USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 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= -2.86 F(o=-3.9!,f=-2.2) USER MOD Set 1.2: A 103 TYR OH : rot -175:sc= 0.678 USER MOD Set 2.1: A 30 SER OG : rot 107:sc= -1.18 USER MOD Set 2.2: A 100 MET CE :methyl -139:sc= -0.956 (180deg=-2.12) USER MOD Set 3.1: A 23 MET CE :methyl 171:sc= -0.143 (180deg=-0.481) USER MOD Set 3.2: A 126 THR OG1 : rot -29:sc= 0.268 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.62) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.68 K(o=1.7,f=-3.4!) USER MOD Single : A 63 ASN : amide:sc= -0.0336 X(o=-0.034,f=-0.45) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 2.27 (180deg=2.19) USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= 1.2 (180deg=0.0511) USER MOD Single : A 77 THR OG1 : rot -179:sc= 1.35 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.812) USER MOD Single : A 95 MET CE :methyl -108:sc= -0.84 (180deg=-5.65!) USER MOD Single : A 105 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 106 MET CE :methyl -170:sc= 0 (180deg=-0.0937) USER MOD Single : A 124 LYS NZ :NH3+ -139:sc= 1.08 (180deg=0.525) USER MOD Single : A 129 LYS NZ :NH3+ 136:sc= 2.13 (180deg=-0.642!) USER MOD Single : A 130 THR OG1 : rot 160:sc= -0.326 USER MOD Single : A 133 LYS NZ :NH3+ 157:sc= 0.907 (180deg=0.677) 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 10.493 0.693 9.072 1.00 20.11 N ATOM 342 CA MET A 23 9.881 1.448 7.968 1.00 73.23 C ATOM 343 C MET A 23 10.911 2.186 7.105 1.00 42.21 C ATOM 344 O MET A 23 11.988 2.564 7.570 1.00 63.14 O ATOM 345 CB MET A 23 8.846 2.459 8.489 1.00 34.41 C ATOM 346 CG MET A 23 9.401 3.475 9.484 1.00 35.21 C ATOM 347 SD MET A 23 8.304 4.889 9.719 1.00 64.44 S ATOM 348 CE MET A 23 6.732 4.065 9.972 1.00 3.12 C ATOM 0 HA MET A 23 9.388 0.704 7.342 1.00 73.23 H new ATOM 0 HB2 MET A 23 8.421 2.995 7.640 1.00 34.41 H new ATOM 0 HB3 MET A 23 8.030 1.913 8.963 1.00 34.41 H new ATOM 0 HG2 MET A 23 9.566 2.985 10.444 1.00 35.21 H new ATOM 0 HG3 MET A 23 10.372 3.827 9.134 1.00 35.21 H new ATOM 0 HE1 MET A 23 5.986 4.794 10.288 1.00 3.12 H new ATOM 0 HE2 MET A 23 6.412 3.599 9.040 1.00 3.12 H new ATOM 0 HE3 MET A 23 6.841 3.301 10.741 1.00 3.12 H new ATOM 358 N LEU A 24 10.549 2.388 5.846 1.00 32.23 N ATOM 359 CA LEU A 24 11.355 3.161 4.896 1.00 61.53 C ATOM 360 C LEU A 24 10.597 4.400 4.420 1.00 31.34 C ATOM 361 O LEU A 24 9.387 4.347 4.183 1.00 45.13 O ATOM 362 CB LEU A 24 11.726 2.287 3.691 1.00 54.01 C ATOM 363 CG LEU A 24 12.906 1.331 3.918 1.00 51.12 C ATOM 364 CD1 LEU A 24 12.828 0.139 2.969 1.00 21.32 C ATOM 365 CD2 LEU A 24 14.230 2.069 3.731 1.00 25.20 C ATOM 0 H LEU A 24 9.685 2.021 5.447 1.00 32.23 H new ATOM 0 HA LEU A 24 12.264 3.485 5.404 1.00 61.53 H new ATOM 0 HB2 LEU A 24 10.853 1.700 3.405 1.00 54.01 H new ATOM 0 HB3 LEU A 24 11.962 2.938 2.849 1.00 54.01 H new ATOM 0 HG LEU A 24 12.852 0.959 4.941 1.00 51.12 H new ATOM 0 HD11 LEU A 24 13.674 -0.525 3.148 1.00 21.32 H new ATOM 0 HD12 LEU A 24 11.898 -0.403 3.142 1.00 21.32 H new ATOM 0 HD13 LEU A 24 12.856 0.492 1.938 1.00 21.32 H new ATOM 0 HD21 LEU A 24 15.058 1.379 3.895 1.00 25.20 H new ATOM 0 HD22 LEU A 24 14.285 2.467 2.718 1.00 25.20 H new ATOM 0 HD23 LEU A 24 14.294 2.889 4.447 1.00 25.20 H new ATOM 377 N GLU A 25 11.310 5.514 4.284 1.00 0.41 N ATOM 378 CA GLU A 25 10.716 6.741 3.747 1.00 53.13 C ATOM 379 C GLU A 25 10.625 6.683 2.224 1.00 23.55 C ATOM 380 O GLU A 25 11.633 6.741 1.511 1.00 64.21 O ATOM 381 CB GLU A 25 11.490 7.978 4.213 1.00 24.23 C ATOM 382 CG GLU A 25 11.005 8.489 5.562 1.00 45.42 C ATOM 383 CD GLU A 25 11.904 9.557 6.166 1.00 34.54 C ATOM 384 OE1 GLU A 25 12.937 9.199 6.774 1.00 42.34 O ATOM 385 OE2 GLU A 25 11.580 10.759 6.040 1.00 3.34 O ATOM 0 H GLU A 25 12.295 5.596 4.536 1.00 0.41 H new ATOM 0 HA GLU A 25 9.701 6.822 4.137 1.00 53.13 H new ATOM 0 HB2 GLU A 25 12.551 7.737 4.279 1.00 24.23 H new ATOM 0 HB3 GLU A 25 11.388 8.769 3.470 1.00 24.23 H new ATOM 0 HG2 GLU A 25 9.999 8.894 5.448 1.00 45.42 H new ATOM 0 HG3 GLU A 25 10.934 7.651 6.255 1.00 45.42 H new ATOM 392 N VAL A 26 9.398 6.581 1.744 1.00 62.53 N ATOM 393 CA VAL A 26 9.119 6.339 0.324 1.00 33.31 C ATOM 394 C VAL A 26 8.029 7.278 -0.213 1.00 64.15 C ATOM 395 O VAL A 26 7.284 7.890 0.553 1.00 35.21 O ATOM 396 CB VAL A 26 8.669 4.871 0.082 1.00 64.53 C ATOM 397 CG1 VAL A 26 9.766 3.882 0.479 1.00 53.00 C ATOM 398 CG2 VAL A 26 7.373 4.578 0.838 1.00 33.40 C ATOM 0 H VAL A 26 8.561 6.662 2.321 1.00 62.53 H new ATOM 0 HA VAL A 26 10.050 6.532 -0.208 1.00 33.31 H new ATOM 0 HB VAL A 26 8.483 4.747 -0.985 1.00 64.53 H new ATOM 0 HG11 VAL A 26 9.421 2.864 0.298 1.00 53.00 H new ATOM 0 HG12 VAL A 26 10.660 4.073 -0.114 1.00 53.00 H new ATOM 0 HG13 VAL A 26 10.000 4.003 1.537 1.00 53.00 H new ATOM 0 HG21 VAL A 26 7.072 3.546 0.658 1.00 33.40 H new ATOM 0 HG22 VAL A 26 7.533 4.728 1.906 1.00 33.40 H new ATOM 0 HG23 VAL A 26 6.589 5.251 0.490 1.00 33.40 H new ATOM 408 N GLU A 27 7.951 7.403 -1.534 1.00 55.24 N ATOM 409 CA GLU A 27 6.855 8.145 -2.165 1.00 4.10 C ATOM 410 C GLU A 27 5.781 7.177 -2.692 1.00 10.50 C ATOM 411 O GLU A 27 6.046 6.346 -3.561 1.00 41.34 O ATOM 412 CB GLU A 27 7.381 9.051 -3.291 1.00 23.24 C ATOM 413 CG GLU A 27 6.317 9.991 -3.859 1.00 1.51 C ATOM 414 CD GLU A 27 6.891 11.082 -4.753 1.00 24.04 C ATOM 415 OE1 GLU A 27 7.543 12.007 -4.222 1.00 43.53 O ATOM 416 OE2 GLU A 27 6.675 11.036 -5.984 1.00 53.12 O ATOM 0 H GLU A 27 8.626 7.005 -2.187 1.00 55.24 H new ATOM 0 HA GLU A 27 6.396 8.784 -1.411 1.00 4.10 H new ATOM 0 HB2 GLU A 27 8.214 9.643 -2.912 1.00 23.24 H new ATOM 0 HB3 GLU A 27 7.773 8.429 -4.096 1.00 23.24 H new ATOM 0 HG2 GLU A 27 5.594 9.408 -4.429 1.00 1.51 H new ATOM 0 HG3 GLU A 27 5.775 10.454 -3.035 1.00 1.51 H new ATOM 423 N VAL A 28 4.575 7.294 -2.144 1.00 34.01 N ATOM 424 CA VAL A 28 3.458 6.394 -2.454 1.00 15.10 C ATOM 425 C VAL A 28 2.620 6.922 -3.630 1.00 3.31 C ATOM 426 O VAL A 28 1.909 7.920 -3.512 1.00 11.13 O ATOM 427 CB VAL A 28 2.534 6.221 -1.218 1.00 4.23 C ATOM 428 CG1 VAL A 28 1.433 5.198 -1.494 1.00 4.24 C ATOM 429 CG2 VAL A 28 3.349 5.840 0.019 1.00 72.41 C ATOM 0 H VAL A 28 4.339 8.020 -1.467 1.00 34.01 H new ATOM 0 HA VAL A 28 3.889 5.432 -2.730 1.00 15.10 H new ATOM 0 HB VAL A 28 2.051 7.178 -1.019 1.00 4.23 H new ATOM 0 HG11 VAL A 28 0.801 5.097 -0.612 1.00 4.24 H new ATOM 0 HG12 VAL A 28 0.828 5.533 -2.337 1.00 4.24 H new ATOM 0 HG13 VAL A 28 1.883 4.234 -1.730 1.00 4.24 H new ATOM 0 HG21 VAL A 28 2.682 5.724 0.873 1.00 72.41 H new ATOM 0 HG22 VAL A 28 3.871 4.901 -0.164 1.00 72.41 H new ATOM 0 HG23 VAL A 28 4.076 6.624 0.231 1.00 72.41 H new ATOM 439 N ILE A 29 2.700 6.245 -4.762 1.00 53.14 N ATOM 440 CA ILE A 29 2.007 6.690 -5.972 1.00 54.42 C ATOM 441 C ILE A 29 0.613 6.063 -6.092 1.00 10.02 C ATOM 442 O ILE A 29 0.371 4.966 -5.597 1.00 22.11 O ATOM 443 CB ILE A 29 2.814 6.326 -7.238 1.00 21.32 C ATOM 444 CG1 ILE A 29 4.312 6.564 -7.006 1.00 24.04 C ATOM 445 CG2 ILE A 29 2.320 7.147 -8.431 1.00 12.11 C ATOM 446 CD1 ILE A 29 5.186 6.013 -8.106 1.00 55.12 C ATOM 0 H ILE A 29 3.236 5.385 -4.875 1.00 53.14 H new ATOM 0 HA ILE A 29 1.908 7.772 -5.891 1.00 54.42 H new ATOM 0 HB ILE A 29 2.665 5.268 -7.456 1.00 21.32 H new ATOM 0 HG12 ILE A 29 4.491 7.635 -6.912 1.00 24.04 H new ATOM 0 HG13 ILE A 29 4.602 6.108 -6.059 1.00 24.04 H new ATOM 0 HG21 ILE A 29 2.896 6.883 -9.318 1.00 12.11 H new ATOM 0 HG22 ILE A 29 1.265 6.935 -8.606 1.00 12.11 H new ATOM 0 HG23 ILE A 29 2.447 8.209 -8.219 1.00 12.11 H new ATOM 0 HD11 ILE A 29 6.232 6.217 -7.876 1.00 55.12 H new ATOM 0 HD12 ILE A 29 5.035 4.936 -8.186 1.00 55.12 H new ATOM 0 HD13 ILE A 29 4.923 6.487 -9.052 1.00 55.12 H new ATOM 458 N SER A 30 -0.294 6.766 -6.762 1.00 13.23 N ATOM 459 CA SER A 30 -1.616 6.219 -7.088 1.00 63.31 C ATOM 460 C SER A 30 -1.851 6.278 -8.599 1.00 2.32 C ATOM 461 O SER A 30 -2.290 7.297 -9.132 1.00 74.43 O ATOM 462 CB SER A 30 -2.728 6.977 -6.353 1.00 22.43 C ATOM 463 OG SER A 30 -3.989 6.346 -6.527 1.00 55.52 O ATOM 0 H SER A 30 -0.142 7.719 -7.093 1.00 13.23 H new ATOM 0 HA SER A 30 -1.641 5.180 -6.760 1.00 63.31 H new ATOM 0 HB2 SER A 30 -2.491 7.033 -5.291 1.00 22.43 H new ATOM 0 HB3 SER A 30 -2.778 8.001 -6.723 1.00 22.43 H new ATOM 0 HG SER A 30 -4.250 5.902 -5.693 1.00 55.52 H new ATOM 469 N GLY A 31 -1.526 5.189 -9.290 1.00 12.45 N ATOM 470 CA GLY A 31 -1.615 5.165 -10.747 1.00 31.42 C ATOM 471 C GLY A 31 -3.026 4.926 -11.265 1.00 1.11 C ATOM 472 O GLY A 31 -3.783 4.148 -10.683 1.00 14.12 O ATOM 0 H GLY A 31 -1.201 4.318 -8.869 1.00 12.45 H new ATOM 0 HA2 GLY A 31 -1.247 6.112 -11.141 1.00 31.42 H new ATOM 0 HA3 GLY A 31 -0.959 4.384 -11.130 1.00 31.42 H new ATOM 711 N GLU A 47 -12.960 -8.226 -8.887 1.00 12.23 N ATOM 712 CA GLU A 47 -11.916 -7.545 -9.662 1.00 70.23 C ATOM 713 C GLU A 47 -11.378 -6.307 -8.917 1.00 70.53 C ATOM 714 O GLU A 47 -10.180 -6.016 -8.960 1.00 44.44 O ATOM 715 CB GLU A 47 -12.445 -7.147 -11.049 1.00 3.54 C ATOM 716 CG GLU A 47 -11.397 -6.473 -11.932 1.00 2.13 C ATOM 717 CD GLU A 47 -11.889 -6.209 -13.344 1.00 21.24 C ATOM 718 OE1 GLU A 47 -12.529 -5.163 -13.574 1.00 13.40 O ATOM 719 OE2 GLU A 47 -11.626 -7.041 -14.240 1.00 12.52 O ATOM 0 HA GLU A 47 -11.090 -8.244 -9.789 1.00 70.23 H new ATOM 0 HB2 GLU A 47 -12.817 -8.037 -11.556 1.00 3.54 H new ATOM 0 HB3 GLU A 47 -13.292 -6.473 -10.926 1.00 3.54 H new ATOM 0 HG2 GLU A 47 -11.098 -5.529 -11.475 1.00 2.13 H new ATOM 0 HG3 GLU A 47 -10.508 -7.102 -11.975 1.00 2.13 H new ATOM 726 N TYR A 48 -12.261 -5.595 -8.211 1.00 71.40 N ATOM 727 CA TYR A 48 -11.846 -4.437 -7.407 1.00 52.12 C ATOM 728 C TYR A 48 -10.951 -4.900 -6.239 1.00 2.13 C ATOM 729 O TYR A 48 -10.108 -4.152 -5.739 1.00 40.01 O ATOM 730 CB TYR A 48 -13.083 -3.669 -6.882 1.00 4.10 C ATOM 731 CG TYR A 48 -12.968 -2.150 -6.978 1.00 31.03 C ATOM 732 CD1 TYR A 48 -11.837 -1.484 -6.520 1.00 30.14 C ATOM 733 CD2 TYR A 48 -13.995 -1.382 -7.530 1.00 1.14 C ATOM 734 CE1 TYR A 48 -11.729 -0.108 -6.613 1.00 24.41 C ATOM 735 CE2 TYR A 48 -13.892 -0.004 -7.625 1.00 35.02 C ATOM 736 CZ TYR A 48 -12.757 0.626 -7.167 1.00 35.23 C ATOM 737 OH TYR A 48 -12.650 1.998 -7.255 1.00 13.42 O ATOM 0 H TYR A 48 -13.260 -5.796 -8.178 1.00 71.40 H new ATOM 