USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 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= -2.43 F(o=-2.7!,f=-1.6) USER MOD Set 1.2: A 103 TYR OH : rot -165:sc= 0.845 USER MOD Set 2.1: A 30 SER OG : rot 55:sc= -2! USER MOD Set 2.2: A 100 MET CE :methyl 134:sc= -2.36 (180deg=-2.82!) USER MOD Set 3.1: A 23 MET CE :methyl -172:sc= -3.26! (180deg=-3.55!) USER MOD Set 3.2: A 126 THR OG1 : rot -21:sc= 0.134 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 51:sc= 0.0425 USER MOD Single : A 58 ASN : amide:sc= 0.347 K(o=0.35,f=-6.1!) USER MOD Single : A 63 ASN : amide:sc=-0.00156 X(o=-0.0016,f=-0.4) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 74 LYS NZ :NH3+ 153:sc= 0.76 (180deg=0.334) USER MOD Single : A 76 LYS NZ :NH3+ -141:sc= 0.816 (180deg=-1.15!) USER MOD Single : A 77 THR OG1 : rot -167:sc= 1.29 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= 1.3 (180deg=0.998) USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 0.829 (180deg=0.703) USER MOD Single : A 95 MET CE :methyl -114:sc= -1.68! (180deg=-6.1!) USER MOD Single : A 105 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.035) USER MOD Single : A 106 MET CE :methyl -165:sc=-0.00661 (180deg=-0.35) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ -166:sc= -1.23! (180deg=-2!) USER MOD Single : A 130 THR OG1 : rot 170:sc= 0.282 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 11.006 1.363 9.992 1.00 23.45 N ATOM 342 CA MET A 23 10.219 1.566 8.779 1.00 62.23 C ATOM 343 C MET A 23 11.000 2.383 7.734 1.00 13.33 C ATOM 344 O MET A 23 11.970 3.071 8.062 1.00 43.32 O ATOM 345 CB MET A 23 8.914 2.275 9.150 1.00 50.00 C ATOM 346 CG MET A 23 9.117 3.632 9.818 1.00 71.14 C ATOM 347 SD MET A 23 7.620 4.228 10.624 1.00 10.32 S ATOM 348 CE MET A 23 6.422 3.874 9.348 1.00 24.31 C ATOM 0 HA MET A 23 9.999 0.597 8.332 1.00 62.23 H new ATOM 0 HB2 MET A 23 8.316 2.410 8.249 1.00 50.00 H new ATOM 0 HB3 MET A 23 8.341 1.633 9.819 1.00 50.00 H new ATOM 0 HG2 MET A 23 9.918 3.556 10.554 1.00 71.14 H new ATOM 0 HG3 MET A 23 9.438 4.358 9.071 1.00 71.14 H new ATOM 0 HE1 MET A 23 5.460 4.309 9.621 1.00 24.31 H new ATOM 0 HE2 MET A 23 6.759 4.302 8.404 1.00 24.31 H new ATOM 0 HE3 MET A 23 6.314 2.795 9.239 1.00 24.31 H new ATOM 358 N LEU A 24 10.566 2.306 6.480 1.00 11.51 N ATOM 359 CA LEU A 24 11.228 3.012 5.372 1.00 71.14 C ATOM 360 C LEU A 24 10.366 4.163 4.833 1.00 34.32 C ATOM 361 O LEU A 24 9.145 4.049 4.739 1.00 73.15 O ATOM 362 CB LEU A 24 11.546 2.019 4.244 1.00 4.30 C ATOM 363 CG LEU A 24 12.871 1.253 4.404 1.00 45.22 C ATOM 364 CD1 LEU A 24 12.837 -0.060 3.633 1.00 41.13 C ATOM 365 CD2 LEU A 24 14.045 2.116 3.933 1.00 64.42 C ATOM 0 H LEU A 24 9.753 1.759 6.197 1.00 11.51 H new ATOM 0 HA LEU A 24 12.152 3.445 5.754 1.00 71.14 H new ATOM 0 HB2 LEU A 24 10.732 1.297 4.177 1.00 4.30 H new ATOM 0 HB3 LEU A 24 11.570 2.562 3.299 1.00 4.30 H new ATOM 0 HG LEU A 24 13.005 1.024 5.461 1.00 45.22 H new ATOM 0 HD11 LEU A 24 13.785 -0.582 3.762 1.00 41.13 H new ATOM 0 HD12 LEU A 24 12.025 -0.682 4.010 1.00 41.13 H new ATOM 0 HD13 LEU A 24 12.676 0.144 2.574 1.00 41.13 H new ATOM 0 HD21 LEU A 24 14.975 1.561 4.052 1.00 64.42 H new ATOM 0 HD22 LEU A 24 13.908 2.374 2.883 1.00 64.42 H new ATOM 0 HD23 LEU A 24 14.088 3.028 4.528 1.00 64.42 H new ATOM 377 N GLU A 25 11.010 5.273 4.487 1.00 14.43 N ATOM 378 CA GLU A 25 10.315 6.413 3.885 1.00 71.14 C ATOM 379 C GLU A 25 10.285 6.303 2.360 1.00 44.11 C ATOM 380 O GLU A 25 11.320 6.144 1.709 1.00 24.04 O ATOM 381 CB GLU A 25 10.959 7.729 4.330 1.00 60.01 C ATOM 382 CG GLU A 25 10.462 8.188 5.691 1.00 33.21 C ATOM 383 CD GLU A 25 11.305 9.297 6.296 1.00 42.43 C ATOM 384 OE1 GLU A 25 11.046 10.480 5.998 1.00 74.35 O ATOM 385 OE2 GLU A 25 12.223 8.988 7.083 1.00 0.12 O ATOM 0 H GLU A 25 12.013 5.411 4.612 1.00 14.43 H new ATOM 0 HA GLU A 25 9.282 6.402 4.234 1.00 71.14 H new ATOM 0 HB2 GLU A 25 12.042 7.607 4.364 1.00 60.01 H new ATOM 0 HB3 GLU A 25 10.749 8.501 3.590 1.00 60.01 H new ATOM 0 HG2 GLU A 25 9.433 8.534 5.596 1.00 33.21 H new ATOM 0 HG3 GLU A 25 10.451 7.337 6.372 1.00 33.21 H new ATOM 392 N VAL A 26 9.084 6.388 1.804 1.00 41.53 N ATOM 393 CA VAL A 26 8.865 6.187 0.366 1.00 31.52 C ATOM 394 C VAL A 26 7.825 7.166 -0.197 1.00 74.30 C ATOM 395 O VAL A 26 7.057 7.768 0.551 1.00 74.53 O ATOM 396 CB VAL A 26 8.383 4.741 0.064 1.00 14.43 C ATOM 397 CG1 VAL A 26 9.427 3.703 0.481 1.00 43.14 C ATOM 398 CG2 VAL A 26 7.040 4.469 0.742 1.00 23.24 C ATOM 0 H VAL A 26 8.234 6.597 2.328 1.00 41.53 H new ATOM 0 HA VAL A 26 9.827 6.366 -0.114 1.00 31.52 H new ATOM 0 HB VAL A 26 8.248 4.653 -1.014 1.00 14.43 H new ATOM 0 HG11 VAL A 26 9.056 2.703 0.255 1.00 43.14 H new ATOM 0 HG12 VAL A 26 10.353 3.879 -0.066 1.00 43.14 H new ATOM 0 HG13 VAL A 26 9.616 3.787 1.551 1.00 43.14 H new ATOM 0 HG21 VAL A 26 6.719 3.452 0.519 1.00 23.24 H new ATOM 0 HG22 VAL A 26 7.146 4.588 1.820 1.00 23.24 H new ATOM 0 HG23 VAL A 26 6.296 5.174 0.371 1.00 23.24 H new ATOM 408 N GLU A 27 7.795 7.320 -1.517 1.00 61.43 N ATOM 409 CA GLU A 27 6.746 8.107 -2.172 1.00 53.44 C ATOM 410 C GLU A 27 5.654 7.190 -2.735 1.00 61.21 C ATOM 411 O GLU A 27 5.912 6.358 -3.608 1.00 63.45 O ATOM 412 CB GLU A 27 7.336 8.984 -3.282 1.00 64.11 C ATOM 413 CG GLU A 27 6.295 9.834 -4.012 1.00 44.25 C ATOM 414 CD GLU A 27 6.907 10.929 -4.875 1.00 62.42 C ATOM 415 OE1 GLU A 27 8.108 10.840 -5.207 1.00 31.24 O ATOM 416 OE2 GLU A 27 6.189 11.896 -5.209 1.00 64.11 O ATOM 0 H GLU A 27 8.480 6.914 -2.155 1.00 61.43 H new ATOM 0 HA GLU A 27 6.296 8.760 -1.424 1.00 53.44 H new ATOM 0 HB2 GLU A 27 8.091 9.641 -2.851 1.00 64.11 H new ATOM 0 HB3 GLU A 27 7.844 8.346 -4.006 1.00 64.11 H new ATOM 0 HG2 GLU A 27 5.683 9.186 -4.640 1.00 44.25 H new ATOM 0 HG3 GLU A 27 5.629 10.289 -3.279 1.00 44.25 H new ATOM 423 N VAL A 28 4.437 7.346 -2.224 1.00 52.15 N ATOM 424 CA VAL A 28 3.312 6.483 -2.588 1.00 30.11 C ATOM 425 C VAL A 28 2.520 7.052 -3.775 1.00 64.02 C ATOM 426 O VAL A 28 1.909 8.119 -3.681 1.00 72.52 O ATOM 427 CB VAL A 28 2.348 6.297 -1.390 1.00 15.14 C ATOM 428 CG1 VAL A 28 1.258 5.281 -1.724 1.00 61.21 C ATOM 429 CG2 VAL A 28 3.117 5.892 -0.132 1.00 43.22 C ATOM 0 H VAL A 28 4.200 8.072 -1.547 1.00 52.15 H new ATOM 0 HA VAL A 28 3.735 5.520 -2.874 1.00 30.11 H new ATOM 0 HB VAL A 28 1.863 7.252 -1.190 1.00 15.14 H new ATOM 0 HG11 VAL A 28 0.593 5.166 -0.868 1.00 61.21 H new ATOM 0 HG12 VAL A 28 0.686 5.630 -2.584 1.00 61.21 H new ATOM 0 HG13 VAL A 28 1.716 4.320 -1.959 1.00 61.21 H new ATOM 0 HG21 VAL A 28 2.420 5.767 0.696 1.00 43.22 H new ATOM 0 HG22 VAL A 28 3.639 4.952 -0.312 1.00 43.22 H new ATOM 0 HG23 VAL A 28 3.841 6.668 0.117 1.00 43.22 H new ATOM 439 N ILE A 29 2.527 6.336 -4.889 1.00 50.03 N ATOM 440 CA ILE A 29 1.781 6.758 -6.073 1.00 73.24 C ATOM 441 C ILE A 29 0.486 5.963 -6.210 1.00 72.40 C ATOM 442 O ILE A 29 0.353 4.875 -5.652 1.00 74.11 O ATOM 443 CB ILE A 29 2.606 6.569 -7.369 1.00 31.25 C ATOM 444 CG1 ILE A 29 4.095 6.762 -7.077 1.00 4.20 C ATOM 445 CG2 ILE A 29 2.137 7.554 -8.440 1.00 21.54 C ATOM 446 CD1 ILE A 29 4.977 6.662 -8.298 1.00 44.03 C ATOM 0 H ILE A 29 3.039 5.461 -5.002 1.00 50.03 H new ATOM 0 HA ILE A 29 1.560 7.817 -5.940 1.00 73.24 H new ATOM 0 HB ILE A 29 2.454 5.556 -7.741 1.00 31.25 H new ATOM 0 HG12 ILE A 29 4.241 7.738 -6.615 1.00 4.20 H new ATOM 0 HG13 ILE A 29 4.412 6.015 -6.350 1.00 4.20 H new ATOM 0 HG21 ILE A 29 2.724 7.412 -9.347 1.00 21.54 H new ATOM 0 HG22 ILE A 29 1.084 7.379 -8.659 1.00 21.54 H new ATOM 0 HG23 ILE A 29 2.268 8.574 -8.079 1.00 21.54 H new ATOM 0 HD11 ILE A 29 6.017 6.810 -8.008 1.00 44.03 H new ATOM 0 HD12 ILE A 29 4.863 5.677 -8.750 1.00 44.03 H new ATOM 0 HD13 ILE A 29 4.689 7.427 -9.019 1.00 44.03 H new ATOM 458 N SER A 30 -0.464 6.500 -6.957 1.00 71.44 N ATOM 459 CA SER A 30 -1.702 5.779 -7.232 1.00 0.22 C ATOM 460 C SER A 30 -2.290 6.170 -8.580 1.00 65.22 C ATOM 461 O SER A 30 -2.387 7.355 -8.905 1.00 55.02 O ATOM 462 CB SER A 30 -2.735 6.022 -6.133 1.00 21.20 C ATOM 463 OG SER A 30 -3.910 5.260 -6.359 1.00 44.05 O ATOM 0 H SER A 30 -0.406 7.425 -7.382 1.00 71.44 H new ATOM 0 HA SER A 30 -1.453 4.718 -7.258 1.00 0.22 H new ATOM 0 HB2 SER A 30 -2.309 5.760 -5.165 1.00 21.20 H new ATOM 0 HB3 SER A 30 -2.987 7.082 -6.094 1.00 21.20 H new ATOM 0 HG SER A 30 -3.673 4.314 -6.452 1.00 44.05 H new ATOM 469 N GLY A 31 -2.664 5.173 -9.374 1.00 22.21 N ATOM 470 CA GLY A 31 -3.321 5.464 -10.643 1.00 42.44 C ATOM 471 C GLY A 31 -3.261 4.340 -11.669 1.00 32.33 C ATOM 472 O GLY A 31 -4.126 3.461 -11.680 1.00 33.00 O ATOM 0 H GLY A 31 -2.529 4.183 -9.170 1.00 22.21 H new ATOM 0 HA2 GLY A 31 -4.367 5.703 -10.448 1.00 42.44 H new ATOM 0 HA3 GLY A 31 -2.866 6.355 -11.075 1.00 42.44 H new ATOM 711 N GLU A 47 -13.170 -8.511 -9.173 1.00 72.11 N ATOM 712 CA GLU A 47 -12.159 -7.724 -9.894 1.00 23.01 C ATOM 713 C GLU A 47 -11.607 -6.589 -9.021 1.00 52.42 C ATOM 714 O GLU A 47 -10.399 -6.356 -8.985 1.00 30.12 O ATOM 715 CB GLU A 47 -12.746 -7.125 -11.180 1.00 62.34 C ATOM 716 CG GLU A 47 -13.162 -8.154 -12.225 1.00 14.11 C ATOM 717 CD GLU A 47 -13.634 -7.505 -13.519 1.00 2.12 C ATOM 718 OE1 GLU A 47 -12.777 -7.151 -14.359 1.00 71.32 O ATOM 719 OE2 GLU A 47 -14.859 -7.341 -13.701 1.00 41.10 O ATOM 0 HA GLU A 47 -11.346 -8.404 -10.148 1.00 23.01 H new ATOM 0 HB2 GLU A 47 -13.614 -6.519 -10.920 1.00 62.34 H new ATOM 0 HB3 GLU A 47 -12.009 -6.454 -11.622 1.00 62.34 H new ATOM 0 HG2 GLU A 47 -12.320 -8.813 -12.438 1.00 14.11 H new ATOM 0 HG3 GLU A 47 -13.960 -8.777 -11.821 1.00 14.11 H new ATOM 726 N TYR A 48 -12.501 -5.899 -8.310 1.00 34.04 N ATOM 727 CA TYR A 48 -12.117 -4.776 -7.443 1.00 33.20 C ATOM 728 C TYR A 48 -11.142 -5.246 -6.342 1.00 43.34 C ATOM 729 O TYR A 48 -10.253 -4.504 -5.914 1.00 21.11 O ATOM 730 CB TYR A 48 -13.379 -4.147 -6.815 1.00 24.53 C ATOM 731 CG TYR A 48 -13.307 -2.636 -6.650 1.00 62.24 C ATOM 732 CD1 TYR A 48 -12.571 -2.057 -5.623 1.00 53.04 C ATOM 733 CD2 TYR A 48 -13.974 -1.788 -7.533 1.00 72.12 C ATOM 734 CE1 TYR A 48 -12.498 -0.684 -5.483 1.00 2.22 C ATOM 735 CE2 TYR A 48 -13.907 -0.417 -7.396 1.00 40.23 C ATOM 736 CZ TYR A 48 -13.166 0.130 -6.375 1.00 0.40 C ATOM 737 OH TYR A 48 -13.100 1.498 -6.241 1.00 70.31 O ATOM 0 H TYR A 48 -13.502 -6.097 -8.316 1.00 34.04 H new ATOM 0 HA TYR A 48 -11.608 -4.024 -8.046 1.00 33.20 H new ATOM 0 HB2 TYR A 48 -14.241 -4.393 -7.435 1.00 24.53 H new ATOM 0 HB3 TYR A 48 -13.550 -4.600 -5.838 1.00 24.53 H new ATOM 0 HD1 TYR A 48 -12.047 -2.691 -4.923 1.00 53.04 H new ATOM 0 HD2 TYR A 48 -14.554 -2.212 -8.339 1.00 72.12 H new ATOM 0 HE1 TYR A 48 -11.921 -0.250 -4.680 1.00 2.22 H new ATOM 0 HE2 TYR A 48 -14.434 0.224 -8.087 1.00 40.23 H new ATOM 0 HH TYR A 48 -13.625 1.922 -6.951 1.00 70.31 H new ATOM 747 N PHE A 49 -11.307 -6.496 -5.913 1.00 61.30 N ATOM 748 CA PHE A 49 -10.452 -7.091 -4.879 1.00 50.21 C ATOM 749 C PHE A 49 -9.089 -7.529 -5.454 1.00 1.32 C ATOM 750 O PHE A 49 -8.082 -7.545 -4.747 1.00 61.41 O ATOM 751 CB PHE A 49 -11.173 -8.286 -4.236 1.00 24.42 C ATOM 752 CG PHE A 49 -10.418 -8.915 -3.091 1.00 34.52 C ATOM 753 CD1 PHE A 49 -10.403 -8.313 -1.840 1.00 61.44 C ATOM 754 CD2 PHE A 49 -9.732 -10.110 -3.263 1.00 53.51 C ATOM 755 CE1 PHE A 49 -9.719 -8.889 -0.787 1.00 64.32 C ATOM 756 CE2 PHE A 49 -9.045 -10.688 -2.213 1.00 72.13 C ATOM 757 CZ PHE A 49 -9.039 -10.078 -0.973 1.00 34.30 C ATOM 0 H PHE A 49 -12.030 -7.123 -6.267 1.00 61.30 H new ATOM 0 HA PHE A 49 -10.258 -6.334 -4.119 1.00 50.21 H new ATOM 0 HB2 PHE A 49 -12.149 -7.958 -3.878 1.00 24.42 H new ATOM 0 HB3 PHE A 49 -11.351 -9.043 -5.000 1.00 24.42 H new ATOM 0 HD1 PHE A 49 -10.932 -7.384 -1.688 1.00 61.44 H new ATOM 0 HD2 PHE A 49 -9.736 -10.593 -4.229 1.00 53.51 H new ATOM 0 HE1 PHE A 49 -9.716 -8.410 0.181 1.00 64.32 H new ATOM 0 HE2 PHE A 49 -8.513 -11.616 -2.361 1.00 72.13 H new ATOM 0 HZ PHE A 49 -8.504 -10.529 -0.151 1.00 34.30 H new ATOM 767 N ASN A 50 -9.057 -7.881 -6.738 1.00 42.11 N ATOM 768 CA ASN A 50 -7.807 -8.309 -7.392 1.00 12.01 C ATOM 769 C ASN A 50 -7.152 -7.169 -8.197 1.00 70.43 C ATOM 770 O ASN A 50 -6.099 -7.356 -8.809 1.00 50.33 O ATOM 771 CB ASN A 50 -8.066 -9.510 -8.307 1.00 72.02 C ATOM 772 CG ASN A 50 -8.581 -10.716 -7.546 1.00 3.32 C ATOM 773 OD1 ASN A 50 -7.813 -11.535 -7.051 1.00 72.13 O ATOM 774 ND2 ASN A 50 -9.884 -10.837 -7.449 1.00 64.53 N ATOM 0 H ASN A 50 -9.874 -7.881 -7.349 1.00 42.11 H new ATOM 0 HA ASN A 50 -7.114 -8.597 -6.601 1.00 12.01 H new ATOM 0 HB2 ASN A 50 -8.790 -9.231 -9.073 1.00 72.02 H new ATOM 0 HB3 ASN A 50 -7.143 -9.776 -8.823 1.00 72.02 H new ATOM 0 HD21 ASN A 50 -10.287 -11.630 -6.950 1.00 64.53 H new ATOM 0 HD22 ASN A 50 -10.494 -10.138 -7.872 1.00 64.53 H new ATOM 781 N ALA A 51 -7.779 -5.993 -8.193 1.00 42.12 N ATOM 782 CA ALA A 51 -7.272 -4.842 -8.951 1.00 73.52 C ATOM 783 C ALA A 51 -6.422 -3.880 -8.101 1.00 23.32 C ATOM 784 O ALA A 51 -5.365 -3.430 -8.542 1.00 61.40 O ATOM 785 CB ALA A 51 -8.435 -4.083 -9.578 1.00 14.23 C ATOM 0 H ALA A 51 -8.638 -5.809 -7.675 1.00 42.12 H new ATOM 0 HA ALA A 51 -6.616 -5.242 -9.725 1.00 73.52 H new ATOM 0 HB1 ALA A 51 -8.053 -3.230 -10.139 1.00 14.23 H new ATOM 0 HB2 ALA A 51 -8.981 -4.745 -10.251 1.00 14.23 H new ATOM 0 HB3 ALA A 51 -9.105 -3.730 -8.793 1.00 14.23 H new ATOM 791 N VAL A 52 -6.884 -3.561 -6.887 1.00 15.43 N ATOM 792 CA VAL A 52 -6.293 -2.455 -6.102 1.00 5.51 C ATOM 793 C VAL A 52 -5.865 -2.846 -4.670 1.00 53.33 C ATOM 794 O VAL A 52 -5.657 -1.970 -3.832 1.00 65.22 O ATOM 795 CB VAL A 52 -7.296 -1.273 -6.003 1.00 4.34 C ATOM 796 CG1 VAL A 52 -7.633 -0.726 -7.390 1.00 62.25 C ATOM 797 CG2 VAL A 52 -8.566 -1.699 -5.262 1.00 13.11 C ATOM 0 H VAL A 52 -7.656 -4.042 -6.425 1.00 15.43 H new ATOM 0 HA VAL A 52 -5.390 -2.173 -6.643 1.00 5.51 H new ATOM 0 HB VAL A 52 -6.822 -0.474 -5.432 1.00 4.34 H new ATOM 0 HG11 VAL A 52 -8.337 0.101 -7.294 1.00 62.25 H new ATOM 0 HG12 VAL A 52 -6.722 -0.373 -7.873 1.00 62.25 H new ATOM 0 HG13 VAL A 52 -8.081 -1.516 -7.994 1.00 62.25 H new ATOM 0 HG21 VAL A 52 -9.254 -0.856 -5.205 1.00 13.11 H new ATOM 0 HG22 VAL A 52 -9.042 -2.520 -5.798 1.00 13.11 H new ATOM 0 HG23 VAL A 52 -8.307 -2.025 -4.255 1.00 13.11 H new ATOM 807 N ASN A 53 -5.710 -4.139 -4.383 1.00 3.00 N ATOM 808 CA ASN A 53 -5.385 -4.585 -3.009 1.00 3.30 C ATOM 809 C ASN A 53 -3.890 -4.921 -2.846 1.00 14.45 C ATOM 810 O ASN A 53 -3.500 -5.586 -1.886 1.00 74.41 O ATOM 811 CB ASN A 53 -6.232 -5.810 -2.617 1.00 51.11 C ATOM 812 CG ASN A 53 -7.730 -5.537 -2.592 1.00 24.30 C ATOM 813 OD1 ASN A 53 -8.219 -4.705 -3.493 1.00 42.25 O flip ATOM 814 ND2 ASN A 53 -8.453 -6.087 -1.777 1.00 51.35 N flip ATOM 0 H ASN A 53 -5.800 -4.892 -5.065 1.00 3.00 H new ATOM 0 HA ASN A 53 -5.620 -3.753 -2.346 1.00 3.30 H new ATOM 0 HB2 ASN A 53 -6.031 -6.619 -3.319 1.00 51.11 H new ATOM 0 HB3 ASN A 53 -5.919 -6.157 -1.632 1.00 51.11 H new ATOM 0 HD21 ASN A 53 -8.053 -6.726 -1.090 1.00 51.35 H new ATOM 0 HD22 ASN A 53 -9.457 -5.908 -1.783 1.00 51.35 H new ATOM 821 N TYR A 54 -3.050 -4.444 -3.761 1.00 35.42 N ATOM 822 CA TYR A 54 -1.610 -4.737 -3.721 1.00 41.34 C ATOM 823 C TYR A 54 -0.773 -3.490 -4.037 1.00 10.51 C ATOM 824 O TYR A 54 -1.262 -2.541 -4.652 1.00 25.25 O ATOM 825 CB TYR A 54 -1.266 -5.869 -4.707 1.00 53.13 C ATOM 826 CG TYR A 54 -1.706 -5.594 -6.135 1.00 21.10 C ATOM 827 CD1 TYR A 54 -2.996 -5.892 -6.546 1.00 52.10 C ATOM 828 CD2 TYR A 54 -0.840 -5.025 -7.064 1.00 11.13 C ATOM 829 CE1 TYR A 54 -3.416 -5.638 -7.835 1.00 34.15 C ATOM 830 CE2 TYR A 54 -1.255 -4.760 -8.357 1.00 21.03 C ATOM 831 CZ TYR A 54 -2.544 -5.070 -8.736 1.00 5.22 C ATOM 832 OH TYR A 54 -2.973 -4.800 -10.016 1.00 22.34 O ATOM 0 H TYR A 54 -3.336 -3.853 -4.541 1.00 35.42 H new ATOM 0 HA TYR A 54 -1.366 -5.058 -2.708 1.00 41.34 H new ATOM 0 HB2 TYR A 54 -0.189 -6.034 -4.694 1.00 53.13 H new ATOM 0 HB3 TYR A 54 -1.734 -6.792 -4.364 1.00 53.13 H new ATOM 0 HD1 TYR A 54 -3.687 -6.332 -5.842 1.00 52.10 H new ATOM 0 HD2 TYR A 54 0.172 -4.787 -6.771 1.00 11.13 H new ATOM 0 HE1 TYR A 54 -4.424 -5.883 -8.136 1.00 34.15 H new ATOM 0 HE2 TYR A 54 -0.573 -4.313 -9.065 1.00 21.03 H new ATOM 0 HH TYR A 54 -3.812 -4.295 -9.980 1.00 22.34 H new ATOM 842 N ALA A 55 0.492 -3.507 -3.622 1.00 20.45 N ATOM 843 CA ALA A 55 1.409 -2.386 -3.867 1.00 3.45 C ATOM 844 C ALA A 55 2.736 -2.862 -4.483 1.00 43.35 C ATOM 845 O ALA A 55 3.286 -3.885 -4.073 1.00 30.32 O ATOM 846 CB ALA A 55 1.676 -1.633 -2.567 1.00 73.34 C ATOM 0 H ALA A 55 0.910 -4.285 -3.113 1.00 20.45 H new ATOM 0 HA ALA A 55 0.931 -1.716 -4.582 1.00 3.45 H new ATOM 0 HB1 ALA A 55 2.357 -0.804 -2.760 1.00 73.34 H new ATOM 0 HB2 ALA A 55 0.737 -1.247 -2.171 1.00 73.34 H new ATOM 0 HB3 ALA A 55 2.125 -2.310 -1.840 1.00 73.34 H new ATOM 852 N GLU A 56 3.241 -2.113 -5.464 1.00 50.12 N ATOM 853 CA GLU A 56 4.531 -2.421 -6.094 1.00 21.21 C ATOM 854 C GLU A 56 5.683 -1.714 -5.364 1.00 53.55 C ATOM 855 O GLU A 56 5.763 -0.484 -5.337 1.00 54.52 O ATOM 856 CB GLU A 56 4.522 -2.030 -7.580 1.00 20.00 C ATOM 857 CG GLU A 56 3.510 -2.810 -8.415 1.00 10.33 C ATOM 858 CD GLU A 56 3.667 -2.569 -9.910 1.00 3.20 C ATOM 859 OE1 GLU A 56 3.043 -1.627 -10.441 1.00 34.21 O ATOM 860 OE2 GLU A 56 4.413 -3.334 -10.565 1.00 3.10 O ATOM 0 H GLU A 56 2.777 -1.287 -5.842 1.00 50.12 H new ATOM 0 HA GLU A 56 4.688 -3.497 -6.021 1.00 21.21 H new ATOM 0 HB2 GLU A 56 4.305 -0.965 -7.665 1.00 20.00 H new ATOM 0 HB3 GLU A 56 5.518 -2.187 -7.994 1.00 20.00 H new ATOM 0 HG2 GLU A 56 3.620 -3.875 -8.210 1.00 10.33 H new ATOM 0 HG3 GLU A 56 2.502 -2.530 -8.110 1.00 10.33 H new ATOM 867 N ILE A 57 6.576 -2.512 -4.794 1.00 32.13 N ATOM 868 CA ILE A 57 7.642 -2.021 -3.915 1.00 4.34 C ATOM 869 C ILE A 57 9.029 -2.177 -4.559 1.00 11.33 C ATOM 870 O ILE A 57 9.272 -3.124 -5.313 1.00 11.33 O ATOM 871 CB ILE A 57 7.608 -2.808 -2.581 1.00 61.22 C ATOM 872 CG1 ILE A 57 6.195 -2.746 -1.971 1.00 43.51 C ATOM 873 CG2 ILE A 57 8.652 -2.271 -1.594 1.00 72.21 C ATOM 874 CD1 ILE A 57 5.942 -3.801 -0.922 1.00 14.22 C ATOM 0 H ILE A 57 6.586 -3.523 -4.926 1.00 32.13 H new ATOM 0 HA ILE A 57 7.470 -0.959 -3.738 1.00 4.34 H new ATOM 0 HB ILE A 57 7.857 -3.849 -2.788 1.00 61.22 H new ATOM 0 HG12 ILE A 57 6.043 -1.762 -1.528 1.00 43.51 H new ATOM 0 HG13 ILE A 57 5.459 -2.854 -2.768 1.00 43.51 H new ATOM 0 HG21 ILE A 57 8.604 -2.843 -0.667 1.00 72.21 H new ATOM 0 HG22 ILE A 57 9.647 -2.367 -2.029 1.00 72.21 H new ATOM 0 HG23 ILE A 57 8.448 -1.221 -1.384 1.00 72.21 H new ATOM 0 HD11 ILE A 57 4.928 -3.696 -0.537 1.00 14.22 H new ATOM 0 HD12 ILE A 57 6.062 -4.790 -1.364 1.00 14.22 H new ATOM 0 HD13 ILE A 57 6.654 -3.680 -0.105 1.00 14.22 H new ATOM 886 N ASN A 58 9.934 -1.246 -4.260 1.00 12.34 N ATOM 887 CA ASN A 58 11.316 -1.330 -4.737 1.00 52.50 C ATOM 888 C ASN A 58 12.054 -2.515 -4.091 1.00 61.21 C ATOM 889 O ASN A 58 11.859 -2.816 -2.914 1.00 62.52 O ATOM 890 CB ASN A 58 12.062 -0.023 -4.448 1.00 2.51 C ATOM 891 CG ASN A 58 13.508 -0.081 -4.905 1.00 21.14 C ATOM 892 OD1 ASN A 58 14.395 -0.468 -4.157 1.00 52.22 O ATOM 893 ND2 ASN A 58 13.755 0.282 -6.145 1.00 1.52 N ATOM 0 H ASN A 58 9.736 -0.424 -3.689 1.00 12.34 H new ATOM 0 HA ASN A 58 11.290 -1.491 -5.815 1.00 52.50 H new ATOM 0 HB2 ASN A 58 11.556 0.802 -4.950 1.00 2.51 H new ATOM 0 HB3 ASN A 58 12.028 0.185 -3.379 1.00 2.51 H new ATOM 0 HD21 ASN A 58 14.708 0.245 -6.507 1.00 1.52 H new ATOM 0 HD22 ASN A 58 12.994 0.600 -6.744 1.00 1.52 H new ATOM 900 N GLU A 59 12.914 -3.174 -4.867 1.00 72.14 N ATOM 901 CA GLU A 59 13.619 -4.377 -4.404 1.00 22.00 C ATOM 902 C GLU A 59 14.573 -4.094 -3.222 1.00 61.23 C ATOM 903 O GLU A 59 14.700 -4.916 -2.314 1.00 62.41 O ATOM 904 CB GLU A 59 14.375 -5.029 -5.571 1.00 54.23 C ATOM 905 CG GLU A 59 15.108 -6.315 -5.195 1.00 60.31 C ATOM 906 CD GLU A 59 15.401 -7.201 -6.399 1.00 44.14 C ATOM 907 OE1 GLU A 59 16.087 -6.737 -7.334 1.00 55.41 O ATOM 908 OE2 GLU A 59 14.940 -8.365 -6.421 1.00 13.10 O ATOM 0 H GLU A 59 13.142 -2.897 -5.822 1.00 72.14 H new ATOM 0 HA GLU A 59 12.864 -5.069 -4.032 1.00 22.00 H new ATOM 0 HB2 GLU A 59 13.668 -5.247 -6.372 1.00 54.23 H new ATOM 0 HB3 GLU A 59 15.096 -4.314 -5.968 1.00 54.23 H new ATOM 0 HG2 GLU A 59 16.045 -6.062 -4.699 1.00 60.31 H new ATOM 0 HG3 GLU A 59 14.508 -6.873 -4.476 1.00 60.31 H new ATOM 915 N GLU A 60 15.228 -2.933 -3.222 1.00 11.23 N ATOM 916 CA GLU A 60 16.111 -2.552 -2.108 1.00 14.21 C ATOM 917 C GLU A 60 15.323 -2.450 -0.794 1.00 21.22 C ATOM 918 O GLU A 60 15.722 -3.000 0.237 1.00 15.44 O ATOM 919 CB GLU A 60 16.800 -1.210 -2.396 1.00 1.44 C