USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=17 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 27 ASN : amide:sc= -14! C(o=-20!,f=-40!) USER MOD Set 1.2: A 29 GLN : amide:sc= -6.66! C(o=-20!,f=-36!) USER MOD Set 1.3: A 101 SER OG : rot 64:sc= 0.642 USER MOD Set 2.1: A 12 ASN : amide:sc= -1.79! C(o=-1.6!,f=-2.3!) USER MOD Set 2.2: A 16 GLN : amide:sc= 0.186 X(o=-1.6,f=-2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -1.63 F(o=-3.4!,f=-1.6) USER MOD Single : A 24 SER OG : rot -170:sc= 0.0617 USER MOD Single : A 34 THR OG1 : rot 173:sc= 0.00145 USER MOD Single : A 35 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 42 HIS : no HD1:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -160:sc= 0.154 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -4.06! C(o=-4.1!,f=-4.4!) USER MOD Single : A 60 ASN : amide:sc= -0.0409 K(o=-0.041,f=-2.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -3.97! C(o=-4!,f=-4.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HE2:sc= -5.32! C(o=-6!,f=-5.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -3.23 F(o=-5.5!,f=-3.2) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.408) USER MOD Single : A 88 GLN :FLIP amide:sc= -1.38 F(o=-2!,f=-1.4) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl -164:sc= -6.34! (180deg=-7.01!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 97 GLN : amide:sc=-0.000379 K(o=-0.00038,f=-1.3) USER MOD Single : A 99 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.13) USER MOD Single : A 100 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.31) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -5.15! C(o=-6.6!,f=-5.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= -0.0186 (180deg=-0.215) USER MOD Single : A 113 ASN : amide:sc= -2.76! C(o=-2.8!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 7 -9.019 -8.748 -6.750 1.00 0.00 N ATOM 49 CA TYR A 7 -8.474 -7.584 -7.429 1.00 0.00 C ATOM 50 C TYR A 7 -7.916 -6.574 -6.424 1.00 0.00 C ATOM 51 O TYR A 7 -6.929 -5.896 -6.704 1.00 0.00 O ATOM 52 CB TYR A 7 -9.645 -6.946 -8.179 1.00 0.00 C ATOM 53 CG TYR A 7 -10.125 -7.755 -9.385 1.00 0.00 C ATOM 54 CD1 TYR A 7 -9.266 -8.008 -10.434 1.00 0.00 C ATOM 55 CD2 TYR A 7 -11.420 -8.233 -9.425 1.00 0.00 C ATOM 56 CE1 TYR A 7 -9.719 -8.769 -11.570 1.00 0.00 C ATOM 57 CE2 TYR A 7 -11.874 -8.993 -10.559 1.00 0.00 C ATOM 58 CZ TYR A 7 -11.000 -9.224 -11.577 1.00 0.00 C ATOM 0 HA TYR A 7 -7.660 -7.874 -8.094 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -10.478 -6.814 -7.488 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.350 -5.952 -8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.253 -7.635 -10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -12.093 -8.036 -8.604 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.056 -8.974 -12.398 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -12.885 -9.371 -10.602 1.00 0.00 H new ATOM 59 N ARG A 8 -8.572 -6.507 -5.275 1.00 0.00 N ATOM 60 CA ARG A 8 -8.155 -5.590 -4.228 1.00 0.00 C ATOM 61 C ARG A 8 -7.621 -6.369 -3.024 1.00 0.00 C ATOM 62 O ARG A 8 -7.400 -7.577 -3.110 1.00 0.00 O ATOM 63 CB ARG A 8 -9.317 -4.702 -3.778 1.00 0.00 C ATOM 64 CG ARG A 8 -9.023 -3.229 -4.063 1.00 0.00 C ATOM 65 CD ARG A 8 -10.285 -2.497 -4.524 1.00 0.00 C ATOM 66 NE ARG A 8 -10.655 -1.456 -3.539 1.00 0.00 N ATOM 67 CZ ARG A 8 -9.926 -0.359 -3.297 1.00 0.00 C ATOM 0 H ARG A 8 -9.389 -7.073 -5.046 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.367 -4.957 -4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.229 -5.001 -4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.494 -4.841 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.630 -2.753 -3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.252 -3.150 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.115 -2.042 -5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.104 -3.206 -4.641 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.519 -1.582 -3.012 1.00 0.00 H new ATOM 68 N ILE A 9 -7.427 -5.647 -1.930 1.00 0.00 N ATOM 69 CA ILE A 9 -6.923 -6.255 -0.711 1.00 0.00 C ATOM 70 C ILE A 9 -8.089 -6.510 0.247 1.00 0.00 C ATOM 71 O ILE A 9 -8.860 -5.599 0.548 1.00 0.00 O ATOM 72 CB ILE A 9 -5.807 -5.400 -0.108 1.00 0.00 C ATOM 73 CG1 ILE A 9 -5.073 -4.612 -1.194 1.00 0.00 C ATOM 74 CG2 ILE A 9 -4.851 -6.255 0.726 1.00 0.00 C ATOM 75 CD1 