -7.057 -4.040 1.00 0.00 C ATOM 0 H ILE A 58 4.279 -8.623 -7.318 1.00 0.00 H new ATOM 0 HA ILE A 58 1.546 -8.731 -8.413 1.00 0.00 H new ATOM 0 HB ILE A 58 0.706 -7.859 -6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.584 -7.642 -5.361 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.629 -6.290 -5.936 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.397 -9.607 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.154 -10.283 -6.342 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.802 -9.989 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.652 -6.369 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.005 -6.642 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.976 -8.015 -3.521 1.00 0.00 H new ATOM 938 N ARG A 59 1.396 -6.055 -8.305 1.00 0.00 N ATOM 939 CA ARG A 59 1.462 -4.658 -8.662 1.00 0.00 C ATOM 940 C ARG A 59 0.281 -3.920 -8.075 1.00 0.00 C ATOM 941 O ARG A 59 -0.847 -4.429 -8.058 1.00 0.00 O ATOM 942 CB ARG A 59 1.499 -4.457 -10.183 1.00 0.00 C ATOM 943 CG ARG A 59 1.781 -3.019 -10.603 1.00 0.00 C ATOM 944 CD ARG A 59 3.189 -2.597 -10.204 1.00 0.00 C ATOM 945 NE ARG A 59 3.409 -1.157 -10.371 1.00 0.00 N ATOM 946 CZ ARG A 59 4.257 -0.617 -11.253 1.00 0.00 C ATOM 947 NH1 ARG A 59 4.921 -1.388 -12.109 1.00 0.00 N ATOM 948 NH2 ARG A 59 4.427 0.695 -11.281 1.00 0.00 N ATOM 0 H ARG A 59 0.454 -6.396 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 59 2.388 -4.256 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.263 -5.107 -10.608 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.544 -4.769 -10.605 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.661 -2.922 -11.682 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.053 -2.352 -10.140 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.366 -2.871 -9.164 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.914 -3.145 -10.806 1.00 0.00 H new ATOM 0 HE ARG A 59 2.879 -0.523 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.785 -2.399 -12.096 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.566 -0.969 -12.779 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.912 1.290 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.073 1.111 -11.952 1.00 0.00 H new ATOM 962 N PHE A 60 0.542 -2.738 -7.572 1.00 0.00 N ATOM 963 CA PHE A 60 -0.482 -1.894 -7.004 1.00 0.00 C ATOM 964 C PHE A 60 -1.042 -0.964 -8.063 1.00 0.00 C ATOM 965 O PHE A 60 -0.297 -0.400 -8.872 1.00 0.00 O ATOM 966 CB PHE A 60 0.096 -1.073 -5.857 1.00 0.00 C ATOM 967 CG PHE A 60 0.183 -1.800 -4.550 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.823 -3.027 -4.455 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.369 -1.246 -3.411 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.904 -3.686 -3.243 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.292 -1.896 -2.204 1.00 0.00 C ATOM 972 CZ PHE A 60 0.342 -3.116 -2.115 1.00 0.00 C ATOM 0 H PHE A 60 1.477 -2.331 -7.545 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.285 -2.527 -6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.094 -0.735 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.516 -0.181 -5.722 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.262 -3.471 -5.336 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.867 -0.290 -3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.404 -4.641 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.729 -1.450 -1.323 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.400 -3.627 -1.165 1.00 0.00 H new ATOM 982 N ARG A 61 -2.341 -0.807 -8.073 1.00 0.00 N ATOM 983 CA ARG A 61 -2.992 0.065 -9.019 1.00 0.00 C ATOM 984 C ARG A 61 -4.068 0.895 -8.339 1.00 0.00 C ATOM 985 O ARG A 61 -4.852 0.393 -7.547 1.00 0.00 O ATOM 986 CB ARG A 61 -3.583 -0.750 -10.173 1.00 0.00 C ATOM 987 CG ARG A 61 -4.345 0.084 -11.185 1.00 0.00 C ATOM 988 CD ARG A 61 -4.766 -0.736 -12.385 1.00 0.00 C ATOM 989 NE ARG A 61 -3.616 -1.260 -13.133 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.543 -1.295 -14.466 1.00 0.00 C ATOM 991 NH1 ARG A 61 -4.488 -0.713 -15.203 1.00 0.00 N ATOM 992 NH2 ARG A 61 -2.512 -1.887 -15.058 1.00 0.00 N ATOM 0 H ARG A 61 -2.976 -1.278 -7.428 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.247 0.750 -9.425 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.777 -1.277 -10.684 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.251 -1.509 -9.765 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.227 0.514 -10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.722 0.916 -11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.390 -1.566 -12.054 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.377 -0.121 -13.046 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.823 -1.620 -12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.269 -0.239 -14.749 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.430 -0.741 -16.221 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.777 -2.314 -14.495 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.455 -1.914 -16.076 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.087 2.170 -8.640 