0 HA TYR A 48 -11.271 -3.758 -8.037 1.00 52.12 H new ATOM 0 HB2 TYR A 48 -13.961 -3.991 -7.442 1.00 4.10 H new ATOM 0 HB3 TYR A 48 -13.251 -3.944 -5.841 1.00 4.10 H new ATOM 0 HD1 TYR A 48 -11.028 -2.051 -6.084 1.00 30.14 H new ATOM 0 HD2 TYR A 48 -14.887 -1.872 -7.890 1.00 1.14 H new ATOM 0 HE1 TYR A 48 -10.841 0.391 -6.252 1.00 24.41 H new ATOM 0 HE2 TYR A 48 -14.697 0.573 -8.056 1.00 35.02 H new ATOM 0 HH TYR A 48 -13.459 2.363 -7.671 1.00 13.42 H new ATOM 747 N PHE A 49 -11.134 -6.156 -5.828 1.00 34.30 N ATOM 748 CA PHE A 49 -10.322 -6.768 -4.767 1.00 2.04 C ATOM 749 C PHE A 49 -9.027 -7.380 -5.343 1.00 2.13 C ATOM 750 O PHE A 49 -8.072 -7.651 -4.618 1.00 12.41 O ATOM 751 CB PHE A 49 -11.151 -7.845 -4.040 1.00 72.54 C ATOM 752 CG PHE A 49 -10.500 -8.394 -2.793 1.00 5.21 C ATOM 753 CD1 PHE A 49 -10.642 -7.741 -1.576 1.00 74.43 C ATOM 754 CD2 PHE A 49 -9.752 -9.563 -2.835 1.00 22.44 C ATOM 755 CE1 PHE A 49 -10.051 -8.239 -0.431 1.00 4.45 C ATOM 756 CE2 PHE A 49 -9.159 -10.064 -1.692 1.00 52.43 C ATOM 757 CZ PHE A 49 -9.308 -9.403 -0.489 1.00 60.05 C ATOM 0 H PHE A 49 -11.844 -6.777 -6.216 1.00 34.30 H new ATOM 0 HA PHE A 49 -10.035 -5.994 -4.056 1.00 2.04 H new ATOM 0 HB2 PHE A 49 -12.120 -7.423 -3.774 1.00 72.54 H new ATOM 0 HB3 PHE A 49 -11.340 -8.668 -4.729 1.00 72.54 H new ATOM 0 HD1 PHE A 49 -11.222 -6.832 -1.524 1.00 74.43 H new ATOM 0 HD2 PHE A 49 -9.632 -10.087 -3.772 1.00 22.44 H new ATOM 0 HE1 PHE A 49 -10.169 -7.719 0.508 1.00 4.45 H new ATOM 0 HE2 PHE A 49 -8.578 -10.973 -1.740 1.00 52.43 H new ATOM 0 HZ PHE A 49 -8.845 -9.795 0.405 1.00 60.05 H new ATOM 767 N ASN A 50 -8.997 -7.596 -6.655 1.00 73.24 N ATOM 768 CA ASN A 50 -7.808 -8.147 -7.317 1.00 45.14 C ATOM 769 C ASN A 50 -6.781 -7.054 -7.665 1.00 73.42 C ATOM 770 O ASN A 50 -5.575 -7.228 -7.462 1.00 30.14 O ATOM 771 CB ASN A 50 -8.206 -8.887 -8.601 1.00 34.14 C ATOM 772 CG ASN A 50 -9.072 -10.104 -8.340 1.00 40.20 C ATOM 773 OD1 ASN A 50 -8.958 -10.760 -7.312 1.00 2.21 O ATOM 774 ND2 ASN A 50 -9.938 -10.424 -9.281 1.00 61.13 N ATOM 0 H ASN A 50 -9.777 -7.400 -7.283 1.00 73.24 H new ATOM 0 HA ASN A 50 -7.346 -8.840 -6.614 1.00 45.14 H new ATOM 0 HB2 ASN A 50 -8.741 -8.201 -9.258 1.00 34.14 H new ATOM 0 HB3 ASN A 50 -7.304 -9.196 -9.130 1.00 34.14 H new ATOM 0 HD21 ASN A 50 -10.539 -11.240 -9.165 1.00 61.13 H new ATOM 0 HD22 ASN A 50 -10.007 -9.856 -10.125 1.00 61.13 H new ATOM 781 N ALA A 51 -7.267 -5.928 -8.183 1.00 52.24 N ATOM 782 CA ALA A 51 -6.393 -4.891 -8.744 1.00 52.52 C ATOM 783 C ALA A 51 -5.765 -3.969 -7.681 1.00 71.52 C ATOM 784 O ALA A 51 -4.553 -3.958 -7.498 1.00 43.24 O ATOM 785 CB ALA A 51 -7.177 -4.060 -9.756 1.00 1.41 C ATOM 0 H ALA A 51 -8.262 -5.707 -8.228 1.00 52.24 H new ATOM 0 HA ALA A 51 -5.563 -5.407 -9.228 1.00 52.52 H new ATOM 0 HB1 ALA A 51 -6.529 -3.289 -10.174 1.00 1.41 H new ATOM 0 HB2 ALA A 51 -7.536 -4.706 -10.557 1.00 1.41 H new ATOM 0 HB3 ALA A 51 -8.027 -3.590 -9.261 1.00 1.41 H new ATOM 791 N VAL A 52 -6.594 -3.216 -6.966 1.00 4.21 N ATOM 792 CA VAL A 52 -6.105 -2.115 -6.116 1.00 71.44 C ATOM 793 C VAL A 52 -5.736 -2.555 -4.685 1.00 72.22 C ATOM 794 O VAL A 52 -5.667 -1.726 -3.780 1.00 24.51 O ATOM 795 CB VAL A 52 -7.168 -0.990 -6.036 1.00 63.11 C ATOM 796 CG1 VAL A 52 -7.496 -0.456 -7.429 1.00 63.12 C ATOM 797 CG2 VAL A 52 -8.433 -1.487 -5.336 1.00 52.52 C ATOM 0 H VAL A 52 -7.606 -3.340 -6.952 1.00 4.21 H new ATOM 0 HA VAL A 52 -5.191 -1.755 -6.589 1.00 71.44 H new ATOM 0 HB VAL A 52 -6.753 -0.173 -5.447 1.00 63.11 H new ATOM 0 HG11 VAL A 52 -8.244 0.333 -7.349 1.00 63.12 H new ATOM 0 HG12 VAL A 52 -6.592 -0.054 -7.887 1.00 63.12 H new ATOM 0 HG13 VAL A 52 -7.886 -1.265 -8.046 1.00 63.12 H new ATOM 0 HG21 VAL A 52 -9.165 -0.681 -5.291 1.00 52.52 H new ATOM 0 HG22 VAL A 52 -8.851 -2.326 -5.892 1.00 52.52 H new ATOM 0 HG23 VAL A 52 -8.186 -1.809 -4.324 1.00 52.52 H new ATOM 807 N ASN A 53 -5.476 -3.846 -4.480 1.00 75.43 N ATOM 808 CA ASN A 53 -5.251 -4.375 -3.120 1.00 63.34 C ATOM 809 C ASN A 53 -3.772 -4.683 -2.827 1.00 62.35 C ATOM 810 O ASN A 53 -3.453 -5.315 -1.817 1.00 52.32 O ATOM 811 CB ASN A 53 -6.090 -5.641 -2.894 1.00 62.21 C ATOM 812 CG ASN A 53 -7.587 -5.382 -2.918 1.00 50.41 C ATOM 813 OD1 ASN A 53 -8.043 -4.510 -3.794 1.00 61.12 O flip ATOM 814 ND2 ASN A 53 -8.340 -5.988 -2.173 1.00 52.00 N flip ATOM 0 H ASN A 53 -5.415 -4.543 -5.222 1.00 75.43 H new ATOM 0 HA ASN A 53 -5.561 -3.589 -2.431 1.00 63.34 H new ATOM 0 HB2 ASN A 53 -5.843 -6.374 -3.662 1.00 62.21 H new ATOM 0 HB3 ASN A 53 -5.820 -6.081 -1.934 1.00 62.21 H new ATOM 0 HD21 ASN A 53 -7.964 -6.658 -1.503 1.00 52.00 H new ATOM 0 HD22 ASN A 53 -9.346 -5.824 -2.221 1.00 52.00 H new ATOM 821 N TYR A 54 -2.864 -4.225 -3.683 1.00 34.11 N ATOM 822 CA TYR A 54 -1.437 -4.496 -3.480 1.00 54.01 C ATOM 823 C TYR A 54 -0.577 -3.257 -3.753 1.00 50.20 C ATOM 824 O TYR A 54 -1.033 -2.286 -4.361 1.00 33.51 O ATOM 825 CB TYR A 54 -0.977 -5.663 -4.369 1.00 52.14 C ATOM 826 CG TYR A 54 -0.793 -5.307 -5.837 1.00 41.33 C ATOM 827 CD1 TYR A 54 -1.880 -5.221 -6.699 1.00 52.15 C ATOM 828 CD2 TYR A 54 0.474 -5.054 -6.355 1.00 62.12 C ATOM 829 CE1 TYR A 54 -1.709 -4.898 -8.033 1.00 62.42 C ATOM 830 CE2 TYR A 54 0.651 -4.732 -7.686 1.00 24.33 C ATOM 831 CZ TYR A 54 -0.442 -4.652 -8.520 1.00 74.14 C ATOM 832 OH TYR A 54 -0.261 -4.339 -9.850 1.00 4.25 O ATOM 0 H TYR A 54 -3.081 -3.673 -4.513 1.00 34.11 H new ATOM 0 HA TYR A 54 -1.305 -4.770 -2.433 1.00 54.01 H new ATOM 0 HB2 TYR A 54 -0.034 -6.048 -3.981 1.00 52.14 H new ATOM 0 HB3 TYR A 54 -1.706 -6.470 -4.293 1.00 52.14 H new ATOM 0 HD1 TYR A 54 -2.874 -5.409 -6.321 1.00 52.15 H new ATOM 0 HD2 TYR A 54 1.334 -5.111 -5.704 1.00 62.12 H new ATOM 0 HE1 TYR A 54 -2.564 -4.839 -8.691 1.00 62.42 H new ATOM 0 HE2 TYR A 54 1.642 -4.544 -8.071 1.00 24.33 H new ATOM 0 HH TYR A 54 0.692 -4.195 -10.025 1.00 4.25 H new ATOM 842 N ALA A 55 0.674 -3.307 -3.299 1.00 15.34 N ATOM 843 CA ALA A 55 1.630 -2.220 -3.517 1.00 34.25 C ATOM 844 C ALA A 55 2.915 -2.736 -4.181 1.00 53.52 C ATOM 845 O ALA A 55 3.395 -3.827 -3.869 1.00 64.34 O ATOM 846 CB ALA A 55 1.960 -1.535 -2.196 1.00 20.10 C ATOM 0 H ALA A 55 1.053 -4.095 -2.774 1.00 15.34 H new ATOM 0 HA ALA A 55 1.169 -1.496 -4.189 1.00 34.25 H new ATOM 0 HB1 ALA A 55 2.672 -0.729 -2.372 1.00 20.10 H new ATOM 0 HB2 ALA A 55 1.048 -1.126 -1.761 1.00 20.10 H new ATOM 0 HB3 ALA A 55 2.396 -2.260 -1.509 1.00 20.10 H new ATOM 852 N GLU A 56 3.458 -1.943 -5.097 1.00 15.44 N ATOM 853 CA GLU A 56 4.705 -2.272 -5.788 1.00 35.33 C ATOM 854 C GLU A 56 5.914 -1.638 -5.081 1.00 52.23 C ATOM 855 O GLU A 56 6.062 -0.415 -5.062 1.00 44.14 O ATOM 856 CB GLU A 56 4.636 -1.788 -7.245 1.00 73.44 C ATOM 857 CG GLU A 56 3.568 -2.491 -8.084 1.00 22.13 C ATOM 858 CD GLU A 56 3.524 -2.006 -9.528 1.00 15.41 C ATOM 859 OE1 GLU A 56 4.585 -1.641 -10.075 1.00 25.51 O ATOM 860 OE2 GLU A 56 2.428 -1.993 -10.130 1.00 40.34 O ATOM 0 H GLU A 56 3.049 -1.054 -5.384 1.00 15.44 H new ATOM 0 HA GLU A 56 4.831 -3.355 -5.770 1.00 35.33 H new ATOM 0 HB2 GLU A 56 4.441 -0.716 -7.252 1.00 73.44 H new ATOM 0 HB3 GLU A 56 5.609 -1.938 -7.713 1.00 73.44 H new ATOM 0 HG2 GLU A 56 3.755 -3.565 -8.074 1.00 22.13 H new ATOM 0 HG3 GLU A 56 2.592 -2.333 -7.625 1.00 22.13 H new ATOM 867 N ILE A 57 6.770 -2.477 -4.500 1.00 64.34 N ATOM 868 CA ILE A 57 7.973 -2.011 -3.797 1.00 12.20 C ATOM 869 C ILE A 57 9.241 -2.382 -4.586 1.00 33.45 C ATOM 870 O ILE A 57 9.288 -3.423 -5.248 1.00 51.21 O ATOM 871 CB ILE A 57 8.074 -2.613 -2.360 1.00 62.15 C ATOM 872 CG1 ILE A 57 6.845 -2.244 -1.502 1.00 73.50 C ATOM 873 CG2 ILE A 57 9.353 -2.154 -1.663 1.00 3.21 C ATOM 874 CD1 ILE A 57 5.621 -3.096 -1.770 1.00 23.02 C ATOM 0 H ILE A 57 6.655 -3.490 -4.500 1.00 64.34 H new ATOM 0 HA ILE A 57 7.893 -0.927 -3.716 1.00 12.20 H new ATOM 0 HB ILE A 57 8.101 -3.697 -2.468 1.00 62.15 H new ATOM 0 HG12 ILE A 57 7.112 -2.332 -0.449 1.00 73.50 H new ATOM 0 HG13 ILE A 57 6.592 -1.199 -1.680 1.00 73.50 H new ATOM 0 HG21 ILE A 57 9.399 -2.588 -0.664 1.00 3.21 H new ATOM 0 HG22 ILE A 57 10.219 -2.480 -2.240 1.00 3.21 H new ATOM 0 HG23 ILE A 57 9.356 -1.067 -1.587 1.00 3.21 H new ATOM 0 HD11 ILE A 57 4.804 -2.771 -1.126 1.00 23.02 H new ATOM 0 HD12 ILE A 57 5.325 -2.990 -2.814 1.00 23.02 H new ATOM 0 HD13 ILE A 57 5.853 -4.141 -1.563 1.00 23.02 H new ATOM 886 N ASN A 58 10.258 -1.519 -4.528 1.00 70.12 N ATOM 887 CA ASN A 58 11.545 -1.783 -5.185 1.00 33.11 C ATOM 888 C ASN A 58 12.266 -2.973 -4.528 1.00 12.04 C ATOM 889 O ASN A 58 12.090 -3.234 -3.341 1.00 34.02 O ATOM 890 CB ASN A 58 12.428 -0.530 -5.120 1.00 62.24 C ATOM 891 CG ASN A 58 13.776 -0.727 -5.795 1.00 4.34 C ATOM 892 OD1 ASN A 58 14.751 -1.126 -5.165 1.00 41.05 O ATOM 893 ND2 ASN A 58 13.845 -0.458 -7.081 1.00 62.30 N ATOM 0 H ASN A 58 10.217 -0.629 -4.032 1.00 70.12 H new ATOM 0 HA ASN A 58 11.354 -2.037 -6.228 1.00 33.11 H new ATOM 0 HB2 ASN A 58 11.907 0.302 -5.594 1.00 62.24 H new ATOM 0 HB3 ASN A 58 12.585 -0.255 -4.077 1.00 62.24 H new ATOM 0 HD21 ASN A 58 14.726 -0.580 -7.581 1.00 62.30 H new ATOM 0 HD22 ASN A 58 13.018 -0.128 -7.578 1.00 62.30 H new ATOM 900 N GLU A 59 13.088 -3.679 -5.301 1.00 2.32 N ATOM 901 CA GLU A 59 13.793 -4.871 -4.804 1.00 34.42 C ATOM 902 C GLU A 59 14.671 -4.565 -3.576 1.00 33.13 C ATOM 903 O GLU A 59 14.703 -5.333 -2.616 1.00 45.34 O ATOM 904 CB GLU A 59 14.646 -5.481 -5.923 1.00 5.51 C ATOM 905 CG GLU A 59 15.425 -6.718 -5.498 1.00 32.32 C ATOM 906 CD GLU A 59 16.049 -7.447 -6.675 1.00 44.53 C ATOM 907 OE1 GLU A 59 15.385 -8.336 -7.252 1.00 12.34 O ATOM 908 OE2 GLU A 59 17.201 -7.129 -7.040 1.00 13.04 O ATOM 0 H GLU A 59 13.286 -3.451 -6.275 1.00 2.32 H new ATOM 0 HA GLU A 59 13.035 -5.587 -4.487 1.00 34.42 H new ATOM 0 HB2 GLU A 59 13.998 -5.741 -6.760 1.00 5.51 H new ATOM 0 HB3 GLU A 59 15.347 -4.728 -6.284 1.00 5.51 H new ATOM 0 HG2 GLU A 59 16.209 -6.427 -4.799 1.00 32.32 H new ATOM 0 HG3 GLU A 59 14.759 -7.397 -4.966 1.00 32.32 H new ATOM 915 N GLU A 60 15.373 -3.438 -3.611 1.00 43.14 N ATOM 916 CA GLU A 60 16.247 -3.030 -2.502 1.00 74.23 C ATOM 917 C GLU A 60 15.451 -2.777 -1.210 1.00 13.20 C ATOM 918 O GLU A 60 15.815 -3.268 -0.137 1.00 42.32 O ATOM 919 CB GLU A 60 17.036 -1.778 -2.896 1.00 21.00 C ATOM 920 CG GLU A 60 17.930 -1.973 -4.116 1.00 20.05 C ATOM 921 CD GLU A 60 19.082 -2.937 -3.869 1.00 24.32 C ATOM 922 OE1 GLU A 60 18.853 -4.167 -3.855 1.00 31.33 O ATOM 923 OE2 GLU A 60 20.227 -2.469 -3.698 1.00 24.20 O ATOM 0 H GLU A 60 15.358 -2.785 -4.394 1.00 43.14 H new ATOM 0 HA GLU A 60 16.940 -3.848 -2.302 1.00 74.23 H new ATOM 0 HB2 GLU A 60 16.336 -0.967 -3.096 1.00 21.00 H new ATOM 0 HB3 GLU A 60 17.652 -1.467 -2.052 1.00 21.00 H new ATOM 0 HG2 GLU A 60 17.327 -2.343 -4.945 1.00 20.05 H new ATOM 0 HG3 GLU A 60 18.332 -1.007 -4.421 1.00 20.05 H new ATOM 930 N ASP A 61 14.366 -2.007 -1.311 1.00 50.12 N ATOM 931 CA ASP A 61 13.489 -1.760 -0.160 1.00 60.52 C ATOM 932 C ASP A 61 12.806 -3.062 0.289 1.00 0.24 C ATOM 933 O ASP A 61 12.618 -3.303 1.480 1.00 35.13 O ATOM 934 CB ASP A 61 12.437 -0.703 -0.505 1.00 53.25 C ATOM 935 CG ASP A 61 13.066 0.589 -0.987 1.00 74.23 C ATOM 936 OD1 ASP A 61 13.808 1.225 -0.206 1.00 42.43 O ATOM 937 OD2 ASP A 61 12.846 0.959 -2.156 1.00 35.14 O ATOM 0 H ASP A 61 14.073 -1.545 -2.172 1.00 50.12 H new ATOM 0 HA ASP A 61 14.101 -1.388 0.662 1.00 60.52 H new ATOM 0 HB2 ASP A 61 11.772 -1.092 -1.276 1.00 53.25 H new ATOM 0 HB3 ASP A 61 11.824 -0.502 0.373 1.00 53.25 H new ATOM 942 N TRP A 62 12.454 -3.898 -0.684 1.00 41.51 N ATOM 943 CA TRP A 62 11.902 -5.232 -0.430 1.00 34.31 C ATOM 944 C TRP A 62 12.816 -6.034 0.513 1.00 21.33 C ATOM 945 O TRP A 62 12.363 -6.611 1.506 1.00 63.23 O ATOM 946 CB TRP A 62 11.742 -5.962 -1.772 1.00 45.44 C ATOM 947 CG TRP A 62 11.198 -7.356 -1.670 1.00 43.14 C ATOM 948 CD1 TRP A 62 11.902 -8.500 -1.426 1.00 25.20 C ATOM 949 CD2 TRP A 62 9.835 -7.751 -1.833 1.00 50.34 C ATOM 950 NE1 TRP A 62 11.055 -9.579 -1.413 1.00 33.53 N ATOM 951 CE2 TRP A 62 9.781 -9.144 -1.660 1.00 62.24 C ATOM 952 CE3 TRP A 62 8.650 -7.057 -2.099 1.00 53.03 C ATOM 953 CZ2 TRP A 62 8.592 -9.858 -1.750 1.00 25.44 C ATOM 954 CZ3 TRP A 62 7.471 -7.769 -2.189 1.00 21.15 C ATOM 955 CH2 TRP A 62 7.449 -9.157 -2.012 1.00 63.32 C ATOM 0 H TRP A 62 12.543 -3.672 -1.675 1.00 41.51 H new ATOM 0 HA TRP A 62 10.931 -5.135 0.056 1.00 34.31 H new ATOM 0 HB2 TRP A 62 11.082 -5.376 -2.412 1.00 45.44 H new ATOM 0 HB3 TRP A 62 12.713 -6.001 -2.266 1.00 45.44 H new ATOM 0 HD1 TRP A 62 12.969 -8.548 -1.267 1.00 25.20 H new ATOM 0 HE1 TRP A 62 11.330 -10.547 -1.246 1.00 33.53 H new ATOM 0 HE3 TRP A 62 8.657 -5.985 -2.231 1.00 53.03 H new ATOM 0 HZ2 TRP A 62 8.572 -10.930 -1.617 1.00 25.44 H new ATOM 0 HZ3 TRP A 62 6.550 -7.246 -2.400 1.00 21.15 H new ATOM 0 HH2 TRP A 62 6.509 -9.685 -2.084 1.00 63.32 H new ATOM 966 N ASN A 63 14.107 -6.056 0.188 1.00 21.24 N ATOM 967 CA ASN A 63 15.109 -6.739 1.011 1.00 11.25 C ATOM 968 C ASN A 63 15.272 -6.047 2.377 1.00 34.44 C ATOM 969 O ASN A 63 15.390 -6.708 3.410 1.00 14.41 O ATOM 970 CB ASN A 63 16.455 -6.778 0.278 1.00 5.55 C ATOM 971 CG ASN A 63 16.348 -7.414 -1.099 1.00 62.14 C ATOM 972 OD1 ASN A 63 15.501 -8.269 -1.341 1.00 71.14 O ATOM 973 ND2 ASN A 63 17.200 -7.003 -2.016 1.00 24.20 N ATOM 0 H ASN A 63 14.488 -5.606 -0.645 1.00 21.24 H new ATOM 0 HA ASN A 63 14.765 -7.758 1.186 1.00 11.25 H new ATOM 0 HB2 ASN A 63 16.840 -5.763 0.177 1.00 5.55 H new ATOM 0 HB3 ASN A 63 17.176 -7.335 0.877 1.00 5.55 H new ATOM 0 HD21 ASN A 63 17.167 -7.397 -2.956 1.00 24.20 H new ATOM 0 HD22 ASN A 63 17.893 -6.291 -1.786 1.00 24.20 H new ATOM 980 N ALA A 64 15.261 -4.712 2.371 1.00 13.13 N ATOM 981 CA ALA A 64 15.385 -3.919 3.604 1.00 23.52 C ATOM 982 C ALA A 64 14.241 -4.205 4.588 1.00 62.43 C ATOM 983 O ALA A 64 14.445 -4.266 5.801 1.00 31.44 O ATOM 984 CB ALA A 64 15.419 -2.434 3.264 1.00 21.52 C ATOM 0 H ALA A 64 15.167 -4.152 1.524 1.00 13.13 H new ATOM 0 HA ALA A 64 16.317 -4.207 4.090 1.00 23.52 H new ATOM 0 HB1 ALA A 64 15.511 -1.853 4.181 1.00 21.52 H new ATOM 0 HB2 ALA A 64 16.272 -2.228 2.617 1.00 21.52 H new ATOM 0 HB3 ALA A 64 14.499 -2.157 2.750 1.00 21.52 H new ATOM 990 N LEU A 65 13.036 -4.364 4.052 1.00 72.32 N ATOM 991 CA LEU A 65 11.857 -4.684 4.862 1.00 32.23 C ATOM 992 C LEU A 65 11.794 -6.184 5.196 1.00 13.15 C ATOM 993 O LEU A 65 10.986 -6.614 6.025 1.00 3.43 O ATOM 994 CB LEU A 65 10.583 -4.261 4.115 1.00 72.54 C ATOM 995 CG LEU A 65 10.497 -2.765 3.764 1.00 52.10 C ATOM 996 CD1 LEU A 65 9.317 -2.491 2.835 1.00 54.03 C ATOM 997 CD2 LEU A 65 10.391 -1.922 5.033 1.00 62.43 C ATOM 0 H LEU A 65 12.845 -4.277 3.054 1.00 72.32 H new ATOM 0 HA LEU A 65 11.932 -4.134 5.800 1.00 32.23 H new ATOM 0 HB2 LEU A 65 10.512 -4.839 3.194 1.00 72.54 H new ATOM 0 HB3 LEU A 65 9.719 -4.525 4.724 1.00 72.54 H new ATOM 0 HG LEU A 65 11.411 -2.485 3.240 1.00 52.10 H new ATOM 0 HD11 LEU A 65 9.277 -1.427 2.601 1.00 54.03 H new ATOM 0 HD12 LEU A 65 9.439 -3.061 1.914 1.00 54.03 H new ATOM 0 HD13 LEU A 65 8.391 -2.789 3.326 1.00 54.03 H new ATOM 0 HD21 LEU A 65 10.331 -0.867 4.765 1.00 62.43 H new ATOM 0 HD22 LEU A 65 9.496 -2.207 5.586 1.00 62.43 H new ATOM 0 HD23 LEU A 65 11.270 -2.089 5.655 1.00 62.43 H new ATOM 1009 N GLY A 66 12.654 -6.972 4.545 1.00 74.23 N ATOM 1010 CA GLY A 66 12.654 -8.419 4.736 1.00 71.35 C ATOM 1011 C GLY A 66 11.364 -9.074 4.258 1.00 51.21 C ATOM 1012 O GLY A 66 10.845 -9.985 4.898 1.00 70.12 O ATOM 0 H GLY A 66 13.354 -6.632 3.886 1.00 74.23 H new ATOM 0 HA2 GLY A 66 13.498 -8.852 4.199 1.00 71.35 H new ATOM 0 HA3 GLY A 66 12.800 -8.642 5.793 1.00 71.35 H new ATOM 1016 N LEU A 67 10.848 -8.605 3.122 1.00 33.34 N ATOM 1017 CA LEU A 67 9.558 -9.077 2.596 1.00 51.12 C ATOM 1018 C LEU A 67 9.668 -10.445 1.904 1.00 30.12 C ATOM 1019 O LEU A 67 10.751 -10.887 1.507 1.00 62.02 O ATOM 1020 CB LEU A 67 8.983 -8.047 1.612 1.00 3.02 C ATOM 1021 CG LEU A 67 8.625 -6.684 2.220 1.00 63.13 C ATOM 1022 CD1 LEU A 67 8.175 -5.705 1.137 1.00 52.32 C ATOM 1023 CD2 LEU A 67 7.548 -6.843 3.288 1.00 42.23 C ATOM 0 H LEU A 67 11.301 -7.897 2.544 1.00 33.34 H new ATOM 0 HA LEU A 67 8.890 -9.195 3.449 1.00 51.12 H new ATOM 0 HB2 LEU A 67 9.707 -7.890 0.812 1.00 3.02 H new ATOM 0 HB3 LEU A 67 8.088 -8.468 1.154 1.00 3.02 H new ATOM 0 HG LEU A 67 9.519 -6.275 2.691 1.00 63.13 H new ATOM 0 HD11 LEU A 67 7.927 -4.747 1.593 1.00 52.32 H new ATOM 0 HD12 LEU A 67 8.980 -5.566 0.415 1.00 52.32 H new ATOM 0 HD13 LEU A 67 7.297 -6.103 0.629 1.00 52.32 H new ATOM 0 HD21 LEU A 67 7.306 -5.867 3.709 1.00 42.23 H new ATOM 0 HD22 LEU A 67 6.654 -7.277 2.841 1.00 42.23 H new ATOM 0 HD23 LEU A 67 7.913 -7.498 4.079 1.00 42.23 H new ATOM 1035 N GLN A 68 8.524 -11.102 1.760 1.00 70.51 N ATOM 1036 CA GLN A 68 8.428 -12.394 1.086 1.00 73.22 C ATOM 1037 C GLN A 68 7.175 -12.421 0.202 1.00 54.24 C ATOM 1038 O GLN A 68 6.082 -12.091 0.655 1.00 75.12 O ATOM 1039 CB GLN A 68 8.377 -13.531 2.114 1.00 33.22 C ATOM 1040 CG GLN A 68 8.260 -14.927 1.505 1.00 44.11 C ATOM 1041 CD GLN A 68 8.210 -16.017 2.562 1.00 53.22 C ATOM 1042 OE1 GLN A 68 7.745 -15.799 3.676 1.00 4.20 O ATOM 1043 NE2 GLN A 68 8.686 -17.200 2.232 1.00 63.51 N ATOM 0 H GLN A 68 7.631 -10.753 2.109 1.00 70.51 H new ATOM 0 HA GLN A 68 9.310 -12.535 0.461 1.00 73.22 H new ATOM 0 HB2 GLN A 68 9.277 -13.490 2.728 1.00 33.22 H new ATOM 0 HB3 GLN A 68 7.529 -13.366 2.779 1.00 33.22 H new ATOM 0 HG2 GLN A 68 7.361 -14.978 0.891 1.00 44.11 H new ATOM 0 HG3 GLN A 68 9.108 -15.104 0.844 1.00 44.11 H new ATOM 0 HE21 GLN A 68 9.067 -17.354 1.298 1.00 63.51 H new ATOM 0 HE22 GLN A 68 8.674 -17.962 2.910 1.00 63.51 H new ATOM 1052 N GLU A 69 7.338 -12.825 -1.052 1.00 42.42 N ATOM 1053 CA GLU A 69 6.246 -12.777 -2.034 1.00 61.33 C ATOM 1054 C GLU A 69 5.006 -13.534 -1.554 1.00 13.32 C ATOM 1055 O GLU A 69 4.891 -14.754 -1.712 1.00 11.13 O ATOM 1056 CB GLU A 69 6.740 -13.319 -3.373 1.00 12.22 C ATOM 1057 CG GLU A 69 7.815 -12.435 -3.987 1.00 15.32 C ATOM 1058 CD GLU A 69 8.655 -13.150 -5.031 1.00 21.12 C ATOM 1059 OE1 GLU A 69 9.445 -14.041 -4.644 1.00 74.54 O ATOM 1060 OE2 GLU A 69 8.546 -12.819 -6.231 1.00 52.03 O ATOM 0 H GLU A 69 8.216 -13.191 -1.420 1.00 42.42 H new ATOM 0 HA GLU A 69 5.944 -11.737 -2.158 1.00 61.33 H new ATOM 0 HB2 GLU A 69 7.135 -14.325 -3.233 1.00 12.22 H new ATOM 0 HB3 GLU A 69 5.900 -13.400 -4.063 1.00 12.22 H new ATOM 0 HG2 GLU A 69 7.343 -11.565 -4.444 1.00 15.32 H new ATOM 0 HG3 GLU A 69 8.468 -12.066 -3.196 1.00 15.32 H new ATOM 1067 N GLY A 70 4.088 -12.788 -0.951 1.00 34.25 N ATOM 1068 CA GLY A 70 2.885 -13.376 -0.373 1.00 70.11 C ATOM 1069 C GLY A 70 2.407 -12.664 0.897 1.00 21.12 C ATOM 1070 O GLY A 70 1.240 -12.802 1.285 1.00 24.44 O ATOM 0 H GLY A 70 4.153 -11.775 -0.849 1.00 34.25 H new ATOM 0 HA2 GLY A 70 2.087 -13.354 -1.115 1.00 70.11 H new ATOM 0 HA3 GLY A 70 3.077 -14.424 -0.142 1.00 70.11 H new ATOM 1074 N ASP A 71 3.290 -11.899 1.551 1.00 11.22 N ATOM 1075 CA ASP A 71 2.920 -11.188 2.790 1.00 72.24 C ATOM 1076 C ASP A 71 2.353 -9.779 2.508 1.00 74.13 C ATOM 1077 O ASP A 71 2.062 -9.424 1.362 1.00 61.11 O ATOM 1078 CB ASP A 71 4.112 -11.120 3.773 1.00 41.32 C ATOM 1079 CG ASP A 71 5.389 -10.537 3.180 1.00 54.55 C ATOM 1080 OD1 ASP A 71 5.310 -9.696 2.264 1.00 65.00 O ATOM 1081 OD2 ASP A 71 6.484 -10.922 3.649 1.00 43.30 O ATOM 0 H ASP A 71 4.254 -11.755 1.251 1.00 11.22 H new ATOM 0 HA ASP A 71 2.124 -11.765 3.260 1.00 72.24 H new ATOM 0 HB2 ASP A 71 3.821 -10.521 4.636 1.00 41.32 H new ATOM 0 HB3 ASP A 71 4.322 -12.125 4.139 1.00 41.32 H new ATOM 1086 N ARG A 72 2.185 -8.983 3.568 1.00 73.52 N ATOM 1087 CA ARG A 72 1.554 -7.661 3.453 1.00 13.33 C ATOM 1088 C ARG A 72 2.321 -6.587 4.241 1.00 4.42 C ATOM 1089 O ARG A 72 3.115 -6.895 5.133 1.00 34.24 O ATOM 1090 CB ARG A 72 0.089 -7.709 3.925 1.00 3.05 C ATOM 1091 CG ARG A 72 -0.112 -8.059 5.401 1.00 4.41 C ATOM 1092 CD ARG A 72 0.141 -9.537 5.691 1.00 2.22 C ATOM 1093 NE ARG A 72 -0.081 -9.861 7.097 1.00 61.23 N ATOM 1094 CZ ARG A 72 0.218 -11.005 7.650 1.00 32.53 C ATOM 1095 NH1 ARG A 72 0.750 -11.960 6.951 1.00 2.02 N ATOM 1096 NH2 ARG A 72 -0.023 -11.190 8.908 1.00 42.55 N ATOM 0 H ARG A 72 2.476 -9.229 4.514 1.00 73.52 H new ATOM 0 HA ARG A 72 1.581 -7.388 2.398 1.00 13.33 H new ATOM 0 HB2 ARG A 72 -0.369 -6.739 3.733 1.00 3.05 H new ATOM 0 HB3 ARG A 72 -0.447 -8.440 3.319 1.00 3.05 H new ATOM 0 HG2 ARG A 72 0.559 -7.453 6.010 1.00 4.41 H new ATOM 0 HG3 ARG A 72 -1.129 -7.803 5.697 1.00 4.41 H new ATOM 0 HD2 ARG A 72 -0.515 -10.146 5.070 