USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=9 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 Single : A 1 LYS N :NH3+ -133:sc= 0.0526 (180deg=-0.375) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.6!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 7 MET CE :methyl -131:sc= -8.76! (180deg=-17.5!) USER MOD Single : A 9 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-5.4!) USER MOD Single : A 12 GLN : amide:sc= -1.86! C(o=-1.9!,f=-4.8!) USER MOD Single : A 15 MET CE :methyl 135:sc= -0.195 (180deg=-1.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.175 K(o=-0.18,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 31 SER OG : rot -65:sc= 0.459 USER MOD Single : A 36 MET CE :methyl 149:sc= -0.253 (180deg=-1.21) USER MOD Single : A 39 ASN : amide:sc= -8.41! C(o=-8.4!,f=-15!) USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0502) USER MOD Single : A 43 THR OG1 : rot -55:sc= -0.878! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= -3.28! (180deg=-7.59!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.711 9.813 -3.771 1.00 0.00 N ATOM 2 CA LYS A 1 -7.373 11.193 -3.320 1.00 0.00 C ATOM 3 C LYS A 1 -8.235 11.560 -2.111 1.00 0.00 C ATOM 4 O LYS A 1 -9.137 10.836 -1.737 1.00 0.00 O ATOM 5 CB LYS A 1 -7.642 12.181 -4.457 1.00 0.00 C ATOM 6 CG LYS A 1 -6.710 11.873 -5.631 1.00 0.00 C ATOM 7 CD LYS A 1 -6.903 12.924 -6.726 1.00 0.00 C ATOM 8 CE LYS A 1 -6.070 12.545 -7.951 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.009 13.569 -8.168 1.00 0.00 N ATOM 0 H1 LYS A 1 -6.835 9.274 -3.927 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.283 9.340 -3.043 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.251 9.860 -4.659 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.320 11.237 -3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.682 12.111 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -7.483 13.202 -4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.673 11.869 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.921 10.879 -6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.957 12.993 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.603 13.906 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.619 11.563 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -6.709 12.476 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.443 13.311 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.450 14.498 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.393 13.614 -7.331 1.00 0.00 H new ATOM 10 N ASN A 2 -7.967 12.679 -1.497 1.00 0.00 N ATOM 11 CA ASN A 2 -8.773 13.091 -0.313 1.00 0.00 C ATOM 12 C ASN A 2 -10.256 13.115 -0.690 1.00 0.00 C ATOM 13 O ASN A 2 -11.114 12.796 0.107 1.00 0.00 O ATOM 14 CB ASN A 2 -8.338 14.485 0.141 1.00 0.00 C ATOM 15 CG ASN A 2 -6.887 14.432 0.626 1.00 0.00 C ATOM 16 OD1 ASN A 2 -6.362 13.370 0.895 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.213 15.543 0.750 1.00 0.00 N ATOM 0 H ASN A 2 -7.225 13.326 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.616 12.381 0.499 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.432 15.193 -0.682 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -8.988 14.838 0.942 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.246 15.519 1.073 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.654 16.435 0.524 1.00 0.00 H new ATOM 18 N GLU A 3 -10.562 13.492 -1.901 1.00 0.00 N ATOM 19 CA GLU A 3 -11.989 13.536 -2.330 1.00 0.00 C ATOM 20 C GLU A 3 -12.596 12.136 -2.217 1.00 0.00 C ATOM 21 O GLU A 3 -13.774 11.978 -1.968 1.00 0.00 O ATOM 22 CB GLU A 3 -12.071 14.013 -3.780 1.00 0.00 C ATOM 23 CG GLU A 3 -13.538 14.194 -4.175 1.00 0.00 C ATOM 24 CD GLU A 3 -13.626 14.543 -5.663 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.587 14.602 -6.299 1.00 0.00 O ATOM 26 OE2 GLU A 3 -14.731 14.745 -6.140 1.00 0.00 O ATOM 0 H GLU A 3 -9.886 13.771 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.541 14.225 -1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.533 14.954 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.592 13.289 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.096 13.280 -3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.992 14.985 -3.578 1.00 0.00 H new ATOM 27 N ASP A 4 -11.799 11.118 -2.399 1.00 0.00 N ATOM 28 CA ASP A 4 -12.330 9.729 -2.302 1.00 0.00 C ATOM 29 C ASP A 4 -12.924 9.505 -0.911 1.00 0.00 C ATOM 30 O ASP A 4 -13.834 8.720 -0.732 1.00 0.00 O ATOM 31 CB ASP A 4 -11.193 8.732 -2.536 1.00 0.00 C ATOM 32 CG ASP A 4 -11.774 7.325 -2.692 1.00 0.00 C ATOM 33 OD1 ASP A 4 -12.987 7.207 -2.735 1.00 0.00 O ATOM 34 OD2 ASP A 4 -10.994 6.389 -2.767 1.00 0.00 O ATOM 0 H ASP A 4 -10.804 11.189 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.104 9.583 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.632 9.007 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.494 8.758 -1.700 1.00 0.00 H new ATOM 35 N GLN A 5 -12.415 10.187 0.078 1.00 0.00 N ATOM 36 CA GLN A 5 -12.950 10.012 1.458 1.00 0.00 C ATOM 37 C GLN A 5 -14.391 10.523 1.515 1.00 0.00 C ATOM 38 O GLN A 5 -15.221 9.989 2.224 1.00 0.00 O ATOM 39 CB GLN A 5 -12.090 10.804 2.443 1.00 0.00 C ATOM 40 CG GLN A 5 -10.689 10.193 2.507 1.00 0.00 C ATOM 41 CD GLN A 5 -9.820 11.010 3.465 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.185 12.103 3.852 1.00 0.00 O ATOM 43 NE2 GLN A 5 -8.677 10.525 3.866 1.00 0.00 N ATOM 0 H GLN A 5 -11.652 10.858 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.928 8.955 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.029 11.847 2.131 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.548 10.793 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.747 9.158 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.241 10.180 1.514 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.370 9.608 3.542 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.090 11.063 4.504 1.00 0.00 H new ATOM 44 N GLU A 6 -14.694 11.554 0.776 1.00 0.00 N ATOM 45 CA GLU A 6 -16.082 12.099 0.789 1.00 0.00 C ATOM 46 C GLU A 6 -17.050 11.042 0.252 1.00 0.00 C ATOM 47 O GLU A 6 -18.108 10.818 0.805 1.00 0.00 O ATOM 48 CB GLU A 6 -16.148 13.348 -0.091 1.00 0.00 C ATOM 49 CG GLU A 6 -17.516 14.014 0.070 1.00 0.00 C ATOM 50 CD GLU A 6 -17.610 15.220 -0.866 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.642 15.479 -1.565 1.00 0.00 O ATOM 52 OE2 GLU A 6 -18.645 15.864 -0.869 1.00 0.00 O ATOM 0 H GLU A 6 -14.041 12.043 0.164 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.361 12.360 1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.357 14.045 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.983 13.080 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.308 13.301 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.659 14.330 