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.069 3.074 -8.092 1.00 0.00 C ATOM 1008 C PHE A 62 -5.409 4.109 -9.136 1.00 0.00 C ATOM 1009 O PHE A 62 -4.547 4.501 -9.914 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.532 3.753 -6.826 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.540 4.628 -6.127 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.396 4.096 -5.181 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.623 5.981 -6.411 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.314 4.895 -4.534 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.540 6.785 -5.770 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.387 6.240 -4.829 1.00 0.00 C ATOM 0 H PHE A 62 -3.421 2.612 -9.273 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.964 2.516 -7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.189 2.986 -6.132 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.663 4.356 -7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.345 3.043 -4.946 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.959 6.412 -7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.976 4.468 -3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.595 7.838 -6.004 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.107 6.866 -4.323 1.00 0.00 H new ATOM 1026 N ASP A 63 -6.669 4.531 -9.183 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.129 5.539 -10.157 1.00 0.00 C ATOM 1028 C ASP A 63 -7.090 4.947 -11.553 1.00 0.00 C ATOM 1029 O ASP A 63 -6.999 5.652 -12.553 1.00 0.00 O ATOM 1030 CB ASP A 63 -6.237 6.792 -10.099 1.00 0.00 C ATOM 1031 CG ASP A 63 -6.865 8.007 -10.760 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -7.859 8.532 -10.220 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -6.366 8.445 -11.821 1.00 0.00 O ATOM 0 H ASP A 63 -7.400 4.193 -8.557 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.150 5.828 -9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.018 7.026 -9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.285 6.575 -10.583 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.168 3.635 -11.618 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.121 2.954 -12.884 1.00 0.00 C ATOM 1040 C GLY A 64 -5.705 2.822 -13.417 1.00 0.00 C ATOM 1041 O GLY A 64 -5.473 2.156 -14.423 1.00 0.00 O ATOM 0 H GLY A 64 -7.264 3.024 -10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.560 1.962 -12.777 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.730 3.496 -13.608 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.741 3.432 -12.733 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.355 3.387 -13.186 1.00 0.00 C ATOM 1047 C GLN A 65 -2.457 2.709 -12.154 1.00 0.00 C ATOM 1048 O GLN A 65 -2.670 2.840 -10.950 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.834 4.798 -13.471 1.00 0.00 C ATOM 1050 CG GLN A 65 -2.976 5.744 -12.296 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.007 6.895 -12.345 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -1.596 7.341 -13.416 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -1.621 7.373 -11.187 1.00 0.00 N ATOM 0 H GLN A 65 -4.892 3.958 -11.872 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.330 2.803 -14.106 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.783 4.738 -13.754 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.371 5.209 -14.325 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.994 6.134 -12.272 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.825 5.189 -11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.987 6.973 -10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.955 8.144 -11.150 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.453 1.950 -12.609 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.502 1.308 -11.713 1.00 0.00 C ATOM 1064 C PRO A 66 0.344 2.345 -10.971 1.00 0.00 C ATOM 1065 O PRO A 66 0.857 3.297 -11.566 1.00 0.00 O ATOM 1066 CB PRO A 66 0.370 0.456 -12.644 1.00 0.00 C ATOM 1067 CG PRO A 66 0.196 1.054 -13.996 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.181 1.650 -14.026 1.00 0.00 C ATOM 0 HA PRO A 66 -0.993 0.717 -10.940 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.415 0.479 -12.335 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.056 -0.588 -12.632 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.952 1.816 -14.183 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.308 0.297 -14.772 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.217 2.549 -14.641 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.912 0.953 -14.437 1.00 0.00 H new ATOM 1076 N ILE A 67 0.490 2.160 -9.679 1.00 0.00 N ATOM 1077 CA ILE A 67 1.234 3.094 -8.850 1.00 0.00 C ATOM 1078 C ILE A 67 2.570 2.508 -8.440 1.00 0.00 C ATOM 1079 O ILE A 67 2.932 1.392 -8.852 1.00 0.00 O ATOM 1080 CB ILE A 67 0.436 3.523 -7.599 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.128 2.295 -6.871 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.670 4.495 -7.985 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -0.948 2.624 -5.641 1.00 0.00 C ATOM 0 H ILE A 67 0.101 1.365 -9.171 1.00 0.00 H new ATOM 0 HA ILE A 67 1.408 3.984 -9.454 1.00 0.00 H new ATOM 0 HB ILE A 67 1.109 4.035 -6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.747 1.728 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.699 1.648 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.224 4.789 -7.093 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.232 5.379 -8.448 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.347 4.014 -8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.309 1.701 -5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.329 3.163 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.798 3.245 -5.925 1.00 0.00 H new ATOM 1095 N ASN A 68 3.308 3.246 -7.640 1.00 0.00 N ATOM 1096 CA ASN A 68 4.632 2.829 -7.228 1.00 0.00 C ATOM 1097 C ASN A 68 4.797 3.048 -5.764 1.00 0.00 C ATOM 1098 O ASN A 68 4.054 3.783 -5.147 1.00 0.00 O ATOM 1099 CB ASN A 68 5.718 3.630 -7.950 1.00 0.00 C ATOM 1100 CG ASN A 68 5.321 4.052 -9.330 1.00 0.00 C ATOM 1101 OD1 ASN A 68 5.567 3.351 -10.311 1.00 0.00 O ATOM 1102 ND2 ASN A 68 4.704 5.204 -9.417 1.00 0.00 N ATOM 0 H ASN A 68 3.011 4.145 -7.259 1.00 0.00 H new ATOM 0 HA ASN A 68 4.736 1.773 -7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.959 4.515 -7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.626 3.029 -8.008 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.405 5.555 -10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.522 5.750 -8.575 1.00 0.00 H new ATOM 1109 N GLU A 69 5.795 2.447 -5.200 1.00 0.00 N ATOM 1110 CA GLU A 69 6.055 2.621 -3.792 1.00 0.00 C ATOM 1111 C GLU A 69 6.656 4.006 -3.554 1.00 0.00 C ATOM 1112 O GLU A 69 6.776 4.470 -2.429 1.00 0.00 O ATOM 1113 CB GLU A 69 6.989 1.521 -3.290 1.00 0.00 C ATOM 1114 CG GLU A 69 8.376 1.568 -3.888 1.00 0.00 C ATOM 1115 CD GLU A 69 9.213 0.369 -3.500 1.00 0.00 C ATOM 1116 OE1 GLU A 69 9.524 0.211 -2.300 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.557 -0.433 -4.398 1.00 0.00 O ATOM 0 H GLU A 69 6.447 1.831 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 69 5.121 2.547 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.070 1.595 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.543 0.551 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.299 1.617 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.878 2.479 -3.562 1.00 0.00 H new ATOM 1124 N THR A 70 7.000 4.678 -4.637 1.00 0.00 N ATOM 1125 CA THR A 70 7.608 5.974 -4.553 1.00 0.00 C ATOM 1126 C THR A 70 6.609 7.098 -4.882 1.00 0.00 C ATOM 1127 O THR A 70 7.000 8.256 -5.032 1.00 0.00 O ATOM 1128 CB THR A 70 8.854 6.070 -5.473 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.541 7.314 -5.262 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.463 5.946 -6.938 1.00 0.00 C ATOM 0 H THR A 70 6.863 4.336 -5.588 1.00 0.00 H new ATOM 0 HA THR A 70 7.930 6.107 -3.520 1.00 0.00 H new ATOM 0 HB THR A 70 9.519 5.245 -5.218 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.890 8.046 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.355 6.017 -7.560 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.979 4.984 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.774 6.749 -7.200 1.00 0.00 H new ATOM 1138 N ASP A 71 5.317 6.779 -4.985 1.00 0.00 N ATOM 1139 CA ASP A 71 4.329 7.815 -5.245 1.00 0.00 C ATOM 1140 C ASP A 71 3.679 8.221 -3.923 1.00 0.00 C ATOM 1141 O ASP A 71 3.751 7.476 -2.933 1.00 0.00 O ATOM 1142 CB ASP A 71 3.272 7.369 -6.298 1.00 0.00 C ATOM 1143 CG ASP A 71 2.100 6.615 -5.736 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.181 7.263 -5.206 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.083 5.381 -5.869 1.00 0.00 O ATOM 0 H ASP A 71 4.942 5.835 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 71 4.831 8.680 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.902 8.253 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.764 6.744 -7.043 1.00 0.00 H new ATOM 1150 N THR A 72 3.089 9.403 -3.876 1.00 0.00 N ATOM 1151 CA THR A 72 2.500 9.890 -2.642 1.00 0.00 C ATOM 1152 C THR A 72 0.998 10.084 -2.778 1.00 0.00 C ATOM 1153 O THR A 72 0.507 10.453 -3.852 1.00 0.00 O ATOM 1154 CB THR A 72 3.150 11.221 -2.188 1.00 0.00 C ATOM 1155 OG1 THR A 72 2.864 12.262 -3.136 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.651 11.064 -2.068 1.00 0.00 C ATOM 0 H THR A 72 3.006 10.038 -4.670 1.00 0.00 H new ATOM 0 HA THR A 72 2.690 9.128 -1.886 1.00 0.00 H new ATOM 0 HB THR A 72 2.735 11.486 -1.216 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.279 13.099 -2.838 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.091 12.008 -1.748 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.878 10.291 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.066 10.780 -3.035 1.00 0.00 H new ATOM 1164 N PRO A 73 0.243 9.890 -1.672 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.220 10.018 -1.675 1.00 0.00 C ATOM 1166 C PRO A 73 -1.670 11.451 -1.946 1.00 0.00 C ATOM 1167 O PRO A 73 -2.842 11.717 -2.203 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.622 9.596 -0.256 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.406 9.831 0.568 1.00 0.00 C ATOM 1170 CD PRO A 73 0.758 9.537 -0.331 