USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 720 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 53 ASN :FLIP amide:sc= -2.8 F(o=-3.9!,f=-2.8) USER MOD Set 1.2: A 103 TYR OH : rot -142:sc= -0.0383 USER MOD Set 2.1: A 23 MET CE :methyl -177:sc= -2.23 (180deg=-2.2) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 167:sc= 1.31 (180deg=0.939) USER MOD Set 2.3: A 126 THR OG1 : rot -27:sc= 0.729 USER MOD Single : A 30 SER OG : rot -40:sc= -4.51! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.5 K(o=1.5,f=-3.4!) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.976 F(o=-4.3!,f=-0.98) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= 0.904 (180deg=0.74) USER MOD Single : A 77 THR OG1 : rot -167:sc= 1.62 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 138:sc= 1.17 (180deg=-0.24!) USER MOD Single : A 93 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.57) USER MOD Single : A 95 MET CE :methyl 138:sc= -1.7 (180deg=-6.52!) USER MOD Single : A 100 MET CE :methyl -136:sc= -1.08 (180deg=-3.81!) USER MOD Single : A 105 ASN : amide:sc= -0.0691 X(o=-0.069,f=-0.027) USER MOD Single : A 106 MET CE :methyl -124:sc= 0 (180deg=-0.0766) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 174:sc= 2.46 (180deg=2.26) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 133 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0587) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 11.171 1.334 9.798 1.00 72.12 N ATOM 342 CA MET A 23 10.348 1.632 8.627 1.00 62.12 C ATOM 343 C MET A 23 11.153 2.384 7.550 1.00 52.13 C ATOM 344 O MET A 23 12.194 2.982 7.838 1.00 32.12 O ATOM 345 CB MET A 23 9.143 2.463 9.066 1.00 50.31 C ATOM 346 CG MET A 23 9.515 3.824 9.645 1.00 71.13 C ATOM 347 SD MET A 23 8.131 4.625 10.467 1.00 14.54 S ATOM 348 CE MET A 23 6.843 4.352 9.258 1.00 53.55 C ATOM 0 HA MET A 23 10.012 0.694 8.186 1.00 62.12 H new ATOM 0 HB2 MET A 23 8.483 2.610 8.211 1.00 50.31 H new ATOM 0 HB3 MET A 23 8.579 1.903 9.812 1.00 50.31 H new ATOM 0 HG2 MET A 23 10.333 3.702 10.355 1.00 71.13 H new ATOM 0 HG3 MET A 23 9.880 4.468 8.845 1.00 71.13 H new ATOM 0 HE1 MET A 23 5.924 4.836 9.590 1.00 53.55 H new ATOM 0 HE2 MET A 23 7.149 4.772 8.300 1.00 53.55 H new ATOM 0 HE3 MET A 23 6.670 3.282 9.146 1.00 53.55 H new ATOM 358 N LEU A 24 10.659 2.359 6.313 1.00 10.35 N ATOM 359 CA LEU A 24 11.333 3.025 5.186 1.00 64.14 C ATOM 360 C LEU A 24 10.490 4.171 4.613 1.00 43.10 C ATOM 361 O LEU A 24 9.261 4.101 4.588 1.00 62.23 O ATOM 362 CB LEU A 24 11.643 2.001 4.083 1.00 60.04 C ATOM 363 CG LEU A 24 12.880 1.125 4.340 1.00 73.01 C ATOM 364 CD1 LEU A 24 12.824 -0.154 3.513 1.00 72.32 C ATOM 365 CD2 LEU A 24 14.158 1.904 4.027 1.00 51.13 C ATOM 0 H LEU A 24 9.792 1.885 6.060 1.00 10.35 H new ATOM 0 HA LEU A 24 12.262 3.453 5.562 1.00 64.14 H new ATOM 0 HB2 LEU A 24 10.776 1.352 3.957 1.00 60.04 H new ATOM 0 HB3 LEU A 24 11.782 2.534 3.142 1.00 60.04 H new ATOM 0 HG LEU A 24 12.886 0.848 5.394 1.00 73.01 H new ATOM 0 HD11 LEU A 24 13.710 -0.756 3.713 1.00 72.32 H new ATOM 0 HD12 LEU A 24 11.932 -0.721 3.780 1.00 72.32 H new ATOM 0 HD13 LEU A 24 12.789 0.099 2.453 1.00 72.32 H new ATOM 0 HD21 LEU A 24 15.025 1.271 4.214 1.00 51.13 H new ATOM 0 HD22 LEU A 24 14.151 2.210 2.981 1.00 51.13 H new ATOM 0 HD23 LEU A 24 14.210 2.788 4.663 1.00 51.13 H new ATOM 377 N GLU A 25 11.167 5.219 4.147 1.00 70.24 N ATOM 378 CA GLU A 25 10.500 6.374 3.528 1.00 60.24 C ATOM 379 C GLU A 25 10.397 6.207 2.014 1.00 40.11 C ATOM 380 O GLU A 25 11.396 6.005 1.321 1.00 21.15 O ATOM 381 CB GLU A 25 11.233 7.675 3.877 1.00 41.05 C ATOM 382 CG GLU A 25 10.887 8.191 5.264 1.00 32.42 C ATOM 383 CD GLU A 25 11.849 9.256 5.767 1.00 5.45 C ATOM 384 OE1 GLU A 25 13.024 8.926 6.021 1.00 32.42 O ATOM 385 OE2 GLU A 25 11.433 10.423 5.934 1.00 51.32 O ATOM 0 H GLU A 25 12.183 5.296 4.185 1.00 70.24 H new ATOM 0 HA GLU A 25 9.488 6.428 3.930 1.00 60.24 H new ATOM 0 HB2 GLU A 25 12.308 7.509 3.814 1.00 41.05 H new ATOM 0 HB3 GLU A 25 10.984 8.437 3.138 1.00 41.05 H new ATOM 0 HG2 GLU A 25 9.877 8.601 5.250 1.00 32.42 H new ATOM 0 HG3 GLU A 25 10.882 7.356 5.964 1.00 32.42 H new ATOM 392 N VAL A 26 9.176 6.314 1.517 1.00 53.02 N ATOM 393 CA VAL A 26 8.879 6.050 0.101 1.00 41.34 C ATOM 394 C VAL A 26 7.830 7.022 -0.454 1.00 33.52 C ATOM 395 O VAL A 26 7.082 7.635 0.299 1.00 34.42 O ATOM 396 CB VAL A 26 8.358 4.600 -0.105 1.00 15.34 C ATOM 397 CG1 VAL A 26 9.427 3.566 0.252 1.00 31.13 C ATOM 398 CG2 VAL A 26 7.083 4.365 0.706 1.00 33.52 C ATOM 0 H VAL A 26 8.363 6.583 2.070 1.00 53.02 H new ATOM 0 HA VAL A 26 9.817 6.187 -0.437 1.00 41.34 H new ATOM 0 HB VAL A 26 8.122 4.478 -1.162 1.00 15.34 H new ATOM 0 HG11 VAL A 26 9.029 2.563 0.097 1.00 31.13 H new ATOM 0 HG12 VAL A 26 10.301 3.712 -0.383 1.00 31.13 H new ATOM 0 HG13 VAL A 26 9.713 3.685 1.297 1.00 31.13 H new ATOM 0 HG21 VAL A 26 6.734 3.344 0.548 1.00 33.52 H new ATOM 0 HG22 VAL A 26 7.292 4.517 1.765 1.00 33.52 H new ATOM 0 HG23 VAL A 26 6.313 5.066 0.384 1.00 33.52 H new ATOM 408 N GLU A 27 7.764 7.154 -1.775 1.00 74.31 N ATOM 409 CA GLU A 27 6.702 7.949 -2.407 1.00 14.13 C ATOM 410 C GLU A 27 5.570 7.037 -2.905 1.00 21.21 C ATOM 411 O GLU A 27 5.776 6.189 -3.772 1.00 1.12 O ATOM 412 CB GLU A 27 7.257 8.792 -3.565 1.00 32.41 C ATOM 413 CG GLU A 27 6.224 9.740 -4.176 1.00 32.10 C ATOM 414 CD GLU A 27 6.788 10.610 -5.293 1.00 71.51 C ATOM 415 OE1 GLU A 27 7.540 11.562 -4.995 1.00 61.35 O ATOM 416 OE2 GLU A 27 6.478 10.351 -6.468 1.00 61.24 O ATOM 0 H GLU A 27 8.422 6.728 -2.427 1.00 74.31 H new ATOM 0 HA GLU A 27 6.299 8.628 -1.656 1.00 14.13 H new ATOM 0 HB2 GLU A 27 8.106 9.374 -3.206 1.00 32.41 H new ATOM 0 HB3 GLU A 27 7.632 8.126 -4.342 1.00 32.41 H new ATOM 0 HG2 GLU A 27 5.391 9.155 -4.566 1.00 32.10 H new ATOM 0 HG3 GLU A 27 5.823 10.383 -3.392 1.00 32.10 H new ATOM 423 N VAL A 28 4.384 7.219 -2.334 1.00 4.23 N ATOM 424 CA VAL A 28 3.217 6.383 -2.629 1.00 51.53 C ATOM 425 C VAL A 28 2.419 6.926 -3.825 1.00 4.12 C ATOM 426 O VAL A 28 1.717 7.933 -3.719 1.00 25.13 O ATOM 427 CB VAL A 28 2.282 6.302 -1.397 1.00 31.34 C ATOM 428 CG1 VAL A 28 1.102 5.372 -1.662 1.00 23.24 C ATOM 429 CG2 VAL A 28 3.060 5.867 -0.158 1.00 51.41 C ATOM 0 H VAL A 28 4.200 7.953 -1.650 1.00 4.23 H new ATOM 0 HA VAL A 28 3.589 5.389 -2.878 1.00 51.53 H new ATOM 0 HB VAL A 28 1.880 7.298 -1.211 1.00 31.34 H new ATOM 0 HG11 VAL A 28 0.463 5.335 -0.780 1.00 23.24 H new ATOM 0 HG12 VAL A 28 0.528 5.745 -2.510 1.00 23.24 H new ATOM 0 HG13 VAL A 28 1.471 4.371 -1.885 1.00 23.24 H new ATOM 0 HG21 VAL A 28 2.385 5.816 0.696 1.00 51.41 H new ATOM 0 HG22 VAL A 28 3.501 4.885 -0.331 1.00 51.41 H new ATOM 0 HG23 VAL A 28 3.851 6.588 0.047 1.00 51.41 H new ATOM 439 N ILE A 29 2.523 6.252 -4.962 1.00 15.40 N ATOM 440 CA ILE A 29 1.859 6.705 -6.186 1.00 73.05 C ATOM 441 C ILE A 29 0.463 6.085 -6.343 1.00 50.03 C ATOM 442 O ILE A 29 0.167 5.043 -5.761 1.00 50.10 O ATOM 443 CB ILE A 29 2.704 6.355 -7.432 1.00 64.21 C ATOM 444 CG1 ILE A 29 4.183 6.686 -7.183 1.00 21.31 C ATOM 445 CG2 ILE A 29 2.181 7.107 -8.655 1.00 25.53 C ATOM 446 CD1 ILE A 29 5.090 6.281 -8.319 1.00 62.24 C ATOM 0 H ILE A 29 3.059 5.390 -5.067 1.00 15.40 H new ATOM 0 HA ILE A 29 1.754 7.787 -6.103 1.00 73.05 H new ATOM 0 HB ILE A 29 2.619 5.285 -7.624 1.00 64.21 H new ATOM 0 HG12 ILE A 29 4.284 7.758 -7.013 1.00 21.31 H new ATOM 0 HG13 ILE A 29 4.510 6.186 -6.271 1.00 21.31 H new ATOM 0 HG21 ILE A 29 2.785 6.851 -9.525 1.00 25.53 H new ATOM 0 HG22 ILE A 29 1.144 6.827 -8.838 1.00 25.53 H new ATOM 0 HG23 ILE A 29 2.240 8.180 -8.475 1.00 25.53 H new ATOM 0 HD11 ILE A 29 6.119 6.545 -8.075 1.00 62.24 H new ATOM 0 HD12 ILE A 29 5.019 5.205 -8.476 1.00 62.24 H new ATOM 0 HD13 ILE A 29 4.788 6.801 -9.228 1.00 62.24 H new ATOM 458 N SER A 30 -0.395 6.735 -7.134 1.00 54.25 N ATOM 459 CA SER A 30 -1.739 6.215 -7.418 1.00 44.51 C ATOM 460 C SER A 30 -2.138 6.435 -8.878 1.00 11.51 C ATOM 461 O SER A 30 -2.645 7.496 -9.246 1.00 44.50 O ATOM 462 CB SER A 30 -2.779 6.840 -6.486 1.00 62.25 C ATOM 463 OG SER A 30 -2.578 6.403 -5.153 1.00 54.44 O ATOM 0 H SER A 30 -0.184 7.623 -7.590 1.00 54.25 H new ATOM 0 HA SER A 30 -1.709 5.140 -7.238 1.00 44.51 H new ATOM 0 HB2 SER A 30 -2.711 7.927 -6.533 1.00 62.25 H new ATOM 0 HB3 SER A 30 -3.782 6.569 -6.816 1.00 62.25 H new ATOM 0 HG SER A 30 -2.345 5.451 -5.152 1.00 54.44 H new ATOM 469 N GLY A 31 -1.903 5.424 -9.703 1.00 21.15 N ATOM 470 CA GLY A 31 -2.269 5.500 -11.114 1.00 61.34 C ATOM 471 C GLY A 31 -3.720 5.097 -11.352 1.00 64.32 C ATOM 472 O GLY A 31 -4.144 4.021 -10.924 1.00 43.31 O ATOM 0 H GLY A 31 -1.464 4.547 -9.424 1.00 21.15 H new ATOM 0 HA2 GLY A 31 -2.112 6.516 -11.475 1.00 61.34 H new ATOM 0 HA3 GLY A 31 -1.613 4.851 -11.694 1.00 61.34 H new ATOM 711 N GLU A 47 -12.196 -8.820 -9.432 1.00 2.14 N ATOM 712 CA GLU A 47 -11.182 -8.074 -10.181 1.00 72.45 C ATOM 713 C GLU A 47 -10.790 -6.788 -9.443 1.00 53.22 C ATOM 714 O GLU A 47 -9.617 -6.422 -9.399 1.00 64.25 O ATOM 715 CB GLU A 47 -11.694 -7.716 -11.583 1.00 13.50 C ATOM 716 CG GLU A 47 -12.162 -8.906 -12.410 1.00 54.31 C ATOM 717 CD GLU A 47 -12.527 -8.513 -13.835 1.00 3.33 C ATOM 718 OE1 GLU A 47 -13.522 -7.781 -14.019 1.00 33.32 O ATOM 719 OE2 GLU A 47 -11.810 -8.924 -14.776 1.00 24.21 O ATOM 0 HA GLU A 47 -10.305 -8.715 -10.271 1.00 72.45 H new ATOM 0 HB2 GLU A 47 -12.520 -7.011 -11.485 1.00 13.50 H new ATOM 0 HB3 GLU A 47 -10.900 -7.203 -12.126 1.00 13.50 H new ATOM 0 HG2 GLU A 47 -11.376 -9.660 -12.434 1.00 54.31 H new ATOM 0 HG3 GLU A 47 -13.027 -9.362 -11.929 1.00 54.31 H new ATOM 726 N TYR A 48 -11.785 -6.113 -8.859 1.00 61.41 N ATOM 727 CA TYR A 48 -11.551 -4.857 -8.135 1.00 14.45 C ATOM 728 C TYR A 48 -10.631 -5.105 -6.933 1.00 50.42 C ATOM 729 O TYR A 48 -9.747 -4.305 -6.633 1.00 31.44 O ATOM 730 CB TYR A 48 -12.888 -4.244 -7.669 1.00 62.23 C ATOM 731 CG TYR A 48 -12.873 -2.724 -7.537 1.00 4.42 C ATOM 732 CD1 TYR A 48 -12.036 -2.082 -6.628 1.00 73.11 C ATOM 733 CD2 TYR A 48 -13.695 -1.932 -8.334 1.00 4.43 C ATOM 734 CE1 TYR A 48 -12.021 -0.704 -6.518 1.00 71.34 C ATOM 735 CE2 TYR A 48 -13.690 -0.553 -8.228 1.00 32.54 C ATOM 736 CZ TYR A 48 -12.848 0.057 -7.323 1.00 24.11 C ATOM 737 OH TYR A 48 -12.839 1.428 -7.218 1.00 54.41 O ATOM 0 H TYR A 