1.103 1.00 0.00 H new ATOM 53 N MET A 7 -16.695 10.391 -0.822 1.00 0.00 N ATOM 54 CA MET A 7 -17.596 9.349 -1.392 1.00 0.00 C ATOM 55 C MET A 7 -17.817 8.246 -0.357 1.00 0.00 C ATOM 56 O MET A 7 -18.812 7.549 -0.379 1.00 0.00 O ATOM 57 CB MET A 7 -16.952 8.743 -2.641 1.00 0.00 C ATOM 58 CG MET A 7 -16.775 9.825 -3.708 1.00 0.00 C ATOM 59 SD MET A 7 -18.359 10.648 -4.007 1.00 0.00 S ATOM 60 CE MET A 7 -19.271 9.188 -4.565 1.00 0.00 C ATOM 0 H MET A 7 -15.822 10.535 -1.329 1.00 0.00 H new ATOM 0 HA MET A 7 -18.551 9.803 -1.656 1.00 0.00 H new ATOM 0 HB2 MET A 7 -15.986 8.307 -2.388 1.00 0.00 H new ATOM 0 HB3 MET A 7 -17.575 7.936 -3.028 1.00 0.00 H new ATOM 0 HG2 MET A 7 -16.031 10.553 -3.383 1.00 0.00 H new ATOM 0 HG3 MET A 7 -16.404 9.382 -4.632 1.00 0.00 H new ATOM 0 HE1 MET A 7 -19.792 9.418 -5.494 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.575 8.366 -4.733 1.00 0.00 H new ATOM 0 HE3 MET A 7 -19.996 8.899 -3.804 1.00 0.00 H new ATOM 61 N CYS A 8 -16.893 8.079 0.548 1.00 0.00 N ATOM 62 CA CYS A 8 -17.044 7.016 1.581 1.00 0.00 C ATOM 63 C CYS A 8 -18.172 7.387 2.542 1.00 0.00 C ATOM 64 O CYS A 8 -18.920 6.539 2.987 1.00 0.00 O ATOM 65 CB CYS A 8 -15.732 6.863 2.349 1.00 0.00 C ATOM 66 SG CYS A 8 -14.466 6.206 1.235 1.00 0.00 S ATOM 0 H CYS A 8 -16.039 8.633 0.617 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.289 6.071 1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.417 7.826 2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.869 6.194 3.198 1.00 0.00 H new ATOM 67 N HIS A 9 -18.311 8.644 2.861 1.00 0.00 N ATOM 68 CA HIS A 9 -19.403 9.056 3.783 1.00 0.00 C ATOM 69 C HIS A 9 -20.695 8.351 3.352 1.00 0.00 C ATOM 70 O HIS A 9 -21.465 7.883 4.167 1.00 0.00 O ATOM 71 CB HIS A 9 -19.573 10.581 3.712 1.00 0.00 C ATOM 72 CG HIS A 9 -20.968 10.975 4.123 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.079 10.626 3.374 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.446 11.685 5.196 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.161 11.121 3.999 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.832 11.775 5.117 1.00 0.00 N ATOM 0 H HIS A 9 -17.717 9.401 2.523 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.166 8.778 4.810 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.845 11.065 4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.374 10.928 2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.839 12.109 5.982 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.173 11.004 3.641 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.461 12.240 5.771 1.00 0.00 H new ATOM 77 N GLU A 10 -20.931 8.271 2.070 1.00 0.00 N ATOM 78 CA GLU A 10 -22.163 7.598 1.574 1.00 0.00 C ATOM 79 C GLU A 10 -22.060 6.088 1.809 1.00 0.00 C ATOM 80 O GLU A 10 -23.027 5.440 2.155 1.00 0.00 O ATOM 81 CB GLU A 10 -22.322 7.872 0.076 1.00 0.00 C ATOM 82 CG GLU A 10 -23.656 7.301 -0.409 1.00 0.00 C ATOM 83 CD GLU A 10 -23.761 7.468 -1.927 1.00 0.00 C ATOM 84 OE1 GLU A 10 -22.825 7.987 -2.512 1.00 0.00 O ATOM 85 OE2 GLU A 10 -24.776 7.074 -2.477 1.00 0.00 O ATOM 0 H GLU A 10 -20.320 8.645 1.343 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.028 7.986 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.283 8.945 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -21.498 7.420 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.731 6.247 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -24.483 7.814 0.082 1.00 0.00 H new ATOM 86 N PHE A 11 -20.898 5.516 1.624 1.00 0.00 N ATOM 87 CA PHE A 11 -20.758 4.048 1.839 1.00 0.00 C ATOM 88 C PHE A 11 -20.999 3.728 3.316 1.00 0.00 C ATOM 89 O PHE A 11 -21.146 2.584 3.697 1.00 0.00 O ATOM 90 CB PHE A 11 -19.353 3.584 1.432 1.00 0.00 C ATOM 91 CG PHE A 11 -19.474 2.341 0.580 1.00 0.00 C ATOM 92 CD1 PHE A 11 -20.200 1.241 1.053 1.00 0.00 C ATOM 93 CD2 PHE A 11 -18.869 2.286 -0.685 1.00 0.00 C ATOM 94 CE1 PHE A 11 -20.324 0.093 0.264 1.00 0.00 C ATOM 95 CE2 PHE A 11 -18.994 1.139 -1.469 1.00 0.00 C ATOM 96 CZ PHE A 11 -19.723 0.042 -0.997 1.00 0.00 C ATOM 0 H PHE A 11 -20.047 5.999 1.336 1.00 0.00 H new ATOM 0 HA PHE A 11 -21.491 3.525 1.225 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -18.842 4.372 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -18.753 3.376 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -20.664 1.279 2.027 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -18.306 3.132 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -20.885 -0.755 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.527 1.098 -2.442 1.00 0.00 H new ATOM 0 HZ PHE A 11 -19.821 -0.844 -1.607 1.00 0.00 H new ATOM 97 N GLN A 12 -21.053 4.732 4.151 1.00 0.00 N ATOM 98 CA GLN A 12 -21.299 4.482 5.599 1.00 0.00 C ATOM 99 C GLN A 12 -22.706 3.911 5.771 1.00 0.00 C ATOM 100 O GLN A 12 -22.912 2.940 6.472 1.00 0.00 O ATOM 101 CB GLN A 12 -21.180 5.794 6.376 1.00 0.00 C ATOM 102 CG GLN A 12 -19.751 6.331 6.257 1.00 0.00 C ATOM 103 CD GLN A 12 -19.671 7.714 6.905 1.00 0.00 C ATOM 104 OE1 GLN A 12 -20.681 8.349 7.137 1.00 0.00 O ATOM 105 NE2 GLN A 12 -18.503 8.211 7.210 1.00 0.00 N ATOM 0 H GLN A 12 -20.937 5.712 3.892 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.563 3.774 5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -21.888 6.525 5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -21.433 5.633 7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -19.053 5.649 6.743 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.460 6.391 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.655 7.678 7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.438 9.132 7.643 1.00 0.00 H new ATOM 106 N ALA A 13 -23.679 4.501 5.129 1.00 0.00 N ATOM 107 CA ALA A 13 -25.068 3.981 5.250 1.00 0.00 C ATOM 108 C ALA A 13 -25.049 2.470 5.022 1.00 0.00 C ATOM 109 O ALA A 13 -25.582 1.706 5.802 1.00 0.00 O ATOM 110 CB ALA A 13 -25.960 4.647 4.200 1.00 0.00 C ATOM 0 H ALA A 13 -23.571 5.318 4.528 1.00 0.00 H new ATOM 0 HA ALA A 13 -25.461 4.202 6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.977 4.264 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.963 5.726 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.577 4.426 3.204 1.00 0.00 H new ATOM 111 N PHE A 14 -24.424 2.033 3.962 1.00 0.00 N ATOM 112 CA PHE A 14 -24.356 0.571 3.689 1.00 0.00 C ATOM 113 C PHE A 14 -23.689 -0.125 4.876 1.00 0.00 C ATOM 114 O PHE A 14 -23.855 -1.310 5.092 1.00 0.00 O ATOM 115 CB PHE A 14 -23.527 0.323 2.426 1.00 0.00 C ATOM 116 CG PHE A 14 -24.269 0.837 1.215 1.00 0.00 C ATOM 117 CD1 PHE A 14 -25.285 0.068 0.637 1.00 0.00 C ATOM 118 CD2 PHE A 14 -23.937 2.083 0.667 1.00 0.00 C ATOM 119 CE1 PHE A 14 -25.970 0.542 -0.488 1.00 0.00 C ATOM 120 CE2 PHE A 14 -24.621 2.557 -0.459 1.00 0.00 C ATOM 121 CZ PHE A 14 -25.638 1.787 -1.036 1.00 0.00 C ATOM 0 H PHE