USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 880 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 91 THR OG1 : rot -28:sc= 0.879 USER MOD Set 1.2: A 93 CYS SG : rot 82:sc= 0.74 USER MOD Set 2.1: A 60 GLN :FLIP amide:sc= 0 F(o=-2.9,f=-0.98) USER MOD Set 2.2: A 70 THR OG1 : rot -140:sc= -0.976 USER MOD Set 2.3: A 73 MET CE :methyl -127:sc= 0 (180deg=-2.04) USER MOD Set 3.1: A 45 GLN : amide:sc= -0.129 X(o=0.22,f=0.25) USER MOD Set 3.2: A 111 SER OG : rot -116:sc= 0.349 USER MOD Single : A 21 MET CE :methyl 141:sc= -1.22 (180deg=-2.56!) USER MOD Single : A 27 GLN : amide:sc= -0.22 K(o=-0.22,f=-0.83) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.391 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 76:sc= 1.11 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.81 K(o=-0.81,f=-1.7) USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -173:sc= -0.114 (180deg=-0.239) USER MOD Single : A 64 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.06) USER MOD Single : A 67 ASN : amide:sc= -0.995 K(o=-0.99,f=-4.5!) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.805 F(o=-2.8!,f=-0.81) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0.178 (180deg=0.171) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 40:sc= 0.492 USER MOD Single : A 88 GLN :FLIP amide:sc= -1.97! F(o=-2.6,f=-2!) USER MOD Single : A 97 THR OG1 : rot 178:sc= -0.0462 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -170:sc= -0.264 (180deg=-0.439) USER MOD Single : A 109 GLN :FLIP amide:sc= -0.322 F(o=-1,f=-0.32) USER MOD Single : A 113 LYS NZ :NH3+ 152:sc= 1.71 (180deg=0.639) USER MOD Single : A 114 GLN : amide:sc= -2.41 K(o=-2.4,f=-6.1!) USER MOD Single : A 115 ASN :FLIP amide:sc= -0.0924 F(o=-7.9!,f=-0.092) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 123 ASN : amide:sc=-0.000796 K(o=-0.0008,f=-0.64) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 74:sc= 0.735 USER MOD Single : A 131 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 135 THR OG1 : rot 81:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 286 N LEU A 20 -1.901 15.051 -7.235 1.00 23.24 N ATOM 287 CA LEU A 20 -1.303 13.966 -6.445 1.00 13.34 C ATOM 288 C LEU A 20 0.119 13.686 -6.972 1.00 13.14 C ATOM 289 O LEU A 20 0.296 13.010 -7.986 1.00 13.34 O ATOM 290 CB LEU A 20 -2.188 12.679 -6.542 1.00 12.31 C ATOM 291 CG LEU A 20 -1.601 11.397 -5.869 1.00 14.11 C ATOM 292 CD1 LEU A 20 -1.505 11.552 -4.341 1.00 24.41 C ATOM 293 CD2 LEU A 20 -2.398 10.131 -6.265 1.00 13.03 C ATOM 0 HA LEU A 20 -1.247 14.262 -5.397 1.00 13.34 H new ATOM 0 HB2 LEU A 20 -3.157 12.892 -6.090 1.00 12.31 H new ATOM 0 HB3 LEU A 20 -2.368 12.463 -7.595 1.00 12.31 H new ATOM 0 HG LEU A 20 -0.586 11.271 -6.244 1.00 14.11 H new ATOM 0 HD11 LEU A 20 -1.092 10.641 -3.908 1.00 24.41 H new ATOM 0 HD12 LEU A 20 -0.856 12.394 -4.101 1.00 24.41 H new ATOM 0 HD13 LEU A 20 -2.499 11.731 -3.930 1.00 24.41 H new ATOM 0 HD21 LEU A 20 -1.961 9.259 -5.778 1.00 13.03 H new ATOM 0 HD22 LEU A 20 -3.436 10.241 -5.950 1.00 13.03 H new ATOM 0 HD23 LEU A 20 -2.359 10.000 -7.346 1.00 13.03 H new ATOM 305 N MET A 21 1.126 14.275 -6.305 1.00 21.33 N ATOM 306 CA MET A 21 2.546 14.082 -6.643 1.00 65.13 C ATOM 307 C MET A 21 3.299 13.613 -5.393 1.00 43.31 C ATOM 308 O MET A 21 3.575 14.418 -4.497 1.00 61.14 O ATOM 309 CB MET A 21 3.126 15.394 -7.245 1.00 61.11 C ATOM 310 CG MET A 21 4.559 15.297 -7.806 1.00 73.52 C ATOM 311 SD MET A 21 5.850 15.462 -6.549 1.00 24.05 S ATOM 312 CE MET A 21 5.599 17.156 -5.999 1.00 1.23 C ATOM 0 H MET A 21 0.977 14.901 -5.513 1.00 21.33 H new ATOM 0 HA MET A 21 2.662 13.310 -7.403 1.00 65.13 H new ATOM 0 HB2 MET A 21 2.465 15.728 -8.044 1.00 61.11 H new ATOM 0 HB3 MET A 21 3.109 16.164 -6.474 1.00 61.11 H new ATOM 0 HG2 MET A 21 4.677 14.338 -8.311 1.00 73.52 H new ATOM 0 HG3 MET A 21 4.697 16.073 -8.559 1.00 73.52 H new ATOM 0 HE1 MET A 21 5.739 17.213 -4.919 1.00 1.23 H new ATOM 0 HE2 MET A 21 6.318 17.809 -6.493 1.00 1.23 H new ATOM 0 HE3 MET A 21 4.587 17.474 -6.251 1.00 1.23 H new ATOM 322 N LEU A 22 3.597 12.305 -5.331 1.00 41.41 N ATOM 323 CA LEU A 22 4.255 11.679 -4.170 1.00 72.35 C ATOM 324 C LEU A 22 5.733 12.097 -4.104 1.00 51.33 C ATOM 325 O LEU A 22 6.426 12.077 -5.116 1.00 42.11 O ATOM 326 CB LEU A 22 4.138 10.131 -4.270 1.00 52.03 C ATOM 327 CG LEU A 22 2.690 9.539 -4.290 1.00 40.51 C ATOM 328 CD1 LEU A 22 2.703 8.039 -4.660 1.00 65.41 C ATOM 329 CD2 LEU A 22 1.971 9.766 -2.939 1.00 4.31 C ATOM 0 H LEU A 22 3.389 11.650 -6.085 1.00 41.41 H new ATOM 0 HA LEU A 22 3.760 12.015 -3.259 1.00 72.35 H new ATOM 0 HB2 LEU A 22 4.651 9.808 -5.176 1.00 52.03 H new ATOM 0 HB3 LEU A 22 4.674 9.693 -3.427 1.00 52.03 H new ATOM 0 HG LEU A 22 2.131 10.070 -5.060 1.00 40.51 H new ATOM 0 HD11 LEU A 22 1.682 7.657 -4.665 1.00 65.41 H new ATOM 0 HD12 LEU A 22 3.143 7.912 -5.649 1.00 65.41 H new ATOM 0 HD13 LEU A 22 3.293 7.489 -3.927 1.00 65.41 H new ATOM 0 HD21 LEU A 22 0.967 9.343 -2.985 1.00 4.31 H new ATOM 0 HD22 LEU A 22 2.533 9.280 -2.142 1.00 4.31 H new ATOM 0 HD23 LEU A 22 1.905 10.835 -2.737 1.00 4.31 H new ATOM 409 N GLN A 27 10.842 7.878 6.189 1.00 63.13 N ATOM 410 CA GLN A 27 10.192 6.584 6.467 1.00 34.52 C ATOM 411 C GLN A 27 9.427 6.600 7.804 1.00 64.02 C ATOM 412 O GLN A 27 9.827 7.266 8.762 1.00 25.22 O ATOM 413 CB GLN A 27 11.227 5.422 6.474 1.00 11.53 C ATOM 414 CG GLN A 27 12.323 5.471 7.574 1.00 24.12 C ATOM 415 CD GLN A 27 13.391 6.556 7.381 1.00 14.25 C ATOM 416 OE1 GLN A 27 13.694 6.957 6.260 1.00 14.32 O ATOM 417 NE2 GLN A 27 13.979 7.033 8.473 1.00 43.33 N ATOM 0 HA GLN A 27 9.475 6.418 5.663 1.00 34.52 H new ATOM 0 HB2 GLN A 27 10.684 4.483 6.577 1.00 11.53 H new ATOM 0 HB3 GLN A 27 11.721 5.400 5.502 1.00 11.53 H new ATOM 0 HG2 GLN A 27 11.841 5.626 8.539 1.00 24.12 H new ATOM 0 HG3 GLN A 27 12.817 4.500 7.616 1.00 24.12 H new ATOM 0 HE21 GLN A 27 13.709 6.683 9.392 1.00 43.33 H new ATOM 0 HE22 GLN A 27 14.701 7.749 8.392 1.00 43.33 H new ATOM 426 N LEU A 28 8.320 5.871 7.841 1.00 33.55 N ATOM 427 CA LEU A 28 7.539 5.667 9.061 1.00 64.51 C ATOM 428 C LEU A 28 7.928 4.324 9.657 1.00 73.54 C ATOM 429 O LEU A 28 8.236 3.388 8.921 1.00 40.12 O ATOM 430 CB LEU A 28 6.025 5.692 8.748 1.00 63.23 C ATOM 431 CG LEU A 28 5.509 6.985 8.049 1.00 61.14 C ATOM 432 CD1 LEU A 28 4.022 6.848 7.696 1.00 63.21 C ATOM 433 CD2 LEU A 28 5.763 8.243 8.919 1.00 12.33 C ATOM 0 H LEU A 28 7.933 5.400 7.023 1.00 33.55 H new ATOM 0 HA LEU A 28 7.747 6.468 9.770 1.00 64.51 H new ATOM 0 HB2 LEU A 28 5.788 4.837 8.114 1.00 63.23 H new ATOM 0 HB3 LEU A 28 5.476 5.559 9.680 1.00 63.23 H new ATOM 0 HG LEU A 28 6.071 7.113 7.124 1.00 61.14 H new ATOM 0 HD11 LEU A 28 3.678 7.760 7.208 1.00 63.21 H new ATOM 0 HD12 LEU A 28 3.884 6.002 7.022 1.00 63.21 H new ATOM 0 HD13 LEU A 28 3.446 6.684 8.606 1.00 63.21 H new ATOM 0 HD21 LEU A 28 5.390 9.126 8.400 1.00 12.33 H new ATOM 0 HD22 LEU A 28 5.245 8.137 9.872 1.00 12.33 H new ATOM 0 HD23 LEU A 28 6.833 8.352 9.098 1.00 12.33 H new ATOM 445 N THR A 29 7.918 4.238 10.983 1.00 61.10 N ATOM 446 CA THR A 29 8.146 2.983 11.692 1.00 72.31 C ATOM 447 C THR A 29 6.872 2.136 11.608 1.00 41.03 C ATOM 448 O THR A 29 5.781 2.684 11.410 1.00 65.52 O ATOM 449 CB THR A 29 8.526 3.245 13.183 1.00 65.41 C ATOM 450 OG1 THR A 29 7.419 3.838 13.882 1.00 2.51 O ATOM 451 CG2 THR A 29 9.757 4.168 13.280 1.00 63.01 C ATOM 0 H THR A 29 7.752 5.036 11.597 1.00 61.10 H new ATOM 0 HA THR A 29 8.978 2.452 11.229 1.00 72.31 H new ATOM 0 HB THR A 29 8.770 2.288 13.644 1.00 65.41 H new ATOM 0 HG1 THR A 29 7.669 3.996 14.816 1.00 2.51 H new ATOM 0 HG21 THR A 29 10.004 4.337 14.328 1.00 63.01 H new ATOM 0 HG22 THR A 29 10.604 3.699 12.779 1.00 63.01 H new ATOM 0 HG23 THR A 29 9.535 5.122 12.801 1.00 63.01 H new ATOM 459 N ALA A 30 7.016 0.810 11.735 1.00 5.12 N ATOM 460 CA ALA A 30 5.869 -0.122 11.752 1.00 70.14 C ATOM 461 C ALA A 30 4.944 0.170 12.960 1.00 21.23 C ATOM 462 O ALA A 30 3.741 -0.086 12.906 1.00 40.25 O ATOM 463 CB ALA A 30 6.367 -1.576 11.748 1.00 25.53 C ATOM 0 H ALA A 30 7.922 0.351 11.829 1.00 5.12 H new ATOM 0 HA ALA A 30 5.276 0.028 10.850 1.00 70.14 H new ATOM 0 HB1 ALA A 30 5.513 -2.253 11.761 1.00 25.53 H new ATOM 0 HB2 ALA A 30 6.959 -1.755 10.851 1.00 25.53 H new ATOM 0 HB3 ALA A 30 6.983 -1.752 12.630 1.00 25.53 H new ATOM 469 N ASP A 31 5.548 0.701 14.037 1.00 4.41 N ATOM 470 CA ASP A 31 4.834 1.188 15.227 1.00 35.24 C ATOM 471 C ASP A 31 3.901 2.359 14.870 1.00 74.15 C ATOM 472 O ASP A 31 2.718 2.327 15.206 1.00 25.51 O ATOM 473 CB ASP A 31 5.849 1.650 16.306 1.00 21.25 C ATOM 474 CG ASP A 31 6.835 0.550 16.735 1.00 70.50 C ATOM 475 OD1 ASP A 31 7.804 0.288 15.992 1.00 41.21 O ATOM 476 OD2 ASP A 31 6.649 -0.058 17.810 1.00 55.33 O ATOM 0 H ASP A 31 6.560 0.805 14.105 1.00 4.41 H new ATOM 0 HA ASP A 31 4.232 0.367 15.617 1.00 35.24 H new ATOM 0 HB2 ASP A 31 6.412 2.501 15.923 1.00 21.25 H new ATOM 0 HB3 ASP A 31 5.302 1.998 17.182 1.00 21.25 H new ATOM 481 N TYR A 32 4.445 3.382 14.175 1.00 72.34 N ATOM 482 CA TYR A 32 3.665 4.579 13.780 1.00 40.44 C ATOM 483 C TYR A 32 2.579 4.176 12.790 1.00 20.42 C ATOM 484 O TYR A 32 1.456 4.648 12.890 1.00 42.13 O ATOM 485 CB TYR A 32 4.561 5.690 13.150 1.00 31.21 C ATOM 486 CG TYR A 32 3.775 6.963 12.734 1.00 13.32 C ATOM 487 CD1 TYR A 32 3.434 7.941 13.674 1.00 64.24 C ATOM 488 CD2 TYR A 32 3.330 7.153 11.419 1.00 52.22 C ATOM 489 CE1 TYR A 32 2.695 9.053 13.315 1.00 12.33 C ATOM 490 CE2 TYR A 32 2.583 8.258 11.063 1.00 44.33 C ATOM 491 CZ TYR A 32 2.269 9.204 12.012 1.00 21.33 C ATOM 492 OH TYR A 32 1.514 10.302 11.660 1.00 75.13 O ATOM 0 H TYR A 32 5.420 3.404 13.876 1.00 72.34 H new ATOM 0 HA TYR A 32 3.219 4.993 14.685 1.00 40.44 H new ATOM 0 HB2 TYR A 32 5.335 5.969 13.865 1.00 31.21 H new ATOM 0 HB3 TYR A 32 5.067 5.284 12.274 1.00 31.21 H new ATOM 0 HD1 TYR A 32 3.754 7.825 14.699 1.00 64.24 H new ATOM 0 HD2 TYR A 32 3.577 6.418 10.667 1.00 52.22 H new ATOM 0 HE1 TYR A 32 2.452 9.802 14.054 1.00 12.33 H new ATOM 0 HE2 TYR A 32 2.246 8.380 10.044 1.00 44.33 H new ATOM 0 HH TYR A 32 1.297 10.257 10.705 1.00 75.13 H new ATOM 502 N PHE A 33 2.949 3.309 11.828 1.00 22.22 N ATOM 503 CA PHE A 33 2.045 2.841 10.779 1.00 21.21 C ATOM 504 C PHE A 33 0.822 2.171 11.408 1.00 62.10 C ATOM 505 O PHE A 33 -0.290 2.566 11.115 1.00 24.40 O ATOM 506 CB PHE A 33 2.765 1.859 9.806 1.00 23.12 C ATOM 507 CG PHE A 33 1.943 1.479 8.549 1.00 64.24 C ATOM 508 CD1 PHE A 33 0.822 0.646 8.621 1.00 41.44 C ATOM 509 CD2 PHE A 33 2.293 1.976 7.301 1.00 34.42 C ATOM 510 CE1 PHE A 33 0.092 0.330 7.495 1.00 24.42 C ATOM 511 CE2 PHE A 33 1.569 1.652 6.182 1.00 73.35 C ATOM 512 CZ PHE A 33 0.468 0.833 6.273 1.00 10.22 C ATOM 0 H PHE A 33 3.888 2.917 11.763 1.00 22.22 H new ATOM 0 HA PHE A 33 1.721 3.704 10.197 1.00 21.21 H new ATOM 0 HB2 PHE A 33 3.705 2.308 9.487 1.00 23.12 H new ATOM 0 HB3 PHE A 33 3.015 0.948 10.350 1.00 23.12 H new ATOM 0 HD1 PHE A 33 0.522 0.243 9.577 1.00 41.44 H new ATOM 0 HD2 PHE A 33 3.149 2.628 7.210 1.00 34.42 H new ATOM 0 HE1 PHE A 33 -0.773 -0.311 7.573 1.00 24.42 H new ATOM 0 HE2 PHE A 33 1.866 2.044 5.220 1.00 73.35 H new ATOM 0 HZ PHE A 33 -0.099 0.586 5.387 1.00 10.22 H new ATOM 522 N GLU A 34 1.059 1.171 12.279 1.00 45.11 N ATOM 523 CA GLU A 34 -0.017 0.393 12.931 1.00 2.20 C ATOM 524 C GLU A 34 -0.909 1.309 13.792 1.00 75.33 C ATOM 525 O GLU A 34 -2.132 1.173 13.785 1.00 74.55 O ATOM 526 CB GLU A 34 0.567 -0.762 13.797 1.00 71.43 C ATOM 527 CG GLU A 34 -0.501 -1.707 14.400 1.00 1.35 C ATOM 528 CD GLU A 34 0.088 -2.812 15.301 1.00 51.01 C ATOM 529 OE1 GLU A 34 0.468 -3.882 14.778 1.00 73.51 O ATOM 530 OE2 GLU A 34 0.197 -2.609 16.531 1.00 14.21 O ATOM 0 H GLU A 34 1.998 0.879 12.551 1.00 45.11 H new ATOM 0 HA GLU A 34 -0.628 -0.049 12.144 1.00 2.20 H new ATOM 0 HB2 GLU A 34 1.251 -1.349 13.185 1.00 71.43 H new ATOM 0 HB3 GLU A 34 1.154 -0.331 14.608 1.00 71.43 H new ATOM 0 HG2 GLU A 34 -1.210 -1.117 14.980 1.00 1.35 H new ATOM 0 HG3 GLU A 34 -1.062 -2.172 13.589 1.00 1.35 H new ATOM 537 N LYS A 35 -0.274 2.262 14.491 1.00 11.44 N ATOM 538 CA LYS A 35 -0.978 3.236 15.351 1.00 14.02 C ATOM 539 C LYS A 35 -1.946 4.098 14.517 1.00 74.33 C ATOM 540 O LYS A 35 -3.141 4.179 14.812 1.00 52.22 O ATOM 541 CB LYS A 35 0.051 4.155 16.070 1.00 15.44 C ATOM 542 CG LYS A 35 -0.586 5.289 16.908 1.00 14.02 C ATOM 543 CD LYS A 35 0.442 6.330 17.398 1.00 3.32 C ATOM 544 CE LYS A 35 -0.243 7.525 18.082 1.00 2.12 C ATOM 545 NZ LYS A 35 0.721 8.569 18.497 1.00 2.11 N ATOM 0 H LYS A 35 0.739 2.382 14.479 1.00 11.44 H new ATOM 0 HA LYS A 35 -1.552 2.683 16.095 1.00 