1.00 2.22 H new ATOM 0 HD3 ARG A 72 1.165 -9.791 5.417 1.00 2.22 H new ATOM 0 HE ARG A 72 -0.499 -9.143 7.689 1.00 61.23 H new ATOM 0 HH11 ARG A 72 0.939 -11.821 5.958 1.00 2.02 H new ATOM 0 HH12 ARG A 72 0.979 -12.850 7.394 1.00 2.02 H new ATOM 0 HH21 ARG A 72 -0.444 -10.444 9.462 1.00 42.55 H new ATOM 0 HH22 ARG A 72 0.208 -12.082 9.346 1.00 42.55 H new ATOM 1110 N VAL A 73 2.063 -5.320 3.913 1.00 72.11 N ATOM 1111 CA VAL A 73 2.772 -4.194 4.529 1.00 3.24 C ATOM 1112 C VAL A 73 1.814 -3.087 5.001 1.00 43.20 C ATOM 1113 O VAL A 73 0.703 -2.940 4.489 1.00 71.54 O ATOM 1114 CB VAL A 73 3.798 -3.568 3.546 1.00 71.15 C ATOM 1115 CG1 VAL A 73 4.933 -4.545 3.245 1.00 25.51 C ATOM 1116 CG2 VAL A 73 3.109 -3.118 2.254 1.00 5.14 C ATOM 0 H VAL A 73 1.365 -5.046 3.221 1.00 72.11 H new ATOM 0 HA VAL A 73 3.289 -4.606 5.395 1.00 3.24 H new ATOM 0 HB VAL A 73 4.229 -2.689 4.024 1.00 71.15 H new ATOM 0 HG11 VAL A 73 5.638 -4.082 2.554 1.00 25.51 H new ATOM 0 HG12 VAL A 73 5.448 -4.801 4.171 1.00 25.51 H new ATOM 0 HG13 VAL A 73 4.525 -5.450 2.795 1.00 25.51 H new ATOM 0 HG21 VAL A 73 3.847 -2.683 1.581 1.00 5.14 H new ATOM 0 HG22 VAL A 73 2.641 -3.977 1.773 1.00 5.14 H new ATOM 0 HG23 VAL A 73 2.348 -2.374 2.488 1.00 5.14 H new ATOM 1126 N LYS A 74 2.267 -2.320 5.989 1.00 11.21 N ATOM 1127 CA LYS A 74 1.548 -1.141 6.478 1.00 41.25 C ATOM 1128 C LYS A 74 2.118 0.138 5.844 1.00 22.10 C ATOM 1129 O LYS A 74 3.329 0.365 5.868 1.00 63.40 O ATOM 1130 CB LYS A 74 1.666 -1.054 8.009 1.00 25.41 C ATOM 1131 CG LYS A 74 1.016 0.188 8.623 1.00 71.51 C ATOM 1132 CD LYS A 74 -0.493 0.039 8.811 1.00 32.50 C ATOM 1133 CE LYS A 74 -0.835 -0.948 9.927 1.00 73.03 C ATOM 1134 NZ LYS A 74 -2.259 -0.838 10.358 1.00 15.21 N ATOM 0 H LYS A 74 3.145 -2.497 6.476 1.00 11.21 H new ATOM 0 HA LYS A 74 0.498 -1.235 6.199 1.00 41.25 H new ATOM 0 HB2 LYS A 74 1.211 -1.942 8.447 1.00 25.41 H new ATOM 0 HB3 LYS A 74 2.721 -1.069 8.281 1.00 25.41 H new ATOM 0 HG2 LYS A 74 1.479 0.394 9.588 1.00 71.51 H new ATOM 0 HG3 LYS A 74 1.214 1.049 7.984 1.00 71.51 H new ATOM 0 HD2 LYS A 74 -0.928 1.012 9.041 1.00 32.50 H new ATOM 0 HD3 LYS A 74 -0.943 -0.299 7.878 1.00 32.50 H new ATOM 0 HE2 LYS A 74 -0.638 -1.964 9.585 1.00 73.03 H new ATOM 0 HE3 LYS A 74 -0.183 -0.768 10.782 1.00 73.03 H new ATOM 0 HZ1 LYS A 74 -2.451 -1.537 11.104 1.00 15.21 H new ATOM 0 HZ2 LYS A 74 -2.438 0.118 10.725 1.00 15.21 H new ATOM 0 HZ3 LYS A 74 -2.883 -1.019 9.546 1.00 15.21 H new ATOM 1148 N VAL A 75 1.243 0.975 5.296 1.00 41.42 N ATOM 1149 CA VAL A 75 1.656 2.229 4.649 1.00 54.15 C ATOM 1150 C VAL A 75 1.087 3.436 5.407 1.00 55.12 C ATOM 1151 O VAL A 75 -0.122 3.543 5.584 1.00 2.21 O ATOM 1152 CB VAL A 75 1.184 2.286 3.172 1.00 34.23 C ATOM 1153 CG1 VAL A 75 1.698 3.549 2.482 1.00 51.33 C ATOM 1154 CG2 VAL A 75 1.625 1.037 2.409 1.00 43.43 C ATOM 0 H VAL A 75 0.236 0.812 5.284 1.00 41.42 H new ATOM 0 HA VAL A 75 2.745 2.263 4.669 1.00 54.15 H new ATOM 0 HB VAL A 75 0.094 2.318 3.171 1.00 34.23 H new ATOM 0 HG11 VAL A 75 1.353 3.565 1.448 1.00 51.33 H new ATOM 0 HG12 VAL A 75 1.320 4.428 3.004 1.00 51.33 H new ATOM 0 HG13 VAL A 75 2.788 3.556 2.501 1.00 51.33 H new ATOM 0 HG21 VAL A 75 1.282 1.101 1.376 1.00 43.43 H new ATOM 0 HG22 VAL A 75 2.712 0.965 2.426 1.00 43.43 H new ATOM 0 HG23 VAL A 75 1.196 0.153 2.880 1.00 43.43 H new ATOM 1164 N LYS A 76 1.962 4.339 5.850 1.00 34.32 N ATOM 1165 CA LYS A 76 1.548 5.500 6.657 1.00 4.10 C ATOM 1166 C LYS A 76 2.002 6.831 6.030 1.00 64.24 C ATOM 1167 O LYS A 76 3.191 7.039 5.774 1.00 44.33 O ATOM 1168 CB LYS A 76 2.120 5.376 8.078 1.00 31.23 C ATOM 1169 CG LYS A 76 1.420 4.328 8.946 1.00 33.10 C ATOM 1170 CD LYS A 76 2.416 3.487 9.745 1.00 43.11 C ATOM 1171 CE LYS A 76 1.740 2.722 10.879 1.00 3.52 C ATOM 1172 NZ LYS A 76 1.169 3.632 11.909 1.00 1.14 N ATOM 0 H LYS A 76 2.964 4.294 5.666 1.00 34.32 H new ATOM 0 HA LYS A 76 0.459 5.505 6.692 1.00 4.10 H new ATOM 0 HB2 LYS A 76 3.179 5.127 8.011 1.00 31.23 H new ATOM 0 HB3 LYS A 76 2.051 6.345 8.571 1.00 31.23 H new ATOM 0 HG2 LYS A 76 0.734 4.825 9.631 1.00 33.10 H new ATOM 0 HG3 LYS A 76 0.820 3.675 8.312 1.00 33.10 H new ATOM 0 HD2 LYS A 76 2.912 2.782 9.078 1.00 43.11 H new ATOM 0 HD3 LYS A 76 3.190 4.135 10.156 1.00 43.11 H new ATOM 0 HE2 LYS A 76 0.947 2.096 10.470 1.00 3.52 H new ATOM 0 HE3 LYS A 76 2.464 2.055 11.347 1.00 3.52 H new ATOM 0 HZ1 LYS A 76 1.354 3.244 12.856 1.00 1.14 H new ATOM 0 HZ2 LYS A 76 1.610 4.570 11.827 1.00 1.14 H new ATOM 0 HZ3 LYS A 76 0.143 3.719 11.765 1.00 1.14 H new ATOM 1186 N THR A 77 1.046 7.735 5.802 1.00 1.42 N ATOM 1187 CA THR A 77 1.333 9.059 5.215 1.00 43.13 C ATOM 1188 C THR A 77 0.656 10.183 6.011 1.00 41.22 C ATOM 1189 O THR A 77 0.103 9.955 7.089 1.00 74.24 O ATOM 1190 CB THR A 77 0.845 9.167 3.749 1.00 33.01 C ATOM 1191 OG1 THR A 77 -0.588 9.234 3.719 1.00 72.11 O ATOM 1192 CG2 THR A 77 1.322 7.985 2.912 1.00 22.33 C ATOM 0 H THR A 77 0.061 7.579 6.014 1.00 1.42 H new ATOM 0 HA THR A 77 2.417 9.167 5.250 1.00 43.13 H new ATOM 0 HB THR A 77 1.267 10.076 3.320 1.00 33.01 H new ATOM 0 HG1 THR A 77 -0.894 9.287 2.789 1.00 72.11 H new ATOM 0 HG21 THR A 77 0.961 8.094 1.889 1.00 22.33 H new ATOM 0 HG22 THR A 77 2.412 7.956 2.911 1.00 22.33 H new ATOM 0 HG23 THR A 77 0.935 7.059 3.337 1.00 22.33 H new ATOM 1200 N GLU A 78 0.701 11.403 5.470 1.00 32.54 N ATOM 1201 CA GLU A 78 0.063 12.573 6.097 1.00 42.35 C ATOM 1202 C GLU A 78 -1.478 12.530 6.007 1.00 33.21 C ATOM 1203 O GLU A 78 -2.159 13.428 6.507 1.00 40.52 O ATOM 1204 CB GLU A 78 0.571 13.862 5.434 1.00 21.21 C ATOM 1205 CG GLU A 78 0.337 13.904 3.927 1.00 45.50 C ATOM 1206 CD GLU A 78 0.493 15.297 3.339 1.00 70.12 C ATOM 1207 OE1 GLU A 78 1.622 15.678 2.965 1.00 75.43 O ATOM 1208 OE2 GLU A 78 -0.520 16.022 3.253 1.00 61.11 O ATOM 0 H GLU A 78 1.176 11.611 4.592 1.00 32.54 H new ATOM 0 HA GLU A 78 0.333 12.553 7.153 1.00 42.35 H new ATOM 0 HB2 GLU A 78 0.076 14.717 5.894 1.00 21.21 H new ATOM 0 HB3 GLU A 78 1.638 13.967 5.631 1.00 21.21 H new ATOM 0 HG2 GLU A 78 1.038 13.229 3.437 1.00 45.50 H new ATOM 0 HG3 GLU A 78 -0.665 13.535 3.710 1.00 45.50 H new ATOM 1215 N PHE A 79 -2.024 11.509 5.347 1.00 71.43 N ATOM 1216 CA PHE A 79 -3.484 11.369 5.206 1.00 55.14 C ATOM 1217 C PHE A 79 -4.040 10.242 6.094 1.00 44.34 C ATOM 1218 O PHE A 79 -5.101 10.382 6.705 1.00 11.33 O ATOM 1219 CB PHE A 79 -3.853 11.123 3.736 1.00 23.53 C ATOM 1220 CG PHE A 79 -3.518 12.287 2.833 1.00 41.40 C ATOM 1221 CD1 PHE A 79 -4.388 13.365 2.722 1.00 41.52 C ATOM 1222 CD2 PHE A 79 -2.335 12.312 2.108 1.00 3.24 C ATOM 1223 CE1 PHE A 79 -4.085 14.437 1.905 1.00 43.15 C ATOM 1224 CE2 PHE A 79 -2.029 13.384 1.291 1.00 61.33 C ATOM 1225 CZ PHE A 79 -2.903 14.447 1.191 1.00 15.23 C ATOM 0 H PHE A 79 -1.485 10.767 4.901 1.00 71.43 H new ATOM 0 HA PHE A 79 -3.939 12.302 5.539 1.00 55.14 H new ATOM 0 HB2 PHE A 79 -3.330 10.235 3.381 1.00 23.53 H new ATOM 0 HB3 PHE A 79 -4.920 10.914 3.667 1.00 23.53 H new ATOM 0 HD1 PHE A 79 -5.312 13.365 3.281 1.00 41.52 H new ATOM 0 HD2 PHE A 79 -1.645 11.484 2.183 1.00 3.24 H new ATOM 0 HE1 PHE A 79 -4.772 15.267 1.825 1.00 43.15 H new ATOM 0 HE2 PHE A 79 -1.106 13.390 0.731 1.00 61.33 H new ATOM 0 HZ PHE A 79 -2.663 15.286 0.555 1.00 15.23 H new ATOM 1235 N GLY A 80 -3.317 9.129 6.166 1.00 40.24 N ATOM 1236 CA GLY A 80 -3.751 8.003 6.987 1.00 15.52 C ATOM 1237 C GLY A 80 -2.866 6.775 6.813 1.00 63.04 C ATOM 1238 O GLY A 80 -1.667 6.901 6.556 1.00 22.42 O ATOM 0 H GLY A 80 -2.437 8.982 5.672 1.00 40.24 H new ATOM 0 HA2 GLY A 80 -3.750 8.301 8.035 1.00 15.52 H new ATOM 0 HA3 GLY A 80 -4.778 7.745 6.730 1.00 15.52 H new ATOM 1242 N GLU A 81 -3.448 5.584 6.957 1.00 63.41 N ATOM 1243 CA GLU A 81 -2.697 4.338 6.772 1.00 43.13 C ATOM 1244 C GLU A 81 -3.580 3.199 6.245 1.00 54.12 C ATOM 1245 O GLU A 81 -4.779 3.139 6.517 1.00 3.14 O ATOM 1246 CB GLU A 81 -2.011 3.910 8.078 1.00 32.11 C ATOM 1247 CG GLU A 81 -2.958 3.657 9.246 1.00 1.53 C ATOM 1248 CD GLU A 81 -2.233 3.127 10.475 1.00 4.03 C ATOM 1249 OE1 GLU A 81 -1.507 3.912 11.127 1.00 64.44 O ATOM 1250 OE2 GLU A 81 -2.362 1.919 10.776 1.00 22.32 O ATOM 0 H GLU A 81 -4.430 5.454 7.199 1.00 63.41 H new ATOM 0 HA GLU A 81 -1.935 4.542 6.020 1.00 43.13 H new ATOM 0 HB2 GLU A 81 -1.438 3.002 7.890 1.00 32.11 H new ATOM 0 HB3 GLU A 81 -1.298 4.682 8.367 1.00 32.11 H new ATOM 0 HG2 GLU A 81 -3.471 4.584 9.502 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -3.723 2.942 8.942 1.00 1.53 H new ATOM 1257 N VAL A 82 -2.965 2.291 5.489 1.00 74.13 N ATOM 1258 CA VAL A 82 -3.668 1.138 4.917 1.00 25.44 C ATOM 1259 C VAL A 82 -2.754 -0.100 4.903 1.00 54.11 C ATOM 1260 O VAL A 82 -1.529 0.024 4.923 1.00 44.44 O ATOM 1261 CB VAL A 82 -4.157 1.443 3.473 1.00 73.22 C ATOM 1262 CG1 VAL A 82 -2.982 1.537 2.496 1.00 45.52 C ATOM 1263 CG2 VAL A 82 -5.189 0.413 3.002 1.00 51.15 C ATOM 0 H VAL A 82 -1.973 2.330 5.255 1.00 74.13 H new ATOM 0 HA VAL A 82 -4.536 0.934 5.544 1.00 25.44 H new ATOM 0 HB VAL A 82 -4.649 2.415 3.493 1.00 73.22 H new ATOM 0 HG11 VAL A 82 -3.357 1.751 1.495 1.00 45.52 H new ATOM 0 HG12 VAL A 82 -2.310 2.336 2.810 1.00 45.52 H new ATOM 0 HG13 VAL A 82 -2.441 0.591 2.486 1.00 45.52 H new ATOM 0 HG21 VAL A 82 -5.510 0.656 1.989 1.00 51.15 H new ATOM 0 HG22 VAL A 82 -4.742 -0.581 3.012 1.00 51.15 H new ATOM 0 HG23 VAL A 82 -6.051 0.430 3.669 1.00 51.15 H new ATOM 1273 N VAL A 83 -3.352 -1.294 4.891 1.00 33.51 N ATOM 1274 CA VAL A 83 -2.583 -2.544 4.831 1.00 14.34 C ATOM 1275 C VAL A 83 -2.897 -3.314 3.539 1.00 33.54 C ATOM 1276 O VAL A 83 -4.032 -3.757 3.330 1.00 44.05 O ATOM 1277 CB VAL A 83 -2.875 -3.452 6.050 1.00 64.51 C ATOM 1278 CG1 VAL A 83 -1.961 -4.680 6.041 1.00 12.21 C ATOM 1279 CG2 VAL A 83 -2.725 -2.675 7.357 1.00 52.23 C ATOM 0 H VAL A 83 -4.363 -1.424 4.922 1.00 33.51 H new ATOM 0 HA VAL A 83 -1.528 -2.271 4.845 1.00 14.34 H new ATOM 0 HB VAL A 83 -3.907 -3.794 5.978 1.00 64.51 H new ATOM 0 HG11 VAL A 83 -2.183 -5.305 6.906 1.00 12.21 H new ATOM 0 HG12 VAL A 83 -2.128 -5.252 5.128 1.00 12.21 H new ATOM 0 HG13 VAL A 83 -0.920 -4.359 6.082 1.00 12.21 H new ATOM 0 HG21 VAL A 83 -2.935 -3.335 8.199 1.00 52.23 H new ATOM 0 HG22 VAL A 83 -1.707 -2.295 7.439 1.00 52.23 H new ATOM 0 HG23 VAL A 83 -3.426 -1.840 