USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 0 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 58 THR OG1 : rot 176:sc= 1.04 USER MOD Set 1.2: A 61 SER OG : rot -177:sc= 0.952 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.501 K(o=0.5,f=-0.38) USER MOD Set 3.1: A 1 GLY N :NH3+ 147:sc= 1.25 (180deg=0) USER MOD Set 3.2: A 18 THR OG1 : rot -66:sc= 2.16 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.215 K(o=0.21,f=-10!) USER MOD Single : A 35 GLN : amide:sc= -0.0747 K(o=-0.075,f=-0.84) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0.99 (180deg=0.934) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0346) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.3!) USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.999 -4.542 0.089 1.00 0.00 N ATOM 2 CA GLY A 1 3.886 -5.405 -0.269 1.00 0.00 C ATOM 3 C GLY A 1 2.648 -4.582 -0.627 1.00 0.00 C ATOM 4 O GLY A 1 1.984 -4.037 0.255 1.00 0.00 O ATOM 0 H1 GLY A 1 5.581 -5.009 0.814 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.579 -4.356 -0.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.635 -3.643 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.166 -6.034 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.656 -6.072 0.562 1.00 0.00 H new ATOM 5 N GLU A 2 2.373 -4.517 -1.921 1.00 0.00 N ATOM 6 CA GLU A 2 1.224 -3.772 -2.406 1.00 0.00 C ATOM 7 C GLU A 2 0.886 -4.190 -3.839 1.00 0.00 C ATOM 8 O GLU A 2 1.775 -4.546 -4.611 1.00 0.00 O ATOM 9 CB GLU A 2 1.472 -2.264 -2.319 1.00 0.00 C ATOM 10 CG GLU A 2 2.772 -1.880 -3.028 1.00 0.00 C ATOM 11 CD GLU A 2 2.949 -0.361 -3.062 1.00 0.00 C ATOM 12 OE1 GLU A 2 3.433 0.229 -2.084 1.00 0.00 O ATOM 13 OE2 GLU A 2 2.564 0.209 -4.154 1.00 0.00 O ATOM 0 H GLU A 2 2.927 -4.968 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 2 0.370 -4.004 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.636 -1.728 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.520 -1.960 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.619 -2.337 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.765 -2.272 -4.045 1.00 0.00 H new ATOM 14 N GLU A 3 -0.401 -4.131 -4.150 1.00 0.00 N ATOM 15 CA GLU A 3 -0.861 -4.456 -5.489 1.00 0.00 C ATOM 16 C GLU A 3 -0.181 -5.731 -5.991 1.00 0.00 C ATOM 17 O GLU A 3 0.233 -5.805 -7.146 1.00 0.00 O ATOM 18 CB GLU A 3 -0.618 -3.290 -6.451 1.00 0.00 C ATOM 19 CG GLU A 3 -1.825 -3.071 -7.364 1.00 0.00 C ATOM 20 CD GLU A 3 -2.067 -4.290 -8.258 1.00 0.00 C ATOM 21 OE1 GLU A 3 -1.356 -4.325 -9.333 1.00 0.00 O ATOM 22 OE2 GLU A 3 -2.896 -5.148 -7.923 1.00 0.00 O ATOM 0 H GLU A 3 -1.139 -3.863 -3.498 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.936 -4.633 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -0.418 -2.381 -5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.267 -3.490 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.711 -2.877 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.662 -2.189 -7.983 1.00 0.00 H new ATOM 23 N CYS A 4 -0.086 -6.704 -5.096 1.00 0.00 N ATOM 24 CA CYS A 4 0.539 -7.972 -5.431 1.00 0.00 C ATOM 25 C CYS A 4 -0.227 -8.592 -6.602 1.00 0.00 C ATOM 26 O CYS A 4 -1.437 -8.792 -6.519 1.00 0.00 O ATOM 27 CB CYS A 4 0.597 -8.911 -4.225 1.00 0.00 C ATOM 28 SG CYS A 4 1.945 -8.557 -3.039 1.00 0.00 S ATOM 0 H CYS A 4 -0.432 -6.639 -4.139 1.00 0.00 H new ATOM 0 HA CYS A 4 1.575 -7.802 -5.726 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -0.355 -8.860 -3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 4 0.708 -9.934 -4.584 1.00 0.00 H new ATOM 29 N ASP A 5 0.510 -8.877 -7.665 1.00 0.00 N ATOM 30 CA ASP A 5 -0.027 -9.672 -8.757 1.00 0.00 C ATOM 31 C ASP A 5 1.084 -10.546 -9.340 1.00 0.00 C ATOM 32 O ASP A 5 1.044 -10.906 -10.516 1.00 0.00 O ATOM 33 CB ASP A 5 -0.563 -8.778 -9.877 1.00 0.00 C ATOM 34 CG ASP A 5 -1.533 -9.461 -10.842 1.00 0.00 C ATOM 35 OD1 ASP A 5 -2.717 -9.655 -10.527 1.00 0.00 O ATOM 36 OD2 ASP A 5 -1.022 -9.807 -11.975 1.00 0.00 O ATOM 0 H ASP A 5 1.475 -8.572 -7.794 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.840 -10.282 -8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.064 -7.920 -9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.281 -8.391 -10.448 1.00 0.00 H new ATOM 37 N CYS A 6 2.051 -10.864 -8.492 1.00 0.00 N ATOM 38 CA CYS A 6 3.216 -11.612 -8.931 1.00 0.00 C ATOM 39 C CYS A 6 2.911 -13.104 -8.790 1.00 0.00 C ATOM 40 O CYS A 6 2.527 -13.564 -7.716 1.00 0.00 O ATOM 41 CB CYS A 6 4.472 -11.210 -8.155 1.00 0.00 C ATOM 42 SG CYS A 6 6.034 -11.906 -8.808 1.00 0.00 S ATOM 0 H CYS A 6 2.051 -10.617 -7.502 1.00 0.00 H new ATOM 0 HA CYS A 6 3.425 -11.383 -9.976 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.548 -10.123 -8.153 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.357 -11.524 -7.117 1.00 0.00 H new ATOM 43 N GLY A 7 3.094 -13.819 -9.891 1.00 0.00 N ATOM 44 CA GLY A 7 2.823 -15.247 -9.909 1.00 0.00 C ATOM 45 C GLY A 7 4.072 -16.046 -9.532 1.00 0.00 C ATOM 46 O GLY A 7 3.984 -17.042 -8.815 1.00 0.00 O ATOM 0 H GLY A 7 3.426 -13.436 -10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.016 -15.477 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.483 -15.544 -10.901 1.00 0.00 H new ATOM 47 N SER A 8 5.206 -15.581 -10.035 1.00 0.00 N ATOM 48 CA SER A 8 6.469 -16.254 -9.781 1.00 0.00 C ATOM 49 C SER A 8 7.586 -15.224 -9.608 1.00 0.00 C ATOM 50 O SER A 8 7.510 -14.124 -10.154 1.00 0.00 O ATOM 51 CB SER A 8 6.813 -17.225 -10.912 1.00 0.00 C ATOM 52 OG SER A 8 6.009 -18.401 -10.870 1.00 0.00 O ATOM 0 H SER A 8 5.277 -14.746 -10.617 1.00 0.00 H new ATOM 0 HA SER A 8 6.370 -16.830 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.676 -16.727 -11.872 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.865 -17.503 -10.844 1.00 0.00 H new ATOM 0 HG SER A 8 6.258 -18.994 -11.609 1.00 0.00 H new ATOM 53 N PRO A 9 8.623 -15.625 -8.826 1.00 0.00 N ATOM 54 CA PRO A 9 9.742 -14.740 -8.553 1.00 0.00 C ATOM 55 C PRO A 9 10.660 -14.625 -9.772 1.00 0.00 C ATOM 56 O PRO A 9 11.134 -13.537 -10.097 1.00 0.00 O ATOM 57 CB PRO A 9 10.435 -15.343 -7.342 1.00 0.00 C ATOM 58 CG PRO A 9 9.962 -16.785 -7.267 1.00 0.00 C ATOM 59 CD PRO A 9 8.759 -16.930 -8.183 1.00 0.00 C ATOM 0 HA PRO A 9 9.428 -13.717 -8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.519 -15.292 -7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.177 -14.799 -6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.758 -17.464 -7.572 1.00 0.00 H new ATOM 0 HG3 PRO A 9 9.695 -17.046 -6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.914 -17.720 -8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.862 -17.190 -7.621 1.00 0.00 H new ATOM 60 N SER A 10 10.884 -15.763 -10.414 1.00 0.00 N ATOM 61 CA SER A 10 11.737 -15.803 -11.590 1.00 0.00 C ATOM 62 C SER A 10 11.178 -14.880 -12.674 1.00 0.00 C ATOM 63 O SER A 10 11.925 -14.375 -13.510 1.00 0.00 O ATOM 64 CB SER A 10 11.869 -17.230 -12.124 1.00 0.00 C ATOM 65 OG SER A 10 12.698 -17.292 -13.282 1.00 0.00 O ATOM 0 H SER A 10 10.490 -16.664 -10.142 1.00 0.00 H new ATOM 0 HA SER A 10 12.730 -15.457 -11.305 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.284 -17.871 -11.346 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.880 -17.620 -12.365 1.00 0.00 H new ATOM 0 HG SER A 10 12.759 -18.220 -13.592 1.00 0.00 H new ATOM 66 N ASN A 11 9.868 -14.687 -12.623 1.00 0.00 N ATOM 67 CA ASN A 11 9.202 -13.819 -13.580 1.00 0.00 C ATOM 68 C ASN A 11 9.831 -12.425 -13.523 1.00 0.00 C ATOM 69 O ASN A 11 9.755 -11.748 -12.498 1.00 0.00 O ATOM 70 CB ASN A 11 7.713 -13.680 -13.256 1.00 0.00 C ATOM 71 CG ASN A 11 6.932 -13.178 -14.472 1.00 0.00 C ATOM 72 OD1 ASN A 11 7.465 -12.541 -15.365 1.00 0.00 O ATOM 73 ND2 ASN A 11 5.641 -13.499 -14.455 1.00 0.00 N ATOM 0 H ASN A 11 9.250 -15.116 -11.934 1.00 0.00 H new ATOM 0 HA ASN A 11 9.315 -14.260 -14.570 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.315 -14.643 -12.936 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.581 -12.988 -12.424 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.033 -13.209 -15.221 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.259 -14.035 -13.676 1.00 0.00 H new ATOM 74 N PRO A 12 10.453 -12.027 -14.664 1.00 0.00 N ATOM 75 CA PRO A 12 11.098 -10.727 -14.750 1.00 0.00 C ATOM 76 C PRO A 12 10.062 -9.610 -14.884 1.00 0.00 C ATOM 77 O PRO A 12 10.418 -8.435 -14.960 1.00 0.00 O ATOM 78 CB PRO A 12 12.023 -10.827 -15.953 1.00 0.00 C ATOM 79 CG PRO A 12 11.521 -12.008 -16.768 1.00 0.00 C ATOM 80 CD PRO A 12 10.559 -12.800 -15.898 1.00 0.00 C ATOM 0 HA PRO A 12 11.661 -10.475 -13.851 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.000 -9.909 -16.541 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.056 -10.979 -15.640 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.021 -11.662 -17.673 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.354 -12.635 -17.084 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.588 -12.911 -16.381 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.935 -13.805 -15.705 1.00 0.00 H new ATOM 81 N CYS A 13 8.801 -10.015 -14.909 1.00 0.00 N ATOM 82 CA CYS A 13 7.709 -9.058 -14.979 1.00 0.00 C ATOM 83 C CYS A 13 7.525 -8.437 -13.593 1.00 0.00 C ATOM 84 O CYS A 13 6.983 -7.340 -13.468 1.00 0.00 O ATOM 85 CB CYS A 13 6.421 -9.707 -15.490 1.00 0.00 C ATOM 86 SG CYS A 13 5.114 -8.528 -15.993 1.00 0.00 S ATOM 0 H CYS A 13 8.511 -10.992 -14.882 1.00 0.00 H new ATOM 0 HA CYS A 13 7.953 -8.275 -15.697 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.664 -10.343 -16.341 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.024 -10.357 -14.710 1.00 0.00 H new ATOM 87 N CYS A 14 7.986 -9.165 -12.587 1.00 0.00 N ATOM 88 CA CYS A 14 7.937 -8.672 -11.222 1.00 0.00 C ATOM 89 C CYS A 14 9.232 -7.908 -10.940 1.00 0.00 C ATOM 90 O CYS A 14 10.226 -8.084 -11.643 1.00 0.00 O ATOM 91 CB CYS A 14 7.713 -9.806 -10.218 1.00 0.00 C ATOM 92 SG CYS A 14 6.271 -10.874 -10.576 1.00 0.00 S ATOM 0 H CYS A 14 8.396 -10.093 -12.690 1.00 0.00 H new ATOM 0 HA CYS A 14 7.087 -7.999 -11.106 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.608 -10.427 -10.187 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.590 -9.374 -9.225 1.00 0.00 H new ATOM 93 N ASP A 15 9.179 -7.075 -9.911 1.00 0.00 N ATOM 94 CA ASP A 15 10.327 -6.265 -9.544 1.00 0.00 C ATOM 95 C ASP A 15 11.020 -6.889 -8.332 1.00 0.00 C ATOM 96 O ASP A 15 11.829 -6.237 -7.672 1.00 0.00 O ATOM 97 CB ASP A 15 9.900 -4.844 -9.166 1.00 0.00 C ATOM 98 CG ASP A 15 11.008 -3.793 -9.251 1.00 0.00 C ATOM 99 OD1 ASP A 15 11.489 -3.601 -10.433 1.00 0.00 O ATOM 100 OD2 ASP A 15 11.392 -3.186 -8.240 1.00 0.00 O ATOM 0 H ASP A 15 8.358 -6.944 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 15 10.999 -6.224 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.081 -4.541 -9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.509 -4.857 -8.149 1.00 0.00 H new ATOM 101 N ALA A 16 10.678 -8.142 -8.074 1.00 0.00 N ATOM 102 CA ALA A 16 11.281 -8.872 -6.972 1.00 0.00 C ATOM 103 C ALA A 16 11.771 -7.879 -5.917 1.00 0.00 C ATOM 104 O ALA A 16 12.976 -7.690 -5.747 1.00 0.00 O ATOM 105 CB ALA A 16 12.409 -9.760 -7.505 1.00 0.00 C ATOM 0 H ALA A 16 9.990 -8.671 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 16 10.549 -9.524 -6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.862 -10.308 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.004 -10.466 -8.230 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.165 -9.139 -7.986 1.00 0.00 H new ATOM 106 N ALA A 17 10.814 -7.271 -5.233 1.00 0.00 N ATOM 107 CA ALA A 17 11.133 -6.284 -4.215 1.00 0.00 C ATOM 108 C ALA A 17 9.954 -6.157 -3.248 1.00 0.00 C ATOM 109 O ALA A 17 10.084 -6.458 -2.063 1.00 0.00 O ATOM 110 CB ALA A 17 11.482 -4.954 -4.886 1.00 0.00 C ATOM 0 H ALA A 17 9.817 -7.442 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 17 12.003 -6.596 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 17 11.721 -4.213 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.343 -5.092 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.631 -4.608 -5.473 1.00 0.00 H new ATOM 111 N THR A 18 8.830 -5.710 -3.790 1.00 0.00 N ATOM 112 CA THR A 18 7.653 -5.462 -2.974 1.00 0.00 C ATOM 113 C THR A 18 6.449 -6.226 -3.529 1.00 0.00 C ATOM 114 O THR A 18 5.306 -5.813 -3.341 1.00 0.00 O ATOM 115 CB THR A 18 7.434 -3.949 -2.909 1.00 0.00 C ATOM 116 OG1 THR A 18 6.177 -3.808 -2.251 1.00 0.00 O ATOM 117 CG2 THR A 18 7.203 -3.330 -4.289 1.00 0.00 C ATOM 0 H THR A 18 8.710 -5.513 -4.784 1.00 0.00 H new ATOM 0 HA THR A 18 7.792 -5.830 -1.957 1.00 0.00 H new ATOM 0 HB THR A 18 8.298 -3.478 -2.440 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.468 -4.176 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.053 -2.255 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.071 -3.516 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.320 -3.777 -4.745 1.00 0.00 H new ATOM 118 N CYS A 19 6.748 -7.328 -4.202 1.00 0.00 N ATOM 119 CA CYS A 19 5.710 -8.256 -4.617 1.00 0.00 C ATOM 120 C CYS A 19 4.845 -7.567 -5.675 1.00 0.00 C ATOM 121 O CYS A 19 3.775 -8.064 -6.028 1.00 0.00 O ATOM 122 CB CYS A 19 4.878 -8.743 -3.429 1.00 0.00 C ATOM 123 SG CYS A 19 3.450 -9.797 -3.872 1.00 0.00 S ATOM 0 H CYS A 19 7.694 -7.599 -4.470 1.00 0.00 H new ATOM 0 HA CYS A 19 6.167 -9.148 -5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.527 -9.300 -2.753 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.514 -7.875 -2.878 1.00 0.00 H new ATOM 124 N LYS A 20 5.338 -6.433 -6.150 1.00 0.00 N ATOM 125 CA LYS A 20 4.576 -5.616 -7.080 1.00 0.00 C ATOM 126 C LYS A 20 5.276 -5.614 -8.440 1.00 0.00 C ATOM 127 O LYS A 20 6.456 -5.947 -8.537 1.00 0.00 O ATOM 128 CB LYS A 20 4.348 -4.218 -6.503 1.00 0.00 C ATOM 129 CG LYS A 20 3.135 -3.549 -7.152 1.00 0.00 C ATOM 130 CD LYS A 20 3.569 -2.469 -8.145 1.00 0.00 C ATOM 131 CE LYS A 20 2.394 -2.017 -9.013 1.00 0.00 C ATOM 132 NZ LYS A 20 2.883 -1.410 -10.272 1.00 0.00 N ATOM 0 H LYS A 20 6.256 -6.060 -5.908 1.00 0.00 H new ATOM 0 HA LYS A 20 3.582 -6.038 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.198 -4.285 -5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.235 -3.605 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.533 -4.299 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.504 -3.107 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.975 -1.615 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.368 -2.853 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.752 -2.868 -9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.787 -1.296 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.072 -1.109 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.477 -0.585 -10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.443 -2.109 -10.800 1.00 0.00 H new ATOM 133 N LEU A 21 4.517 -5.236 -9.460 1.00 0.00 N ATOM 134 CA LEU A 21 5.010 -5.307 -10.825 1.00 0.00 C ATOM 135 C LEU A 21 5.990 -4.158 -11.069 1.00 0.00 C ATOM 136 O LEU A 21 6.279 -3.380 -10.162 1.00 0.00 O ATOM 137 CB LEU A 21 3.842 -5.339 -11.813 1.00 0.00 C ATOM 138 CG LEU A 21 2.760 -6.386 -11.539 1.00 0.00 C ATOM 139 CD1 LEU A 21 3.378 -7.706 -11.074 1.00 0.00 C ATOM 140 CD2 LEU A 21 1.726 -5.856 -10.543 1.00 0.00 C ATOM 0 H LEU A 21 3.566 -4.880 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 21 5.560 -6.234 -10.985 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.373 -4.355 -11.823 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.242 -5.512 -12.812 1.00 0.00 H new ATOM 0 HG LEU A 21 2.236 -6.588 -12.473 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.587 -8.432 -10.886 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.045 -8.088 -11.847 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.943 -7.540 -10.157 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.968 -6.619 -10.365 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.220 -5.609 -9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.253 -4.962 -10.950 1.00 0.00 H new ATOM 141 N ARG A 22 6.473 -4.086 -12.302 1.00 0.00 N ATOM 142 CA ARG A 22 7.338 -2.991 -12.704 1.00 0.00 C ATOM 143 C ARG A 22 6.512 -1.726 -12.951 1.00 0.00 C ATOM 144 O ARG A 22 5.288 -1.791 -13.057 1.00 0.00 O ATOM 145 CB ARG A 22 8.116 -3.340 -13.973 1.00 0.00 C ATOM 146 CG ARG A 22 9.540 -3.787 -13.638 1.00 0.00 C ATOM 147 CD ARG A 22 9.539 -5.161 -12.965 1.00 0.00 C ATOM 148 NE ARG A 22 10.531 -6.045 -13.618 1.00 0.00 N ATOM 149 CZ ARG A 22 11.828 -6.091 -13.288 1.00 0.00 C ATOM 150 NH1 ARG A 22 12.340 -5.178 -12.451 1.00 0.00 N ATOM 151 NH2 ARG A 22 12.616 -7.051 -13.793 1.00 0.00 N ATOM 0 H ARG A 22 6.281 -4.769 -13.035 1.00 0.00 H new ATOM 0 HA ARG A 22 8.047 -2.814 -11.895 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.600 -4.133 -14.514 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.149 -2.473 -14.633 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.137 -3.825 -14.549 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.009 -3.056 -12.980 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.774 -5.057 -11.906 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.546 -5.606 -13.029 1.00 0.00 H new ATOM 0 HE ARG A 22 10.206 -6.657 -14.366 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.742 -4.448 -12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.328 -5.214 -12.200 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.228 -7.747 -14.429 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.604 -7.085 -13.541 1.00 0.00 H new ATOM 152 N PRO A 23 7.234 -0.577 -13.041 1.00 0.00 N ATOM 153 CA PRO A 23 6.596 0.682 -13.388 1.00 0.00 C ATOM 154 C PRO A 23 6.263 0.735 -14.881 1.00 0.00 C ATOM 155 O PRO A 23 7.156 0.655 -15.723 1.00 0.00 O ATOM 156 CB PRO A 23 7.585 1.755 -12.962 1.00 0.00 C ATOM 157 CG PRO A 23 8.926 1.053 -12.821 1.00 0.00 C ATOM 158 CD PRO A 23 8.669 -0.445 -12.814 1.00 0.00 C ATOM 0 HA PRO A 23 5.638 0.820 -12.887 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.638 2.553 -13.702 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.283 2.213 -12.020 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.587 1.323 -13.645 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.422 1.360 -11.900 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.241 -0.948 -13.594 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.962 -0.892 -11.864 1.00 0.00 H new ATOM 159 N GLY A 24 4.976 0.869 -15.163 1.00 0.00 N ATOM 160 CA GLY A 24 4.488 0.722 -16.523 1.00 0.00 C ATOM 161 C GLY A 24 3.812 -0.636 -16.720 1.00 0.00 C ATOM 162 O GLY A 24 3.144 -0.861 -17.729 1.00 0.00 O ATOM 0 H GLY A 24 4.255 1.078 -14.472 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.780 1.520 -16.747 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.317 0.825 -17.223 1.00 0.00 H new ATOM 163 N ALA A 25 4.008 -1.507 -15.741 1.00 0.00 N ATOM 164 CA ALA A 25 3.388 -2.820 -15.772 1.00 0.00 C ATOM 165 C ALA A 25 2.350 -2.917 -14.653 1.00 0.00 C ATOM 166 O ALA A 25 2.450 -2.216 -13.647 1.00 0.00 O ATOM 167 CB ALA A 25 4.469 -3.898 -15.660 1.00 0.00 C ATOM 0 H ALA A 25 4.588 -1.329 -14.921 1.00 0.00 H new ATOM 0 HA ALA A 25 2.868 -2.976 -16.717 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.004 -4.883 -15.683 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.164 -3.805 -16.495 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.010 -3.774 -14.722 1.00 0.00 H new ATOM 168 N GLN A 26 1.376 -3.790 -14.865 1.00 0.00 N ATOM 169 CA GLN A 26 0.269 -3.919 -13.932 1.00 0.00 C ATOM 170 C GLN A 26 -0.207 -5.372 -13.870 1.00 0.00 C ATOM 171 O GLN A 26 -1.350 -5.638 -13.505 1.00 0.00 O ATOM 172 CB GLN A 26 -0.879 -2.981 -14.313 1.00 0.00 C ATOM 173 CG GLN A 26 -1.042 -1.867 -13.278 1.00 0.00 C ATOM 174 CD GLN A 26 -1.131 -2.441 -11.863 1.00 0.00 C ATOM 175 OE1 GLN A 26 -0.307 -2.175 -11.004 1.00 0.00 O ATOM 176 NE2 GLN A 26 -2.175 -3.241 -11.669 1.00 0.00 N ATOM 0 H GLN A 26 1.330 -4.415 -15.670 1.00 0.00 H new ATOM 0 HA GLN A 26 0.618 -3.630 -12.941 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.688 -2.546 -15.294 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.806 -3.548 -14.391 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.199 -1.179 -13.343 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.941 -1.291 -13.498 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.828 -3.422 -12.432 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.323 -3.674 -10.757 1.00 0.00 H new ATOM 177 N CYS A 27 0.695 -6.272 -14.232 1.00 0.00 N ATOM 178 CA CYS A 27 0.414 -7.694 -14.133 1.00 0.00 C ATOM 179 C CYS A 27 1.740 -8.454 -14.218 1.00 0.00 C ATOM 180 O CYS A 27 2.741 -7.910 -14.681 1.00 0.00 O ATOM 181 CB CYS A 27 -0.575 -8.151 -15.208 1.00 0.00 C ATOM 182 SG CYS A 27 0.194 -8.905 -16.688 1.00 0.00 S ATOM 0 H CYS A 27 1.621 -6.044 -14.594 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.065 -7.907 -13.177 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.263 -8.872 -14.766 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.170 -7.294 -15.522 1.00 0.00 H new ATOM 183 N ALA A 28 1.703 -9.697 -13.763 1.00 0.00 N ATOM 184 CA ALA A 28 2.786 -10.626 -14.036 1.00 0.00 C ATOM 185 C ALA A 28 2.284 -11.725 -14.975 1.00 0.00 C ATOM 186 O ALA A 28 3.034 -12.215 -15.820 1.00 0.00 O ATOM 187 CB ALA A 28 3.323 -11.186 -12.718 1.00 0.00 C ATOM 0 H ALA A 28 0.940 -10.083 -13.207 1.00 0.00 H new ATOM 0 HA ALA A 28 3.611 -10.118 -14.534 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.136 -11.883 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.693 -10.369 -12.099 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.523 -11.706 -12.191 1.00 0.00 H new ATOM 188 N ASP A 29 1.020 -12.079 -14.798 1.00 0.00 N ATOM 189 CA ASP A 29 0.425 -13.148 -15.583 1.00 0.00 C ATOM 190 C ASP A 29 -1.052 -13.288 -15.209 1.00 0.00 C ATOM 191 O ASP A 29 -1.442 -12.984 -14.082 1.00 0.00 O ATOM 192 CB ASP A 29 1.112 -14.486 -15.302 1.00 0.00 C ATOM 193 CG ASP A 29 1.277 -14.830 -13.821 1.00 0.00 C ATOM 194 OD1 ASP A 29 0.950 -14.024 -12.938 1.00 0.00 O ATOM 195 OD2 ASP A 29 1.772 -15.998 -13.585 1.00 0.00 O ATOM 0 H ASP A 29 0.391 -11.645 -14.123 1.00 0.00 H new ATOM 0 HA ASP A 29 0.542 -12.897 -16.637 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.539 -15.279 -15.782 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.097 -14.477 -15.769 1.00 0.00 H new ATOM 196 N GLY A 30 -1.833 -13.746 -16.176 1.00 0.00 N ATOM 197 CA GLY A 30 -3.256 -13.944 -15.957 1.00 0.00 C ATOM 198 C GLY A 30 -4.006 -14.039 -17.287 1.00 0.00 C ATOM 199 O GLY A 30 -3.468 -13.686 -18.335 1.00 0.00 O ATOM 0 H GLY A 30 -1.508 -13.986 -17.113 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.416 -14.854 -15.379 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.656 -13.118 -15.368 1.00 0.00 H new ATOM 200 N LEU A 31 -5.239 -14.519 -17.202 1.00 0.00 N ATOM 201 CA LEU A 31 -6.076 -14.649 -18.383 1.00 0.00 C ATOM 202 C LEU A 31 -6.511 -13.259 -18.850 1.00 0.00 C ATOM 203 O LEU A 31 -6.772 -13.052 -20.033 1.00 0.00 O ATOM 204 CB LEU A 31 -7.242 -15.601 -18.110 1.00 0.00 C ATOM 205 CG LEU A 31 -6.954 -17.090 -18.310 1.00 0.00 C ATOM 206 CD1 LEU A 31 -7.850 -17.946 -17.412 1.00 0.00 C ATOM 207 CD2 LEU A 31 -7.078 -17.481 -19.783 1.00 0.00 C ATOM 0 H LEU A 31 -5.678 -14.823 -16.333 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.514 -15.098 -19.202 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.575 -15.451 -17.083 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.072 -15.322 -18.758 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.923 -17.281 -18.013 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.626 -19.000 -17.573 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.668 -17.692 -16.368 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.896 -17.756 -17.655 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.868 -18.545 -19.896 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.090 -17.272 -20.131 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.365 -16.906 -20.373 1.00 0.00 H new ATOM 208 N CYS A 32 -6.577 -12.343 -17.894 1.00 0.00 N ATOM 209 CA CYS A 32 -6.934 -10.968 -18.201 1.00 0.00 C ATOM 210 C CYS A 32 -5.686 -10.099 -18.030 1.00 0.00 C ATOM 211 O CYS A 32 -5.769 -8.981 -17.524 1.00 0.00 O ATOM 212 CB CYS A 32 -8.094 -10.477 -17.331 1.00 0.00 C ATOM 213 SG CYS A 32 -9.688 -11.325 -17.631 1.00 0.00 S ATOM 0 H CYS A 32 -6.390 -12.526 -16.908 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.285 -10.902 -19.231 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.823 -10.603 -16.283 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.229 -9.409 -17.499 1.00 0.00 H new ATOM 214 N CYS A 33 -4.559 -10.646 -18.461 1.00 0.00 N ATOM 215 CA CYS A 33 -3.298 -9.928 -18.375 1.00 0.00 C ATOM 216 C CYS A 33 -2.504 -10.199 -19.655 1.00 0.00 C ATOM 217 O CYS A 33 -2.427 -11.337 -20.114 1.00 0.00 O ATOM 218 CB CYS A 33 -2.511 -10.317 -17.123 1.00 0.00 C ATOM 219 SG CYS A 33 -0.704 -10.474 -17.370 1.00 0.00 S ATOM 0 H CYS A 33 -4.492 -11.578 -18.871 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.490 -8.859 -18.286 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.694 -9.571 -16.349 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.896 -11.266 -16.749 1.00 0.00 H new ATOM 220 N ASP A 34 -1.934 -9.131 -20.196 1.00 0.00 N ATOM 221 CA ASP A 34 -1.082 -9.251 -21.367 1.00 0.00 C ATOM 222 C ASP A 34 0.018 -8.190 -21.302 1.00 0.00 C ATOM 223 O ASP A 34 -0.117 -7.193 -20.594 1.00 0.00 O ATOM 224 CB ASP A 34 -1.880 -9.027 -22.654 1.00 0.00 C ATOM 225 CG ASP A 34 -2.143 -10.287 -23.479 1.00 0.00 C ATOM 226 OD1 ASP A 34 -2.020 -11.416 -22.979 1.00 0.00 O ATOM 227 OD2 ASP A 34 -2.492 -10.075 -24.703 1.00 0.00 O ATOM 0 H ASP A 34 -2.046 -8.180 -19.845 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.659 -10.256 -21.375 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.837 -8.574 -22.396 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.344 -8.309 -23.275 1.00 0.00 H new ATOM 228 N GLN A 35 1.082 -8.439 -22.052 1.00 0.00 N ATOM 229 CA GLN A 35 2.228 -7.546 -22.046 1.00 0.00 C ATOM 230 C GLN A 35 2.378 -6.884 -20.676 1.00 0.00 C ATOM 231 O GLN A 35 2.368 -5.659 -20.569 1.00 0.00 O ATOM 232 CB GLN A 35 2.109 -6.495 -23.152 1.00 0.00 C ATOM 233 CG GLN A 35 0.696 -5.912 -23.205 1.00 0.00 C ATOM 234 CD GLN A 35 0.675 -4.599 -23.991 1.00 0.00 C ATOM 235 OE1 GLN A 35 0.591 -3.515 -23.436 1.00 0.00 O ATOM 236 NE2 GLN A 35 0.754 -4.756 -25.309 1.00 0.00 N ATOM 0 H GLN A 35 1.174 -9.247 -22.668 1.00 0.00 H new ATOM 0 HA GLN A 35 3.124 -8.135 -22.243 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.830 -5.696 -22.978 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.357 -6.944 -24.114 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.020 -6.629 -23.670 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.331 -5.740 -22.192 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.822 -5.692 -25.708 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.746 -3.940 -25.921 1.00 0.00 H new ATOM 237 N CYS A 36 2.513 -7.725 -19.660 1.00 0.00 N ATOM 238 CA CYS A 36 2.806 -7.240 -18.321 1.00 0.00 C ATOM 239 C CYS A 36 1.845 -6.092 -18.006 1.00 0.00 C ATOM 240 O CYS A 36 2.262 -5.049 -17.503 1.00 0.00 O ATOM 241 CB CYS A 36 4.269 -6.815 -18.181 1.00 0.00 C ATOM 242 SG CYS A 36 5.452 -8.194 -17.966 1.00 0.00 S ATOM 0 H CYS A 36 2.425 -8.738 -19.737 1.00 0.00 H new ATOM 0 HA CYS A 36 2.659 -8.044 -17.599 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.553 -6.246 -19.066 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.357 -6.143 -17.327 1.00 0.00 H new ATOM 243 N ARG A 37 0.577 -6.322 -18.313 1.00 0.00 N ATOM 244 CA ARG A 37 -0.454 -5.341 -18.023 1.00 0.00 C ATOM 245 C ARG A 37 -1.840 -5.975 -18.142 1.00 0.00 C ATOM 246 O ARG A 37 -1.960 -7.192 -18.273 1.00 0.00 O ATOM 247 CB ARG A 37 -0.363 -4.148 -18.977 1.00 0.00 C ATOM 248 CG ARG A 37 -0.081 -2.854 -18.212 1.00 0.00 C ATOM 249 CD ARG A 37 0.536 -1.797 -19.130 1.00 0.00 C ATOM 250 NE ARG A 37 -0.338 -1.573 -20.304 1.00 0.00 N ATOM 251 CZ ARG A 37 0.093 -1.102 -21.481 1.00 0.00 C ATOM 252 NH1 ARG A 37 1.334 -0.608 -21.593 1.00 0.00 N ATOM 253 NH2 ARG A 37 -0.718 -1.124 -22.548 1.00 0.00 N ATOM 0 H ARG A 37 0.240 -7.175 -18.760 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.299 -4.989 -17.003 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.427 -4.322 -19.708 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.296 -4.050 -19.533 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.007 -2.472 -17.783 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.595 -3.058 -17.381 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.671 -0.864 -18.584 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.524 -2.120 -19.458 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.330 -1.791 -20.210 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.951 -0.591 -20.781 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.661 -0.250 -22.490 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.663 -1.499 -22.463 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.391 -0.765 -23.445 1.00 0.00 H new ATOM 254 N PHE A 38 -2.853 -5.122 -18.092 1.00 0.00 N ATOM 255 CA PHE A 38 -4.219 -5.570 -18.306 1.00 0.00 C ATOM 256 C PHE A 38 -4.521 -5.718 -19.798 1.00 0.00 C ATOM 257 O PHE A 38 -3.729 -5.294 -20.640 1.00 0.00 O ATOM 258 CB PHE A 38 -5.139 -4.498 -17.716 1.00 0.00 C ATOM 259 CG PHE A 38 -5.173 -4.480 -16.186 1.00 0.00 C ATOM 260 CD1 PHE A 38 -5.591 -5.580 -15.503 1.00 0.00 C ATOM 261 CD2 PHE A 38 -4.784 -3.365 -15.510 1.00 0.00 C ATOM 262 CE1 PHE A 38 -5.622 -5.563 -14.083 1.00 0.00 C ATOM 263 CE2 PHE A 38 -4.816 -3.349 -14.090 1.00 0.00 C ATOM 264 CZ PHE A 38 -5.234 -4.448 -13.407 1.00 0.00 C ATOM 0 H PHE A 38 -2.755 -4.124 -17.907 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.370 -6.541 -17.834 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.816 -3.520 -18.074 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.151 -4.656 -18.090 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.899 -6.465 -16.040 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.451 -2.493 -16.053 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.954 -6.436 -13.540 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.508 -2.464 -13.553 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.258 -4.436 -12.327 1.00 0.00 H new ATOM 265 N LYS A 39 -5.666 -6.321 -20.081 1.00 0.00 N ATOM 266 CA LYS A 39 -6.197 -6.321 -21.434 1.00 0.00 C ATOM 267 C LYS A 39 -7.665 -5.890 -21.401 1.00 0.00 C ATOM 268 O LYS A 39 -8.323 -5.998 -20.367 1.00 0.00 O ATOM 269 CB LYS A 39 -5.969 -7.680 -22.098 1.00 0.00 C ATOM 270 CG LYS A 39 -6.292 -8.823 -21.134 1.00 0.00 C ATOM 271 CD LYS A 39 -6.527 -10.130 -21.892 1.00 0.00 C ATOM 272 CE LYS A 39 -5.230 -10.931 -22.021 1.00 0.00 C ATOM 273 NZ LYS A 39 -5.517 -12.316 -22.461 1.00 0.00 N ATOM 0 H LYS A 39 -6.241 -6.813 -19.397 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.666 -5.597 -22.052 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.593 -7.763 -22.988 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.933 -7.759 -22.427 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.472 -8.951 -20.428 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.178 -8.572 -20.551 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.276 -10.726 -21.372 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.924 -9.913 -22.883 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.566 -10.446 -22.737 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.709 -10.948 -21.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.624 -12.805 -22.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.018 -12.824 -21.