14.02 H new ATOM 0 HB2 LYS A 35 0.674 3.543 16.722 1.00 15.44 H new ATOM 0 HB3 LYS A 35 0.710 4.597 15.323 1.00 15.44 H new ATOM 0 HG2 LYS A 35 -1.346 5.792 16.310 1.00 14.02 H new ATOM 0 HG3 LYS A 35 -1.094 4.855 17.769 1.00 14.02 H new ATOM 0 HD2 LYS A 35 1.134 5.858 18.096 1.00 3.32 H new ATOM 0 HD3 LYS A 35 1.033 6.684 16.553 1.00 3.32 H new ATOM 0 HE2 LYS A 35 -0.974 7.960 17.400 1.00 2.12 H new ATOM 0 HE3 LYS A 35 -0.792 7.174 18.956 1.00 2.12 H new ATOM 0 HZ1 LYS A 35 0.210 9.352 18.952 1.00 2.11 H new ATOM 0 HZ2 LYS A 35 1.404 8.164 19.169 1.00 2.11 H new ATOM 0 HZ3 LYS A 35 1.227 8.926 17.662 1.00 2.11 H new ATOM 559 N THR A 36 -1.408 4.692 13.448 1.00 24.10 N ATOM 560 CA THR A 36 -2.145 5.605 12.564 1.00 71.21 C ATOM 561 C THR A 36 -3.217 4.831 11.766 1.00 1.03 C ATOM 562 O THR A 36 -4.299 5.348 11.507 1.00 44.33 O ATOM 563 CB THR A 36 -1.152 6.349 11.603 1.00 23.21 C ATOM 564 OG1 THR A 36 -0.077 6.912 12.369 1.00 0.45 O ATOM 565 CG2 THR A 36 -1.819 7.488 10.807 1.00 61.33 C ATOM 0 H THR A 36 -0.437 4.552 13.167 1.00 24.10 H new ATOM 0 HA THR A 36 -2.653 6.353 13.172 1.00 71.21 H new ATOM 0 HB THR A 36 -0.794 5.606 10.891 1.00 23.21 H new ATOM 0 HG1 THR A 36 0.549 6.203 12.624 1.00 0.45 H new ATOM 0 HG21 THR A 36 -1.080 7.962 10.162 1.00 61.33 H new ATOM 0 HG22 THR A 36 -2.626 7.082 10.197 1.00 61.33 H new ATOM 0 HG23 THR A 36 -2.224 8.227 11.499 1.00 61.33 H new ATOM 573 N TRP A 37 -2.897 3.571 11.436 1.00 75.21 N ATOM 574 CA TRP A 37 -3.797 2.643 10.733 1.00 4.22 C ATOM 575 C TRP A 37 -5.051 2.381 11.586 1.00 4.22 C ATOM 576 O TRP A 37 -6.180 2.504 11.105 1.00 14.42 O ATOM 577 CB TRP A 37 -3.041 1.319 10.425 1.00 53.23 C ATOM 578 CG TRP A 37 -3.837 0.295 9.646 1.00 24.45 C ATOM 579 CD1 TRP A 37 -4.570 -0.744 10.151 1.00 15.51 C ATOM 580 CD2 TRP A 37 -3.964 0.209 8.218 1.00 13.40 C ATOM 581 NE1 TRP A 37 -5.173 -1.432 9.136 1.00 43.35 N ATOM 582 CE2 TRP A 37 -4.809 -0.879 7.941 1.00 71.34 C ATOM 583 CE3 TRP A 37 -3.458 0.955 7.154 1.00 21.12 C ATOM 584 CZ2 TRP A 37 -5.151 -1.242 6.648 1.00 55.43 C ATOM 585 CZ3 TRP A 37 -3.798 0.593 5.867 1.00 45.54 C ATOM 586 CH2 TRP A 37 -4.639 -0.492 5.625 1.00 52.55 C ATOM 0 H TRP A 37 -1.989 3.160 11.654 1.00 75.21 H new ATOM 0 HA TRP A 37 -4.117 3.085 9.790 1.00 4.22 H new ATOM 0 HB2 TRP A 37 -2.136 1.556 9.865 1.00 53.23 H new ATOM 0 HB3 TRP A 37 -2.725 0.871 11.367 1.00 53.23 H new ATOM 0 HD1 TRP A 37 -4.659 -0.985 11.200 1.00 15.51 H new ATOM 0 HE1 TRP A 37 -5.796 -2.231 9.252 1.00 43.35 H new ATOM 0 HE3 TRP A 37 -2.811 1.801 7.334 1.00 21.12 H new ATOM 0 HZ2 TRP A 37 -5.797 -2.085 6.455 1.00 55.43 H new ATOM 0 HZ3 TRP A 37 -3.407 1.159 5.034 1.00 45.54 H new ATOM 0 HH2 TRP A 37 -4.892 -0.746 4.606 1.00 52.55 H new ATOM 597 N LEU A 38 -4.835 2.058 12.870 1.00 62.14 N ATOM 598 CA LEU A 38 -5.925 1.758 13.820 1.00 11.42 C ATOM 599 C LEU A 38 -6.675 3.038 14.242 1.00 63.44 C ATOM 600 O LEU A 38 -7.818 2.966 14.689 1.00 5.35 O ATOM 601 CB LEU A 38 -5.367 0.991 15.054 1.00 61.31 C ATOM 602 CG LEU A 38 -4.687 -0.387 14.745 1.00 53.32 C ATOM 603 CD1 LEU A 38 -4.231 -1.114 16.036 1.00 45.11 C ATOM 604 CD2 LEU A 38 -5.605 -1.286 13.881 1.00 74.32 C ATOM 0 H LEU A 38 -3.904 1.997 13.281 1.00 62.14 H new ATOM 0 HA LEU A 38 -6.649 1.117 13.318 1.00 11.42 H new ATOM 0 HB2 LEU A 38 -4.641 1.629 15.558 1.00 61.31 H new ATOM 0 HB3 LEU A 38 -6.185 0.823 15.755 1.00 61.31 H new ATOM 0 HG LEU A 38 -3.788 -0.178 14.166 1.00 53.32 H new ATOM 0 HD11 LEU A 38 -3.766 -2.064 15.774 1.00 45.11 H new ATOM 0 HD12 LEU A 38 -3.511 -0.492 16.569 1.00 45.11 H new ATOM 0 HD13 LEU A 38 -5.095 -1.298 16.675 1.00 45.11 H new ATOM 0 HD21 LEU A 38 -5.105 -2.234 13.684 1.00 74.32 H new ATOM 0 HD22 LEU A 38 -6.538 -1.472 14.413 1.00 74.32 H new ATOM 0 HD23 LEU A 38 -5.819 -0.786 12.937 1.00 74.32 H new ATOM 616 N SER A 39 -6.013 4.196 14.098 1.00 22.12 N ATOM 617 CA SER A 39 -6.607 5.512 14.391 1.00 63.34 C ATOM 618 C SER A 39 -7.461 6.026 13.208 1.00 63.54 C ATOM 619 O SER A 39 -8.314 6.906 13.389 1.00 62.25 O ATOM 620 CB SER A 39 -5.489 6.521 14.730 1.00 4.13 C ATOM 621 OG SER A 39 -6.018 7.785 15.090 1.00 73.41 O ATOM 0 H SER A 39 -5.047 4.248 13.774 1.00 22.12 H new ATOM 0 HA SER A 39 -7.271 5.405 15.249 1.00 63.34 H new ATOM 0 HB2 SER A 39 -4.884 6.133 15.549 1.00 4.13 H new ATOM 0 HB3 SER A 39 -4.828 6.634 13.871 1.00 4.13 H new ATOM 0 HG SER A 39 -5.284 8.399 15.300 1.00 73.41 H new ATOM 627 N LEU A 40 -7.230 5.476 12.002 1.00 65.52 N ATOM 628 CA LEU A 40 -7.931 5.899 10.770 1.00 45.21 C ATOM 629 C LEU A 40 -8.967 4.856 10.330 1.00 45.11 C ATOM 630 O LEU A 40 -8.918 3.695 10.750 1.00 71.24 O ATOM 631 CB LEU A 40 -6.905 6.126 9.632 1.00 40.31 C ATOM 632 CG LEU A 40 -6.012 7.391 9.740 1.00 5.53 C ATOM 633 CD1 LEU A 40 -4.849 7.329 8.728 1.00 13.34 C ATOM 634 CD2 LEU A 40 -6.857 8.672 9.554 1.00 45.33 C ATOM 0 H LEU A 40 -6.554 4.727 11.851 1.00 65.52 H new ATOM 0 HA LEU A 40 -8.455 6.830 10.984 1.00 45.21 H new ATOM 0 HB2 LEU A 40 -6.254 5.253 9.582 1.00 40.31 H new ATOM 0 HB3 LEU A 40 -7.448 6.173 8.688 1.00 40.31 H new ATOM 0 HG LEU A 40 -5.577 7.422 10.739 1.00 5.53 H new ATOM 0 HD11 LEU A 40 -4.237 8.226 8.822 1.00 13.34 H new ATOM 0 HD12 LEU A 40 -4.238 6.449 8.930 1.00 13.34 H new ATOM 0 HD13 LEU A 40 -5.250 7.268 7.716 1.00 13.34 H new ATOM 0 HD21 LEU A 40 -6.213 9.548 9.633 1.00 45.33 H new ATOM 0 HD22 LEU A 40 -7.329 8.657 8.572 1.00 45.33 H new ATOM 0 HD23 LEU A 40 -7.626 8.716 10.326 1.00 45.33 H new ATOM 646 N LYS A 41 -9.875 5.293 9.442 1.00 71.41 N ATOM 647 CA LYS A 41 -10.869 4.422 8.792 1.00 1.24 C ATOM 648 C LYS A 41 -10.374 4.065 7.380 1.00 4.01 C ATOM 649 O LYS A 41 -9.649 4.859 6.763 1.00 14.12 O ATOM 650 CB LYS A 41 -12.242 5.139 8.715 1.00 14.21 C ATOM 651 CG LYS A 41 -12.244 6.456 7.898 1.00 2.24 C ATOM 652 CD LYS A 41 -13.619 7.155 7.908 1.00 75.01 C ATOM 653 CE LYS A 41 -13.620 8.480 7.126 1.00 15.51 C ATOM 654 NZ LYS A 41 -14.940 9.157 7.201 1.00 24.21 N ATOM 0 H LYS A 41 -9.941 6.269 9.152 1.00 71.41 H new ATOM 0 HA LYS A 41 -10.993 3.510 9.376 1.00 1.24 H new ATOM 0 HB2 LYS A 41 -12.969 4.455 8.277 1.00 14.21 H new ATOM 0 HB3 LYS A 41 -12.580 5.356 9.728 1.00 14.21 H new ATOM 0 HG2 LYS A 41 -11.493 7.133 8.305 1.00 2.24 H new ATOM 0 HG3 LYS A 41 -11.956 6.242 6.869 1.00 2.24 H new ATOM 0 HD2 LYS A 41 -14.365 6.485 7.480 1.00 75.01 H new ATOM 0 HD3 LYS A 41 -13.917 7.347 8.939 1.00 75.01 H new ATOM 0 HE2 LYS A 41 -12.849 9.139 7.525 1.00 15.51 H new ATOM 0 HE3 LYS A 41 -13.367 8.288 6.083 1.00 15.51 H new ATOM 0 HZ1 LYS A 41 -14.905 10.046 6.663 1.00 24.21 H new ATOM 0 HZ2 LYS A 41 -15.671 8.537 6.798 1.00 24.21 H new ATOM 0 HZ3 LYS A 41 -15.169 9.362 8.195 1.00 24.21 H new ATOM 668 N VAL A 42 -10.749 2.873 6.882 1.00 72.34 N ATOM 669 CA VAL A 42 -10.435 2.451 5.500 1.00 63.01 C ATOM 670 C VAL A 42 -11.077 3.442 4.512 1.00 62.54 C ATOM 671 O VAL A 42 -12.274 3.717 4.610 1.00 74.22 O ATOM 672 CB VAL A 42 -10.942 0.987 5.207 1.00 74.23 C ATOM 673 CG1 VAL A 42 -10.604 0.554 3.763 1.00 23.11 C ATOM 674 CG2 VAL A 42 -10.357 -0.019 6.225 1.00 0.40 C ATOM 0 H VAL A 42 -11.272 2.180 7.417 1.00 72.34 H new ATOM 0 HA VAL A 42 -9.352 2.450 5.378 1.00 63.01 H new ATOM 0 HB VAL A 42 -12.027 0.990 5.314 1.00 74.23 H new ATOM 0 HG11 VAL A 42 -10.967 -0.460 3.593 1.00 23.11 H new ATOM 0 HG12 VAL A 42 -11.082 1.234 3.058 1.00 23.11 H new ATOM 0 HG13 VAL A 42 -9.524 0.582 3.618 1.00 23.11 H new ATOM 0 HG21 VAL A 42 -10.724 -1.020 5.999 1.00 0.40 H new ATOM 0 HG22 VAL A 42 -9.269 -0.008 6.163 1.00 0.40 H new ATOM 0 HG23 VAL A 42 -10.666 0.261 7.232 1.00 0.40 H new ATOM 684 N ALA A 43 -10.265 3.993 3.603 1.00 63.11 N ATOM 685 CA ALA A 43 -10.718 4.980 2.607 1.00 23.12 C ATOM 686 C ALA A 43 -11.317 4.252 1.390 1.00 21.00 C ATOM 687 O ALA A 43 -12.380 4.625 0.883 1.00 40.24 O ATOM 688 CB ALA A 43 -9.542 5.888 2.208 1.00 42.23 C ATOM 0 H ALA A 43 -9.272 3.769 3.534 1.00 63.11 H new ATOM 0 HA ALA A 43 -11.498 5.611 3.034 1.00 23.12 H new ATOM 0 HB1 ALA A 43 -9.879 6.617 1.471 1.00 42.23 H new ATOM 0 HB2 ALA A 43 -9.169 6.409 3.090 1.00 42.23 H new ATOM 0 HB3 ALA A 43 -8.744 5.282 1.780 1.00 42.23 H new ATOM 694 N HIS A 44 -10.611 3.208 0.950 1.00 73.41 N ATOM 695 CA HIS A 44 -11.071 2.270 -0.086 1.00 63.33 C ATOM 696 C HIS A 44 -10.376 0.924 0.136 1.00 44.25 C ATOM 697 O HIS A 44 -9.279 0.881 0.681 1.00 5.15 O ATOM 698 CB HIS A 44 -10.770 2.817 -1.510 1.00 52.22 C ATOM 699 CG HIS A 44 -11.258 1.943 -2.660 1.00 21.22 C ATOM 700 ND1 HIS A 44 -12.526 2.074 -3.172 1.00 62.11 N ATOM 701 CD2 HIS A 44 -10.606 0.973 -3.362 1.00 55.43 C ATOM 702 CE1 HIS A 44 -12.618 1.201 -4.160 1.00 4.44 C ATOM 703 NE2 HIS A 44 -11.481 0.510 -4.313 1.00 51.52 N ATOM 0 H HIS A 44 -9.683 2.983 1.309 1.00 73.41 H new ATOM 0 HA HIS A 44 -12.151 2.146 -0.011 1.00 63.33 H new ATOM 0 HB2 HIS A 44 -11.225 3.803 -1.606 1.00 52.22 H new ATOM 0 HB3 HIS A 44 -9.693 2.952 -1.609 1.00 52.22 H new ATOM 0 HD1 HIS A 44 -13.251 2.716 -2.853 1.00 62.11 H new ATOM 0 HD2 HIS A 44 -9.594 0.633 -3.201 1.00 55.43 H new ATOM 0 HE1 HIS A 44 -13.500 1.062 -4.768 1.00 4.44 H new ATOM 711 N GLN A 45 -11.011 -0.170 -0.296 1.00 51.55 N ATOM 712 CA GLN A 45 -10.457 -1.517 -0.163 1.00 42.42 C ATOM 713 C GLN A 45 -10.977 -2.372 -1.318 1.00 30.31 C ATOM 714 O GLN A 45 -12.189 -2.501 -1.503 1.00 22.45 O ATOM 715 CB GLN A 45 -10.835 -2.128 1.206 1.00 74.11 C ATOM 716 CG GLN A 45 -10.215 -3.505 1.487 1.00 53.42 C ATOM 717 CD GLN A 45 -10.619 -4.045 2.852 1.00 62.14 C ATOM 718 OE1 GLN A 45 -11.629 -4.730 2.986 1.00 22.34 O ATOM 719 NE2 GLN A 45 -9.860 -3.706 3.879 1.00 22.22 N ATOM 0 H GLN A 45 -11.925 -0.144 -0.748 1.00 51.55 H new ATOM 0 HA GLN A 45 -9.369 -1.479 -0.207 1.00 42.42 H new ATOM 0 HB2 GLN A 45 -10.529 -1.439 1.993 1.00 74.11 H new ATOM 0 HB3 GLN A 45 -11.920 -2.215 1.263 1.00 74.11 H new ATOM 0 HG2 GLN A 45 -10.525 -4.207 0.713 1.00 53.42 H new ATOM 0 HG3 GLN A 45 -9.129 -3.431 1.433 1.00 53.42 H new ATOM 0 HE21 GLN A 45 -9.027 -3.136 3.731 1.00 22.22 H new ATOM 0 HE22 GLN A 45 -10.107 -4.015 4.819 1.00 22.22 H new ATOM 728 N GLN A 46 -10.045 -2.951 -2.076 1.00 52.12 N ATOM 729 CA GLN A 46 -10.332 -3.669 -3.315 1.00 53.12 C ATOM 730 C GLN A 46 -9.448 -4.911 -3.383 1.00 33.03 C ATOM 731 O GLN A 46 -8.245 -4.837 -3.116 1.00 11.44 O ATOM 732 CB GLN A 46 -10.069 -2.736 -4.528 1.00 52.34 C ATOM 733 CG GLN A 46 -10.445 -3.333 -5.895 1.00 13.21 C ATOM 734 CD GLN A 46 -10.259 -2.350 -7.054 1.00 32.51 C ATOM 735 OE1 GLN A 46 -9.095 -2.365 -7.682 1.00 1.32 O flip ATOM 736 NE2 GLN A 46 -11.165 -1.584 -7.384 1.00 15.53 N flip ATOM 0 H GLN A 46 -9.053 -2.933 -1.841 1.00 52.12 H new ATOM 0 HA GLN A 46 -11.377 -3.977 -3.340 1.00 53.12 H new ATOM 0 HB2 GLN A 46 -10.628 -1.811 -4.385 1.00 52.34 H new ATOM 0 HB3 GLN A 46 -9.012 -2.470 -4.542 1.00 52.34 H new ATOM 0 HG2 GLN A 46 -9.837 -4.219 -6.077 1.00 13.21 H new ATOM 0 HG3 GLN A 46 -11.484 -3.660 -5.868 1.00 13.21 H new ATOM 0 HE21 GLN A 46 -12.052 -1.596 -6.880 1.00 15.53 H new ATOM 0 HE22 GLN A 46 -11.029 -0.938 -8.161 1.00 15.53 H new ATOM 745 N VAL A 47 -10.047 -6.048 -3.739 1.00 50.42 N ATOM 746 CA VAL A 47 -9.329 -7.311 -3.883 1.00 20.24 C ATOM 747 C VAL A 47 -8.916 -7.457 -5.348 1.00 73.34 C ATOM 748 O VAL A 47 -9.759 -7.411 -6.247 1.00 52.12 O ATOM 749 CB VAL A 47 -10.209 -8.542 -3.438 1.00 44.33 C ATOM 750 CG1 VAL A 47 -9.434 -9.883 -3.571 1.00 72.21 C ATOM 751 CG2 VAL A 47 -10.738 -8.332 -1.997 1.00 33.41 C ATOM 0 H VAL A 47 -11.045 -6.117 -3.936 1.00 50.42 H new ATOM 0 HA VAL A 47 -8.453 -7.299 -3.234 1.00 20.24 H new ATOM 0 HB VAL A 47 -11.064 -8.606 -4.111 1.00 44.33 H new ATOM 0 HG11 VAL A 47 -10.075 -10.706 -3.255 1.00 72.21 H new ATOM 0 HG12 VAL A 47 -9.139 -10.031 -4.610 1.00 72.21 H new ATOM 0 HG13 VAL A 47 -8.544 -9.853 -2.942 1.00 72.21 H new ATOM 0 HG21 VAL A 47 -11.344 -9.189 -1.703 1.00 33.41 H new ATOM 0 HG22 VAL A 47 -9.896 -8.230 -1.312 1.00 33.41 H new ATOM 0 HG23 VAL A 47 -11.347 -7.428 -1.961 1.00 33.41 H new ATOM 761 N LEU A 48 -7.614 -7.617 -5.570 1.00 22.34 N ATOM 762 CA LEU A 48 -7.039 -7.834 -6.892 1.00 33.32 C ATOM 763 C LEU A 48 -6.629 -9.309 -6.994 1.00 53.32 C ATOM 764 O LEU A 48 -6.412 -9.963 -5.966 1.00 55.23 O ATOM 765 CB LEU A 48 -5.804 -6.903 -7.143 1.00 33.02 C ATOM 766 CG LEU A 48 -6.127 -5.429 -7.561 1.00 54.35 C ATOM 767 CD1 LEU A 48 -6.665 -4.574 -6.392 1.00 61.31 C ATOM 768 CD2 LEU A 48 -4.909 -4.775 -8.248 1.00 55.21 C ATOM 0 H LEU A 48 -6.919 -7.599 -4.824 1.00 22.34 H new ATOM 0 HA LEU A 48 -7.779 -7.590 -7.654 1.00 33.32 H new ATOM 0 HB2 LEU A 48 -5.203 -6.878 -6.234 1.00 33.02 H new ATOM 0 HB3 LEU A 