48 -12.760 -6.414 -8.873 1.00 61.41 H new ATOM 0 HA TYR A 48 -11.066 -4.152 -8.810 1.00 14.45 H new ATOM 0 HB2 TYR A 48 -13.669 -4.527 -8.375 1.00 62.23 H new ATOM 0 HB3 TYR A 48 -13.156 -4.677 -6.706 1.00 62.23 H new ATOM 0 HD1 TYR A 48 -11.387 -2.671 -5.997 1.00 73.11 H new ATOM 0 HD2 TYR A 48 -14.351 -2.405 -9.050 1.00 4.43 H new ATOM 0 HE1 TYR A 48 -11.366 -0.224 -5.806 1.00 71.34 H new ATOM 0 HE2 TYR A 48 -14.342 0.042 -8.850 1.00 32.54 H new ATOM 0 HH TYR A 48 -13.478 1.809 -7.856 1.00 54.41 H new ATOM 747 N PHE A 49 -10.840 -6.238 -6.267 1.00 63.10 N ATOM 748 CA PHE A 49 -10.021 -6.635 -5.123 1.00 15.24 C ATOM 749 C PHE A 49 -8.565 -6.858 -5.561 1.00 53.14 C ATOM 750 O PHE A 49 -7.671 -6.077 -5.232 1.00 5.33 O ATOM 751 CB PHE A 49 -10.600 -7.920 -4.499 1.00 60.12 C ATOM 752 CG PHE A 49 -9.938 -8.360 -3.209 1.00 10.00 C ATOM 753 CD1 PHE A 49 -8.824 -9.194 -3.224 1.00 44.44 C ATOM 754 CD2 PHE A 49 -10.442 -7.950 -1.980 1.00 65.23 C ATOM 755 CE1 PHE A 49 -8.229 -9.602 -2.043 1.00 21.50 C ATOM 756 CE2 PHE A 49 -9.851 -8.361 -0.797 1.00 14.15 C ATOM 757 CZ PHE A 49 -8.744 -9.187 -0.830 1.00 42.23 C ATOM 0 H PHE A 49 -11.576 -6.903 -6.502 1.00 63.10 H new ATOM 0 HA PHE A 49 -10.034 -5.840 -4.378 1.00 15.24 H new ATOM 0 HB2 PHE A 49 -11.663 -7.768 -4.311 1.00 60.12 H new ATOM 0 HB3 PHE A 49 -10.518 -8.728 -5.226 1.00 60.12 H new ATOM 0 HD1 PHE A 49 -8.419 -9.527 -4.168 1.00 44.44 H new ATOM 0 HD2 PHE A 49 -11.306 -7.302 -1.947 1.00 65.23 H new ATOM 0 HE1 PHE A 49 -7.362 -10.245 -2.070 1.00 21.50 H new ATOM 0 HE2 PHE A 49 -10.255 -8.036 0.150 1.00 14.15 H new ATOM 0 HZ PHE A 49 -8.282 -9.508 0.092 1.00 42.23 H new ATOM 767 N ASN A 50 -8.350 -7.903 -6.354 1.00 2.00 N ATOM 768 CA ASN A 50 -7.003 -8.300 -6.785 1.00 24.52 C ATOM 769 C ASN A 50 -6.232 -7.155 -7.472 1.00 11.00 C ATOM 770 O ASN A 50 -5.000 -7.148 -7.484 1.00 20.11 O ATOM 771 CB ASN A 50 -7.098 -9.501 -7.732 1.00 72.31 C ATOM 772 CG ASN A 50 -7.673 -10.732 -7.054 1.00 44.24 C ATOM 773 OD1 ASN A 50 -7.456 -10.964 -5.867 1.00 72.41 O ATOM 774 ND2 ASN A 50 -8.414 -11.528 -7.795 1.00 34.22 N ATOM 0 H ASN A 50 -9.095 -8.498 -6.717 1.00 2.00 H new ATOM 0 HA ASN A 50 -6.445 -8.567 -5.888 1.00 24.52 H new ATOM 0 HB2 ASN A 50 -7.720 -9.237 -8.587 1.00 72.31 H new ATOM 0 HB3 ASN A 50 -6.106 -9.733 -8.119 1.00 72.31 H new ATOM 0 HD21 ASN A 50 -8.828 -12.366 -7.387 1.00 34.22 H new ATOM 0 HD22 ASN A 50 -8.575 -11.307 -8.778 1.00 34.22 H new ATOM 781 N ALA A 51 -6.955 -6.186 -8.032 1.00 74.32 N ATOM 782 CA ALA A 51 -6.327 -5.101 -8.794 1.00 61.43 C ATOM 783 C ALA A 51 -5.856 -3.929 -7.911 1.00 50.12 C ATOM 784 O ALA A 51 -4.808 -3.348 -8.171 1.00 35.34 O ATOM 785 CB ALA A 51 -7.276 -4.595 -9.873 1.00 32.21 C ATOM 0 H ALA A 51 -7.972 -6.128 -7.974 1.00 74.32 H new ATOM 0 HA ALA A 51 -5.434 -5.524 -9.254 1.00 61.43 H new ATOM 0 HB1 ALA A 51 -6.797 -3.790 -10.431 1.00 32.21 H new ATOM 0 HB2 ALA A 51 -7.522 -5.411 -10.553 1.00 32.21 H new ATOM 0 HB3 ALA A 51 -8.189 -4.222 -9.409 1.00 32.21 H new ATOM 791 N VAL A 52 -6.620 -3.571 -6.874 1.00 44.31 N ATOM 792 CA VAL A 52 -6.282 -2.388 -6.052 1.00 50.41 C ATOM 793 C VAL A 52 -5.764 -2.761 -4.651 1.00 34.22 C ATOM 794 O VAL A 52 -5.574 -1.889 -3.802 1.00 61.33 O ATOM 795 CB VAL A 52 -7.499 -1.432 -5.901 1.00 63.14 C ATOM 796 CG1 VAL A 52 -8.072 -1.059 -7.267 1.00 54.11 C ATOM 797 CG2 VAL A 52 -8.573 -2.043 -5.002 1.00 54.34 C ATOM 0 H VAL A 52 -7.462 -4.067 -6.582 1.00 44.31 H new ATOM 0 HA VAL A 52 -5.480 -1.881 -6.589 1.00 50.41 H new ATOM 0 HB VAL A 52 -7.148 -0.517 -5.423 1.00 63.14 H new ATOM 0 HG11 VAL A 52 -8.922 -0.390 -7.135 1.00 54.11 H new ATOM 0 HG12 VAL A 52 -7.305 -0.559 -7.859 1.00 54.11 H new ATOM 0 HG13 VAL A 52 -8.398 -1.962 -7.784 1.00 54.11 H new ATOM 0 HG21 VAL A 52 -9.411 -1.352 -4.915 1.00 54.34 H new ATOM 0 HG22 VAL A 52 -8.920 -2.981 -5.435 1.00 54.34 H new ATOM 0 HG23 VAL A 52 -8.155 -2.233 -4.013 1.00 54.34 H new ATOM 807 N ASN A 53 -5.528 -4.048 -4.407 1.00 24.33 N ATOM 808 CA ASN A 53 -5.116 -4.518 -3.070 1.00 2.23 C ATOM 809 C ASN A 53 -3.600 -4.730 -2.937 1.00 14.54 C ATOM 810 O ASN A 53 -3.158 -5.410 -2.014 1.00 40.24 O ATOM 811 CB ASN A 53 -5.831 -5.829 -2.718 1.00 25.01 C ATOM 812 CG ASN A 53 -7.299 -5.640 -2.387 1.00 71.33 C ATOM 813 OD1 ASN A 53 -7.961 -4.713 -3.049 1.00 52.11 O flip ATOM 814 ND2 ASN A 53 -7.842 -6.333 -1.544 1.00 41.01 N flip ATOM 0 H ASN A 53 -5.612 -4.786 -5.106 1.00 24.33 H new ATOM 0 HA ASN A 53 -5.400 -3.726 -2.377 1.00 2.23 H new ATOM 0 HB2 ASN A 53 -5.740 -6.521 -3.556 1.00 25.01 H new ATOM 0 HB3 ASN A 53 -5.330 -6.291 -1.867 1.00 25.01 H new ATOM 0 HD21 ASN A 53 -7.306 -7.044 -1.046 1.00 41.01 H new ATOM 0 HD22 ASN A 53 -8.832 -6.202 -1.337 1.00 41.01 H new ATOM 821 N TYR A 54 -2.796 -4.141 -3.816 1.00 54.33 N ATOM 822 CA TYR A 54 -1.345 -4.361 -3.756 1.00 63.51 C ATOM 823 C TYR A 54 -0.536 -3.069 -3.925 1.00 31.40 C ATOM 824 O TYR A 54 -1.025 -2.071 -4.453 1.00 31.34 O ATOM 825 CB TYR A 54 -0.909 -5.391 -4.810 1.00 43.02 C ATOM 826 CG TYR A 54 -1.026 -4.919 -6.253 1.00 52.13 C ATOM 827 CD1 TYR A 54 0.002 -4.196 -6.855 1.00 13.33 C ATOM 828 CD2 TYR A 54 -2.150 -5.212 -7.017 1.00 64.14 C ATOM 829 CE1 TYR A 54 -0.089 -3.778 -8.169 1.00 52.30 C ATOM 830 CE2 TYR A 54 -2.249 -4.795 -8.333 1.00 70.34 C ATOM 831 CZ TYR A 54 -1.216 -4.080 -8.905 1.00 13.33 C ATOM 832 OH TYR A 54 -1.308 -3.667 -10.219 1.00 41.31 O ATOM 0 H TYR A 54 -3.109 -3.521 -4.563 1.00 54.33 H new ATOM 0 HA TYR A 54 -1.134 -4.745 -2.758 1.00 63.51 H new ATOM 0 HB2 TYR A 54 0.127 -5.671 -4.617 1.00 43.02 H new ATOM 0 HB3 TYR A 54 -1.510 -6.292 -4.688 1.00 43.02 H new ATOM 0 HD1 TYR A 54 0.887 -3.958 -6.284 1.00 13.33 H new ATOM 0 HD2 TYR A 54 -2.960 -5.775 -6.576 1.00 64.14 H new ATOM 0 HE1 TYR A 54 0.718 -3.218 -8.617 1.00 52.30 H new ATOM 0 HE2 TYR A 54 -3.131 -5.028 -8.910 1.00 70.34 H new ATOM 0 HH TYR A 54 -2.164 -3.961 -10.595 1.00 41.31 H new ATOM 842 N ALA A 55 0.713 -3.117 -3.465 1.00 72.25 N ATOM 843 CA ALA A 55 1.676 -2.031 -3.663 1.00 73.22 C ATOM 844 C ALA A 55 2.996 -2.590 -4.207 1.00 42.33 C ATOM 845 O ALA A 55 3.460 -3.638 -3.759 1.00 13.43 O ATOM 846 CB ALA A 55 1.914 -1.290 -2.350 1.00 22.13 C ATOM 0 H ALA A 55 1.088 -3.910 -2.944 1.00 72.25 H new ATOM 0 HA ALA A 55 1.268 -1.328 -4.389 1.00 73.22 H new ATOM 0 HB1 ALA A 55 2.632 -0.486 -2.511 1.00 22.13 H new ATOM 0 HB2 ALA A 55 0.973 -0.871 -1.993 1.00 22.13 H new ATOM 0 HB3 ALA A 55 2.307 -1.984 -1.607 1.00 22.13 H new ATOM 852 N GLU A 56 3.591 -1.906 -5.180 1.00 30.55 N ATOM 853 CA GLU A 56 4.854 -2.356 -5.779 1.00 73.30 C ATOM 854 C GLU A 56 6.064 -1.638 -5.157 1.00 25.13 C ATOM 855 O GLU A 56 6.205 -0.419 -5.273 1.00 62.35 O ATOM 856 CB GLU A 56 4.826 -2.150 -7.302 1.00 32.03 C ATOM 857 CG GLU A 56 3.786 -3.015 -8.015 1.00 35.42 C ATOM 858 CD GLU A 56 3.840 -2.892 -9.531 1.00 2.22 C ATOM 859 OE1 GLU A 56 4.887 -3.231 -10.125 1.00 64.14 O ATOM 860 OE2 GLU A 56 2.834 -2.474 -10.142 1.00 22.42 O ATOM 0 H GLU A 56 3.224 -1.039 -5.573 1.00 30.55 H new ATOM 0 HA GLU A 56 4.962 -3.420 -5.570 1.00 73.30 H new ATOM 0 HB2 GLU A 56 4.622 -1.101 -7.515 1.00 32.03 H new ATOM 0 HB3 GLU A 56 5.812 -2.372 -7.709 1.00 32.03 H new ATOM 0 HG2 GLU A 56 3.938 -4.058 -7.736 1.00 35.42 H new ATOM 0 HG3 GLU A 56 2.791 -2.734 -7.670 1.00 35.42 H new ATOM 867 N ILE A 57 6.938 -2.411 -4.503 1.00 64.13 N ATOM 868 CA ILE A 57 8.115 -1.866 -3.807 1.00 43.13 C ATOM 869 C ILE A 57 9.419 -2.245 -4.536 1.00 65.42 C ATOM 870 O ILE A 57 9.475 -3.247 -5.253 1.00 51.23 O ATOM 871 CB ILE A 57 8.204 -2.376 -2.333 1.00 53.02 C ATOM 872 CG1 ILE A 57 6.888 -2.132 -1.568 1.00 22.41 C ATOM 873 CG2 ILE A 57 9.367 -1.712 -1.594 1.00 52.43 C ATOM 874 CD1 ILE A 57 5.820 -3.176 -1.819 1.00 74.25 C ATOM 0 H ILE A 57 6.853 -3.425 -4.440 1.00 64.13 H new ATOM 0 HA ILE A 57 7.996 -0.783 -3.804 1.00 43.13 H new ATOM 0 HB ILE A 57 8.380 -3.451 -2.375 1.00 53.02 H new ATOM 0 HG12 ILE A 57 7.103 -2.098 -0.500 1.00 22.41 H new ATOM 0 HG13 ILE A 57 6.496 -1.154 -1.845 1.00 22.41 H new ATOM 0 HG21 ILE A 57 9.407 -2.084 -0.570 1.00 52.43 H new ATOM 0 HG22 ILE A 57 10.302 -1.946 -2.102 1.00 52.43 H new ATOM 0 HG23 ILE A 57 9.221 -0.632 -1.582 1.00 52.43 H new ATOM 0 HD11 ILE A 57 4.928 -2.929 -1.243 1.00 74.25 H new ATOM 0 HD12 ILE A 57 5.573 -3.196 -2.880 1.00 74.25 H new ATOM 0 HD13 ILE A 57 6.189 -4.155 -1.514 1.00 74.25 H new ATOM 886 N ASN A 58 10.460 -1.430 -4.351 1.00 31.13 N ATOM 887 CA ASN A 58 11.787 -1.693 -4.925 1.00 54.44 C ATOM 888 C ASN A 58 12.453 -2.918 -4.267 1.00 4.42 C ATOM 889 O ASN A 58 12.238 -3.189 -3.086 1.00 53.14 O ATOM 890 CB ASN A 58 12.669 -0.453 -4.737 1.00 23.53 C ATOM 891 CG ASN A 58 14.064 -0.614 -5.320 1.00 24.14 C ATOM 892 OD1 ASN A 58 14.982 -1.078 -4.652 1.00 5.21 O ATOM 893 ND2 ASN A 58 14.237 -0.226 -6.566 1.00 2.40 N ATOM 0 H ASN A 58 10.410 -0.572 -3.802 1.00 31.13 H new ATOM 0 HA ASN A 58 11.669 -1.911 -5.986 1.00 54.44 H new ATOM 0 HB2 ASN A 58 12.184 0.404 -5.205 1.00 23.53 H new ATOM 0 HB3 ASN A 58 12.751 -0.232 -3.673 1.00 23.53 H new ATOM 0 HD21 ASN A 58 15.155 -0.307 -7.003 1.00 2.40 H new ATOM 0 HD22 ASN A 58 13.453 0.156 -7.095 1.00 2.40 H new ATOM 900 N GLU A 59 13.272 -3.641 -5.035 1.00 73.20 N ATOM 901 CA GLU A 59 13.976 -4.835 -4.532 1.00 32.15 C ATOM 902 C GLU A 59 14.758 -4.550 -3.234 1.00 53.32 C ATOM 903 O GLU A 59 14.658 -5.297 -2.262 1.00 20.31 O ATOM 904 CB GLU A 59 14.934 -5.376 -5.604 1.00 12.52 C ATOM 905 CG GLU A 59 15.778 -6.570 -5.154 1.00 71.13 C ATOM 906 CD GLU A 59 14.961 -7.816 -4.827 1.00 63.32 C ATOM 907 OE1 GLU A 59 14.504 -7.959 -3.676 1.00 62.21 O ATOM 908 OE2 GLU A 59 14.788 -8.675 -5.715 1.00 65.15 O ATOM 0 H GLU A 59 13.468 -3.423 -6.012 1.00 73.20 H new ATOM 0 HA GLU A 59 13.216 -5.582 -4.303 1.00 32.15 H new ATOM 0 HB2 GLU A 59 14.353 -5.667 -6.479 1.00 12.52 H new ATOM 0 HB3 GLU A 59 15.601 -4.573 -5.916 1.00 12.52 H new ATOM 0 HG2 GLU A 59 16.494 -6.813 -5.939 1.00 71.13 H new ATOM 0 HG3 GLU A 59 16.354 -6.284 -4.274 1.00 71.13 H new ATOM 915 N GLU A 60 15.522 -3.461 -3.218 1.00 15.13 N ATOM 916 CA GLU A 60 16.377 -3.130 -2.069 1.00 65.24 C ATOM 917 C GLU A 60 15.565 -2.881 -0.790 1.00 33.33 C ATOM 918 O GLU A 60 15.946 -3.327 0.295 1.00 44.52 O ATOM 919 CB GLU A 60 17.258 -1.920 -2.401 