1.00 0.00 C ATOM 0 HA PRO A 73 -1.679 9.415 -2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.466 10.183 0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.925 8.549 -0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.371 10.859 0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.396 9.184 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.632 10.131 -0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.055 8.490 -0.276 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.737 12.376 -1.886 1.00 0.00 N ATOM 1179 CA ALA A 74 -1.029 13.771 -2.140 1.00 0.00 C ATOM 1180 C ALA A 74 -0.941 14.075 -3.626 1.00 0.00 C ATOM 1181 O ALA A 74 -1.623 14.960 -4.134 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.072 14.658 -1.360 1.00 0.00 C ATOM 0 H ALA A 74 0.239 12.185 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.047 13.977 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.302 15.705 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.179 14.460 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.952 14.446 -1.667 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.111 13.318 -4.328 1.00 0.00 N ATOM 1189 CA GLN A 75 0.088 13.516 -5.755 1.00 0.00 C ATOM 1190 C GLN A 75 -1.138 13.121 -6.551 1.00 0.00 C ATOM 1191 O GLN A 75 -1.688 13.917 -7.312 1.00 0.00 O ATOM 1192 CB GLN A 75 1.300 12.723 -6.234 1.00 0.00 C ATOM 1193 CG GLN A 75 2.593 13.485 -6.139 1.00 0.00 C ATOM 1194 CD GLN A 75 3.798 12.645 -6.507 1.00 0.00 C ATOM 1195 OE1 GLN A 75 4.208 12.596 -7.668 1.00 0.00 O ATOM 1196 NE2 GLN A 75 4.367 11.977 -5.527 1.00 0.00 N ATOM 0 H GLN A 75 0.438 12.557 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 75 0.264 14.579 -5.919 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.382 11.809 -5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.141 12.422 -7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.547 14.353 -6.796 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.714 13.860 -5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.995 12.046 -4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.180 11.390 -5.714 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.582 11.899 -6.367 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.736 11.403 -7.102 1.00 0.00 C ATOM 1207 C LEU A 76 -4.051 11.715 -6.370 1.00 0.00 C ATOM 1208 O LEU A 76 -5.119 11.235 -6.752 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.599 9.893 -7.408 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.878 8.896 -6.264 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.609 7.481 -6.736 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -2.041 9.199 -5.034 1.00 0.00 C ATOM 0 H LEU A 76 -1.168 11.228 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.768 11.929 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.274 9.656 -8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.585 9.715 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.927 8.997 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.808 6.782 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.258 7.250 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.567 7.392 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.268 8.474 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.983 9.138 -5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.271 10.203 -4.676 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.954 12.546 -5.322 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.114 12.969 -4.516 1.00 0.00 C ATOM 1226 C GLU A 77 -5.923 11.791 -3.984 1.00 0.00 C ATOM 1227 O GLU A 77 -7.088 11.585 -4.339 1.00 0.00 O ATOM 1228 CB GLU A 77 -6.000 13.962 -5.271 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.338 15.310 -5.490 1.00 0.00 C ATOM 1230 CD GLU A 77 -6.281 16.335 -6.065 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -7.052 16.938 -5.294 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -6.248 16.555 -7.292 1.00 0.00 O ATOM 0 H GLU A 77 -3.070 12.945 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.708 13.485 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.270 13.536 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.927 14.106 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.945 15.676 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.488 15.188 -6.161 1.00 0.00 H new ATOM 1239 N MET A 78 -5.287 11.009 -3.144 1.00 0.00 N ATOM 1240 CA MET A 78 -5.895 9.847 -2.529 1.00 0.00 C ATOM 1241 C MET A 78 -6.791 10.270 -1.381 1.00 0.00 C ATOM 1242 O MET A 78 -6.378 11.034 -0.511 1.00 0.00 O ATOM 1243 CB MET A 78 -4.796 8.935 -2.008 1.00 0.00 C ATOM 1244 CG MET A 78 -4.820 7.537 -2.569 1.00 0.00 C ATOM 1245 SD MET A 78 -3.266 6.682 -2.287 1.00 0.00 S ATOM 1246 CE MET A 78 -3.503 5.220 -3.277 1.00 0.00 C ATOM 0 H MET A 78 -4.319 11.162 -2.863 1.00 0.00 H new ATOM 0 HA MET A 78 -6.499 9.320 -3.268 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.830 9.386 -2.235 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.874 8.878 -0.922 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.633 6.975 -2.110 