48 -5.187 -7.353 -7.921 1.00 33.02 H new ATOM 0 HG LEU A 48 -6.939 -5.474 -8.287 1.00 54.35 H new ATOM 0 HD11 LEU A 48 -6.870 -3.563 -6.745 1.00 61.31 H new ATOM 0 HD12 LEU A 48 -7.584 -5.018 -6.009 1.00 61.31 H new ATOM 0 HD13 LEU A 48 -5.921 -4.537 -5.596 1.00 61.31 H new ATOM 0 HD21 LEU A 48 -5.156 -3.752 -8.530 1.00 55.21 H new ATOM 0 HD22 LEU A 48 -4.064 -4.768 -7.560 1.00 55.21 H new ATOM 0 HD23 LEU A 48 -4.646 -5.343 -9.140 1.00 55.21 H new ATOM 780 N PRO A 49 -6.552 -9.874 -8.228 1.00 23.22 N ATOM 781 CA PRO A 49 -5.945 -11.194 -8.435 1.00 35.24 C ATOM 782 C PRO A 49 -4.410 -11.098 -8.311 1.00 62.32 C ATOM 783 O PRO A 49 -3.828 -10.019 -8.471 1.00 54.32 O ATOM 784 CB PRO A 49 -6.399 -11.570 -9.865 1.00 33.44 C ATOM 785 CG PRO A 49 -6.618 -10.268 -10.564 1.00 43.44 C ATOM 786 CD PRO A 49 -7.046 -9.277 -9.504 1.00 55.12 C ATOM 0 HA PRO A 49 -6.245 -11.943 -7.702 1.00 35.24 H new ATOM 0 HB2 PRO A 49 -5.642 -12.167 -10.374 1.00 33.44 H new ATOM 0 HB3 PRO A 49 -7.313 -12.164 -9.844 1.00 33.44 H new ATOM 0 HG2 PRO A 49 -5.706 -9.936 -11.060 1.00 43.44 H new ATOM 0 HG3 PRO A 49 -7.382 -10.366 -11.335 1.00 43.44 H new ATOM 0 HD2 PRO A 49 -6.611 -8.293 -9.679 1.00 55.12 H new ATOM 0 HD3 PRO A 49 -8.128 -9.149 -9.492 1.00 55.12 H new ATOM 794 N TRP A 50 -3.776 -12.217 -7.978 1.00 40.51 N ATOM 795 CA TRP A 50 -2.320 -12.319 -7.913 1.00 12.44 C ATOM 796 C TRP A 50 -1.917 -13.654 -8.538 1.00 4.13 C ATOM 797 O TRP A 50 -2.342 -14.720 -8.088 1.00 51.33 O ATOM 798 CB TRP A 50 -1.818 -12.201 -6.452 1.00 5.04 C ATOM 799 CG TRP A 50 -0.306 -12.175 -6.337 1.00 31.53 C ATOM 800 CD1 TRP A 50 0.523 -13.227 -6.065 1.00 64.35 C ATOM 801 CD2 TRP A 50 0.551 -11.033 -6.511 1.00 70.53 C ATOM 802 NE1 TRP A 50 1.824 -12.817 -6.072 1.00 72.32 N ATOM 803 CE2 TRP A 50 1.872 -11.476 -6.332 1.00 12.23 C ATOM 804 CE3 TRP A 50 0.329 -9.683 -6.798 1.00 42.32 C ATOM 805 CZ2 TRP A 50 2.968 -10.622 -6.432 1.00 32.12 C ATOM 806 CZ3 TRP A 50 1.417 -8.833 -6.893 1.00 23.44 C ATOM 807 CH2 TRP A 50 2.722 -9.307 -6.711 1.00 1.53 C ATOM 0 H TRP A 50 -4.259 -13.084 -7.744 1.00 40.51 H new ATOM 0 HA TRP A 50 -1.859 -11.499 -8.464 1.00 12.44 H new ATOM 0 HB2 TRP A 50 -2.225 -11.293 -6.008 1.00 5.04 H new ATOM 0 HB3 TRP A 50 -2.205 -13.040 -5.873 1.00 5.04 H new ATOM 0 HD1 TRP A 50 0.195 -14.238 -5.872 1.00 64.35 H new ATOM 0 HE1 TRP A 50 2.633 -13.416 -5.909 1.00 72.32 H new ATOM 0 HE3 TRP A 50 -0.674 -9.310 -6.943 1.00 42.32 H new ATOM 0 HZ2 TRP A 50 3.975 -10.986 -6.294 1.00 32.12 H new ATOM 0 HZ3 TRP A 50 1.257 -7.787 -7.111 1.00 23.44 H new ATOM 0 HH2 TRP A 50 3.551 -8.619 -6.793 1.00 1.53 H new ATOM 864 N PHE A 54 5.326 -15.816 -7.002 1.00 15.24 N ATOM 865 CA PHE A 54 5.299 -14.720 -6.034 1.00 33.24 C ATOM 866 C PHE A 54 6.733 -14.231 -5.765 1.00 10.44 C ATOM 867 O PHE A 54 7.558 -14.961 -5.201 1.00 41.31 O ATOM 868 CB PHE A 54 4.594 -15.152 -4.719 1.00 20.32 C ATOM 869 CG PHE A 54 4.649 -14.092 -3.602 1.00 14.51 C ATOM 870 CD1 PHE A 54 4.014 -12.866 -3.758 1.00 65.40 C ATOM 871 CD2 PHE A 54 5.351 -14.314 -2.420 1.00 64.52 C ATOM 872 CE1 PHE A 54 4.073 -11.902 -2.783 1.00 41.42 C ATOM 873 CE2 PHE A 54 5.414 -13.349 -1.443 1.00 61.25 C ATOM 874 CZ PHE A 54 4.771 -12.145 -1.627 1.00 63.40 C ATOM 0 HA PHE A 54 4.722 -13.895 -6.452 1.00 33.24 H new ATOM 0 HB2 PHE A 54 3.551 -15.382 -4.937 1.00 20.32 H new ATOM 0 HB3 PHE A 54 5.054 -16.071 -4.357 1.00 20.32 H new ATOM 0 HD1 PHE A 54 3.463 -12.668 -4.665 1.00 65.40 H new ATOM 0 HD2 PHE A 54 5.853 -15.258 -2.269 1.00 64.52 H new ATOM 0 HE1 PHE A 54 3.572 -10.956 -2.925 1.00 41.42 H new ATOM 0 HE2 PHE A 54 5.966 -13.534 -0.534 1.00 61.25 H new ATOM 0 HZ PHE A 54 4.816 -11.388 -0.858 1.00 63.40 H new ATOM 884 N HIS A 55 7.005 -12.998 -6.206 1.00 53.01 N ATOM 885 CA HIS A 55 8.286 -12.310 -6.017 1.00 24.35 C ATOM 886 C HIS A 55 8.014 -10.989 -5.270 1.00 5.11 C ATOM 887 O HIS A 55 7.637 -9.991 -5.899 1.00 12.05 O ATOM 888 CB HIS A 55 8.983 -12.030 -7.381 1.00 53.23 C ATOM 889 CG HIS A 55 9.280 -13.255 -8.225 1.00 45.32 C ATOM 890 ND1 HIS A 55 10.376 -14.063 -8.024 1.00 52.43 N ATOM 891 CD2 HIS A 55 8.614 -13.795 -9.274 1.00 55.31 C ATOM 892 CE1 HIS A 55 10.373 -15.043 -8.907 1.00 21.35 C ATOM 893 NE2 HIS A 55 9.314 -14.902 -9.678 1.00 74.40 N ATOM 0 H HIS A 55 6.323 -12.437 -6.717 1.00 53.01 H new ATOM 0 HA HIS A 55 8.958 -12.943 -5.437 1.00 24.35 H new ATOM 0 HB2 HIS A 55 8.352 -11.355 -7.960 1.00 53.23 H new ATOM 0 HB3 HIS A 55 9.919 -11.506 -7.190 1.00 53.23 H new ATOM 0 HD2 HIS A 55 7.700 -13.422 -9.711 1.00 55.31 H new ATOM 0 HE1 HIS A 55 11.112 -15.827 -8.985 1.00 21.35 H new ATOM 0 HE2 HIS A 55 9.057 -15.517 -10.450 1.00 74.40 H new ATOM 902 N PRO A 56 8.159 -10.965 -3.904 1.00 43.43 N ATOM 903 CA PRO A 56 7.937 -9.736 -3.107 1.00 65.12 C ATOM 904 C PRO A 56 9.071 -8.713 -3.320 1.00 13.01 C ATOM 905 O PRO A 56 8.919 -7.544 -2.992 1.00 2.05 O ATOM 906 CB PRO A 56 7.905 -10.263 -1.655 1.00 3.24 C ATOM 907 CG PRO A 56 8.780 -11.473 -1.682 1.00 71.44 C ATOM 908 CD PRO A 56 8.561 -12.111 -3.038 1.00 3.33 C ATOM 0 HA PRO A 56 7.028 -9.203 -3.384 1.00 65.12 H new ATOM 0 HB2 PRO A 56 8.279 -9.518 -0.953 1.00 3.24 H new ATOM 0 HB3 PRO A 56 6.890 -10.513 -1.345 1.00 3.24 H new ATOM 0 HG2 PRO A 56 9.826 -11.202 -1.542 1.00 71.44 H new ATOM 0 HG3 PRO A 56 8.519 -12.162 -0.879 1.00 71.44 H new ATOM 0 HD2 PRO A 56 9.467 -12.593 -3.405 1.00 3.33 H new ATOM 0 HD3 PRO A 56 7.786 -12.876 -3.000 1.00 3.33 H new ATOM 916 N ASP A 57 10.210 -9.201 -3.833 1.00 71.42 N ATOM 917 CA ASP A 57 11.346 -8.367 -4.238 1.00 64.23 C ATOM 918 C ASP A 57 10.963 -7.535 -5.466 1.00 20.20 C ATOM 919 O ASP A 57 11.193 -6.330 -5.495 1.00 21.03 O ATOM 920 CB ASP A 57 12.581 -9.247 -4.556 1.00 35.04 C ATOM 921 CG ASP A 57 12.998 -10.145 -3.383 1.00 31.52 C ATOM 922 OD1 ASP A 57 12.415 -11.241 -3.232 1.00 31.24 O ATOM 923 OD2 ASP A 57 13.892 -9.756 -2.597 1.00 63.22 O ATOM 0 H ASP A 57 10.368 -10.198 -3.979 1.00 71.42 H new ATOM 0 HA ASP A 57 11.602 -7.699 -3.416 1.00 64.23 H new ATOM 0 HB2 ASP A 57 12.362 -9.870 -5.423 1.00 35.04 H new ATOM 0 HB3 ASP A 57 13.418 -8.604 -4.829 1.00 35.04 H new ATOM 928 N THR A 58 10.335 -8.195 -6.455 1.00 11.43 N ATOM 929 CA THR A 58 9.890 -7.545 -7.706 1.00 22.14 C ATOM 930 C THR A 58 8.746 -6.559 -7.420 1.00 54.35 C ATOM 931 O THR A 58 8.703 -5.450 -7.971 1.00 23.23 O ATOM 932 CB THR A 58 9.444 -8.615 -8.757 1.00 73.11 C ATOM 933 OG1 THR A 58 10.539 -9.514 -9.002 1.00 3.24 O ATOM 934 CG2 THR A 58 8.980 -7.988 -10.089 1.00 13.02 C ATOM 0 H THR A 58 10.121 -9.191 -6.413 1.00 11.43 H new ATOM 0 HA THR A 58 10.730 -6.989 -8.122 1.00 22.14 H new ATOM 0 HB THR A 58 8.588 -9.148 -8.342 1.00 73.11 H new ATOM 0 HG1 THR A 58 10.267 -10.189 -9.658 1.00 3.24 H new ATOM 0 HG21 THR A 58 8.683 -8.778 -10.779 1.00 13.02 H new ATOM 0 HG22 THR A 58 8.132 -7.329 -9.905 1.00 13.02 H new ATOM 0 HG23 THR A 58 9.797 -7.414 -10.525 1.00 13.02 H new ATOM 942 N LEU A 59 7.846 -6.991 -6.531 1.00 50.05 N ATOM 943 CA LEU A 59 6.734 -6.170 -6.031 1.00 34.14 C ATOM 944 C LEU A 59 7.280 -4.897 -5.359 1.00 74.33 C ATOM 945 O LEU A 59 6.930 -3.798 -5.760 1.00 31.15 O ATOM 946 CB LEU A 59 5.856 -7.016 -5.062 1.00 63.13 C ATOM 947 CG LEU A 59 4.639 -6.305 -4.381 1.00 60.02 C ATOM 948 CD1 LEU A 59 3.669 -5.661 -5.411 1.00 41.20 C ATOM 949 CD2 LEU A 59 3.890 -7.299 -3.460 1.00 22.25 C ATOM 0 H LEU A 59 7.868 -7.930 -6.133 1.00 50.05 H new ATOM 0 HA LEU A 59 6.102 -5.853 -6.860 1.00 34.14 H new ATOM 0 HB2 LEU A 59 5.477 -7.875 -5.615 1.00 63.13 H new ATOM 0 HB3 LEU A 59 6.502 -7.404 -4.275 1.00 63.13 H new ATOM 0 HG LEU A 59 5.035 -5.488 -3.778 1.00 60.02 H new ATOM 0 HD11 LEU A 59 2.844 -5.182 -4.884 1.00 41.20 H new ATOM 0 HD12 LEU A 59 4.205 -4.916 -5.999 1.00 41.20 H new ATOM 0 HD13 LEU A 59 3.277 -6.433 -6.074 1.00 41.20 H new ATOM 0 HD21 LEU A 59 3.045 -6.795 -2.991 1.00 22.25 H new ATOM 0 HD22 LEU A 59 3.528 -8.140 -4.051 1.00 22.25 H new ATOM 0 HD23 LEU A 59 4.569 -7.663 -2.689 1.00 22.25 H new ATOM 961 N GLN A 60 8.213 -5.079 -4.411 1.00 44.02 N ATOM 962 CA GLN A 60 8.795 -3.982 -3.605 1.00 3.23 C ATOM 963 C GLN A 60 9.568 -2.978 -4.485 1.00 12.34 C ATOM 964 O GLN A 60 9.485 -1.766 -4.263 1.00 2.43 O ATOM 965 CB GLN A 60 9.734 -4.557 -2.514 1.00 4.52 C ATOM 966 CG GLN A 60 10.293 -3.512 -1.532 1.00 53.21 C ATOM 967 CD GLN A 60 11.188 -4.128 -0.454 1.00 2.14 C ATOM 968 OE1 GLN A 60 10.593 -4.512 0.665 1.00 13.12 O flip ATOM 969 NE2 GLN A 60 12.400 -4.262 -0.629 1.00 74.35 N flip ATOM 0 H GLN A 60 8.591 -5.997 -4.177 1.00 44.02 H new ATOM 0 HA GLN A 60 7.971 -3.449 -3.130 1.00 3.23 H new ATOM 0 HB2 GLN A 60 9.191 -5.314 -1.948 1.00 4.52 H new ATOM 0 HB3 GLN A 60 10.569 -5.061 -3.001 1.00 4.52 H new ATOM 0 HG2 GLN A 60 10.862 -2.766 -2.087 1.00 53.21 H new ATOM 0 HG3 GLN A 60 9.464 -2.990 -1.054 1.00 53.21 H new ATOM 0 HE21 GLN A 60 12.826 -3.955 -1.504 1.00 74.35 H new ATOM 0 HE22 GLN A 60 12.978 -4.680 0.101 1.00 74.35 H new ATOM 978 N MET A 61 10.325 -3.499 -5.469 1.00 53.52 N ATOM 979 CA MET A 61 11.122 -2.664 -6.393 1.00 53.20 C ATOM 980 C MET A 61 10.208 -1.811 -7.281 1.00 45.10 C ATOM 981 O MET A 61 10.479 -0.625 -7.479 1.00 44.33 O ATOM 982 CB MET A 61 12.083 -3.527 -7.274 1.00 4.11 C ATOM 983 CG MET A 61 13.259 -4.164 -6.512 1.00 12.22 C ATOM 984 SD MET A 61 14.436 -5.035 -7.587 1.00 14.31 S ATOM 985 CE MET A 61 13.428 -6.328 -8.315 1.00 44.40 C ATOM 0 H MET A 61 10.403 -4.500 -5.647 1.00 53.52 H new ATOM 0 HA MET A 61 11.736 -2.003 -5.782 1.00 53.20 H new ATOM 0 HB2 MET A 61 11.504 -4.319 -7.749 1.00 4.11 H new ATOM 0 HB3 MET A 61 12.482 -2.901 -8.072 1.00 4.11 H new ATOM 0 HG2 MET A 61 13.789 -3.386 -5.962 1.00 12.22 H new ATOM 0 HG3 MET A 61 12.867 -4.864 -5.775 1.00 12.22 H new ATOM 0 HE1 MET A 61 14.061 -7.001 -8.893 1.00 44.40 H new ATOM 0 HE2 MET A 61 12.929 -6.889 -7.525 1.00 44.40 H new ATOM 0 HE3 MET A 61 12.681 -5.881 -8.971 1.00 44.40 H new ATOM 995 N ALA A 62 9.123 -2.420 -7.796 1.00 24.12 N ATOM 996 CA ALA A 62 8.160 -1.730 -8.681 1.00 4.41 C ATOM 997 C ALA A 62 7.428 -0.617 -7.907 1.00 53.24 C ATOM 998 O ALA A 62 7.290 0.514 -8.397 1.00 33.32 O ATOM 999 CB ALA A 62 7.166 -2.743 -9.277 1.00 21.20 C ATOM 0 H ALA A 62 8.889 -3.396 -7.614 1.00 24.12 H new ATOM 0 HA ALA A 62 8.702 -1.266 -9.505 1.00 4.41 H new ATOM 0 HB1 ALA A 62 6.462 -2.223 -9.927 1.00 21.20 H new ATOM 0 HB2 ALA A 62 7.710 -3.490 -9.855 1.00 21.20 H new ATOM 0 HB3 ALA A 62 6.621 -3.235 -8.471 1.00 21.20 H new ATOM 1005 N LEU A 63 7.005 -0.962 -6.676 1.00 1.24 N ATOM 1006 CA LEU A 63 6.399 -0.020 -5.719 1.00 23.45 C ATOM 1007 C LEU A 63 7.342 1.167 -5.483 1.00 51.33 C ATOM 1008 O LEU A 63 6.922 2.312 -5.547 1.00 15.13 O ATOM 1009 CB LEU A 63 6.089 -0.736 -4.371 1.00 13.31 C ATOM 1010 CG LEU A 63 4.969 -1.824 -4.403 1.00 40.43 C ATOM 1011 CD1 LEU A 63 4.989 -2.673 -3.110 1.00 42.22 C ATOM 1012 CD2 LEU A 63 3.571 -1.196 -4.648 1.00 54.23 C ATOM 0 H LEU A 63 7.076 -1.913 -6.315 1.00 1.24 H new ATOM 0 HA LEU A 63 5.463 0.349 -6.138 1.00 23.45 H new ATOM 0 HB2 LEU A 63 7.007 -1.202 -4.013 1.00 13.31 H new ATOM 0 HB3 LEU A 63 5.809 0.021 -3.639 1.00 13.31 H new ATOM 0 HG LEU A 63 5.174 -2.488 -5.243 1.00 40.43 H new ATOM 0 HD11 LEU A 63 4.200 -3.424 -3.156 1.00 42.22 H new ATOM 0 HD12 LEU A 63 5.956 -3.168 -3.014 1.00 42.22 H new ATOM 0 HD13 LEU A 63 4.825 -2.027 -2.248 1.00 42.22 H new ATOM 0 HD21 LEU A 63 2.817 -1.983 -4.664 1.00 54.23 H new ATOM 0 HD22 LEU A 63 3.344 -0.491 -3.848 1.00 54.23 H new ATOM 0 HD23 LEU A 63 3.570 -0.673 -5.604 1.00 54.23 H new ATOM 1024 N GLN A 64 8.621 0.872 -5.238 1.00 71.41 N ATOM 1025 CA GLN A 64 9.643 1.898 -4.986 1.00 1.11 C ATOM 1026 C GLN A 64 9.779 2.884 -6.172 1.00 53.24 C ATOM 1027 O GLN A 64 10.003 4.079 -5.956 1.00 3.23 O ATOM 1028 CB GLN A 64 11.006 1.232 -4.656 1.00 33.10 C ATOM 1029 CG GLN A 64 12.085 2.203 -4.143 1.00 24.52 C ATOM 1030 CD GLN A 64 11.755 2.789 -2.768 1.00 3.20 C ATOM 1031 OE1 GLN A 64 11.093 3.816 -2.660 1.00 64.25 O ATOM 1032 NE2 GLN A 64 12.229 2.146 -1.709 1.00 23.12 N ATOM 0 H GLN A 64 8.980 -0.082 -5.208 1.00 71.41 H new ATOM 0 HA GLN A 64 9.321 2.481 -4.123 1.00 1.11 H new ATOM 0 HB2 GLN A 64 10.845 0.458 -3.905 1.00 33.10 H new ATOM 0 HB3 GLN A 64 11.379 0.735 -5.551 1.00 33.10 H new ATOM 0 HG2 GLN A 64 13.040 1.681 -4.090 1.00 24.52 H new ATOM 0 HG3 GLN A 64 12.205 3.016 -4.859 1.00 24.52 H new ATOM 0 HE21 GLN A 64 12.776 1.294 -1.832 1.00 23.12 H new ATOM 0 HE22 GLN A 64 12.046 2.503 -0.771 1.00 23.12 H new ATOM 1041 N VAL A 65 9.612 2.389 -7.421 1.00 54.12 N ATOM 1042 CA VAL A 65 9.713 3.234 -8.637 1.00 74.31 C ATOM 1043 C VAL A 65 8.570 