1.00 54.42 C ATOM 920 CG GLU A 60 18.184 -2.158 -3.591 1.00 32.12 C ATOM 921 CD GLU A 60 19.174 -3.292 -3.349 1.00 34.33 C ATOM 922 OE1 GLU A 60 18.798 -4.473 -3.506 1.00 15.13 O ATOM 923 OE2 GLU A 60 20.336 -3.007 -2.998 1.00 62.24 O ATOM 0 H GLU A 60 15.570 -2.790 -3.984 1.00 15.13 H new ATOM 0 HA GLU A 60 17.014 -3.993 -1.873 1.00 65.24 H new ATOM 0 HB2 GLU A 60 16.620 -1.061 -2.611 1.00 54.42 H new ATOM 0 HB3 GLU A 60 17.858 -1.665 -1.527 1.00 54.42 H new ATOM 0 HG2 GLU A 60 17.585 -2.386 -4.472 1.00 32.12 H new ATOM 0 HG3 GLU A 60 18.733 -1.242 -3.808 1.00 32.12 H new ATOM 930 N ASP A 61 14.450 -2.168 -0.911 1.00 20.23 N ATOM 931 CA ASP A 61 13.542 -1.969 0.222 1.00 72.13 C ATOM 932 C ASP A 61 12.805 -3.277 0.560 1.00 60.33 C ATOM 933 O ASP A 61 12.467 -3.545 1.718 1.00 40.33 O ATOM 934 CB ASP A 61 12.539 -0.860 -0.094 1.00 23.43 C ATOM 935 CG ASP A 61 13.225 0.451 -0.432 1.00 73.24 C ATOM 936 OD1 ASP A 61 14.005 0.952 0.409 1.00 54.14 O ATOM 937 OD2 ASP A 61 13.009 0.973 -1.541 1.00 22.33 O ATOM 0 H ASP A 61 14.151 -1.719 -1.776 1.00 20.23 H new ATOM 0 HA ASP A 61 14.131 -1.672 1.090 1.00 72.13 H new ATOM 0 HB2 ASP A 61 11.912 -1.167 -0.931 1.00 23.43 H new ATOM 0 HB3 ASP A 61 11.880 -0.714 0.762 1.00 23.43 H new ATOM 942 N TRP A 62 12.582 -4.092 -0.469 1.00 34.35 N ATOM 943 CA TRP A 62 11.921 -5.393 -0.328 1.00 1.50 C ATOM 944 C TRP A 62 12.685 -6.319 0.634 1.00 41.11 C ATOM 945 O TRP A 62 12.103 -6.871 1.573 1.00 51.02 O ATOM 946 CB TRP A 62 11.804 -6.055 -1.705 1.00 14.31 C ATOM 947 CG TRP A 62 10.963 -7.290 -1.717 1.00 71.10 C ATOM 948 CD1 TRP A 62 11.385 -8.583 -1.573 1.00 53.05 C ATOM 949 CD2 TRP A 62 9.548 -7.343 -1.880 1.00 31.31 C ATOM 950 NE1 TRP A 62 10.311 -9.433 -1.646 1.00 1.21 N ATOM 951 CE2 TRP A 62 9.174 -8.694 -1.833 1.00 45.33 C ATOM 952 CE3 TRP A 62 8.559 -6.375 -2.067 1.00 55.02 C ATOM 953 CZ2 TRP A 62 7.853 -9.099 -1.959 1.00 34.04 C ATOM 954 CZ3 TRP A 62 7.250 -6.781 -2.192 1.00 64.25 C ATOM 955 CH2 TRP A 62 6.907 -8.135 -2.141 1.00 54.04 C ATOM 0 H TRP A 62 12.854 -3.871 -1.427 1.00 34.35 H new ATOM 0 HA TRP A 62 10.929 -5.226 0.093 1.00 1.50 H new ATOM 0 HB2 TRP A 62 11.384 -5.335 -2.408 1.00 14.31 H new ATOM 0 HB3 TRP A 62 12.803 -6.305 -2.063 1.00 14.31 H new ATOM 0 HD1 TRP A 62 12.410 -8.889 -1.424 1.00 53.05 H new ATOM 0 HE1 TRP A 62 10.353 -10.450 -1.573 1.00 1.21 H new ATOM 0 HE3 TRP A 62 8.817 -5.327 -2.113 1.00 55.02 H new ATOM 0 HZ2 TRP A 62 7.583 -10.144 -1.914 1.00 34.04 H new ATOM 0 HZ3 TRP A 62 6.475 -6.042 -2.332 1.00 64.25 H new ATOM 0 HH2 TRP A 62 5.872 -8.423 -2.248 1.00 54.04 H new ATOM 966 N ASN A 63 13.985 -6.503 0.391 1.00 53.14 N ATOM 967 CA ASN A 63 14.814 -7.338 1.272 1.00 42.32 C ATOM 968 C ASN A 63 15.072 -6.652 2.625 1.00 50.54 C ATOM 969 O ASN A 63 15.207 -7.322 3.650 1.00 54.15 O ATOM 970 CB ASN A 63 16.145 -7.729 0.600 1.00 63.02 C ATOM 971 CG ASN A 63 16.910 -6.552 0.022 1.00 3.14 C ATOM 972 OD1 ASN A 63 16.756 -6.326 -1.266 1.00 73.12 O flip ATOM 973 ND2 ASN A 63 17.649 -5.866 0.717 1.00 4.12 N flip ATOM 0 H ASN A 63 14.484 -6.092 -0.398 1.00 53.14 H new ATOM 0 HA ASN A 63 14.252 -8.253 1.460 1.00 42.32 H new ATOM 0 HB2 ASN A 63 16.775 -8.236 1.331 1.00 63.02 H new ATOM 0 HB3 ASN A 63 15.942 -8.445 -0.197 1.00 63.02 H new ATOM 0 HD21 ASN A 63 17.746 -6.068 1.712 1.00 4.12 H new ATOM 0 HD22 ASN A 63 18.168 -5.093 0.301 1.00 4.12 H new ATOM 980 N ALA A 64 15.114 -5.318 2.626 1.00 73.03 N ATOM 981 CA ALA A 64 15.290 -4.544 3.866 1.00 40.54 C ATOM 982 C ALA A 64 14.178 -4.839 4.887 1.00 53.14 C ATOM 983 O ALA A 64 14.438 -5.012 6.078 1.00 10.12 O ATOM 984 CB ALA A 64 15.331 -3.053 3.551 1.00 73.20 C ATOM 0 H ALA A 64 15.029 -4.748 1.785 1.00 73.03 H new ATOM 0 HA ALA A 64 16.237 -4.847 4.313 1.00 40.54 H new ATOM 0 HB1 ALA A 64 15.461 -2.489 4.475 1.00 73.20 H new ATOM 0 HB2 ALA A 64 16.164 -2.846 2.879 1.00 73.20 H new ATOM 0 HB3 ALA A 64 14.397 -2.756 3.074 1.00 73.20 H new ATOM 990 N LEU A 65 12.936 -4.890 4.408 1.00 14.30 N ATOM 991 CA LEU A 65 11.781 -5.193 5.266 1.00 73.22 C ATOM 992 C LEU A 65 11.501 -6.705 5.345 1.00 11.54 C ATOM 993 O LEU A 65 10.625 -7.142 6.094 1.00 63.34 O ATOM 994 CB LEU A 65 10.535 -4.461 4.745 1.00 5.45 C ATOM 995 CG LEU A 65 10.613 -2.925 4.774 1.00 11.11 C ATOM 996 CD1 LEU A 65 9.351 -2.308 4.174 1.00 42.22 C ATOM 997 CD2 LEU A 65 10.839 -2.420 6.200 1.00 23.44 C ATOM 0 H LEU A 65 12.699 -4.726 3.430 1.00 14.30 H new ATOM 0 HA LEU A 65 12.020 -4.847 6.272 1.00 73.22 H new ATOM 0 HB2 LEU A 65 10.350 -4.779 3.719 1.00 5.45 H new ATOM 0 HB3 LEU A 65 9.675 -4.776 5.337 1.00 5.45 H new ATOM 0 HG LEU A 65 11.464 -2.616 4.166 1.00 11.11 H new ATOM 0 HD11 LEU A 65 9.427 -1.221 4.205 1.00 42.22 H new ATOM 0 HD12 LEU A 65 9.242 -2.635 3.140 1.00 42.22 H new ATOM 0 HD13 LEU A 65 8.481 -2.627 4.749 1.00 42.22 H new ATOM 0 HD21 LEU A 65 10.891 -1.331 6.196 1.00 23.44 H new ATOM 0 HD22 LEU A 65 10.014 -2.742 6.835 1.00 23.44 H new ATOM 0 HD23 LEU A 65 11.774 -2.827 6.586 1.00 23.44 H new ATOM 1009 N GLY A 66 12.246 -7.499 4.574 1.00 31.34 N ATOM 1010 CA GLY A 66 12.024 -8.944 4.536 1.00 75.41 C ATOM 1011 C GLY A 66 10.626 -9.319 4.054 1.00 32.22 C ATOM 1012 O GLY A 66 9.920 -10.100 4.697 1.00 64.22 O ATOM 0 H GLY A 66 13.001 -7.169 3.973 1.00 31.34 H new ATOM 0 HA2 GLY A 66 12.764 -9.403 3.880 1.00 75.41 H new ATOM 0 HA3 GLY A 66 12.182 -9.357 5.532 1.00 75.41 H new ATOM 1016 N LEU A 67 10.223 -8.753 2.921 1.00 51.10 N ATOM 1017 CA LEU A 67 8.890 -8.996 2.357 1.00 60.32 C ATOM 1018 C LEU A 67 8.872 -10.212 1.411 1.00 53.41 C ATOM 1019 O LEU A 67 9.920 -10.681 0.957 1.00 3.53 O ATOM 1020 CB LEU A 67 8.411 -7.742 1.615 1.00 62.54 C ATOM 1021 CG LEU A 67 8.348 -6.468 2.473 1.00 0.41 C ATOM 1022 CD1 LEU A 67 7.921 -5.268 1.634 1.00 63.22 C ATOM 1023 CD2 LEU A 67 7.410 -6.668 3.667 1.00 11.33 C ATOM 0 H LEU A 67 10.800 -8.119 2.369 1.00 51.10 H new ATOM 0 HA LEU A 67 8.214 -9.220 3.182 1.00 60.32 H new ATOM 0 HB2 LEU A 67 9.075 -7.561 0.770 1.00 62.54 H new ATOM 0 HB3 LEU A 67 7.420 -7.936 1.205 1.00 62.54 H new ATOM 0 HG LEU A 67 9.347 -6.266 2.859 1.00 0.41 H new ATOM 0 HD11 LEU A 67 7.884 -4.379 2.263 1.00 63.22 H new ATOM 0 HD12 LEU A 67 8.639 -5.113 0.829 1.00 63.22 H new ATOM 0 HD13 LEU A 67 6.934 -5.453 1.209 1.00 63.22 H new ATOM 0 HD21 LEU A 67 7.379 -5.755 4.262 1.00 11.33 H new ATOM 0 HD22 LEU A 67 6.408 -6.901 3.307 1.00 11.33 H new ATOM 0 HD23 LEU A 67 7.775 -7.490 4.283 1.00 11.33 H new ATOM 1035 N GLN A 68 7.673 -10.710 1.117 1.00 41.13 N ATOM 1036 CA GLN A 68 7.494 -11.866 0.236 1.00 32.10 C ATOM 1037 C GLN A 68 6.147 -11.776 -0.488 1.00 31.24 C ATOM 1038 O GLN A 68 5.093 -11.806 0.148 1.00 3.21 O ATOM 1039 CB GLN A 68 7.566 -13.160 1.046 1.00 41.31 C ATOM 1040 CG GLN A 68 7.624 -14.423 0.196 1.00 62.24 C ATOM 1041 CD GLN A 68 7.870 -15.679 1.017 1.00 44.31 C ATOM 1042 OE1 GLN A 68 7.487 -15.765 2.180 1.00 55.31 O ATOM 1043 NE2 GLN A 68 8.506 -16.666 0.419 1.00 65.23 N ATOM 0 H GLN A 68 6.800 -10.327 1.480 1.00 41.13 H new ATOM 0 HA GLN A 68 8.293 -11.868 -0.506 1.00 32.10 H new ATOM 0 HB2 GLN A 68 8.446 -13.126 1.688 1.00 41.31 H new ATOM 0 HB3 GLN A 68 6.696 -13.215 1.701 1.00 41.31 H new ATOM 0 HG2 GLN A 68 6.687 -14.530 -0.351 1.00 62.24 H new ATOM 0 HG3 GLN A 68 8.416 -14.319 -0.546 1.00 62.24 H new ATOM 0 HE21 GLN A 68 8.812 -16.564 -0.549 1.00 65.23 H new ATOM 0 HE22 GLN A 68 8.693 -17.532 0.924 1.00 65.23 H new ATOM 1052 N GLU A 69 6.202 -11.712 -1.816 1.00 43.35 N ATOM 1053 CA GLU A 69 5.036 -11.369 -2.655 1.00 3.53 C ATOM 1054 C GLU A 69 3.733 -12.005 -2.170 1.00 70.31 C ATOM 1055 O GLU A 69 3.498 -13.202 -2.344 1.00 32.33 O ATOM 1056 CB GLU A 69 5.279 -11.749 -4.119 1.00 31.04 C ATOM 1057 CG GLU A 69 6.504 -11.078 -4.718 1.00 62.24 C ATOM 1058 CD GLU A 69 7.773 -11.897 -4.527 1.00 62.10 C ATOM 1059 OE1 GLU A 69 8.002 -12.834 -5.321 1.00 54.14 O ATOM 1060 OE2 GLU A 69 8.527 -11.627 -3.574 1.00 34.11 O ATOM 0 H GLU A 69 7.052 -11.895 -2.349 1.00 43.35 H new ATOM 0 HA GLU A 69 4.920 -10.288 -2.570 1.00 3.53 H new ATOM 0 HB2 GLU A 69 5.393 -12.831 -4.192 1.00 31.04 H new ATOM 0 HB3 GLU A 69 4.402 -11.480 -4.707 1.00 31.04 H new ATOM 0 HG2 GLU A 69 6.339 -10.913 -5.783 1.00 62.24 H new ATOM 0 HG3 GLU A 69 6.637 -10.098 -4.261 1.00 62.24 H new ATOM 1067 N GLY A 70 2.888 -11.179 -1.576 1.00 55.35 N ATOM 1068 CA GLY A 70 1.624 -11.654 -1.029 1.00 74.34 C ATOM 1069 C GLY A 70 1.471 -11.402 0.471 1.00 14.12 C ATOM 1070 O GLY A 70 0.380 -11.583 1.017 1.00 13.22 O ATOM 0 H GLY A 70 3.052 -10.179 -1.459 1.00 55.35 H new ATOM 0 HA2 GLY A 70 0.804 -11.166 -1.556 1.00 74.34 H new ATOM 0 HA3 GLY A 70 1.534 -12.723 -1.220 1.00 74.34 H new ATOM 1074 N ASP A 71 2.550 -11.000 1.151 1.00 45.21 N ATOM 1075 CA ASP A 71 2.462 -10.671 2.584 1.00 43.34 C ATOM 1076 C ASP A 71 1.906 -9.252 2.799 1.00 53.22 C ATOM 1077 O ASP A 71 1.651 -8.522 1.838 1.00 21.34 O ATOM 1078 CB ASP A 71 3.820 -10.858 3.289 1.00 0.04 C ATOM 1079 CG ASP A 71 4.931 -9.966 2.760 1.00 73.14 C ATOM 1080 OD1 ASP A 71 4.863 -9.530 1.599 1.00 64.45 O ATOM 1081 OD2 ASP A 71 5.901 -9.729 3.513 1.00 50.43 O ATOM 0 H ASP A 71 3.480 -10.895 0.745 1.00 45.21 H new ATOM 0 HA ASP A 71 1.760 -11.370 3.039 1.00 43.34 H new ATOM 0 HB2 ASP A 71 3.692 -10.665 4.354 1.00 0.04 H new ATOM 0 HB3 ASP A 71 4.127 -11.899 3.188 1.00 0.04 H new ATOM 1086 N ARG A 72 1.711 -8.866 4.060 1.00 41.31 N ATOM 1087 CA ARG A 72 1.040 -7.598 4.381 1.00 1.21 C ATOM 1088 C ARG A 72 2.042 -6.480 4.696 1.00 31.13 C ATOM 1089 O ARG A 72 2.933 -6.640 5.534 1.00 71.20 O ATOM 1090 CB ARG A 72 0.082 -7.761 5.575 1.00 63.50 C ATOM 1091 CG ARG A 72 -1.042 -8.779 5.368 1.00 5.44 C ATOM 1092 CD ARG A 72 -0.557 -10.214 5.539 1.00 21.14 C ATOM 1093 NE ARG A 72 -1.649 -11.181 5.449 1.00 70.24 N ATOM 1094 CZ ARG A 72 -2.172 -11.795 6.476 1.00 22.34 C ATOM 1095 NH1 ARG A 72 -1.811 -11.485 7.683 1.00 23.33 N ATOM 1096 NH2 ARG A 72 -3.083 -12.694 6.293 1.00 51.20 N ATOM 0 H ARG A 72 2.005 -9.406 4.874 1.00 41.31 H new ATOM 0 HA ARG A 72 0.473 -7.319 3.493 1.00 1.21 H new ATOM 0 HB2 ARG A 72 0.662 -8.056 6.449 1.00 63.50 H new ATOM 0 HB3 ARG A 72 -0.363 -6.792 5.800 1.00 63.50 H new ATOM 0 HG2 ARG A 72 -1.845 -8.581 6.079 1.00 5.44 H new ATOM 0 HG3 ARG A 72 -1.462 -8.656 4.370 1.00 5.44 H new ATOM 