A 14 -23.958 2.626 3.275 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.362 0.177 3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -22.561 0.822 2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -23.327 -0.743 2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -25.541 -0.892 1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.154 2.678 1.113 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -26.754 -0.052 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.364 3.517 -0.882 1.00 0.00 H new ATOM 0 HZ PHE A 14 -26.166 2.153 -1.904 1.00 0.00 H new ATOM 122 N MET A 15 -22.932 0.607 5.648 1.00 0.00 N ATOM 123 CA MET A 15 -22.248 -0.003 6.823 1.00 0.00 C ATOM 124 C MET A 15 -23.240 -0.127 7.981 1.00 0.00 C ATOM 125 O MET A 15 -23.890 0.828 8.358 1.00 0.00 O ATOM 126 CB MET A 15 -21.078 0.887 7.249 1.00 0.00 C ATOM 127 CG MET A 15 -20.271 0.183 8.341 1.00 0.00 C ATOM 128 SD MET A 15 -18.983 1.296 8.956 1.00 0.00 S ATOM 129 CE MET A 15 -20.070 2.429 9.856 1.00 0.00 C ATOM 0 H MET A 15 -22.758 1.603 5.515 1.00 0.00 H new ATOM 0 HA MET A 15 -21.875 -0.992 6.555 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.440 1.101 6.392 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.450 1.843 7.617 1.00 0.00 H new ATOM 0 HG2 MET A 15 -20.928 -0.116 9.158 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.821 -0.727 7.945 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.643 2.640 10.837 1.00 0.00 H new ATOM 0 HE2 MET A 15 -20.171 3.359 9.296 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.052 1.971 9.978 1.00 0.00 H new ATOM 130 N LYS A 16 -23.364 -1.296 8.546 1.00 0.00 N ATOM 131 CA LYS A 16 -24.317 -1.477 9.678 1.00 0.00 C ATOM 132 C LYS A 16 -23.638 -2.265 10.801 1.00 0.00 C ATOM 133 O LYS A 16 -22.868 -3.172 10.559 1.00 0.00 O ATOM 134 CB LYS A 16 -25.550 -2.241 9.191 1.00 0.00 C ATOM 135 CG LYS A 16 -26.216 -1.464 8.053 1.00 0.00 C ATOM 136 CD LYS A 16 -27.538 -2.138 7.680 1.00 0.00 C ATOM 137 CE LYS A 16 -28.178 -1.393 6.507 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.477 -0.805 6.940 1.00 0.00 N ATOM 0 H LYS A 16 -22.848 -2.133 8.274 1.00 0.00 H new ATOM 0 HA LYS A 16 -24.620 -0.500 10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -25.263 -3.235 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -26.254 -2.378 10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -26.395 -0.433 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.556 -1.430 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.364 -3.180 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -28.213 -2.138 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.511 -0.607 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -28.336 -2.075 5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -29.912 -0.299 6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -30.113 -1.564 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.314 -0.141 7.724 1.00 0.00 H new ATOM 139 N ASN A 17 -23.922 -1.924 12.029 1.00 0.00 N ATOM 140 CA ASN A 17 -23.298 -2.649 13.172 1.00 0.00 C ATOM 141 C ASN A 17 -21.775 -2.636 13.022 1.00 0.00 C ATOM 142 O ASN A 17 -21.082 -3.477 13.558 1.00 0.00 O ATOM 143 CB ASN A 17 -23.795 -4.096 13.189 1.00 0.00 C ATOM 144 CG ASN A 17 -23.700 -4.648 14.612 1.00 0.00 C ATOM 145 OD1 ASN A 17 -23.477 -3.909 15.551 1.00 0.00 O ATOM 146 ND2 ASN A 17 -23.862 -5.928 14.815 1.00 0.00 N ATOM 0 H ASN A 17 -24.561 -1.173 12.290 1.00 0.00 H new ATOM 0 HA ASN A 17 -23.573 -2.157 14.105 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -24.826 -4.142 12.837 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -23.198 -4.705 12.510 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -23.801 -6.306 15.760 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -24.049 -6.549 14.028 1.00 0.00 H new ATOM 147 N GLY A 18 -21.247 -1.688 12.298 1.00 0.00 N ATOM 148 CA GLY A 18 -19.770 -1.624 12.116 1.00 0.00 C ATOM 149 C GLY A 18 -19.366 -2.495 10.924 1.00 0.00 C ATOM 150 O GLY A 18 -18.205 -2.591 10.578 1.00 0.00 O ATOM 0 H GLY A 18 -21.775 -0.955 11.825 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.457 -0.593 11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.266 -1.968 13.019 1.00 0.00 H new ATOM 151 N LYS A 19 -20.316 -3.129 10.294 1.00 0.00 N ATOM 152 CA LYS A 19 -19.990 -3.992 9.126 1.00 0.00 C ATOM 153 C LYS A 19 -20.308 -3.239 7.834 1.00 0.00 C ATOM 154 O LYS A 19 -21.381 -2.692 7.675 1.00 0.00 O ATOM 155 CB LYS A 19 -20.835 -5.265 9.192 1.00 0.00 C ATOM 156 CG LYS A 19 -20.220 -6.332 8.286 1.00 0.00 C ATOM 157 CD LYS A 19 -21.292 -6.875 7.339 1.00 0.00 C ATOM 158 CE LYS A 19 -21.003 -8.344 7.031 1.00 0.00 C ATOM 159 NZ LYS A 19 -22.284 -9.062 6.776 1.00 0.00 N ATOM 0 H LYS A 19 -21.305 -3.086 10.539 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.931 -4.251 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.885 -5.629 10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.857 -5.052 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.395 -5.907 7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.807 -7.142 8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.278 -6.775 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.305 -6.295 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.351 -8.422 6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -20.476 -8.805 7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -22.086 -10.061 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -22.891 -8.998 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -22.770 -8.628 5.965 1.00 0.00 H new ATOM 160 N LEU A 20 -19.389 -3.204 6.908 1.00 0.00 N ATOM 161 CA LEU A 20 -19.655 -2.484 5.632 1.00 0.00 C ATOM 162 C LEU A 20 -20.360 -3.421 4.654 1.00 0.00 C ATOM 163 O LEU A 20 -19.765 -4.335 4.117 1.00 0.00 O ATOM 164 CB LEU A 20 -18.331 -2.009 5.017 1.00 0.00 C ATOM 165 CG LEU A 20 -18.565 -1.562 3.566 1.00 0.00 C ATOM 166 CD1 LEU A 20 -19.298 -0.222 3.555 1.00 0.00 C ATOM 167 CD2 LEU A 20 -17.224 -1.410 2.849 1.00 0.00 C ATOM 0 H LEU A 20 -18.470 -3.641 6.980 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.290 -1.621 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.923 -1.184 5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.596 -2.814 5.046 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.167 -2.313 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -19.463 0.094 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.258 -0.328 4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -18.697 0.526 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.395 -1.093 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.619 -0.663 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -16.700 -2.366 2.852 1.00 0.00 H new ATOM 168 N PHE A 21 -21.618 -3.194 4.402 1.00 0.00 