4.268 -8.675 1.00 22.24 C ATOM 1044 O VAL A 65 8.755 5.391 -9.154 1.00 13.43 O ATOM 1045 CB VAL A 65 9.712 2.356 -9.955 1.00 40.24 C ATOM 1046 CG1 VAL A 65 9.700 3.218 -11.246 1.00 71.01 C ATOM 1047 CG2 VAL A 65 10.913 1.377 -9.967 1.00 32.13 C ATOM 0 H VAL A 65 9.407 1.409 -7.614 1.00 54.12 H new ATOM 0 HA VAL A 65 10.664 3.766 -8.593 1.00 74.31 H new ATOM 0 HB VAL A 65 8.787 1.780 -9.946 1.00 40.24 H new ATOM 0 HG11 VAL A 65 9.700 2.566 -12.119 1.00 71.01 H new ATOM 0 HG12 VAL A 65 8.806 3.842 -11.259 1.00 71.01 H new ATOM 0 HG13 VAL A 65 10.586 3.853 -11.268 1.00 71.01 H new ATOM 0 HG21 VAL A 65 10.891 0.785 -10.882 1.00 32.13 H new ATOM 0 HG22 VAL A 65 11.844 1.942 -9.923 1.00 32.13 H new ATOM 0 HG23 VAL A 65 10.851 0.714 -9.104 1.00 32.13 H new ATOM 1057 N VAL A 66 7.405 3.894 -8.117 1.00 74.22 N ATOM 1058 CA VAL A 66 6.209 4.766 -8.077 1.00 34.50 C ATOM 1059 C VAL A 66 6.056 5.437 -6.681 1.00 61.41 C ATOM 1060 O VAL A 66 5.000 5.995 -6.365 1.00 12.31 O ATOM 1061 CB VAL A 66 4.915 3.962 -8.486 1.00 64.25 C ATOM 1062 CG1 VAL A 66 5.040 3.399 -9.925 1.00 32.40 C ATOM 1063 CG2 VAL A 66 4.594 2.835 -7.486 1.00 53.41 C ATOM 0 H VAL A 66 7.262 2.983 -7.681 1.00 74.22 H new ATOM 0 HA VAL A 66 6.342 5.564 -8.807 1.00 34.50 H new ATOM 0 HB VAL A 66 4.083 4.665 -8.462 1.00 64.25 H new ATOM 0 HG11 VAL A 66 4.134 2.849 -10.181 1.00 32.40 H new ATOM 0 HG12 VAL A 66 5.176 4.222 -10.627 1.00 32.40 H new ATOM 0 HG13 VAL A 66 5.898 2.729 -9.980 1.00 32.40 H new ATOM 0 HG21 VAL A 66 3.695 2.308 -7.807 1.00 53.41 H new ATOM 0 HG22 VAL A 66 5.429 2.136 -7.445 1.00 53.41 H new ATOM 0 HG23 VAL A 66 4.430 3.262 -6.497 1.00 53.41 H new ATOM 1073 N ASN A 67 7.149 5.378 -5.878 1.00 43.50 N ATOM 1074 CA ASN A 67 7.288 6.069 -4.565 1.00 75.24 C ATOM 1075 C ASN A 67 6.309 5.508 -3.505 1.00 20.24 C ATOM 1076 O ASN A 67 5.773 6.229 -2.653 1.00 44.44 O ATOM 1077 CB ASN A 67 7.168 7.621 -4.721 1.00 33.01 C ATOM 1078 CG ASN A 67 7.612 8.422 -3.481 1.00 34.25 C ATOM 1079 OD1 ASN A 67 7.046 9.456 -3.167 1.00 21.23 O ATOM 1080 ND2 ASN A 67 8.662 7.986 -2.800 1.00 41.23 N ATOM 0 H ASN A 67 7.977 4.838 -6.128 1.00 43.50 H new ATOM 0 HA ASN A 67 8.292 5.861 -4.195 1.00 75.24 H new ATOM 0 HB2 ASN A 67 7.767 7.935 -5.575 1.00 33.01 H new ATOM 0 HB3 ASN A 67 6.132 7.872 -4.949 1.00 33.01 H new ATOM 0 HD21 ASN A 67 9.008 8.517 -2.001 1.00 41.23 H new ATOM 0 HD22 ASN A 67 9.124 7.119 -3.075 1.00 41.23 H new ATOM 1087 N ILE A 68 6.109 4.192 -3.552 1.00 32.24 N ATOM 1088 CA ILE A 68 5.364 3.452 -2.533 1.00 35.35 C ATOM 1089 C ILE A 68 6.393 2.632 -1.741 1.00 24.45 C ATOM 1090 O ILE A 68 6.917 1.624 -2.234 1.00 21.44 O ATOM 1091 CB ILE A 68 4.276 2.505 -3.172 1.00 44.31 C ATOM 1092 CG1 ILE A 68 3.340 3.293 -4.139 1.00 51.41 C ATOM 1093 CG2 ILE A 68 3.455 1.781 -2.085 1.00 23.03 C ATOM 1094 CD1 ILE A 68 2.553 4.416 -3.496 1.00 32.22 C ATOM 0 H ILE A 68 6.463 3.603 -4.306 1.00 32.24 H new ATOM 0 HA ILE A 68 4.824 4.145 -1.887 1.00 35.35 H new ATOM 0 HB ILE A 68 4.802 1.749 -3.754 1.00 44.31 H new ATOM 0 HG12 ILE A 68 3.943 3.708 -4.946 1.00 51.41 H new ATOM 0 HG13 ILE A 68 2.639 2.592 -4.593 1.00 51.41 H new ATOM 0 HG21 ILE A 68 2.714 1.136 -2.558 1.00 23.03 H new ATOM 0 HG22 ILE A 68 4.121 1.177 -1.468 1.00 23.03 H new ATOM 0 HG23 ILE A 68 2.949 2.517 -1.460 1.00 23.03 H new ATOM 0 HD11 ILE A 68 1.933 4.903 -4.249 1.00 32.22 H new ATOM 0 HD12 ILE A 68 1.917 4.011 -2.709 1.00 32.22 H new ATOM 0 HD13 ILE A 68 3.242 5.144 -3.067 1.00 32.22 H new ATOM 1106 N GLN A 69 6.710 3.096 -0.531 1.00 44.20 N ATOM 1107 CA GLN A 69 7.779 2.509 0.293 1.00 21.35 C ATOM 1108 C GLN A 69 7.218 1.403 1.209 1.00 73.54 C ATOM 1109 O GLN A 69 6.058 1.452 1.593 1.00 44.01 O ATOM 1110 CB GLN A 69 8.470 3.622 1.120 1.00 1.33 C ATOM 1111 CG GLN A 69 9.707 3.144 1.898 1.00 14.41 C ATOM 1112 CD GLN A 69 10.470 4.257 2.608 1.00 61.43 C ATOM 1113 OE1 GLN A 69 11.159 3.914 3.677 1.00 31.24 O flip ATOM 1114 NE2 GLN A 69 10.458 5.411 2.187 1.00 62.23 N flip ATOM 0 H GLN A 69 6.238 3.886 -0.092 1.00 44.20 H new ATOM 0 HA GLN A 69 8.520 2.049 -0.361 1.00 21.35 H new ATOM 0 HB2 GLN A 69 8.764 4.429 0.450 1.00 1.33 H new ATOM 0 HB3 GLN A 69 7.749 4.039 1.824 1.00 1.33 H new ATOM 0 HG2 GLN A 69 9.394 2.405 2.636 1.00 14.41 H new ATOM 0 HG3 GLN A 69 10.383 2.639 1.208 1.00 14.41 H new ATOM 0 HE21 GLN A 69 9.914 5.645 1.356 1.00 62.23 H new ATOM 0 HE22 GLN A 69 10.992 6.135 2.668 1.00 62.23 H new ATOM 1123 N THR A 70 8.067 0.428 1.567 1.00 73.33 N ATOM 1124 CA THR A 70 7.675 -0.718 2.388 1.00 11.24 C ATOM 1125 C THR A 70 8.031 -0.448 3.864 1.00 23.21 C ATOM 1126 O THR A 70 9.203 -0.443 4.243 1.00 43.34 O ATOM 1127 CB THR A 70 8.378 -2.016 1.878 1.00 61.52 C ATOM 1128 OG1 THR A 70 8.044 -2.234 0.498 1.00 13.44 O ATOM 1129 CG2 THR A 70 7.977 -3.250 2.694 1.00 31.24 C ATOM 0 H THR A 70 9.049 0.416 1.292 1.00 73.33 H new ATOM 0 HA THR A 70 6.597 -0.862 2.309 1.00 11.24 H new ATOM 0 HB THR A 70 9.452 -1.873 1.994 1.00 61.52 H new ATOM 0 HG1 THR A 70 7.894 -3.190 0.345 1.00 13.44 H new ATOM 0 HG21 THR A 70 8.491 -4.128 2.302 1.00 31.24 H new ATOM 0 HG22 THR A 70 8.255 -3.102 3.738 1.00 31.24 H new ATOM 0 HG23 THR A 70 6.900 -3.399 2.623 1.00 31.24 H new ATOM 1137 N ILE A 71 7.006 -0.191 4.672 1.00 70.23 N ATOM 1138 CA ILE A 71 7.137 0.043 6.115 1.00 5.02 C ATOM 1139 C ILE A 71 7.336 -1.286 6.854 1.00 60.32 C ATOM 1140 O ILE A 71 8.064 -1.351 7.851 1.00 71.32 O ATOM 1141 CB ILE A 71 5.868 0.785 6.656 1.00 2.12 C ATOM 1142 CG1 ILE A 71 5.649 2.109 5.870 1.00 44.44 C ATOM 1143 CG2 ILE A 71 5.955 1.054 8.175 1.00 34.33 C ATOM 1144 CD1 ILE A 71 6.784 3.123 5.983 1.00 74.23 C ATOM 0 H ILE A 71 6.043 -0.138 4.341 1.00 70.23 H new ATOM 0 HA ILE A 71 8.011 0.670 6.292 1.00 5.02 H new ATOM 0 HB ILE A 71 5.009 0.132 6.499 1.00 2.12 H new ATOM 0 HG12 ILE A 71 5.501 1.868 4.817 1.00 44.44 H new ATOM 0 HG13 ILE A 71 4.729 2.575 6.223 1.00 44.44 H new ATOM 0 HG21 ILE A 71 5.054 1.570 8.505 1.00 34.33 H new ATOM 0 HG22 ILE A 71 6.047 0.107 8.707 1.00 34.33 H new ATOM 0 HG23 ILE A 71 6.826 1.675 8.385 1.00 34.33 H new ATOM 0 HD11 ILE A 71 6.538 4.011 5.401 1.00 74.23 H new ATOM 0 HD12 ILE A 71 6.921 3.400 7.028 1.00 74.23 H new ATOM 0 HD13 ILE A 71 7.705 2.683 5.601 1.00 74.23 H new ATOM 1156 N ALA A 72 6.657 -2.332 6.373 1.00 23.23 N ATOM 1157 CA ALA A 72 6.820 -3.696 6.883 1.00 40.51 C ATOM 1158 C ALA A 72 6.486 -4.712 5.782 1.00 21.53 C ATOM 1159 O ALA A 72 5.767 -4.393 4.835 1.00 30.32 O ATOM 1160 CB ALA A 72 5.933 -3.905 8.119 1.00 22.33 C ATOM 0 H ALA A 72 5.977 -2.256 5.617 1.00 23.23 H new ATOM 0 HA ALA A 72 7.857 -3.848 7.181 1.00 40.51 H new ATOM 0 HB1 ALA A 72 6.061 -4.922 8.491 1.00 22.33 H new ATOM 0 HB2 ALA A 72 6.219 -3.196 8.896 1.00 22.33 H new ATOM 0 HB3 ALA A 72 4.889 -3.746 7.849 1.00 22.33 H new ATOM 1166 N MET A 73 7.032 -5.927 5.904 1.00 41.25 N ATOM 1167 CA MET A 73 6.777 -7.023 4.959 1.00 62.11 C ATOM 1168 C MET A 73 7.017 -8.369 5.658 1.00 34.44 C ATOM 1169 O MET A 73 8.052 -8.562 6.301 1.00 20.43 O ATOM 1170 CB MET A 73 7.678 -6.888 3.689 1.00 33.05 C ATOM 1171 CG MET A 73 7.477 -7.988 2.635 1.00 4.03 C ATOM 1172 SD MET A 73 8.392 -7.702 1.094 1.00 62.34 S ATOM 1173 CE MET A 73 7.529 -6.301 0.374 1.00 63.31 C ATOM 0 H MET A 73 7.665 -6.180 6.663 1.00 41.25 H new ATOM 0 HA MET A 73 5.739 -6.972 4.632 1.00 62.11 H new ATOM 0 HB2 MET A 73 7.485 -5.921 3.225 1.00 33.05 H new ATOM 0 HB3 MET A 73 8.723 -6.889 4.000 1.00 33.05 H new ATOM 0 HG2 MET A 73 7.786 -8.944 3.058 1.00 4.03 H new ATOM 0 HG3 MET A 73 6.414 -8.069 2.406 1.00 4.03 H new ATOM 0 HE1 MET A 73 7.237 -6.540 -0.649 1.00 63.31 H new ATOM 0 HE2 MET A 73 6.639 -6.080 0.963 1.00 63.31 H new ATOM 0 HE3 MET A 73 8.187 -5.432 0.370 1.00 63.31 H new ATOM 1183 N SER A 74 6.035 -9.271 5.547 1.00 53.10 N ATOM 1184 CA SER A 74 6.146 -10.661 6.012 1.00 21.41 C ATOM 1185 C SER A 74 7.102 -11.454 5.095 1.00 53.12 C ATOM 1186 O SER A 74 7.433 -11.009 3.982 1.00 31.53 O ATOM 1187 CB SER A 74 4.739 -11.316 6.056 1.00 60.42 C ATOM 1188 OG SER A 74 4.782 -12.655 6.536 1.00 15.43 O ATOM 0 H SER A 74 5.131 -9.055 5.127 1.00 53.10 H new ATOM 0 HA SER A 74 6.560 -10.673 7.020 1.00 21.41 H new ATOM 0 HB2 SER A 74 4.085 -10.724 6.696 1.00 60.42 H new ATOM 0 HB3 SER A 74 4.304 -11.304 5.057 1.00 60.42 H new ATOM 0 HG SER A 74 3.876 -13.027 6.549 1.00 15.43 H new ATOM 1194 N ARG A 75 7.535 -12.627 5.572 1.00 23.34 N ATOM 1195 CA ARG A 75 8.485 -13.482 4.846 1.00 3.44 C ATOM 1196 C ARG A 75 7.832 -14.083 3.586 1.00 32.54 C ATOM 1197 O ARG A 75 6.643 -14.444 3.599 1.00 13.53 O ATOM 1198 CB ARG A 75 9.014 -14.612 5.770 1.00 3.12 C ATOM 1199 CG ARG A 75 9.927 -14.129 6.916 1.00 2.35 C ATOM 1200 CD ARG A 75 10.385 -15.282 7.831 1.00 62.43 C ATOM 1201 NE ARG A 75 11.107 -16.334 7.083 1.00 64.04 N ATOM 1202 CZ ARG A 75 11.404 -17.565 7.544 1.00 62.24 C ATOM 1203 NH1 ARG A 75 11.031 -17.953 8.763 1.00 42.04 N ATOM 1204 NH2 ARG A 75 12.039 -18.422 6.762 1.00 11.11 N ATOM 0 H ARG A 75 7.238 -13.010 6.469 1.00 23.34 H new ATOM 0 HA ARG A 75 9.326 -12.864 4.533 1.00 3.44 H new ATOM 0 HB2 ARG A 75 8.163 -15.141 6.199 1.00 3.12 H new ATOM 0 HB3 ARG A 75 9.564 -15.332 5.164 1.00 3.12 H new ATOM 0 HG2 ARG A 75 10.802 -13.634 6.495 1.00 2.35 H new ATOM 0 HG3 ARG A 75 9.396 -13.386 7.511 1.00 2.35 H new ATOM 0 HD2 ARG A 75 11.031 -14.887 8.615 1.00 62.43 H new ATOM 0 HD3 ARG A 75 9.517 -15.720 8.324 1.00 62.43 H new ATOM 0 HE ARG A 75 11.407 -16.108 6.135 1.00 64.04 H new ATOM 0 HH11 ARG A 75 10.511 -17.314 9.365 1.00 42.04 H new ATOM 0 HH12 ARG A 75 11.265 -18.889 9.094 1.00 42.04 H new ATOM 0 HH21 ARG A 75 12.302 -18.150 5.815 1.00 11.11 H new ATOM 0 HH22 ARG A 75 12.266 -19.355 7.106 1.00 11.11 H new ATOM 1218 N ALA A 76 8.625 -14.166 2.508 1.00 53.51 N ATOM 1219 CA ALA A 76 8.229 -14.830 1.262 1.00 75.00 C ATOM 1220 C ALA A 76 8.040 -16.328 1.526 1.00 61.44 C ATOM 1221 O ALA A 76 8.889 -16.961 2.171 1.00 23.44 O ATOM 1222 CB ALA A 76 9.286 -14.590 0.174 1.00 22.43 C ATOM 0 H ALA A 76 9.565 -13.771 2.478 1.00 53.51 H new ATOM 0 HA ALA A 76 7.286 -14.414 0.908 1.00 75.00 H new ATOM 0 HB1 ALA A 76 8.981 -15.088 -0.746 1.00 22.43 H new ATOM 0 HB2 ALA A 76 9.384 -13.520 -0.008 1.00 22.43 H new ATOM 0 HB3 ALA A 76 10.244 -14.992 0.503 1.00 22.43 H new ATOM 1228 N GLY A 77 6.919 -16.875 1.058 1.00 73.05 N ATOM 1229 CA GLY A 77 6.558 -18.268 1.327 1.00 55.13 C ATOM 1230 C GLY A 77 5.604 -18.405 2.506 1.00 51.53 C ATOM 1231 O GLY A 77 4.913 -19.414 2.624 1.00 55.11 O ATOM 0 H GLY A 77 6.240 -16.371 0.487 1.00 73.05 H new ATOM 0 HA2 GLY A 77 6.097 -18.699 0.438 1.00 55.13 H new ATOM 0 HA3 GLY A 77 7.463 -18.842 1.527 1.00 55.13 H new ATOM 1235 N SER A 78 5.561 -17.379 3.382 1.00 1.31 N ATOM 1236 CA SER A 78 4.652 -17.358 4.539 1.00 62.05 C ATOM 1237 C SER A 78 3.314 -16.740 4.105 1.00 50.12 C ATOM 1238 O SER A 78 3.274 -15.583 3.686 1.00 30.02 O ATOM 1239 CB SER A 78 5.287 -16.549 5.696 1.00 73.44 C ATOM 1240 OG SER A 78 4.479 -16.561 6.864 1.00 13.10 O ATOM 0 H SER A 78 6.151 -16.551 3.305 1.00 1.31 H new ATOM 0 HA SER A 78 4.477 -18.373 4.897 1.00 62.05 H new ATOM 0 HB2 SER A 78 6.268 -16.962 5.930 1.00 73.44 H new ATOM 0 HB3 SER A 78 5.443 -15.519 5.375 1.00 73.44 H new ATOM 0 HG SER A 78 4.917 -16.041 7.570 1.00 13.10 H new ATOM 1246 N ARG A 79 2.226 -17.535 4.176 1.00 13.44 N ATOM 1247 CA ARG A 79 0.863 -17.102 3.795 1.00 60.34 C ATOM 1248 C ARG A 79 -0.109 -17.361 4.981 1.00 52.43 C ATOM 1249 O ARG A 79 0.003 -18.404 5.628 1.00 13.45 O ATOM 1250 CB ARG A 79 0.407 -17.825 2.494 1.00 64.11 C ATOM 1251 CG ARG A 79 1.314 -17.538 1.276 1.00 14.04 C ATOM 1252 CD ARG A 79 0.950 -18.368 0.034 1.00 12.12 C ATOM 1253 NE ARG A 79 -0.285 -17.917 -0.629 1.00 73.44 N ATOM 1254 CZ ARG A 79 -0.703 -18.360 -1.833 1.00 25.12 C ATOM 1255 NH1 ARG A 79 -0.007 -19.273 -2.495 1.00 23.12 N ATOM 1256 NH2 ARG A 79 -1.817 -17.891 -2.367 1.00 3.23 N ATOM 0 H ARG A 79 2.268 -18.501 4.501 1.00 13.44 H new ATOM 0 HA ARG A 79 0.860 -16.033 3.582 1.00 60.34 H new ATOM 0 HB2 ARG A 79 0.385 -18.900 2.674 1.00 64.11 H new ATOM 0 HB3 ARG A 79 -0.612 -17.520 2.257 1.00 64.11 H new ATOM 0 HG2 ARG A 79 1.251 -16.479 1.027 1.00 14.04 H new ATOM 0 HG3 ARG A 79 2.350 -17.740 1.548 1.00 14.04 H new ATOM 0 HD2 ARG A 79 1.774 -18.322 -0.679 1.00 12.12 H new ATOM 0 HD3 ARG A 79 0.837 -19.413 0.324 1.00 12.12 H new ATOM 0 HE ARG A 79 -0.861 -17.226 -0.148 1.00 73.44 H new ATOM 0 HH11 ARG A 79 0.853 -19.647 -2.095 1.00 23.12 H new ATOM 0 HH12 ARG A 79 -0.332 -19.601 -3.405 1.00 23.12 H new ATOM 0 HH21 ARG A 79 -2.366 -17.190 -1.869 1.00 3.23 H new ATOM 0 HH22 ARG A 79 -2.128 -18.230 -3.277 1.00 3.23 H new ATOM 1270 N PRO A 80 -1.084 -16.434 5.300 1.00 22.14 N ATOM 1271 CA PRO A 80 -1.414 -15.238 4.484 1.00 15.30 C ATOM 1272 C PRO A 80 -0.360 -14.115 4.617 1.00 52.12 C ATOM 1273 O PRO A 80 -0.140 -13.569 5.697 1.00 63.35 O ATOM 1274 CB PRO A 80 -2.788 -14.812 5.041 1.00 14.50 C ATOM 1275 CG PRO A 80 -2.757 -15.220 6.477 1.00 22.52 C ATOM 1276 CD PRO A 80 -1.925 -16.488 6.532 1.00 50.00 C ATOM 0 HA PRO A 80 -1.428 -15.450 3.415 1.00 15.30 H new ATOM 0 HB2 PRO A 80 -2.942 -13.738 4.938 1.00 14.50 H new ATOM 0 HB3 PRO A 80 -3.601 -15.303 4.507 1.00 14.50 H new ATOM 0 HG2 PRO A 80 -2.318 -14.438 7.096 1.00 22.52 H new ATOM 0 HG3 PRO A 80 -3.764 -15.397 6.854 1.00 22.52 H new ATOM 0 HD2 PRO A 80 -1.310 -16.521 7.432 1.00 50.00 H new ATOM 0 HD3 PRO A 80 -2.556 -17.377 6.544 1.00 50.00 H new ATOM 1284 N TRP A 81 0.306 -13.823 3.497 1.00 12.03 N ATOM 1285 CA TRP A 81 1.388 -12.842 3.439 1.00 42.24 C ATOM 1286 C TRP A 81 0.804 -11.436 3.570 1.00 45.13 C ATOM 1287 O TRP A 81 -0.213 -11.143 2.967 1.00 54.44 O ATOM 1288 CB TRP A 81 2.162 -12.998 2.104 1.00 1.11 C ATOM 1289 CG TRP A 81 3.278 -11.995 1.904 1.00 61.12 C ATOM 1290 CD1 TRP A 81 4.561 -12.066 2.372 1.00 31.22 C ATOM 1291 CD2 TRP A 81 3.190 -10.770 1.165 1.00 44.45 C ATOM 1292 NE1 TRP A 81 5.270 -10.963 1.969 1.00 11.22 N ATOM 1293 CE2 TRP A 81 4.449 -10.155 1.223 1.00 22.32 C ATOM 1294 CE3 TRP A 81 2.160 -10.139 0.459 1.00 12.55 C ATOM 1295 CZ2 TRP A 81 4.711 -8.944 0.600 1.00 3.44 C ATOM 1296 CZ3 TRP A 81 2.423 -8.938 -0.160 1.00 22.22 C ATOM 1297 CH2 TRP A 81 3.690 -8.354 -0.087 1.00 72.21 C ATOM 0 H TRP A 81 0.107 -14.265 2.600 1.00 12.03 H new ATOM 0 HA TRP A 81 2.085 -13.008 4.261 1.00 42.24 H new ATOM 0 HB2 TRP A 81 2.581 -14.003 2.057 1.00 1.11 H new ATOM 0 HB3 TRP A 81 1.457 -12.908 1.277 1.00 1.11 H new ATOM 0 HD1 TRP A 81 4.958 -12.872 2.971 1.00 31.22 H new ATOM 0 HE1 TRP A 81 6.248 -10.774 2.188 1.00 11.22 H new ATOM 0 HE3 TRP A 81 1.178 -10.585 0.401 1.00 12.55 H new ATOM 0 HZ2 TRP A 81 5.687 -8.485 0.656 1.00 3.44 H new ATOM 0 HZ3 TRP A 81 1.638 -8.440 -0.710 1.00 22.22 H new ATOM 0 HH2 TRP A 81 3.866 -7.413 -0.586 1.00 72.21 H new ATOM 1308 N LYS A 82 1.436 -10.579 4.371 1.00 74.25 N ATOM 1309 CA LYS A 82 1.014 -9.179 4.496 1.00 72.32 C ATOM 1310 C LYS A 82 2.212 -8.234 4.360 1.00 65.24 C ATOM 1311 O LYS A 82 3.352 -8.614 4.612 1.00 65.50 O ATOM 1312 CB LYS A 82 0.241 -8.965 5.831 1.00 33.24 C ATOM 1313 CG LYS A 82 -0.313 -7.538 6.039 1.00 31.52 C ATOM 1314 CD LYS A 82 -1.281 -7.432 7.239 1.00 72.42 C ATOM 1315 CE LYS A 82 -2.599 -8.188 7.017 1.00 22.22 C ATOM 1316 NZ LYS A 82 -3.571 -7.936 8.112 1.00 42.44 N ATOM 0 H LYS A 82 2.242 -10.827 4.944 1.00 74.25 H new ATOM 0 HA LYS A 82 0.330 -8.941 3.681 1.00 72.32 H new ATOM 0 HB2 LYS A 82 -0.589 -9.671 5.871 1.00 33.24 H new ATOM 0 HB3 LYS A 82 0.905 -9.206 6.661 1.00 33.24 H new ATOM 0 HG2 LYS A 82 0.519 -6.850 6.189 1.00 31.52 H new ATOM 0 HG3 LYS A 82 -0.830 -7.220 5.134 1.00 31.52 H new ATOM 0 HD2 LYS A 82 -0.790 -7.823 8.130 1.00 72.42 H new ATOM 0 HD3 LYS A 82 -1.499 -6.381 7.431 1.00 72.42 H new ATOM 0 HE2 LYS A 82 -3.036 -7.884 6.066 1.00 22.22 H new ATOM 0 HE3 LYS A 82 -2.398 -9.257 6.949 1.00 22.22 H new ATOM 0 HZ1 LYS A 82 -4.421 -8.516 7.962 1.00 42.44 H new ATOM 0 HZ2 LYS A 82 -3.139 -8.186 9.024 1.00 42.44 H new ATOM 0 HZ3 LYS A 82 -3.835 -6.930 8.118 1.00 42.44 H new ATOM 1330 N ALA A 83 1.922 -6.996 3.936 1.00 2.13 N ATOM 1331 CA ALA A 83 2.909 -5.928 3.778 1.00 65.14 C ATOM 1332 C ALA A 83 2.228 -4.594 4.056 1.00 62.35 C ATOM 1333 O ALA A 83 1.063 -4.398 3.704 1.00 52.42 O ATOM 1334 CB ALA A 83 3.533 -5.931 2.375 1.00 50.55 C ATOM 0 H ALA A 83 0.975 -6.707 3.689 1.00 2.13 H new ATOM 0 HA ALA A 83 3.722 -6.091 4.486 1.00 65.14 H new ATOM 0 HB1 ALA A 83 4.260 -5.123 2.299 1.00 50.55 H new ATOM 0 HB2 ALA A 83 4.031 -6.885 2.200 1.00 50.55 H new ATOM 0 HB3 ALA A 83 2.751 -5.787 1.629 1.00 50.55 H new ATOM 1340 N TYR A 84 2.965 -3.698 4.696 1.00 50.42 N ATOM 1341 CA TYR A 84 2.514 -2.349 5.021 1.00 40.24 C ATOM 1342 C TYR A 84 3.327 -1.367 4.190 1.00 43.52 C ATOM 1343 O TYR A 84 4.547 -1.372 4.257 1.00 34.00 O ATOM 1344 CB TYR A 84 2.680 -2.087 6.531 1.00 62.43 C ATOM 1345 CG TYR A 84 1.792 -2.995 7.401 1.00 10.31 C ATOM 1346 CD1 TYR A 84 0.402 -3.032 7.223 1.00 55.21 C ATOM 1347 CD2 TYR A 84 2.330 -3.795 8.399 1.00 4.31 C ATOM 1348 CE1 TYR A 84 -0.397 -3.828 8.003 1.00 51.02 C ATOM 1349 CE2 TYR A 84 1.532 -4.598 9.175 1.00 62.51 C ATOM 1350 CZ TYR A 84 0.173 -4.606 8.982 1.00 41.52 C ATOM 1351 OH TYR A 84 -0.619 -5.402 9.776 1.00 25.43 O ATOM 0 H TYR A 84 3.915 -3.891 5.012 1.00 50.42 H new ATOM 0 HA TYR A 84 1.456 -2.227 4.787 1.00 40.24 H new ATOM 0 HB2 TYR A 84 3.724 -2.237 6.807 1.00 62.43 H new ATOM 0 HB3 TYR A 84 2.441 -1.045 6.742 1.00 62.43 H new ATOM 0 HD1 TYR A 84 -0.049 -2.421 6.455 1.00 55.21 H new ATOM 0 HD2 TYR A 84 3.397 -3.786 8.568 1.00 4.31 H new ATOM 0 HE1 TYR A 84 -1.466 -3.843 7.849 1.00 51.02 H new ATOM 0 HE2 TYR A 84 1.973 -5.223 9.937 1.00 62.51 H new ATOM 0 HH TYR A 84 -0.058 -5.887 10.416 1.00 25.43 H new ATOM 1361 N LEU A 85 2.637 -0.582 3.364 1.00 42.35 N ATOM 1362 CA LEU A 85 3.236 0.376 2.433 1.00 63.04 C ATOM 1363 C LEU A 85 2.807 1.794 2.797 1.00 22.13 C ATOM 1364 O LEU A 85 1.663 1.996 3.166 1.00 35.10 O ATOM 1365 CB LEU A 85 2.756 0.065 0.998 1.00 1.44 C ATOM 1366 CG LEU A 85 2.968 -1.389 0.495 1.00 20.12 C ATOM 1367 CD1 LEU A 85 2.316 -1.583 -0.890 1.00 65.33 C ATOM 1368 CD2 LEU A 85 4.474 -1.774 0.485 1.00 64.02 C ATOM 0 H LEU A 85 1.618 -0.594 3.322 1.00 42.35 H new ATOM 0 HA LEU A 85 4.321 0.296 2.492 1.00 63.04 H new ATOM 0 HB2 LEU A 85 1.692 0.295 0.937 1.00 1.44 H new ATOM 0 HB3 LEU A 85 3.268 0.741 0.313 1.00 1.44 H new ATOM 0 HG LEU A 85 2.475 -2.066 1.193 1.00 20.12 H new ATOM 0 HD11 LEU A 85 2.475 -2.608 -1.227 1.00 65.33 H new ATOM 0 HD12 LEU A 85 1.246 -1.386 -0.819 1.00 65.33 H new ATOM 0 HD13 LEU A 85 2.766 -0.893 -1.604 1.00 65.33 H new ATOM 0 HD21 LEU A 85 4.585 -2.798 0.128 1.00 64.02 H new ATOM 0 HD22 LEU A 85 5.018 -1.098 -0.175 1.00 64.02 H new ATOM 0 HD23 LEU A 85 4.876 -1.697 1.495 1.00 64.02 H new ATOM 1380 N SER A 86 3.689 2.779 2.642 1.00 0.11 N ATOM 1381 CA SER A 86 3.341 4.177 2.920 1.00 21.43 C ATOM 1382 C SER A 86 3.950 5.085 1.861 1.00 53.01 C ATOM 1383 O SER A 86 5.030 4.809 1.318 1.00 41.11 O ATOM 1384 CB SER A 86 3.779 4.611 4.338 1.00 33.33 C ATOM 1385 OG SER A 86 3.342 5.925 4.649 1.00 62.53 O ATOM 0 H SER A 86 4.649 2.639 2.326 1.00 0.11 H new ATOM 0 HA SER A 86 2.255 4.266 2.882 1.00 21.43 H new ATOM 0 HB2 SER A 86 3.377 3.912 5.072 1.00 33.33 H new ATOM 0 HB3 SER A 86 4.865 4.563 4.413 1.00 33.33 H new ATOM 0 HG SER A 86 2.432 6.056 4.309 1.00 62.53 H new ATOM 1391 N ALA A 87 3.228 6.166 1.588 1.00 71.41 N ATOM 1392 CA ALA A 87 3.620 7.204 0.635 1.00 12.20 C ATOM 1393 C ALA A 87 3.131 8.546 1.177 1.00 4.31 C ATOM 1394 O ALA A 87 2.207 8.582 1.988 1.00 63.24 O ATOM 1395 CB ALA A 87 3.022 6.909 -0.748 1.00 31.33 C ATOM 0 H ALA A 87 2.330 6.352 2.034 1.00 71.41 H new ATOM 0 HA ALA A 87 4.703 7.230 0.518 1.00 12.20 H new ATOM 0 HB1 ALA A 87 3.321 7.689 -1.448 1.00 31.33 H new ATOM 0 HB2 ALA A 87 3.385 5.944 -1.103 1.00 31.33 H new ATOM 0 HB3 ALA A 87 1.935 6.884 -0.676 1.00 31.33 H new ATOM 1401 N GLN A 88 3.750 9.634 0.740 1.00 13.31 N ATOM 1402 CA GLN A 88 3.424 10.974 1.227 1.00 43.41 C ATOM 1403 C GLN A 88 3.600 11.975 0.083 1.00 51.03 C ATOM 1404 O GLN A 88 4.704 12.148 -0.421 1.00 24.44 O ATOM 1405 CB GLN A 88 4.325 11.304 2.457 1.00 14.21 C ATOM 1406 CG GLN A 88 4.220 12.738 3.001 1.00 11.44 C ATOM 1407 CD GLN A 88 2.799 13.165 3.359 1.00 63.13 C ATOM 1408 OE1 GLN A 88 2.099 13.746 2.401 1.00 43.40 O flip ATOM 1409 NE2 GLN A 88 2.345 12.993 4.483 1.00 22.10 N flip ATOM 0 H GLN A 88 4.491 9.617 0.039 1.00 13.31 H new ATOM 0 HA GLN A 88 2.387 11.031 1.558 1.00 43.41 H new ATOM 0 HB2 GLN A 88 4.076 10.612 3.261 1.00 14.21 H new ATOM 0 HB3 GLN A 88 5.363 11.115 2.184 1.00 14.21 H new ATOM 0 HG2 GLN A 88 4.849 12.826 3.887 1.00 11.44 H new ATOM 0 HG3 GLN A 88 4.619 13.428 2.257 1.00 11.44 H new ATOM 0 HE21 GLN A 88 2.914 12.541 5.199 1.00 22.10 H new ATOM 0 HE22 GLN A 88 1.398 13.302 4.703 1.00 22.10 H new ATOM 1418 N ASP A 89 2.486 12.620 -0.331 1.00 54.52 N ATOM 1419 CA ASP A 89 2.472 13.515 -1.508 1.00 33.24 C ATOM 1420 C ASP A 89 2.604 14.995 -1.110 1.00 1.25 C ATOM 1421 O ASP A 89 2.622 15.342 0.081 1.00 71.31 O ATOM 1422 CB ASP A 89 1.189 13.257 -2.366 1.00 45.43 C ATOM 1423 CG ASP A 89 -0.028 14.111 -1.996 1.00 2.32 C ATOM 1424 OD1 ASP A 89 -0.499 14.040 -0.843 1.00 12.31 O ATOM 1425 OD2 ASP A 89 -0.496 14.880 -2.867 1.00 52.32 O ATOM 0 H ASP A 89 1.583 12.536 0.135 1.00 54.52 H new ATOM 0 HA ASP A 89 3.345 13.284 -2.118 1.00 33.24 H new ATOM 0 HB2 ASP A 89 1.431 13.433 -3.414 1.00 45.43 H new ATOM 0 HB3 ASP A 89 0.916 12.206 -2.275 1.00 45.43 H new ATOM 1430 N ASP A 90 2.636 15.857 -2.144 1.00 14.33 N ATOM 1431 CA ASP A 90 2.847 17.302 -2.009 1.00 73.24 C ATOM 1432 C ASP A 90 1.731 17.979 -1.186 1.00 32.31 C ATOM 1433 O ASP A 90 2.018 18.898 -0.418 1.00 31.43 O ATOM 1434 CB ASP A 90 2.909 17.929 -3.433 1.00 44.22 C ATOM 1435 CG ASP A 90 2.977 19.474 -3.427 1.00 41.23 C ATOM 1436 OD1 ASP A 90 4.077 20.041 -3.261 1.00 24.52 O ATOM 1437 OD2 ASP A 90 1.918 20.128 -3.566 1.00 32.10 O ATOM 0 H ASP A 90 2.513 15.559 -3.112 1.00 14.33 H new ATOM 0 HA ASP A 90 3.783 17.465 -1.474 1.00 73.24 H new ATOM 0 HB2 ASP A 90 3.782 17.537 -3.956 1.00 44.22 H new ATOM 0 HB3 ASP A 90 2.031 17.614 -3.998 1.00 44.22 H new ATOM 1442 N THR A 91 0.480 17.487 -1.294 1.00 23.21 N ATOM 1443 CA THR A 91 -0.676 18.133 -0.638 1.00 14.14 C ATOM 1444 C THR A 91 -0.688 17.847 0.874 1.00 73.33 C ATOM 1445 O THR A 91 -1.427 18.494 1.622 1.00 52.42 O ATOM 1446 CB THR A 91 -2.043 17.712 -1.279 1.00 42.00 C ATOM 1447 OG1 THR A 91 -2.329 16.341 -0.977 1.00 64.12 O ATOM 1448 CG2 THR A 91 -2.056 17.915 -2.810 1.00 1.03 C ATOM 0 H THR A 91 0.245 16.649 -1.826 1.00 23.21 H new ATOM 0 HA THR A 91 -0.558 19.205 -0.794 1.00 14.14 H new ATOM 0 HB THR A 91 -2.811 18.356 -0.850 1.00 42.00 H new ATOM 0 HG1 THR A 91 -1.489 15.850 -0.857 1.00 64.12 H new ATOM 0 HG21 THR A 91 -3.023 17.610 -3.209 1.00 1.03 H new ATOM 0 HG22 THR A 91 -1.884 18.967 -3.039 1.00 1.03 H new ATOM 0 HG23 THR A 91 -1.270 17.312 -3.264 1.00 1.03 H new ATOM 1456 N GLY A 92 0.143 16.879 1.312 1.00 4.42 N ATOM 1457 CA GLY A 92 0.275 16.556 2.732 1.00 2.21 C ATOM 1458 C GLY A 92 -0.627 15.414 3.161 1.00 14.54 C ATOM 1459 O GLY A 92 -0.932 15.271 4.352 1.00 52.04 O ATOM 0 H GLY A 92 0.728 16.313 0.697 1.00 4.42 H new ATOM 0 HA2 GLY A 92 1.311 16.294 2.946 1.00 2.21 H new ATOM 0 HA3 GLY A 92 0.041 17.440 3.325 1.00 2.21 H new ATOM 1463 N CYS A 93 -1.071 14.591 2.188 1.00 53.31 N ATOM 1464 CA CYS A 93 -1.818 13.367 2.487 1.00 74.13 C ATOM 1465 C CYS A 93 -0.829 12.229 2.798 1.00 14.10 C ATOM 1466 O CYS A 93 0.019 11.882 1.966 1.00 52.44 O ATOM 1467 CB CYS A 93 -2.743 12.977 1.320 1.00 31.35 C ATOM 1468 SG CYS A 93 -3.937 14.247 0.867 1.00 73.41 S ATOM 0 H CYS A 93 -0.922 14.758 1.193 1.00 53.31 H new ATOM 0 HA CYS A 93 -2.449 13.547 3.357 1.00 74.13 H new ATOM 0 HB2 CYS A 93 -2.131 12.742 0.449 1.00 31.35 H new ATOM 0 HB3 CYS A 93 -3.281 12.067 1.586 1.00 31.35 H new ATOM 0 HG CYS A 93 -3.365 15.127 0.100 1.00 73.41 H new ATOM 1474 N LEU A 94 -0.952 11.670 4.006 1.00 4.44 N ATOM 1475 CA LEU A 94 -0.157 10.531 4.460 1.00 42.32 C ATOM 1476 C LEU A 94 -0.944 9.267 4.091 1.00 71.53 C ATOM 1477 O LEU A 94 -2.032 9.065 4.615 1.00 40.05 O ATOM 1478 CB LEU A 94 0.072 10.652 6.005 1.00 61.13 C ATOM 1479 CG LEU A 94 1.227 9.803 6.646 1.00 40.40 C ATOM 1480 CD1 LEU A 94 0.937 8.289 6.585 1.00 2.05 C ATOM 1481 CD2 LEU A 94 2.596 10.137 6.005 1.00 11.53 C ATOM 0 H LEU A 94 -1.617 12.003 4.704 1.00 4.44 H new ATOM 0 HA LEU A 94 0.826 10.496 3.991 1.00 42.32 H new ATOM 0 HB2 LEU A 94 0.262 11.701 6.234 1.00 61.13 H new ATOM 0 HB3 LEU A 94 -0.859 10.380 6.503 1.00 61.13 H new ATOM 0 HG LEU A 94 1.275 10.078 7.700 1.00 40.40 H new ATOM 0 HD11 LEU A 94 1.763 7.742 7.040 1.00 2.05 H new ATOM 0 HD12 LEU A 94 0.016 8.073 7.127 1.00 2.05 H new ATOM 0 HD13 LEU A 94 0.827 7.981 5.545 1.00 2.05 H new ATOM 0 HD21 LEU A 94 3.373 9.532 6.472 1.00 11.53 H new ATOM 0 HD22 LEU A 94 2.560 9.921 4.937 1.00 11.53 H new ATOM 0 HD23 LEU A 94 2.820 11.193 6.154 1.00 11.53 H new ATOM 1493 N PHE A 95 -0.372 8.434 3.220 1.00 1.44 N ATOM 1494 CA PHE A 95 -1.036 7.242 2.657 1.00 50.03 C ATOM 1495 C PHE A 95 -0.523 5.984 3.353 1.00 43.51 C ATOM 1496 O PHE A 