0 HD2 ARG A 72 0.188 -10.437 4.775 1.00 21.14 H new ATOM 0 HD3 ARG A 72 -0.063 -10.316 6.505 1.00 21.14 H new ATOM 0 HE ARG A 72 -2.027 -11.390 4.525 1.00 70.24 H new ATOM 0 HH11 ARG A 72 -1.114 -10.757 7.835 1.00 23.33 H new ATOM 0 HH12 ARG A 72 -2.225 -11.970 8.479 1.00 23.33 H new ATOM 0 HH21 ARG A 72 -3.392 -12.922 5.348 1.00 51.20 H new ATOM 0 HH22 ARG A 72 -3.493 -13.175 7.094 1.00 51.20 H new ATOM 1110 N VAL A 73 1.875 -5.343 4.028 1.00 23.13 N ATOM 1111 CA VAL A 73 2.677 -4.148 4.308 1.00 32.41 C ATOM 1112 C VAL A 73 1.802 -2.968 4.753 1.00 34.43 C ATOM 1113 O VAL A 73 0.741 -2.705 4.180 1.00 52.13 O ATOM 1114 CB VAL A 73 3.525 -3.712 3.086 1.00 41.12 C ATOM 1115 CG1 VAL A 73 4.654 -4.703 2.834 1.00 71.35 C ATOM 1116 CG2 VAL A 73 2.655 -3.551 1.839 1.00 10.11 C ATOM 0 H VAL A 73 1.188 -5.220 3.284 1.00 23.13 H new ATOM 0 HA VAL A 73 3.349 -4.425 5.121 1.00 32.41 H new ATOM 0 HB VAL A 73 3.965 -2.741 3.312 1.00 41.12 H new ATOM 0 HG11 VAL A 73 5.237 -4.379 1.972 1.00 71.35 H new ATOM 0 HG12 VAL A 73 5.299 -4.751 3.711 1.00 71.35 H new ATOM 0 HG13 VAL A 73 4.235 -5.690 2.638 1.00 71.35 H new ATOM 0 HG21 VAL A 73 3.277 -3.245 0.998 1.00 10.11 H new ATOM 0 HG22 VAL A 73 2.173 -4.501 1.607 1.00 10.11 H new ATOM 0 HG23 VAL A 73 1.894 -2.793 2.022 1.00 10.11 H new ATOM 1126 N LYS A 74 2.248 -2.278 5.794 1.00 24.04 N ATOM 1127 CA LYS A 74 1.581 -1.072 6.273 1.00 54.12 C ATOM 1128 C LYS A 74 2.123 0.174 5.557 1.00 55.44 C ATOM 1129 O LYS A 74 3.327 0.434 5.558 1.00 3.23 O ATOM 1130 CB LYS A 74 1.773 -0.928 7.788 1.00 73.55 C ATOM 1131 CG LYS A 74 1.168 0.350 8.370 1.00 12.23 C ATOM 1132 CD LYS A 74 -0.359 0.356 8.309 1.00 53.15 C ATOM 1133 CE LYS A 74 -0.970 -0.589 9.338 1.00 21.14 C ATOM 1134 NZ LYS A 74 -0.663 -0.169 10.735 1.00 64.53 N ATOM 0 H LYS A 74 3.078 -2.535 6.329 1.00 24.04 H new ATOM 0 HA LYS A 74 0.517 -1.161 6.053 1.00 54.12 H new ATOM 0 HB2 LYS A 74 1.326 -1.789 8.285 1.00 73.55 H new ATOM 0 HB3 LYS A 74 2.839 -0.949 8.013 1.00 73.55 H new ATOM 0 HG2 LYS A 74 1.487 0.460 9.406 1.00 12.23 H new ATOM 0 HG3 LYS A 74 1.553 1.211 7.825 1.00 12.23 H new ATOM 0 HD2 LYS A 74 -0.726 1.368 8.482 1.00 53.15 H new ATOM 0 HD3 LYS A 74 -0.684 0.065 7.310 1.00 53.15 H new ATOM 0 HE2 LYS A 74 -2.051 -0.625 9.200 1.00 21.14 H new ATOM 0 HE3 LYS A 74 -0.593 -1.598 9.172 1.00 21.14 H new ATOM 0 HZ1 LYS A 74 -1.231 -0.732 11.400 1.00 64.53 H new ATOM 0 HZ2 LYS A 74 0.348 -0.320 10.929 1.00 64.53 H new ATOM 0 HZ3 LYS A 74 -0.891 0.839 10.853 1.00 64.53 H new ATOM 1148 N VAL A 75 1.225 0.943 4.960 1.00 4.41 N ATOM 1149 CA VAL A 75 1.590 2.180 4.266 1.00 74.33 C ATOM 1150 C VAL A 75 1.086 3.385 5.062 1.00 11.22 C ATOM 1151 O VAL A 75 -0.096 3.467 5.385 1.00 53.54 O ATOM 1152 CB VAL A 75 1.003 2.222 2.830 1.00 65.22 C ATOM 1153 CG1 VAL A 75 1.425 3.502 2.107 1.00 11.23 C ATOM 1154 CG2 VAL A 75 1.421 0.982 2.036 1.00 40.44 C ATOM 0 H VAL A 75 0.227 0.734 4.940 1.00 4.41 H new ATOM 0 HA VAL A 75 2.677 2.214 4.188 1.00 74.33 H new ATOM 0 HB VAL A 75 -0.084 2.222 2.908 1.00 65.22 H new ATOM 0 HG11 VAL A 75 1.002 3.509 1.103 1.00 11.23 H new ATOM 0 HG12 VAL A 75 1.062 4.369 2.660 1.00 11.23 H new ATOM 0 HG13 VAL A 75 2.512 3.542 2.043 1.00 11.23 H new ATOM 0 HG21 VAL A 75 0.998 1.033 1.033 1.00 40.44 H new ATOM 0 HG22 VAL A 75 2.508 0.942 1.970 1.00 40.44 H new ATOM 0 HG23 VAL A 75 1.055 0.087 2.539 1.00 40.44 H new ATOM 1164 N LYS A 76 1.986 4.307 5.389 1.00 5.51 N ATOM 1165 CA LYS A 76 1.655 5.437 6.268 1.00 22.44 C ATOM 1166 C LYS A 76 2.143 6.772 5.700 1.00 11.01 C ATOM 1167 O LYS A 76 3.290 6.901 5.274 1.00 21.20 O ATOM 1168 CB LYS A 76 2.264 5.200 7.654 1.00 64.30 C ATOM 1169 CG LYS A 76 1.641 4.016 8.389 1.00 53.32 C ATOM 1170 CD LYS A 76 2.618 3.358 9.352 1.00 33.23 C ATOM 1171 CE LYS A 76 3.065 4.297 10.469 1.00 34.15 C ATOM 1172 NZ LYS A 76 3.961 3.614 11.441 1.00 22.04 N ATOM 0 H LYS A 76 2.952 4.299 5.061 1.00 5.51 H new ATOM 0 HA LYS A 76 0.569 5.496 6.343 1.00 22.44 H new ATOM 0 HB2 LYS A 76 3.336 5.031 7.549 1.00 64.30 H new ATOM 0 HB3 LYS A 76 2.141 6.100 8.257 1.00 64.30 H new ATOM 0 HG2 LYS A 76 0.763 4.354 8.939 1.00 53.32 H new ATOM 0 HG3 LYS A 76 1.298 3.279 7.662 1.00 53.32 H new ATOM 0 HD2 LYS A 76 2.152 2.475 9.790 1.00 33.23 H new ATOM 0 HD3 LYS A 76 3.493 3.016 8.799 1.00 33.23 H new ATOM 0 HE2 LYS A 76 3.583 5.154 10.038 1.00 34.15 H new ATOM 0 HE3 LYS A 76 2.190 4.683 10.991 1.00 34.15 H new ATOM 0 HZ1 LYS A 76 4.416 4.323 12.051 1.00 22.04 H new ATOM 0 HZ2 LYS A 76 3.404 2.960 12.027 1.00 22.04 H new ATOM 0 HZ3 LYS A 76 4.690 3.081 10.926 1.00 22.04 H new ATOM 1186 N THR A 77 1.265 7.763 5.715 1.00 52.22 N ATOM 1187 CA THR A 77 1.572 9.103 5.189 1.00 53.42 C ATOM 1188 C THR A 77 1.065 10.193 6.138 1.00 60.32 C ATOM 1189 O THR A 77 0.659 9.918 7.269 1.00 33.34 O ATOM 1190 CB THR A 77 0.927 9.354 3.804 1.00 53.35 C ATOM 1191 OG1 THR A 77 -0.500 9.428 3.942 1.00 52.54 O ATOM 1192 CG2 THR A 77 1.301 8.263 2.800 1.00 24.41 C ATOM 0 H THR A 77 0.320 7.671 6.089 1.00 52.22 H new ATOM 0 HA THR A 77 2.657 9.145 5.095 1.00 53.42 H new ATOM 0 HB THR A 77 1.309 10.300 3.420 1.00 53.35 H new ATOM 0 HG1 THR A 77 -0.917 9.380 3.057 1.00 52.54 H new ATOM 0 HG21 THR A 77 0.829 8.474 1.840 1.00 24.41 H new ATOM 0 HG22 THR A 77 2.384 8.239 2.675 1.00 24.41 H new ATOM 0 HG23 THR A 77 0.957 7.296 3.168 1.00 24.41 H new ATOM 1200 N GLU A 78 1.113 11.438 5.675 1.00 13.32 N ATOM 1201 CA GLU A 78 0.577 12.572 6.434 1.00 71.03 C ATOM 1202 C GLU A 78 -0.963 12.635 6.355 1.00 2.41 C ATOM 1203 O GLU A 78 -1.592 13.463 7.017 1.00 71.24 O ATOM 1204 CB GLU A 78 1.184 13.875 5.900 1.00 63.11 C ATOM 1205 CG GLU A 78 0.836 14.167 4.442 1.00 24.20 C ATOM 1206 CD GLU A 78 1.689 15.274 3.849 1.00 21.25 C ATOM 1207 OE1 GLU A 78 1.304 16.455 3.957 1.00 64.32 O ATOM 1208 OE2 GLU A 78 2.760 14.963 3.282 1.00 72.52 O ATOM 0 H GLU A 78 1.519 11.692 4.774 1.00 13.32 H new ATOM 0 HA GLU A 78 0.847 12.438 7.482 1.00 71.03 H new ATOM 0 HB2 GLU A 78 0.841 14.704 6.518 1.00 63.11 H new ATOM 0 HB3 GLU A 78 2.268 13.828 6.002 1.00 63.11 H new ATOM 0 HG2 GLU A 78 0.964 13.259 3.853 1.00 24.20 H new ATOM 0 HG3 GLU A 78 -0.215 14.446 4.372 1.00 24.20 H new ATOM 1215 N PHE A 79 -1.560 11.767 5.530 1.00 1.11 N ATOM 1216 CA PHE A 79 -3.023 11.708 5.375 1.00 71.14 C ATOM 1217 C PHE A 79 -3.633 10.562 6.198 1.00 25.50 C ATOM 1218 O PHE A 79 -4.644 10.742 6.874 1.00 11.42 O ATOM 1219 CB PHE A 79 -3.402 11.546 3.893 1.00 74.15 C ATOM 1220 CG PHE A 79 -2.978 12.710 3.034 1.00 11.13 C ATOM 1221 CD1 PHE A 79 -3.791 13.826 2.906 1.00 15.34 C ATOM 1222 CD2 PHE A 79 -1.766 12.689 2.360 1.00 44.02 C ATOM 1223 CE1 PHE A 79 -3.404 14.898 2.127 1.00 3.25 C ATOM 1224 CE2 PHE A 79 -1.374 13.758 1.580 1.00 61.52 C ATOM 1225 CZ PHE A 79 -2.193 14.864 1.462 1.00 73.43 C ATOM 0 H PHE A 79 -1.053 11.093 4.957 1.00 1.11 H new ATOM 0 HA PHE A 79 -3.429 12.648 5.749 1.00 71.14 H new ATOM 0 HB2 PHE A 79 -2.946 10.634 3.507 1.00 74.15 H new ATOM 0 HB3 PHE A 79 -4.482 11.420 3.814 1.00 74.15 H new ATOM 0 HD1 PHE A 79 -4.739 13.857 3.422 1.00 15.34 H new ATOM 0 HD2 PHE A 79 -1.122 11.826 2.447 1.00 44.02 H new ATOM 0 HE1 PHE A 79 -4.046 15.762 2.037 1.00 3.25 H new ATOM 0 HE2 PHE A 79 -0.427 13.730 1.062 1.00 61.52 H new ATOM 0 HZ PHE A 79 -1.888 15.701 0.851 1.00 73.43 H new ATOM 1235 N GLY A 80 -3.016 9.383 6.135 1.00 40.31 N ATOM 1236 CA GLY A 80 -3.526 8.231 6.877 1.00 42.35 C ATOM 1237 C GLY A 80 -2.667 6.982 6.718 1.00 73.31 C ATOM 1238 O GLY A 80 -1.460 7.074 6.476 1.00 1.12 O ATOM 0 H GLY A 80 -2.175 9.201 5.587 1.00 40.31 H new ATOM 0 HA2 GLY A 80 -3.589 8.488 7.934 1.00 42.35 H new ATOM 0 HA3 GLY A 80 -4.540 8.011 6.541 1.00 42.35 H new ATOM 1242 N GLU A 81 -3.288 5.809 6.848 1.00 20.52 N ATOM 1243 CA GLU A 81 -2.562 4.536 6.756 1.00 35.42 C ATOM 1244 C GLU A 81 -3.470 3.400 6.254 1.00 61.04 C ATOM 1245 O GLU A 81 -4.685 3.419 6.460 1.00 10.22 O ATOM 1246 CB GLU A 81 -1.965 4.161 8.122 1.00 15.11 C ATOM 1247 CG GLU A 81 -3.006 3.903 9.208 1.00 34.42 C ATOM 1248 CD GLU A 81 -2.385 3.535 10.547 1.00 3.20 C ATOM 1249 OE1 GLU A 81 -1.821 2.423 10.664 1.00 22.31 O ATOM 1250 OE2 GLU A 81 -2.467 4.345 11.493 1.00 5.21 O ATOM 0 H GLU A 81 -4.289 5.711 7.017 1.00 20.52 H new ATOM 0 HA GLU A 81 -1.757 4.669 6.033 1.00 35.42 H new ATOM 0 HB2 GLU A 81 -1.349 3.269 8.005 1.00 15.11 H new ATOM 0 HB3 GLU A 81 -1.304 4.963 8.450 1.00 15.11 H new ATOM 0 HG2 GLU A 81 -3.623 4.793 9.332 1.00 34.42 H new ATOM 0 HG3 GLU A 81 -3.668 3.099 8.887 1.00 34.42 H new ATOM 1257 N VAL A 82 -2.868 2.405 5.598 1.00 24.41 N ATOM 1258 CA VAL A 82 -3.616 1.254 5.067 1.00 51.15 C ATOM 1259 C VAL A 82 -2.731 -0.007 4.988 1.00 35.14 C ATOM 1260 O VAL A 82 -1.507 0.090 4.889 1.00 43.03 O ATOM 1261 CB VAL A 82 -4.195 1.574 3.659 1.00 64.23 C ATOM 1262 CG1 VAL A 82 -3.079 1.705 2.622 1.00 61.22 C ATOM 1263 CG2 VAL A 82 -5.230 0.534 3.227 1.00 52.34 C ATOM 0 H VAL A 82 -1.864 2.370 5.420 1.00 24.41 H new ATOM 0 HA VAL A 82 -4.437 1.057 5.756 1.00 51.15 H new ATOM 0 HB VAL A 82 -4.706 2.535 3.726 1.00 64.23 H new ATOM 0 HG11 VAL A 82 -3.512 1.929 1.647 1.00 61.22 H new ATOM 0 HG12 VAL A 82 -2.405 2.511 2.913 1.00 61.22 H new ATOM 0 HG13 VAL A 82 -2.523 0.769 2.566 1.00 61.22 H new ATOM 0 HG21 VAL A 82 -5.613 0.790 2.239 1.00 52.34 H new ATOM 0 HG22 VAL A 82 -4.764 -0.451 3.192 1.00 52.34 H new ATOM 0 HG23 VAL A 82 -6.052 0.520 3.942 1.00 52.34 H new ATOM 1273 N VAL A 83 -3.355 -1.190 5.051 1.00 2.44 N ATOM 1274 CA VAL A 83 -2.632 -2.469 4.915 1.00 10.01 C ATOM 1275 C VAL A 83 -2.958 -3.143 3.571 1.00 25.23 C ATOM 1276 O VAL A 83 -4.120 -3.453 3.297 1.00 2.01 O ATOM 1277 CB VAL A 83 -2.986 -3.459 6.057 1.00 14.04 C ATOM 1278 CG1 VAL A 83 -2.104 -4.705 5.984 1.00 33.05 C ATOM 1279 CG2 VAL A 83 -2.867 -2.794 7.425 1.00 52.32 C ATOM 0 H VAL A 83 -4.360 -1.292 5.195 1.00 2.44 H new ATOM 0 HA VAL A 83 -1.570 -2.230 4.967 1.00 10.01 H new ATOM 0 HB VAL A 83 -4.024 -3.763 5.924 1.00 14.04 H new ATOM 0 HG11 VAL A 83 -2.368 -5.386 6.793 1.00 33.05 H new ATOM 0 HG12 VAL A 83 -2.256 -5.203 5.026 1.00 33.05 H new ATOM 0 HG13 VAL A 83 -1.057 -4.416 6.080 1.00 33.05 H new ATOM 0 HG21 VAL A 83 -3.122 -3.514 8.203 1.00 52.32 H new ATOM 0 HG22 VAL A 83 -1.845 -2.446 7.573 1.00 52.32 H new ATOM 0 HG23 VAL A 