N ATOM 169 CA PHE A 21 -22.348 -4.063 3.441 1.00 0.00 C ATOM 170 C PHE A 21 -22.062 -3.569 2.023 1.00 0.00 C ATOM 171 O PHE A 21 -22.230 -2.406 1.718 1.00 0.00 O ATOM 172 CB PHE A 21 -23.851 -3.992 3.718 1.00 0.00 C ATOM 173 CG PHE A 21 -24.155 -4.690 5.022 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.795 -4.091 6.235 1.00 0.00 C ATOM 175 CD2 PHE A 21 -24.793 -5.936 5.019 1.00 0.00 C ATOM 176 CE1 PHE A 21 -24.073 -4.737 7.445 1.00 0.00 C ATOM 177 CE2 PHE A 21 -25.072 -6.582 6.229 1.00 0.00 C ATOM 178 CZ PHE A 21 -24.713 -5.983 7.443 1.00 0.00 C ATOM 0 H PHE A 21 -22.171 -2.445 4.819 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.018 -5.096 3.550 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.174 -2.952 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -24.404 -4.461 2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.302 -3.130 6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.070 -6.399 4.083 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.794 -4.275 8.380 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -25.565 -7.543 6.226 1.00 0.00 H new ATOM 0 HZ PHE A 21 -24.929 -6.481 8.376 1.00 0.00 H new ATOM 179 N CYS A 22 -21.615 -4.435 1.159 1.00 0.00 N ATOM 180 CA CYS A 22 -21.304 -4.001 -0.232 1.00 0.00 C ATOM 181 C CYS A 22 -22.361 -4.534 -1.207 1.00 0.00 C ATOM 182 O CYS A 22 -22.063 -5.323 -2.081 1.00 0.00 O ATOM 183 CB CYS A 22 -19.930 -4.545 -0.627 1.00 0.00 C ATOM 184 SG CYS A 22 -19.207 -3.485 -1.902 1.00 0.00 S ATOM 0 H CYS A 22 -21.451 -5.423 1.354 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.304 -2.912 -0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -19.277 -4.581 0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -20.024 -5.566 -0.997 1.00 0.00 H new ATOM 185 N PRO A 23 -23.617 -4.082 -1.060 1.00 0.00 N ATOM 186 CA PRO A 23 -24.716 -4.504 -1.939 1.00 0.00 C ATOM 187 C PRO A 23 -24.563 -3.913 -3.344 1.00 0.00 C ATOM 188 O PRO A 23 -23.491 -3.498 -3.738 1.00 0.00 O ATOM 189 CB PRO A 23 -25.959 -3.923 -1.264 1.00 0.00 C ATOM 190 CG PRO A 23 -25.450 -2.759 -0.483 1.00 0.00 C ATOM 191 CD PRO A 23 -24.067 -3.130 -0.030 1.00 0.00 C ATOM 0 HA PRO A 23 -24.752 -5.586 -2.065 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -26.702 -3.613 -1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -26.438 -4.657 -0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -25.430 -1.858 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -26.096 -2.550 0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.414 -2.259 0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -24.077 -3.584 0.961 1.00 0.00 H new ATOM 192 N GLN A 24 -25.625 -3.864 -4.102 1.00 0.00 N ATOM 193 CA GLN A 24 -25.530 -3.292 -5.475 1.00 0.00 C ATOM 194 C GLN A 24 -26.075 -1.862 -5.471 1.00 0.00 C ATOM 195 O GLN A 24 -27.229 -1.629 -5.166 1.00 0.00 O ATOM 196 CB GLN A 24 -26.349 -4.145 -6.446 1.00 0.00 C ATOM 197 CG GLN A 24 -26.169 -3.605 -7.867 1.00 0.00 C ATOM 198 CD GLN A 24 -26.989 -4.452 -8.842 1.00 0.00 C ATOM 199 OE1 GLN A 24 -27.564 -5.453 -8.461 1.00 0.00 O ATOM 200 NE2 GLN A 24 -27.068 -4.091 -10.093 1.00 0.00 N ATOM 0 H GLN A 24 -26.551 -4.194 -3.831 1.00 0.00 H new ATOM 0 HA GLN A 24 -24.487 -3.285 -5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -26.026 -5.185 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -27.403 -4.124 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -26.489 -2.564 -7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -25.115 -3.628 -8.146 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -26.586 -3.251 -10.413 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -27.612 -4.649 -10.751 1.00 0.00 H new ATOM 201 N ASP A 25 -25.257 -0.903 -5.805 1.00 0.00 N ATOM 202 CA ASP A 25 -25.731 0.511 -5.820 1.00 0.00 C ATOM 203 C ASP A 25 -26.487 0.783 -7.121 1.00 0.00 C ATOM 204 O ASP A 25 -26.032 0.447 -8.198 1.00 0.00 O ATOM 205 CB ASP A 25 -24.528 1.451 -5.723 1.00 0.00 C ATOM 206 CG ASP A 25 -25.014 2.899 -5.647 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.215 3.097 -5.555 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.177 3.787 -5.683 1.00 0.00 O ATOM 0 H ASP A 25 -24.281 -1.036 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 25 -26.396 0.681 -4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -23.935 1.209 -4.841 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -23.880 1.319 -6.589 1.00 0.00 H new ATOM 209 N LYS A 26 -27.639 1.390 -7.034 1.00 0.00 N ATOM 210 CA LYS A 26 -28.422 1.684 -8.267 1.00 0.00 C ATOM 211 C LYS A 26 -27.723 2.786 -9.065 1.00 0.00 C ATOM 212 O LYS A 26 -27.754 2.802 -10.280 1.00 0.00 O ATOM 213 CB LYS A 26 -29.830 2.144 -7.880 1.00 0.00 C ATOM 214 CG LYS A 26 -30.566 0.995 -7.188 1.00 0.00 C ATOM 215 CD LYS A 26 -31.993 1.433 -6.850 1.00 0.00 C ATOM 216 CE LYS A 26 -32.693 0.326 -6.060 1.00 0.00 C ATOM 217 NZ LYS A 26 -34.098 0.732 -5.774 1.00 0.00 N ATOM 0 H LYS A 26 -28.072 1.695 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.491 0.784 -8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.773 3.007 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.378 2.460 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.587 0.119 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.038 0.706 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -31.974 2.354 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.546 1.647 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -32.680 -0.604 -6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.161 0.138 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -34.574 -0.020 -5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -34.099 1.610 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -34.603 0.891 -6.669 1.00 0.00 H new ATOM 218 N LYS A 27 -27.089 3.705 -8.391 1.00 0.00 N ATOM 219 CA LYS A 27 -26.383 4.803 -9.109 1.00 0.00 C ATOM 220 C LYS A 27 -24.880 4.517 -9.116 1.00 0.00 C ATOM 221 O LYS A 27 -24.181 4.794 -8.161 1.00 0.00 O ATOM 222 CB LYS A 27 -26.648 6.131 -8.397 1.00 0.00 C ATOM 223 CG LYS A 27 -27.879 6.802 -9.012 1.00 0.00 C ATOM 224 CD LYS A 27 -27.433 7.899 -9.980 1.00 0.00 C ATOM 225 CE LYS A 27 -27.965 7.591 -11.381 1.00 0.00 C ATOM 226 NZ LYS A 27 -29.283 8.260 -11.571 1.00 0.00 N ATOM 0 H LYS A 27 -27.029 3.743 -7.373 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.748 4.864 -10.134 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -26.807 5.960 -7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -25.780 6.785 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -28.485 6.063 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -28.505 7.227 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -27.803 8.868 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.345 7.962 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -27.258 