7.366 1.00 52.23 H new ATOM 1289 N VAL A 84 -1.886 -3.465 2.681 1.00 52.31 N ATOM 1290 CA VAL A 84 -2.053 -4.099 1.362 1.00 1.42 C ATOM 1291 C VAL A 84 -1.007 -5.205 1.126 1.00 41.23 C ATOM 1292 O VAL A 84 -0.036 -5.324 1.876 1.00 74.54 O ATOM 1293 CB VAL A 84 -1.935 -3.051 0.225 1.00 44.22 C ATOM 1294 CG1 VAL A 84 -3.038 -1.998 0.331 1.00 15.02 C ATOM 1295 CG2 VAL A 84 -0.556 -2.392 0.241 1.00 40.10 C ATOM 0 H VAL A 84 -0.933 -3.155 2.874 1.00 52.31 H new ATOM 0 HA VAL A 84 -3.048 -4.544 1.352 1.00 1.42 H new ATOM 0 HB VAL A 84 -2.057 -3.570 -0.725 1.00 44.22 H new ATOM 0 HG11 VAL A 84 -2.931 -1.276 -0.479 1.00 15.02 H new ATOM 0 HG12 VAL A 84 -4.012 -2.482 0.259 1.00 15.02 H new ATOM 0 HG13 VAL A 84 -2.959 -1.483 1.289 1.00 15.02 H new ATOM 0 HG21 VAL A 84 -0.493 -1.660 -0.564 1.00 40.10 H new ATOM 0 HG22 VAL A 84 -0.402 -1.893 1.198 1.00 40.10 H new ATOM 0 HG23 VAL A 84 0.212 -3.152 0.101 1.00 40.10 H new ATOM 1305 N PHE A 85 -1.202 -6.002 0.074 1.00 52.31 N ATOM 1306 CA PHE A 85 -0.259 -7.077 -0.271 1.00 63.14 C ATOM 1307 C PHE A 85 1.045 -6.511 -0.861 1.00 24.02 C ATOM 1308 O PHE A 85 1.018 -5.668 -1.755 1.00 74.31 O ATOM 1309 CB PHE A 85 -0.896 -8.055 -1.269 1.00 20.13 C ATOM 1310 CG PHE A 85 -2.099 -8.784 -0.718 1.00 35.21 C ATOM 1311 CD1 PHE A 85 -1.937 -9.855 0.150 1.00 73.31 C ATOM 1312 CD2 PHE A 85 -3.388 -8.401 -1.067 1.00 0.43 C ATOM 1313 CE1 PHE A 85 -3.032 -10.525 0.659 1.00 4.23 C ATOM 1314 CE2 PHE A 85 -4.485 -9.070 -0.560 1.00 31.23 C ATOM 1315 CZ PHE A 85 -4.306 -10.133 0.305 1.00 12.21 C ATOM 0 H PHE A 85 -2.001 -5.927 -0.555 1.00 52.31 H new ATOM 0 HA PHE A 85 -0.019 -7.609 0.649 1.00 63.14 H new ATOM 0 HB2 PHE A 85 -1.192 -7.507 -2.163 1.00 20.13 H new ATOM 0 HB3 PHE A 85 -0.148 -8.786 -1.576 1.00 20.13 H new ATOM 0 HD1 PHE A 85 -0.942 -10.168 0.431 1.00 73.31 H new ATOM 0 HD2 PHE A 85 -3.534 -7.571 -1.742 1.00 0.43 H new ATOM 0 HE1 PHE A 85 -2.891 -11.356 1.334 1.00 4.23 H new ATOM 0 HE2 PHE A 85 -5.482 -8.763 -0.839 1.00 31.23 H new ATOM 0 HZ PHE A 85 -5.163 -10.656 0.703 1.00 12.21 H new ATOM 1325 N ALA A 86 2.182 -6.986 -0.361 1.00 70.03 N ATOM 1326 CA ALA A 86 3.490 -6.510 -0.827 1.00 33.20 C ATOM 1327 C ALA A 86 3.975 -7.281 -2.067 1.00 1.35 C ATOM 1328 O ALA A 86 4.112 -8.504 -2.029 1.00 42.53 O ATOM 1329 CB ALA A 86 4.509 -6.630 0.295 1.00 5.11 C ATOM 0 H ALA A 86 2.229 -7.700 0.366 1.00 70.03 H new ATOM 0 HA ALA A 86 3.381 -5.465 -1.115 1.00 33.20 H new ATOM 0 HB1 ALA A 86 5.479 -6.276 -0.055 1.00 5.11 H new ATOM 0 HB2 ALA A 86 4.187 -6.028 1.145 1.00 5.11 H new ATOM 0 HB3 ALA A 86 4.592 -7.673 0.601 1.00 5.11 H new ATOM 1335 N LYS A 87 4.233 -6.565 -3.163 1.00 65.11 N ATOM 1336 CA LYS A 87 4.757 -7.184 -4.392 1.00 25.20 C ATOM 1337 C LYS A 87 5.923 -6.377 -4.968 1.00 23.41 C ATOM 1338 O LYS A 87 5.995 -5.160 -4.810 1.00 14.11 O ATOM 1339 CB LYS A 87 3.650 -7.327 -5.447 1.00 71.40 C ATOM 1340 CG LYS A 87 2.415 -8.074 -4.964 1.00 3.33 C ATOM 1341 CD LYS A 87 1.449 -8.350 -6.112 1.00 2.55 C ATOM 1342 CE LYS A 87 0.098 -8.826 -5.608 1.00 11.45 C ATOM 1343 NZ LYS A 87 -0.803 -9.241 -6.720 1.00 71.13 N ATOM 0 H LYS A 87 4.089 -5.557 -3.229 1.00 65.11 H new ATOM 0 HA LYS A 87 5.122 -8.176 -4.127 1.00 25.20 H new ATOM 0 HB2 LYS A 87 3.352 -6.333 -5.780 1.00 71.40 H new ATOM 0 HB3 LYS A 87 4.057 -7.845 -6.315 1.00 71.40 H new ATOM 0 HG2 LYS A 87 2.714 -9.016 -4.503 1.00 3.33 H new ATOM 0 HG3 LYS A 87 1.911 -7.489 -4.195 1.00 3.33 H new ATOM 0 HD2 LYS A 87 1.318 -7.444 -6.703 1.00 2.55 H new ATOM 0 HD3 LYS A 87 1.876 -9.103 -6.774 1.00 2.55 H new ATOM 0 HE2 LYS A 87 0.241 -9.664 -4.926 1.00 11.45 H new ATOM 0 HE3 LYS A 87 -0.376 -8.028 -5.037 1.00 11.45 H new ATOM 0 HZ1 LYS A 87 -1.713 -9.558 -6.329 1.00 71.13 H new ATOM 0 HZ2 LYS A 87 -0.962 -8.435 -7.357 1.00 71.13 H new ATOM 0 HZ3 LYS A 87 -0.364 -10.020 -7.250 1.00 71.13 H new ATOM 1357 N LYS A 88 6.833 -7.070 -5.638 1.00 21.23 N ATOM 1358 CA LYS A 88 8.022 -6.447 -6.211 1.00 34.13 C ATOM 1359 C LYS A 88 7.707 -5.873 -7.606 1.00 35.52 C ATOM 1360 O LYS A 88 7.613 -6.616 -8.587 1.00 44.55 O ATOM 1361 CB LYS A 88 9.142 -7.492 -6.287 1.00 23.52 C ATOM 1362 CG LYS A 88 10.536 -6.896 -6.222 1.00 22.54 C ATOM 1363 CD LYS A 88 11.621 -7.973 -6.294 1.00 15.04 C ATOM 1364 CE LYS A 88 11.504 -8.978 -5.150 1.00 20.12 C ATOM 1365 NZ LYS A 88 12.518 -10.061 -5.246 1.00 41.03 N ATOM 0 H LYS A 88 6.770 -8.075 -5.800 1.00 21.23 H new ATOM 0 HA LYS A 88 8.347 -5.620 -5.579 1.00 34.13 H new ATOM 0 HB2 LYS A 88 9.021 -8.202 -5.469 1.00 23.52 H new ATOM 0 HB3 LYS A 88 9.040 -8.055 -7.215 1.00 23.52 H new ATOM 0 HG2 LYS A 88 10.668 -6.192 -7.043 1.00 22.54 H new ATOM 0 HG3 LYS A 88 10.646 -6.331 -5.297 1.00 22.54 H new ATOM 0 HD2 LYS A 88 11.549 -8.498 -7.247 1.00 15.04 H new ATOM 0 HD3 LYS A 88 12.603 -7.501 -6.264 1.00 15.04 H new ATOM 0 HE2 LYS A 88 11.620 -8.458 -4.199 1.00 20.12 H new ATOM 0 HE3 LYS A 88 10.506 -9.416 -5.155 1.00 20.12 H new ATOM 0 HZ1 LYS A 88 12.400 -10.719 -4.449 1.00 41.03 H new ATOM 0 HZ2 LYS A 88 12.393 -10.576 -6.141 1.00 41.03 H new ATOM 0 HZ3 LYS A 88 13.472 -9.647 -5.215 1.00 41.03 H new ATOM 1379 N GLY A 89 7.549 -4.550 -7.693 1.00 24.34 N ATOM 1380 CA GLY A 89 7.003 -3.944 -8.909 1.00 24.52 C ATOM 1381 C GLY A 89 7.917 -2.943 -9.613 1.00 43.42 C ATOM 1382 O GLY A 89 9.114 -2.850 -9.329 1.00 64.34 O ATOM 0 H GLY A 89 7.786 -3.890 -6.953 1.00 24.34 H new ATOM 0 HA2 GLY A 89 6.756 -4.740 -9.611 1.00 24.52 H new ATOM 0 HA3 GLY A 89 6.070 -3.441 -8.656 1.00 24.52 H new ATOM 1386 N ASP A 90 7.322 -2.182 -10.532 1.00 3.20 N ATOM 1387 CA ASP A 90 8.046 -1.244 -11.395 1.00 64.12 C ATOM 1388 C ASP A 90 8.228 0.126 -10.725 1.00 44.31 C ATOM 1389 O ASP A 90 7.512 1.086 -11.017 1.00 52.22 O ATOM 1390 CB ASP A 90 7.290 -1.105 -12.720 1.00 34.15 C ATOM 1391 CG ASP A 90 7.941 -0.140 -13.699 1.00 23.11 C ATOM 1392 OD1 ASP A 90 9.032 -0.452 -14.216 1.00 54.05 O ATOM 1393 OD2 ASP A 90 7.355 0.928 -13.976 1.00 33.43 O ATOM 0 H ASP A 90 6.316 -2.198 -10.701 1.00 3.20 H new ATOM 0 HA ASP A 90 9.045 -1.638 -11.579 1.00 64.12 H new ATOM 0 HB2 ASP A 90 7.213 -2.086 -13.188 1.00 34.15 H new ATOM 0 HB3 ASP A 90 6.274 -0.769 -12.514 1.00 34.15 H new ATOM 1398 N VAL A 91 9.182 0.189 -9.809 1.00 73.52 N ATOM 1399 CA VAL A 91 9.506 1.432 -9.087 1.00 41.43 C ATOM 1400 C VAL A 91 10.998 1.496 -8.706 1.00 60.12 C ATOM 1401 O VAL A 91 11.647 0.459 -8.541 1.00 42.03 O ATOM 1402 CB VAL A 91 8.658 1.585 -7.791 1.00 75.44 C ATOM 1403 CG1 VAL A 91 7.190 1.864 -8.111 1.00 45.12 C ATOM 1404 CG2 VAL A 91 8.790 0.343 -6.911 1.00 75.21 C ATOM 0 H VAL A 91 9.756 -0.609 -9.539 1.00 73.52 H new ATOM 0 HA VAL A 91 9.270 2.248 -9.771 1.00 41.43 H new ATOM 0 HB VAL A 91 9.046 2.443 -7.242 1.00 75.44 H new ATOM 0 HG11 VAL A 91 6.628 1.965 -7.183 1.00 45.12 H new ATOM 0 HG12 VAL A 91 7.112 2.787 -8.685 1.00 45.12 H new ATOM 0 HG13 VAL A 91 6.782 1.039 -8.694 1.00 45.12 H new ATOM 0 HG21 VAL A 91 8.190 0.470 -6.010 1.00 75.21 H new ATOM 0 HG22 VAL A 91 8.440 -0.531 -7.460 1.00 75.21 H new ATOM 0 HG23 VAL A 91 9.835 0.203 -6.634 1.00 75.21 H new ATOM 1414 N PRO A 92 11.566 2.715 -8.577 1.00 14.25 N ATOM 1415 CA PRO A 92 12.933 2.908 -8.059 1.00 73.20 C ATOM 1416 C PRO A 92 12.981 2.876 -6.519 1.00 22.02 C ATOM 1417 O PRO A 92 11.942 2.927 -5.859 1.00 2.34 O ATOM 1418 CB PRO A 92 13.296 4.297 -8.591 1.00 2.21 C ATOM 1419 CG PRO A 92 11.995 5.031 -8.626 1.00 23.11 C ATOM 1420 CD PRO A 92 10.934 4.002 -8.944 1.00 34.33 C ATOM 0 HA PRO A 92 13.619 2.121 -8.372 1.00 73.20 H new ATOM 0 HB2 PRO A 92 14.017 4.795 -7.943 1.00 2.21 H new ATOM 0 HB3 PRO A 92 13.746 4.238 -9.582 1.00 2.21 H new ATOM 0 HG2 PRO A 92 11.795 5.513 -7.669 1.00 23.11 H new ATOM 0 HG3 PRO A 92 12.013 5.817 -9.381 1.00 23.11 H new ATOM 0 HD2 PRO A 92 10.023 4.177 -8.372 1.00 34.33 H new ATOM 0 HD3 PRO A 92 10.658 4.025 -9.998 1.00 34.33 H new ATOM 1428 N LYS A 93 14.183 2.804 -5.939 1.00 34.42 N ATOM 1429 CA LYS A 93 14.309 2.684 -4.480 1.00 5.24 C ATOM 1430 C LYS A 93 13.839 3.958 -3.761 1.00 0.11 C ATOM 1431 O LYS A 93 14.064 5.075 -4.239 1.00 21.35 O ATOM 1432 CB LYS A 93 15.751 2.363 -4.059 1.00 3.02 C ATOM 1433 CG LYS A 93 15.842 1.955 -2.592 1.00 43.21 C ATOM 1434 CD LYS A 93 17.267 1.734 -2.112 1.00 41.11 C ATOM 1435 CE LYS A 93 17.282 1.148 -0.704 1.00 74.45 C ATOM 1436 NZ LYS A 93 16.462 1.946 0.248 1.00 11.32 N ATOM 0 H LYS A 93 15.069 2.826 -6.445 1.00 34.42 H new ATOM 0 HA LYS A 93 13.664 1.857 -4.184 1.00 5.24 H new ATOM 0 HB2 LYS A 93 16.140 1.559 -4.683 1.00 3.02 H new ATOM 0 HB3 LYS A 93 16.382 3.235 -4.232 1.00 3.02 H new ATOM 0 HG2 LYS A 93 15.376 2.726 -1.979 1.00 43.21 H new ATOM 0 HG3 LYS A 93 15.270 1.039 -2.441 1.00 43.21 H new ATOM 0 HD2 LYS A 93 17.785 1.062 -2.796 1.00 41.11 H new ATOM 0 HD3 LYS A 93 17.809 2.679 -2.123 1.00 41.11 H new ATOM 0 HE2 LYS A 93 16.907 0.125 -0.734 1.00 74.45 H new ATOM 0 HE3 LYS A 93 18.310 1.100 -0.344 1.00 74.45 H new ATOM 0 HZ1 LYS A 93 16.768 1.747 1.222 1.00 11.32 H new ATOM 0 HZ2 LYS A 93 16.584 2.959 0.047 1.00 11.32 H new ATOM 0 HZ3 LYS A 93 15.459 1.691 0.141 1.00 11.32 H new ATOM 1450 N GLY A 94 13.222 3.782 -2.591 1.00 42.10 N ATOM 1451 CA GLY A 94 12.648 4.906 -1.861 1.00 40.23 C ATOM 1452 C GLY A 94 11.339 5.418 -2.466 1.00 35.30 C ATOM 1453 O GLY A 94 10.913 6.542 -2.188 1.00 43.34 O ATOM 0 H GLY A 94 13.109 2.877 -2.134 1.00 42.10 H new ATOM 0 HA2 GLY A 94 12.470 4.606 -0.828 1.00 40.23 H new ATOM 0 HA3 GLY A 94 13.371 5.721 -1.836 1.00 40.23 H new ATOM 1457 N MET A 95 10.691 4.596 -3.287 1.00 42.04 N ATOM 1458 CA MET A 95 9.443 4.976 -3.944 1.00 75.45 C ATOM 1459 C MET A 95 8.591 3.731 -4.253 1.00 71.41 C ATOM 1460 O MET A 95 9.113 2.715 -4.708 1.00 75.34 O ATOM 1461 CB MET A 95 9.782 5.746 -5.226 1.00 14.04 C ATOM 1462 CG MET A 95 8.607 6.470 -5.847 1.00 20.12 C ATOM 1463 SD MET A 95 9.118 7.595 -7.166 1.00 43.02 S ATOM 1464 CE MET A 95 7.575 8.422 -7.544 1.00 41.33 C ATOM 0 H MET A 95 11.013 3.655 -3.515 1.00 42.04 H new ATOM 0 HA MET A 95 8.855 5.614 -3.283 1.00 75.45 H new ATOM 0 HB2 MET A 95 10.565 6.472 -5.004 1.00 14.04 H new ATOM 0 HB3 MET A 95 10.192 5.049 -5.957 1.00 14.04 H new ATOM 0 HG2 MET A 95 7.903 5.740 -6.247 1.00 20.12 H new ATOM 0 HG3 MET A 95 8.080 7.032 -5.076 1.00 20.12 H new ATOM 0 HE1 