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.111 -12.293 -23.314 1.00 0.00 H new ATOM 274 N LYS A 40 -8.134 -5.413 -22.544 1.00 0.00 N ATOM 275 CA LYS A 40 -9.399 -4.699 -22.594 1.00 0.00 C ATOM 276 C LYS A 40 -10.547 -5.708 -22.654 1.00 0.00 C ATOM 277 O LYS A 40 -10.332 -6.882 -22.953 1.00 0.00 O ATOM 278 CB LYS A 40 -9.402 -3.695 -23.748 1.00 0.00 C ATOM 279 CG LYS A 40 -10.018 -2.362 -23.313 1.00 0.00 C ATOM 280 CD LYS A 40 -9.001 -1.511 -22.551 1.00 0.00 C ATOM 281 CE LYS A 40 -9.690 -0.357 -21.822 1.00 0.00 C ATOM 282 NZ LYS A 40 -10.316 0.570 -22.791 1.00 0.00 N ATOM 0 H LYS A 40 -7.661 -5.507 -23.443 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.540 -4.109 -21.688 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.382 -3.532 -24.096 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.964 -4.103 -24.588 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.370 -1.817 -24.189 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.887 -2.548 -22.682 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.467 -2.133 -21.833 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.259 -1.116 -23.245 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.448 -0.749 -21.143 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.964 0.181 -21.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.645 1.422 -22.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.619 0.839 -23.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.125 0.101 -23.247 1.00 0.00 H new ATOM 283 N LYS A 41 -11.742 -5.215 -22.364 1.00 0.00 N ATOM 284 CA LYS A 41 -12.942 -6.019 -22.523 1.00 0.00 C ATOM 285 C LYS A 41 -12.990 -6.579 -23.947 1.00 0.00 C ATOM 286 O LYS A 41 -12.238 -6.142 -24.816 1.00 0.00 O ATOM 287 CB LYS A 41 -14.184 -5.211 -22.138 1.00 0.00 C ATOM 288 CG LYS A 41 -15.386 -6.128 -21.913 1.00 0.00 C ATOM 289 CD LYS A 41 -16.334 -5.542 -20.864 1.00 0.00 C ATOM 290 CE LYS A 41 -16.975 -4.247 -21.367 1.00 0.00 C ATOM 291 NZ LYS A 41 -17.925 -3.716 -20.365 1.00 0.00 N ATOM 0 H LYS A 41 -11.905 -4.269 -22.020 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.922 -6.872 -21.844 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.984 -4.639 -21.232 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.413 -4.492 -22.925 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.920 -6.270 -22.852 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.043 -7.111 -21.590 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.111 -6.268 -20.625 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.786 -5.347 -19.942 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.201 -3.507 -21.571 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.495 -4.433 -22.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.351 -2.837 -20.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.673 -4.417 -20.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.420 -3.520 -19.477 1.00 0.00 H new ATOM 292 N ARG A 42 -13.884 -7.538 -24.141 1.00 0.00 N ATOM 293 CA ARG A 42 -14.047 -8.155 -25.446 1.00 0.00 C ATOM 294 C ARG A 42 -12.916 -9.152 -25.706 1.00 0.00 C ATOM 295 O ARG A 42 -12.644 -9.503 -26.854 1.00 0.00 O ATOM 296 CB ARG A 42 -14.056 -7.103 -26.556 1.00 0.00 C ATOM 297 CG ARG A 42 -14.895 -7.570 -27.747 1.00 0.00 C ATOM 298 CD ARG A 42 -14.359 -6.989 -29.057 1.00 0.00 C ATOM 299 NE ARG A 42 -14.334 -5.512 -28.983 1.00 0.00 N ATOM 300 CZ ARG A 42 -13.621 -4.730 -29.805 1.00 0.00 C ATOM 301 NH1 ARG A 42 -13.026 -5.258 -30.884 1.00 0.00 N ATOM 302 NH2 ARG A 42 -13.503 -3.420 -29.550 1.00 0.00 N ATOM 0 H ARG A 42 -14.503 -7.902 -23.416 1.00 0.00 H new ATOM 0 HA ARG A 42 -15.004 -8.677 -25.449 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -14.456 -6.165 -26.170 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.035 -6.904 -26.882 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.887 -8.659 -27.798 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.932 -7.265 -27.607 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.355 -7.369 -29.249 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.986 -7.309 -29.890 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.895 -5.060 -28.261 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.116 -6.255 -31.079 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.483 -4.663 -31.510 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.956 -3.017 -28.730 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.960 -2.825 -30.176 1.00 0.00 H new ATOM 303 N THR A 43 -12.286 -9.580 -24.622 1.00 0.00 N ATOM 304 CA THR A 43 -11.288 -10.633 -24.702 1.00 0.00 C ATOM 305 C THR A 43 -11.722 -11.843 -23.873 1.00 0.00 C ATOM 306 O THR A 43 -12.257 -11.689 -22.776 1.00 0.00 O ATOM 307 CB THR A 43 -9.945 -10.047 -24.264 1.00 0.00 C ATOM 308 OG1 THR A 43 -8.979 -10.932 -24.825 1.00 0.00 O ATOM 309 CG2 THR A 43 -9.721 -10.160 -22.755 1.00 0.00 C ATOM 0 H THR A 43 -12.447 -9.216 -23.683 1.00 0.00 H new ATOM 0 HA THR A 43 -11.181 -10.999 -25.723 1.00 0.00 H new ATOM 0 HB THR A 43 -9.893 -9.000 -24.562 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.079 -10.624 -24.591 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.753 -9.729 -22.498 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.509 -9.622 -22.229 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.740 -11.210 -22.462 1.00 0.00 H new ATOM 310 N ILE A 44 -11.477 -13.020 -24.430 1.00 0.00 N ATOM 311 CA ILE A 44 -11.978 -14.249 -23.835 1.00 0.00 C ATOM 312 C ILE A 44 -11.070 -14.654 -22.672 1.00 0.00 C ATOM 313 O ILE A 44 -9.881 -14.898 -22.864 1.00 0.00 O ATOM 314 CB ILE A 44 -12.133 -15.334 -24.901 1.00 0.00 C ATOM 315 CG1 ILE A 44 -13.022 -14.853 -26.050 1.00 0.00 C ATOM 316 CG2 ILE A 44 -12.648 -16.637 -24.286 1.00 0.00 C ATOM 317 CD1 ILE A 44 -14.501 -14.918 -25.663 1.00 0.00 C ATOM 0 H ILE A 44 -10.938 -13.149 -25.287 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.975 -14.095 -23.422 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.149 -15.542 -25.321 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.757 -13.830 -26.316 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.846 -15.468 -26.933 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.749 -17.392 -25.066 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.943 -16.987 -23.531 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.619 -16.462 -23.822 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -15.111 -14.571 -26.497 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.769 -15.946 -25.421 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.678 -14.283 -24.795 1.00 0.00 H new ATOM 318 N CYS A 45 -11.668 -14.713 -21.491 1.00 0.00 N ATOM 319 CA CYS A 45 -10.950 -15.163 -20.310 1.00 0.00 C ATOM 320 C CYS A 45 -11.350 -16.612 -20.029 1.00 0.00 C ATOM 321 O CYS A 45 -10.551 -17.391 -19.509 1.00 0.00 O ATOM 322 CB CYS A 45 -11.212 -14.254 -19.107 1.00 0.00 C ATOM 323 SG CYS A 45 -12.316 -14.967 -17.834 1.00 0.00 S ATOM 0 H CYS A 45 -12.641 -14.457 -21.326 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.877 -15.112 -20.492 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.258 -14.005 -18.643 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.646 -13.320 -19.463 1.00 0.00 H new ATOM 324 N ARG A 46 -12.585 -16.932 -20.384 1.00 0.00 N ATOM 325 CA ARG A 46 -13.111 -18.266 -20.148 1.00 0.00 C ATOM 326 C ARG A 46 -14.199 -18.596 -21.173 1.00 0.00 C ATOM 327 O ARG A 46 -15.111 -17.802 -21.392 1.00 0.00 O ATOM 328 CB ARG A 46 -13.692 -18.388 -18.739 1.00 0.00 C ATOM 329 CG ARG A 46 -13.698 -19.845 -18.272 1.00 0.00 C ATOM 330 CD ARG A 46 -12.338 -20.240 -17.693 1.00 0.00 C ATOM 331 NE ARG A 46 -12.088 -19.500 -16.437 1.00 0.00 N ATOM 332 CZ ARG A 46 -10.932 -19.538 -15.760 1.00 0.00 C ATOM 333 NH1 ARG A 46 -9.955 -20.369 -16.148 1.00 0.00 N ATOM 334 NH2 ARG A 46 -10.754 -18.746 -14.693 1.00 0.00 N ATOM 0 H ARG A 46 -13.238 -16.290 -20.834 