ILE A 9 -4.206 -5.536 -2.051 1.00 0.00 C ATOM 0 H ILE A 9 -7.610 -4.646 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.470 -7.223 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.260 -4.673 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.796 -4.097 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.449 -3.846 -0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.067 -5.623 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.402 -6.732 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.401 -7.020 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.695 -4.950 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.468 -6.031 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.836 -6.286 -2.529 1.00 0.00 H new ATOM 76 N LYS A 10 -8.181 -7.751 0.700 1.00 0.00 N ATOM 77 CA LYS A 10 -9.240 -8.137 1.616 1.00 0.00 C ATOM 78 C LYS A 10 -8.638 -8.928 2.780 1.00 0.00 C ATOM 79 O LYS A 10 -9.365 -9.457 3.618 1.00 0.00 O ATOM 80 CB LYS A 10 -10.347 -8.886 0.872 1.00 0.00 C ATOM 81 CG LYS A 10 -11.688 -8.741 1.596 1.00 0.00 C ATOM 82 CD LYS A 10 -12.783 -8.278 0.632 1.00 0.00 C ATOM 83 CE LYS A 10 -13.749 -7.313 1.323 1.00 0.00 C ATOM 84 NZ LYS A 10 -14.957 -8.033 1.787 1.00 0.00 N ATOM 0 H LYS A 10 -7.539 -8.503 0.450 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.716 -7.253 2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.434 -8.499 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.086 -9.941 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.970 -9.695 2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.590 -8.025 2.412 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -12.330 -7.789 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.332 -9.142 0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.254 -6.838 2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.034 -6.519 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.602 -7.364 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.437 -8.466 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.681 -8.775 2.461 1.00 0.00 H new ATOM 85 N LYS A 11 -7.314 -8.984 2.793 1.00 0.00 N ATOM 86 CA LYS A 11 -6.606 -9.701 3.839 1.00 0.00 C ATOM 87 C LYS A 11 -5.258 -9.023 4.094 1.00 0.00 C ATOM 88 O LYS A 11 -4.403 -8.980 3.210 1.00 0.00 O ATOM 89 CB LYS A 11 -6.490 -11.185 3.488 1.00 0.00 C ATOM 90 CG LYS A 11 -7.692 -11.969 4.019 1.00 0.00 C ATOM 91 CD LYS A 11 -7.606 -13.444 3.617 1.00 0.00 C ATOM 92 CE LYS A 11 -8.226 -14.341 4.690 1.00 0.00 C ATOM 93 NZ LYS A 11 -7.211 -15.265 5.243 1.00 0.00 N ATOM 0 H LYS A 11 -6.713 -8.544 2.096 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.166 -9.661 4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.424 -11.303 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.571 -11.592 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.734 -11.886 5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.614 -11.536 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.120 -13.597 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.564 -13.723 3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.642 -13.728 5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.051 -14.911 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.649 -15.867 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.833 -15.863 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.437 -14.716 5.668 1.00 0.00 H new ATOM 94 N ASN A 12 -5.109 -8.511 5.307 1.00 0.00 N ATOM 95 CA ASN A 12 -3.879 -7.838 5.690 1.00 0.00 C ATOM 96 C ASN A 12 -2.686 -8.735 5.355 1.00 0.00 C ATOM 97 O ASN A 12 -1.694 -8.271 4.795 1.00 0.00 O ATOM 98 CB ASN A 12 -3.851 -7.554 7.192 1.00 0.00 C ATOM 99 CG ASN A 12 -3.907 -8.854 7.997 1.00 0.00 C ATOM 100 OD1 ASN A 12 -2.898 -9.460 8.317 1.00 0.00 O ATOM 101 ND2 ASN A 12 -5.140 -9.247 8.305 1.00 0.00 N ATOM 0 H ASN A 12 -5.820 -8.549 6.038 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.827 -6.896 5.145 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -2.944 -7.004 7.445 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.695 -6.919 7.461 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.284 -10.103 8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.942 -8.692 8.006 1.00 0.00 H new ATOM 102 N ALA A 13 -2.822 -10.004 5.712 1.00 0.00 N ATOM 103 CA ALA A 13 -1.768 -10.970 5.456 1.00 0.00 C ATOM 104 