7.937 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -28.070 6.514 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -29.645 8.051 -12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -29.956 7.909 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -29.169 9.288 -11.462 1.00 0.00 H new ATOM 227 N PRO A 28 -24.379 3.941 -10.218 1.00 0.00 N ATOM 228 CA PRO A 28 -22.957 3.600 -10.364 1.00 0.00 C ATOM 229 C PRO A 28 -22.073 4.846 -10.488 1.00 0.00 C ATOM 230 O PRO A 28 -22.385 5.772 -11.209 1.00 0.00 O ATOM 231 CB PRO A 28 -22.913 2.800 -11.666 1.00 0.00 C ATOM 232 CG PRO A 28 -24.105 3.265 -12.432 1.00 0.00 C ATOM 233 CD PRO A 28 -25.162 3.577 -11.412 1.00 0.00 C ATOM 0 HA PRO A 28 -22.580 3.057 -9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.991 2.987 -12.216 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.958 1.728 -11.475 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -23.866 4.146 -13.027 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -24.447 2.496 -13.125 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -25.806 4.395 -11.736 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.807 2.718 -11.225 1.00 0.00 H new ATOM 234 N ILE A 29 -20.969 4.868 -9.791 1.00 0.00 N ATOM 235 CA ILE A 29 -20.058 6.044 -9.867 1.00 0.00 C ATOM 236 C ILE A 29 -18.734 5.618 -10.506 1.00 0.00 C ATOM 237 O ILE A 29 -18.350 4.466 -10.451 1.00 0.00 O ATOM 238 CB ILE A 29 -19.793 6.579 -8.457 1.00 0.00 C ATOM 239 CG1 ILE A 29 -19.005 7.894 -8.552 1.00 0.00 C ATOM 240 CG2 ILE A 29 -18.993 5.536 -7.666 1.00 0.00 C ATOM 241 CD1 ILE A 29 -18.248 8.152 -7.249 1.00 0.00 C ATOM 0 H ILE A 29 -20.659 4.120 -9.171 1.00 0.00 H new ATOM 0 HA ILE A 29 -20.522 6.825 -10.470 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.737 6.769 -7.945 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -18.304 7.847 -9.385 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.686 8.721 -8.755 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.801 5.911 -6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.564 4.609 -7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -18.045 5.346 -8.170 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -17.694 9.087 -7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -18.957 8.220 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -17.553 7.333 -7.064 1.00 0.00 H new ATOM 242 N GLN A 30 -18.029 6.536 -11.109 1.00 0.00 N ATOM 243 CA GLN A 30 -16.730 6.178 -11.744 1.00 0.00 C ATOM 244 C GLN A 30 -15.593 6.460 -10.760 1.00 0.00 C ATOM 245 O GLN A 30 -15.445 7.558 -10.263 1.00 0.00 O ATOM 246 CB GLN A 30 -16.535 7.013 -13.012 1.00 0.00 C ATOM 247 CG GLN A 30 -17.582 6.603 -14.051 1.00 0.00 C ATOM 248 CD GLN A 30 -17.317 7.343 -15.364 1.00 0.00 C ATOM 249 OE1 GLN A 30 -16.647 8.357 -15.380 1.00 0.00 O ATOM 250 NE2 GLN A 30 -17.819 6.875 -16.474 1.00 0.00 N ATOM 0 H GLN A 30 -18.296 7.517 -11.189 1.00 0.00 H new ATOM 0 HA GLN A 30 -16.728 5.120 -12.007 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.630 8.074 -12.781 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -15.532 6.862 -13.410 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.545 5.526 -14.215 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.582 6.836 -13.686 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -18.381 6.024 -16.461 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.649 7.360 -17.355 1.00 0.00 H new ATOM 251 N SER A 31 -14.794 5.471 -10.469 1.00 0.00 N ATOM 252 CA SER A 31 -13.673 5.677 -9.509 1.00 0.00 C ATOM 253 C SER A 31 -12.380 5.970 -10.272 1.00 0.00 C ATOM 254 O SER A 31 -12.318 5.851 -11.480 1.00 0.00 O ATOM 255 CB SER A 31 -13.489 4.414 -8.667 1.00 0.00 C ATOM 256 OG SER A 31 -12.455 3.618 -9.226 1.00 0.00 O ATOM 0 H SER A 31 -14.869 4.529 -10.854 1.00 0.00 H new ATOM 0 HA SER A 31 -13.906 6.522 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.241 4.682 -7.640 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.420 3.848 -8.633 1.00 0.00 H new ATOM 0 HG SER A 31 -12.732 3.295 -10.109 1.00 0.00 H new ATOM 257 N LEU A 32 -11.347 6.354 -9.572 1.00 0.00 N ATOM 258 CA LEU A 32 -10.055 6.657 -10.249 1.00 0.00 C ATOM 259 C LEU A 32 -9.027 5.576 -9.901 1.00 0.00 C ATOM 260 O LEU A 32 -7.925 5.568 -10.412 1.00 0.00 O ATOM 261 CB LEU A 32 -9.542 8.019 -9.774 1.00 0.00 C ATOM 262 CG LEU A 32 -9.764 8.149 -8.266 1.00 0.00 C ATOM 263 CD1 LEU A 32 -8.566 8.859 -7.633 1.00 0.00 C ATOM 264 CD2 LEU A 32 -11.034 8.962 -8.005 1.00 0.00 C ATOM 0 H LEU A 32 -11.343 6.471 -8.559 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.206 6.678 -11.328 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.482 8.122 -10.007 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.063 8.819 -10.300 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.871 7.156 -7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.724 8.952 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.661 8.281 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.458 9.851 -8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.192 9.055 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.927 9.954 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.888 8.457 -8.455 1.00 0.00 H new ATOM 265 N ASP A 33 -9.379 4.662 -9.036 1.00 0.00 N ATOM 266 CA ASP A 33 -8.419 3.584 -8.659 1.00 0.00 C ATOM 267 C ASP A 33 -8.353 2.544 -9.779 1.00 0.00 C ATOM 268 O ASP A 33 -7.646 1.560 -9.684 1.00 0.00 O ATOM 269 CB ASP A 33 -8.891 2.908 -7.371 1.00 0.00 C ATOM 270 CG ASP A 33 -8.686 3.859 -6.191 1.00 0.00 C ATOM 271 OD1 ASP A 33 -8.598 5.053 -6.425 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.619 3.377 -5.072 1.00 0.00 O ATOM 0 H ASP A 33 -10.288 4.615 -8.575 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.431 4.018 -8.504 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.943 2.637 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.336 1.984 -7.208 1.00 0.00 H new ATOM 273 N GLY A 34 -9.089 2.747 -10.838 1.00 0.00 N ATOM 274 CA GLY A 34 -9.070 1.766 -11.957 1.00 0.00 C ATOM 275 C GLY A 34 -10.281 0.837 -11.839 1.00 0.00 C ATOM 276 O GLY A 34 -10.439 -0.093 -12.604 1.00 0.00 O ATOM 0 H GLY A 34 -9.702 3.550 -10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.090 2.288 -12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.148 1.185 -11.930 1.00 0.00 H new ATOM 277 N ILE A 35 -11.140 1.082 -10.886 1.00 0.00 N ATOM 278 CA ILE A 35 -12.341 0.215 -10.723 1.00 0.00 C ATOM 279 C ILE A 35 -13.599 1.022 -11.047 1.00 0.00 C ATOM 280 O ILE A 35 -13.570 2.234 -11.119 1.00 0.00 O ATOM 281 CB ILE A 35 -12.423 -0.287 -9.279 1.00 0.00 C ATOM 282 CG1 ILE A 35 -11.049 -0.784 -8.826 1.00 0.00 C ATOM 283 CG2 ILE A 35 -13.432 -1.434 -9.200 1.00 0.00 C ATOM 284 CD1 ILE A 35 -11.020 -0.876 -7.298 1.00 0.00 C