83 -3.550 -1.946 7.478 1.00 52.32 H new ATOM 1289 N VAL A 84 -1.936 -3.377 2.745 1.00 51.50 N ATOM 1290 CA VAL A 84 -2.130 -3.994 1.419 1.00 35.42 C ATOM 1291 C VAL A 84 -1.167 -5.173 1.185 1.00 2.20 C ATOM 1292 O VAL A 84 -0.268 -5.425 1.992 1.00 23.33 O ATOM 1293 CB VAL A 84 -1.934 -2.957 0.278 1.00 72.54 C ATOM 1294 CG1 VAL A 84 -2.923 -1.804 0.407 1.00 72.03 C ATOM 1295 CG2 VAL A 84 -0.498 -2.433 0.257 1.00 65.04 C ATOM 0 H VAL A 84 -0.966 -3.151 2.965 1.00 51.50 H new ATOM 0 HA VAL A 84 -3.155 -4.365 1.404 1.00 35.42 H new ATOM 0 HB VAL A 84 -2.127 -3.464 -0.667 1.00 72.54 H new ATOM 0 HG11 VAL A 84 -2.762 -1.094 -0.405 1.00 72.03 H new ATOM 0 HG12 VAL A 84 -3.941 -2.190 0.355 1.00 72.03 H new ATOM 0 HG13 VAL A 84 -2.774 -1.302 1.363 1.00 72.03 H new ATOM 0 HG21 VAL A 84 -0.387 -1.709 -0.550 1.00 65.04 H new ATOM 0 HG22 VAL A 84 -0.272 -1.953 1.209 1.00 65.04 H new ATOM 0 HG23 VAL A 84 0.190 -3.263 0.097 1.00 65.04 H new ATOM 1305 N PHE A 85 -1.371 -5.893 0.077 1.00 41.12 N ATOM 1306 CA PHE A 85 -0.461 -6.972 -0.332 1.00 13.23 C ATOM 1307 C PHE A 85 0.828 -6.403 -0.947 1.00 63.42 C ATOM 1308 O PHE A 85 0.788 -5.466 -1.748 1.00 13.43 O ATOM 1309 CB PHE A 85 -1.139 -7.903 -1.354 1.00 75.22 C ATOM 1310 CG PHE A 85 -2.295 -8.701 -0.803 1.00 32.51 C ATOM 1311 CD1 PHE A 85 -2.069 -9.809 0.000 1.00 52.51 C ATOM 1312 CD2 PHE A 85 -3.608 -8.356 -1.101 1.00 52.12 C ATOM 1313 CE1 PHE A 85 -3.122 -10.553 0.498 1.00 74.10 C ATOM 1314 CE2 PHE A 85 -4.665 -9.096 -0.604 1.00 22.13 C ATOM 1315 CZ PHE A 85 -4.421 -10.196 0.195 1.00 44.02 C ATOM 0 H PHE A 85 -2.159 -5.749 -0.555 1.00 41.12 H new ATOM 0 HA PHE A 85 -0.209 -7.541 0.563 1.00 13.23 H new ATOM 0 HB2 PHE A 85 -1.494 -7.304 -2.192 1.00 75.22 H new ATOM 0 HB3 PHE A 85 -0.393 -8.593 -1.749 1.00 75.22 H new ATOM 0 HD1 PHE A 85 -1.055 -10.095 0.240 1.00 52.51 H new ATOM 0 HD2 PHE A 85 -3.805 -7.499 -1.728 1.00 52.12 H new ATOM 0 HE1 PHE A 85 -2.929 -11.412 1.123 1.00 74.10 H new ATOM 0 HE2 PHE A 85 -5.680 -8.814 -0.840 1.00 22.13 H new ATOM 0 HZ PHE A 85 -5.245 -10.776 0.582 1.00 44.02 H new ATOM 1325 N ALA A 86 1.964 -6.975 -0.576 1.00 60.51 N ATOM 1326 CA ALA A 86 3.256 -6.525 -1.094 1.00 52.51 C ATOM 1327 C ALA A 86 3.630 -7.216 -2.417 1.00 14.34 C ATOM 1328 O ALA A 86 3.609 -8.446 -2.521 1.00 35.42 O ATOM 1329 CB ALA A 86 4.340 -6.767 -0.052 1.00 65.14 C ATOM 0 H ALA A 86 2.022 -7.752 0.082 1.00 60.51 H new ATOM 0 HA ALA A 86 3.173 -5.458 -1.302 1.00 52.51 H new ATOM 0 HB1 ALA A 86 5.301 -6.431 -0.442 1.00 65.14 H new ATOM 0 HB2 ALA A 86 4.102 -6.213 0.856 1.00 65.14 H new ATOM 0 HB3 ALA A 86 4.394 -7.831 0.177 1.00 65.14 H new ATOM 1335 N LYS A 87 3.967 -6.411 -3.425 1.00 31.23 N ATOM 1336 CA LYS A 87 4.510 -6.915 -4.695 1.00 53.02 C ATOM 1337 C LYS A 87 5.807 -6.202 -5.045 1.00 10.43 C ATOM 1338 O LYS A 87 5.995 -5.031 -4.730 1.00 30.32 O ATOM 1339 CB LYS A 87 3.518 -6.726 -5.855 1.00 11.45 C ATOM 1340 CG LYS A 87 2.228 -7.519 -5.744 1.00 23.43 C ATOM 1341 CD LYS A 87 1.483 -7.510 -7.077 1.00 20.40 C ATOM 1342 CE LYS A 87 0.151 -8.232 -6.990 1.00 31.35 C ATOM 1343 NZ LYS A 87 -0.462 -8.440 -8.332 1.00 51.23 N ATOM 0 H LYS A 87 3.873 -5.396 -3.389 1.00 31.23 H new ATOM 0 HA LYS A 87 4.694 -7.980 -4.558 1.00 53.02 H new ATOM 0 HB2 LYS A 87 3.269 -5.667 -5.929 1.00 11.45 H new ATOM 0 HB3 LYS A 87 4.015 -7.002 -6.785 1.00 11.45 H new ATOM 0 HG2 LYS A 87 2.448 -8.545 -5.450 1.00 23.43 H new ATOM 0 HG3 LYS A 87 1.597 -7.092 -4.964 1.00 23.43 H new ATOM 0 HD2 LYS A 87 1.317 -6.480 -7.392 1.00 20.40 H new ATOM 0 HD3 LYS A 87 2.101 -7.981 -7.841 1.00 20.40 H new ATOM 0 HE2 LYS A 87 0.293 -9.197 -6.503 1.00 31.35 H new ATOM 0 HE3 LYS A 87 -0.532 -7.657 -6.365 1.00 31.35 H new ATOM 0 HZ1 LYS A 87 -1.370 -8.936 -8.226 1.00 51.23 H new ATOM 0 HZ2 LYS A 87 -0.622 -7.519 -8.787 1.00 51.23 H new ATOM 0 HZ3 LYS A 87 0.178 -9.010 -8.921 1.00 51.23 H new ATOM 1357 N LYS A 88 6.706 -6.924 -5.687 1.00 23.02 N ATOM 1358 CA LYS A 88 7.955 -6.349 -6.150 1.00 21.02 C ATOM 1359 C LYS A 88 7.754 -5.681 -7.519 1.00 20.34 C ATOM 1360 O LYS A 88 7.242 -6.304 -8.454 1.00 45.50 O ATOM 1361 CB LYS A 88 9.022 -7.442 -6.228 1.00 2.23 C ATOM 1362 CG LYS A 88 10.427 -6.887 -6.190 1.00 52.21 C ATOM 1363 CD LYS A 88 11.484 -7.987 -6.190 1.00 13.34 C ATOM 1364 CE LYS A 88 11.316 -8.926 -5.001 1.00 21.31 C ATOM 1365 NZ LYS A 88 12.431 -9.903 -4.894 1.00 33.45 N ATOM 0 H LYS A 88 6.594 -7.915 -5.901 1.00 23.02 H new ATOM 0 HA LYS A 88 8.287 -5.585 -5.447 1.00 21.02 H new ATOM 0 HB2 LYS A 88 8.887 -8.136 -5.398 1.00 2.23 H new ATOM 0 HB3 LYS A 88 8.886 -8.013 -7.147 1.00 2.23 H new ATOM 0 HG2 LYS A 88 10.582 -6.237 -7.051 1.00 52.21 H new ATOM 0 HG3 LYS A 88 10.548 -6.270 -5.299 1.00 52.21 H new ATOM 0 HD2 LYS A 88 11.417 -8.557 -7.117 1.00 13.34 H new ATOM 0 HD3 LYS A 88 12.477 -7.538 -6.163 1.00 13.34 H new ATOM 0 HE2 LYS A 88 11.259 -8.341 -4.083 1.00 21.31 H new ATOM 0 HE3 LYS A 88 10.372 -9.463 -5.095 1.00 21.31 H new ATOM 0 HZ1 LYS A 88 12.713 -10.000 -3.898 1.00 33.45 H new ATOM 0 HZ2 LYS A 88 12.119 -10.826 -5.257 1.00 33.45 H new ATOM 0 HZ3 LYS A 88 13.242 -9.567 -5.452 1.00 33.45 H new ATOM 1379 N GLY A 89 8.147 -4.415 -7.635 1.00 53.52 N ATOM 1380 CA GLY A 89 7.860 -3.652 -8.848 1.00 13.03 C ATOM 1381 C GLY A 89 9.095 -3.160 -9.591 1.00 33.45 C ATOM 1382 O GLY A 89 10.230 -3.459 -9.215 1.00 75.53 O ATOM 0 H GLY A 89 8.657 -3.902 -6.916 1.00 53.52 H new ATOM 0 HA2 GLY A 89 7.270 -4.273 -9.522 1.00 13.03 H new ATOM 0 HA3 GLY A 89 7.244 -2.793 -8.584 1.00 13.03 H new ATOM 1386 N ASP A 90 8.857 -2.389 -10.651 1.00 23.14 N ATOM 1387 CA ASP A 90 9.926 -1.805 -11.470 1.00 40.22 C ATOM 1388 C ASP A 90 10.278 -0.392 -10.959 1.00 62.30 C ATOM 1389 O ASP A 90 11.035 0.352 -11.586 1.00 34.24 O ATOM 1390 CB ASP A 90 9.458 -1.756 -12.934 1.00 70.45 C ATOM 1391 CG ASP A 90 10.605 -1.629 -13.920 1.00 40.22 C ATOM 1392 OD1 ASP A 90 11.330 -2.627 -14.113 1.00 21.44 O ATOM 1393 OD2 ASP A 90 10.771 -0.553 -14.531 1.00 70.23 O ATOM 0 H ASP A 90 7.918 -2.150 -10.969 1.00 23.14 H new ATOM 0 HA ASP A 90 10.824 -2.419 -11.400 1.00 40.22 H new ATOM 0 HB2 ASP A 90 8.891 -2.660 -13.159 1.00 70.45 H new ATOM 0 HB3 ASP A 90 8.779 -0.913 -13.065 1.00 70.45 H new ATOM 1398 N VAL A 91 9.722 -0.048 -9.801 1.00 62.23 N ATOM 1399 CA VAL A 91 9.889 1.275 -9.196 1.00 13.11 C ATOM 1400 C VAL A 91 11.285 1.462 -8.564 1.00 0.42 C ATOM 1401 O VAL A 91 11.919 0.493 -8.133 1.00 42.13 O ATOM 1402 CB VAL A 91 8.803 1.515 -8.113 1.00 40.14 C ATOM 1403 CG1 VAL A 91 7.404 1.497 -8.733 1.00 60.35 C ATOM 1404 CG2 VAL A 91 8.913 0.471 -7.001 1.00 41.11 C ATOM 0 H VAL A 91 9.140 -0.680 -9.251 1.00 62.23 H new ATOM 0 HA VAL A 91 9.784 2.003 -10.001 1.00 13.11 H new ATOM 0 HB VAL A 91 8.969 2.500 -7.677 1.00 40.14 H new ATOM 0 HG11 VAL A 91 6.659 1.667 -7.956 1.00 60.35 H new ATOM 0 HG12 VAL A 91 7.329 2.282 -9.485 1.00 60.35 H new ATOM 0 HG13 VAL A 91 7.226 0.529 -9.200 1.00 60.35 H new ATOM 0 HG21 VAL A 91 8.144 0.656 -6.251 1.00 41.11 H new ATOM 0 HG22 VAL A 91 8.777 -0.525 -7.422 1.00 41.11 H new ATOM 0 HG23 VAL A 91 9.896 0.537 -6.536 1.00 41.11 H new ATOM 1414 N PRO A 92 11.783 2.718 -8.513 1.00 41.15 N ATOM 1415 CA PRO A 92 13.071 3.048 -7.868 1.00 65.32 C ATOM 1416 C PRO A 92 13.030 2.901 -6.335 1.00 62.41 C ATOM 1417 O PRO A 92 11.959 2.798 -5.740 1.00 1.13 O ATOM 1418 CB PRO A 92 13.307 4.523 -8.256 1.00 24.11 C ATOM 1419 CG PRO A 92 12.329 4.810 -9.352 1.00 42.44 C ATOM 1420 CD PRO A 92 11.152 3.913 -9.096 1.00 22.53 C ATOM 0 HA PRO A 92 13.862 2.372 -8.194 1.00 65.32 H new ATOM 0 HB2 PRO A 92 13.146 5.183 -7.404 1.00 24.11 H new ATOM 0 HB3 PRO A 92 14.331 4.681 -8.593 1.00 24.11 H new ATOM 0 HG2 PRO A 92 12.030 5.858 -9.345 1.00 42.44 H new ATOM 0 HG3 PRO A 92 12.768 4.610 -10.330 1.00 42.44 H new ATOM 0 HD2 PRO A 92 10.436 4.368 -8.412 1.00 22.53 H new ATOM 0 HD3 PRO A 92 10.612 3.680 -10.014 1.00 22.53 H new ATOM 1428 N LYS A 93 14.205 2.898 -5.698 1.00 31.11 N ATOM 1429 CA LYS A 93 14.285 2.775 -4.237 1.00 61.50 C ATOM 1430 C LYS A 93 13.680 4.003 -3.540 1.00 42.15 C ATOM 1431 O LYS A 93 13.785 5.129 -4.039 1.00 34.44 O ATOM 1432 CB LYS A 93 15.738 2.579 -3.784 1.00 3.21 C ATOM 1433 CG LYS A 93 15.855 2.172 -2.318 1.00 73.45 C ATOM 1434 CD LYS A 93 17.301 2.076 -1.846 1.00 54.14 C ATOM 1435 CE LYS A 93 17.391 1.416 -0.475 1.00 55.32 C ATOM 1436 NZ LYS A 93 16.580 2.121 0.555 1.00 3.54 N ATOM 0 H LYS A 93 15.108 2.979 -6.166 1.00 31.11 H new ATOM 0 HA LYS A 93 13.706 1.897 -3.951 1.00 61.50 H new ATOM 0 HB2 LYS A 93 16.207 1.816 -4.406 1.00 3.21 H new ATOM 0 HB3 LYS A 93 16.291 3.505 -3.944 1.00 3.21 H new ATOM 0 HG2 LYS A 93 15.323 2.896 -1.701 1.00 73.45 H new ATOM 0 HG3 LYS A 93 15.365 1.209 -2.173 1.00 73.45 H new ATOM 0 HD2 LYS A 93 17.884 1.503 -2.567 1.00 54.14 H new ATOM 0 HD3 LYS A 93 17.739 3.073 -1.802 1.00 54.14 H new ATOM 0 HE2 LYS A 93 17.055 0.382 -0.551 1.00 55.32 H new ATOM 0 HE3 LYS A 93 18.433 1.390 -0.156 1.00 55.32 H new ATOM 0 HZ1 LYS A 93 17.005 1.973 1.493 1.00 3.54 H new ATOM 0 HZ2 LYS A 93 16.557 3.139 0.342 1.00 3.54 H new ATOM 0 HZ3 LYS A 93 15.611 1.744 0.551 1.00 3.54 H new ATOM 1450 N GLY A 94 13.078 3.790 -2.373 1.00 60.44 N ATOM 1451 CA GLY A 94 12.372 4.868 -1.690 1.00 61.25 C ATOM 1452 C GLY A 94 11.154 5.372 -2.465 1.00 65.24 C ATOM 1453 O GLY A 94 10.748 6.527 -2.323 1.00 13.03 O ATOM 0 H GLY A 94 13.065 2.894 -1.887 1.00 60.44 H new ATOM 0 HA2 GLY A 94 12.052 4.520 -0.708 1.00 61.25 H new ATOM 0 HA3 GLY A 94 13.059 5.698 -1.525 1.00 61.25 H new ATOM 1457 N MET A 95 10.561 4.507 -3.285 1.00 45.34 N ATOM 1458 CA MET A 95 9.395 4.874 -4.080 1.00 71.20 C ATOM 1459 C MET A 95 8.526 3.634 -4.363 1.00 3.33 C ATOM 1460 O MET A 95 9.049 2.573 -4.689 1.00 4.50 O ATOM 1461 CB MET A 95 9.881 5.514 -5.385 1.00 12.33 C ATOM 1462 CG MET A 95 8.803 6.233 -6.170 1.00 34.42 C ATOM 1463 SD MET A 95 9.487 7.157 -7.562 1.00 13.53 S ATOM 1464 CE MET A 95 8.056 8.086 -8.105 1.00 51.41 C ATOM 0 H MET A 95 10.871 3.544 -3.415 1.00 45.34 H new ATOM 0 HA MET A 95 8.778 5.587 -3.533 1.00 71.20 H new ATOM 0 HB2 MET A 95 10.678 6.221 -5.154 1.00 12.33 H new ATOM 0 HB3 MET A 95 10.316 4.739 -6.015 1.00 12.33 H new ATOM 0 HG2 MET A 95 8.077 5.508 -6.537 1.00 34.42 H new ATOM 0 HG3 MET A 95 8.267 6.915 -5.510 1.00 34.42 H new ATOM 0 HE1 MET A 95 8.354 9.107 -8.345 1.00 51.41 H new ATOM 0 HE2 MET A 95 7.631 7.615 -8.991 1.00 51.41 H new ATOM 0 HE3 MET A 95 7.310 8.103 -7.310 1.00 51.41 H new ATOM 1474 N ILE A 96 7.201 3.763 -4.232 1.00 24.42 N ATOM 1475 CA ILE A 96 6.291 2.621 -4.433 1.00 61.24 C ATOM 1476 C ILE A 96 5.053 3.010 -5.258 1.00 23.33 C ATOM 1477 O ILE A 96 4.497 4.098 -5.100 1.00 71.21 O ATOM 1478 CB ILE A 96 5.825 1.999 -3.084 1.00 0.31 C ATOM 1479 CG1 ILE A 96 5.019 3.012 -2.251 1.00 31.42 C ATOM 1480 CG2 ILE A 96 7.020 1.483 -2.288 1.00 55.24 C ATOM 1481 CD1 ILE A 96 4.464 2.441 -0.959 1.00 43.31 C ATOM 0 H ILE A 96 6.734 4.637 -3.990 1.00 24.42 H new ATOM 0 HA ILE A 96 6.867 1.878 -4.985 1.00 61.24 H new ATOM 0 HB ILE A 96 5.171 1.158 -3.314 1.00 0.31 H new ATOM 0 HG12 ILE A 96 5.657 3.864 -2.016 1.00 31.42 H new ATOM 0 HG13 ILE A 96 4.193 3.389 -2.855 1.00 31.42 H new ATOM 0 HG21 ILE A 96 6.673 1.052 -1.349 1.00 55.24 H new ATOM 0 HG22 ILE A 96 7.541 0.720 -2.867 1.00 55.24 H new ATOM 0 HG23 ILE A 96 7.701 2.308 -2.079 1.00 55.24 H new ATOM 0 HD11 ILE A 96 3.909 3.214 -0.428 1.00 43.31 H new ATOM 0 HD12 ILE A 96 3.799 1.608 -1.186 1.00 43.31 H new ATOM 0 HD13 ILE A 96 5.285 2.090 -0.334 1.00 43.31 H new ATOM 1493 N PHE A 97 4.618 2.108 -6.133 1.00 4.22 N ATOM 1494 CA PHE A 97 3.435 2.350 -6.966 1.00 53.52 C ATOM 1495 C PHE A 97 2.200 1.620 -6.417 1.00 5.14 C ATOM 1496 O PHE A 97 2.259 0.434 -6.096 1.00 55.55 O ATOM 1497 CB PHE A 97 3.692 1.898 -8.412 1.00 5.04 C ATOM 1498 CG PHE A 97 2.474 2.013 -9.304 1.00 13.01 C ATOM 1499 CD1 PHE A 97 2.117 3.234 -9.864 1.00 63.10 C ATOM 1500 CD2 PHE A 97 1.678 0.903 -9.572 1.00 73.11 C ATOM 1501 CE1 PHE A 97 1.000 3.343 -10.671 1.00 4.23 C ATOM 1502 CE2 PHE A 97 0.557 1.011 -10.377 1.00 1.20 C ATOM 1503 CZ PHE A 97 0.220 2.231 -10.927 1.00 50.12 C ATOM 0 H PHE A 97 5.063 1.203 -6.287 1.00 4.22 H new ATOM 0 HA PHE A 97 3.240 3.422 -6.948 1.00 53.52 H new ATOM 0 HB2 PHE A 97 4.500 2.496 -8.834 1.00 5.04 H new ATOM 0 HB3 PHE A 97 4.032 0.862 -8.406 1.00 5.04 H new ATOM 0 HD1 PHE A 97 2.720 4.108 -9.666 1.00 63.10 H new ATOM 0 HD2 PHE A 97 1.938 -0.055 -9.146 1.00 73.11 H new ATOM 0 HE1 PHE A 97 0.737 4.298 -11.102 1.00 4.23 H new ATOM 0 HE2 PHE A 97 -0.053 0.142 -10.574 1.00 1.20 H new ATOM 0 HZ PHE A 97 -0.653 2.317 -11.557 1.00 50.12 H new ATOM 1513 N ILE A 98 1.085 2.342 -6.317 1.00 25.44 N ATOM 1514 CA ILE A 98 -0.205 1.748 -5.951 1.00 13.23 C ATOM 1515 C ILE A 98 -1.285 2.134 -6.978 1.00 43.43 C ATOM 1516 O ILE A 98 -1.337 3.276 -7.440 1.00 4.43 O ATOM 1517 CB ILE A 98 -0.658 2.192 -4.529 1.00 54.21 C ATOM 1518 CG1 ILE A 98 0.379 1.764 -3.477 1.00 22.34 C ATOM 1519 CG2 ILE A 98 -2.038 1.625 -4.186 1.00 61.21 C ATOM 1520 CD1 ILE A 98 -0.033 2.052 -2.045 1.00 34.34 C ATOM 0 H ILE A 98 1.047 3.347 -6.485 1.00 25.44 H new ATOM 0 HA ILE A 98 -0.075 0.666 -5.947 1.00 13.23 H new ATOM 0 HB ILE A 98 -0.732 3.279 -4.523 1.00 54.21 H new ATOM 0 HG12 ILE A 98 0.566 0.695 -3.581 1.00 22.34 H new ATOM 0 HG13 ILE A 98 1.320 2.274 -3.682 1.00 22.34 H new ATOM 0 HG21 ILE A 98 -2.328 1.952 -3.187 1.00 61.21 H new ATOM 0 HG22 ILE A 98 -2.769 1.983 -4.911 1.00 61.21 H new ATOM 0 HG23 ILE A 98 -2.001 0.536 -4.215 1.00 61.21 H new ATOM 0 HD11 ILE A 98 0.753 1.720 -1.367 1.00 34.34 H new ATOM 0 HD12 ILE A 98 -0.191 3.123 -1.920 1.00 34.34 H new ATOM 0 HD13 ILE A 98 -0.957 1.520 -1.818 1.00 34.34 H new ATOM 1532 N PRO A 99 -2.132 1.178 -7.394 1.00 50.24 N ATOM 1533 CA PRO A 99 -3.291 1.479 -8.248 1.00 73.43 C ATOM 1534 C PRO A 99 -4.332 2.364 -7.530 1.00 70.02 C ATOM 1535 O PRO A 99 -4.715 2.089 -6.390 1.00 52.31 O ATOM 1536 CB PRO A 99 -3.871 0.089 -8.568 1.00 71.14 C ATOM 1537 CG PRO A 99 -3.360 -0.803 -7.486 1.00 4.42 C ATOM 1538 CD PRO A 99 -2.012 -0.263 -7.102 1.00 23.45 C ATOM 0 HA PRO A 99 -3.012 2.045 -9.137 1.00 73.43 H new ATOM 0 HB2 PRO A 99 -4.961 0.110 -8.580 1.00 71.14 H new ATOM 0 HB3 PRO A 99 -3.548 -0.257 -9.550 1.00 71.14 H new ATOM 0 HG2 PRO A 99 -4.036 -0.806 -6.631 1.00 4.42 H new ATOM 0 HG3 PRO A 99 -3.282 -1.833 -7.834 1.00 4.42 H new ATOM 0 HD2 PRO A 99 -1.790 -0.444 -6.050 1.00 23.45 H new ATOM 0 HD3 PRO A 99 -1.213 -0.726 -7.681 1.00 23.45 H new ATOM 1546 N MET A 100 -4.781 3.425 -8.205 1.00 24.33 N ATOM 1547 CA MET A 100 -5.759 4.365 -7.641 1.00 74.33 C ATOM 1548 C MET A 100 -7.021 3.625 -7.166 1.00 61.10 C ATOM 1549 O MET A 100 -7.853 3.210 -7.975 1.00 74.33 O ATOM 1550 CB MET A 100 -6.125 5.423 -8.700 1.00 4.34 C ATOM 1551 CG MET A 100 -6.733 6.717 -8.154 1.00 71.33 C ATOM 1552 SD MET A 100 -8.205 6.463 -7.136 1.00 51.24 S ATOM 1553 CE MET A 100 -7.498 6.527 -5.490 1.00 54.44 C ATOM 0 H MET A 100 -4.481 3.658 -9.152 1.00 24.33 H new ATOM 0 HA MET A 100 -5.314 4.858 -6.776 1.00 74.33 H new ATOM 0 HB2 MET A 100 -5.227 5.674 -9.264 1.00 4.34 H new ATOM 0 HB3 MET A 100 -6.829 4.979 -9.404 1.00 4.34 H new ATOM 0 HG2 MET A 100 -5.981 7.239 -7.563 1.00 71.33 H new ATOM 0 HG3 MET A 100 -6.990 7.367 -8.990 1.00 71.33 H new ATOM 0 HE1 MET A 100 -7.916 5.724 -4.883 1.00 54.44 H new ATOM 0 HE2 MET A 100 -6.416 6.409 -5.554 1.00 54.44 H new ATOM 0 HE3 MET A 100 -7.731 7.488 -5.031 1.00 54.44 H new ATOM 1563 N GLY A 101 -7.147 3.456 -5.850 1.00 43.30 N ATOM 1564 CA GLY A 101 -8.296 2.751 -5.291 1.00 54.41 C ATOM 1565 C GLY A 101 -8.570 3.121 -3.839 1.00 41.15 C ATOM 1566 O GLY A 101 -7.893 3.987 -3.284 1.00 24.21 O ATOM 0 H GLY A 101 -6.476 3.793 -5.160 1.00 43.30 H new ATOM 0 HA2 GLY A 101 -9.179 2.974 -5.890 1.00 54.41 H new ATOM 0 HA3 GLY A 101 -8.126 1.677 -5.361 1.00 54.41 H new ATOM 1570 N PRO A 102 -9.552 2.465 -3.185 1.00 1.33 N ATOM 1571 CA PRO A 102 -9.925 2.762 -1.786 1.00 53.25 C ATOM 1572 C PRO A 102 -8.735 2.623 -0.821 1.00 14.04 C ATOM 1573 O PRO A 102 -8.610 3.378 0.143 1.00 54.42 O ATOM 1574 CB PRO A 102 -11.014 1.717 -1.467 1.00 70.43 C ATOM 1575 CG PRO A 102 -10.866 0.665 -2.519 1.00 61.12 C ATOM 1576 CD PRO A 102 -10.368 1.376 -3.748 1.00 51.41 C ATOM 0 HA PRO A 102 -10.265 3.791 -1.667 1.00 53.25 H new ATOM 0 HB2 PRO A 102 -10.879 1.299 -0.470 1.00 70.43 H new ATOM 0 HB3 PRO A 102 -12.008 2.163 -1.493 1.00 70.43 H new ATOM 0 HG2 PRO A 102 -10.164 -0.107 -2.203 1.00 61.12 H new ATOM 0 HG3 PRO A 102 -11.818 0.170 -2.713 1.00 61.12 H new ATOM 0 HD2 PRO A 102 -9.779 0.717 -4.386 1.00 51.41 H new ATOM 0 HD3 PRO A 102 -11.189 1.758 -4.355 1.00 51.41 H new ATOM 1584 N TYR A 103 -7.857 1.662 -1.104 1.00 54.21 N ATOM 1585 CA TYR A 103 -6.646 1.447 -0.304 1.00 1.02 C ATOM 1586 C TYR A 103 -5.701 2.654 -0.408 1.00 62.33 C ATOM 1587 O TYR A 103 -5.299 3.230 0.603 1.00 5.21 O ATOM 1588 CB TYR A 103 -5.936 0.166 -0.764 1.00 43.11 C ATOM 1589 CG TYR A 103 -6.757 -1.090 -0.534 1.00 54.54 C ATOM 1590 CD1 TYR A 103 -7.880 -1.366 -1.311 1.00 10.13 C ATOM 1591 CD2 TYR A 103 -6.417 -1.996 0.464 1.00 64.31 C ATOM 1592 CE1 TYR A 103 -8.633 -2.503 -1.098 1.00 63.11 C ATOM 1593 CE2 TYR A 103 -7.166 -3.135 0.681 1.00 64.25 C ATOM 1594 CZ TYR A 103 -8.274 -3.383 -0.100 1.00 10.53 C ATOM 1595 OH TYR A 103 -9.022 -4.521 0.112 1.00 72.32 O ATOM 0 H TYR A 103 -7.960 1.015 -1.886 1.00 54.21 H new ATOM 0 HA TYR A 103 -6.935 1.335 0.741 1.00 1.02 H new ATOM 0 HB2 TYR A 103 -5.702 0.250 -1.825 1.00 43.11 H new ATOM 0 HB3 TYR A 103 -4.988 0.074 -0.235 1.00 43.11 H new ATOM 0 HD1 TYR A 103 -8.166 -0.679 -2.093 1.00 10.13 H new ATOM 0 HD2 TYR A 103 -5.551 -1.805 1.081 1.00 64.31 H new ATOM 0 HE1 TYR A 103 -9.500 -2.702 -1.711 1.00 63.11 H new ATOM 0 HE2 TYR A 103 -6.885 -3.829 1.459 1.00 64.25 H new ATOM 0 HH TYR A 103 -9.081 -4.699 1.074 1.00 72.32 H new ATOM 1605 N ALA A 104 -5.366 3.039 -1.637 1.00 14.12 N ATOM 1606 CA ALA A 104 -4.550 4.233 -1.877 1.00 54.33 C ATOM 1607 C ALA A 104 -5.217 5.487 -1.288 1.00 43.33 C ATOM 1608 O ALA A 104 -4.558 6.355 -0.726 1.00 31.35 O ATOM 1609 CB ALA A 104 -4.307 4.413 -3.371 1.00 43.45 C ATOM 0 H ALA A 104 -5.645 2.544 -2.484 1.00 14.12 H new ATOM 0 HA ALA A 104 -3.591 4.096 -1.377 1.00 54.33 H new ATOM 0 HB1 ALA A 104 -3.700 5.303 -3.536 1.00 43.45 H new ATOM 0 HB2 ALA A 104 -3.785 3.540 -3.763 1.00 43.45 H new ATOM 0 HB3 ALA A 104 -5.262 4.525 -3.884 1.00 43.45 H new ATOM 1615 N ASN A 105 -6.541 5.551 -1.407 1.00 60.03 N ATOM 1616 CA ASN A 105 -7.340 6.666 -0.875 1.00 3.51 C ATOM 1617 C ASN A 105 -7.099 6.896 0.633 1.00 33.31 C ATOM 1618 O ASN A 105 -7.332 7.991 1.148 1.00 45.43 O ATOM 1619 CB ASN A 105 -8.827 6.388 -1.158 1.00 42.44 C ATOM 1620 CG ASN A 105 -9.771 7.300 -0.398 1.00 1.11 C ATOM 1621 OD1 ASN A 105 -10.095 8.393 -0.843 1.00 24.24 O ATOM 1622 ND2 ASN A 105 -10.232 6.844 0.750 1.00 40.41 N ATOM 0 H ASN A 105 -7.096 4.834 -1.874 1.00 60.03 H new ATOM 0 HA ASN A 105 -7.030 7.583 -1.376 1.00 3.51 H new ATOM 0 HB2 ASN A 105 -9.011 6.497 -2.227 1.00 42.44 H new ATOM 0 HB3 ASN A 105 -9.050 5.353 -0.901 1.00 42.44 H new ATOM 0 HD21 ASN A 105 -10.881 7.408 1.299 1.00 40.41 H new ATOM 0 HD22 ASN A 105 -9.939 5.928 1.089 1.00 40.41 H new ATOM 1629 N MET A 106 -6.623 5.866 1.331 1.00 73.43 N ATOM 1630 CA MET A 106 -6.356 5.959 2.776 1.00 32.10 C ATOM 1631 C MET A 106 -5.030 6.682 3.078 1.00 10.12 C ATOM 1632 O MET A 106 -4.780 7.084 4.213 1.00 1.01 O ATOM 1633 CB MET A 106 -6.323 4.553 3.388 1.00 42.40 C ATOM 1634 CG MET A 106 -7.593 3.756 3.143 1.00 54.43 C ATOM 1635 SD MET A 106 -9.029 4.459 3.979 1.00 62.30 S ATOM 1636 CE MET A 106 -8.717 3.951 5.669 1.00 64.03 C ATOM 0 H MET A 106 -6.412 4.955 0.924 1.00 73.43 H new ATOM 0 HA MET A 106 -7.161 6.545 3.220 1.00 32.10 H new ATOM 0 HB2 MET A 106 -5.475 4.006 2.976 1.00 42.40 H new ATOM 0 HB3 MET A 106 -6.157 4.637 4.462 1.00 42.40 H new ATOM 0 HG2 MET A 106 -7.788 3.711 2.071 1.00 54.43 H new ATOM 0 HG3 MET A 106 -7.445 2.731 3.484 1.00 54.43 H new ATOM 0 HE1 MET A 106 -9.571 3.386 6.043 1.00 64.03 H new ATOM 0 HE2 MET A 106 -7.825 3.325 5.702 1.00 64.03 H new ATOM 0 HE3 MET A 106 -8.565 4.833 6.292 1.00 64.03 H new ATOM 1646 N VAL A 107 -4.181 6.834 2.059 1.00 44.55 N ATOM 1647 CA VAL A 107 -2.851 7.436 2.244 1.00 32.30 C ATOM 1648 C VAL A 107 -2.554 8.572 1.243 1.00 33.42 C ATOM 1649 O VAL A 107 -1.654 9.380 1.471 1.00 14.33 O ATOM 1650 CB VAL A 107 -1.733 6.363 2.132 1.00 4.53 C ATOM 1651 CG1 VAL A 107 -1.811 5.374 3.292 1.00 23.13 C ATOM 1652 CG2 VAL A 107 -1.810 5.632 0.792 1.00 3.42 C ATOM 0 H VAL A 107 -4.386 6.551 1.101 1.00 44.55 H new ATOM 0 HA VAL A 107 -2.861 7.866 3.246 1.00 32.30 H new ATOM 0 HB VAL A 107 -0.771 6.873 2.184 1.00 4.53 H new ATOM 0 HG11 VAL A 107 -1.018 4.632 3.192 1.00 23.13 H new ATOM 0 HG12 VAL A 107 -1.691 5.908 4.234 1.00 23.13 H new ATOM 0 HG13 VAL A 107 -2.779 4.874 3.279 1.00 23.13 H new ATOM 0 HG21 VAL A 107 -1.017 4.886 0.738 1.00 3.42 H new ATOM 0 HG22 VAL A 107 -2.778 5.139 0.701 1.00 3.42 H new ATOM 0 HG23 VAL A 107 -1.690 6.348 -0.021 1.00 3.42 H new ATOM 1662 N ILE A 108 -3.294 8.640 0.141 1.00 71.01 N ATOM 1663 CA ILE A 108 -3.027 9.655 -0.889 1.00 61.13 C ATOM 1664 C ILE A 108 -3.931 10.890 -0.742 1.00 53.45 C ATOM 1665 O ILE A 108 -4.817 10.936 0.115 1.00 62.10 O ATOM 1666 CB ILE A 108 -3.188 9.086 -2.317 1.00 54.04 C ATOM 1667 CG1 ILE A 108 -4.667 8.921 -2.684 1.00 21.22 C ATOM 1668 CG2 ILE A 108 -2.452 7.752 -2.454 1.00 60.40 C ATOM 1669 CD1 ILE A 108 -4.868 8.641 -4.147 1.00 11.43 C ATOM 0 H ILE A 108 -4.074 8.017 -0.067 1.00 71.01 H new ATOM 0 HA ILE A 108 -1.991 9.958 -0.737 1.00 61.13 H new ATOM 0 HB ILE A 108 -2.745 9.800 -3.011 1.00 54.04 H new ATOM 0 HG12 ILE A 108 -5.095 8.107 -2.099 1.00 21.22 H new ATOM 0 HG13 ILE A 108 -5.209 9.827 -2.413 1.00 21.22 H new ATOM 0 HG21 ILE A 108 -2.578 7.369 -3.467 1.00 60.40 H new ATOM 0 HG22 ILE A 108 -1.391 7.899 -2.251 1.00 60.40 H new ATOM 0 HG23 ILE A 108 -2.861 7.036 -1.742 1.00 60.40 H new ATOM 0 HD11 ILE A 108 -5.933 8.533 -4.354 1.00 11.43 H new ATOM 0 HD12 ILE A 108 -4.467 9.467 -4.734 1.00 11.43 H new ATOM 0 HD13 ILE A 108 -4.351 7.720 -4.416 1.00 11.43 H new ATOM 1681 N ASP A 109 -3.697 11.887 -1.594 1.00 35.13 N ATOM 1682 CA ASP A 109 -4.514 13.100 -1.634 1.00 34.33 C ATOM 1683 C ASP A 109 -5.501 13.055 -2.819 1.00 44.11 C ATOM 1684 O ASP A 109 -5.090 13.088 -3.979 1.00 53.14 O ATOM 1685 CB ASP A 109 -3.606 14.331 -1.738 1.00 72.51 C ATOM 1686 CG ASP A 109 -4.381 15.634 -1.826 1.00 60.33 C ATOM 1687 OD1 ASP A 109 -5.373 15.797 -1.084 1.00 44.14 O ATOM 1688 OD2 ASP A 109 -4.004 16.504 -2.638 1.00 34.34 O ATOM 0 H ASP A 109 -2.938 11.877 -2.275 1.00 35.13 H new ATOM 0 HA ASP A 109 -5.095 13.163 -0.714 1.00 34.33 H new ATOM 0 HB2 ASP A 109 -2.947 14.364 -0.870 1.00 72.51 H new ATOM 0 HB3 ASP A 109 -2.970 14.233 -2.617 1.00 72.51 H new ATOM 1862 N GLY A 122 3.681 10.413 -7.220 1.00 15.12 N ATOM 1863 CA GLY A 122 2.522 10.347 -6.336 1.00 64.41 C ATOM 1864 C GLY A 122 2.696 11.091 -5.011 1.00 10.22 C ATOM 1865 O GLY A 122 3.425 12.081 -4.925 1.00 41.22 O ATOM 0 HA2 GLY A 122 1.658 10.757 -6.858 1.00 64.41 H new ATOM 0 HA3 GLY A 122 2.300 9.301 -6.125 1.00 64.41 H new ATOM 1869 N VAL A 123 2.003 10.605 -3.980 1.00 65.21 N ATOM 1870 CA VAL A 123 2.043 11.210 -2.636 1.00 45.51 C ATOM 1871 C VAL A 123 3.119 10.553 -1.756 1.00 31.40 C ATOM 1872 O VAL A 123 3.102 9.349 -1.538 1.00 23.05 O ATOM 1873 CB VAL A 123 0.669 11.083 -1.927 1.00 45.33 C ATOM 1874 CG1 VAL A 123 0.715 11.687 -0.520 1.00 31.12 C ATOM 1875 CG2 VAL A 123 -0.427 11.736 -2.766 1.00 11.32 C ATOM 0 H VAL A 123 1.399 9.785 -4.046 1.00 65.21 H new ATOM 0 HA VAL A 123 2.287 12.264 -2.771 1.00 45.51 H new ATOM 0 HB VAL A 123 0.437 10.023 -1.824 1.00 45.33 H new ATOM 0 HG11 VAL A 123 -0.262 11.584 -0.048 1.00 31.12 H new ATOM 0 HG12 VAL A 123 1.463 11.165 0.076 1.00 31.12 H new ATOM 0 HG13 VAL A 123 0.976 12.743 -0.586 1.00 31.12 H new ATOM 0 HG21 VAL A 123 -1.384 11.638 -2.254 1.00 11.32 H new ATOM 0 HG22 VAL A 123 -0.197 12.792 -2.906 1.00 11.32 H new ATOM 0 HG23 VAL A 123 -0.483 11.245 -3.737 1.00 11.32 H new ATOM 1885 N LYS A 124 4.038 11.358 -1.236 1.00 14.42 N ATOM 1886 CA LYS A 124 5.158 10.844 -0.433 1.00 72.13 C ATOM 1887 C LYS A 124 4.706 10.375 0.963 1.00 14.53 C ATOM 1888 O LYS A 124 3.741 10.893 1.527 1.00 32.22 O ATOM 1889 CB LYS A 124 6.249 11.916 -0.313 1.00 32.13 C ATOM 1890 CG LYS A 124 6.789 12.363 -1.667 1.00 13.34 C ATOM 1891 CD LYS A 124 7.874 13.428 -1.541 1.00 22.30 C ATOM 1892 CE LYS A 124 8.384 13.866 -2.909 1.00 54.41 C ATOM 1893 NZ LYS A 124 9.415 14.928 -2.808 1.00 13.52 N ATOM 0 H LYS A 124 4.036 12.371 -1.352 1.00 14.42 H new ATOM 0 HA LYS A 124 5.561 9.972 -0.947 1.00 72.13 H new ATOM 0 HB2 LYS A 124 5.847 12.780 0.216 1.00 32.13 H new ATOM 0 HB3 LYS A 124 7.070 11.527 0.290 1.00 32.13 H new ATOM 0 HG2 LYS A 124 7.192 11.500 -2.197 1.00 13.34 H new ATOM 0 HG3 LYS A 124 5.970 12.754 -2.270 1.00 13.34 H new ATOM 0 HD2 LYS A 124 7.479 14.291 -1.005 1.00 22.30 H new ATOM 0 HD3 LYS A 124 8.702 13.038 -0.950 1.00 22.30 H new ATOM 0 HE2 LYS A 124 8.801 13.005 -3.432 1.00 54.41 H new ATOM 0 HE3 LYS A 124 7.548 14.229 -3.508 1.00 54.41 H new ATOM 0 HZ1 LYS A 124 9.733 15.195 -3.762 1.00 13.52 H new ATOM 0 HZ2 LYS A 124 9.011 15.760 -2.332 1.00 13.52 H new ATOM 0 HZ3 LYS A 124 10.225 14.575 -2.259 1.00 13.52 H new ATOM 1907 N GLY A 125 5.422 9.391 1.510 1.00 24.22 N ATOM 1908 CA GLY A 125 5.085 8.828 2.814 1.00 55.25 C ATOM 1909 C GLY A 125 6.079 7.757 3.280 1.00 63.04 C ATOM 1910 O GLY A 125 7.286 7.888 3.076 1.00 20.34 O ATOM 0 H GLY A 125 6.239 8.969 1.068 1.00 24.22 H new ATOM 0 HA2 GLY A 125 5.051 9.630 3.552 1.00 55.25 H new ATOM 0 HA3 GLY A 125 4.086 8.394 2.769 1.00 55.25 H new ATOM 1914 N THR A 126 5.572 6.693 3.905 1.00 72.31 N ATOM 1915 CA THR A 126 6.423 5.611 4.435 1.00 50.33 C ATOM 1916 C THR A 126 5.770 4.230 4.259 1.00 31.24 C ATOM 1917 O THR A 126 4.564 4.122 4.025 1.00 41.24 O ATOM 1918 CB THR A 126 6.731 5.801 5.943 1.00 14.51 C ATOM 1919 OG1 THR A 126 5.510 5.825 6.696 1.00 62.23 O ATOM 1920 CG2 THR A 126 7.515 7.085 6.201 1.00 31.11 C ATOM 0 H THR A 126 4.574 6.552 4.060 1.00 72.31 H new ATOM 0 HA THR A 126 7.348 5.659 3.861 1.00 50.33 H new ATOM 0 HB THR A 126 7.345 4.959 6.262 1.00 14.51 H new ATOM 0 HG1 THR A 126 4.781 6.148 6.126 1.00 62.23 H new ATOM 0 HG21 THR A 126 7.712 7.183 7.269 1.00 31.11 H new ATOM 0 HG22 THR A 126 8.460 7.049 5.660 1.00 31.11 H new ATOM 0 HG23 THR A 126 6.934 7.941 5.859 1.00 31.11 H new ATOM 1928 N VAL A 127 6.579 3.177 4.386 1.00 52.04 N ATOM 1929 CA VAL A 127 6.089 1.794 4.316 1.00 11.34 C ATOM 1930 C VAL A 127 6.836 0.894 5.323 1.00 63.13 C ATOM 1931 O VAL A 127 8.025 1.094 5.591 1.00 20.30 O ATOM 1932 CB VAL A 127 6.242 1.214 2.883 1.00 71.44 C ATOM 1933 CG1 VAL A 127 7.715 1.087 2.492 1.00 71.13 C ATOM 1934 CG2 VAL A 127 5.524 -0.131 2.753 1.00 1.12 C ATOM 0 H VAL A 127 7.584 3.254 4.539 1.00 52.04 H new ATOM 0 HA VAL A 127 5.030 1.811 4.573 1.00 11.34 H new ATOM 0 HB VAL A 127 5.772 1.913 2.192 1.00 71.44 H new ATOM 0 HG11 VAL A 127 7.790 0.678 1.484 1.00 71.13 H new ATOM 0 HG12 VAL A 127 8.185 2.070 2.521 1.00 71.13 H new ATOM 0 HG13 VAL A 127 8.221 0.422 3.192 1.00 71.13 H new ATOM 0 HG21 VAL A 127 5.648 -0.513 1.740 1.00 1.12 H new ATOM 0 HG22 VAL A 127 5.949 -0.840 3.463 1.00 1.12 H new ATOM 0 HG23 VAL A 127 4.463 0.001 2.964 1.00 1.12 H new ATOM 1944 N GLU A 128 6.128 -0.083 5.891 1.00 3.22 N ATOM 1945 CA GLU A 128 6.716 -1.001 6.878 1.00 23.12 C ATOM 1946 C GLU A 128 6.022 -2.378 6.882 1.00 70.53 C ATOM 1947 O GLU A 128 4.848 -2.497 6.536 1.00 2.14 O ATOM 1948 CB GLU A 128 6.630 -0.379 8.282 1.00 51.54 C ATOM 1949 CG GLU A 128 5.222 0.076 8.656 1.00 51.15 C ATOM 1950 CD GLU A 128 5.104 0.550 10.096 1.00 53.31 C ATOM 1951 OE1 GLU A 128 5.566 1.668 10.406 1.00 13.31 O ATOM 1952 OE2 GLU A 128 4.529 -0.187 10.925 1.00 72.24 O ATOM 0 H GLU A 128 5.145 -0.262 5.687 1.00 3.22 H new ATOM 0 HA GLU A 128 7.758 -1.157 6.597 1.00 23.12 H new ATOM 0 HB2 GLU A 128 6.976 -1.107 9.016 1.00 51.54 H new ATOM 0 HB3 GLU A 128 7.306 0.474 8.336 1.00 51.54 H new ATOM 0 HG2 GLU A 128 4.920 0.884 7.989 1.00 51.15 H new ATOM 0 HG3 GLU A 128 4.527 -0.748 8.494 1.00 51.15 H new ATOM 1959 N LYS A 129 6.766 -3.417 7.267 1.00 53.12 N ATOM 1960 CA LYS A 129 6.199 -4.759 7.483 1.00 12.51 C ATOM 1961 C LYS A 129 5.163 -4.742 8.625 1.00 42.03 C ATOM 1962 O LYS A 129 5.387 -4.118 9.664 1.00 50.33 O ATOM 1963 CB LYS A 129 7.330 -5.755 7.820 1.00 35.23 C ATOM 1964 CG LYS A 129 6.856 -7.093 8.411 1.00 51.34 C ATOM 1965 CD LYS A 129 6.490 -8.123 7.342 1.00 2.02 C ATOM 1966 CE LYS A 129 7.730 -8.700 6.665 1.00 35.03 C ATOM 1967 NZ LYS A 129 7.405 -9.860 5.796 1.00 10.25 N ATOM 0 H LYS A 129 7.770 -3.358 7.438 1.00 53.12 H new ATOM 0 HA LYS A 129 5.697 -5.072 6.567 1.00 12.51 H new ATOM 0 HB2 LYS A 129 7.900 -5.956 6.913 1.00 35.23 H new ATOM 0 HB3 LYS A 129 8.012 -5.283 8.527 1.00 35.23 H new ATOM 0 HG2 LYS A 129 7.641 -7.501 9.047 1.00 51.34 H new ATOM 0 HG3 LYS A 129 5.990 -6.916 9.048 1.00 51.34 H new ATOM 0 HD2 LYS A 129 5.915 -8.930 7.796 1.00 2.02 H new ATOM 0 HD3 LYS A 129 5.850 -7.658 6.593 1.00 2.02 H new ATOM 0 HE2 LYS A 129 8.211 -7.924 6.069 1.00 35.03 H new ATOM 0 HE3 LYS A 129 8.448 -9.008 7.426 1.00 35.03 H new ATOM 0 HZ1 LYS A 129 8.257 -10.156 5.279 1.00 10.25 H new ATOM 0 HZ2 LYS A 129 7.065 -10.649 6.382 1.00 10.25 H new ATOM 0 HZ3 LYS A 129 6.665 -9.589 5.117 1.00 10.25 H new ATOM 1981 N THR A 130 4.035 -5.428 8.438 1.00 14.35 N ATOM 1982 CA THR A 130 3.005 -5.510 9.488 1.00 72.22 C ATOM 1983 C THR A 130 2.483 -6.939 9.668 1.00 1.11 C ATOM 1984 O THR A 130 2.507 -7.745 8.739 1.00 32.43 O ATOM 1985 CB THR A 130 1.804 -4.574 9.207 1.00 64.43 C ATOM 1986 OG1 THR A 130 0.843 -4.673 10.271 1.00 4.15 O ATOM 1987 CG2 THR A 130 1.126 -4.914 7.884 1.00 23.34 C ATOM 0 H THR A 130 3.807 -5.932 7.581 1.00 14.35 H new ATOM 0 HA THR A 130 3.498 -5.188 10.405 1.00 72.22 H new ATOM 0 HB THR A 130 2.188 -3.556 9.145 1.00 64.43 H new ATOM 0 HG1 THR A 130 0.088 -4.077 10.086 1.00 4.15 H new ATOM 0 HG21 THR A 130 0.288 -4.237 7.720 1.00 23.34 H new ATOM 0 HG22 THR A 130 1.843 -4.808 7.070 1.00 23.34 H new ATOM 0 HG23 THR A 130 0.762 -5.941 7.915 1.00 23.34 H new ATOM 1995 N ASP A 131 2.007 -7.240 10.874 1.00 1.40 N ATOM 1996 CA ASP A 131 1.462 -8.564 11.197 1.00 42.12 C ATOM 1997 C ASP A 131 -0.079 -8.548 11.131 1.00 42.22 C ATOM 1998 O ASP A 131 -0.749 -9.525 11.474 1.00 64.31 O ATOM 1999 CB ASP A 131 1.961 -8.987 12.588 1.00 4.55 C ATOM 2000 CG ASP A 131 1.570 -10.408 12.965 1.00 21.24 C ATOM 2001 OD1 ASP A 131 1.745 -11.325 12.132 1.00 65.41 O ATOM 2002 OD2 ASP A 131 1.118 -10.622 14.108 1.00 52.33 O ATOM 0 H ASP A 131 1.986 -6.581 11.652 1.00 