MET A 95 7.203 8.076 -8.508 1.00 41.33 H new ATOM 0 HE2 MET A 95 6.842 8.196 -6.770 1.00 41.33 H new ATOM 0 HE3 MET A 95 7.740 9.499 -7.584 1.00 41.33 H new ATOM 1474 N ILE A 96 7.281 3.807 -4.004 1.00 21.12 N ATOM 1475 CA ILE A 96 6.388 2.652 -4.206 1.00 55.43 C ATOM 1476 C ILE A 96 5.122 3.042 -4.983 1.00 34.13 C ATOM 1477 O ILE A 96 4.652 4.177 -4.907 1.00 21.40 O ATOM 1478 CB ILE A 96 5.979 1.993 -2.858 1.00 20.45 C ATOM 1479 CG1 ILE A 96 5.195 2.979 -1.977 1.00 22.33 C ATOM 1480 CG2 ILE A 96 7.212 1.475 -2.116 1.00 3.35 C ATOM 1481 CD1 ILE A 96 4.707 2.377 -0.673 1.00 72.03 C ATOM 0 H ILE A 96 6.813 4.647 -3.665 1.00 21.12 H new ATOM 0 HA ILE A 96 6.955 1.929 -4.792 1.00 55.43 H new ATOM 0 HB ILE A 96 5.328 1.147 -3.081 1.00 20.45 H new ATOM 0 HG12 ILE A 96 5.829 3.838 -1.756 1.00 22.33 H new ATOM 0 HG13 ILE A 96 4.338 3.352 -2.538 1.00 22.33 H new ATOM 0 HG21 ILE A 96 6.905 1.018 -1.175 1.00 3.35 H new ATOM 0 HG22 ILE A 96 7.722 0.733 -2.731 1.00 3.35 H new ATOM 0 HG23 ILE A 96 7.889 2.305 -1.912 1.00 3.35 H new ATOM 0 HD11 ILE A 96 4.163 3.132 -0.105 1.00 72.03 H new ATOM 0 HD12 ILE A 96 4.047 1.536 -0.885 1.00 72.03 H new ATOM 0 HD13 ILE A 96 5.560 2.030 -0.091 1.00 72.03 H new ATOM 1493 N PHE A 97 4.571 2.089 -5.726 1.00 62.32 N ATOM 1494 CA PHE A 97 3.395 2.338 -6.574 1.00 21.24 C ATOM 1495 C PHE A 97 2.153 1.588 -6.066 1.00 33.13 C ATOM 1496 O PHE A 97 2.209 0.394 -5.802 1.00 64.12 O ATOM 1497 CB PHE A 97 3.705 1.907 -8.017 1.00 63.43 C ATOM 1498 CG PHE A 97 2.557 2.076 -8.986 1.00 72.14 C ATOM 1499 CD1 PHE A 97 1.622 1.063 -9.167 1.00 53.32 C ATOM 1500 CD2 PHE A 97 2.415 3.246 -9.718 1.00 61.25 C ATOM 1501 CE1 PHE A 97 0.577 1.213 -10.055 1.00 4.40 C ATOM 1502 CE2 PHE A 97 1.370 3.399 -10.607 1.00 74.20 C ATOM 1503 CZ PHE A 97 0.450 2.382 -10.775 1.00 41.33 C ATOM 0 H PHE A 97 4.917 1.130 -5.763 1.00 62.32 H new ATOM 0 HA PHE A 97 3.175 3.405 -6.538 1.00 21.24 H new ATOM 0 HB2 PHE A 97 4.556 2.483 -8.379 1.00 63.43 H new ATOM 0 HB3 PHE A 97 4.008 0.860 -8.012 1.00 63.43 H new ATOM 0 HD1 PHE A 97 1.715 0.146 -8.604 1.00 53.32 H new ATOM 0 HD2 PHE A 97 3.130 4.046 -9.591 1.00 61.25 H new ATOM 0 HE1 PHE A 97 -0.140 0.416 -10.186 1.00 4.40 H new ATOM 0 HE2 PHE A 97 1.272 4.314 -11.172 1.00 74.20 H new ATOM 0 HZ PHE A 97 -0.368 2.503 -11.470 1.00 41.33 H new ATOM 1513 N ILE A 98 1.031 2.294 -5.939 1.00 55.32 N ATOM 1514 CA ILE A 98 -0.249 1.660 -5.588 1.00 42.11 C ATOM 1515 C ILE A 98 -1.337 2.013 -6.623 1.00 13.52 C ATOM 1516 O ILE A 98 -1.488 3.177 -7.003 1.00 21.52 O ATOM 1517 CB ILE A 98 -0.732 2.079 -4.167 1.00 50.23 C ATOM 1518 CG1 ILE A 98 0.317 1.695 -3.106 1.00 3.11 C ATOM 1519 CG2 ILE A 98 -2.086 1.442 -3.842 1.00 11.33 C ATOM 1520 CD1 ILE A 98 -0.115 1.965 -1.677 1.00 45.30 C ATOM 0 H ILE A 98 0.977 3.304 -6.073 1.00 55.32 H new ATOM 0 HA ILE A 98 -0.081 0.583 -5.591 1.00 42.11 H new ATOM 0 HB ILE A 98 -0.856 3.162 -4.154 1.00 50.23 H new ATOM 0 HG12 ILE A 98 0.550 0.635 -3.209 1.00 3.11 H new ATOM 0 HG13 ILE A 98 1.237 2.245 -3.305 1.00 3.11 H new ATOM 0 HG21 ILE A 98 -2.403 1.749 -2.845 1.00 11.33 H new ATOM 0 HG22 ILE A 98 -2.826 1.767 -4.574 1.00 11.33 H new ATOM 0 HG23 ILE A 98 -1.995 0.356 -3.875 1.00 11.33 H new ATOM 0 HD11 ILE A 98 0.680 1.667 -0.994 1.00 45.30 H new ATOM 0 HD12 ILE A 98 -0.319 3.029 -1.553 1.00 45.30 H new ATOM 0 HD13 ILE A 98 -1.017 1.394 -1.455 1.00 45.30 H new ATOM 1532 N PRO A 99 -2.091 1.010 -7.118 1.00 10.43 N ATOM 1533 CA PRO A 99 -3.214 1.246 -8.046 1.00 3.41 C ATOM 1534 C PRO A 99 -4.282 2.197 -7.463 1.00 40.41 C ATOM 1535 O PRO A 99 -4.596 2.140 -6.270 1.00 3.22 O ATOM 1536 CB PRO A 99 -3.797 -0.162 -8.262 1.00 73.05 C ATOM 1537 CG PRO A 99 -2.673 -1.090 -7.946 1.00 50.23 C ATOM 1538 CD PRO A 99 -1.902 -0.426 -6.837 1.00 74.32 C ATOM 0 HA PRO A 99 -2.886 1.733 -8.964 1.00 3.41 H new ATOM 0 HB2 PRO A 99 -4.653 -0.340 -7.611 1.00 73.05 H new ATOM 0 HB3 PRO A 99 -4.143 -0.294 -9.287 1.00 73.05 H new ATOM 0 HG2 PRO A 99 -3.046 -2.066 -7.635 1.00 50.23 H new ATOM 0 HG3 PRO A 99 -2.042 -1.253 -8.819 1.00 50.23 H new ATOM 0 HD2 PRO A 99 -2.289 -0.700 -5.856 1.00 74.32 H new ATOM 0 HD3 PRO A 99 -0.849 -0.706 -6.854 1.00 74.32 H new ATOM 1546 N MET A 100 -4.834 3.071 -8.310 1.00 42.15 N ATOM 1547 CA MET A 100 -5.839 4.052 -7.875 1.00 65.13 C ATOM 1548 C MET A 100 -7.086 3.346 -7.318 1.00 10.24 C ATOM 1549 O MET A 100 -7.900 2.811 -8.075 1.00 43.13 O ATOM 1550 CB MET A 100 -6.235 4.968 -9.049 1.00 41.43 C ATOM 1551 CG MET A 100 -6.821 6.327 -8.648 1.00 62.54 C ATOM 1552 SD MET A 100 -8.220 6.221 -7.503 1.00 23.01 S ATOM 1553 CE MET A 100 -7.405 6.451 -5.920 1.00 21.33 C ATOM 0 H MET A 100 -4.603 3.121 -9.302 1.00 42.15 H new ATOM 0 HA MET A 100 -5.401 4.658 -7.082 1.00 65.13 H new ATOM 0 HB2 MET A 100 -5.355 5.139 -9.669 1.00 41.43 H new ATOM 0 HB3 MET A 100 -6.964 4.444 -9.668 1.00 41.43 H new ATOM 0 HG2 MET A 100 -6.036 6.928 -8.190 1.00 62.54 H new ATOM 0 HG3 MET A 100 -7.141 6.852 -9.548 1.00 62.54 H new ATOM 0 HE1 MET A 100 -7.831 5.765 -5.188 1.00 21.33 H new ATOM 0 HE2 MET A 100 -6.339 6.251 -6.027 1.00 21.33 H new ATOM 0 HE3 MET A 100 -7.549 7.477 -5.582 1.00 21.33 H new ATOM 1563 N GLY A 101 -7.221 3.332 -5.994 1.00 54.55 N ATOM 1564 CA GLY A 101 -8.376 2.693 -5.370 1.00 21.31 C ATOM 1565 C GLY A 101 -8.552 3.075 -3.904 1.00 10.15 C ATOM 1566 O GLY A 101 -7.761 3.849 -3.369 1.00 14.44 O ATOM 0 H GLY A 101 -6.557 3.749 -5.342 1.00 54.55 H new ATOM 0 HA2 GLY A 101 -9.276 2.966 -5.921 1.00 21.31 H new ATOM 0 HA3 GLY A 101 -8.271 1.611 -5.447 1.00 21.31 H new ATOM 1570 N PRO A 102 -9.573 2.521 -3.220 1.00 14.13 N ATOM 1571 CA PRO A 102 -9.868 2.850 -1.810 1.00 25.15 C ATOM 1572 C PRO A 102 -8.654 2.646 -0.887 1.00 25.44 C ATOM 1573 O PRO A 102 -8.481 3.361 0.098 1.00 73.31 O ATOM 1574 CB PRO A 102 -11.017 1.889 -1.438 1.00 75.31 C ATOM 1575 CG PRO A 102 -11.047 0.859 -2.525 1.00 43.11 C ATOM 1576 CD PRO A 102 -10.521 1.537 -3.760 1.00 1.31 C ATOM 0 HA PRO A 102 -10.130 3.901 -1.688 1.00 25.15 H new ATOM 0 HB2 PRO A 102 -10.843 1.428 -0.466 1.00 75.31 H new ATOM 0 HB3 PRO A 102 -11.967 2.420 -1.374 1.00 75.31 H new ATOM 0 HG2 PRO A 102 -10.433 -0.002 -2.262 1.00 43.11 H new ATOM 0 HG3 PRO A 102 -12.060 0.491 -2.685 1.00 43.11 H new ATOM 0 HD2 PRO A 102 -10.031 0.831 -4.430 1.00 1.31 H new ATOM 0 HD3 PRO A 102 -11.319 2.015 -4.328 1.00 1.31 H new ATOM 1584 N TYR A 103 -7.808 1.674 -1.225 1.00 4.30 N ATOM 1585 CA TYR A 103 -6.581 1.406 -0.467 1.00 45.52 C ATOM 1586 C TYR A 103 -5.599 2.577 -0.587 1.00 3.32 C ATOM 1587 O TYR A 103 -5.102 3.089 0.416 1.00 15.02 O ATOM 1588 CB TYR A 103 -5.938 0.103 -0.957 1.00 52.10 C ATOM 1589 CG TYR A 103 -6.824 -1.112 -0.748 1.00 65.32 C ATOM 1590 CD1 TYR A 103 -7.926 -1.341 -1.567 1.00 0.02 C ATOM 1591 CD2 TYR A 103 -6.575 -2.015 0.282 1.00 12.01 C ATOM 1592 CE1 TYR A 103 -8.744 -2.435 -1.371 1.00 43.34 C ATOM 1593 CE2 TYR A 103 -7.392 -3.109 0.483 1.00 70.53 C ATOM 1594 CZ TYR A 103 -8.478 -3.311 -0.344 1.00 63.13 C ATOM 1595 OH TYR A 103 -9.299 -4.395 -0.148 1.00 23.31 O ATOM 0 H TYR A 103 -7.949 1.054 -2.023 1.00 4.30 H new ATOM 0 HA TYR A 103 -6.838 1.294 0.586 1.00 45.52 H new ATOM 0 HB2 TYR A 103 -5.704 0.197 -2.017 1.00 52.10 H new ATOM 0 HB3 TYR A 103 -4.994 -0.049 -0.434 1.00 52.10 H new ATOM 0 HD1 TYR A 103 -8.144 -0.651 -2.369 1.00 0.02 H new ATOM 0 HD2 TYR A 103 -5.729 -1.857 0.934 1.00 12.01 H new ATOM 0 HE1 TYR A 103 -9.590 -2.603 -2.021 1.00 43.34 H new ATOM 0 HE2 TYR A 103 -7.182 -3.803 1.283 1.00 70.53 H new ATOM 0 HH TYR A 103 -9.028 -4.867 0.667 1.00 23.31 H new ATOM 1605 N ALA A 104 -5.338 3.007 -1.818 1.00 41.40 N ATOM 1606 CA ALA A 104 -4.510 4.189 -2.063 1.00 74.21 C ATOM 1607 C ALA A 104 -5.157 5.444 -1.454 1.00 33.31 C ATOM 1608 O ALA A 104 -4.476 6.301 -0.902 1.00 5.32 O ATOM 1609 CB ALA A 104 -4.286 4.376 -3.560 1.00 13.31 C ATOM 0 H ALA A 104 -5.687 2.556 -2.664 1.00 41.40 H new ATOM 0 HA ALA A 104 -3.544 4.038 -1.582 1.00 74.21 H new ATOM 0 HB1 ALA A 104 -3.669 5.259 -3.728 1.00 13.31 H new ATOM 0 HB2 ALA A 104 -3.782 3.498 -3.965 1.00 13.31 H new ATOM 0 HB3 ALA A 104 -5.247 4.505 -4.058 1.00 13.31 H new ATOM 1615 N ASN A 105 -6.482 5.525 -1.550 1.00 52.12 N ATOM 1616 CA ASN A 105 -7.262 6.636 -0.984 1.00 14.42 C ATOM 1617 C ASN A 105 -6.955 6.863 0.512 1.00 4.15 C ATOM 1618 O ASN A 105 -7.092 7.974 1.021 1.00 15.25 O ATOM 1619 CB ASN A 105 -8.758 6.347 -1.191 1.00 14.33 C ATOM 1620 CG ASN A 105 -9.667 7.275 -0.410 1.00 62.32 C ATOM 1621 OD1 ASN A 105 -10.066 8.333 -0.889 1.00 63.20 O ATOM 1622 ND2 ASN A 105 -10.020 6.873 0.794 1.00 71.51 N ATOM 0 H ASN A 105 -7.051 4.823 -2.023 1.00 52.12 H new ATOM 0 HA ASN A 105 -6.981 7.553 -1.502 1.00 14.42 H new ATOM 0 HB2 ASN A 105 -8.992 6.430 -2.252 1.00 14.33 H new ATOM 0 HB3 ASN A 105 -8.965 5.318 -0.898 1.00 14.33 H new ATOM 0 HD21 ASN A 105 -10.645 7.447 1.361 1.00 71.51 H new ATOM 0 HD22 ASN A 105 -9.669 5.988 1.159 1.00 71.51 H new ATOM 1629 N MET A 106 -6.530 5.806 1.202 1.00 73.35 N ATOM 1630 CA MET A 106 -6.200 5.886 2.633 1.00 12.42 C ATOM 1631 C MET A 106 -4.869 6.617 2.880 1.00 52.25 C ATOM 1632 O MET A 106 -4.612 7.099 3.984 1.00 1.50 O ATOM 1633 CB MET A 106 -6.116 4.474 3.225 1.00 43.43 C ATOM 1634 CG MET A 106 -7.387 3.661 3.047 1.00 62.41 C ATOM 1635 SD MET A 106 -8.750 4.258 4.064 1.00 24.12 S ATOM 1636 CE MET A 106 -8.266 3.649 5.677 1.00 22.20 C ATOM 0 H MET A 106 -6.404 4.879 0.796 1.00 73.35 H new ATOM 0 HA MET A 106 -6.992 6.456 3.119 1.00 12.42 H new ATOM 0 HB2 MET A 106 -5.287 3.942 2.758 1.00 43.43 H new ATOM 0 HB3 MET A 106 -5.889 4.548 4.288 1.00 43.43 H new ATOM 0 HG2 MET A 106 -7.684 3.686 1.999 1.00 62.41 H new ATOM 0 HG3 MET A 106 -7.184 2.619 3.296 1.00 62.41 H new ATOM 0 HE1 MET A 106 -9.090 3.782 6.378 1.00 22.20 H new ATOM 0 HE2 MET A 106 -8.017 2.590 5.606 1.00 22.20 H new ATOM 0 HE3 MET A 106 -7.396 4.204 6.029 1.00 22.20 H new ATOM 1646 N VAL A 107 -4.022 6.685 1.852 1.00 24.55 N ATOM 1647 CA VAL A 107 -2.665 7.229 2.005 1.00 43.33 C ATOM 1648 C VAL A 107 -2.327 8.312 0.963 1.00 20.24 C ATOM 1649 O VAL A 107 -1.279 8.953 1.051 1.00 73.24 O ATOM 1650 CB VAL A 107 -1.603 6.099 1.932 1.00 32.55 C ATOM 1651 CG1 VAL A 107 -1.759 5.128 3.104 1.00 34.41 C ATOM 1652 CG2 VAL A 107 -1.689 