ATOM 920 CG GLU A 60 17.695 -1.214 -3.630 1.00 44.52 C ATOM 921 CD GLU A 60 18.368 0.130 -3.871 1.00 22.33 C ATOM 922 OE1 GLU A 60 19.287 0.485 -3.100 1.00 50.54 O ATOM 923 OE2 GLU A 60 17.986 0.834 -4.829 1.00 10.15 O ATOM 0 H GLU A 60 15.168 -2.243 -3.971 1.00 11.23 H new ATOM 0 HA GLU A 60 16.869 -3.329 -2.007 1.00 14.21 H new ATOM 0 HB2 GLU A 60 16.036 -0.442 -2.519 1.00 1.44 H new ATOM 0 HB3 GLU A 60 17.398 -0.929 -1.529 1.00 1.44 H new ATOM 0 HG2 GLU A 60 18.459 -1.983 -3.517 1.00 44.52 H new ATOM 0 HG3 GLU A 60 17.101 -1.480 -4.504 1.00 44.52 H new ATOM 930 N ASP A 61 14.203 -1.732 -0.844 1.00 33.30 N ATOM 931 CA ASP A 61 13.317 -1.587 0.312 1.00 54.32 C ATOM 932 C ASP A 61 12.661 -2.928 0.677 1.00 11.32 C ATOM 933 O ASP A 61 12.417 -3.219 1.852 1.00 11.22 O ATOM 934 CB ASP A 61 12.258 -0.522 0.021 1.00 54.24 C ATOM 935 CG ASP A 61 12.892 0.826 -0.280 1.00 54.41 C ATOM 936 OD1 ASP A 61 13.477 1.427 0.646 1.00 44.43 O ATOM 937 OD2 ASP A 61 12.844 1.273 -1.442 1.00 75.23 O ATOM 0 H ASP A 61 13.885 -1.238 -1.678 1.00 33.30 H new ATOM 0 HA ASP A 61 13.910 -1.269 1.169 1.00 54.32 H new ATOM 0 HB2 ASP A 61 11.648 -0.836 -0.826 1.00 54.24 H new ATOM 0 HB3 ASP A 61 11.590 -0.428 0.877 1.00 54.24 H new ATOM 942 N TRP A 62 12.394 -3.736 -0.344 1.00 75.31 N ATOM 943 CA TRP A 62 11.862 -5.090 -0.168 1.00 3.00 C ATOM 944 C TRP A 62 12.790 -5.934 0.724 1.00 75.54 C ATOM 945 O TRP A 62 12.360 -6.508 1.729 1.00 23.52 O ATOM 946 CB TRP A 62 11.704 -5.752 -1.545 1.00 14.22 C ATOM 947 CG TRP A 62 11.062 -7.105 -1.507 1.00 14.22 C ATOM 948 CD1 TRP A 62 11.676 -8.306 -1.293 1.00 12.41 C ATOM 949 CD2 TRP A 62 9.675 -7.391 -1.708 1.00 52.34 C ATOM 950 NE1 TRP A 62 10.750 -9.318 -1.332 1.00 1.42 N ATOM 951 CE2 TRP A 62 9.516 -8.781 -1.586 1.00 55.10 C ATOM 952 CE3 TRP A 62 8.553 -6.602 -1.968 1.00 64.40 C ATOM 953 CZ2 TRP A 62 8.280 -9.400 -1.723 1.00 62.24 C ATOM 954 CZ3 TRP A 62 7.326 -7.218 -2.103 1.00 35.24 C ATOM 955 CH2 TRP A 62 7.198 -8.605 -1.979 1.00 4.11 C ATOM 0 H TRP A 62 12.539 -3.474 -1.319 1.00 75.31 H new ATOM 0 HA TRP A 62 10.891 -5.028 0.324 1.00 3.00 H new ATOM 0 HB2 TRP A 62 11.110 -5.098 -2.184 1.00 14.22 H new ATOM 0 HB3 TRP A 62 12.687 -5.842 -2.007 1.00 14.22 H new ATOM 0 HD1 TRP A 62 12.733 -8.439 -1.119 1.00 12.41 H new ATOM 0 HE1 TRP A 62 10.948 -10.309 -1.194 1.00 1.42 H new ATOM 0 HE3 TRP A 62 8.644 -5.530 -2.062 1.00 64.40 H new ATOM 0 HZ2 TRP A 62 8.178 -10.471 -1.631 1.00 62.24 H new ATOM 0 HZ3 TRP A 62 6.451 -6.620 -2.308 1.00 35.24 H new ATOM 0 HH2 TRP A 62 6.223 -9.058 -2.088 1.00 4.11 H new ATOM 966 N ASN A 63 14.067 -5.993 0.347 1.00 41.40 N ATOM 967 CA ASN A 63 15.069 -6.758 1.100 1.00 21.14 C ATOM 968 C ASN A 63 15.302 -6.161 2.497 1.00 43.03 C ATOM 969 O ASN A 63 15.499 -6.892 3.468 1.00 34.11 O ATOM 970 CB ASN A 63 16.397 -6.799 0.330 1.00 60.21 C ATOM 971 CG ASN A 63 16.250 -7.373 -1.069 1.00 54.45 C ATOM 972 OD1 ASN A 63 15.385 -8.202 -1.329 1.00 43.12 O ATOM 973 ND2 ASN A 63 17.100 -6.941 -1.984 1.00 43.52 N ATOM 0 H ASN A 63 14.436 -5.520 -0.478 1.00 41.40 H new ATOM 0 HA ASN A 63 14.686 -7.771 1.221 1.00 21.14 H new ATOM 0 HB2 ASN A 63 16.804 -5.790 0.263 1.00 60.21 H new ATOM 0 HB3 ASN A 63 17.117 -7.396 0.889 1.00 60.21 H new ATOM 0 HD21 ASN A 63 17.047 -7.298 -2.938 1.00 43.52 H new ATOM 0 HD22 ASN A 63 17.809 -6.250 -1.736 1.00 43.52 H new ATOM 980 N ALA A 64 15.272 -4.829 2.585 1.00 61.33 N ATOM 981 CA ALA A 64 15.498 -4.121 3.855 1.00 71.35 C ATOM 982 C ALA A 64 14.470 -4.520 4.922 1.00 45.14 C ATOM 983 O ALA A 64 14.827 -4.848 6.055 1.00 74.14 O ATOM 984 CB ALA A 64 15.465 -2.614 3.627 1.00 33.25 C ATOM 0 H ALA A 64 15.093 -4.214 1.791 1.00 61.33 H new ATOM 0 HA ALA A 64 16.482 -4.409 4.224 1.00 71.35 H new ATOM 0 HB1 ALA A 64 15.633 -2.099 4.573 1.00 33.25 H new ATOM 0 HB2 ALA A 64 16.245 -2.336 2.919 1.00 33.25 H new ATOM 0 HB3 ALA A 64 14.493 -2.328 3.226 1.00 33.25 H new ATOM 990 N LEU A 65 13.193 -4.493 4.550 1.00 1.45 N ATOM 991 CA LEU A 65 12.109 -4.876 5.463 1.00 44.14 C ATOM 992 C LEU A 65 11.983 -6.406 5.589 1.00 3.15 C ATOM 993 O LEU A 65 11.179 -6.907 6.377 1.00 4.32 O ATOM 994 CB LEU A 65 10.777 -4.282 4.975 1.00 13.20 C ATOM 995 CG LEU A 65 10.715 -2.746 4.935 1.00 55.21 C ATOM 996 CD1 LEU A 65 9.409 -2.271 4.303 1.00 54.41 C ATOM 997 CD2 LEU A 65 10.882 -2.162 6.335 1.00 32.22 C ATOM 0 H LEU A 65 12.879 -4.210 3.622 1.00 1.45 H new ATOM 0 HA LEU A 65 12.350 -4.478 6.449 1.00 44.14 H new ATOM 0 HB2 LEU A 65 10.574 -4.663 3.974 1.00 13.20 H new ATOM 0 HB3 LEU A 65 9.978 -4.644 5.622 1.00 13.20 H new ATOM 0 HG LEU A 65 11.539 -2.390 4.317 1.00 55.21 H new ATOM 0 HD11 LEU A 65 9.388 -1.181 4.286 1.00 54.41 H new ATOM 0 HD12 LEU A 65 9.338 -2.651 3.284 1.00 54.41 H new ATOM 0 HD13 LEU A 65 8.566 -2.641 4.887 1.00 54.41 H new ATOM 0 HD21 LEU A 65 10.835 -1.074 6.283 1.00 32.22 H new ATOM 0 HD22 LEU A 65 10.084 -2.530 6.980 1.00 32.22 H new ATOM 0 HD23 LEU A 65 11.847 -2.465 6.743 1.00 32.22 H new ATOM 1009 N GLY A 66 12.779 -7.139 4.810 1.00 24.40 N ATOM 1010 CA GLY A 66 12.708 -8.596 4.813 1.00 3.32 C ATOM 1011 C GLY A 66 11.362 -9.123 4.320 1.00 43.31 C ATOM 1012 O GLY A 66 10.767 -10.014 4.930 1.00 54.25 O ATOM 0 H GLY A 66 13.475 -6.749 4.174 1.00 24.40 H new ATOM 0 HA2 GLY A 66 13.503 -8.995 4.183 1.00 3.32 H new ATOM 0 HA3 GLY A 66 12.888 -8.962 5.824 1.00 3.32 H new ATOM 1016 N LEU A 67 10.878 -8.562 3.215 1.00 24.21 N ATOM 1017 CA LEU A 67 9.575 -8.938 2.660 1.00 22.31 C ATOM 1018 C LEU A 67 9.661 -10.232 1.838 1.00 24.54 C ATOM 1019 O LEU A 67 10.712 -10.569 1.286 1.00 53.34 O ATOM 1020 CB LEU A 67 9.025 -7.792 1.799 1.00 24.54 C ATOM 1021 CG LEU A 67 8.828 -6.458 2.537 1.00 31.12 C ATOM 1022 CD1 LEU A 67 8.373 -5.368 1.572 1.00 72.23 C ATOM 1023 CD2 LEU A 67 7.832 -6.617 3.686 1.00 1.12 C ATOM 0 H LEU A 67 11.368 -7.843 2.683 1.00 24.21 H new ATOM 0 HA LEU A 67 8.895 -9.124 3.491 1.00 22.31 H new ATOM 0 HB2 LEU A 67 9.704 -7.629 0.962 1.00 24.54 H new ATOM 0 HB3 LEU A 67 8.068 -8.101 1.378 1.00 24.54 H new ATOM 0 HG LEU A 67 9.787 -6.158 2.959 1.00 31.12 H new ATOM 0 HD11 LEU A 67 8.240 -4.433 2.116 1.00 72.23 H new ATOM 0 HD12 LEU A 67 9.126 -5.232 0.795 1.00 72.23 H new ATOM 0 HD13 LEU A 67 7.428 -5.659 1.114 1.00 72.23 H new ATOM 0 HD21 LEU A 67 7.708 -5.661 4.195 1.00 1.12 H new ATOM 0 HD22 LEU A 67 6.871 -6.946 3.291 1.00 1.12 H new ATOM 0 HD23 LEU A 67 8.207 -7.358 4.392 1.00 1.12 H new ATOM 1035 N GLN A 68 8.547 -10.949 1.755 1.00 31.41 N ATOM 1036 CA GLN A 68 8.505 -12.226 1.041 1.00 71.04 C ATOM 1037 C GLN A 68 7.213 -12.351 0.237 1.00 10.34 C ATOM 1038 O GLN A 68 6.127 -12.450 0.806 1.00 54.31 O ATOM 1039 CB GLN A 68 8.619 -13.392 2.019 1.00 14.41 C ATOM 1040 CG GLN A 68 8.804 -14.744 1.338 1.00 13.23 C ATOM 1041 CD GLN A 68 9.010 -15.883 2.320 1.00 62.33 C ATOM 1042 OE1 GLN A 68 8.506 -15.862 3.438 1.00 73.44 O ATOM 1043 NE2 GLN A 68 9.762 -16.886 1.914 1.00 44.30 N ATOM 0 H GLN A 68 7.659 -10.671 2.172 1.00 31.41 H new ATOM 0 HA GLN A 68 9.351 -12.256 0.355 1.00 71.04 H new ATOM 0 HB2 GLN A 68 9.461 -13.213 2.688 1.00 14.41 H new ATOM 0 HB3 GLN A 68 7.722 -13.426 2.637 1.00 14.41 H new ATOM 0 HG2 GLN A 68 7.930 -14.957 0.723 1.00 13.23 H new ATOM 0 HG3 GLN A 68 9.661 -14.692 0.667 1.00 13.23 H new ATOM 0 HE21 GLN A 68 10.167 -16.874 0.978 1.00 44.30 H new ATOM 0 HE22 GLN A 68 9.939 -17.675 2.536 1.00 44.30 H new ATOM 1052 N GLU A 69 7.365 -12.391 -1.080 1.00 11.32 N ATOM 1053 CA GLU A 69 6.241 -12.319 -2.026 1.00 75.14 C ATOM 1054 C GLU A 69 5.005 -13.091 -1.547 1.00 73.25 C ATOM 1055 O GLU A 69 4.942 -14.322 -1.619 1.00 71.50 O ATOM 1056 CB GLU A 69 6.698 -12.808 -3.405 1.00 3.05 C ATOM 1057 CG GLU A 69 7.773 -11.914 -4.012 1.00 21.44 C ATOM 1058 CD GLU A 69 8.331 -12.435 -5.328 1.00 34.22 C ATOM 1059 OE1 GLU A 69 7.681 -12.238 -6.377 1.00 61.12 O ATOM 1060 OE2 GLU A 69 9.431 -13.031 -5.317 1.00 14.31 O ATOM 0 H GLU A 69 8.275 -12.475 -1.533 1.00 11.32 H new ATOM 0 HA GLU A 69 5.934 -11.275 -2.093 1.00 75.14 H new ATOM 0 HB2 GLU A 69 7.081 -13.825 -3.318 1.00 3.05 H new ATOM 0 HB3 GLU A 69 5.840 -12.847 -4.076 1.00 3.05 H new ATOM 0 HG2 GLU A 69 7.358 -10.919 -4.172 1.00 21.44 H new ATOM 0 HG3 GLU A 69 8.590 -11.807 -3.298 1.00 21.44 H new ATOM 1067 N GLY A 70 4.032 -12.337 -1.046 1.00 32.44 N ATOM 1068 CA GLY A 70 2.823 -12.923 -0.476 1.00 41.40 C ATOM 1069 C GLY A 70 2.460 -12.342 0.893 1.00 12.02 C ATOM 1070 O GLY A 70 1.315 -12.460 1.339 1.00 72.54 O ATOM 0 H GLY A 70 4.057 -11.318 -1.023 1.00 32.44 H new ATOM 0 HA2 GLY A 70 1.992 -12.765 -1.163 1.00 41.40 H new ATOM 0 HA3 GLY A 70 2.958 -14.000 -0.382 1.00 41.40 H new ATOM 1074 N ASP A 71 3.430 -11.712 1.563 1.00 43.51 N ATOM 1075 CA ASP A 71 3.197 -11.118 2.887 1.00 5.13 C ATOM 1076 C ASP A 71 2.476 -9.756 2.790 1.00 72.22 C ATOM 1077 O ASP A 71 2.158 -9.278 1.695 1.00 25.55 O ATOM 1078 CB ASP A 71 4.524 -10.989 3.658 1.00 43.24 C ATOM 1079 CG ASP A 71 5.554 -10.088 2.988 1.00 73.31 C ATOM 1080 OD1 ASP A 71 5.551 -9.974 1.749 1.00 1.31 O ATOM 1081 OD2 ASP A 71 6.395 -9.511 3.712 1.00 41.22 O ATOM 0 H ASP A 71 4.382 -11.599 1.213 1.00 43.51 H new ATOM 0 HA ASP A 71 2.537 -11.788 3.439 1.00 5.13 H new ATOM 0 HB2 ASP A 71 4.315 -10.603 4.656 1.00 43.24 H new ATOM 0 HB3 ASP A 71 4.955 -11.982 3.785 1.00 43.24 H new ATOM 1086 N ARG A 72 2.208 -9.142 3.944 1.00 64.35 N ATOM 1087 CA ARG A 72 1.446 -7.887 4.000 1.00 64.15 C ATOM 1088 C ARG A 72 2.343 -6.689 4.341 1.00 40.14 C ATOM 1089 O ARG A 72 3.161 -6.741 5.265 1.00 4.20 O ATOM 1090 CB ARG A 72 0.318 -7.966 5.044 1.00 2.11 C ATOM 1091 CG ARG A 72 -0.731 -9.050 4.790 1.00 34.31 C ATOM 1092 CD ARG A 72 -0.226 -10.445 5.148 1.00 10.10 C ATOM 1093 NE ARG A 72 -1.290 -11.442 5.096 1.00 41.52 N ATOM 1094 CZ ARG A 72 -1.767 -12.065 6.141 1.00 32.44 C ATOM 1095 NH1 ARG A 72 -1.316 -11.804 7.327 1.00 4.14 N ATOM 1096 NH2 ARG A 72 -2.701 -12.946 5.997 1.00 22.42 N ATOM 0 H ARG A 72 2.506 -9.492 4.855 1.00 64.35 H new ATOM 0 HA ARG A 72 1.020 -7.743 3.007 1.00 64.15 H new ATOM 0 HB2 ARG A 72 0.763 -8.137 6.024 1.00 2.11 H new ATOM 0 HB3 ARG A 72 -0.184 -7.000 5.086 1.00 2.11 H new ATOM 0 HG2 ARG A 72 -1.625 -8.830 5.373 1.00 34.31 H new ATOM 0 HG3 ARG A 72 -1.022 -9.031 3.740 1.00 34.31 H new ATOM 0 HD2 ARG A 72 0.571 -10.729 4.461 1.00 10.10 H new ATOM 0 HD3 ARG A 72 0.206 -10.428 6.148 1.00 10.10 H new ATOM 0 HE ARG A 72 -1.688 -11.668 4.184 1.00 41.52 H new ATOM 0 HH11 ARG A 72 -0.582 -11.107 7.451 1.00 4.14 H new ATOM 0 HH12 ARG A 72 -1.695 -12.296 8.136 1.00 4.14 H new ATOM 0 HH21 ARG A 72 -3.066 -13.155 5.068 1.00 22.42 H new ATOM 0 HH22 ARG A 72 -3.073 -13.432 6.813 1.00 22.42 H new ATOM 1110 N VAL A 73 2.166 -5.601 3.601 1.00 63.53 N ATOM 1111 CA VAL A 73 2.870 -4.347 3.877 1.00 70.44 C ATOM 1112 C VAL A 73 1.890 -3.237 4.266 1.00 54.32 C ATOM 1113 O VAL A 73 0.830 -3.074 3.653 1.00 60.52 O ATOM 1114 CB VAL A 73 3.720 -3.884 2.668 1.00 65.42 C ATOM 1115 CG1 VAL A 73 4.927 -4.798 2.484 1.00 73.15 C ATOM 1116 CG2 VAL A 73 2.874 -3.824 1.391 1.00 31.41 C ATOM 0 H VAL A 73 1.537 -5.559 2.799 1.00 63.53 H new ATOM 0 HA VAL A 73 3.540 -4.543 4.714 1.00 70.44 H new ATOM 0 HB VAL A 73 4.083 -2.876 2.871 1.00 65.42 H new ATOM 0 HG11 VAL A 73 5.514 -4.459 1.630 1.00 73.15 H new ATOM 0 HG12 VAL A 73 5.544 -4.771 3.382 1.00 73.15 H new ATOM 0 HG13 VAL A 73 4.587 -5.819 2.308 1.00 73.15 H new ATOM 0 HG21 VAL A 73 3.496 -3.496 0.558 1.00 31.41 H new ATOM 0 HG22 VAL A 73 2.470 -4.813 1.175 1.00 31.41 H new ATOM 0 HG23 VAL A 73 2.054 -3.120 1.531 1.00 31.41 H new ATOM 1126 N LYS A 74 2.246 -2.487 5.298 1.00 2.21 N ATOM 1127 CA LYS A 74 1.417 -1.384 5.769 1.00 23.32 C ATOM 1128 C LYS A 74 1.985 -0.040 5.292 1.00 23.04 C ATOM 1129 O LYS A 74 3.199 0.172 5.285 1.00 4.02 O ATOM 1130 CB LYS A 74 1.315 -1.424 7.299 1.00 3.41 C ATOM 1131 CG LYS A 74 0.129 -0.652 7.855 1.00 34.11 C ATOM 1132 CD LYS A 74 -0.042 -0.878 9.357 1.00 50.33 C ATOM 1133 CE LYS A 74 -1.360 -0.300 9.847 1.00 1.50 C ATOM 1134 NZ LYS A 74 -1.531 -0.410 11.320 1.00 21.30 N ATOM 0 H LYS A 74 3.107 -2.622 5.828 1.00 2.21 H new ATOM 0 HA LYS A 74 0.416 -1.491 5.352 1.00 23.32 H new ATOM 0 HB2 LYS A 74 1.244 -2.463 7.622 1.00 3.41 H new ATOM 0 HB3 LYS A 74 2.233 -1.019 7.726 1.00 3.41 H new ATOM 0 HG2 LYS A 74 0.265 0.412 7.661 1.00 34.11 H new ATOM 0 HG3 LYS A 74 -0.779 -0.958 7.336 1.00 34.11 H new ATOM 0 HD2 LYS A 74 -0.005 -1.945 9.574 1.00 50.33 H new ATOM 0 HD3 LYS A 74 0.785 -0.415 9.895 1.00 50.33 H new ATOM 0 HE2 LYS A 74 -1.420 0.749 9.557 1.00 1.50 H new ATOM 0 HE3 LYS A 74 -2.183 -0.815 9.352 1.00 1.50 H new ATOM 0 HZ1 LYS A 74 -2.157 0.350 11.654 1.00 21.30 H new ATOM 0 HZ2 LYS A 74 -1.951 -1.333 11.553 1.00 21.30 H new ATOM 0 HZ3 LYS A 74 -0.604 -0.324 11.784 1.00 21.30 H new ATOM 1148 N VAL A 75 1.101 0.865 4.898 1.00 24.11 N ATOM 1149 CA VAL A 75 1.505 2.149 4.324 1.00 44.44 C ATOM 1150 C VAL A 75 0.919 3.300 5.146 1.00 13.42 C ATOM 1151 O VAL A 75 -0.250 3.262 5.527 1.00 63.04 O ATOM 1152 CB VAL A 75 1.050 2.282 2.846 1.00 61.21 C ATOM 1153 CG1 VAL A 75 1.575 3.578 2.231 1.00 54.10 C ATOM 1154 CG2 VAL A 75 1.500 1.071 2.024 1.00 53.55 C ATOM 0 H VAL A 75 0.091 0.736 4.964 1.00 24.11 H new ATOM 0 HA VAL A 75 2.594 2.195 4.350 1.00 44.44 H new ATOM 0 HB VAL A 75 -0.039 2.315 2.831 1.00 61.21 H new ATOM 0 HG11 VAL A 75 1.244 3.650 1.195 1.00 54.10 H new ATOM 0 HG12 VAL A 75 1.192 4.429 2.794 1.00 54.10 H new ATOM 0 HG13 VAL A 75 2.664 3.581 2.264 1.00 54.10 H new ATOM 0 HG21 VAL A 75 1.169 1.188 0.992 1.00 53.55 H new ATOM 0 HG22 VAL A 75 2.587 0.997 2.050 1.00 53.55 H new ATOM 0 HG23 VAL A 75 1.065 0.164 2.444 1.00 53.55 H new ATOM 1164 N LYS A 76 1.733 4.316 5.416 1.00 44.41 N ATOM 1165 CA LYS A 76 1.340 5.412 6.312 1.00 22.24 C ATOM 1166 C LYS A 76 1.788 6.782 5.779 1.00 2.32 C ATOM 1167 O LYS A 76 2.965 6.988 5.471 1.00 45.32 O ATOM 1168 CB LYS A 76 1.945 5.172 7.701 1.00 51.13 C ATOM 1169 CG LYS A 76 1.311 4.007 8.460 1.00 34.23 C ATOM 1170 CD LYS A 76 2.307 3.325 9.393 1.00 22.13 C ATOM 1171 CE LYS A 76 1.608 2.527 10.488 1.00 61.01 C ATOM 1172 NZ LYS A 76 2.566 1.982 11.487 1.00 22.02 N ATOM 0 H LYS A 76 2.672 4.408 5.029 1.00 44.41 H new ATOM 0 HA LYS A 76 0.252 5.425 6.370 1.00 22.24 H new ATOM 0 HB2 LYS A 76 3.013 4.984 7.594 1.00 51.13 H new ATOM 0 HB3 LYS A 76 1.839 6.080 8.294 1.00 51.13 H new ATOM 0 HG2 LYS A 76 0.462 4.370 9.039 1.00 34.23 H new ATOM 0 HG3 LYS A 76 0.923 3.278 7.748 1.00 34.23 H new ATOM 0 HD2 LYS A 76 2.950 2.661 8.815 1.00 22.13 H new ATOM 0 HD3 LYS A 76 2.952 4.077 9.848 1.00 22.13 H new ATOM 0 HE2 LYS A 76 0.883 3.165 10.993 1.00 61.01 H new ATOM 0 HE3 LYS A 76 1.050 1.706 10.037 1.00 61.01 H new ATOM 0 HZ1 LYS A 76 2.270 1.025 11.765 1.00 22.02 H new ATOM 0 HZ2 LYS A 76 3.518 1.943 11.070 1.00 22.02 H new ATOM 0 HZ3 LYS A 76 2.581 2.597 12.325 1.00 22.02 H new ATOM 1186 N THR A 77 0.839 7.711 5.671 1.00 42.41 N ATOM 1187 CA THR A 77 1.128 9.094 5.257 1.00 1.33 C ATOM 1188 C THR A 77 0.352 10.090 6.128 1.00 72.40 C ATOM 1189 O THR A 77 -0.286 9.709 7.107 1.00 63.15 O ATOM 1190 CB THR A 77 0.744 9.356 3.778 1.00 12.13 C ATOM 1191 OG1 THR A 77 -0.686 9.347 3.639 1.00 72.13 O ATOM 1192 CG2 THR A 77 1.359 8.318 2.841 1.00 42.22 C ATOM 0 H THR A 77 -0.147 7.534 5.865 1.00 42.41 H new ATOM 0 HA THR A 77 2.203 9.231 5.376 1.00 1.33 H new ATOM 0 HB THR A 77 1.138 10.333 3.499 1.00 12.13 H new ATOM 0 HG1 THR A 77 -0.922 9.306 2.689 1.00 72.13 H new ATOM 0 HG21 THR A 77 1.066 8.536 1.814 1.00 42.22 H new ATOM 0 HG22 THR A 77 2.445 8.351 2.924 1.00 42.22 H new ATOM 0 HG23 THR A 77 1.005 7.325 3.116 1.00 42.22 H new ATOM 1200 N GLU A 78 0.397 11.370 5.757 1.00 54.20 N ATOM 1201 CA GLU A 78 -0.364 12.413 6.459 1.00 3.11 C ATOM 1202 C GLU A 78 -1.889 12.230 6.300 1.00 62.41 C ATOM 1203 O GLU A 78 -2.675 12.870 7.002 1.00 52.14 O ATOM 1204 CB GLU A 78 0.047 13.800 5.940 1.00 51.00 C ATOM 1205 CG GLU A 78 -0.140 13.977 4.435 1.00 12.14 C ATOM 1206 CD GLU A 78 0.239 15.369 3.949 1.00 30.23 C ATOM 1207 OE1 GLU A 78 1.452 15.653 3.835 1.00 44.33 O ATOM 1208 OE2 GLU A 78 -0.674 16.181 3.676 1.00 4.23 O ATOM 0 H GLU A 78 0.952 11.713 4.973 1.00 54.20 H new ATOM 0 HA GLU A 78 -0.130 12.327 7.520 1.00 3.11 H new ATOM 0 HB2 GLU A 78 -0.536 14.560 6.461 1.00 51.00 H new ATOM 0 HB3 GLU A 78 1.094 13.975 6.189 1.00 51.00 H new ATOM 0 HG2 GLU A 78 0.464 13.238 3.910 1.00 12.14 H new ATOM 0 HG3 GLU A 78 -1.181 13.779 4.178 1.00 12.14 H new ATOM 1215 N PHE A 79 -2.300 11.366 5.372 1.00 24.10 N ATOM 1216 CA PHE A 79 -3.726 11.125 5.111 1.00 11.22 C ATOM 1217 C PHE A 79 -4.282 9.963 5.956 1.00 60.42 C ATOM 1218 O PHE A 79 -5.443 9.993 6.375 1.00 22.35 O ATOM 1219 CB PHE A 79 -3.952 10.848 3.618 1.00 65.01 C ATOM 1220 CG PHE A 79 -3.667 12.042 2.737 1.00 44.21 C ATOM 1221 CD1 PHE A 79 -4.653 12.989 2.490 1.00 3.11 C ATOM 1222 CD2 PHE A 79 -2.415 12.225 2.165 1.00 34.23 C ATOM 1223 CE1 PHE A 79 -4.397 14.088 1.694 1.00 2.25 C ATOM 1224 CE2 PHE A 79 -2.155 13.325 1.369 1.00 45.22 C ATOM 1225 CZ PHE A 79 -3.146 14.256 1.133 1.00 34.31 C ATOM 0 H PHE A 79 -1.669 10.819 4.786 1.00 24.10 H new ATOM 0 HA PHE A 79 -4.267 12.026 5.399 1.00 11.22 H new ATOM 0 HB2 PHE A 79 -3.316 10.018 3.310 1.00 65.01 H new ATOM 0 HB3 PHE A 79 -4.984 10.532 3.467 1.00 65.01 H new ATOM 0 HD1 PHE A 79 -5.633 12.864 2.926 1.00 3.11 H new ATOM 0 HD2 PHE A 79 -1.635 11.500 2.344 1.00 34.23 H new ATOM 0 HE1 PHE A 79 -5.174 14.815 1.510 1.00 2.25 H new ATOM 0 HE2 PHE A 79 -1.176 13.456 0.932 1.00 45.22 H new ATOM 0 HZ PHE A 79 -2.944 15.115 0.510 1.00 34.31 H new ATOM 1235 N GLY A 80 -3.455 8.946 6.200 1.00 50.24 N ATOM 1236 CA GLY A 80 -3.884 7.793 6.990 1.00 42.44 C ATOM 1237 C GLY A 80 -2.993 6.565 6.795 1.00 72.12 C ATOM 1238 O GLY A 80 -1.844 6.681 6.360 1.00 22.21 O ATOM 0 H GLY A 80 -2.493 8.897 5.865 1.00 50.24 H new ATOM 0 HA2 GLY A 80 -3.890 8.066 8.045 1.00 42.44 H new ATOM 0 HA3 GLY A 80 -4.909 7.537 6.721 1.00 42.44 H new ATOM 1242 N GLU A 81 -3.522 5.383 7.120 1.00 23.10 N ATOM 1243 CA GLU A 81 -2.772 4.126 6.968 1.00 3.34 C ATOM 1244 C GLU A 81 -3.641 3.001 6.378 1.00 35.11 C ATOM 1245 O GLU A 81 -4.864 3.000 6.525 1.00 70.32 O ATOM 1246 CB GLU A 81 -2.181 3.675 8.315 1.00 54.15 C ATOM 1247 CG GLU A 81 -3.210 3.489 9.430 1.00 0.25 C ATOM 1248 CD GLU A 81 -2.622 2.846 10.681 1.00 21.15 C ATOM 1249 OE1 GLU A 81 -1.554 3.295 11.146 1.00 60.35 O ATOM 1250 OE2 GLU A 81 -3.225 1.881 11.205 1.00 41.22 O ATOM 0 H GLU A 81 -4.465 5.266 7.490 1.00 23.10 H new ATOM 0 HA GLU A 81 -1.961 4.326 6.268 1.00 3.34 H new ATOM 0 HB2 GLU A 81 -1.650 2.734 8.167 1.00 54.15 H new ATOM 0 HB3 GLU A 81 -1.444 4.410 8.638 1.00 54.15 H new ATOM 0 HG2 GLU A 81 -3.634 4.459 9.691 1.00 0.25 H new ATOM 0 HG3 GLU A 81 -4.029 2.872 9.062 1.00 0.25 H new ATOM 1257 N VAL A 82 -2.995 2.038 5.714 1.00 14.42 N ATOM 1258 CA VAL A 82 -3.704 0.908 5.090 1.00 45.52 C ATOM 1259 C VAL A 82 -2.799 -0.342 4.991 1.00 31.05 C ATOM 1260 O VAL A 82 -1.577 -0.224 4.877 1.00 11.20 O ATOM 1261 CB VAL A 82 -4.215 1.302 3.674 1.00 74.44 C ATOM 1262 CG1 VAL A 82 -3.048 1.540 2.715 1.00 22.21 C ATOM 1263 CG2 VAL A 82 -5.186 0.260 3.113 1.00 43.05 C ATOM 0 H VAL A 82 -1.983 2.015 5.593 1.00 14.42 H new ATOM 0 HA VAL A 82 -4.556 0.663 5.725 1.00 45.52 H new ATOM 0 HB VAL A 82 -4.765 2.238 3.775 1.00 74.44 H new ATOM 0 HG11 VAL A 82 -3.434 1.814 1.733 1.00 22.21 H new ATOM 0 HG12 VAL A 82 -2.422 2.347 3.097 1.00 22.21 H new ATOM 0 HG13 VAL A 82 -2.455 0.629 2.631 1.00 22.21 H new ATOM 0 HG21 VAL A 82 -5.521 0.570 2.123 1.00 43.05 H new ATOM 0 HG22 VAL A 82 -4.683 -0.704 3.040 1.00 43.05 H new ATOM 0 HG23 VAL A 82 -6.047 0.171 3.776 1.00 43.05 H new ATOM 1273 N VAL A 83 -3.401 -1.538 5.058 1.00 72.34 N ATOM 1274 CA VAL A 83 -2.649 -2.802 4.906 1.00 15.32 C ATOM 1275 C VAL A 83 -3.007 -3.497 3.581 1.00 11.25 C ATOM 1276 O VAL A 83 -4.171 -3.848 3.354 1.00 10.53 O ATOM 1277 CB VAL A 83 -2.929 -3.802 6.065 1.00 71.40 C ATOM 1278 CG1 VAL A 83 -2.030 -5.035 5.947 1.00 13.02 C ATOM 1279 CG2 VAL A 83 -2.755 -3.142 7.431 1.00 62.23 C ATOM 0 H VAL A 83 -4.401 -1.662 5.215 1.00 72.34 H new ATOM 0 HA VAL A 83 -1.594 -2.528 4.922 1.00 15.32 H new ATOM 0 HB VAL A 83 -3.968 -4.119 5.979 1.00 71.40 H new ATOM 0 HG11 VAL A 83 -2.243 -5.720 6.767 1.00 13.02 H new ATOM 0 HG12 VAL A 83 -2.221 -5.535 4.998 1.00 13.02 H new ATOM 0 HG13 VAL A 83 -0.985 -4.729 5.992 1.00 13.02 H new ATOM 0 HG21 VAL A 83 -2.959 -3.871 8.216 1.00 62.23 H new ATOM 0 HG22 VAL A 83 -1.733 -2.777 7.531 1.00 62.23 H new ATOM 0 HG23 VAL A 83 -3.449 -2.307 7.523 1.00 62.23 H new ATOM 1289 N VAL A 84 -2.006 -3.703 2.719 1.00 72.04 N ATOM 1290 CA VAL A 84 -2.217 -4.324 1.400 1.00 42.22 C ATOM 1291 C VAL A 84 -1.224 -5.475 1.139 1.00 42.52 C ATOM 1292 O VAL A 84 -0.302 -5.710 1.926 1.00 0.31 O ATOM 1293 CB VAL A 84 -2.086 -3.281 0.257 1.00 52.11 C ATOM 1294 CG1 VAL A 84 -3.143 -2.185 0.389 1.00 21.50 C ATOM 1295 CG2 VAL A 84 -0.681 -2.677 0.230 1.00 44.03 C ATOM 0 H VAL A 84 -1.037 -3.449 2.909 1.00 72.04 H new ATOM 0 HA VAL A 84 -3.230 -4.727 1.411 1.00 42.22 H new ATOM 0 HB VAL A 84 -2.253 -3.798 -0.688 1.00 52.11 H new ATOM 0 HG11 VAL A 84 -3.028 -1.469 -0.424 1.00 21.50 H new ATOM 0 HG12 VAL A 84 -4.137 -2.630 0.342 1.00 21.50 H new ATOM 0 HG13 VAL A 84 -3.019 -1.673 1.343 1.00 21.50 H new ATOM 0 HG21 VAL A 84 -0.613 -1.949 -0.579 1.00 44.03 H new ATOM 0 HG22 VAL A 84 -0.479 -2.183 1.180 1.00 44.03 H new ATOM 0 HG23 VAL A 84 0.052 -3.468 0.069 1.00 44.03 H new ATOM 1305 N PHE A 85 -1.424 -6.194 0.030 1.00 64.42 N ATOM 1306 CA PHE A 85 -0.522 -7.286 -0.363 1.00 3.20 C ATOM 1307 C PHE A 85 0.785 -6.745 -0.969 1.00 54.11 C ATOM 1308 O PHE A 85 0.776 -5.789 -1.750 1.00 52.52 O ATOM 1309 CB PHE A 85 -1.212 -8.223 -1.367 1.00 72.04 C ATOM 1310 CG PHE A 85 -2.398 -8.964 -0.799 1.00 0.23 C ATOM 1311 CD1 PHE A 85 -2.213 -10.033 0.066 1.00 2.13 C ATOM 1312 CD2 PHE A 85 -3.696 -8.598 -1.133 1.00 12.31 C ATOM 1313 CE1 PHE A 85 -3.293 -10.721 0.586 1.00 70.53 C ATOM 1314 CE2 PHE A 85 -4.780 -9.282 -0.614 1.00 14.42 C ATOM 1315 CZ PHE A 85 -4.578 -10.344 0.248 1.00 44.11 C ATOM 0 H PHE A 85 -2.201 -6.041 -0.612 1.00 64.42 H new ATOM 0 HA PHE A 85 -0.275 -7.847 0.539 1.00 3.20 H new ATOM 0 HB2 PHE A 85 -1.539 -7.639 -2.228 1.00 72.04 H new ATOM 0 HB3 PHE A 85 -0.484 -8.948 -1.732 1.00 72.04 H new ATOM 0 HD1 PHE A 85 -1.211 -10.332 0.337 1.00 2.13 H new ATOM 0 HD2 PHE A 85 -3.860 -7.769 -1.806 1.00 12.31 H new ATOM 0 HE1 PHE A 85 -3.132 -11.553 1.256 1.00 70.53 H new ATOM 0 HE2 PHE A 85 -5.784 -8.987 -0.882 1.00 14.42 H new ATOM 0 HZ PHE A 85 -5.423 -10.878 0.656 1.00 44.11 H new ATOM 1325 N ALA A 86 1.903 -7.368 -0.613 1.00 24.13 N ATOM 1326 CA ALA A 86 3.224 -6.919 -1.066 1.00 41.10 C ATOM 1327 C ALA A 86 3.630 -7.525 -2.423 1.00 64.10 C ATOM 1328 O ALA A 86 3.619 -8.744 -2.603 1.00 33.12 O ATOM 1329 CB ALA A 86 4.269 -7.258 -0.009 1.00 55.30 C ATOM 0 H ALA A 86 1.925 -8.190 -0.009 1.00 24.13 H new ATOM 0 HA ALA A 86 3.167 -5.840 -1.208 1.00 41.10 H new ATOM 0 HB1 ALA A 86 5.250 -6.924 -0.347 1.00 55.30 H new ATOM 0 HB2 ALA A 86 4.017 -6.757 0.926 1.00 55.30 H new ATOM 0 HB3 ALA A 86 4.288 -8.336 0.151 1.00 55.30 H new ATOM 1335 N LYS A 87 3.986 -6.660 -3.373 1.00 32.42 N ATOM 1336 CA LYS A 87 4.556 -7.088 -4.659 1.00 3.31 C ATOM 1337 C LYS A 87 5.830 -6.316 -4.971 1.00 73.51 C ATOM 1338 O LYS A 87 5.980 -5.158 -4.591 1.00 21.10 O ATOM 1339 CB LYS A 87 3.571 -6.885 -5.824 1.00 4.33 C ATOM 1340 CG LYS A 87 2.330 -7.759 -5.793 1.00 15.12 C ATOM 1341 CD LYS A 87 1.609 -7.699 -7.138 1.00 12.41 C ATOM 1342 CE LYS A 87 0.327 -8.504 -7.138 1.00 23.55 C ATOM 1343 NZ LYS A 87 -0.251 -8.624 -8.503 1.00 72.24 N ATOM 0 H LYS A 87 3.890 -5.649 -3.278 1.00 32.42 H new ATOM 0 HA LYS A 87 4.774 -8.151 -4.559 1.00 3.31 H new ATOM 0 HB2 LYS A 87 3.258 -5.841 -5.834 1.00 4.33 H new ATOM 0 HB3 LYS A 87 4.100 -7.068 -6.759 1.00 4.33 H new ATOM 0 HG2 LYS A 87 2.607 -8.789 -5.566 1.00 15.12 H new ATOM 0 HG3 LYS A 87 1.662 -7.426 -4.999 1.00 15.12 H new ATOM 0 HD2 LYS A 87 1.384 -6.661 -7.381 1.00 12.41 H new ATOM 0 HD3 LYS A 87 2.270 -8.073 -7.920 1.00 12.41 H new ATOM 0 HE2 LYS A 87 0.523 -9.499 -6.738 1.00 23.55 H new ATOM 0 HE3 LYS A 87 -0.399 -8.031 -6.476 1.00 23.55 H new ATOM 0 HZ1 LYS A 87 -1.128 -9.182 -8.461 1.00 72.24 H new ATOM 0 HZ2 LYS A 87 -0.461 -7.676 -8.875 1.00 72.24 H new ATOM 0 HZ3 LYS A 87 0.431 -9.098 -9.128 1.00 72.24 H new ATOM 1357 N LYS A 88 6.747 -6.970 -5.660 1.00 1.35 N ATOM 1358 CA LYS A 88 7.962 -6.323 -6.123 1.00 12.24 C ATOM 1359 C LYS A 88 7.718 -5.673 -7.497 1.00 62.15 C ATOM 1360 O LYS A 88 7.298 -6.347 -8.445 1.00 10.44 O ATOM 1361 CB LYS A 88 9.104 -7.343 -6.198 1.00 34.45 C ATOM 1362 CG LYS A 88 10.468 -6.695 -6.088 1.00 21.11 C ATOM 1363 CD LYS A 88 11.609 -7.690 -6.289 1.00 54.23 C ATOM 1364 CE LYS A 88 11.638 -8.766 -5.208 1.00 73.01 C ATOM 1365 NZ LYS A 88 12.753 -9.729 -5.420 1.00 73.10 N ATOM 0 H LYS A 88 6.673 -7.955 -5.913 1.00 1.35 H new ATOM 0 HA LYS A 88 8.246 -5.542 -5.417 1.00 12.24 H new ATOM 0 HB2 LYS A 88 8.987 -8.074 -5.398 1.00 34.45 H new ATOM 0 HB3 LYS A 88 9.039 -7.888 -7.140 1.00 34.45 H new ATOM 0 HG2 LYS A 88 10.549 -5.900 -6.829 1.00 21.11 H new ATOM 0 HG3 LYS A 88 10.566 -6.228 -5.108 1.00 21.11 H new ATOM 0 HD2 LYS A 88 11.508 -8.163 -7.266 1.00 54.23 H new ATOM 0 HD3 LYS A 88 12.558 -7.155 -6.291 1.00 54.23 H new ATOM 0 HE2 LYS A 88 11.744 -8.297 -4.230 1.00 73.01 H new ATOM 0 HE3 LYS A 88 10.689 -9.303 -5.203 1.00 73.01 H new ATOM 0 HZ1 LYS A 88 13.106 -10.060 -4.499 1.00 73.10 H new ATOM 0 HZ2 LYS A 88 12.410 -10.541 -5.971 1.00 73.10 H new ATOM 0 HZ3 LYS A 88 13.523 -9.260 -5.938 1.00 73.10 H new ATOM 1379 N GLY A 89 7.976 -4.368 -7.606 1.00 61.32 N ATOM 1380 CA GLY A 89 7.639 -3.636 -8.826 1.00 54.14 C ATOM 1381 C GLY A 89 8.818 -2.907 -9.459 1.00 62.12 C ATOM 1382 O GLY A 89 9.893 -2.805 -8.870 1.00 24.24 O ATOM 0 H GLY A 89 8.411 -3.804 -6.875 1.00 61.32 H new ATOM 0 HA2 GLY A 89 7.224 -4.334 -9.553 1.00 54.14 H new ATOM 0 HA3 GLY A 89 6.857 -2.911 -8.598 1.00 54.14 H new ATOM 1386 N ASP A 90 8.597 -2.371 -10.658 1.00 2.32 N ATOM 1387 CA ASP A 90 9.639 -1.677 -11.425 1.00 12.13 C ATOM 1388 C ASP A 90 9.826 -0.215 -10.966 1.00 53.14 C ATOM 1389 O ASP A 90 10.226 0.649 -11.751 1.00 71.23 O ATOM 1390 CB ASP A 90 9.266 -1.715 -12.909 1.00 30.41 C ATOM 1391 CG ASP A 90 9.061 -3.133 -13.403 1.00 13.44 C ATOM 1392 OD1 ASP A 90 7.974 -3.701 -13.161 1.00 42.01 O ATOM 1393 OD2 ASP A 90 9.990 -3.694 -14.019 1.00 61.20 O ATOM 0 H ASP A 90 7.692 -2.404 -11.128 1.00 2.32 H new ATOM 0 HA ASP A 90 10.586 -2.189 -11.255 1.00 12.13 H new ATOM 0 HB2 ASP A 90 8.354 -1.139 -13.069 1.00 30.41 H new ATOM 0 HB3 ASP A 90 10.052 -1.237 -13.493 1.00 30.41 H new ATOM 1398 N VAL A 91 9.559 0.045 -9.690 1.00 65.34 N ATOM 1399 CA VAL A 91 9.660 1.397 -9.127 1.00 21.02 C ATOM 1400 C VAL A 91 11.063 1.668 -8.545 1.00 62.13 C ATOM 1401 O VAL A 91 11.762 0.739 -8.127 1.00 34.24 O ATOM 1402 CB VAL A 91 8.591 1.611 -8.025 1.00 61.11 C ATOM 1403 CG1 VAL A 91 7.186 1.581 -8.628 1.00 24.50 C ATOM 1404 CG2 VAL A 91 8.733 0.558 -6.924 1.00 11.01 C ATOM 0 H VAL A 91 9.269 -0.665 -9.018 1.00 65.34 H new ATOM 0 HA VAL A 91 9.485 2.099 -9.942 1.00 21.02 H new ATOM 0 HB VAL A 91 8.749 2.592 -7.578 1.00 61.11 H new ATOM 0 HG11 VAL A 91 6.448 1.733 -7.840 1.00 24.50 H new ATOM 0 HG12 VAL A 91 7.092 2.373 -9.371 1.00 24.50 H new ATOM 0 HG13 VAL A 91 7.015 0.615 -9.104 1.00 24.50 H new ATOM 0 HG21 VAL A 91 7.974 0.726 -6.160 1.00 11.01 H new ATOM 0 HG22 VAL A 91 8.604 -0.436 -7.352 1.00 11.01 H new ATOM 0 HG23 VAL A 91 9.723 0.633 -6.474 1.00 11.01 H new ATOM 1414 N PRO A 92 11.504 2.947 -8.527 1.00 3.53 N ATOM 1415 CA PRO A 92 12.826 3.328 -7.987 1.00 34.51 C ATOM 1416 C PRO A 92 12.909 3.254 -6.448 1.00 2.42 C ATOM 1417 O PRO A 92 11.924 2.963 -5.771 1.00 44.51 O ATOM 1418 CB PRO A 92 12.995 4.775 -8.472 1.00 51.45 C ATOM 1419 CG PRO A 92 11.603 5.292 -8.605 1.00 51.44 C ATOM 1420 CD PRO A 92 10.763 4.118 -9.045 1.00 4.23 C ATOM 0 HA PRO A 92 13.607 2.647 -8.325 1.00 34.51 H new ATOM 0 HB2 PRO A 92 13.571 5.367 -7.761 1.00 51.45 H new ATOM 0 HB3 PRO A 92 13.525 4.815 -9.423 1.00 51.45 H new ATOM 0 HG2 PRO A 92 11.244 5.695 -7.658 1.00 51.44 H new ATOM 0 HG3 PRO A 92 11.555 6.101 -9.334 1.00 51.44 H new ATOM 0 HD2 PRO A 92 9.755 4.169 -8.633 1.00 4.23 H new ATOM 0 HD3 PRO A 92 10.662 4.081 -10.130 1.00 4.23 H new ATOM 1428 N LYS A 93 14.099 3.531 -5.912 1.00 15.23 N ATOM 1429 CA LYS A 93 14.357 3.450 -4.466 1.00 62.22 C ATOM 1430 C LYS A 93 13.502 4.452 -3.671 1.00 54.21 C ATOM 1431 O LYS A 93 13.295 5.587 -4.108 1.00 61.34 O ATOM 1432 CB LYS A 93 15.846 3.708 -4.195 1.00 25.30 C ATOM 1433 CG LYS A 93 16.230 3.665 -2.720 1.00 41.31 C ATOM 1434 CD LYS A 93 15.990 2.288 -2.118 1.00 15.31 C ATOM 1435 CE LYS A 93 16.345 2.245 -0.642 1.00 4.04 C ATOM 1436 NZ LYS A 93 15.482 3.151 0.169 1.00 34.12 N ATOM 0 H LYS A 93 14.910 3.817 -6.461 1.00 15.23 H new ATOM 0 HA LYS A 93 14.084 2.448 -4.134 1.00 62.22 H new ATOM 0 HB2 LYS A 93 16.436 2.966 -4.734 1.00 25.30 H new ATOM 0 HB3 LYS A 93 16.114 4.684 -4.600 1.00 25.30 H new ATOM 0 HG2 LYS A 93 17.281 3.933 -2.609 1.00 41.31 H new ATOM 0 HG3 LYS A 93 15.652 4.408 -2.171 1.00 41.31 H new ATOM 0 HD2 LYS A 93 14.943 2.013 -2.248 1.00 15.31 H new ATOM 0 HD3 LYS A 93 16.583 1.548 -2.656 1.00 15.31 H new ATOM 0 HE2 LYS A 93 16.244 1.224 -0.275 1.00 4.04 H new ATOM 0 HE3 LYS A 93 17.390 2.528 -0.512 1.00 4.04 H new ATOM 0 HZ1 LYS A 93 15.823 3.168 1.151 1.00 34.12 H new ATOM 0 HZ2 LYS A 93 15.519 4.112 -0.227 1.00 34.12 H new ATOM 0 HZ3 LYS A 93 14.501 2.806 0.149 1.00 34.12 H new ATOM 1450 N GLY A 94 13.013 4.033 -2.496 1.00 33.21 N ATOM 1451 CA GLY A 94 12.192 4.913 -1.670 1.00 50.45 C ATOM 1452 C GLY A 94 10.942 5.405 -2.392 1.00 3.10 C ATOM 1453 O GLY A 94 10.491 6.533 -2.182 1.00 70.23 O ATOM 0 H GLY A 94 13.171 3.104 -2.105 1.00 33.21 H new ATOM 0 HA2 GLY A 94 11.898 4.383 -0.764 1.00 50.45 H new ATOM 0 HA3 GLY A 94 12.787 5.771 -1.358 1.00 50.45 H new ATOM 1457 N MET A 95 10.379 4.556 -3.243 1.00 42.03 N ATOM 1458 CA MET A 95 9.207 4.917 -4.027 1.00 71.25 C ATOM 1459 C MET A 95 8.363 3.668 -4.332 1.00 41.34 C ATOM 1460 O MET A 95 8.903 2.619 -4.673 1.00 14.41 O ATOM 1461 CB MET A 95 9.676 5.591 -5.322 1.00 64.24 C ATOM 1462 CG MET A 95 8.612 6.415 -6.016 1.00 61.42 C ATOM 1463 SD MET A 95 9.274 7.322 -7.429 1.00 61.45 S ATOM 1464 CE MET A 95 7.897 8.387 -7.833 1.00 54.30 C ATOM 0 H MET A 95 10.718 3.608 -3.407 1.00 42.03 H new ATOM 0 HA MET A 95 8.580 5.609 -3.465 1.00 71.25 H new ATOM 0 HB2 MET A 95 10.527 6.234 -5.096 1.00 64.24 H new ATOM 0 HB3 MET A 95 10.031 4.823 -6.010 1.00 64.24 H new ATOM 0 HG2 MET A 95 7.807 5.760 -6.350 1.00 61.42 H new ATOM 0 HG3 MET A 95 8.177 7.118 -5.306 1.00 61.42 