ATOM 0 H ILE A 35 -11.061 1.845 -10.214 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.265 -0.636 -11.400 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.742 0.528 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.840 -1.760 -9.264 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.271 -0.105 -9.175 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.493 -1.794 -8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.412 -1.079 -9.519 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.111 -2.247 -9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.042 -1.230 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.210 0.109 -6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.788 -1.572 -6.961 1.00 0.00 H new ATOM 285 N MET A 36 -14.706 0.358 -11.240 1.00 0.00 N ATOM 286 CA MET A 36 -15.967 1.088 -11.554 1.00 0.00 C ATOM 287 C MET A 36 -16.883 1.065 -10.329 1.00 0.00 C ATOM 288 O MET A 36 -17.498 0.063 -10.028 1.00 0.00 O ATOM 289 CB MET A 36 -16.671 0.408 -12.730 1.00 0.00 C ATOM 290 CG MET A 36 -15.840 0.596 -14.000 1.00 0.00 C ATOM 291 SD MET A 36 -16.759 -0.046 -15.422 1.00 0.00 S ATOM 292 CE MET A 36 -18.024 1.247 -15.477 1.00 0.00 C ATOM 0 H MET A 36 -14.792 -0.657 -11.194 1.00 0.00 H new ATOM 0 HA MET A 36 -15.736 2.120 -11.818 1.00 0.00 H new ATOM 0 HB2 MET A 36 -16.804 -0.654 -12.523 1.00 0.00 H new ATOM 0 HB3 MET A 36 -17.665 0.833 -12.867 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.614 1.652 -14.146 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.887 0.076 -13.904 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.346 1.397 -16.507 1.00 0.00 H new ATOM 0 HE2 MET A 36 -18.878 0.947 -14.870 1.00 0.00 H new ATOM 0 HE3 MET A 36 -17.611 2.177 -15.087 1.00 0.00 H new ATOM 293 N PHE A 37 -16.974 2.161 -9.623 1.00 0.00 N ATOM 294 CA PHE A 37 -17.848 2.216 -8.412 1.00 0.00 C ATOM 295 C PHE A 37 -17.306 1.284 -7.329 1.00 0.00 C ATOM 296 O PHE A 37 -17.025 1.707 -6.224 1.00 0.00 O ATOM 297 CB PHE A 37 -19.277 1.805 -8.778 1.00 0.00 C ATOM 298 CG PHE A 37 -20.096 1.666 -7.517 1.00 0.00 C ATOM 299 CD1 PHE A 37 -20.690 2.793 -6.937 1.00 0.00 C ATOM 300 CD2 PHE A 37 -20.258 0.407 -6.925 1.00 0.00 C ATOM 301 CE1 PHE A 37 -21.444 2.663 -5.765 1.00 0.00 C ATOM 302 CE2 PHE A 37 -21.014 0.276 -5.755 1.00 0.00 C ATOM 303 CZ PHE A 37 -21.607 1.404 -5.175 1.00 0.00 C ATOM 0 H PHE A 37 -16.477 3.027 -9.834 1.00 0.00 H new ATOM 0 HA PHE A 37 -17.855 3.237 -8.032 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -19.725 2.550 -9.436 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -19.268 0.862 -9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -20.566 3.764 -7.394 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -19.799 -0.463 -7.372 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -21.900 3.533 -5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -21.140 -0.695 -5.299 1.00 0.00 H new ATOM 0 HZ PHE A 37 -22.191 1.303 -4.272 1.00 0.00 H new ATOM 304 N ILE A 38 -17.160 0.024 -7.628 1.00 0.00 N ATOM 305 CA ILE A 38 -16.637 -0.930 -6.610 1.00 0.00 C ATOM 306 C ILE A 38 -15.476 -0.283 -5.851 1.00 0.00 C ATOM 307 O ILE A 38 -15.211 -0.611 -4.711 1.00 0.00 O ATOM 308 CB ILE A 38 -16.148 -2.204 -7.304 1.00 0.00 C ATOM 309 CG1 ILE A 38 -17.336 -2.931 -7.937 1.00 0.00 C ATOM 310 CG2 ILE A 38 -15.478 -3.118 -6.276 1.00 0.00 C ATOM 311 CD1 ILE A 38 -16.844 -4.204 -8.629 1.00 0.00 C ATOM 0 H ILE A 38 -17.381 -0.388 -8.535 1.00 0.00 H new ATOM 0 HA ILE A 38 -17.432 -1.183 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 38 -15.430 -1.942 -8.081 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -18.072 -3.181 -7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.832 -2.281 -8.658 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -15.129 -4.026 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -14.630 -2.600 -5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -16.196 -3.380 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.690 -4.723 -9.080 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -16.124 -3.942 -9.404 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.368 -4.856 -7.896 1.00 0.00 H new ATOM 312 N ASN A 39 -14.782 0.637 -6.469 1.00 0.00 N ATOM 313 CA ASN A 39 -13.645 1.298 -5.770 1.00 0.00 C ATOM 314 C ASN A 39 -14.127 1.860 -4.433 1.00 0.00 C ATOM 315 O ASN A 39 -13.581 1.555 -3.395 1.00 0.00 O ATOM 316 CB ASN A 39 -13.098 2.442 -6.622 1.00 0.00 C ATOM 317 CG ASN A 39 -11.820 2.985 -5.973 1.00 0.00 C ATOM 318 OD1 ASN A 39 -10.919 2.232 -5.660 1.00 0.00 O ATOM 319 ND2 ASN A 39 -11.704 4.266 -5.750 1.00 0.00 N ATOM 0 H ASN A 39 -14.953 0.957 -7.422 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.858 0.563 -5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.887 2.091 -7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.841 3.234 -6.709 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.858 4.633 -5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.459 4.900 -6.012 1.00 0.00 H new ATOM 320 N LYS A 40 -15.140 2.683 -4.447 1.00 0.00 N ATOM 321 CA LYS A 40 -15.641 3.259 -3.168 1.00 0.00 C ATOM 322 C LYS A 40 -15.719 2.155 -2.119 1.00 0.00 C ATOM 323 O LYS A 40 -15.231 2.288 -1.017 1.00 0.00 O ATOM 324 CB LYS A 40 -17.034 3.854 -3.376 1.00 0.00 C ATOM 325 CG LYS A 40 -16.963 4.999 -4.385 1.00 0.00 C ATOM 326 CD LYS A 40 -18.365 5.576 -4.579 1.00 0.00 C ATOM 327 CE LYS A 40 -18.910 6.051 -3.232 1.00 0.00 C ATOM 328 NZ LYS A 40 -19.959 5.104 -2.760 1.00 0.00 N ATOM 0 H LYS A 40 -15.640 2.980 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.961 4.043 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.718 3.084 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.430 4.217 -2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.283 5.773 -4.029 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.568 4.640 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.334 6.406 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.025 4.821 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.103 6.111 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.327 7.053 -3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.077 5.201 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.860 5.319 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.674 4.130 -2.985 1.00 0.00 H new ATOM 329 N CYS A 41 -16.330 1.064 -2.467 1.00 0.00 N ATOM 330 CA CYS A 41 -16.453 -0.072 -1.514 1.00 0.00 C ATOM 331 C CYS A 41 -15.067 -0.660 -1.242 1.00 0.00 C ATOM 332 O CYS A 41 -14.685 -0.892 -0.113 1.00 0.00 O ATOM 333 CB CYS A 41 -17.330 -1.145 -2.152 1.00 0.00 C ATOM 334 SG CYS A 41 -17.907 -2.312 -0.895 1.00 0.00 S ATOM 0 H CYS A 41 -16.755 0.906 -3.381 1.00 0.00 H new ATOM 0 HA CYS A 41 -16.893 0.272 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -18.183 -0.681 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.767 -1.676 -2.920 1.00 0.00 H new ATOM 335 N ALA A 42 -14.321 -0.915 -2.282 1.00 0.00 N ATOM 336 CA ALA A 42 -12.963 -1.508 -2.110 1.00 0.00 C ATOM 337 C ALA A 42 -12.014 -0.502 -1.448 1.00 0.00 C ATOM 338 O ALA A 42 -11.003 -0.876 -0.885 1.00 0.00 O ATOM 339 CB ALA A 42 -12.405 -1.899 -3.480 1.00 0.00 C ATOM 0 H ALA A 42 -14.595 -0.737 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.044 -2.388 -1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.412 -2.333 -3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.066 -2.630 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.339 -1.014 -4.112 1.00 0.00 H new ATOM 340 N THR A 43 -12.313 0.767 -1.512 1.00 0.00 N ATOM 341 CA THR A 43 -11.404 1.769 -0.887 1.00 0.00 C ATOM 342 C THR A 43 -12.007 2.268 0.425 1.00 0.00 C ATOM 343 O THR A 43 -11.314 2.478 1.400 1.00 0.00 O ATOM 344 CB THR A 43 -11.214 2.952 -1.842 1.00 0.00 C ATOM 345 OG1 THR A 43 -12.475 3.336 -2.371 1.00 0.00 O ATOM 346 CG2 THR A 43 -10.278 2.548 -2.983 1.00 0.00 C ATOM 0 H THR A 43 -13.141 1.151 -1.967 1.00 0.00 H new ATOM 0 HA THR A 43 -10.440 1.302 -0.686 1.00 0.00 H new ATOM 0 HB THR A 43 -10.776 3.790 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.903 2.561 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.145 3.391 -3.660 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.311 2.255 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.710 1.709 -3.529 1.00 0.00 H new ATOM 347 N CYS A 44 -13.293 2.470 0.451 1.00 0.00 N ATOM 348 CA CYS A 44 -13.946 2.967 1.695 1.00 0.00 C ATOM 349 C CYS A 44 -13.899 1.892 2.779 1.00 0.00 C ATOM 350 O CYS A 44 -14.065 2.174 3.946 1.00 0.00 O ATOM 351 CB CYS A 44 -15.394 3.337 1.392 1.00 0.00 C ATOM 352 SG CYS A 44 -15.409 4.724 0.232 1.00 0.00 S ATOM 0 H CYS A 44 -13.922 2.313 -0.336 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.413 3.848 2.054 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -15.921 2.483 0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -15.915 3.607 2.311 1.00 0.00 H new ATOM 353 N LYS A 45 -13.673 0.663 2.414 1.00 0.00 N ATOM 354 CA LYS A 45 -13.612 -0.406 3.448 1.00 0.00 C ATOM 355 C LYS A 45 -12.437 -0.121 4.384 1.00 0.00 C ATOM 356 O LYS A 45 -12.539 -0.262 5.586 1.00 0.00 O ATOM 357 CB LYS A 45 -13.420 -1.766 2.774 1.00 0.00 C ATOM 358 CG LYS A 45 -13.545 -2.877 3.818 1.00 0.00 C ATOM 359 CD LYS A 45 -13.338 -4.235 3.144 1.00 0.00 C ATOM 360 CE LYS A 45 -13.480 -5.347 4.185 1.00 0.00 C ATOM 361 NZ LYS A 45 -14.493 -6.335 3.718 1.00 0.00 N ATOM 0 H LYS A 45 -13.529 0.353 1.453 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.541 -0.423 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.165 -1.904 1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.442 -1.811 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.807 -2.734 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.527 -2.839 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.069 -4.373 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.351 -4.278 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.520 -5.840 4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.781 -4.926 5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.591 -7.092 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.409 -5.859 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.187 -6.744 2.812 1.00 0.00 H new ATOM 362 N MET A 46 -11.325 0.294 3.841 1.00 0.00 N ATOM 363 CA MET A 46 -10.149 0.606 4.699 1.00 0.00 C ATOM 364 C MET A 46 -10.290 2.034 5.227 1.00 0.00 C ATOM 365 O MET A 46 -9.789 2.373 6.281 1.00 0.00 O ATOM 366 CB MET A 46 -8.865 0.483 3.876 1.00 0.00 C ATOM 367 CG MET A 46 -8.679 -0.971 3.438 1.00 0.00 C ATOM 368 SD MET A 46 -7.081 -1.151 2.605 1.00 0.00 S ATOM 369 CE MET A 46 -7.360 -2.809 1.936 1.00 0.00 C ATOM 0 H MET A 46 -11.181 0.430 2.840 1.00 0.00 H new ATOM 0 HA MET A 46 -10.102 -0.093 5.534 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.916 1.134 3.003 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.009 0.809 4.467 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.726 -1.632 4.304 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.486 -1.266 2.767 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.482 -3.127 1.373 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.538 -3.506 2.755 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.228 -2.794 1.277 1.00 0.00 H new ATOM 370 N ILE A 47 -10.980 2.871 4.501 1.00 0.00 N ATOM 371 CA ILE A 47 -11.170 4.277 4.953 1.00 0.00 C ATOM 372 C ILE A 47 -12.354 4.334 5.919 1.00 0.00 C ATOM 373 O ILE A 47 -12.472 5.239 6.722 1.00 0.00 O ATOM 374 CB ILE A 47 -11.456 5.166 3.739 1.00 0.00 C ATOM 375 CG1 ILE A 47 -10.223 5.209 2.833 1.00 0.00 C ATOM 376 CG2 ILE A 47 -11.796 6.583 4.206 1.00 0.00 C ATOM 377 CD1 ILE A 47 -8.974 5.465 3.677 1.00 0.00 C ATOM 0 H ILE A 47 -11.422 2.640 3.611 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.269 4.630 5.455 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.300 4.756 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.123 4.267 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.336 5.994 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.999 7.213 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.677 6.553 4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.955 6.994 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.097 5.495 3.030 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.075 6.418 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.858 4.664 4.408 1.00 0.00 H new ATOM 378 N LEU A 48 -13.234 3.372 5.847 1.00 0.00 N ATOM 379 CA LEU A 48 -14.413 3.365 6.757 1.00 0.00 C ATOM 380 C LEU A 48 -14.024 2.697 8.077 1.00 0.00 C ATOM 381 O LEU A 48 -14.692 2.847 9.081 1.00 0.00 O ATOM 382 CB LEU A 48 -15.556 2.588 6.098 1.00 0.00 C ATOM 383 CG LEU A 48 -16.825 2.694 6.952 1.00 0.00 C ATOM 384 CD1 LEU A 48 -17.001 4.133 7.447 1.00 0.00 C ATOM 385 CD2 LEU A 48 -18.039 2.297 6.109 1.00 0.00 C ATOM 0 H LEU A 48 -13.186 2.589 5.195 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.739 4.387 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.746 2.982 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.274 1.542 5.979 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.737 2.027 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.904 4.201 8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.138 4.419 8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.086 4.804 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.942 2.372 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.121 2.965 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.920 1.271 5.760 1.00 0.00 H new ATOM 386 N GLU A 49 -12.945 1.963 8.083 1.00 0.00 N