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.024 7.578 -3.639 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.770 4.465 -2.993 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.507 4.829 -3.114 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.377 5.470 -4.331 1.00 0.00 H new ATOM 1256 N GLU A 79 -8.016 9.798 -1.371 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.924 10.109 -0.323 1.00 0.00 C ATOM 1258 C GLU A 79 -8.817 9.047 0.771 1.00 0.00 C ATOM 1259 O GLU A 79 -8.343 7.935 0.520 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.335 10.169 -0.887 1.00 0.00 C ATOM 1261 CG GLU A 79 -11.315 10.807 0.042 1.00 0.00 C ATOM 1262 CD GLU A 79 -12.678 11.010 -0.579 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -12.749 11.470 -1.737 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -13.690 10.744 0.102 1.00 0.00 O ATOM 0 H GLU A 79 -8.399 9.189 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.681 11.078 0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.321 10.723 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.670 9.158 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.417 10.188 0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.924 11.771 0.367 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.228 9.376 1.985 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.161 8.416 3.075 1.00 0.00 C ATOM 1273 C ASP A 80 -10.175 7.312 2.871 1.00 0.00 C ATOM 1274 O ASP A 80 -11.246 7.534 2.296 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.376 9.079 4.447 1.00 0.00 C ATOM 1276 CG ASP A 80 -10.794 9.555 4.678 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -11.136 10.668 4.233 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -11.566 8.826 5.335 1.00 0.00 O ATOM 0 H ASP A 80 -9.607 10.288 2.239 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.157 7.992 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.109 8.369 5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.698 9.927 4.541 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.828 6.112 3.330 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.685 4.941 3.234 1.00 0.00 C ATOM 1285 C GLU A 81 -10.884 4.505 1.789 1.00 0.00 C ATOM 1286 O GLU A 81 -11.776 3.703 1.483 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.013 5.213 3.918 1.00 0.00 C ATOM 1288 CG GLU A 81 -11.855 5.563 5.382 1.00 0.00 C ATOM 1289 CD GLU A 81 -11.671 4.349 6.254 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -10.656 3.646 6.105 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -12.529 4.101 7.121 1.00 0.00 O ATOM 0 H GLU A 81 -8.933 5.927 3.783 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.192 4.115 3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.520 6.031 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.651 4.334 3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.997 6.225 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.733 6.115 5.716 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.042 5.013 0.892 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.118 4.628 -0.509 1.00 0.00 C ATOM 1300 C ASP A 82 -9.440 3.272 -0.682 1.00 0.00 C ATOM 1301 O ASP A 82 -8.731 2.805 0.221 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.461 5.678 -1.410 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.132 5.781 -2.771 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.508 4.732 -3.344 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.288 6.916 -3.277 1.00 0.00 O ATOM 0 H ASP A 82 -9.307 5.686 1.110 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.165 4.558 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.497 6.649 -0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.409 5.428 -1.545 1.00 0.00 H new ATOM 1310 N THR A 83 -9.629 2.634 -1.815 1.00 0.00 N ATOM 1311 CA THR A 83 -9.105 1.301 -2.004 1.00 0.00 C ATOM 1312 C THR A 83 -8.152 1.198 -3.201 1.00 0.00 C ATOM 1313 O THR A 83 -8.401 1.749 -4.276 1.00 0.00 O ATOM 1314 CB THR A 83 -10.255 0.289 -2.163 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.244 0.539 -1.152 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.747 -1.135 -2.020 1.00 0.00 C ATOM 0 H THR A 83 -10.138 3.013 -2.614 1.00 0.00 H new ATOM 0 HA THR A 83 -8.526 1.066 -1.111 1.00 0.00 H new ATOM 0 HB THR A 83 -10.688 0.406 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.980 -0.101 -1.249 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.578 -1.831 -2.136 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.998 -1.333 -2.787 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.300 -1.265 -1.034 1.00 0.00 H new ATOM 1324 N ILE A 84 -7.060 0.479 -2.996 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.069 0.236 -4.033 1.00 0.00 C ATOM 1326 C ILE A 84 -6.275 -1.159 -4.596 1.00 0.00 C ATOM 1327 O ILE A 84 -6.452 -2.112 -3.844 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.602 0.355 -3.500 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.270 1.790 -3.071 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.605 -0.119 -4.546 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.798 2.174 -1.705 