H new ATOM 0 HE1 MET A 95 7.499 8.112 -8.810 1.00 54.30 H new ATOM 0 HE2 MET A 95 7.118 8.276 -7.079 1.00 54.30 H new ATOM 0 HE3 MET A 95 8.233 9.423 -7.857 1.00 54.30 H new ATOM 1474 N ILE A 96 7.042 3.781 -4.200 1.00 70.13 N ATOM 1475 CA ILE A 96 6.138 2.645 -4.441 1.00 35.35 C ATOM 1476 C ILE A 96 4.890 3.071 -5.229 1.00 71.23 C ATOM 1477 O ILE A 96 4.395 4.189 -5.082 1.00 3.30 O ATOM 1478 CB ILE A 96 5.686 1.969 -3.114 1.00 54.21 C ATOM 1479 CG1 ILE A 96 4.950 2.974 -2.208 1.00 10.44 C ATOM 1480 CG2 ILE A 96 6.882 1.353 -2.380 1.00 43.01 C ATOM 1481 CD1 ILE A 96 4.412 2.368 -0.928 1.00 74.14 C ATOM 0 H ILE A 96 6.570 4.643 -3.928 1.00 70.13 H new ATOM 0 HA ILE A 96 6.709 1.927 -5.029 1.00 35.35 H new ATOM 0 HB ILE A 96 4.992 1.167 -3.365 1.00 54.21 H new ATOM 0 HG12 ILE A 96 5.631 3.787 -1.955 1.00 10.44 H new ATOM 0 HG13 ILE A 96 4.123 3.413 -2.766 1.00 10.44 H new ATOM 0 HG21 ILE A 96 6.541 0.887 -1.456 1.00 43.01 H new ATOM 0 HG22 ILE A 96 7.350 0.601 -3.015 1.00 43.01 H new ATOM 0 HG23 ILE A 96 7.607 2.133 -2.147 1.00 43.01 H new ATOM 0 HD11 ILE A 96 3.908 3.138 -0.345 1.00 74.14 H new ATOM 0 HD12 ILE A 96 3.705 1.575 -1.170 1.00 74.14 H new ATOM 0 HD13 ILE A 96 5.236 1.954 -0.347 1.00 74.14 H new ATOM 1493 N PHE A 97 4.385 2.172 -6.067 1.00 64.20 N ATOM 1494 CA PHE A 97 3.170 2.438 -6.845 1.00 51.40 C ATOM 1495 C PHE A 97 1.996 1.588 -6.350 1.00 74.25 C ATOM 1496 O PHE A 97 2.146 0.397 -6.083 1.00 33.05 O ATOM 1497 CB PHE A 97 3.406 2.166 -8.339 1.00 75.23 C ATOM 1498 CG PHE A 97 2.150 2.291 -9.173 1.00 52.11 C ATOM 1499 CD1 PHE A 97 1.728 3.529 -9.638 1.00 72.35 C ATOM 1500 CD2 PHE A 97 1.383 1.172 -9.475 1.00 51.53 C ATOM 1501 CE1 PHE A 97 0.572 3.646 -10.384 1.00 13.22 C ATOM 1502 CE2 PHE A 97 0.225 1.287 -10.217 1.00 40.12 C ATOM 1503 CZ PHE A 97 -0.180 2.525 -10.673 1.00 22.23 C ATOM 0 H PHE A 97 4.794 1.252 -6.228 1.00 64.20 H new ATOM 0 HA PHE A 97 2.922 3.491 -6.708 1.00 51.40 H new ATOM 0 HB2 PHE A 97 4.155 2.863 -8.715 1.00 75.23 H new ATOM 0 HB3 PHE A 97 3.816 1.163 -8.459 1.00 75.23 H new ATOM 0 HD1 PHE A 97 2.310 4.410 -9.414 1.00 72.35 H new ATOM 0 HD2 PHE A 97 1.697 0.200 -9.125 1.00 51.53 H new ATOM 0 HE1 PHE A 97 0.256 4.615 -10.742 1.00 13.22 H new ATOM 0 HE2 PHE A 97 -0.363 0.409 -10.440 1.00 40.12 H new ATOM 0 HZ PHE A 97 -1.085 2.617 -11.256 1.00 22.23 H new ATOM 1513 N ILE A 98 0.827 2.207 -6.238 1.00 31.34 N ATOM 1514 CA ILE A 98 -0.400 1.488 -5.885 1.00 13.53 C ATOM 1515 C ILE A 98 -1.507 1.759 -6.924 1.00 1.42 C ATOM 1516 O ILE A 98 -1.714 2.899 -7.340 1.00 24.11 O ATOM 1517 CB ILE A 98 -0.910 1.889 -4.469 1.00 71.40 C ATOM 1518 CG1 ILE A 98 0.189 1.657 -3.413 1.00 45.05 C ATOM 1519 CG2 ILE A 98 -2.178 1.107 -4.107 1.00 24.41 C ATOM 1520 CD1 ILE A 98 -0.243 1.966 -1.995 1.00 73.43 C ATOM 0 H ILE A 98 0.699 3.208 -6.386 1.00 31.34 H new ATOM 0 HA ILE A 98 -0.161 0.425 -5.879 1.00 13.53 H new ATOM 0 HB ILE A 98 -1.157 2.951 -4.483 1.00 71.40 H new ATOM 0 HG12 ILE A 98 0.514 0.618 -3.464 1.00 45.05 H new ATOM 0 HG13 ILE A 98 1.053 2.274 -3.661 1.00 45.05 H new ATOM 0 HG21 ILE A 98 -2.517 1.403 -3.114 1.00 24.41 H new ATOM 0 HG22 ILE A 98 -2.959 1.323 -4.836 1.00 24.41 H new ATOM 0 HG23 ILE A 98 -1.961 0.039 -4.113 1.00 24.41 H new ATOM 0 HD11 ILE A 98 0.586 1.777 -1.313 1.00 73.43 H new ATOM 0 HD12 ILE A 98 -0.540 3.012 -1.925 1.00 73.43 H new ATOM 0 HD13 ILE A 98 -1.087 1.331 -1.725 1.00 73.43 H new ATOM 1532 N PRO A 99 -2.212 0.716 -7.394 1.00 10.42 N ATOM 1533 CA PRO A 99 -3.362 0.897 -8.296 1.00 4.30 C ATOM 1534 C PRO A 99 -4.395 1.900 -7.743 1.00 55.01 C ATOM 1535 O PRO A 99 -4.649 1.935 -6.536 1.00 34.23 O ATOM 1536 CB PRO A 99 -3.962 -0.510 -8.378 1.00 72.31 C ATOM 1537 CG PRO A 99 -2.814 -1.429 -8.109 1.00 21.32 C ATOM 1538 CD PRO A 99 -1.939 -0.710 -7.118 1.00 71.54 C ATOM 0 HA PRO A 99 -3.067 1.308 -9.261 1.00 4.30 H new ATOM 0 HB2 PRO A 99 -4.757 -0.645 -7.645 1.00 72.31 H new ATOM 0 HB3 PRO A 99 -4.398 -0.698 -9.359 1.00 72.31 H new ATOM 0 HG2 PRO A 99 -3.161 -2.381 -7.707 1.00 21.32 H new ATOM 0 HG3 PRO A 99 -2.267 -1.651 -9.025 1.00 21.32 H new ATOM 0 HD2 PRO A 99 -2.191 -0.976 -6.092 1.00 71.54 H new ATOM 0 HD3 PRO A 99 -0.886 -0.953 -7.261 1.00 71.54 H new ATOM 1546 N MET A 100 -4.982 2.718 -8.621 1.00 13.33 N ATOM 1547 CA MET A 100 -5.960 3.726 -8.185 1.00 30.44 C ATOM 1548 C MET A 100 -7.159 3.064 -7.489 1.00 54.24 C ATOM 1549 O MET A 100 -7.996 2.438 -8.140 1.00 23.24 O ATOM 1550 CB MET A 100 -6.449 4.553 -9.383 1.00 34.00 C ATOM 1551 CG MET A 100 -6.822 6.000 -9.055 1.00 44.43 C ATOM 1552 SD MET A 100 -8.025 6.169 -7.711 1.00 22.21 S ATOM 1553 CE MET A 100 -6.964 6.371 -6.273 1.00 0.23 C ATOM 0 H MET A 100 -4.803 2.706 -9.625 1.00 13.33 H new ATOM 0 HA MET A 100 -5.465 4.386 -7.473 1.00 30.44 H new ATOM 0 HB2 MET A 100 -5.670 4.557 -10.146 1.00 34.00 H new ATOM 0 HB3 MET A 100 -7.318 4.058 -9.818 1.00 34.00 H new ATOM 0 HG2 MET A 100 -5.917 6.545 -8.788 1.00 44.43 H new ATOM 0 HG3 MET A 100 -7.226 6.472 -9.951 1.00 44.43 H new ATOM 0 HE1 MET A 100 -7.332 7.195 -5.662 1.00 0.23 H new ATOM 0 HE2 MET A 100 -6.969 5.453 -5.685 1.00 0.23 H new ATOM 0 HE3 MET A 100 -5.947 6.587 -6.599 1.00 0.23 H new ATOM 1563 N GLY A 101 -7.229 3.187 -6.161 1.00 3.44 N ATOM 1564 CA GLY A 101 -8.330 2.568 -5.428 1.00 74.12 C ATOM 1565 C GLY A 101 -8.450 3.041 -3.984 1.00 44.03 C ATOM 1566 O GLY A 101 -7.632 3.835 -3.520 1.00 23.10 O ATOM 0 H GLY A 101 -6.556 3.695 -5.587 1.00 3.44 H new ATOM 0 HA2 GLY A 101 -9.264 2.778 -5.948 1.00 74.12 H new ATOM 0 HA3 GLY A 101 -8.197 1.486 -5.436 1.00 74.12 H new ATOM 1570 N PRO A 102 -9.461 2.540 -3.236 1.00 65.21 N ATOM 1571 CA PRO A 102 -9.718 2.957 -1.842 1.00 23.03 C ATOM 1572 C PRO A 102 -8.514 2.723 -0.919 1.00 63.21 C ATOM 1573 O PRO A 102 -8.259 3.508 -0.008 1.00 61.24 O ATOM 1574 CB PRO A 102 -10.915 2.085 -1.413 1.00 54.25 C ATOM 1575 CG PRO A 102 -10.943 0.958 -2.391 1.00 74.33 C ATOM 1576 CD PRO A 102 -10.431 1.528 -3.685 1.00 14.03 C ATOM 0 HA PRO A 102 -9.913 4.027 -1.774 1.00 23.03 H new ATOM 0 HB2 PRO A 102 -10.792 1.720 -0.393 1.00 54.25 H new ATOM 0 HB3 PRO A 102 -11.845 2.652 -1.438 1.00 54.25 H new ATOM 0 HG2 PRO A 102 -10.318 0.131 -2.053 1.00 74.33 H new ATOM 0 HG3 PRO A 102 -11.954 0.567 -2.508 1.00 74.33 H new ATOM 0 HD2 PRO A 102 -9.961 0.765 -4.305 1.00 14.03 H new ATOM 0 HD3 PRO A 102 -11.232 1.971 -4.277 1.00 14.03 H new ATOM 1584 N TYR A 103 -7.773 1.645 -1.170 1.00 74.41 N ATOM 1585 CA TYR A 103 -6.559 1.339 -0.406 1.00 22.33 C ATOM 1586 C TYR A 103 -5.536 2.471 -0.542 1.00 4.52 C ATOM 1587 O TYR A 103 -5.020 2.984 0.450 1.00 22.32 O ATOM 1588 CB TYR A 103 -5.967 0.002 -0.878 1.00 63.03 C ATOM 1589 CG TYR A 103 -6.902 -1.171 -0.647 1.00 2.34 C ATOM 1590 CD1 TYR A 103 -7.996 -1.386 -1.479 1.00 30.13 C ATOM 1591 CD2 TYR A 103 -6.709 -2.046 0.419 1.00 41.43 C ATOM 1592 CE1 TYR A 103 -8.866 -2.434 -1.259 1.00 61.14 C ATOM 1593 CE2 TYR A 103 -7.579 -3.094 0.648 1.00 34.11 C ATOM 1594 CZ TYR A 103 -8.656 -3.283 -0.194 1.00 45.14 C ATOM 1595 OH TYR A 103 -9.527 -4.322 0.030 1.00 2.54 O ATOM 0 H TYR A 103 -7.991 0.965 -1.899 1.00 74.41 H new ATOM 0 HA TYR A 103 -6.818 1.250 0.649 1.00 22.33 H new ATOM 0 HB2 TYR A 103 -5.732 0.069 -1.940 1.00 63.03 H new ATOM 0 HB3 TYR A 103 -5.028 -0.179 -0.354 1.00 63.03 H new ATOM 0 HD1 TYR A 103 -8.167 -0.721 -2.312 1.00 30.13 H new ATOM 0 HD2 TYR A 103 -5.865 -1.903 1.078 1.00 41.43 H new ATOM 0 HE1 TYR A 103 -9.707 -2.588 -1.918 1.00 61.14 H new ATOM 0 HE2 TYR A 103 -7.417 -3.762 1.481 1.00 34.11 H new ATOM 0 HH TYR A 103 -9.389 -4.675 0.934 1.00 2.54 H new ATOM 1605 N ALA A 104 -5.271 2.874 -1.779 1.00 21.14 N ATOM 1606 CA ALA A 104 -4.408 4.023 -2.046 1.00 14.21 C ATOM 1607 C ALA A 104 -5.042 5.322 -1.523 1.00 75.15 C ATOM 1608 O ALA A 104 -4.358 6.191 -1.000 1.00 11.23 O ATOM 1609 CB ALA A 104 -4.126 4.126 -3.538 1.00 22.32 C ATOM 0 H ALA A 104 -5.641 2.423 -2.616 1.00 21.14 H new ATOM 0 HA ALA A 104 -3.465 3.877 -1.519 1.00 14.21 H new ATOM 0 HB1 ALA A 104 -3.482 4.985 -3.728 1.00 22.32 H new ATOM 0 HB2 ALA A 104 -3.629 3.218 -3.878 1.00 22.32 H new ATOM 0 HB3 ALA A 104 -5.065 4.250 -4.078 1.00 22.32 H new ATOM 1615 N ASN A 105 -6.362 5.428 -1.651 1.00 3.13 N ATOM 1616 CA ASN A 105 -7.120 6.588 -1.154 1.00 74.24 C ATOM 1617 C ASN A 105 -6.890 6.817 0.357 1.00 21.44 C ATOM 1618 O ASN A 105 -7.115 7.913 0.872 1.00 14.20 O ATOM 1619 CB ASN A 105 -8.613 6.380 -1.456 1.00 1.35 C ATOM 1620 CG ASN A 105 -9.521 7.389 -0.776 1.00 24.23 C ATOM 1621 OD1 ASN A 105 -9.799 8.460 -1.307 1.00 4.52 O ATOM 1622 ND2 ASN A 105 -9.998 7.045 0.401 1.00 50.43 N ATOM 0 H ASN A 105 -6.941 4.718 -2.100 1.00 3.13 H new ATOM 0 HA ASN A 105 -6.765 7.482 -1.666 1.00 74.24 H new ATOM 0 HB2 ASN A 105 -8.767 6.434 -2.534 1.00 1.35 H new ATOM 0 HB3 ASN A 105 -8.901 5.377 -1.143 1.00 1.35 H new ATOM 0 HD21 ASN A 105 -10.621 7.677 0.903 1.00 50.43 H new ATOM 0 HD22 ASN A 105 -9.745 6.146 0.811 1.00 50.43 H new ATOM 1629 N MET A 106 -6.432 5.779 1.056 1.00 4.15 N ATOM 1630 CA MET A 106 -6.114 5.880 2.487 1.00 62.25 C ATOM 1631 C MET A 106 -4.825 6.677 2.729 1.00 52.30 C ATOM 1632 O MET A 106 -4.625 7.240 3.804 1.00 52.33 O ATOM 1633 CB MET A 106 -5.954 4.478 3.081 1.00 54.33 C ATOM 1634 CG MET A 106 -7.200 3.621 2.974 1.00 61.55 C ATOM 1635 SD MET A 106 -8.522 4.182 4.061 1.00 45.35 S ATOM 1636 CE MET A 106 -7.899 3.647 5.651 1.00 30.23 C ATOM 0 H MET A 106 -6.271 4.854 0.657 1.00 4.15 H new ATOM 0 HA MET A 106 -6.937 6.406 2.971 1.00 62.25 H new ATOM 0 HB2 MET A 106 -5.132 3.971 2.576 1.00 54.33 H new ATOM 0 HB3 MET A 106 -5.676 4.568 4.131 1.00 54.33 H new ATOM 0 HG2 MET A 106 -7.554 3.629 1.943 1.00 61.55 H new ATOM 0 HG3 MET A 106 -6.948 2.589 3.217 1.00 61.55 H new ATOM 0 HE1 MET A 106 -8.704 3.676 6.386 1.00 30.23 H new ATOM 0 HE2 MET A 106 -7.519 2.629 5.569 1.00 30.23 H new ATOM 0 HE3 MET A 106 -7.094 4.310 5.968 1.00 30.23 H new ATOM 1646 N VAL A 107 -3.951 6.724 1.723 1.00 22.42 N ATOM 1647 CA VAL A 107 -2.611 7.305 1.895 1.00 11.12 C ATOM 1648 C VAL A 107 -2.265 8.349 0.819 1.00 53.13 C ATOM 1649 O VAL A 107 -1.252 9.040 0.924 1.00 13.11 O ATOM 1650 CB VAL A 107 -1.524 6.200 1.903 1.00 63.21 C ATOM 1651 CG1 VAL A 107 -1.685 5.287 3.120 1.00 42.22 C ATOM 1652 CG2 VAL A 107 -1.561 5.392 0.605 1.00 31.23 C ATOM 0 H VAL A 107 -4.141 6.370 0.785 1.00 22.42 H new ATOM 0 HA VAL A 107 -2.629 7.815 2.858 1.00 11.12 H new ATOM 0 HB VAL A 107 -0.550 6.684 1.971 1.00 63.21 H new ATOM 0 HG11 VAL A 107 -0.911 4.520 3.104 1.00 42.22 H new ATOM 0 HG12 VAL A 107 -1.592 5.877 4.032 1.00 42.22 H new ATOM 0 HG13 VAL A 107 -2.666 4.813 3.092 1.00 42.22 H new ATOM 0 HG21 VAL A 107 -0.790 4.623 0.633 1.00 31.23 H new ATOM 0 HG22 VAL A 107 -2.538 4.922 0.497 1.00 31.23 H new ATOM 0 HG23 VAL A 107 -1.381 6.055 -0.241 1.00 31.23 H new ATOM 1662 N ILE A 108 -3.096 8.469 -0.211 1.00 15.22 N ATOM 1663 CA ILE A 108 -2.852 9.451 -1.272 1.00 5.23 C ATOM 1664 C ILE A 108 -3.797 10.658 -1.152 1.00 75.12 C ATOM 1665 O ILE A 108 -4.604 10.746 -0.226 1.00 15.42 O ATOM 1666 CB ILE A 108 -3.006 8.843 -2.688 1.00 50.22 C ATOM 1667 CG1 ILE A 108 -4.480 8.724 -3.080 1.00 54.12 C ATOM 1668 CG2 ILE A 108 -2.319 7.479 -2.790 1.00 51.44 C ATOM 1669 CD1 ILE A 108 -4.646 8.527 -4.557 1.00 55.31 C ATOM 0 H ILE A 108 -3.938 7.907 -0.337 1.00 15.22 H new ATOM 0 HA ILE A 108 -1.820 9.776 -1.140 1.00 5.23 H new ATOM 0 HB ILE A 108 -2.516 9.523 -3.385 1.00 50.22 H new ATOM 0 HG12 ILE A 108 -4.932 7.887 -2.548 1.00 54.12 H new ATOM 0 HG13 ILE A 108 -5.013 9.623 -2.770 1.00 54.12 H new ATOM 0 HG21 ILE A 108 -2.447 7.082 -3.797 1.00 51.44 H new ATOM 0 HG22 ILE A 108 -1.256 7.590 -2.576 1.00 51.44 H new ATOM 0 HG23 ILE A 108 -2.764 6.793 -2.070 1.00 51.44 H new ATOM 0 HD11 ILE A 108 -5.706 8.447 -4.796 1.00 55.31 H new ATOM 0 HD12 ILE A 108 -4.217 9.377 -5.088 1.00 55.31 H new ATOM 0 HD13 ILE A 108 -4.135 7.614 -4.862 1.00 55.31 H new ATOM 1681 N ASP A 109 -3.688 11.584 -2.102 1.00 15.10 N ATOM 1682 CA ASP A 109 -4.584 12.737 -2.173 1.00 51.43 C ATOM 1683 C ASP A 109 -5.587 12.584 -3.334 1.00 31.41 C ATOM 1684 O ASP A 109 -5.192 12.514 -4.498 1.00 5.32 O ATOM 1685 CB ASP A 109 -3.774 14.023 -2.344 1.00 62.12 C ATOM 1686 CG ASP A 109 -4.667 15.241 -2.502 1.00 20.00 C ATOM 1687 OD1 ASP A 109 -5.279 15.666 -1.503 1.00 42.13 O ATOM 1688 OD2 ASP A 109 -4.782 15.762 -3.628 1.00 22.11 O ATOM 0 H ASP A 109 -2.983 11.558 -2.838 1.00 15.10 H new ATOM 0 HA ASP A 109 -5.146 12.791 -1.241 1.00 51.43 H new ATOM 0 HB2 ASP A 109 -3.124 14.160 -1.480 1.00 62.12 H new ATOM 0 HB3 ASP A 109 -3.128 13.931 -3.217 1.00 62.12 H new ATOM 1862 N GLY A 122 3.832 10.906 -6.698 1.00 21.03 N ATOM 1863 CA GLY A 122 2.568 10.887 -5.973 1.00 31.32 C ATOM 1864 C GLY A 122 2.635 11.530 -4.593 1.00 31.31 C ATOM 1865 O GLY A 122 3.178 12.624 -4.428 1.00 13.11 O ATOM 0 HA2 GLY A 122 1.813 11.402 -6.566 1.00 31.32 H new ATOM 0 HA3 GLY A 122 2.238 9.854 -5.865 1.00 31.32 H new ATOM 1869 N VAL A 123 2.059 10.855 -3.602 1.00 4.30 N ATOM 1870 CA VAL A 123 2.059 11.348 -2.218 1.00 11.00 C ATOM 1871 C VAL A 123 3.139 10.652 -1.370 1.00 41.43 C ATOM 1872 O VAL A 123 3.106 9.440 -1.182 1.00 31.11 O ATOM 1873 CB VAL A 123 0.678 11.124 -1.559 1.00 61.44 C ATOM 1874 CG1 VAL A 123 0.651 11.684 -0.136 1.00 30.24 C ATOM 1875 CG2 VAL A 123 -0.430 11.731 -2.420 1.00 55.30 C ATOM 0 H VAL A 123 1.583 9.961 -3.727 1.00 4.30 H new ATOM 0 HA VAL A 123 2.278 12.415 -2.258 1.00 11.00 H new ATOM 0 HB VAL A 123 0.500 10.051 -1.489 1.00 61.44 H new ATOM 0 HG11 VAL A 123 -0.332 11.513 0.304 1.00 30.24 H new ATOM 0 HG12 VAL A 123 1.410 11.184 0.466 1.00 30.24 H new ATOM 0 HG13 VAL A 123 0.855 12.754 -0.162 1.00 30.24 H new ATOM 0 HG21 VAL A 123 -1.395 11.564 -1.942 1.00 55.30 H new ATOM 0 HG22 VAL A 123 -0.260 12.802 -2.530 1.00 55.30 H new ATOM 0 HG23 VAL A 123 -0.426 11.260 -3.403 1.00 55.30 H new ATOM 1885 N LYS A 124 4.087 11.425 -0.850 1.00 75.34 N ATOM 1886 CA LYS A 124 5.179 10.863 -0.042 1.00 42.33 C ATOM 1887 C LYS A 124 4.701 10.417 1.351 1.00 1.24 C ATOM 1888 O LYS A 124 3.698 10.909 1.871 1.00 51.52 O ATOM 1889 CB LYS A 124 6.326 11.876 0.093 1.00 1.13 C ATOM 1890 CG LYS A 124 6.994 12.219 -1.235 1.00 13.14 C ATOM 1891 CD LYS A 124 8.243 13.077 -1.053 1.00 21.20 C ATOM 1892 CE LYS A 124 7.932 14.432 -0.427 1.00 70.44 C ATOM 1893 NZ LYS A 124 9.160 15.249 -0.254 1.00 2.24 N ATOM 0 H LYS A 124 4.127 12.437 -0.969 1.00 75.34 H new ATOM 0 HA LYS A 124 5.540 9.977 -0.564 1.00 42.33 H new ATOM 0 HB2 LYS A 124 5.941 12.791 0.544 1.00 1.13 H new ATOM 0 HB3 LYS A 124 7.076 11.475 0.775 1.00 1.13 H new ATOM 0 HG2 LYS A 124 7.261 11.298 -1.753 1.00 13.14 H new ATOM 0 HG3 LYS A 124 6.283 12.747 -1.871 1.00 13.14 H new ATOM 0 HD2 LYS A 124 8.957 12.545 -0.425 1.00 21.20 H new ATOM 0 HD3 LYS A 124 8.721 13.228 -2.021 1.00 21.20 H new ATOM 0 HE2 LYS A 124 7.222 14.970 -1.056 1.00 70.44 H new ATOM 0 HE3 LYS A 124 7.453 14.285 0.541 1.00 70.44 H new ATOM 0 HZ1 LYS A 124 8.911 16.164 0.174 1.00 2.24 H new ATOM 0 HZ2 LYS A 124 9.827 14.746 0.366 1.00 2.24 H new ATOM 0 HZ3 LYS A 124 9.603 15.410 -1.181 1.00 2.24 H new ATOM 1907 N GLY A 125 5.432 9.475 1.939 1.00 30.45 N ATOM 1908 CA GLY A 125 5.082 8.950 3.252 1.00 12.33 C ATOM 1909 C GLY A 125 6.023 7.841 3.717 1.00 24.43 C ATOM 1910 O GLY A 125 7.243 7.954 3.587 1.00 65.23 O ATOM 0 H GLY A 125 6.268 9.061 1.527 1.00 30.45 H new ATOM 0 HA2 GLY A 125 5.098 9.762 3.979 1.00 12.33 H new ATOM 0 HA3 GLY A 125 4.062 8.567 3.225 1.00 12.33 H new ATOM 1914 N THR A 126 5.456 6.759 4.253 1.00 52.04 N ATOM 1915 CA THR A 126 6.255 5.643 4.793 1.00 11.32 C ATOM 1916 C THR A 126 5.640 4.274 4.464 1.00 50.34 C ATOM 1917 O THR A 126 4.432 4.156 4.249 1.00 21.14 O ATOM 1918 CB THR A 126 6.403 5.738 6.331 1.00 25.43 C ATOM 1919 OG1 THR A 126 5.108 5.781 6.950 1.00 43.31 O ATOM 1920 CG2 THR A 126 7.206 6.967 6.749 1.00 10.03 C ATOM 0 H THR A 126 4.447 6.626 4.328 1.00 52.04 H new ATOM 0 HA THR A 126 7.232 5.727 4.316 1.00 11.32 H new ATOM 0 HB THR A 126 6.943 4.851 6.662 1.00 25.43 H new ATOM 0 HG1 THR A 126 4.443 6.083 6.297 1.00 43.31 H new ATOM 0 HG21 THR A 126 7.287 6.997 7.836 1.00 10.03 H new ATOM 0 HG22 THR A 126 8.203 6.916 6.312 1.00 10.03 H new ATOM 0 HG23 THR A 126 6.702 7.868 6.398 1.00 10.03 H new ATOM 1928 N VAL A 127 6.489 3.246 4.431 1.00 33.23 N ATOM 1929 CA VAL A 127 6.047 1.860 4.229 1.00 52.11 C ATOM 1930 C VAL A 127 6.731 0.918 5.239 1.00 34.11 C ATOM 1931 O VAL A 127 7.874 1.150 5.652 1.00 2.21 O ATOM 1932 CB VAL A 127 6.339 1.370 2.784 1.00 25.22 C ATOM 1933 CG1 VAL A 127 7.842 1.283 2.525 1.00 3.12 C ATOM 1934 CG2 VAL A 127 5.656 0.028 2.511 1.00 11.24 C ATOM 0 H VAL A 127 7.498 3.347 4.543 1.00 33.23 H new ATOM 0 HA VAL A 127 4.969 1.840 4.388 1.00 52.11 H new ATOM 0 HB VAL A 127 5.924 2.104 2.093 1.00 25.22 H new ATOM 0 HG11 VAL A 127 8.016 0.937 1.506 1.00 3.12 H new ATOM 0 HG12 VAL A 127 8.291 2.267 2.656 1.00 3.12 H new ATOM 0 HG13 VAL A 127 8.292 0.582 3.228 1.00 3.12 H new ATOM 0 HG21 VAL A 127 5.877 -0.292 1.493 1.00 11.24 H new ATOM 0 HG22 VAL A 127 6.026 -0.718 3.214 1.00 11.24 H new ATOM 0 HG23 VAL A 127 4.578 0.137 2.631 1.00 11.24 H new ATOM 1944 N GLU A 128 6.026 -0.135 5.634 1.00 70.45 N ATOM 1945 CA GLU A 128 6.534 -1.092 6.625 1.00 43.43 C ATOM 1946 C GLU A 128 5.932 -2.491 6.416 1.00 14.13 C ATOM 1947 O GLU A 128 4.919 -2.646 5.743 1.00 55.34 O ATOM 1948 CB GLU A 128 6.191 -0.596 8.039 1.00 61.10 C ATOM 1949 CG GLU A 128 4.712 -0.258 8.213 1.00 54.23 C ATOM 1950 CD GLU A 128 4.353 0.189 9.620 1.00 54.20 C ATOM 1951 OE1 GLU A 128 4.848 1.244 10.060 1.00 55.13 O ATOM 1952 OE2 GLU A 128 3.551 -0.493 10.289 1.00 24.14 O ATOM 0 H GLU A 128 5.093 -0.354 5.284 1.00 70.45 H new ATOM 0 HA GLU A 128 7.615 -1.164 6.502 1.00 43.43 H new ATOM 0 HB2 GLU A 128 6.470 -1.361 8.764 1.00 61.10 H new ATOM 0 HB3 GLU A 128 6.788 0.288 8.262 1.00 61.10 H new ATOM 0 HG2 GLU A 128 4.443 0.530 7.510 1.00 54.23 H new ATOM 0 HG3 GLU A 128 4.115 -1.133 7.955 1.00 54.23 H new ATOM 1959 N LYS A 129 6.569 -3.510 6.987 1.00 24.41 N ATOM 1960 CA LYS A 129 5.982 -4.856 7.026 1.00 4.03 C ATOM 1961 C LYS A 129 5.086 -5.008 8.261 1.00 23.11 C ATOM 1962 O LYS A 129 5.431 -4.538 9.348 1.00 3.11 O ATOM 1963 CB LYS A 129 7.075 -5.935 7.072 1.00 13.02 C ATOM 1964 CG LYS A 129 6.516 -7.358 7.184 1.00 24.25 C ATOM 1965 CD LYS A 129 7.548 -8.345 7.725 1.00 72.34 C ATOM 1966 CE LYS A 129 8.641 -8.660 6.716 1.00 32.11 C ATOM 1967 NZ LYS A 129 8.151 -9.522 5.611 1.00 14.33 N ATOM 0 H LYS A 129 7.486 -3.435 7.428 1.00 24.41 H new ATOM 0 HA LYS A 129 5.391 -4.985 6.119 1.00 4.03 H new ATOM 0 HB2 LYS A 129 7.687 -5.862 6.173 1.00 13.02 H new ATOM 0 HB3 LYS A 129 7.731 -5.742 7.920 1.00 13.02 H new ATOM 0 HG2 LYS A 129 5.644 -7.353 7.838 1.00 24.25 H new ATOM 0 HG3 LYS A 129 6.177 -7.691 6.203 1.00 24.25 H new ATOM 0 HD2 LYS A 129 8.000 -7.934 8.628 1.00 72.34 H new ATOM 0 HD3 LYS A 129 7.046 -9.269 8.012 1.00 72.34 H new ATOM 0 HE2 LYS A 129 9.032 -7.730 6.303 1.00 32.11 H new ATOM 0 HE3 LYS A 129 9.469 -9.156 7.222 1.00 32.11 H new ATOM 0 HZ1 LYS A 129 8.962 -9.905 5.084 1.00 14.33 H new ATOM 0 HZ2 LYS A 129 7.592 -10.306 6.004 1.00 14.33 H new ATOM 0 HZ3 LYS A 129 7.555 -8.960 4.970 1.00 14.33 H new ATOM 1981 N THR A 130 3.952 -5.682 8.110 1.00 73.22 N ATOM 1982 CA THR A 130 3.058 -5.924 9.248 1.00 32.15 C ATOM 1983 C THR A 130 2.475 -7.339 9.224 1.00 42.30 C ATOM 1984 O THR A 130 2.179 -7.891 8.164 1.00 61.10 O ATOM 1985 CB THR A 130 1.896 -4.893 9.324 1.00 62.53 C ATOM 1986 OG1 THR A 130 1.077 -5.165 10.473 1.00 22.43 O ATOM 1987 CG2 THR A 130 1.030 -4.924 8.068 1.00 40.00 C ATOM 0 H THR A 130 3.628 -6.069 7.224 1.00 73.22 H new ATOM 0 HA THR A 130 3.679 -5.808 10.136 1.00 32.15 H new ATOM 0 HB THR A 130 2.340 -3.901 9.406 1.00 62.53 H new ATOM 0 HG1 THR A 130 0.448 -4.426 10.609 1.00 22.43 H new ATOM 0 HG21 THR A 130 0.230 -4.190 8.160 1.00 40.00 H new ATOM 0 HG22 THR A 130 1.642 -4.687 7.198 1.00 40.00 H new ATOM 0 HG23 THR A 130 0.599 -5.918 7.948 1.00 40.00 H new ATOM 1995 N ASP A 131 2.337 -7.923 10.408 1.00 42.30 N ATOM 1996 CA ASP A 131 1.703 -9.235 10.568 1.00 23.44 C ATOM 1997 C ASP A 131 0.177 -9.125 10.428 1.00 21.15 C ATOM 1998 O ASP A 131 -0.530 -10.132 10.326 1.00 53.24 O ATOM 1999 CB ASP A 131 2.080 -9.822 11.934 1.00 24.11 C ATOM 2000 CG ASP A 131 1.933 -8.806 13.055 1.00 71.31 C ATOM 2001 OD1 ASP A 131 2.865 -7.998 13.251 1.00 31.32 O ATOM 2002 OD2 ASP A 131 0.885 -8.797 13.733 1.00 51.22 O ATOM 0 H ASP A 131 2.658 -7.507 11.282 