5.356 0.596 1.00 72.25 C ATOM 0 H VAL A 107 -4.247 6.373 0.907 1.00 24.55 H new ATOM 0 HA VAL A 107 -2.642 7.698 2.989 1.00 43.33 H new ATOM 0 HB VAL A 107 -0.617 6.558 2.002 1.00 32.55 H new ATOM 0 HG11 VAL A 107 -1.004 4.345 3.031 1.00 34.41 H new ATOM 0 HG12 VAL A 107 -1.633 5.667 4.043 1.00 34.41 H new ATOM 0 HG13 VAL A 107 -2.752 4.679 3.074 1.00 34.41 H new ATOM 0 HG21 VAL A 107 -0.935 4.569 0.568 1.00 72.25 H new ATOM 0 HG22 VAL A 107 -2.679 4.914 0.489 1.00 72.25 H new ATOM 0 HG23 VAL A 107 -1.513 6.056 -0.221 1.00 72.25 H new ATOM 1662 N ILE A 108 -3.201 8.525 -0.018 1.00 41.32 N ATOM 1663 CA ILE A 108 -2.952 9.547 -1.041 1.00 60.40 C ATOM 1664 C ILE A 108 -3.836 10.787 -0.829 1.00 62.01 C ATOM 1665 O ILE A 108 -4.635 10.844 0.104 1.00 4.13 O ATOM 1666 CB ILE A 108 -3.183 9.016 -2.475 1.00 12.01 C ATOM 1667 CG1 ILE A 108 -4.681 8.901 -2.782 1.00 2.30 C ATOM 1668 CG2 ILE A 108 -2.485 7.669 -2.689 1.00 72.31 C ATOM 1669 CD1 ILE A 108 -4.948 8.715 -4.247 1.00 25.01 C ATOM 0 H ILE A 108 -4.077 8.014 -0.129 1.00 41.32 H new ATOM 0 HA ILE A 108 -1.903 9.821 -0.933 1.00 60.40 H new ATOM 0 HB ILE A 108 -2.745 9.735 -3.167 1.00 12.01 H new ATOM 0 HG12 ILE A 108 -5.100 8.060 -2.229 1.00 2.30 H new ATOM 0 HG13 ILE A 108 -5.191 9.799 -2.433 1.00 2.30 H new ATOM 0 HG21 ILE A 108 -2.667 7.323 -3.706 1.00 72.31 H new ATOM 0 HG22 ILE A 108 -1.413 7.786 -2.531 1.00 72.31 H new ATOM 0 HG23 ILE A 108 -2.878 6.939 -1.982 1.00 72.31 H new ATOM 0 HD11 ILE A 108 -6.022 8.639 -4.414 1.00 25.01 H new ATOM 0 HD12 ILE A 108 -4.554 9.568 -4.800 1.00 25.01 H new ATOM 0 HD13 ILE A 108 -4.461 7.803 -4.593 1.00 25.01 H new ATOM 1681 N ASP A 109 -3.682 11.778 -1.705 1.00 63.12 N ATOM 1682 CA ASP A 109 -4.521 12.978 -1.682 1.00 54.11 C ATOM 1683 C ASP A 109 -5.758 12.799 -2.582 1.00 5.33 C ATOM 1684 O ASP A 109 -5.637 12.734 -3.805 1.00 65.01 O ATOM 1685 CB ASP A 109 -3.703 14.195 -2.139 1.00 45.21 C ATOM 1686 CG ASP A 109 -4.533 15.472 -2.204 1.00 14.45 C ATOM 1687 OD1 ASP A 109 -5.220 15.791 -1.208 1.00 41.31 O ATOM 1688 OD2 ASP A 109 -4.510 16.154 -3.253 1.00 73.25 O ATOM 0 H ASP A 109 -2.980 11.774 -2.445 1.00 63.12 H new ATOM 0 HA ASP A 109 -4.865 13.141 -0.661 1.00 54.11 H new ATOM 0 HB2 ASP A 109 -2.868 14.344 -1.454 1.00 45.21 H new ATOM 0 HB3 ASP A 109 -3.277 13.993 -3.122 1.00 45.21 H new ATOM 1862 N GLY A 122 3.901 10.840 -6.906 1.00 53.41 N ATOM 1863 CA GLY A 122 2.898 10.312 -5.987 1.00 32.42 C ATOM 1864 C GLY A 122 2.889 11.030 -4.640 1.00 14.21 C ATOM 1865 O GLY A 122 3.632 11.993 -4.434 1.00 50.13 O ATOM 0 HA2 GLY A 122 1.913 10.397 -6.445 1.00 32.42 H new ATOM 0 HA3 GLY A 122 3.084 9.250 -5.826 1.00 32.42 H new ATOM 1869 N VAL A 123 2.041 10.569 -3.724 1.00 34.02 N ATOM 1870 CA VAL A 123 1.980 11.131 -2.364 1.00 52.20 C ATOM 1871 C VAL A 123 3.025 10.482 -1.444 1.00 21.41 C ATOM 1872 O VAL A 123 3.078 9.267 -1.312 1.00 24.13 O ATOM 1873 CB VAL A 123 0.573 10.950 -1.749 1.00 60.22 C ATOM 1874 CG1 VAL A 123 0.543 11.437 -0.299 1.00 41.24 C ATOM 1875 CG2 VAL A 123 -0.473 11.673 -2.594 1.00 74.53 C ATOM 0 H VAL A 123 1.384 9.808 -3.892 1.00 34.02 H new ATOM 0 HA VAL A 123 2.198 12.196 -2.449 1.00 52.20 H new ATOM 0 HB VAL A 123 0.333 9.887 -1.745 1.00 60.22 H new ATOM 0 HG11 VAL A 123 -0.458 11.299 0.111 1.00 41.24 H new ATOM 0 HG12 VAL A 123 1.259 10.866 0.292 1.00 41.24 H new ATOM 0 HG13 VAL A 123 0.806 12.494 -0.265 1.00 41.24 H new ATOM 0 HG21 VAL A 123 -1.458 11.536 -2.148 1.00 74.53 H new ATOM 0 HG22 VAL A 123 -0.237 12.736 -2.634 1.00 74.53 H new ATOM 0 HG23 VAL A 123 -0.472 11.263 -3.604 1.00 74.53 H new ATOM 1885 N LYS A 124 3.843 11.299 -0.792 1.00 40.24 N ATOM 1886 CA LYS A 124 4.959 10.787 0.015 1.00 24.31 C ATOM 1887 C LYS A 124 4.497 10.180 1.356 1.00 0.24 C ATOM 1888 O LYS A 124 3.406 10.474 1.849 1.00 40.43 O ATOM 1889 CB LYS A 124 5.969 11.905 0.270 1.00 72.34 C ATOM 1890 CG LYS A 124 6.378 12.663 -0.990 1.00 33.12 C ATOM 1891 CD LYS A 124 7.532 13.618 -0.715 1.00 44.00 C ATOM 1892 CE LYS A 124 8.886 12.925 -0.829 1.00 4.12 C ATOM 1893 NZ LYS A 124 9.224 12.596 -2.240 1.00 23.43 N ATOM 0 H LYS A 124 3.761 12.316 -0.802 1.00 40.24 H new ATOM 0 HA LYS A 124 5.425 9.983 -0.555 1.00 24.31 H new ATOM 0 HB2 LYS A 124 5.545 12.610 0.985 1.00 72.34 H new ATOM 0 HB3 LYS A 124 6.860 11.479 0.732 1.00 72.34 H new ATOM 0 HG2 LYS A 124 6.668 11.954 -1.765 1.00 33.12 H new ATOM 0 HG3 LYS A 124 5.524 13.222 -1.373 1.00 33.12 H new ATOM 0 HD2 LYS A 124 7.490 14.450 -1.418 1.00 44.00 H new ATOM 0 HD3 LYS A 124 7.423 14.040 0.284 1.00 44.00 H new ATOM 0 HE2 LYS A 124 9.660 13.569 -0.411 1.00 4.12 H new ATOM 0 HE3 LYS A 124 8.877 12.011 -0.235 1.00 4.12 H new ATOM 0 HZ1 LYS A 124 9.656 11.651 -2.282 1.00 23.43 H new ATOM 0 HZ2 LYS A 124 8.358 12.607 -2.816 1.00 23.43 H new ATOM 0 HZ3 LYS A 124 9.895 13.300 -2.609 1.00 23.43 H new ATOM 1907 N GLY A 125 5.355 9.345 1.949 1.00 1.11 N ATOM 1908 CA GLY A 125 5.022 8.677 3.209 1.00 34.14 C ATOM 1909 C GLY A 125 6.041 7.613 3.636 1.00 51.30 C ATOM 1910 O GLY A 125 7.227 7.705 3.314 1.00 74.23 O ATOM 0 H GLY A 125 6.278 9.117 1.580 1.00 1.11 H new ATOM 0 HA2 GLY A 125 4.942 9.427 3.996 1.00 34.14 H new ATOM 0 HA3 GLY A 125 4.042 8.210 3.113 1.00 34.14 H new ATOM 1914 N THR A 126 5.576 6.600 4.375 1.00 12.33 N ATOM 1915 CA THR A 126 6.448 5.521 4.886 1.00 55.42 C ATOM 1916 C THR A 126 5.789 4.140 4.733 1.00 31.15 C ATOM 1917 O THR A 126 4.567 4.039 4.604 1.00 54.31 O ATOM 1918 CB THR A 126 6.789 5.720 6.384 1.00 44.04 C ATOM 1919 OG1 THR A 126 5.580 5.746 7.160 1.00 44.35 O ATOM 1920 CG2 THR A 126 7.578 7.007 6.618 1.00 1.14 C ATOM 0 H THR A 126 4.595 6.499 4.637 1.00 12.33 H new ATOM 0 HA THR A 126 7.360 5.566 4.290 1.00 55.42 H new ATOM 0 HB THR A 126 7.412 4.883 6.697 1.00 44.04 H new ATOM 0 HG1 THR A 126 4.845 6.089 6.610 1.00 44.35 H new ATOM 0 HG21 THR A 126 7.798 7.111 7.681 1.00 1.14 H new ATOM 0 HG22 THR A 126 8.511 6.969 6.056 1.00 1.14 H new ATOM 0 HG23 THR A 126 6.988 7.861 6.284 1.00 1.14 H new ATOM 1928 N VAL A 127 6.598 3.076 4.760 1.00 23.40 N ATOM 1929 CA VAL A 127 6.072 1.703 4.670 1.00 4.03 C ATOM 1930 C VAL A 127 6.946 0.696 5.446 1.00 23.41 C ATOM 1931 O VAL A 127 8.170 0.820 5.483 1.00 74.53 O ATOM 1932 CB VAL A 127 5.964 1.247 3.188 1.00 1.02 C ATOM 1933 CG1 VAL A 127 7.341 1.200 2.521 1.00 34.42 C ATOM 1934 CG2 VAL A 127 5.257 -0.105 3.082 1.00 43.21 C ATOM 0 H VAL A 127 7.613 3.134 4.843 1.00 23.40 H new ATOM 0 HA VAL A 127 5.080 1.719 5.122 1.00 4.03 H new ATOM 0 HB VAL A 127 5.363 1.984 2.656 1.00 1.02 H new ATOM 0 HG11 VAL A 127 7.233 0.878 1.485 1.00 34.42 H new ATOM 0 HG12 VAL A 127 7.792 2.192 2.547 1.00 34.42 H new ATOM 0 HG13 VAL A 127 7.980 0.497 3.055 1.00 34.42 H new ATOM 0 HG21 VAL A 127 5.194 -0.402 2.035 1.00 43.21 H new ATOM 0 HG22 VAL A 127 5.820 -0.855 3.638 1.00 43.21 H new ATOM 0 HG23 VAL A 127 4.252 -0.024 3.497 1.00 43.21 H new ATOM 1944 N GLU A 128 6.299 -0.299 6.059 1.00 24.01 N ATOM 1945 CA GLU A 128 6.995 -1.390 6.769 1.00 2.11 C ATOM 1946 C GLU A 128 6.137 -2.665 6.791 1.00 64.12 C ATOM 1947 O GLU A 128 4.921 -2.599 6.610 1.00 24.25 O ATOM 1948 CB GLU A 128 7.332 -0.974 8.213 1.00 22.21 C ATOM 1949 CG GLU A 128 6.133 -0.459 9.006 1.00 33.24 C ATOM 1950 CD GLU A 128 6.457 -0.180 10.470 1.00 20.25 C ATOM 1951 OE1 GLU A 128 7.187 0.798 10.751 1.00 10.41 O ATOM 1952 OE2 GLU A 128 5.978 -0.927 11.349 1.00 22.13 O ATOM 0 H GLU A 128 5.282 -0.376 6.081 1.00 24.01 H new ATOM 0 HA GLU A 128 7.921 -1.595 6.231 1.00 2.11 H new ATOM 0 HB2 GLU A 128 7.761 -1.829 8.736 1.00 22.21 H new ATOM 0 HB3 GLU A 128 8.098 -0.199 8.188 1.00 22.21 H new ATOM 0 HG2 GLU A 128 5.764 0.455 8.541 1.00 33.24 H new ATOM 0 HG3 GLU A 128 5.328 -1.192 8.952 1.00 33.24 H new ATOM 1959 N LYS A 129 6.757 -3.829 7.011 1.00 22.41 N ATOM 1960 CA LYS A 129 5.990 -5.080 7.123 1.00 21.24 C ATOM 1961 C LYS A 129 5.436 -5.271 8.540 1.00 11.03 C ATOM 1962 O LYS A 129 6.085 -4.933 9.527 1.00 3.30 O ATOM 1963 CB LYS A 129 6.816 -6.314 6.721 1.00 21.31 C ATOM 1964 CG LYS A 129 6.082 -7.630 7.017 1.00 2.41 C ATOM 1965 CD LYS A 129 6.537 -8.795 6.143 1.00 4.15 C ATOM 1966 CE LYS A 129 8.000 -9.162 6.348 1.00 24.10 C ATOM 1967 NZ LYS A 129 8.343 -10.416 5.625 1.00 22.11 N ATOM 0 H LYS A 129 7.766 -3.934 7.114 1.00 22.41 H new ATOM 0 HA LYS A 129 5.159 -4.989 6.423 1.00 21.24 H new ATOM 0 HB2 LYS A 129 7.048 -6.262 5.657 1.00 21.31 H new ATOM 0 HB3 LYS A 129 7.766 -6.302 7.256 1.00 21.31 H new ATOM 0 HG2 LYS A 129 6.233 -7.892 8.064 1.00 2.41 H new ATOM 0 HG3 LYS A 129 5.012 -7.478 6.877 1.00 2.41 H new ATOM 0 HD2 LYS A 129 5.917 -9.666 6.357 1.00 4.15 H new ATOM 0 HD3 LYS A 129 6.376 -8.540 5.096 1.00 4.15 H new ATOM 0 HE2 LYS A 129 8.635 -8.349 5.995 1.00 24.10 H new ATOM 0 HE3 LYS A 129 8.202 -9.285 7.412 1.00 24.10 H new ATOM 0 HZ1 LYS A 129 9.255 -10.298 5.139 1.00 22.11 H new ATOM 0 HZ2 LYS A 129 8.411 -11.201 6.304 1.00 22.11 H new ATOM 0 HZ3 LYS A 129 7.603 -10.627 4.925 1.00 22.11 H new ATOM 1981 N THR A 130 4.238 -5.838 8.622 1.00 24.14 N ATOM 1982 CA THR A 130 3.551 -6.037 9.905 1.00 52.52 C ATOM 1983 C THR A 130 2.641 -7.270 9.874 1.00 1.12 C ATOM 1984 O THR A 130 2.284 -7.764 8.805 1.00 4.11 O ATOM 1985 CB THR A 130 2.704 -4.802 10.289 1.00 12.31 C ATOM 1986 OG1 THR A 130 1.934 -5.073 11.474 1.00 31.42 O ATOM 1987 CG2 THR A 130 1.773 -4.403 9.147 1.00 15.13 C ATOM 0 H THR A 130 3.715 -6.172 7.813 1.00 24.14 H new ATOM 0 HA THR A 130 4.331 -6.187 10.652 1.00 52.52 H new ATOM 0 HB THR A 130 3.385 -3.974 10.486 1.00 12.31 H new ATOM 0 HG1 THR A 130 1.663 -4.227 11.888 1.00 31.42 H new ATOM 0 HG21 THR A 130 1.188 -3.532 9.442 1.00 15.13 H new ATOM 0 HG22 THR A 130 2.364 -4.161 8.264 1.00 15.13 H new ATOM 0 HG23 THR A 130 1.101 -5.231 8.919 1.00 15.13 H new ATOM 1995 N ASP A 131 2.269 -7.760 11.053 1.00 43.45 N ATOM 1996 CA ASP A 131 1.374 -8.916 11.167 1.00 0.54 C ATOM 1997 C ASP A 131 -0.091 -8.520 10.886 1.00 52.03 C ATOM 1998 O ASP A 131 -0.968 -9.381 10.775 1.00 31.30 O ATOM 1999 CB ASP A 131 1.514 -9.539 12.563 1.00 12.34 C ATOM 2000 CG ASP A 131 0.708 -10.817 12.712 1.00 44.21 C ATOM 2001 OD1 ASP A 131 1.085 -11.837 12.092 1.00 73.33 O ATOM 2002 OD2 ASP A 131 -0.306 -10.805 13.439 1.00 73.54 O ATOM 0 H ASP A 131 2.573 -7.376 11.948 1.00 