95 0.687 5.798 3.470 1.00 20.10 O ATOM 1497 CB PHE A 95 -0.769 7.128 1.136 1.00 44.43 C ATOM 1498 CG PHE A 95 -1.368 8.262 0.303 1.00 44.42 C ATOM 1499 CD1 PHE A 95 -2.690 8.199 -0.143 1.00 41.41 C ATOM 1500 CD2 PHE A 95 -0.617 9.387 -0.032 1.00 64.21 C ATOM 1501 CE1 PHE A 95 -3.235 9.218 -0.895 1.00 1.12 C ATOM 1502 CE2 PHE A 95 -1.164 10.405 -0.784 1.00 53.20 C ATOM 1503 CZ PHE A 95 -2.473 10.321 -1.214 1.00 23.11 C ATOM 0 H PHE A 95 0.580 8.565 2.877 1.00 1.44 H new ATOM 0 HA PHE A 95 -2.109 7.343 2.819 1.00 50.03 H new ATOM 0 HB2 PHE A 95 0.308 7.101 0.969 1.00 44.43 H new ATOM 0 HB3 PHE A 95 -1.171 6.180 0.779 1.00 44.43 H new ATOM 0 HD1 PHE A 95 -3.295 7.339 0.105 1.00 41.41 H new ATOM 0 HD2 PHE A 95 0.407 9.463 0.302 1.00 64.21 H new ATOM 0 HE1 PHE A 95 -4.258 9.152 -1.234 1.00 1.12 H new ATOM 0 HE2 PHE A 95 -0.568 11.269 -1.037 1.00 53.20 H new ATOM 0 HZ PHE A 95 -2.900 11.120 -1.801 1.00 23.11 H new ATOM 1513 N LEU A 96 -1.453 5.131 3.807 1.00 53.44 N ATOM 1514 CA LEU A 96 -1.148 3.822 4.411 1.00 13.32 C ATOM 1515 C LEU A 96 -1.857 2.730 3.583 1.00 35.41 C ATOM 1516 O LEU A 96 -3.048 2.842 3.312 1.00 71.32 O ATOM 1517 CB LEU A 96 -1.648 3.787 5.883 1.00 45.14 C ATOM 1518 CG LEU A 96 -1.167 4.947 6.807 1.00 5.45 C ATOM 1519 CD1 LEU A 96 -1.961 4.979 8.127 1.00 55.35 C ATOM 1520 CD2 LEU A 96 0.351 4.868 7.076 1.00 20.34 C ATOM 0 H LEU A 96 -2.452 5.332 3.765 1.00 53.44 H new ATOM 0 HA LEU A 96 -0.072 3.650 4.411 1.00 13.32 H new ATOM 0 HB2 LEU A 96 -2.738 3.788 5.874 1.00 45.14 H new ATOM 0 HB3 LEU A 96 -1.334 2.843 6.328 1.00 45.14 H new ATOM 0 HG LEU A 96 -1.359 5.881 6.279 1.00 5.45 H new ATOM 0 HD11 LEU A 96 -1.601 5.799 8.748 1.00 55.35 H new ATOM 0 HD12 LEU A 96 -3.020 5.125 7.911 1.00 55.35 H new ATOM 0 HD13 LEU A 96 -1.825 4.036 8.656 1.00 55.35 H new ATOM 0 HD21 LEU A 96 0.649 5.693 7.723 1.00 20.34 H new ATOM 0 HD22 LEU A 96 0.585 3.921 7.563 1.00 20.34 H new ATOM 0 HD23 LEU A 96 0.892 4.934 6.132 1.00 20.34 H new ATOM 1532 N THR A 97 -1.123 1.704 3.158 1.00 60.33 N ATOM 1533 CA THR A 97 -1.658 0.596 2.348 1.00 44.15 C ATOM 1534 C THR A 97 -1.301 -0.756 2.991 1.00 33.24 C ATOM 1535 O THR A 97 -0.238 -0.902 3.584 1.00 11.51 O ATOM 1536 CB THR A 97 -1.097 0.669 0.885 1.00 32.12 C ATOM 1537 OG1 THR A 97 -1.314 1.989 0.354 1.00 43.41 O ATOM 1538 CG2 THR A 97 -1.747 -0.372 -0.060 1.00 0.20 C ATOM 0 H THR A 97 -0.129 1.611 3.365 1.00 60.33 H new ATOM 0 HA THR A 97 -2.743 0.687 2.308 1.00 44.15 H new ATOM 0 HB THR A 97 -0.032 0.441 0.938 1.00 32.12 H new ATOM 0 HG1 THR A 97 -0.934 2.045 -0.548 1.00 43.41 H new ATOM 0 HG21 THR A 97 -1.320 -0.274 -1.058 1.00 0.20 H new ATOM 0 HG22 THR A 97 -1.557 -1.376 0.319 1.00 0.20 H new ATOM 0 HG23 THR A 97 -2.822 -0.199 -0.107 1.00 0.20 H new ATOM 1546 N GLU A 98 -2.220 -1.721 2.886 1.00 41.42 N ATOM 1547 CA GLU A 98 -2.025 -3.092 3.367 1.00 1.31 C ATOM 1548 C GLU A 98 -2.274 -4.066 2.209 1.00 51.14 C ATOM 1549 O GLU A 98 -3.366 -4.085 1.633 1.00 13.21 O ATOM 1550 CB GLU A 98 -3.002 -3.367 4.540 1.00 4.03 C ATOM 1551 CG GLU A 98 -2.968 -4.790 5.121 1.00 23.33 C ATOM 1552 CD GLU A 98 -4.061 -5.036 6.186 1.00 35.23 C ATOM 1553 OE1 GLU A 98 -5.199 -5.392 5.812 1.00 33.51 O ATOM 1554 OE2 GLU A 98 -3.786 -4.885 7.393 1.00 25.15 O ATOM 0 H GLU A 98 -3.133 -1.569 2.458 1.00 41.42 H new ATOM 0 HA GLU A 98 -1.005 -3.227 3.727 1.00 1.31 H new ATOM 0 HB2 GLU A 98 -2.784 -2.662 5.342 1.00 4.03 H new ATOM 0 HB3 GLU A 98 -4.016 -3.158 4.200 1.00 4.03 H new ATOM 0 HG2 GLU A 98 -3.089 -5.510 4.311 1.00 23.33 H new ATOM 0 HG3 GLU A 98 -1.989 -4.972 5.565 1.00 23.33 H new ATOM 1561 N LEU A 99 -1.244 -4.853 1.863 1.00 31.25 N ATOM 1562 CA LEU A 99 -1.353 -5.937 0.877 1.00 63.31 C ATOM 1563 C LEU A 99 -1.486 -7.253 1.641 1.00 1.44 C ATOM 1564 O LEU A 99 -0.728 -7.485 2.575 1.00 10.54 O ATOM 1565 CB LEU A 99 -0.097 -6.007 -0.032 1.00 23.42 C ATOM 1566 CG LEU A 99 0.280 -4.719 -0.829 1.00 44.54 C ATOM 1567 CD1 LEU A 99 1.475 -4.991 -1.779 1.00 22.54 C ATOM 1568 CD2 LEU A 99 -0.933 -4.140 -1.601 1.00 15.50 C ATOM 0 H LEU A 99 -0.310 -4.755 2.261 1.00 31.25 H new ATOM 0 HA LEU A 99 -2.219 -5.753 0.241 1.00 63.31 H new ATOM 0 HB2 LEU A 99 0.755 -6.281 0.590 1.00 23.42 H new ATOM 0 HB3 LEU A 99 -0.243 -6.816 -0.747 1.00 23.42 H new ATOM 0 HG LEU A 99 0.586 -3.963 -0.106 1.00 44.54 H new ATOM 0 HD11 LEU A 99 1.721 -4.080 -2.325 1.00 22.54 H new ATOM 0 HD12 LEU A 99 2.339 -5.309 -1.195 1.00 22.54 H new ATOM 0 HD13 LEU A 99 1.206 -5.776 -2.486 1.00 22.54 H new ATOM 0 HD21 LEU A 99 -0.626 -3.245 -2.142 1.00 15.50 H new ATOM 0 HD22 LEU A 99 -1.302 -4.883 -2.308 1.00 15.50 H new ATOM 0 HD23 LEU A 99 -1.725 -3.885 -0.896 1.00 15.50 H new ATOM 1580 N LEU A 100 -2.459 -8.093 1.261 1.00 1.42 N ATOM 1581 CA LEU A 100 -2.697 -9.380 1.935 1.00 41.03 C ATOM 1582 C LEU A 100 -2.931 -10.503 0.909 1.00 54.14 C ATOM 1583 O LEU A 100 -4.000 -10.591 0.326 1.00 62.54 O ATOM 1584 CB LEU A 100 -3.896 -9.234 2.910 1.00 54.31 C ATOM 1585 CG LEU A 100 -4.278 -10.501 3.736 1.00 3.31 C ATOM 1586 CD1 LEU A 100 -3.100 -11.000 4.612 1.00 15.24 C ATOM 1587 CD2 LEU A 100 -5.533 -10.226 4.590 1.00 62.15 C ATOM 0 H LEU A 100 -3.097 -7.904 0.488 1.00 1.42 H new ATOM 0 HA LEU A 100 -1.813 -9.656 2.510 1.00 41.03 H new ATOM 0 HB2 LEU A 100 -3.673 -8.426 3.607 1.00 54.31 H new ATOM 0 HB3 LEU A 100 -4.769 -8.926 2.334 1.00 54.31 H new ATOM 0 HG LEU A 100 -4.507 -11.301 3.031 1.00 3.31 H new ATOM 0 HD11 LEU A 100 -3.410 -11.884 5.170 1.00 15.24 H new ATOM 0 HD12 LEU A 100 -2.253 -11.253 3.974 1.00 15.24 H new ATOM 0 HD13 LEU A 100 -2.807 -10.215 5.309 1.00 15.24 H new ATOM 0 HD21 LEU A 100 -5.788 -11.119 5.161 1.00 62.15 H new ATOM 0 HD22 LEU A 100 -5.333 -9.402 5.275 1.00 62.15 H new ATOM 0 HD23 LEU A 100 -6.366 -9.962 3.938 1.00 62.15 H new ATOM 1599 N LEU A 101 -1.945 -11.402 0.744 1.00 51.24 N ATOM 1600 CA LEU A 101 -2.012 -12.516 -0.203 1.00 41.22 C ATOM 1601 C LEU A 101 -2.537 -13.737 0.566 1.00 64.21 C ATOM 1602 O LEU A 101 -1.859 -14.239 1.469 1.00 73.52 O ATOM 1603 CB LEU A 101 -0.609 -12.809 -0.812 1.00 23.22 C ATOM 1604 CG LEU A 101 -0.495 -14.081 -1.720 1.00 43.04 C ATOM 1605 CD1 LEU A 101 -1.394 -13.973 -2.975 1.00 73.41 C ATOM 1606 CD2 LEU A 101 0.985 -14.366 -2.098 1.00 24.22 C ATOM 0 H LEU A 101 -1.073 -11.371 1.272 1.00 51.24 H new ATOM 0 HA LEU A 101 -2.675 -12.272 -1.033 1.00 41.22 H new ATOM 0 HB2 LEU A 101 -0.303 -11.942 -1.398 1.00 23.22 H new ATOM 0 HB3 LEU A 101 0.105 -12.908 0.006 1.00 23.22 H new ATOM 0 HG LEU A 101 -0.859 -14.931 -1.142 1.00 43.04 H new ATOM 0 HD11 LEU A 101 -1.286 -14.874 -3.578 1.00 73.41 H new ATOM 0 HD12 LEU A 101 -2.434 -13.863 -2.669 1.00 73.41 H new ATOM 0 HD13 LEU A 101 -1.095 -13.105 -3.563 1.00 73.41 H new ATOM 0 HD21 LEU A 101 1.035 -15.254 -2.728 1.00 24.22 H new ATOM 0 HD22 LEU A 101 1.393 -13.513 -2.640 1.00 24.22 H new ATOM 0 HD23 LEU A 101 1.567 -14.531 -1.191 1.00 24.22 H new ATOM 1618 N GLU A 102 -3.753 -14.166 0.196 1.00 22.21 N ATOM 1619 CA GLU A 102 -4.504 -15.243 0.865 1.00 25.13 C ATOM 1620 C GLU A 102 -3.743 -16.594 0.819 1.00 21.23 C ATOM 1621 O GLU A 102 -2.969 -16.814 -0.111 1.00 0.24 O ATOM 1622 CB GLU A 102 -5.898 -15.370 0.194 1.00 54.21 C ATOM 1623 CG GLU A 102 -6.734 -14.072 0.240 1.00 72.14 C ATOM 1624 CD GLU A 102 -8.168 -14.243 -0.286 1.00 50.13 C ATOM 1625 OE1 GLU A 102 -8.892 -15.130 0.229 1.00 51.14 O ATOM 1626 OE2 GLU A 102 -8.598 -13.480 -1.176 1.00 62.22 O ATOM 0 H GLU A 102 -4.255 -13.765 -0.596 1.00 22.21 H new ATOM 0 HA GLU A 102 -4.621 -14.988 1.918 1.00 25.13 H new ATOM 0 HB2 GLU A 102 -5.764 -15.668 -0.846 1.00 54.21 H new ATOM 0 HB3 GLU A 102 -6.456 -16.168 0.685 1.00 54.21 H new ATOM 0 HG2 GLU A 102 -6.774 -13.712 1.268 1.00 72.14 H new ATOM 0 HG3 GLU A 102 -6.230 -13.304 -0.347 1.00 72.14 H new ATOM 1633 N PRO A 103 -3.942 -17.511 1.833 1.00 14.04 N ATOM 1634 CA PRO A 103 -3.236 -18.816 1.894 1.00 4.43 C ATOM 1635 C PRO A 103 -3.617 -19.756 0.731 1.00 15.20 C ATOM 1636 O PRO A 103 -2.754 -20.191 -0.035 1.00 24.35 O ATOM 1637 CB PRO A 103 -3.667 -19.411 3.273 1.00 45.01 C ATOM 1638 CG PRO A 103 -4.241 -18.259 4.030 1.00 71.41 C ATOM 1639 CD PRO A 103 -4.846 -17.342 2.997 1.00 72.50 C ATOM 0 HA PRO A 103 -2.157 -18.696 1.799 1.00 4.43 H new ATOM 0 HB2 PRO A 103 -4.402 -20.206 3.147 1.00 45.01 H new ATOM 0 HB3 PRO A 103 -2.816 -19.844 3.799 1.00 45.01 H new ATOM 0 HG2 PRO A 103 -4.995 -18.596 4.741 1.00 71.41 H new ATOM 0 HG3 PRO A 103 -3.469 -17.745 4.603 1.00 71.41 H new ATOM 0 HD2 PRO A 103 -5.871 -17.625 2.757 1.00 72.50 H new ATOM 0 HD3 PRO A 103 -4.873 -16.308 3.341 1.00 72.50 H new ATOM 1647 N GLY A 104 -4.924 -20.036 0.606 1.00 44.04 N ATOM 1648 CA GLY A 104 -5.442 -20.963 -0.404 1.00 21.15 C ATOM 1649 C GLY A 104 -5.718 -20.287 -1.739 1.00 4.21 C ATOM 1650 O GLY A 104 -5.534 -20.888 -2.801 1.00 20.51 O ATOM 0 H GLY A 104 -5.645 -19.627 1.200 1.00 44.04 H new ATOM 0 HA2 GLY A 104 -4.724 -21.770 -0.552 1.00 21.15 H new ATOM 0 HA3 GLY A 104 -6.361 -21.418 -0.035 1.00 21.15 H new ATOM 1654 N ASN A 105 -6.162 -19.031 -1.675 1.00 32.40 N ATOM 1655 CA ASN A 105 -6.521 -18.244 -2.869 1.00 71.40 C ATOM 1656 C ASN A 105 -5.298 -17.478 -3.393 1.00 11.05 C ATOM 1657 O ASN A 105 -4.510 -16.935 -2.611 1.00 43.53 O ATOM 1658 CB ASN A 105 -7.675 -17.260 -2.548 1.00 63.10 C ATOM 1659 CG ASN A 105 -9.018 -17.959 -2.371 1.00 12.30 C ATOM 1660 OD1 ASN A 105 -9.357 -18.412 -1.277 1.00 15.11 O ATOM 1661 ND2 ASN A 105 -9.801 -18.029 -3.439 1.00 52.02 N ATOM 0 H ASN A 105 -6.285 -18.526 -0.798 1.00 32.40 H new ATOM 0 HA ASN A 105 -6.860 -18.932 -3.644 1.00 71.40 H new ATOM 0 HB2 ASN A 105 -7.434 -16.710 -1.638 1.00 63.10 H new ATOM 0 HB3 ASN A 105 -7.755 -16.528 -3.351 1.00 63.10 H new ATOM 0 HD21 ASN A 105 -10.718 -18.469 -3.371 1.00 52.02 H new ATOM 0 HD22 ASN A 105 -9.486 -17.642 -4.329 1.00 52.02 H new ATOM 1668 N SER A 106 -5.160 -17.436 -4.727 1.00 22.11 N ATOM 1669 CA SER A 106 -4.124 -16.660 -5.424 1.00 34.24 C ATOM 1670 C SER A 106 -4.616 -15.212 -5.605 1.00 11.21 C ATOM 1671 O SER A 106 -4.618 -14.672 -6.704 1.00 53.11 O ATOM 1672 CB SER A 106 -3.820 -17.334 -6.792 1.00 74.52 C ATOM 1673 OG SER A 106 -3.545 -18.722 -6.648 1.00 64.24 O ATOM 0 H SER A 106 -5.774 -17.948 -5.361 1.00 22.11 H new ATOM 0 HA SER A 106 -3.203 -16.637 -4.842 1.00 34.24 H new ATOM 0 HB2 SER A 106 -4.671 -17.200 -7.460 1.00 74.52 H new ATOM 0 HB3 SER A 106 -2.967 -16.841 -7.258 1.00 74.52 H new ATOM 0 HG SER A 106 -3.360 -19.112 -7.528 1.00 64.24 H new ATOM 1679 N GLU A 107 -5.029 -14.590 -4.500 1.00 10.32 N ATOM 1680 CA GLU A 107 -5.670 -13.269 -4.500 1.00 20.45 C ATOM 1681 C GLU A 107 -5.002 -12.404 -3.430 1.00 51.55 C ATOM 1682 O GLU A 107 -4.616 -12.908 -2.375 1.00 11.43 O ATOM 1683 CB GLU A 107 -7.211 -13.390 -4.228 1.00 32.22 C ATOM 1684 CG GLU A 107 -8.116 -13.561 -5.476 1.00 21.41 C ATOM 1685 CD GLU A 107 -7.902 -14.849 -6.287 1.00 2.10 C ATOM 1686 OE1 GLU A 107 -8.194 -15.955 -5.770 1.00 3.10 O ATOM 1687 OE2 GLU A 107 -7.452 -14.769 -7.456 1.00 22.30 O ATOM 0 H GLU A 107 -4.928 -14.992 -3.568 1.00 10.32 H new ATOM 0 HA GLU A 107 -5.548 -12.807 -5.480 1.00 20.45 H new ATOM 0 HB2 GLU A 107 -7.376 -14.240 -3.566 1.00 32.22 H new ATOM 0 HB3 GLU A 107 -7.535 -12.499 -3.690 1.00 32.22 H new ATOM 0 HG2 GLU A 107 -9.157 -13.526 -5.154 1.00 21.41 H new ATOM 0 HG3 GLU A 107 -7.957 -12.708 -6.136 1.00 21.41 H new ATOM 1694 N MET A 108 -4.886 -11.104 -3.707 1.00 64.22 N ATOM 1695 CA MET A 108 -4.309 -10.135 -2.779 1.00 71.45 C ATOM 1696 C MET A 108 -5.371 -9.081 -2.459 1.00 33.42 C ATOM 1697 O MET A 108 -6.053 -8.596 -3.357 1.00 73.04 O ATOM 1698 CB MET A 108 -3.025 -9.493 -3.373 1.00 34.31 C ATOM 1699 CG MET A 108 -2.316 -8.510 -2.428 1.00 5.31 C ATOM 1700 SD MET A 108 -0.736 -7.910 -3.081 1.00 33.03 S ATOM 1701 CE MET A 108 0.252 -9.409 -3.078 1.00 24.02 C ATOM 0 H MET A 108 -5.193 -10.693 -4.589 1.00 64.22 H new ATOM 0 HA MET A 108 -4.010 -10.635 -1.858 1.00 71.45 H new ATOM 0 HB2 MET A 108 -2.328 -10.286 -3.644 1.00 34.31 H new ATOM 0 HB3 MET A 108 -3.286 -8.970 -4.293 1.00 34.31 H new ATOM 0 HG2 MET A 108 -2.971 -7.659 -2.240 1.00 5.31 H new ATOM 0 HG3 MET A 108 -2.144 -8.998 -1.469 1.00 5.31 H new ATOM 0 HE1 MET A 108 1.293 -9.159 -3.284 1.00 24.02 H new ATOM 0 HE2 MET A 108 0.181 -9.890 -2.102 1.00 24.02 H new ATOM 0 HE3 MET A 108 -0.117 -10.089 -3.846 1.00 24.02 H new ATOM 1711 N GLN A 109 -5.526 -8.752 -1.175 1.00 74.43 N ATOM 1712 CA GLN A 109 -6.497 -7.768 -0.701 1.00 61.13 C ATOM 1713 C GLN A 109 -5.743 -6.462 -0.424 1.00 52.41 C ATOM 1714 O GLN A 109 -4.771 -6.456 0.344 1.00 74.32 O ATOM 1715 CB GLN A 109 -7.199 -8.303 0.573 1.00 44.21 C ATOM 1716 CG GLN A 109 -7.923 -9.652 0.361 1.00 1.42 C ATOM 1717 CD GLN A 109 -8.565 -10.213 1.631 1.00 23.32 C ATOM 1718 OE1 GLN A 109 -7.818 -11.013 2.371 1.00 22.15 O flip ATOM 1719 NE2 GLN A 109 -9.726 -9.939 1.942 1.00 32.21 N flip ATOM 0 H GLN A 109 -4.972 -9.168 -0.426 1.00 74.43 H new ATOM 0 HA GLN A 109 -7.270 -7.585 -1.447 1.00 61.13 H new ATOM 0 HB2 GLN A 109 -6.458 -8.418 1.364 1.00 44.21 H new ATOM 0 HB3 GLN A 109 -7.921 -7.563 0.918 1.00 44.21 H new ATOM 0 HG2 GLN A 109 -8.694 -9.525 -0.399 1.00 1.42 H new ATOM 0 HG3 GLN A 109 -7.210 -10.380 -0.027 1.00 1.42 H new ATOM 0 HE21 GLN A 109 -10.279 -9.318 1.351 1.00 32.21 H new ATOM 0 HE22 GLN A 109 -10.133 -10.333 2.790 1.00 32.21 H new ATOM 1728 N ILE A 110 -6.169 -5.378 -1.090 1.00 70.34 N ATOM 1729 CA ILE A 110 -5.512 -4.063 -1.030 1.00 35.14 C ATOM 1730 C ILE A 110 -6.397 -3.134 -0.194 1.00 50.23 C ATOM 1731 O ILE A 110 -7.542 -2.875 -0.561 1.00 61.44 O ATOM 1732 CB ILE A 110 -5.274 -3.441 -2.480 1.00 45.42 C ATOM 1733 CG1 ILE A 110 -4.193 -4.238 -3.298 1.00 11.13 C ATOM 1734 CG2 ILE A 110 -4.872 -1.943 -2.394 1.00 70.25 C ATOM 1735 CD1 ILE A 110 -4.538 -5.671 -3.671 1.00 70.32 C ATOM 0 H ILE A 110 -6.991 -5.390 -1.694 1.00 70.34 H new ATOM 0 HA ILE A 110 -4.528 -4.178 -0.576 1.00 35.14 H new ATOM 0 HB ILE A 110 -6.224 -3.522 -3.009 1.00 45.42 H new ATOM 0 HG12 ILE A 110 -3.987 -3.688 -4.216 1.00 11.13 H new ATOM 0 HG13 ILE A 110 -3.269 -4.250 -2.720 1.00 11.13 H new ATOM 0 HG21 ILE A 110 -4.717 -1.550 -3.399 1.00 70.25 H new ATOM 0 HG22 ILE A 110 -5.666 -1.381 -1.902 1.00 70.25 H new ATOM 0 HG23 ILE A 110 -3.950 -1.846 -1.820 1.00 70.25 H new ATOM 0 HD11 ILE A 110 -3.713 -6.110 -4.232 1.00 70.32 H new ATOM 0 HD12 ILE A 110 -4.710 -6.252 -2.765 1.00 70.32 H new ATOM 0 HD13 ILE A 110 -5.439 -5.680 -4.284 1.00 70.32 H new ATOM 1747 N SER A 111 -5.874 -2.658 0.932 1.00 11.14 N ATOM 1748 CA SER A 111 -6.585 -1.737 1.816 1.00 22.11 C ATOM 1749 C SER A 111 -5.859 -0.386 1.791 1.00 52.21 C ATOM 1750 O SER A 111 -4.739 -0.271 2.285 1.00 40.10 O ATOM 1751 CB SER A 111 -6.645 -2.325 3.237 1.00 23.10 C ATOM 1752 OG SER A 111 -7.476 -1.547 4.089 1.00 43.04 O ATOM 0 H SER A 111 -4.939 -2.901 1.260 1.00 11.14 H new ATOM 0 HA SER A 111 -7.611 -1.590 1.479 1.00 22.11 H new ATOM 0 HB2 SER A 111 -7.022 -3.347 3.193 1.00 23.10 H new ATOM 0 HB3 SER A 111 -5.639 -2.374 3.654 1.00 23.10 H new ATOM 0 HG SER A 111 -6.935 -1.159 4.808 1.00 43.04 H new ATOM 1758 N VAL A 112 -6.499 0.619 1.183 1.00 21.20 N ATOM 1759 CA VAL A 112 -5.976 1.987 1.081 1.00 10.45 C ATOM 1760 C VAL A 112 -6.661 2.836 2.161 1.00 54.22 C ATOM 1761 O VAL A 112 -7.888 2.910 2.215 1.00 72.24 O ATOM 1762 CB VAL A 112 -6.256 2.617 -0.342 1.00 34.12 C ATOM 1763 CG1 VAL A 112 -5.617 4.024 -0.468 1.00 42.22 C ATOM 1764 CG2 VAL A 112 -5.776 1.675 -1.475 1.00 45.22 C ATOM 0 H VAL A 112 -7.411 0.503 0.740 1.00 21.20 H new ATOM 0 HA VAL A 112 -4.895 1.965 1.221 1.00 10.45 H new ATOM 0 HB VAL A 112 -7.334 2.736 -0.447 1.00 34.12 H new ATOM 0 HG11 VAL A 112 -5.826 4.432 -1.457 1.00 42.22 H new ATOM 0 HG12 VAL A 112 -6.036 4.683 0.292 1.00 42.22 H new ATOM 0 HG13 VAL A 112 -4.539 3.948 -0.328 1.00 42.22 H new ATOM 0 HG21 VAL A 112 -5.982 2.135 -2.442 1.00 45.22 H new ATOM 0 HG22 VAL A 112 -4.704 1.503 -1.376 1.00 45.22 H new ATOM 0 HG23 VAL A 112 -6.304 0.724 -1.406 1.00 45.22 H new ATOM 1774 N LYS A 113 -5.861 3.424 3.038 1.00 51.42 N ATOM 1775 CA LYS A 113 -6.327 4.225 4.165 1.00 2.02 C ATOM 1776 C LYS A 113 -5.329 5.364 4.378 1.00 73.40 C ATOM 1777 O LYS A 113 -4.221 5.135 4.844 1.00 71.21 O ATOM 1778 CB LYS A 113 -6.401 3.293 5.413 1.00 74.40 C ATOM 1779 CG LYS A 113 -6.579 3.987 6.769 1.00 53.34 C ATOM 1780 CD LYS A 113 -6.472 3.002 7.961 1.00 21.12 C ATOM 1781 CE LYS A 113 -7.494 1.853 7.909 1.00 41.03 C ATOM 1782 NZ LYS A 113 -7.435 0.989 9.118 1.00 24.35 N ATOM 0 H LYS A 113 -4.845 3.357 2.986 1.00 51.42 H new ATOM 0 HA LYS A 113 -7.313 4.654 3.987 1.00 2.02 H new ATOM 0 HB2 LYS A 113 -7.229 2.598 5.273 1.00 74.40 H new ATOM 0 HB3 LYS A 113 -5.489 2.698 5.450 1.00 74.40 H new ATOM 0 HG2 LYS A 113 -5.824 4.765 6.877 1.00 53.34 H new ATOM 0 HG3 LYS A 113 -7.551 4.480 6.796 1.00 53.34 H new ATOM 0 HD2 LYS A 113 -5.467 2.581 7.984 1.00 21.12 H new ATOM 0 HD3 LYS A 113 -6.607 3.555 8.891 1.00 21.12 H new ATOM 0 HE2 LYS A 113 -8.498 2.267 7.810 1.00 41.03 H new ATOM 0 HE3 LYS A 113 -7.310 1.246 7.022 1.00 41.03 H new ATOM 0 HZ1 LYS A 113 -8.369 0.563 9.286 1.00 24.35 H new ATOM 0 HZ2 LYS A 113 -6.732 0.236 8.973 1.00 24.35 H new ATOM 0 HZ3 LYS A 113 -7.163 1.563 9.942 1.00 24.35 H new ATOM 1796 N GLN A 114 -5.703 6.590 4.004 1.00 35.31 N ATOM 1797 CA GLN A 114 -4.873 7.777 4.247 1.00 41.04 C ATOM 1798 C GLN A 114 -5.467 8.632 5.370 1.00 54.34 C ATOM 1799 O GLN A 114 -6.600 8.405 5.806 1.00 74.55 O ATOM 1800 CB GLN A 114 -4.656 8.616 2.949 1.00 3.33 C ATOM 1801 CG GLN A 114 -5.929 9.108 2.222 1.00 24.45 C ATOM 1802 CD GLN A 114 -6.505 8.125 1.199 1.00 32.14 C ATOM 1803 OE1 GLN A 114 -6.402 6.908 1.332 1.00 74.54 O ATOM 1804 NE2 GLN A 114 -7.113 8.652 0.154 1.00 41.05 N ATOM 0 H GLN A 114 -6.583 6.789 3.528 1.00 35.31 H new ATOM 0 HA GLN A 114 -3.890 7.430 4.566 1.00 41.04 H new ATOM 0 HB2 GLN A 114 -4.051 9.486 3.203 1.00 3.33 H new ATOM 0 HB3 GLN A 114 -4.074 8.016 2.249 1.00 3.33 H new ATOM 0 HG2 GLN A 114 -6.695 9.326 2.967 1.00 24.45 H new ATOM 0 HG3 GLN A 114 -5.701 10.046 1.715 1.00 24.45 H new ATOM 0 HE21 GLN A 114 -7.187 9.665 0.064 1.00 41.05 H new ATOM 0 HE22 GLN A 114 -7.509 8.046 -0.564 1.00 41.05 H new ATOM 1813 N ASN A 115 -4.675 9.620 5.824 1.00 41.13 N ATOM 1814 CA ASN A 115 -5.020 10.498 6.971 1.00 70.22 C ATOM 1815 C ASN A 115 -6.299 11.321 6.681 1.00 54.41 C ATOM 1816 O ASN A 115 -7.125 11.539 7.567 1.00 13.23 O ATOM 1817 CB ASN A 115 -3.811 11.418 7.329 1.00 71.45 C ATOM 1818 CG ASN A 115 -3.507 12.528 6.305 1.00 53.32 C ATOM 1819 OD1 ASN A 115 -3.686 12.266 5.010 1.00 62.51 O flip ATOM 1820 ND2 ASN A 115 -3.080 13.613 6.673 1.00 24.42 N flip ATOM 0 H ASN A 115 -3.770 9.838 5.407 1.00 41.13 H new ATOM 0 HA ASN A 115 -5.234 9.870 7.836 1.00 70.22 H new ATOM 0 HB2 ASN A 115 -4.001 11.881 8.297 1.00 71.45 H new ATOM 0 HB3 ASN A 115 -2.923 10.796 7.442 1.00 71.45 H new ATOM 0 HD21 ASN A 115 -2.948 13.799 7.667 1.00 24.42 H new ATOM 0 HD22 ASN A 115 -2.855 14.332 5.986 1.00 24.42 H new ATOM 1827 N GLU A 116 -6.439 11.753 5.414 1.00 65.02 N ATOM 1828 CA GLU A 116 -7.603 12.486 4.898 1.00 13.31 C ATOM 1829 C GLU A 116 -7.805 12.028 3.451 1.00 60.11 C ATOM 1830 O GLU A 116 -6.892 12.173 2.635 1.00 33.13 O ATOM 1831 CB GLU A 116 -7.371 14.029 4.939 1.00 11.24 C ATOM 1832 CG GLU A 116 -7.170 14.624 6.350 1.00 3.45 C ATOM 1833 CD GLU A 116 -6.870 16.134 6.339 1.00 74.03 C ATOM 1834 OE1 GLU A 116 -7.814 16.931 6.217 1.00 13.42 O ATOM 1835 OE2 GLU A 116 -5.686 16.524 6.433 1.00 10.32 O ATOM 0 H GLU A 116 -5.724 11.596 4.704 1.00 65.02 H new ATOM 0 HA GLU A 116 -8.479 12.280 5.513 1.00 13.31 H new ATOM 0 HB2 GLU A 116 -6.496 14.265 4.334 1.00 11.24 H new ATOM 0 HB3 GLU A 116 -8.224 14.522 4.472 1.00 11.24 H new ATOM 0 HG2 GLU A 116 -8.066 14.443 6.944 1.00 3.45 H new ATOM 0 HG3 GLU A 116 -6.350 14.102 6.843 1.00 3.45 H new ATOM 1842 N ALA A 117 -8.962 11.428 3.151 1.00 62.00 N ATOM 1843 CA ALA A 117 -9.270 10.904 1.809 1.00 64.23 C ATOM 1844 C ALA A 117 -9.869 12.006 0.920 1.00 55.13 C ATOM 1845 O ALA A 117 -10.921 12.560 1.242 1.00 5.34 O ATOM 1846 CB ALA A 117 -10.219 9.697 1.912 1.00 52.24 C ATOM 0 H ALA A 117 -9.712 11.290 3.828 1.00 62.00 H new ATOM 0 HA ALA A 117 -8.343 10.569 1.344 1.00 64.23 H new ATOM 0 HB1 ALA A 117 -10.438 9.320 0.913 1.00 52.24 H new ATOM 0 HB2 ALA A 117 -9.746 8.911 2.501 1.00 52.24 H new ATOM 0 HB3 ALA A 117 -11.147 10.004 2.396 1.00 52.24 H new ATOM 1852 N ARG A 118 -9.175 12.337 -0.178 1.00 64.40 N ATOM 1853 CA ARG A 118 -9.690 13.240 -1.220 1.00 43.12 C ATOM 1854 C ARG A 118 -10.007 12.397 -2.461 1.00 73.43 C ATOM 1855 O ARG A 118 -9.404 11.340 -2.638 1.00 64.25 O ATOM 1856 CB ARG A 118 -8.631 14.319 -1.525 1.00 44.55 C ATOM 1857 CG ARG A 118 -8.966 15.262 -2.685 1.00 21.34 C ATOM 1858 CD ARG A 118 -7.846 16.269 -2.956 1.00 32.32 C ATOM 1859 NE ARG A 118 -8.154 17.132 -4.103 1.00 33.12 N ATOM 1860 CZ ARG A 118 -7.278 17.520 -5.035 1.00 61.12 C ATOM 1861 NH1 ARG A 118 -6.010 17.112 -4.996 1.00 1.31 N ATOM 1862 NH2 ARG A 118 -7.682 18.325 -6.000 1.00 63.21 N ATOM 0 H ARG A 118 -8.237 11.985 -0.370 1.00 64.40 H new ATOM 0 HA ARG A 118 -10.598 13.747 -0.893 1.00 43.12 H new ATOM 0 HB2 ARG A 118 -8.477 14.917 -0.627 1.00 44.55 H new ATOM 0 HB3 ARG A 118 -7.685 13.823 -1.744 1.00 44.55 H new ATOM 0 HG2 ARG A 118 -9.150 14.676 -3.585 1.00 21.34 H new ATOM 0 HG3 ARG A 118 -9.888 15.799 -2.460 1.00 21.34 H new ATOM 0 HD2 ARG A 118 -7.688 16.884 -2.070 1.00 32.32 H new ATOM 0 HD3 ARG A 118 -6.914 15.735 -3.143 1.00 32.32 H new ATOM 0 HE ARG A 118 -9.115 17.462 -4.196 1.00 33.12 H new ATOM 0 HH11 ARG A 118 -5.696 16.495 -4.247 1.00 1.31 H new ATOM 0 HH12 ARG A 118 -5.354 17.417 -5.715 1.00 1.31 H new ATOM 0 HH21 ARG A 118 -8.651 18.642 -6.027 1.00 63.21 H new ATOM 0 HH22 ARG A 118 -7.025 18.630 -6.718 1.00 63.21 H new ATOM 1876 N THR A 119 -10.949 12.858 -3.305 1.00 43.22 N ATOM 1877 CA THR A 119 -11.385 12.126 -4.506 1.00 4.15 C ATOM 1878 C THR A 119 -10.201 11.852 -5.462 1.00 52.15 C ATOM 1879 O THR A 119 -9.947 10.699 -5.815 1.00 25.03 O ATOM 1880 CB THR A 119 -12.514 12.924 -5.245 1.00 63.21 C ATOM 1881 OG1 THR A 119 -13.556 13.255 -4.314 1.00 24.35 O ATOM 1882 CG2 THR A 119 -13.125 12.145 -6.426 1.00 43.22 C ATOM 0 H THR A 119 -11.428 13.748 -3.172 1.00 43.22 H new ATOM 0 HA THR A 119 -11.782 11.162 -4.187 1.00 4.15 H new ATOM 0 HB THR A 119 -12.052 13.824 -5.651 1.00 63.21 H new ATOM 0 HG1 THR A 119 -14.261 13.755 -4.776 1.00 24.35 H new ATOM 0 HG21 THR A 119 -13.900 12.749 -6.898 1.00 43.22 H new ATOM 0 HG22 THR A 119 -12.347 11.920 -7.155 1.00 43.22 H new ATOM 0 HG23 THR A 119 -13.561 11.215 -6.062 1.00 43.22 H new ATOM 1890 N GLU A 120 -9.450 12.916 -5.817 1.00 63.33 N ATOM 1891 CA GLU A 120 -8.296 12.811 -6.735 1.00 10.32 C ATOM 1892 C GLU A 120 -7.214 11.881 -6.163 1.00 52.23 C ATOM 1893 O GLU A 120 -6.775 10.941 -6.834 1.00 12.33 O ATOM 1894 CB GLU A 120 -7.668 14.203 -7.032 1.00 12.45 C ATOM 1895 CG GLU A 120 -6.479 14.142 -8.025 1.00 61.53 C ATOM 1896 CD GLU A 120 -5.749 15.485 -8.181 1.00 13.40 C ATOM 1897 OE1 GLU A 120 -4.941 15.829 -7.292 1.00 24.21 O ATOM 1898 OE2 GLU A 120 -6.001 16.213 -9.164 1.00 62.01 O ATOM 0 H GLU A 120 -9.624 13.863 -5.479 1.00 63.33 H new ATOM 0 HA GLU A 120 -8.676 12.392 -7.667 1.00 10.32 H new ATOM 0 HB2 GLU A 120 -8.437 14.861 -7.437 1.00 12.45 H new ATOM 0 HB3 GLU A 120 -7.328 14.647 -6.096 1.00 12.45 H new ATOM 0 HG2 GLU A 120 -5.769 13.388 -7.685 1.00 61.53 H new ATOM 0 HG3 GLU A 120 -6.845 13.820 -9.000 1.00 61.53 H new ATOM 1905 N THR A 121 -6.812 12.150 -4.910 1.00 3.04 N ATOM 1906 CA THR A 121 -5.679 11.463 -4.283 1.00 2.11 C ATOM 1907 C THR A 121 -5.970 9.974 -4.096 1.00 43.10 C ATOM 1908 O THR A 121 -5.141 9.151 -4.450 1.00 1.03 O ATOM 1909 CB THR A 121 -5.273 12.120 -2.921 1.00 40.11 C ATOM 1910 OG1 THR A 121 -6.392 12.137 -2.010 1.00 61.52 O ATOM 1911 CG2 THR A 121 -4.749 13.550 -3.123 1.00 65.12 C ATOM 0 H THR A 121 -7.260 12.843 -4.311 1.00 3.04 H new ATOM 0 HA THR A 121 -4.832 11.566 -4.962 1.00 2.11 H new ATOM 0 HB THR A 121 -4.472 11.516 -2.494 1.00 40.11 H new ATOM 0 HG1 THR A 121 -6.119 12.550 -1.164 1.00 61.52 H new ATOM 0 HG21 THR A 121 -4.476 13.977 -2.158 1.00 65.12 H new ATOM 0 HG22 THR A 121 -3.873 13.528 -3.771 1.00 65.12 H new ATOM 0 HG23 THR A 121 -5.526 14.161 -3.583 1.00 65.12 H new ATOM 1919 N LEU A 122 -7.169 9.648 -3.575 1.00 22.02 N ATOM 1920 CA LEU A 122 -7.583 8.255 -3.333 1.00 33.51 C ATOM 1921 C LEU A 122 -7.643 7.465 -4.646 1.00 20.25 C ATOM 1922 O LEU A 122 -6.916 6.491 -4.802 1.00 75.10 O ATOM 1923 CB LEU A 122 -8.968 8.204 -2.612 1.00 43.24 C ATOM 1924 CG LEU A 122 -9.543 6.776 -2.324 1.00 32.42 C ATOM 1925 CD1 LEU A 122 -8.574 5.925 -1.467 1.00 64.40 C ATOM 1926 CD2 LEU A 122 -10.950 6.841 -1.677 1.00 12.53 C ATOM 0 H LEU A 122 -7.872 10.339 -3.312 1.00 22.02 H new ATOM 0 HA LEU A 122 -6.837 7.794 -2.686 1.00 33.51 H new ATOM 0 HB2 LEU A 122 -8.881 8.736 -1.665 1.00 43.24 H new ATOM 0 HB3 LEU A 122 -9.691 8.749 -3.219 1.00 43.24 H new ATOM 0 HG LEU A 122 -9.647 6.280 -3.289 1.00 32.42 H new ATOM 0 HD11 LEU A 122 -9.012 4.942 -1.291 1.00 64.40 H new ATOM 0 HD12 LEU A 122 -7.627 5.811 -1.994 1.00 64.40 H new ATOM 0 HD13 