1.40 H new ATOM 0 HA ASP A 131 1.808 -9.292 10.463 1.00 42.12 H new ATOM 0 HB2 ASP A 131 3.047 -8.897 12.619 1.00 4.55 H new ATOM 0 HB3 ASP A 131 1.562 -8.299 13.333 1.00 4.55 H new ATOM 2007 N GLU A 132 -0.632 -7.426 10.673 1.00 63.13 N ATOM 2008 CA GLU A 132 -2.083 -7.277 10.511 1.00 61.12 C ATOM 2009 C GLU A 132 -2.588 -7.924 9.212 1.00 64.23 C ATOM 2010 O GLU A 132 -1.831 -8.558 8.472 1.00 65.52 O ATOM 2011 CB GLU A 132 -2.467 -5.788 10.530 1.00 20.25 C ATOM 2012 CG GLU A 132 -2.518 -5.178 11.924 1.00 52.13 C ATOM 2013 CD GLU A 132 -3.633 -5.767 12.780 1.00 31.32 C ATOM 2014 OE1 GLU A 132 -4.812 -5.680 12.375 1.00 1.54 O ATOM 2015 OE2 GLU A 132 -3.340 -6.307 13.868 1.00 23.12 O ATOM 0 H GLU A 132 -0.096 -6.601 10.405 1.00 63.13 H new ATOM 0 HA GLU A 132 -2.557 -7.792 11.346 1.00 61.12 H new ATOM 0 HB2 GLU A 132 -1.750 -5.231 9.927 1.00 20.25 H new ATOM 0 HB3 GLU A 132 -3.442 -5.669 10.057 1.00 20.25 H new ATOM 0 HG2 GLU A 132 -1.561 -5.336 12.421 1.00 52.13 H new ATOM 0 HG3 GLU A 132 -2.660 -4.100 11.840 1.00 52.13 H new ATOM 2022 N LYS A 133 -3.883 -7.758 8.952 1.00 52.23 N ATOM 2023 CA LYS A 133 -4.509 -8.273 7.732 1.00 32.12 C ATOM 2024 C LYS A 133 -4.710 -7.155 6.704 1.00 64.43 C ATOM 2025 O LYS A 133 -4.826 -5.982 7.063 1.00 24.23 O ATOM 2026 CB LYS A 133 -5.872 -8.902 8.059 1.00 43.43 C ATOM 2027 CG LYS A 133 -6.892 -7.901 8.604 1.00 54.33 C ATOM 2028 CD LYS A 133 -8.281 -8.517 8.764 1.00 34.45 C ATOM 2029 CE LYS A 133 -9.304 -7.492 9.248 1.00 34.31 C ATOM 2030 NZ LYS A 133 -8.986 -6.973 10.606 1.00 32.22 N ATOM 0 H LYS A 133 -4.525 -7.267 9.574 1.00 52.23 H new ATOM 0 HA LYS A 133 -3.845 -9.028 7.311 1.00 32.12 H new ATOM 0 HB2 LYS A 133 -6.275 -9.365 7.158 1.00 43.43 H new ATOM 0 HB3 LYS A 133 -5.730 -9.698 8.790 1.00 43.43 H new ATOM 0 HG2 LYS A 133 -6.550 -7.526 9.569 1.00 54.33 H new ATOM 0 HG3 LYS A 133 -6.952 -7.045 7.932 1.00 54.33 H new ATOM 0 HD2 LYS A 133 -8.606 -8.933 7.810 1.00 34.45 H new ATOM 0 HD3 LYS A 133 -8.232 -9.344 9.472 1.00 34.45 H new ATOM 0 HE2 LYS A 133 -9.343 -6.661 8.544 1.00 34.31 H new ATOM 0 HE3 LYS A 133 -10.294 -7.948 9.258 1.00 34.31 H new ATOM 0 HZ1 LYS A 133 -9.774 -6.387 10.947 1.00 32.22 H new ATOM 0 HZ2 LYS A 133 -8.841 -7.771 11.257 1.00 32.22 H new ATOM 0 HZ3 LYS A 133 -8.120 -6.398 10.564 1.00 32.22 H new ATOM 2044 N VAL A 134 -4.753 -7.517 5.426 1.00 1.11 N ATOM 2045 CA VAL A 134 -5.083 -6.558 4.369 1.00 34.33 C ATOM 2046 C VAL A 134 -6.522 -6.055 4.536 1.00 41.13 C ATOM 2047 O VAL A 134 -7.466 -6.852 4.554 1.00 61.52 O ATOM 2048 CB VAL A 134 -4.909 -7.191 2.966 1.00 51.01 C ATOM 2049 CG1 VAL A 134 -5.354 -6.232 1.862 1.00 65.05 C ATOM 2050 CG2 VAL A 134 -3.460 -7.630 2.759 1.00 42.14 C ATOM 0 H VAL A 134 -4.565 -8.463 5.094 1.00 1.11 H new ATOM 0 HA VAL A 134 -4.396 -5.717 4.455 1.00 34.33 H new ATOM 0 HB VAL A 134 -5.549 -8.071 2.910 1.00 51.01 H new ATOM 0 HG11 VAL A 134 -5.219 -6.708 0.891 1.00 65.05 H new ATOM 0 HG12 VAL A 134 -6.406 -5.981 2.000 1.00 65.05 H new ATOM 0 HG13 VAL A 134 -4.755 -5.322 1.907 1.00 65.05 H new ATOM 0 HG21 VAL A 134 -3.352 -8.073 1.769 1.00 42.14 H new ATOM 0 HG22 VAL A 134 -2.802 -6.765 2.843 1.00 42.14 H new ATOM 0 HG23 VAL A 134 -3.191 -8.366 3.517 1.00 42.14 H new ATOM 2060 N LEU A 135 -6.689 -4.740 4.667 1.00 61.32 N ATOM 2061 CA LEU A 135 -8.014 -4.154 4.898 1.00 14.54 C ATOM 2062 C LEU A 135 -8.966 -4.428 3.726 1.00 74.03 C ATOM 2063 O LEU A 135 -9.026 -3.652 2.781 1.00 13.45 O ATOM 2064 CB LEU A 135 -7.917 -2.638 5.156 1.00 42.33 C ATOM 2065 CG LEU A 135 -8.194 -2.198 6.602 1.00 33.22 C ATOM 2066 CD1 LEU A 135 -8.258 -0.680 6.700 1.00 4.02 C ATOM 2067 CD2 LEU A 135 -9.491 -2.817 7.112 1.00 13.00 C ATOM 0 H LEU A 135 -5.930 -4.061 4.618 1.00 61.32 H new ATOM 0 HA LEU A 135 -8.422 -4.633 5.788 1.00 14.54 H new ATOM 0 HB2 LEU A 135 -6.918 -2.302 4.877 1.00 42.33 H new ATOM 0 HB3 LEU A 135 -8.621 -2.129 4.498 1.00 42.33 H new ATOM 0 HG LEU A 135 -7.373 -2.549 7.227 1.00 33.22 H new ATOM 0 HD11 LEU A 135 -8.455 -0.390 7.732 1.00 4.02 H new ATOM 0 HD12 LEU A 135 -7.307 -0.254 6.379 1.00 4.02 H new ATOM 0 HD13 LEU A 135 -9.057 -0.307 6.060 1.00 4.02 H new ATOM 0 HD21 LEU A 135 -9.670 -2.494 8.137 1.00 13.00 H new ATOM 0 HD22 LEU A 135 -10.320 -2.497 6.481 1.00 13.00 H new ATOM 0 HD23 LEU A 135 -9.412 -3.904 7.083 1.00 13.00 H new ATOM 2079 N SER A 136 -9.702 -5.537 3.813 1.00 34.43 N ATOM 2080 CA SER A 136 -10.631 -5.959 2.749 1.00 3.51 C ATOM 2081 C SER A 136 -11.492 -4.791 2.253 1.00 32.33 C ATOM 2082 O SER A 136 -11.856 -3.913 3.030 1.00 15.45 O ATOM 2083 CB SER A 136 -11.542 -7.084 3.258 1.00 13.03 C ATOM 2084 OG SER A 136 -10.791 -8.147 3.829 1.00 61.35 O ATOM 0 H SER A 136 -9.676 -6.168 4.614 1.00 34.43 H new ATOM 0 HA SER A 136 -10.030 -6.319 1.914 1.00 3.51 H new ATOM 0 HB2 SER A 136 -12.233 -6.686 4.001 1.00 13.03 H new ATOM 0 HB3 SER A 136 -12.145 -7.465 2.434 1.00 13.03 H new ATOM 0 HG SER A 136 -11.401 -8.846 4.145 1.00 61.35 H new ATOM 2090 N VAL A 137 -11.844 -4.814 0.968 1.00 22.34 N ATOM 2091 CA VAL A 137 -12.540 -3.693 0.319 1.00 23.14 C ATOM 2092 C VAL A 137 -13.709 -3.140 1.157 1.00 60.41 C ATOM 2093 O VAL A 137 -13.765 -1.942 1.437 1.00 3.44 O ATOM 2094 CB VAL A 137 -13.052 -4.106 -1.085 1.00 61.02 C ATOM 2095 CG1 VAL A 137 -13.827 -2.966 -1.742 1.00 61.35 C ATOM 2096 CG2 VAL A 137 -11.885 -4.546 -1.967 1.00 34.24 C ATOM 0 H VAL A 137 -11.658 -5.602 0.348 1.00 22.34 H new ATOM 0 HA VAL A 137 -11.805 -2.893 0.224 1.00 23.14 H new ATOM 0 HB VAL A 137 -13.734 -4.948 -0.966 1.00 61.02 H new ATOM 0 HG11 VAL A 137 -14.175 -3.282 -2.725 1.00 61.35 H new ATOM 0 HG12 VAL A 137 -14.684 -2.703 -1.121 1.00 61.35 H new ATOM 0 HG13 VAL A 137 -13.176 -2.098 -1.849 1.00 61.35 H new ATOM 0 HG21 VAL A 137 -12.260 -4.833 -2.950 1.00 34.24 H new ATOM 0 HG22 VAL A 137 -11.179 -3.722 -2.074 1.00 34.24 H new ATOM 0 HG23 VAL A 137 -11.382 -5.397 -1.507 1.00 34.24 H new ATOM 2106 N LYS A 138 -14.632 -4.005 1.567 1.00 61.40 N ATOM 2107 CA LYS A 138 -15.773 -3.569 2.384 1.00 41.54 C ATOM 2108 C LYS A 138 -15.343 -3.230 3.823 1.00 71.24 C ATOM 2109 O LYS A 138 -15.829 -2.263 4.405 1.00 23.44 O ATOM 2110 CB LYS A 138 -16.877 -4.633 2.395 1.00 53.35 C ATOM 2111 CG LYS A 138 -18.061 -4.297 3.304 1.00 14.54 C ATOM 2112 CD LYS A 138 -18.972 -3.209 2.741 1.00 32.12 C ATOM 2113 CE LYS A 138 -19.676 -3.653 1.464 1.00 22.51 C ATOM 2114 NZ LYS A 138 -20.718 -2.679 1.039 1.00 55.04 N ATOM 0 H LYS A 138 -14.619 -5.002 1.353 1.00 61.40 H new ATOM 0 HA LYS A 138 -16.169 -2.661 1.929 1.00 41.54 H new ATOM 0 HB2 LYS A 138 -17.242 -4.772 1.378 1.00 53.35 H new ATOM 0 HB3 LYS A 138 -16.448 -5.583 2.712 1.00 53.35 H new ATOM 0 HG2 LYS A 138 -18.648 -5.200 3.472 1.00 14.54 H new ATOM 0 HG3 LYS A 138 -17.684 -3.977 4.275 1.00 14.54 H new ATOM 0 HD2 LYS A 138 -19.717 -2.938 3.489 1.00 32.12 H new ATOM 0 HD3 LYS A 138 -18.384 -2.314 2.538 1.00 32.12 H new ATOM 0 HE2 LYS A 138 -18.942 -3.771 0.667 1.00 22.51 H new ATOM 0 HE3 LYS A 138 -20.134 -4.629 1.622 1.00 22.51 H new ATOM 0 HZ1 LYS A 138 -21.174 -3.017 0.167 1.00 55.04 H new ATOM 0 HZ2 LYS A 138 -21.432 -2.585 1.789 1.00 55.04 H new ATOM 0 HZ3 LYS A 138 -20.277 -1.754 0.863 1.00 55.04 H new ATOM 2128 N GLU A 139 -14.426 -4.020 4.384 1.00 41.23 N ATOM 2129 CA GLU A 139 -13.885 -3.759 5.731 1.00 15.41 C ATOM 2130 C GLU A 139 -13.295 -2.339 5.801 1.00 50.42 C ATOM 2131 O GLU A 139 -13.430 -1.630 6.802 1.00 45.34 O ATOM 2132 CB GLU A 139 -12.804 -4.802 6.059 1.00 64.31 C ATOM 2133 CG GLU A 139 -12.219 -4.698 7.466 1.00 75.40 C ATOM 2134 CD GLU A 139 -13.212 -5.074 8.557 1.00 45.24 C ATOM 2135 OE1 GLU A 139 -13.812 -6.167 8.467 1.00 13.13 O ATOM 2136 OE2 GLU A 139 -13.396 -4.289 9.507 1.00 21.03 O ATOM 0 H GLU A 139 -14.038 -4.848 3.931 1.00 41.23 H new ATOM 0 HA GLU A 139 -14.689 -3.834 6.463 1.00 15.41 H new ATOM 0 HB2 GLU A 139 -13.229 -5.798 5.930 1.00 64.31 H new ATOM 0 HB3 GLU A 139 -11.994 -4.705 5.336 1.00 64.31 H new ATOM 0 HG2 GLU A 139 -11.346 -5.347 7.539 1.00 75.40 H new ATOM 0 HG3 GLU A 139 -11.873 -3.678 7.634 1.00 75.40 H new ATOM 2143 N LEU A 140 -12.655 -1.941 4.709 1.00 34.21 N ATOM 2144 CA LEU A 140 -12.121 -0.597 4.534 1.00 32.23 C ATOM 2145 C LEU A 140 -13.260 0.441 4.528 1.00 70.14 C ATOM 2146 O LEU A 140 -13.142 1.520 5.112 1.00 43.12 O ATOM 2147 CB LEU A 140 -11.333 -0.564 3.216 1.00 30.21 C ATOM 2148 CG LEU A 140 -10.164 0.421 3.167 1.00 72.24 C ATOM 2149 CD1 LEU A 140 -9.186 0.020 2.075 1.00 75.42 C ATOM 2150 CD2 LEU A 140 -10.654 1.845 2.946 1.00 60.33 C ATOM 0 H LEU A 140 -12.490 -2.552 3.909 1.00 34.21 H new ATOM 0 HA LEU A 140 -11.459 -0.343 5.362 1.00 32.23 H new ATOM 0 HB2 LEU A 140 -10.949 -1.565 3.018 1.00 30.21 H new ATOM 0 HB3 LEU A 140 -12.023 -0.321 2.408 1.00 30.21 H new ATOM 0 HG LEU A 140 -9.652 0.389 4.129 1.00 72.24 H new ATOM 0 HD11 LEU A 140 -8.358 0.729 2.050 1.00 75.42 H new ATOM 0 HD12 LEU A 140 -8.802 -0.979 2.280 1.00 75.42 H new ATOM 0 HD13 LEU A 140 -9.695 0.023 1.111 1.00 75.42 H new ATOM 0 HD21 LEU A 140 -9.801 2.523 2.916 1.00 60.33 H new ATOM 0 HD22 LEU A 140 -11.196 1.901 2.002 1.00 60.33 H new ATOM 0 HD23 LEU A 140 -11.317 2.132 3.762 1.00 60.33 H new ATOM 2162 N LEU A 141 -14.373 0.091 3.874 1.00 75.00 N ATOM 2163 CA LEU A 141 -15.572 0.942 3.861 1.00 74.33 C ATOM 2164 C LEU A 141 -16.109 1.126 5.286 1.00 43.53 C ATOM 2165 O LEU A 141 -16.512 2.221 5.682 1.00 41.13 O ATOM 2166 CB LEU A 141 -16.668 0.316 2.985 1.00 51.12 C ATOM 2167 CG LEU A 141 -16.238 -0.085 1.565 1.00 71.32 C ATOM 2168 CD1 LEU A 141 -17.367 -0.827 0.855 1.00 53.24 C ATOM 2169 CD2 LEU A 141 -15.789 1.130 0.758 1.00 75.45 C ATOM 0 H LEU A 141 -14.470 -0.776 3.346 1.00 75.00 H new ATOM 0 HA LEU A 141 -15.294 1.912 3.449 1.00 74.33 H new ATOM 0 HB2 LEU A 141 -17.051 -0.569 3.492 1.00 51.12 H new ATOM 0 HB3 LEU A 141 -17.494 1.023 2.909 1.00 51.12 H new ATOM 0 HG LEU A 141 -15.384 -0.757 1.648 1.00 71.32 H new ATOM 0 HD11 LEU A 141 -17.046 -1.104 -0.149 1.00 53.24 H new ATOM 0 HD12 LEU A 141 -17.620 -1.727 1.416 1.00 53.24 H new ATOM 0 HD13 LEU A 141 -18.243 -0.181 0.791 1.00 53.24 H new ATOM 0 HD21 LEU A 141 -15.491 0.813 -0.242 1.00 75.45 H new ATOM 0 HD22 LEU A 141 -16.612 1.841 0.683 1.00 75.45 H new ATOM 0 HD23 LEU A 141 -14.943 1.605 1.255 1.00 75.45 H new