1.00 0.00 C ATOM 0 H ILE A 84 -6.835 0.045 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.204 0.997 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.526 -0.287 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.187 1.916 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.676 2.480 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.593 -0.027 -4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.805 -1.162 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.702 0.491 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.518 3.204 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.884 2.084 -1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.373 1.511 -0.951 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.253 -1.283 -5.904 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.472 -2.569 -6.550 1.00 0.00 C ATOM 1345 C ASP A 85 -5.144 -3.260 -6.824 1.00 0.00 C ATOM 1346 O ASP A 85 -4.267 -2.711 -7.489 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.246 -2.391 -7.863 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.580 -1.700 -7.675 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.524 -2.339 -7.146 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.697 -0.509 -8.062 1.00 0.00 O ATOM 0 H ASP A 85 -6.086 -0.510 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.062 -3.190 -5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.639 -1.814 -8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.410 -3.368 -8.317 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.979 -4.453 -6.292 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.753 -5.211 -6.491 1.00 0.00 C ATOM 1357 C VAL A 86 -3.968 -6.392 -7.435 1.00 0.00 C ATOM 1358 O VAL A 86 -4.967 -7.117 -7.339 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.174 -5.709 -5.142 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.100 -6.761 -5.357 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.613 -4.543 -4.361 1.00 0.00 C ATOM 0 H VAL A 86 -5.678 -4.923 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.033 -4.534 -6.950 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.983 -6.168 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.714 -7.090 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.526 -7.613 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.288 -6.336 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.208 -4.900 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.821 -4.066 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.405 -3.820 -4.167 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.009 -6.609 -8.325 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.092 -7.678 -9.312 1.00 0.00 C ATOM 1373 C PHE A 87 -1.789 -8.470 -9.324 1.00 0.00 C ATOM 1374 O PHE A 87 -0.738 -7.962 -8.915 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.363 -7.104 -10.710 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.586 -6.232 -10.786 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.505 -4.883 -10.487 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.813 -6.761 -11.154 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.618 -4.079 -10.549 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.936 -5.957 -11.220 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.837 -4.614 -10.916 1.00 0.00 C ATOM 0 H PHE A 87 -2.156 -6.053 -8.384 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.916 -8.338 -9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.496 -6.525 -11.028 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.472 -7.928 -11.415 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.555 -4.457 -10.201 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.893 -7.812 -11.392 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.539 -3.029 -10.311 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.888 -6.378 -11.508 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.712 -3.983 -10.965 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.849 -9.721 -9.761 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.661 -10.560 -9.843 1.00 0.00 C ATOM 1393 C GLN A 88 -0.216 -10.749 -11.296 1.00 0.00 C ATOM 1394 O GLN A 88 -0.915 -11.364 -12.099 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.910 -11.934 -9.196 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.601 -12.013 -7.704 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.634 -11.328 -6.821 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.616 -11.938 -6.413 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.411 -10.066 -6.510 1.00 0.00 N ATOM 0 H GLN A 88 -2.709 -10.178 -10.065 1.00 0.00 H new ATOM 0 HA GLN A 88 0.133 -10.051 -9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.954 -12.207 -9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.306 -12.678 -9.716 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.528 -13.061 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.374 -11.562 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.583 -9.591 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.067 -9.565 -5.911 1.00 0.00 H new