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.286 -18.971 -20.249 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.106 -17.783 -18.047 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.708 -17.994 -18.726 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.473 -19.986 -17.519 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.945 -20.498 -19.109 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.312 -21.313 -17.504 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.550 -20.025 -18.415 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.843 -18.925 -16.063 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.091 -20.973 -16.959 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.075 -20.398 -15.633 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.498 -18.115 -14.397 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.874 -18.775 -14.178 1.00 0.00 H new ATOM 335 N ILE A 47 -14.065 -19.770 -21.771 1.00 0.00 N ATOM 336 CA ILE A 47 -15.065 -20.248 -22.713 1.00 0.00 C ATOM 337 C ILE A 47 -16.267 -20.794 -21.940 1.00 0.00 C ATOM 338 O ILE A 47 -16.144 -21.159 -20.771 1.00 0.00 O ATOM 339 CB ILE A 47 -14.448 -21.257 -23.683 1.00 0.00 C ATOM 340 CG1 ILE A 47 -13.055 -20.806 -24.131 1.00 0.00 C ATOM 341 CG2 ILE A 47 -15.377 -21.513 -24.871 1.00 0.00 C ATOM 342 CD1 ILE A 47 -11.987 -21.808 -23.691 1.00 0.00 C ATOM 0 H ILE A 47 -13.280 -20.405 -21.623 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.429 -19.428 -23.332 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.326 -22.205 -23.159 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.034 -20.700 -25.216 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.834 -19.825 -23.711 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.915 -22.234 -25.546 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.327 -21.909 -24.512 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.552 -20.578 -25.404 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.007 -21.464 -24.022 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.994 -21.893 -22.604 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.198 -22.782 -24.133 1.00 0.00 H new ATOM 343 N ALA A 48 -17.401 -20.833 -22.623 1.00 0.00 N ATOM 344 CA ALA A 48 -18.624 -21.328 -22.014 1.00 0.00 C ATOM 345 C ALA A 48 -18.571 -22.856 -21.941 1.00 0.00 C ATOM 346 O ALA A 48 -18.039 -23.505 -22.840 1.00 0.00 O ATOM 347 CB ALA A 48 -19.831 -20.824 -22.810 1.00 0.00 C ATOM 0 H ALA A 48 -17.499 -20.530 -23.592 1.00 0.00 H new ATOM 0 HA ALA A 48 -18.725 -20.953 -20.996 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.749 -21.195 -22.353 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -19.839 -19.734 -22.807 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.765 -21.184 -23.837 1.00 0.00 H new ATOM 348 N ARG A 49 -19.129 -23.384 -20.862 1.00 0.00 N ATOM 349 CA ARG A 49 -19.222 -24.824 -20.697 1.00 0.00 C ATOM 350 C ARG A 49 -20.286 -25.398 -21.634 1.00 0.00 C ATOM 351 O ARG A 49 -20.192 -26.550 -22.056 1.00 0.00 O ATOM 352 CB ARG A 49 -19.571 -25.193 -19.253 1.00 0.00 C ATOM 353 CG ARG A 49 -19.609 -26.711 -19.069 1.00 0.00 C ATOM 354 CD ARG A 49 -18.249 -27.336 -19.388 1.00 0.00 C ATOM 355 NE ARG A 49 -18.201 -28.727 -18.885 1.00 0.00 N ATOM 356 CZ ARG A 49 -17.144 -29.539 -19.021 1.00 0.00 C ATOM 357 NH1 ARG A 49 -16.042 -29.104 -19.647 1.00 0.00 N ATOM 358 NH2 ARG A 49 -17.189 -30.785 -18.532 1.00 0.00 N ATOM 0 H ARG A 49 -19.521 -22.840 -20.093 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.249 -25.249 -20.943 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -18.836 -24.759 -18.575 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.539 -24.767 -18.989 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -19.891 -26.950 -18.044 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -20.372 -27.141 -19.718 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -18.077 -27.324 -20.464 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.453 -26.748 -18.931 1.00 0.00 H new ATOM 0 HE ARG A 49 -19.024 -29.090 -18.405 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.008 -28.155 -20.020 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.237 -29.722 -19.751 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.028 -31.116 -18.056 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.384 -31.403 -18.636 1.00 0.00 H new ATOM 359 N GLY A 50 -21.275 -24.568 -21.933 1.00 0.00 N ATOM 360 CA GLY A 50 -22.322 -24.956 -22.864 1.00 0.00 C ATOM 361 C GLY A 50 -23.634 -24.238 -22.545 1.00 0.00 C ATOM 362 O GLY A 50 -23.992 -24.081 -21.379 1.00 0.00 O ATOM 0 H GLY A 50 -21.374 -23.629 -21.547 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -22.013 -24.721 -23.883 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -22.473 -26.034 -22.818 1.00 0.00 H new ATOM 363 N ASP A 51 -24.315 -23.820 -23.602 1.00 0.00 N ATOM 364 CA ASP A 51 -25.609 -23.177 -23.451 1.00 0.00 C ATOM 365 C ASP A 51 -25.437 -21.868 -22.676 1.00 0.00 C ATOM 366 O ASP A 51 -26.394 -21.351 -22.103 1.00 0.00 O ATOM 367 CB ASP A 51 -26.579 -24.065 -22.668 1.00 0.00 C ATOM 368 CG ASP A 51 -28.016 -23.545 -22.594 1.00 0.00 C ATOM 369 OD1 ASP A 51 -28.633 -23.225 -23.620 1.00 0.00 O ATOM 370 OD2 ASP A 51 -28.508 -23.473 -21.403 1.00 0.00 O ATOM 0 H ASP A 51 -23.995 -23.914 -24.566 1.00 0.00 H new ATOM 0 HA ASP A 51 -26.012 -22.994 -24.447 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -26.590 -25.055 -23.124 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -26.199 -24.185 -21.653 1.00 0.00 H new ATOM 371 N PHE A 52 -24.209 -21.371 -22.685 1.00 0.00 N ATOM 372 CA PHE A 52 -23.928 -20.062 -22.118 1.00 0.00 C ATOM 373 C PHE A 52 -23.032 -19.243 -23.049 1.00 0.00 C ATOM 374 O PHE A 52 -22.296 -19.802 -23.859 1.00 0.00 O ATOM 375 CB PHE A 52 -23.192 -20.295 -20.797 1.00 0.00 C ATOM 376 CG PHE A 52 -23.779 -21.427 -19.951 1.00 0.00 C ATOM 377 CD1 PHE A 52 -25.099 -21.421 -19.626 1.00 0.00 C ATOM 378 CD2 PHE A 52 -22.978 -22.439 -19.522 1.00 0.00 C ATOM 379 CE1 PHE A 52 -25.642 -22.472 -18.841 1.00 0.00 C ATOM 380 CE2 PHE A 52 -23.521 -23.491 -18.737 1.00 0.00 C ATOM 381 CZ PHE A 52 -24.841 -23.485 -18.412 1.00 0.00 C ATOM 0 H PHE A 52 -23.398 -21.850 -23.075 1.00 0.00 H new ATOM 0 HA PHE A 52 -24.858 -19.511 -21.974 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -22.146 -20.518 -21.009 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -23.209 -19.373 -20.215 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -25.735 -20.617 -19.965 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -21.929 -22.443 -19.778 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -26.691 -22.468 -18.584 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -22.885 -24.296 -18.398 1.00 0.00 H new ATOM 0 HZ PHE A 52 -25.254 -24.284 -17.814 1.00 0.00 H new ATOM 382 N PRO A 53 -23.128 -17.894 -22.899 1.00 0.00 N ATOM 383 CA PRO A 53 -22.197 -16.999 -23.564 1.00 0.00 C ATOM 384 C PRO A 53 -20.833 -17.015 -22.872 1.00 0.00 C ATOM 385 O PRO A 53 -20.754 -17.038 -21.645 1.00 0.00 O ATOM 386 CB PRO A 53 -22.867 -15.635 -23.527 1.00 0.00 C ATOM 387 CG PRO A 53 -23.926 -15.721 -22.439 1.00 0.00 C ATOM 388 CD PRO A 53 -24.121 -17.189 -22.094 1.00 0.00 C ATOM 0 HA PRO A 53 -21.988 -17.297 -24.592 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -22.143 -14.850 -23.307 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.316 -15.394 -24.491 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -23.615 -15.160 -21.558 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -24.863 -15.282 -22.782 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -23.968 -17.369 -21.030 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -25.132 -17.521 -22.332 1.00 0.00 H new ATOM 389 N ASP A 54 -19.790 -17.000 -23.690 1.00 0.00 N ATOM 390 CA ASP A 54 -18.433 -16.954 -23.172 1.00 0.00 C ATOM 391 C ASP A 54 -18.256 -15.690 -22.327 1.00 0.00 C ATOM 392 O ASP A 54 -18.936 -14.689 -22.551 1.00 0.00 O ATOM 393 CB ASP A 54 -17.411 -16.909 -24.309 1.00 0.00 C ATOM 394 CG ASP A 54 -17.677 -15.848 -25.378 1.00 0.00 C ATOM 395 OD1 ASP A 54 -17.470 -14.631 -25.002 1.00 0.00 O ATOM 396 OD2 ASP A 54 -18.065 -16.166 -26.512 1.00 0.00 O ATOM 0 H ASP A 54 -19.858 -17.019 -24.708 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.270 -17.851 -22.575 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.423 -16.733 -23.882 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -17.381 -17.887 -24.789 1.00 0.00 H new ATOM 397 N ASP A 55 -17.340 -15.778 -21.374 1.00 0.00 N ATOM 398 CA ASP A 55 -17.109 -14.676 -20.456 1.00 0.00 C ATOM 399 C ASP A 55 -15.891 -13.875 -20.923 1.00 0.00 C ATOM 400 O ASP A 55 -14.868 -14.451 -21.285 1.00 0.00 O ATOM 401 CB ASP A 55 -16.824 -15.188 -19.042 1.00 0.00 C ATOM 402 CG ASP A 55 -16.331 -14.126 -18.058 1.00 0.00 C ATOM 403 OD1 ASP A 55 -15.164 -13.710 -18.098 1.00 0.00 O ATOM 404 OD2 ASP A 55 -17.213 -13.718 -17.209 1.00 0.00 O ATOM 0 H ASP A 55 -16.749 -16.595 -21.218 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.005 -14.056 -20.442 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.734 -15.636 -18.644 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.078 -15.981 -19.102 1.00 0.00 H new ATOM 405 N ARG A 56 -16.044 -12.559 -20.898 1.00 0.00 N ATOM 406 CA ARG A 56 -14.970 -11.673 -21.312 1.00 0.00 C ATOM 407 C ARG A 56 -14.376 -10.955 -20.099 1.00 0.00 C ATOM 408 O ARG A 56 -14.986 -10.926 -19.031 1.00 0.00 O ATOM 409 CB ARG A 56 -15.469 -10.634 -22.319 1.00 0.00 C ATOM 410 CG ARG A 56 -15.560 -11.231 -23.724 1.00 0.00 C ATOM 411 CD ARG A 56 -16.905 -10.902 -24.374 1.00 0.00 C ATOM 412 NE ARG A 56 -17.979 -11.710 -23.754 1.00 0.00 N ATOM 413 CZ ARG A 56 -19.277 -11.599 -24.064 1.00 0.00 C ATOM 414 NH1 ARG A 56 -19.673 -10.705 -24.979 1.00 0.00 N ATOM 415 NH2 ARG A 56 -20.179 -12.385 -23.461 1.00 0.00 N ATOM 0 H ARG A 56 -16.896 -12.085 -20.597 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.202 -12.283 -21.788 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.448 -10.266 -22.012 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.795 -9.777 -22.327 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.749 -10.843 -24.341 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.432 -12.312 -23.672 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -17.124 -9.841 -24.258 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -16.860 -11.103 -25.444 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.714 -12.395 -23.046 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.986 -10.108 -25.440 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -20.662 -10.621 -25.215 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.877 -13.068 -22.766 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.168 -12.301 -23.697 1.00 0.00 H new ATOM 416 N CYS A 57 -13.194 -10.392 -20.303 1.00 0.00 N ATOM 417 CA CYS A 57 -12.511 -9.677 -19.239 1.00 0.00 C ATOM 418 C CYS A 57 -13.258 -8.366 -18.985 1.00 0.00 C ATOM 419 O CYS A 57 -14.215 -8.047 -19.688 1.00 0.00 O ATOM 420 CB CYS A 57 -11.037 -9.439 -19.572 1.00 0.00 C ATOM 421 SG CYS A 57 -10.009 -10.952 -19.630 1.00 0.00 S ATOM 0 H CYS A 57 -12.692 -10.417 -21.190 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.517 -10.279 -18.331 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.974 -8.937 -20.537 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.617 -8.759 -18.831 1.00 0.00 H new ATOM 422 N THR A 58 -12.793 -7.643 -17.976 1.00 0.00 N ATOM 423 CA THR A 58 -13.416 -6.383 -17.610 1.00 0.00 C ATOM 424 C THR A 58 -12.680 -5.213 -18.267 1.00 0.00 C ATOM 425 O THR A 58 -13.302 -4.361 -18.899 1.00 0.00 O ATOM 426 CB THR A 58 -13.450 -6.299 -16.083 1.00 0.00 C ATOM 427 OG1 THR A 58 -12.087 -6.448 -15.696 1.00 0.00 O ATOM 428 CG2 THR A 58 -14.152 -7.500 -15.445 1.00 0.00 C ATOM 0 H THR A 58 -11.993 -7.906 -17.401 1.00 0.00 H new ATOM 0 HA THR A 58 -14.441 -6.327 -17.976 1.00 0.00 H new ATOM 0 HB THR A 58 -13.956 -5.381 -15.782 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.010 -6.347 -14.724 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.148 -7.390 -14.361 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.181 -7.551 -15.801 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.628 -8.416 -15.719 1.00 0.00 H new ATOM 429 N GLY A 59 -11.367 -5.210 -18.093 1.00 0.00 N ATOM 430 CA GLY A 59 -10.538 -4.166 -18.671 1.00 0.00 C ATOM 431 C GLY A 59 -9.522 -3.645 -17.654 1.00 0.00 C ATOM 432 O GLY A 59 -8.506 -3.061 -18.027 1.00 0.00 O ATOM 0 H GLY A 59 -10.856 -5.914 -17.560 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.016 -4.554 -19.546 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.168 -3.345 -19.014 1.00 0.00 H new ATOM 433 N LEU A 60 -9.830 -3.877 -16.386 1.00 0.00 N ATOM 434 CA LEU A 60 -8.985 -3.391 -15.309 1.00 0.00 C ATOM 435 C LEU A 60 -8.935 -4.437 -14.193 1.00 0.00 C ATOM 436 O LEU A 60 -8.949 -4.092 -13.012 1.00 0.00 O ATOM 437 CB LEU A 60 -9.453 -2.013 -14.839 1.00 0.00 C ATOM 438 CG LEU A 60 -10.968 -1.810 -14.760 1.00 0.00 C ATOM 439 CD1 LEU A 60 -11.585 -2.704 -13.681 1.00 0.00 C ATOM 440 CD2 LEU A 60 -11.314 -0.335 -14.549 1.00 0.00 C ATOM 0 H LEU A 60 -10.654 -4.395 -16.081 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.963 -3.251 -15.662 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.029 -1.824 -13.853 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.040 -1.262 -15.512 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.403 -2.109 -15.714 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.662 -2.541 -13.645 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.384 -3.749 -13.916 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.149 -2.459 -12.713 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.397 -0.219 -14.497 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.866 0.014 -13.619 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.926 0.252 -15.381 1.00 0.00 H new ATOM 441 N SER A 61 -8.879 -5.694 -14.607 1.00 0.00 N ATOM 442 CA SER A 61 -8.763 -6.789 -13.659 1.00 0.00 C ATOM 443 C SER A 61 -7.931 -7.921 -14.266 1.00 0.00 C ATOM 444 O SER A 61 -7.910 -8.097 -15.483 1.00 0.00 O ATOM 445 CB SER A 61 -10.141 -7.308 -13.245 1.00 0.00 C ATOM 446 OG SER A 61 -11.113 -6.266 -13.205 1.00 0.00 O ATOM 0 H SER A 61 -8.912 -5.979 -15.586 1.00 0.00 H new ATOM 0 HA SER A 61 -8.262 -6.416 -12.766 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.464 -8.079 -13.945 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.072 -7.778 -12.264 1.00 0.00 H new ATOM 0 HG SER A 61 -11.968 -6.628 -12.892 1.00 0.00 H new ATOM 447 N ASN A 62 -7.266 -8.660 -13.389 1.00 0.00 N ATOM 448 CA ASN A 62 -6.412 -9.750 -13.826 1.00 0.00 C ATOM 449 C ASN A 62 -7.119 -11.082 -13.567 1.00 0.00 C ATOM 450 O ASN A 62 -6.706 -12.119 -14.084 1.00 0.00 O ATOM 451 CB ASN A 62 -5.091 -9.759 -13.053 1.00 0.00 C ATOM 452 CG ASN A 62 -3.907 -9.510 -13.989 1.00 0.00 C ATOM 453 OD1 ASN A 62 -2.990 -10.308 -14.098 1.00 0.00 O ATOM 454 ND2 ASN A 62 -3.976 -8.362 -14.657 1.00 0.00 N ATOM 0 H ASN A 62 -7.302 -8.525 -12.379 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.208 -9.613 -14.888 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.114 -8.993 -12.278 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.966 -10.718 -12.550 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.233 -8.105 -15.307 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.772 -7.739 -14.519 1.00 0.00 H new ATOM 455 N ASP A 63 -8.172 -11.011 -12.766 1.00 0.00 N ATOM 456 CA ASP A 63 -8.945 -12.196 -12.438 1.00 0.00 C ATOM 457 C ASP A 63 -9.777 -12.611 -13.654 1.00 0.00 C ATOM 458 O ASP A 63 -9.888 -11.858 -14.620 1.00 0.00 O ATOM 459 CB ASP A 63 -9.905 -11.925 -11.278 1.00 0.00 C ATOM 460 CG ASP A 63 -9.407 -10.904 -10.252 1.00 0.00 C ATOM 461 OD1 ASP A 63 -9.163 -9.730 -10.725 1.00 