1.00 42.30 H new ATOM 0 HA ASP A 131 2.062 -9.900 9.782 1.00 23.44 H new ATOM 0 HB2 ASP A 131 1.449 -10.686 12.143 1.00 24.11 H new ATOM 0 HB3 ASP A 131 3.109 -10.180 11.903 1.00 24.11 H new ATOM 2007 N GLU A 132 -0.319 -7.888 10.427 1.00 0.13 N ATOM 2008 CA GLU A 132 -1.747 -7.615 10.263 1.00 65.24 C ATOM 2009 C GLU A 132 -2.275 -8.103 8.909 1.00 14.02 C ATOM 2010 O GLU A 132 -1.530 -8.214 7.931 1.00 13.04 O ATOM 2011 CB GLU A 132 -2.020 -6.112 10.408 1.00 12.50 C ATOM 2012 CG GLU A 132 -1.991 -5.613 11.848 1.00 3.24 C ATOM 2013 CD GLU A 132 -3.161 -6.142 12.662 1.00 1.51 C ATOM 2014 OE1 GLU A 132 -4.266 -5.568 12.565 1.00 64.01 O ATOM 2015 OE2 GLU A 132 -2.990 -7.147 13.388 1.00 34.13 O ATOM 0 H GLU A 132 0.254 -7.051 10.539 1.00 0.13 H new ATOM 0 HA GLU A 132 -2.272 -8.164 11.045 1.00 65.24 H new ATOM 0 HB2 GLU A 132 -1.279 -5.561 9.828 1.00 12.50 H new ATOM 0 HB3 GLU A 132 -2.995 -5.887 9.976 1.00 12.50 H new ATOM 0 HG2 GLU A 132 -1.056 -5.918 12.318 1.00 3.24 H new ATOM 0 HG3 GLU A 132 -2.010 -4.523 11.854 1.00 3.24 H new ATOM 2022 N LYS A 133 -3.569 -8.391 8.865 1.00 45.12 N ATOM 2023 CA LYS A 133 -4.219 -8.822 7.628 1.00 42.35 C ATOM 2024 C LYS A 133 -4.564 -7.637 6.720 1.00 15.44 C ATOM 2025 O LYS A 133 -4.629 -6.489 7.162 1.00 62.51 O ATOM 2026 CB LYS A 133 -5.495 -9.613 7.936 1.00 31.20 C ATOM 2027 CG LYS A 133 -6.485 -8.859 8.822 1.00 4.00 C ATOM 2028 CD LYS A 133 -7.848 -9.536 8.857 1.00 4.54 C ATOM 2029 CE LYS A 133 -8.618 -9.326 7.558 1.00 24.34 C ATOM 2030 NZ LYS A 133 -9.920 -10.043 7.565 1.00 11.12 N ATOM 0 H LYS A 133 -4.192 -8.335 9.671 1.00 45.12 H new ATOM 0 HA LYS A 133 -3.509 -9.461 7.102 1.00 42.35 H new ATOM 0 HB2 LYS A 133 -5.986 -9.874 6.998 1.00 31.20 H new ATOM 0 HB3 LYS A 133 -5.223 -10.549 8.425 1.00 31.20 H new ATOM 0 HG2 LYS A 133 -6.087 -8.792 9.835 1.00 4.00 H new ATOM 0 HG3 LYS A 133 -6.596 -7.839 8.455 1.00 4.00 H new ATOM 0 HD2 LYS A 133 -7.719 -10.604 9.035 1.00 4.54 H new ATOM 0 HD3 LYS A 133 -8.428 -9.142 9.691 1.00 4.54 H new ATOM 0 HE2 LYS A 133 -8.791 -8.261 7.406 1.00 24.34 H new ATOM 0 HE3 LYS A 133 -8.016 -9.674 6.719 1.00 24.34 H new ATOM 0 HZ1 LYS A 133 -10.413 -9.876 6.665 1.00 11.12 H new ATOM 0 HZ2 LYS A 133 -9.754 -11.063 7.684 1.00 11.12 H new ATOM 0 HZ3 LYS A 133 -10.505 -9.693 8.351 1.00 11.12 H new ATOM 2044 N VAL A 134 -4.807 -7.938 5.449 1.00 41.33 N ATOM 2045 CA VAL A 134 -5.175 -6.920 4.465 1.00 32.00 C ATOM 2046 C VAL A 134 -6.636 -6.490 4.636 1.00 4.31 C ATOM 2047 O VAL A 134 -7.524 -7.327 4.830 1.00 32.43 O ATOM 2048 CB VAL A 134 -4.956 -7.437 3.018 1.00 73.01 C ATOM 2049 CG1 VAL A 134 -5.472 -6.433 1.988 1.00 34.40 C ATOM 2050 CG2 VAL A 134 -3.480 -7.740 2.778 1.00 74.42 C ATOM 0 H VAL A 134 -4.756 -8.884 5.072 1.00 41.33 H new ATOM 0 HA VAL A 134 -4.530 -6.058 4.635 1.00 32.00 H new ATOM 0 HB VAL A 134 -5.525 -8.359 2.900 1.00 73.01 H new ATOM 0 HG11 VAL A 134 -5.305 -6.823 0.984 1.00 34.40 H new ATOM 0 HG12 VAL A 134 -6.539 -6.271 2.141 1.00 34.40 H new ATOM 0 HG13 VAL A 134 -4.941 -5.488 2.103 1.00 34.40 H new ATOM 0 HG21 VAL A 134 -3.344 -8.101 1.759 1.00 74.42 H new ATOM 0 HG22 VAL A 134 -2.894 -6.832 2.922 1.00 74.42 H new ATOM 0 HG23 VAL A 134 -3.146 -8.503 3.481 1.00 74.42 H new ATOM 2060 N LEU A 135 -6.882 -5.185 4.570 1.00 32.43 N ATOM 2061 CA LEU A 135 -8.246 -4.660 4.675 1.00 23.14 C ATOM 2062 C LEU A 135 -9.144 -5.218 3.566 1.00 4.00 C ATOM 2063 O LEU A 135 -8.744 -5.282 2.408 1.00 3.53 O ATOM 2064 CB LEU A 135 -8.242 -3.120 4.621 1.00 34.21 C ATOM 2065 CG LEU A 135 -7.961 -2.419 5.956 1.00 63.02 C ATOM 2066 CD1 LEU A 135 -7.920 -0.906 5.777 1.00 72.11 C ATOM 2067 CD2 LEU A 135 -9.016 -2.803 6.991 1.00 72.24 C ATOM 0 H LEU A 135 -6.162 -4.473 4.445 1.00 32.43 H new ATOM 0 HA LEU A 135 -8.648 -4.980 5.636 1.00 23.14 H new ATOM 0 HB2 LEU A 135 -7.493 -2.800 3.897 1.00 34.21 H new ATOM 0 HB3 LEU A 135 -9.210 -2.783 4.249 1.00 34.21 H new ATOM 0 HG LEU A 135 -6.985 -2.747 6.313 1.00 63.02 H new ATOM 0 HD11 LEU A 135 -7.719 -0.431 6.737 1.00 72.11 H new ATOM 0 HD12 LEU A 135 -7.132 -0.644 5.071 1.00 72.11 H new ATOM 0 HD13 LEU A 135 -8.880 -0.559 5.394 1.00 72.11 H new ATOM 0 HD21 LEU A 135 -8.803 -2.297 7.933 1.00 72.24 H new ATOM 0 HD22 LEU A 135 -10.002 -2.504 6.634 1.00 72.24 H new ATOM 0 HD23 LEU A 135 -8.998 -3.882 7.146 1.00 72.24 H new ATOM 2079 N SER A 136 -10.340 -5.666 3.930 1.00 11.13 N ATOM 2080 CA SER A 136 -11.358 -6.002 2.932 1.00 11.45 C ATOM 2081 C SER A 136 -11.970 -4.707 2.402 1.00 62.44 C ATOM 2082 O SER A 136 -12.128 -3.748 3.157 1.00 75.11 O ATOM 2083 CB SER A 136 -12.448 -6.906 3.534 1.00 42.22 C ATOM 2084 OG SER A 136 -13.329 -7.394 2.533 1.00 54.44 O ATOM 0 H SER A 136 -10.630 -5.805 4.898 1.00 11.13 H new ATOM 0 HA SER A 136 -10.892 -6.553 2.115 1.00 11.45 H new ATOM 0 HB2 SER A 136 -11.982 -7.745 4.051 1.00 42.22 H new ATOM 0 HB3 SER A 136 -13.015 -6.348 4.279 1.00 42.22 H new ATOM 0 HG SER A 136 -14.009 -7.966 2.946 1.00 54.44 H new ATOM 2090 N VAL A 137 -12.301 -4.668 1.114 1.00 35.02 N ATOM 2091 CA VAL A 137 -12.793 -3.439 0.473 1.00 31.33 C ATOM 2092 C VAL A 137 -13.906 -2.766 1.299 1.00 34.44 C ATOM 2093 O VAL A 137 -13.932 -1.544 1.455 1.00 30.42 O ATOM 2094 CB VAL A 137 -13.305 -3.723 -0.962 1.00 14.42 C ATOM 2095 CG1 VAL A 137 -13.722 -2.429 -1.648 1.00 2.40 C ATOM 2096 CG2 VAL A 137 -12.241 -4.452 -1.784 1.00 41.40 C ATOM 0 H VAL A 137 -12.239 -5.471 0.488 1.00 35.02 H new ATOM 0 HA VAL A 137 -11.947 -2.754 0.419 1.00 31.33 H new ATOM 0 HB VAL A 137 -14.179 -4.370 -0.890 1.00 14.42 H new ATOM 0 HG11 VAL A 137 -14.078 -2.649 -2.654 1.00 2.40 H new ATOM 0 HG12 VAL A 137 -14.520 -1.955 -1.076 1.00 2.40 H new ATOM 0 HG13 VAL A 137 -12.867 -1.756 -1.705 1.00 2.40 H new ATOM 0 HG21 VAL A 137 -12.623 -4.641 -2.787 1.00 41.40 H new ATOM 0 HG22 VAL A 137 -11.344 -3.836 -1.847 1.00 41.40 H new ATOM 0 HG23 VAL A 137 -11.997 -5.400 -1.304 1.00 41.40 H new ATOM 2106 N LYS A 138 -14.803 -3.580 1.839 1.00 54.03 N ATOM 2107 CA LYS A 138 -15.883 -3.096 2.706 1.00 2.40 C ATOM 2108 C LYS A 138 -15.351 -2.655 4.086 1.00 11.13 C ATOM 2109 O LYS A 138 -15.761 -1.624 4.620 1.00 50.31 O ATOM 2110 CB LYS A 138 -16.936 -4.196 2.871 1.00 34.54 C ATOM 2111 CG LYS A 138 -18.174 -3.764 3.652 1.00 34.04 C ATOM 2112 CD LYS A 138 -19.134 -4.928 3.876 1.00 60.11 C ATOM 2113 CE LYS A 138 -19.581 -5.559 2.560 1.00 35.44 C ATOM 2114 NZ LYS A 138 -20.515 -6.690 2.780 1.00 64.43 N ATOM 0 H LYS A 138 -14.808 -4.590 1.693 1.00 54.03 H new ATOM 0 HA LYS A 138 -16.334 -2.222 2.235 1.00 2.40 H new ATOM 0 HB2 LYS A 138 -17.244 -4.539 1.884 1.00 34.54 H new ATOM 0 HB3 LYS A 138 -16.480 -5.047 3.376 1.00 34.54 H new ATOM 0 HG2 LYS A 138 -17.872 -3.351 4.614 1.00 34.04 H new ATOM 0 HG3 LYS A 138 -18.686 -2.969 3.111 1.00 34.04 H new ATOM 0 HD2 LYS A 138 -18.650 -5.684 4.495 1.00 60.11 H new ATOM 0 HD3 LYS A 138 -20.008 -4.577 4.426 1.00 60.11 H new ATOM 0 HE2 LYS A 138 -20.065 -4.804 1.941 1.00 35.44 H new ATOM 0 HE3 LYS A 138 -18.708 -5.910 2.010 1.00 35.44 H new ATOM 0 HZ1 LYS A 138 -20.796 -7.092 1.863 1.00 64.43 H new ATOM 0 HZ2 LYS A 138 -20.045 -7.422 3.350 1.00 64.43 H new ATOM 0 HZ3 LYS A 138 -21.360 -6.350 3.282 1.00 64.43 H new ATOM 2128 N GLU A 139 -14.422 -3.434 4.649 1.00 21.15 N ATOM 2129 CA GLU A 139 -13.812 -3.112 5.944 1.00 10.43 C ATOM 2130 C GLU A 139 -13.132 -1.737 5.881 1.00 71.52 C ATOM 2131 O GLU A 139 -13.160 -0.954 6.834 1.00 33.13 O ATOM 2132 CB GLU A 139 -12.781 -4.195 6.301 1.00 54.21 C ATOM 2133 CG GLU A 139 -12.145 -4.036 7.677 1.00 24.11 C ATOM 2134 CD GLU A 139 -13.103 -4.358 8.809 1.00 65.51 C ATOM 2135 OE1 GLU A 139 -13.847 -3.459 9.247 1.00 52.14 O ATOM 2136 OE2 GLU A 139 -13.120 -5.521 9.267 1.00 44.44 O ATOM 0 H GLU A 139 -14.075 -4.295 4.227 1.00 21.15 H new ATOM 0 HA GLU A 139 -14.586 -3.081 6.711 1.00 10.43 H new ATOM 0 HB2 GLU A 139 -13.265 -5.170 6.249 1.00 54.21 H new ATOM 0 HB3 GLU A 139 -11.993 -4.190 5.548 1.00 54.21 H new ATOM 0 HG2 GLU A 139 -11.275 -4.688 7.747 1.00 24.11 H new ATOM 0 HG3 GLU A 139 -11.787 -3.013 7.790 1.00 24.11 H new ATOM 2143 N LEU A 140 -12.533 -1.459 4.731 1.00 1.13 N ATOM 2144 CA LEU A 140 -11.894 -0.180 4.459 1.00 43.03 C ATOM 2145 C LEU A 140 -12.917 0.969 4.503 1.00 70.33 C ATOM 2146 O LEU A 140 -12.624 2.056 5.004 1.00 52.31 O ATOM 2147 CB LEU A 140 -11.207 -0.263 3.093 1.00 13.11 C ATOM 2148 CG LEU A 140 -9.983 0.636 2.928 1.00 61.51 C ATOM 2149 CD1 LEU A 140 -9.086 0.118 1.819 1.00 52.12 C ATOM 2150 CD2 LEU A 140 -10.393 2.072 2.649 1.00 71.41 C ATOM 0 H LEU A 140 -12.477 -2.120 3.956 1.00 1.13 H new ATOM 0 HA LEU A 140 -11.150 0.032 5.227 1.00 43.03 H new ATOM 0 HB2 LEU A 140 -10.906 -1.296 2.917 1.00 13.11 H new ATOM 0 HB3 LEU A 140 -11.934 -0.007 2.322 1.00 13.11 H new ATOM 0 HG LEU A 140 -9.426 0.618 3.865 1.00 61.51 H new ATOM 0 HD11 LEU A 140 -8.220 0.772 1.717 1.00 52.12 H new ATOM 0 HD12 LEU A 140 -8.753 -0.891 2.062 1.00 52.12 H new ATOM 0 HD13 LEU A 140 -9.640 0.101 0.881 1.00 52.12 H new ATOM 0 HD21 LEU A 140 -9.502 2.689 2.536 1.00 71.41 H new ATOM 0 HD22 LEU A 140 -10.980 2.111 1.732 1.00 71.41 H new ATOM 0 HD23 LEU A 140 -10.992 2.447 3.479 1.00 71.41 H new ATOM 2162 N LEU A 141 -14.128 0.716 3.995 1.00 13.24 N ATOM 2163 CA LEU A 141 -15.212 1.706 4.058 1.00 73.14 C ATOM 2164 C LEU A 141 -15.519 2.059 5.522 1.00 43.54 C ATOM 2165 O LEU A 141 -15.731 3.221 5.873 1.00 43.25 O ATOM 2166 CB LEU A 141 -16.486 1.168 3.382 1.00 63.42 C ATOM 2167 CG LEU A 141 -16.301 0.576 1.975 1.00 25.23 C ATOM 2168 CD1 LEU A 141 -17.639 0.108 1.403 1.00 45.30 C ATOM 2169 CD2 LEU A 141 -15.633 1.579 1.040 1.00 71.24 C ATOM 0 H LEU A 141 -14.383 -0.160 3.538 1.00 13.24 H new ATOM 0 HA LEU A 141 -14.885 2.601 3.528 1.00 73.14 H new ATOM 0 HB2 LEU A 141 -16.918 0.401 4.024 1.00 63.42 H new ATOM 0 HB3 LEU A 141 -17.212 1.979 3.321 1.00 63.42 H new ATOM 0 HG LEU A 141 -15.645 -0.290 2.060 1.00 25.23 H new ATOM 0 HD11 LEU A 141 -17.484 -0.307 0.407 1.00 45.30 H new ATOM 0 HD12 LEU A 141 -18.065 -0.657 2.053 1.00 45.30 H new ATOM 0 HD13 LEU A 141 -18.324 0.954 1.341 1.00 45.30 H new ATOM 0 HD21 LEU A 141 -15.515 1.133 0.052 1.00 71.24 H new ATOM 0 HD22 LEU A 141 -16.252 2.473 0.963 1.00 71.24 H new ATOM 0 HD23 LEU A 141 -14.654 1.849 1.436 1.00 71.24 H new