ATOM 387 CA GLU A 49 -12.508 1.289 9.337 1.00 0.00 C ATOM 388 C GLU A 49 -11.793 2.305 10.230 1.00 0.00 C ATOM 389 O GLU A 49 -11.808 2.202 11.440 1.00 0.00 O ATOM 390 CB GLU A 49 -11.551 0.146 8.996 1.00 0.00 C ATOM 391 CG GLU A 49 -12.352 -1.066 8.516 1.00 0.00 C ATOM 392 CD GLU A 49 -11.398 -2.227 8.230 1.00 0.00 C ATOM 393 OE1 GLU A 49 -10.205 -2.044 8.408 1.00 0.00 O ATOM 394 OE2 GLU A 49 -11.876 -3.278 7.837 1.00 0.00 O ATOM 0 H GLU A 49 -12.347 1.801 7.273 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.376 0.888 9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.851 0.462 8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.959 -0.120 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.080 -1.357 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.913 -0.812 7.616 1.00 0.00 H new ATOM 395 N LYS A 50 -11.169 3.288 9.640 1.00 0.00 N ATOM 396 CA LYS A 50 -10.457 4.312 10.454 1.00 0.00 C ATOM 397 C LYS A 50 -11.469 5.057 11.324 1.00 0.00 C ATOM 398 O LYS A 50 -11.184 5.434 12.443 1.00 0.00 O ATOM 399 CB LYS A 50 -9.753 5.305 9.525 1.00 0.00 C ATOM 400 CG LYS A 50 -8.705 4.568 8.688 1.00 0.00 C ATOM 401 CD LYS A 50 -8.002 5.561 7.761 1.00 0.00 C ATOM 402 CE LYS A 50 -6.983 4.817 6.895 1.00 0.00 C ATOM 403 NZ LYS A 50 -6.875 5.488 5.569 1.00 0.00 N ATOM 0 H LYS A 50 -11.122 3.426 8.630 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.717 3.825 11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.481 5.787 8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.278 6.092 10.110 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.977 4.085 9.340 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.180 3.781 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.733 6.065 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.503 6.332 8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.011 4.804 7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.289 3.779 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.036 4.792 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.588 6.242 5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.925 5.899 5.464 1.00 0.00 H new ATOM 404 N GLU A 51 -12.655 5.268 10.820 1.00 0.00 N ATOM 405 CA GLU A 51 -13.688 5.985 11.618 1.00 0.00 C ATOM 406 C GLU A 51 -13.878 5.268 12.956 1.00 0.00 C ATOM 407 O GLU A 51 -14.078 5.889 13.981 1.00 0.00 O ATOM 408 CB GLU A 51 -15.011 5.994 10.850 1.00 0.00 C ATOM 409 CG GLU A 51 -14.836 6.771 9.543 1.00 0.00 C ATOM 410 CD GLU A 51 -16.171 6.828 8.801 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.113 6.208 9.267 1.00 0.00 O ATOM 412 OE2 GLU A 51 -16.232 7.492 7.778 1.00 0.00 O ATOM 0 H GLU A 51 -12.952 4.974 9.890 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.367 7.011 11.795 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.328 4.973 10.639 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.793 6.452 11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.481 7.780 9.752 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.082 6.290 8.920 1.00 0.00 H new ATOM 413 N ALA A 52 -13.815 3.965 12.955 1.00 0.00 N ATOM 414 CA ALA A 52 -13.989 3.210 14.227 1.00 0.00 C ATOM 415 C ALA A 52 -12.848 3.562 15.184 1.00 0.00 C ATOM 416 O ALA A 52 -12.993 3.503 16.389 1.00 0.00 O ATOM 417 CB ALA A 52 -13.965 1.707 13.938 1.00 0.00 C ATOM 0 H ALA A 52 -13.651 3.391 12.128 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.944 3.476 14.681 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.092 1.155 14.869 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.775 1.455 13.253 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.011 1.439 13.485 1.00 0.00 H new ATOM 418 N LYS A 53 -11.713 3.932 14.656 1.00 0.00 N ATOM 419 CA LYS A 53 -10.564 4.291 15.533 1.00 0.00 C ATOM 420 C LYS A 53 -10.924 5.525 16.363 1.00 0.00 C ATOM 421 O LYS A 53 -10.489 5.678 17.486 1.00 0.00 O ATOM 422 CB LYS A 53 -9.340 4.597 14.667 1.00 0.00 C ATOM 423 CG LYS A 53 -8.136 4.881 15.567 1.00 0.00 C ATOM 424 CD LYS A 53 -6.940 5.289 14.704 1.00 0.00 C ATOM 425 CE LYS A 53 -5.699 5.434 15.588 1.00 0.00 C ATOM 426 NZ LYS A 53 -4.708 6.316 14.910 1.00 0.00 N ATOM 0 H LYS A 53 -11.532 4.001 13.654 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.339 3.458 16.199 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.126 3.754 14.011 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.540 5.456 14.027 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.376 5.675 16.274 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.890 3.996 16.154 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.764 4.541 13.931 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.149 6.230 14.195 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.975 5.855 16.555 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.260 4.455 15.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.864 6.415 15.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.437 5.897 13.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.130 7.253 14.749 1.00 0.00 H new ATOM 427 N SER A 54 -11.718 6.406 15.817 1.00 0.00 N ATOM 428 CA SER A 54 -12.107 7.629 16.575 1.00 0.00 C ATOM 429 C SER A 54 -12.869 7.223 17.838 1.00 0.00 C ATOM 430 O SER A 54 -12.863 7.924 18.830 1.00 0.00 O ATOM 431 CB SER A 54 -13.001 8.508 15.699 1.00 0.00 C ATOM 432 OG SER A 54 -12.345 8.773 14.468 1.00 0.00 O ATOM 0 H SER A 54 -12.114 6.332 14.880 1.00 0.00 H new ATOM 0 HA SER A 54 -11.212 8.186 16.854 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.953 8.009 15.516 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.225 9.443 16.212 1.00 0.00 H new ATOM 0 HG SER A 54 -12.919 9.335 13.906 1.00 0.00 H new ATOM 433 N GLN A 55 -13.527 6.096 17.809 1.00 0.00 N ATOM 434 CA GLN A 55 -14.289 5.646 19.007 1.00 0.00 C ATOM 435 C GLN A 55 -13.394 4.764 19.880 1.00 0.00 C ATOM 436 O GLN A 55 -12.369 4.323 19.385 1.00 0.00 O ATOM 437 CB GLN A 55 -15.515 4.847 18.561 1.00 0.00 C ATOM 438 CG GLN A 55 -16.365 4.493 19.783 1.00 0.00 C ATOM 439 CD GLN A 55 -17.598 3.705 19.336 1.00 0.00 C ATOM 440 OE1 GLN A 55 -17.853 3.571 18.156 1.00 0.00 O ATOM 441 NE2 GLN A 55 -18.377 3.172 20.237 1.00 0.00 N ATOM 442 OXT GLN A 55 -13.748 4.546 21.026 1.00 0.00 O ATOM 0 H GLN A 55 -13.569 5.468 17.007 1.00 0.00 H new ATOM 0 HA GLN A 55 -14.611 6.515 19.580 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -16.103 5.429 17.852 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -15.203 3.938 18.046 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -15.779 3.903 20.488 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.670 5.401 20.303 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -18.162 3.285 21.228 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -19.200 2.643 19.950 1.00 0.00 H new TER 443 GLN A 55