43.45 H new ATOM 0 HA ASP A 131 1.660 -9.654 10.417 1.00 0.54 H new ATOM 0 HB2 ASP A 131 2.565 -9.751 12.759 1.00 12.34 H new ATOM 0 HB3 ASP A 131 1.189 -8.818 13.313 1.00 12.34 H new ATOM 2007 N GLU A 132 -0.337 -7.213 10.757 1.00 1.14 N ATOM 2008 CA GLU A 132 -1.674 -6.684 10.437 1.00 71.42 C ATOM 2009 C GLU A 132 -2.308 -7.381 9.222 1.00 22.14 C ATOM 2010 O GLU A 132 -1.611 -7.867 8.330 1.00 43.23 O ATOM 2011 CB GLU A 132 -1.583 -5.180 10.155 1.00 34.21 C ATOM 2012 CG GLU A 132 -1.197 -4.338 11.366 1.00 54.14 C ATOM 2013 CD GLU A 132 -2.371 -4.022 12.280 1.00 30.04 C ATOM 2014 OE1 GLU A 132 -2.662 -4.825 13.195 1.00 2.24 O ATOM 2015 OE2 GLU A 132 -2.999 -2.959 12.094 1.00 40.13 O ATOM 0 H GLU A 132 0.377 -6.493 10.870 1.00 1.14 H new ATOM 0 HA GLU A 132 -2.308 -6.877 11.302 1.00 71.42 H new ATOM 0 HB2 GLU A 132 -0.852 -5.014 9.364 1.00 34.21 H new ATOM 0 HB3 GLU A 132 -2.545 -4.834 9.778 1.00 34.21 H new ATOM 0 HG2 GLU A 132 -0.433 -4.865 11.937 1.00 54.14 H new ATOM 0 HG3 GLU A 132 -0.751 -3.404 11.023 1.00 54.14 H new ATOM 2022 N LYS A 133 -3.633 -7.403 9.195 1.00 72.54 N ATOM 2023 CA LYS A 133 -4.378 -8.022 8.091 1.00 33.54 C ATOM 2024 C LYS A 133 -4.614 -7.029 6.940 1.00 53.10 C ATOM 2025 O LYS A 133 -4.760 -5.826 7.164 1.00 72.11 O ATOM 2026 CB LYS A 133 -5.720 -8.611 8.599 1.00 35.32 C ATOM 2027 CG LYS A 133 -6.586 -7.665 9.451 1.00 53.12 C ATOM 2028 CD LYS A 133 -7.267 -6.567 8.628 1.00 0.21 C ATOM 2029 CE LYS A 133 -8.043 -5.584 9.502 1.00 11.51 C ATOM 2030 NZ LYS A 133 -9.244 -6.198 10.135 1.00 1.00 N ATOM 0 H LYS A 133 -4.222 -7.000 9.924 1.00 72.54 H new ATOM 0 HA LYS A 133 -3.771 -8.838 7.698 1.00 33.54 H new ATOM 0 HB2 LYS A 133 -6.305 -8.930 7.736 1.00 35.32 H new ATOM 0 HB3 LYS A 133 -5.504 -9.504 9.186 1.00 35.32 H new ATOM 0 HG2 LYS A 133 -7.348 -8.248 9.969 1.00 53.12 H new ATOM 0 HG3 LYS A 133 -5.963 -7.203 10.217 1.00 53.12 H new ATOM 0 HD2 LYS A 133 -6.514 -6.025 8.056 1.00 0.21 H new ATOM 0 HD3 LYS A 133 -7.946 -7.024 7.908 1.00 0.21 H new ATOM 0 HE2 LYS A 133 -7.384 -5.199 10.281 1.00 11.51 H new ATOM 0 HE3 LYS A 133 -8.353 -4.732 8.896 1.00 11.51 H new ATOM 0 HZ1 LYS A 133 -9.504 -5.657 10.984 1.00 1.00 H new ATOM 0 HZ2 LYS A 133 -10.036 -6.186 9.461 1.00 1.00 H new ATOM 0 HZ3 LYS A 133 -9.032 -7.180 10.402 1.00 1.00 H new ATOM 2044 N VAL A 134 -4.627 -7.531 5.706 1.00 2.22 N ATOM 2045 CA VAL A 134 -5.001 -6.708 4.554 1.00 15.05 C ATOM 2046 C VAL A 134 -6.489 -6.359 4.603 1.00 12.30 C ATOM 2047 O VAL A 134 -7.337 -7.232 4.818 1.00 11.23 O ATOM 2048 CB VAL A 134 -4.692 -7.413 3.209 1.00 22.11 C ATOM 2049 CG1 VAL A 134 -5.231 -6.601 2.026 1.00 12.52 C ATOM 2050 CG2 VAL A 134 -3.196 -7.648 3.059 1.00 61.24 C ATOM 0 H VAL A 134 -4.385 -8.495 5.478 1.00 2.22 H new ATOM 0 HA VAL A 134 -4.403 -5.798 4.611 1.00 15.05 H new ATOM 0 HB VAL A 134 -5.195 -8.380 3.212 1.00 22.11 H new ATOM 0 HG11 VAL A 134 -5.001 -7.118 1.095 1.00 12.52 H new ATOM 0 HG12 VAL A 134 -6.311 -6.491 2.122 1.00 12.52 H new ATOM 0 HG13 VAL A 134 -4.765 -5.616 2.019 1.00 12.52 H new ATOM 0 HG21 VAL A 134 -2.999 -8.144 2.109 1.00 61.24 H new ATOM 0 HG22 VAL A 134 -2.673 -6.692 3.085 1.00 61.24 H new ATOM 0 HG23 VAL A 134 -2.843 -8.277 3.876 1.00 61.24 H new ATOM 2060 N LEU A 135 -6.806 -5.086 4.406 1.00 41.32 N ATOM 2061 CA LEU A 135 -8.201 -4.642 4.392 1.00 52.43 C ATOM 2062 C LEU A 135 -8.954 -5.211 3.186 1.00 42.12 C ATOM 2063 O LEU A 135 -8.370 -5.448 2.135 1.00 4.14 O ATOM 2064 CB LEU A 135 -8.281 -3.105 4.383 1.00 51.12 C ATOM 2065 CG LEU A 135 -8.170 -2.435 5.763 1.00 42.15 C ATOM 2066 CD1 LEU A 135 -8.196 -0.915 5.635 1.00 2.11 C ATOM 2067 CD2 LEU A 135 -9.298 -2.915 6.676 1.00 2.25 C ATOM 0 H LEU A 135 -6.123 -4.344 4.254 1.00 41.32 H new ATOM 0 HA LEU A 135 -8.675 -5.017 5.299 1.00 52.43 H new ATOM 0 HB2 LEU A 135 -7.486 -2.720 3.745 1.00 51.12 H new ATOM 0 HB3 LEU A 135 -9.226 -2.809 3.928 1.00 51.12 H new ATOM 0 HG LEU A 135 -7.216 -2.720 6.206 1.00 42.15 H new ATOM 0 HD11 LEU A 135 -8.116 -0.465 6.625 1.00 2.11 H new ATOM 0 HD12 LEU A 135 -7.359 -0.587 5.019 1.00 2.11 H new ATOM 0 HD13 LEU A 135 -9.132 -0.605 5.170 1.00 2.11 H new ATOM 0 HD21 LEU A 135 -9.208 -2.433 7.650 1.00 2.25 H new ATOM 0 HD22 LEU A 135 -10.260 -2.658 6.232 1.00 2.25 H new ATOM 0 HD23 LEU A 135 -9.232 -3.996 6.799 1.00 2.25 H new ATOM 2079 N SER A 136 -10.240 -5.471 3.372 1.00 5.04 N ATOM 2080 CA SER A 136 -11.129 -5.798 2.252 1.00 65.50 C ATOM 2081 C SER A 136 -11.749 -4.513 1.710 1.00 13.43 C ATOM 2082 O SER A 136 -11.919 -3.553 2.456 1.00 62.02 O ATOM 2083 CB SER A 136 -12.233 -6.768 2.692 1.00 14.22 C ATOM 2084 OG SER A 136 -13.092 -7.098 1.613 1.00 65.43 O ATOM 0 H SER A 136 -10.696 -5.463 4.284 1.00 5.04 H new ATOM 0 HA SER A 136 -10.545 -6.284 1.471 1.00 65.50 H new ATOM 0 HB2 SER A 136 -11.783 -7.677 3.092 1.00 14.22 H new ATOM 0 HB3 SER A 136 -12.814 -6.319 3.498 1.00 14.22 H new ATOM 0 HG SER A 136 -13.784 -7.719 1.924 1.00 65.43 H new ATOM 2090 N VAL A 137 -12.082 -4.486 0.426 1.00 62.30 N ATOM 2091 CA VAL A 137 -12.632 -3.276 -0.199 1.00 63.34 C ATOM 2092 C VAL A 137 -13.783 -2.680 0.637 1.00 73.50 C ATOM 2093 O VAL A 137 -13.817 -1.477 0.904 1.00 23.24 O ATOM 2094 CB VAL A 137 -13.128 -3.562 -1.640 1.00 10.41 C ATOM 2095 CG1 VAL A 137 -13.716 -2.305 -2.284 1.00 72.24 C ATOM 2096 CG2 VAL A 137 -11.997 -4.133 -2.497 1.00 54.23 C ATOM 0 H VAL A 137 -11.984 -5.281 -0.206 1.00 62.30 H new ATOM 0 HA VAL A 137 -11.822 -2.548 -0.244 1.00 63.34 H new ATOM 0 HB VAL A 137 -13.922 -4.306 -1.579 1.00 10.41 H new ATOM 0 HG11 VAL A 137 -14.055 -2.538 -3.293 1.00 72.24 H new ATOM 0 HG12 VAL A 137 -14.559 -1.953 -1.690 1.00 72.24 H new ATOM 0 HG13 VAL A 137 -12.953 -1.528 -2.328 1.00 72.24 H new ATOM 0 HG21 VAL A 137 -12.366 -4.327 -3.504 1.00 54.23 H new ATOM 0 HG22 VAL A 137 -11.177 -3.416 -2.542 1.00 54.23 H new ATOM 0 HG23 VAL A 137 -11.641 -5.064 -2.056 1.00 54.23 H new ATOM 2106 N LYS A 138 -14.712 -3.536 1.056 1.00 13.42 N ATOM 2107 CA LYS A 138 -15.840 -3.119 1.897 1.00 3.31 C ATOM 2108 C LYS A 138 -15.399 -2.810 3.343 1.00 54.42 C ATOM 2109 O LYS A 138 -15.858 -1.842 3.947 1.00 51.11 O ATOM 2110 CB LYS A 138 -16.924 -4.202 1.897 1.00 71.55 C ATOM 2111 CG LYS A 138 -18.210 -3.783 2.602 1.00 53.32 C ATOM 2112 CD LYS A 138 -19.217 -4.926 2.668 1.00 23.12 C ATOM 2113 CE LYS A 138 -18.675 -6.106 3.463 1.00 25.23 C ATOM 2114 NZ LYS A 138 -19.658 -7.217 3.559 1.00 74.23 N ATOM 0 H LYS A 138 -14.708 -4.530 0.827 1.00 13.42 H new ATOM 0 HA LYS A 138 -16.244 -2.199 1.474 1.00 3.31 H new ATOM 0 HB2 LYS A 138 -17.156 -4.471 0.867 1.00 71.55 H new ATOM 0 HB3 LYS A 138 -16.531 -5.097 2.379 1.00 71.55 H new ATOM 0 HG2 LYS A 138 -17.977 -3.445 3.612 1.00 53.32 H new ATOM 0 HG3 LYS A 138 -18.654 -2.937 2.077 1.00 53.32 H new ATOM 0 HD2 LYS A 138 -20.141 -4.572 3.126 1.00 23.12 H new ATOM 0 HD3 LYS A 138 -19.466 -5.251 1.658 1.00 23.12 H new ATOM 0 HE2 LYS A 138 -17.762 -6.471 2.992 1.00 25.23 H new ATOM 0 HE3 LYS A 138 -18.406 -5.774 4.466 1.00 25.23 H new ATOM 0 HZ1 LYS A 138 -19.246 -7.998 4.108 1.00 74.23 H new ATOM 0 HZ2 LYS A 138 -20.520 -6.878 4.032 1.00 74.23 H new ATOM 0 HZ3 LYS A 138 -19.896 -7.553 2.604 1.00 74.23 H new ATOM 2128 N GLU A 139 -14.496 -3.629 3.889 1.00 11.15 N ATOM 2129 CA GLU A 139 -13.986 -3.432 5.253 1.00 51.24 C ATOM 2130 C GLU A 139 -13.293 -2.068 5.369 1.00 5.10 C ATOM 2131 O GLU A 139 -13.340 -1.400 6.405 1.00 73.02 O ATOM 2132 CB GLU A 139 -13.014 -4.572 5.591 1.00 44.43 C ATOM 2133 CG GLU A 139 -12.367 -4.479 6.968 1.00 11.42 C ATOM 2134 CD GLU A 139 -11.465 -5.670 7.268 1.00 54.23 C ATOM 2135 OE1 GLU A 139 -10.698 -6.084 6.370 1.00 71.11 O ATOM 2136 OE2 GLU A 139 -11.525 -6.214 8.394 1.00 63.52 O ATOM 0 H GLU A 139 -14.101 -4.437 3.408 1.00 11.15 H new ATOM 0 HA GLU A 139 -14.813 -3.446 5.963 1.00 51.24 H new ATOM 0 HB2 GLU A 139 -13.549 -5.519 5.521 1.00 44.43 H new ATOM 0 HB3 GLU A 139 -12.227 -4.594 4.837 1.00 44.43 H new ATOM 0 HG2 GLU A 139 -11.784 -3.560 7.031 1.00 11.42 H new ATOM 0 HG3 GLU A 139 -13.145 -4.416 7.729 1.00 11.42 H new ATOM 2143 N LEU A 140 -12.666 -1.667 4.276 1.00 4.10 N ATOM 2144 CA LEU A 140 -12.058 -0.355 4.141 1.00 71.32 C ATOM 2145 C LEU A 140 -13.139 0.743 4.170 1.00 51.51 C ATOM 2146 O LEU A 140 -12.954 1.801 4.776 1.00 64.02 O ATOM 2147 CB LEU A 140 -11.270 -0.328 2.827 1.00 61.42 C ATOM 2148 CG LEU A 140 -10.071 0.617 2.802 1.00 43.30 C ATOM 2149 CD1 LEU A 140 -9.076 0.176 1.740 1.00 33.42 C ATOM 2150 CD2 LEU A 140 -10.510 2.057 2.561 1.00 43.21 C ATOM 0 H LEU A 140 -12.564 -2.252 3.447 1.00 4.10 H new ATOM 0 HA LEU A 140 -11.382 -0.162 4.974 1.00 71.32 H new ATOM 0 HB2 LEU A 140 -10.920 -1.338 2.612 1.00 61.42 H new ATOM 0 HB3 LEU A 140 -11.949 -0.048 2.022 1.00 61.42 H new ATOM 0 HG LEU A 140 -9.585 0.576 3.777 1.00 43.30 H new ATOM 0 HD11 LEU A 140 -8.226 0.858 1.732 1.00 33.42 H new ATOM 0 HD12 LEU A 140 -8.730 -0.833 1.963 1.00 33.42 H new ATOM 0 HD13 LEU A 140 -9.558 0.187 0.763 1.00 33.42 H new ATOM 0 HD21 LEU A 140 -9.635 2.707 2.548 1.00 43.21 H new ATOM 0 HD22 LEU A 140 -11.026 2.125 1.603 1.00 43.21 H new ATOM 0 HD23 LEU A 140 -11.183 2.371 3.359 1.00 43.21 H new ATOM 2162 N LEU A 141 -14.278 0.469 3.523 1.00 64.15 N ATOM 2163 CA LEU A 141 -15.429 1.383 3.553 1.00 54.11 C ATOM 2164 C LEU A 141 -15.915 1.582 4.992 1.00 44.23 C ATOM 2165 O LEU A 141 -16.131 2.708 5.440 1.00 2.14 O ATOM 2166 CB LEU A 141 -16.588 0.840 2.699 1.00 33.11 C ATOM 2167 CG LEU A 141 -16.236 0.466 1.253 1.00 21.10 C ATOM 2168 CD1 LEU A 141 -17.469 -0.056 0.516 1.00 45.34 C ATOM 2169 CD2 LEU A 141 -15.615 1.648 0.515 1.00 72.25 C ATOM 0 H LEU A 141 -14.429 -0.377 2.973 1.00 64.15 H new ATOM 0 HA LEU A 141 -15.104 2.338 3.141 1.00 54.11 H new ATOM 0 HB2 LEU A 141 -16.996 -0.042 3.193 1.00 33.11 H new ATOM 0 HB3 LEU A 141 -17.380 1.588 2.678 1.00 33.11 H new ATOM 0 HG LEU A 141 -15.494 -0.332 1.281 1.00 21.10 H new ATOM 0 HD11 LEU A 141 -17.198 -0.316 -0.507 1.00 45.34 H new ATOM 0 HD12 LEU A 141 -17.850 -0.941 1.026 1.00 45.34 H new ATOM 0 HD13 LEU A 141 -18.239 0.715 0.503 1.00 45.34 H new ATOM 0 HD21 LEU A 141 -15.376 1.354 -0.507 1.00 72.25 H new ATOM 0 HD22 LEU A 141 -16.321 2.478 0.498 1.00 72.25 H new ATOM 0 HD23 LEU A 141 -14.704 1.958 1.026 1.00 72.25 H new