LEU A 122 -8.401 6.422 -0.512 1.00 64.40 H new ATOM 0 HD21 LEU A 122 -11.313 5.830 -1.493 1.00 12.53 H new ATOM 0 HD22 LEU A 122 -10.892 7.383 -0.733 1.00 12.53 H new ATOM 0 HD23 LEU A 122 -11.636 7.356 -2.349 1.00 12.53 H new ATOM 1938 N ASN A 123 -8.447 7.950 -5.605 1.00 54.32 N ATOM 1939 CA ASN A 123 -8.777 7.197 -6.834 1.00 34.14 C ATOM 1940 C ASN A 123 -7.537 6.970 -7.698 1.00 71.24 C ATOM 1941 O ASN A 123 -7.313 5.860 -8.193 1.00 74.44 O ATOM 1942 CB ASN A 123 -9.882 7.921 -7.650 1.00 13.22 C ATOM 1943 CG ASN A 123 -11.197 8.084 -6.889 1.00 62.51 C ATOM 1944 OD1 ASN A 123 -11.493 7.333 -5.971 1.00 64.31 O ATOM 1945 ND2 ASN A 123 -12.007 9.061 -7.282 1.00 4.04 N ATOM 0 H ASN A 123 -8.886 8.869 -5.555 1.00 54.32 H new ATOM 0 HA ASN A 123 -9.158 6.222 -6.528 1.00 34.14 H new ATOM 0 HB2 ASN A 123 -9.518 8.905 -7.945 1.00 13.22 H new ATOM 0 HB3 ASN A 123 -10.069 7.363 -8.567 1.00 13.22 H new ATOM 0 HD21 ASN A 123 -12.903 9.200 -6.814 1.00 4.04 H new ATOM 0 HD22 ASN A 123 -11.733 9.672 -8.051 1.00 4.04 H new ATOM 1952 N SER A 124 -6.720 8.021 -7.848 1.00 23.21 N ATOM 1953 CA SER A 124 -5.488 7.951 -8.644 1.00 53.34 C ATOM 1954 C SER A 124 -4.451 7.028 -7.970 1.00 34.10 C ATOM 1955 O SER A 124 -3.765 6.274 -8.656 1.00 14.22 O ATOM 1956 CB SER A 124 -4.912 9.360 -8.878 1.00 52.20 C ATOM 1957 OG SER A 124 -3.805 9.319 -9.753 1.00 20.11 O ATOM 0 H SER A 124 -6.892 8.934 -7.426 1.00 23.21 H new ATOM 0 HA SER A 124 -5.731 7.522 -9.616 1.00 53.34 H new ATOM 0 HB2 SER A 124 -5.684 10.007 -9.294 1.00 52.20 H new ATOM 0 HB3 SER A 124 -4.610 9.795 -7.925 1.00 52.20 H new ATOM 0 HG SER A 124 -3.459 10.226 -9.886 1.00 20.11 H new ATOM 1963 N PHE A 125 -4.382 7.080 -6.626 1.00 53.02 N ATOM 1964 CA PHE A 125 -3.468 6.226 -5.819 1.00 21.11 C ATOM 1965 C PHE A 125 -3.801 4.730 -6.003 1.00 62.03 C ATOM 1966 O PHE A 125 -2.897 3.897 -6.134 1.00 32.42 O ATOM 1967 CB PHE A 125 -3.554 6.627 -4.322 1.00 33.34 C ATOM 1968 CG PHE A 125 -2.554 5.936 -3.389 1.00 64.23 C ATOM 1969 CD1 PHE A 125 -1.271 6.448 -3.214 1.00 41.50 C ATOM 1970 CD2 PHE A 125 -2.903 4.789 -2.684 1.00 24.41 C ATOM 1971 CE1 PHE A 125 -0.377 5.834 -2.365 1.00 34.12 C ATOM 1972 CE2 PHE A 125 -2.008 4.177 -1.834 1.00 44.22 C ATOM 1973 CZ PHE A 125 -0.744 4.697 -1.673 1.00 23.32 C ATOM 0 H PHE A 125 -4.953 7.711 -6.064 1.00 53.02 H new ATOM 0 HA PHE A 125 -2.448 6.384 -6.168 1.00 21.11 H new ATOM 0 HB2 PHE A 125 -3.409 7.705 -4.245 1.00 33.34 H new ATOM 0 HB3 PHE A 125 -4.562 6.414 -3.965 1.00 33.34 H new ATOM 0 HD1 PHE A 125 -0.973 7.337 -3.750 1.00 41.50 H new ATOM 0 HD2 PHE A 125 -3.892 4.371 -2.805 1.00 24.41 H new ATOM 0 HE1 PHE A 125 0.615 6.243 -2.240 1.00 34.12 H new ATOM 0 HE2 PHE A 125 -2.299 3.288 -1.293 1.00 44.22 H new ATOM 0 HZ PHE A 125 -0.041 4.217 -1.008 1.00 23.32 H new ATOM 1983 N ILE A 126 -5.112 4.412 -6.015 1.00 50.30 N ATOM 1984 CA ILE A 126 -5.611 3.041 -6.264 1.00 73.12 C ATOM 1985 C ILE A 126 -5.191 2.603 -7.671 1.00 24.01 C ATOM 1986 O ILE A 126 -4.704 1.497 -7.846 1.00 25.43 O ATOM 1987 CB ILE A 126 -7.181 2.944 -6.141 1.00 22.24 C ATOM 1988 CG1 ILE A 126 -7.690 3.506 -4.778 1.00 65.15 C ATOM 1989 CG2 ILE A 126 -7.671 1.478 -6.340 1.00 44.53 C ATOM 1990 CD1 ILE A 126 -9.166 3.866 -4.782 1.00 23.12 C ATOM 0 H ILE A 126 -5.853 5.094 -5.853 1.00 50.30 H new ATOM 0 HA ILE A 126 -5.178 2.388 -5.506 1.00 73.12 H new ATOM 0 HB ILE A 126 -7.602 3.561 -6.935 1.00 22.24 H new ATOM 0 HG12 ILE A 126 -7.507 2.766 -3.998 1.00 65.15 H new ATOM 0 HG13 ILE A 126 -7.109 4.392 -4.520 1.00 65.15 H new ATOM 0 HG21 ILE A 126 -8.757 1.442 -6.250 1.00 44.53 H new ATOM 0 HG22 ILE A 126 -7.377 1.127 -7.329 1.00 44.53 H new ATOM 0 HG23 ILE A 126 -7.222 0.838 -5.580 1.00 44.53 H new ATOM 0 HD11 ILE A 126 -9.450 4.250 -3.802 1.00 23.12 H new ATOM 0 HD12 ILE A 126 -9.352 4.628 -5.538 1.00 23.12 H new ATOM 0 HD13 ILE A 126 -9.756 2.978 -5.009 1.00 23.12 H new ATOM 2002 N SER A 127 -5.355 3.519 -8.643 1.00 72.20 N ATOM 2003 CA SER A 127 -5.008 3.279 -10.057 1.00 73.13 C ATOM 2004 C SER A 127 -3.506 2.978 -10.220 1.00 34.21 C ATOM 2005 O SER A 127 -3.127 2.158 -11.060 1.00 12.03 O ATOM 2006 CB SER A 127 -5.421 4.491 -10.916 1.00 62.13 C ATOM 2007 OG SER A 127 -6.812 4.732 -10.824 1.00 63.24 O ATOM 0 H SER A 127 -5.733 4.450 -8.470 1.00 72.20 H new ATOM 0 HA SER A 127 -5.557 2.402 -10.401 1.00 73.13 H new ATOM 0 HB2 SER A 127 -4.874 5.375 -10.589 1.00 62.13 H new ATOM 0 HB3 SER A 127 -5.148 4.313 -11.956 1.00 62.13 H new ATOM 0 HG SER A 127 -7.018 5.128 -9.952 1.00 63.24 H new ATOM 2013 N VAL A 128 -2.665 3.639 -9.396 1.00 72.35 N ATOM 2014 CA VAL A 128 -1.212 3.372 -9.347 1.00 31.11 C ATOM 2015 C VAL A 128 -0.976 1.908 -8.931 1.00 3.32 C ATOM 2016 O VAL A 128 -0.295 1.166 -9.634 1.00 70.24 O ATOM 2017 CB VAL A 128 -0.456 4.344 -8.349 1.00 14.05 C ATOM 2018 CG1 VAL A 128 1.048 3.985 -8.222 1.00 44.05 C ATOM 2019 CG2 VAL A 128 -0.634 5.824 -8.762 1.00 51.43 C ATOM 0 H VAL A 128 -2.971 4.367 -8.751 1.00 72.35 H new ATOM 0 HA VAL A 128 -0.807 3.552 -10.343 1.00 31.11 H new ATOM 0 HB VAL A 128 -0.911 4.209 -7.368 1.00 14.05 H new ATOM 0 HG11 VAL A 128 1.529 4.675 -7.529 1.00 44.05 H new ATOM 0 HG12 VAL A 128 1.149 2.966 -7.848 1.00 44.05 H new ATOM 0 HG13 VAL A 128 1.524 4.061 -9.200 1.00 44.05 H new ATOM 0 HG21 VAL A 128 -0.104 6.465 -8.057 1.00 51.43 H new ATOM 0 HG22 VAL A 128 -0.230 5.973 -9.763 1.00 51.43 H new ATOM 0 HG23 VAL A 128 -1.694 6.078 -8.757 1.00 51.43 H new ATOM 2029 N LEU A 129 -1.586 1.511 -7.799 1.00 71.43 N ATOM 2030 CA LEU A 129 -1.470 0.140 -7.236 1.00 13.41 C ATOM 2031 C LEU A 129 -1.974 -0.934 -8.216 1.00 35.14 C ATOM 2032 O LEU A 129 -1.362 -1.992 -8.336 1.00 3.50 O ATOM 2033 CB LEU A 129 -2.251 0.046 -5.902 1.00 63.43 C ATOM 2034 CG LEU A 129 -1.833 1.063 -4.791 1.00 53.33 C ATOM 2035 CD1 LEU A 129 -2.721 0.903 -3.543 1.00 13.42 C ATOM 2036 CD2 LEU A 129 -0.322 0.945 -4.432 1.00 35.04 C ATOM 0 H LEU A 129 -2.177 2.129 -7.242 1.00 71.43 H new ATOM 0 HA LEU A 129 -0.412 -0.050 -7.057 1.00 13.41 H new ATOM 0 HB2 LEU A 129 -3.311 0.185 -6.114 1.00 63.43 H new ATOM 0 HB3 LEU A 129 -2.135 -0.963 -5.506 1.00 63.43 H new ATOM 0 HG LEU A 129 -1.985 2.066 -5.190 1.00 53.33 H new ATOM 0 HD11 LEU A 129 -2.413 1.620 -2.783 1.00 13.42 H new ATOM 0 HD12 LEU A 129 -3.762 1.084 -3.811 1.00 13.42 H new ATOM 0 HD13 LEU A 129 -2.618 -0.109 -3.150 1.00 13.42 H new ATOM 0 HD21 LEU A 129 -0.075 1.670 -3.656 1.00 35.04 H new ATOM 0 HD22 LEU A 129 -0.112 -0.061 -4.069 1.00 35.04 H new ATOM 0 HD23 LEU A 129 0.279 1.144 -5.319 1.00 35.04 H new ATOM 2048 N GLU A 130 -3.085 -0.637 -8.911 1.00 63.53 N ATOM 2049 CA GLU A 130 -3.698 -1.548 -9.898 1.00 13.45 C ATOM 2050 C GLU A 130 -2.743 -1.782 -11.079 1.00 1.45 C ATOM 2051 O GLU A 130 -2.668 -2.894 -11.623 1.00 42.21 O ATOM 2052 CB GLU A 130 -5.052 -0.977 -10.406 1.00 34.51 C ATOM 2053 CG GLU A 130 -6.156 -0.899 -9.338 1.00 61.33 C ATOM 2054 CD GLU A 130 -7.455 -0.254 -9.868 1.00 12.13 C ATOM 2055 OE1 GLU A 130 -7.574 0.990 -9.848 1.00 61.22 O ATOM 2056 OE2 GLU A 130 -8.356 -0.987 -10.315 1.00 72.31 O ATOM 0 H GLU A 130 -3.587 0.245 -8.805 1.00 63.53 H new ATOM 0 HA GLU A 130 -3.888 -2.503 -9.408 1.00 13.45 H new ATOM 0 HB2 GLU A 130 -4.882 0.022 -10.807 1.00 34.51 H new ATOM 0 HB3 GLU A 130 -5.406 -1.596 -11.231 1.00 34.51 H new ATOM 0 HG2 GLU A 130 -6.376 -1.903 -8.975 1.00 61.33 H new ATOM 0 HG3 GLU A 130 -5.792 -0.325 -8.486 1.00 61.33 H new ATOM 2063 N THR A 131 -2.022 -0.715 -11.471 1.00 71.21 N ATOM 2064 CA THR A 131 -1.020 -0.788 -12.542 1.00 64.05 C ATOM 2065 C THR A 131 0.183 -1.634 -12.091 1.00 4.22 C ATOM 2066 O THR A 131 0.590 -2.535 -12.806 1.00 22.22 O ATOM 2067 CB THR A 131 -0.528 0.629 -12.982 1.00 2.43 C ATOM 2068 OG1 THR A 131 -1.655 1.469 -13.252 1.00 1.14 O ATOM 2069 CG2 THR A 131 0.355 0.578 -14.244 1.00 64.30 C ATOM 0 H THR A 131 -2.119 0.212 -11.057 1.00 71.21 H new ATOM 0 HA THR A 131 -1.500 -1.258 -13.400 1.00 64.05 H new ATOM 0 HB THR A 131 0.070 1.027 -12.162 1.00 2.43 H new ATOM 0 HG1 THR A 131 -2.088 1.717 -12.408 1.00 1.14 H new ATOM 0 HG21 THR A 131 0.671 1.587 -14.508 1.00 64.30 H new ATOM 0 HG22 THR A 131 1.233 -0.038 -14.049 1.00 64.30 H new ATOM 0 HG23 THR A 131 -0.213 0.148 -15.069 1.00 64.30 H new ATOM 2077 N VAL A 132 0.715 -1.347 -10.889 1.00 42.13 N ATOM 2078 CA VAL A 132 1.935 -2.008 -10.357 1.00 33.53 C ATOM 2079 C VAL A 132 1.725 -3.531 -10.209 1.00 42.31 C ATOM 2080 O VAL A 132 2.505 -4.323 -10.744 1.00 64.13 O ATOM 2081 CB VAL A 132 2.386 -1.374 -8.982 1.00 33.43 C ATOM 2082 CG1 VAL A 132 3.597 -2.125 -8.363 1.00 70.20 C ATOM 2083 CG2 VAL A 132 2.698 0.132 -9.151 1.00 54.43 C ATOM 0 H VAL A 132 0.317 -0.653 -10.256 1.00 42.13 H new ATOM 0 HA VAL A 132 2.733 -1.842 -11.080 1.00 33.53 H new ATOM 0 HB VAL A 132 1.553 -1.480 -8.287 1.00 33.43 H new ATOM 0 HG11 VAL A 132 3.873 -1.655 -7.419 1.00 70.20 H new ATOM 0 HG12 VAL A 132 3.327 -3.166 -8.185 1.00 70.20 H new ATOM 0 HG13 VAL A 132 4.442 -2.082 -9.050 1.00 70.20 H new ATOM 0 HG21 VAL A 132 3.007 0.549 -8.193 1.00 54.43 H new ATOM 0 HG22 VAL A 132 3.501 0.258 -9.877 1.00 54.43 H new ATOM 0 HG23 VAL A 132 1.806 0.651 -9.503 1.00 54.43 H new ATOM 2093 N ILE A 133 0.632 -3.911 -9.530 1.00 72.32 N ATOM 2094 CA ILE A 133 0.271 -5.325 -9.279 1.00 51.42 C ATOM 2095 C ILE A 133 -0.054 -6.023 -10.606 1.00 42.12 C ATOM 2096 O ILE A 133 0.417 -7.136 -10.867 1.00 40.14 O ATOM 2097 CB ILE A 133 -0.952 -5.406 -8.286 1.00 71.32 C ATOM 2098 CG1 ILE A 133 -0.541 -4.847 -6.878 1.00 60.23 C ATOM 2099 CG2 ILE A 133 -1.544 -6.842 -8.180 1.00 0.44 C ATOM 2100 CD1 ILE A 133 -1.649 -4.846 -5.845 1.00 52.20 C ATOM 0 H ILE A 133 -0.033 -3.246 -9.135 1.00 72.32 H new ATOM 0 HA ILE A 133 1.117 -5.835 -8.818 1.00 51.42 H new ATOM 0 HB ILE A 133 -1.748 -4.782 -8.693 1.00 71.32 H new ATOM 0 HG12 ILE A 133 0.291 -5.439 -6.497 1.00 60.23 H new ATOM 0 HG13 ILE A 133 -0.177 -3.827 -7.000 1.00 60.23 H new ATOM 0 HG21 ILE A 133 -2.382 -6.839 -7.484 1.00 0.44 H new ATOM 0 HG22 ILE A 133 -1.889 -7.167 -9.162 1.00 0.44 H new ATOM 0 HG23 ILE A 133 -0.776 -7.527 -7.820 1.00 0.44 H new ATOM 0 HD11 ILE A 133 -1.270 -4.443 -4.906 1.00 52.20 H new ATOM 0 HD12 ILE A 133 -2.475 -4.229 -6.198 1.00 52.20 H new ATOM 0 HD13 ILE A 133 -2.000 -5.866 -5.687 1.00 52.20 H new ATOM 2112 N GLY A 134 -0.823 -5.312 -11.449 1.00 50.25 N ATOM 2113 CA GLY A 134 -1.221 -5.806 -12.764 1.00 43.03 C ATOM 2114 C GLY A 134 -0.043 -6.065 -13.700 1.00 42.51 C ATOM 2115 O GLY A 134 -0.075 -7.016 -14.472 1.00 73.45 O ATOM 0 H GLY A 134 -1.181 -4.382 -11.232 1.00 50.25 H new ATOM 0 HA2 GLY A 134 -1.786 -6.730 -12.640 1.00 43.03 H new ATOM 0 HA3 GLY A 134 -1.891 -5.082 -13.228 1.00 43.03 H new ATOM 2119 N THR A 135 1.010 -5.231 -13.607 1.00 42.14 N ATOM 2120 CA THR A 135 2.247 -5.366 -14.429 1.00 63.34 C ATOM 2121 C THR A 135 2.983 -6.676 -14.098 1.00 1.25 C ATOM 2122 O THR A 135 3.579 -7.316 -14.970 1.00 51.30 O ATOM 2123 CB THR A 135 3.210 -4.145 -14.197 1.00 22.41 C ATOM 2124 OG1 THR A 135 2.548 -2.932 -14.584 1.00 11.11 O ATOM 2125 CG2 THR A 135 4.537 -4.254 -14.974 1.00 5.53 C ATOM 0 H THR A 135 1.036 -4.441 -12.962 1.00 42.14 H new ATOM 0 HA THR A 135 1.947 -5.384 -15.477 1.00 63.34 H new ATOM 0 HB THR A 135 3.456 -4.143 -13.135 1.00 22.41 H new ATOM 0 HG1 THR A 135 1.950 -2.642 -13.864 1.00 11.11 H new ATOM 0 HG21 THR A 135 5.153 -3.378 -14.768 1.00 5.53 H new ATOM 0 HG22 THR A 135 5.069 -5.153 -14.662 1.00 5.53 H new ATOM 0 HG23 THR A 135 4.330 -4.308 -16.043 1.00 5.53 H new ATOM 2133 N ILE A 136 2.856 -7.088 -12.837 1.00 4.43 N ATOM 2134 CA ILE A 136 3.510 -8.284 -12.298 1.00 11.24 C ATOM 2135 C ILE A 136 2.720 -9.534 -12.735 1.00 25.15 C ATOM 2136 O ILE A 136 3.284 -10.626 -12.889 1.00 61.13 O ATOM 2137 CB ILE A 136 3.593 -8.159 -10.735 1.00 70.15 C ATOM 2138 CG1 ILE A 136 4.423 -6.885 -10.352 1.00 65.32 C ATOM 2139 CG2 ILE A 136 4.175 -9.430 -10.079 1.00 14.35 C ATOM 2140 CD1 ILE A 136 4.412 -6.544 -8.880 1.00 13.34 C ATOM 0 H ILE A 136 2.288 -6.594 -12.149 1.00 4.43 H new ATOM 0 HA ILE A 136 4.525 -8.379 -12.684 1.00 11.24 H new ATOM 0 HB ILE A 136 2.580 -8.052 -10.348 1.00 70.15 H new ATOM 0 HG12 ILE A 136 5.455 -7.032 -10.670 1.00 65.32 H new ATOM 0 HG13 ILE A 136 4.035 -6.034 -10.911 1.00 65.32 H new ATOM 0 HG21 ILE A 136 4.213 -9.297 -8.998 1.00 14.35 H new ATOM 0 HG22 ILE A 136 3.542 -10.285 -10.317 1.00 14.35 H new ATOM 0 HG23 ILE A 136 5.181 -9.607 -10.458 1.00 14.35 H new ATOM 0 HD11 ILE A 136 5.011 -5.650 -8.709 1.00 13.34 H new ATOM 0 HD12 ILE A 136 3.387 -6.361 -8.556 1.00 13.34 H new ATOM 0 HD13 ILE A 136 4.829 -7.375 -8.311 1.00 13.34 H new