0.00 O ATOM 462 OD2 ASP A 63 -9.260 -11.217 -9.061 1.00 0.00 O ATOM 0 H ASP A 63 -8.508 -10.150 -12.334 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.248 -12.984 -12.152 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.854 -11.575 -11.685 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.106 -12.865 -10.765 1.00 0.00 H new ATOM 463 N CYS A 64 -10.341 -13.806 -13.564 1.00 0.00 N ATOM 464 CA CYS A 64 -11.098 -14.361 -14.674 1.00 0.00 C ATOM 465 C CYS A 64 -12.283 -15.143 -14.103 1.00 0.00 C ATOM 466 O CYS A 64 -12.231 -16.367 -13.998 1.00 0.00 O ATOM 467 CB CYS A 64 -10.222 -15.231 -15.577 1.00 0.00 C ATOM 468 SG CYS A 64 -11.141 -16.230 -16.805 1.00 0.00 S ATOM 0 H CYS A 64 -10.289 -14.406 -12.740 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.467 -13.553 -15.306 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.518 -14.588 -16.106 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.633 -15.902 -14.951 1.00 0.00 H new ATOM 469 N PRO A 65 -13.351 -14.383 -13.741 1.00 0.00 N ATOM 470 CA PRO A 65 -14.591 -14.998 -13.298 1.00 0.00 C ATOM 471 C PRO A 65 -15.365 -15.585 -14.480 1.00 0.00 C ATOM 472 O PRO A 65 -15.239 -15.109 -15.608 1.00 0.00 O ATOM 473 CB PRO A 65 -15.348 -13.890 -12.584 1.00 0.00 C ATOM 474 CG PRO A 65 -14.721 -12.588 -13.055 1.00 0.00 C ATOM 475 CD PRO A 65 -13.408 -12.923 -13.743 1.00 0.00 C ATOM 0 HA PRO A 65 -14.425 -15.843 -12.630 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.410 -13.923 -12.827 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.265 -13.995 -11.502 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.390 -12.069 -13.742 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.550 -11.920 -12.211 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.380 -12.527 -14.758 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.560 -12.493 -13.210 1.00 0.00 H new ATOM 476 N ARG A 66 -16.149 -16.611 -14.183 1.00 0.00 N ATOM 477 CA ARG A 66 -16.992 -17.226 -15.195 1.00 0.00 C ATOM 478 C ARG A 66 -18.230 -16.364 -15.450 1.00 0.00 C ATOM 479 O ARG A 66 -18.376 -15.292 -14.865 1.00 0.00 O ATOM 480 CB ARG A 66 -17.435 -18.626 -14.765 1.00 0.00 C ATOM 481 CG ARG A 66 -16.294 -19.373 -14.073 1.00 0.00 C ATOM 482 CD ARG A 66 -16.646 -19.686 -12.617 1.00 0.00 C ATOM 483 NE ARG A 66 -15.479 -20.283 -11.930 1.00 0.00 N ATOM 484 CZ ARG A 66 -15.497 -20.724 -10.665 1.00 0.00 C ATOM 485 NH1 ARG A 66 -16.604 -20.587 -9.923 1.00 0.00 N ATOM 486 NH2 ARG A 66 -14.407 -21.303 -10.142 1.00 0.00 N ATOM 0 H ARG A 66 -16.218 -17.032 -13.257 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.406 -17.307 -16.111 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.287 -18.550 -14.090 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -17.768 -19.190 -15.636 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.085 -20.300 -14.607 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.386 -18.771 -14.110 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.953 -18.774 -12.104 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.491 -20.373 -12.578 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.607 -20.364 -12.452 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.434 -20.147 -10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.617 -20.923 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.564 -21.408 -10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.420 -21.639 -9.179 1.00 0.00 H new ATOM 487 N TRP A 67 -19.090 -16.864 -16.325 1.00 0.00 N ATOM 488 CA TRP A 67 -20.339 -16.183 -16.620 1.00 0.00 C ATOM 489 C TRP A 67 -21.426 -16.781 -15.724 1.00 0.00 C ATOM 490 O TRP A 67 -21.968 -17.844 -16.025 1.00 0.00 O ATOM 491 CB TRP A 67 -20.675 -16.275 -18.110 1.00 0.00 C ATOM 492 CG TRP A 67 -21.256 -14.987 -18.697 1.00 0.00 C ATOM 493 CD1 TRP A 67 -20.595 -13.890 -19.092 1.00 0.00 C ATOM 494 CD2 TRP A 67 -22.650 -14.705 -18.941 1.00 0.00 C ATOM 495 NE1 TRP A 67 -21.459 -12.925 -19.570 1.00 0.00 N ATOM 496 CE2 TRP A 67 -22.748 -13.436 -19.477 1.00 0.00 C ATOM 497 CE3 TRP A 67 -23.791 -15.495 -18.717 1.00 0.00 C ATOM 498 CZ2 TRP A 67 -23.966 -12.846 -19.832 1.00 0.00 C ATOM 499 CZ3 TRP A 67 -25.002 -14.891 -19.079 1.00 0.00 C ATOM 500 CH2 TRP A 67 -25.116 -13.615 -19.618 1.00 0.00 C ATOM 0 H TRP A 67 -18.946 -17.733 -16.839 1.00 0.00 H new ATOM 0 HA TRP A 67 -20.258 -15.117 -16.405 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -19.772 -16.538 -18.660 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -21.388 -17.085 -18.262 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -19.522 -13.775 -19.043 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -21.199 -12.005 -19.926 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -23.738 -16.489 -18.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -24.016 -11.851 -20.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -25.910 -15.456 -18.929 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -26.088 -13.218 -19.871 1.00 0.00 H new ATOM 501 N ASN A 68 -21.712 -16.073 -14.641 1.00 0.00 N ATOM 502 CA ASN A 68 -22.751 -16.500 -13.720 1.00 0.00 C ATOM 503 C ASN A 68 -24.099 -16.499 -14.444 1.00 0.00 C ATOM 504 O ASN A 68 -24.693 -15.443 -14.657 1.00 0.00 O ATOM 505 CB ASN A 68 -22.855 -15.548 -12.527 1.00 0.00 C ATOM 506 CG ASN A 68 -21.604 -15.632 -11.649 1.00 0.00 C ATOM 507 OD1 ASN A 68 -21.652 -16.594 -10.732 1.00 0.00 O flip ATOM 508 ND2 ASN A 68 -20.660 -14.874 -11.795 1.00 0.00 N flip ATOM 0 H ASN A 68 -21.242 -15.206 -14.381 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.497 -17.498 -13.364 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.986 -14.526 -12.883 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -23.736 -15.795 -11.935 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.689 -14.157 -12.520 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.841 -14.957 -11.192 1.00 0.00 H new ATOM 509 N ASP A 69 -24.543 -17.694 -14.803 1.00 0.00 N ATOM 510 CA ASP A 69 -25.819 -17.847 -15.479 1.00 0.00 C ATOM 511 C ASP A 69 -26.870 -18.324 -14.475 1.00 0.00 C ATOM 512 O ASP A 69 -27.867 -18.936 -14.857 1.00 0.00 O ATOM 513 CB ASP A 69 -25.730 -18.886 -16.599 1.00 0.00 C ATOM 514 CG ASP A 69 -26.905 -18.885 -17.578 1.00 0.00 C ATOM 515 OD1 ASP A 69 -27.251 -17.846 -18.160 1.00 0.00 O ATOM 516 OD2 ASP A 69 -27.483 -20.027 -17.737 1.00 0.00 O ATOM 0 H ASP A 69 -24.041 -18.566 -14.638 1.00 0.00 H new ATOM 0 HA ASP A 69 -26.092 -16.881 -15.904 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -24.810 -18.716 -17.159 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -25.652 -19.876 -16.150 1.00 0.00 H new ATOM 517 N LEU A 70 -26.668 -18.001 -13.164 1.00 0.00 N ATOM 518 CA LEU A 70 -27.551 -18.461 -12.077 1.00 0.00 C ATOM 519 C LEU A 70 -28.329 -17.321 -11.478 1.00 0.00 C ATOM 520 O LEU A 70 -28.785 -17.324 -10.336 1.00 0.00 O ATOM 521 CB LEU A 70 -26.801 -19.295 -11.009 1.00 0.00 C ATOM 522 CG LEU A 70 -25.445 -18.764 -10.471 1.00 0.00 C ATOM 523 CD1 LEU A 70 -24.253 -19.094 -11.382 1.00 0.00 C ATOM 524 CD2 LEU A 70 -25.451 -17.287 -10.051 1.00 0.00 C ATOM 525 OXT LEU A 70 -28.555 -16.271 -12.276 1.00 0.00 O ATOM 0 H LEU A 70 -25.893 -17.420 -12.845 1.00 0.00 H new ATOM 0 HA LEU A 70 -28.276 -19.141 -12.525 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -27.469 -19.420 -10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -26.627 -20.287 -11.426 1.00 0.00 H new ATOM 0 HG LEU A 70 -25.304 -19.326 -9.547 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -23.339 -18.693 -10.945 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -24.162 -20.175 -11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -24.411 -18.648 -12.364 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -24.461 -17.008 -9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -25.713 -16.666 -10.908 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -26.183 -17.137 -9.257 1.00 0.00 H new TER 526 LEU A 70