C ALA A 13 -1.202 -10.743 4.052 1.00 0.00 C ATOM 105 O ALA A 13 -0.001 -10.537 3.889 1.00 0.00 O ATOM 106 CB ALA A 13 -2.316 -12.386 5.641 1.00 0.00 C ATOM 0 H ALA A 13 -3.646 -10.385 6.176 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.951 -10.841 6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.525 -13.110 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.677 -12.506 6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.137 -12.552 4.944 1.00 0.00 H new ATOM 107 N ASP A 14 -2.096 -10.788 3.076 1.00 0.00 N ATOM 108 CA ASP A 14 -1.703 -10.591 1.691 1.00 0.00 C ATOM 109 C ASP A 14 -0.850 -9.325 1.583 1.00 0.00 C ATOM 110 O ASP A 14 0.104 -9.277 0.808 1.00 0.00 O ATOM 111 CB ASP A 14 -2.925 -10.415 0.789 1.00 0.00 C ATOM 112 CG ASP A 14 -3.472 -8.989 0.710 1.00 0.00 C ATOM 113 OD1 ASP A 14 -2.652 -8.081 0.454 1.00 0.00 O ATOM 114 OD2 ASP A 14 -4.697 -8.839 0.908 1.00 0.00 O ATOM 0 H ASP A 14 -3.092 -10.958 3.217 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.144 -11.471 1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.665 -10.744 -0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.718 -11.073 1.145 1.00 0.00 H new ATOM 115 N PHE A 15 -1.226 -8.329 2.373 1.00 0.00 N ATOM 116 CA PHE A 15 -0.509 -7.065 2.377 1.00 0.00 C ATOM 117 C PHE A 15 0.822 -7.192 3.121 1.00 0.00 C ATOM 118 O PHE A 15 1.844 -6.681 2.664 1.00 0.00 O ATOM 119 CB PHE A 15 -1.392 -6.051 3.107 1.00 0.00 C ATOM 120 CG PHE A 15 -1.742 -4.817 2.273 1.00 0.00 C ATOM 121 CD1 PHE A 15 -1.965 -4.939 0.937 1.00 0.00 C ATOM 122 CD2 PHE A 15 -1.830 -3.597 2.868 1.00 0.00 C ATOM 123 CE1 PHE A 15 -2.290 -3.793 0.164 1.00 0.00 C ATOM 124 CE2 PHE A 15 -2.154 -2.452 2.096 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.377 -2.574 0.759 1.00 0.00 C ATOM 0 H PHE A 15 -2.018 -8.372 3.015 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.295 -6.756 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.315 -6.543 3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.884 -5.730 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.895 -5.907 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.653 -3.500 3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.468 -3.890 -0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.224 -1.484 2.569 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.623 -1.702 0.171 1.00 0.00 H new ATOM 126 N GLN A 16 0.767 -7.877 4.253 1.00 0.00 N ATOM 127 CA GLN A 16 1.956 -8.078 5.065 1.00 0.00 C ATOM 128 C GLN A 16 2.997 -8.888 4.290 1.00 0.00 C ATOM 129 O GLN A 16 4.191 -8.601 4.359 1.00 0.00 O ATOM 130 CB GLN A 16 1.607 -8.758 6.389 1.00 0.00 C ATOM 131 CG GLN A 16 0.270 -8.249 6.933 1.00 0.00 C ATOM 132 CD GLN A 16 0.389 -7.866 8.409 1.00 0.00 C ATOM 133 OE1 GLN A 16 1.052 -6.911 8.778 1.00 0.00 O ATOM 134 NE2 GLN A 16 -0.290 -8.662 9.231 1.00 0.00 N ATOM 0 H GLN A 16 -0.082 -8.300 4.628 1.00 0.00 H new ATOM 0 HA GLN A 16 2.383 -7.102 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.558 -9.837 6.245 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.395 -8.569 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.057 -7.385 6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.492 -9.019 6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.825 -9.445 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.275 -8.489 10.236 1.00 0.00 H new ATOM 135 N ARG A 17 2.506 -9.885 3.568 1.00 0.00 N ATOM 136 CA ARG A 17 3.380 -10.739 2.780 1.00 0.00 C ATOM 137 C ARG A 17 4.313 -9.890 1.914 1.00 0.00 C ATOM 138 O ARG A 17 5.504 -10.181 1.809 1.00 0.00 O ATOM 139 CB ARG A 17 2.570 -11.673 1.879 1.00 0.00 C ATOM 140 CG ARG A 17 2.123 -12.921 2.644 1.00 0.00 C ATOM 141 CD ARG A 17 1.594 -13.991 1.687 1.00 0.00 C ATOM 142 NE ARG A 17 0.976 -15.095 2.454 1.00 0.00 N ATOM 143 CZ ARG A 17 0.207 -16.049 1.912 1.00 0.00 C ATOM 0 H ARG A 17 1.515 -10.121 3.512 1.00 0.00 H new ATOM 0 HA ARG A 17 3.969 -11.340 3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.697 -11.146 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.171 -11.966 1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.961 -13.321 3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.347 -12.654 3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.861 -13.554 1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.408 -14.375 1.072 1.00 0.00 H new ATOM 0 HE ARG A 17 1.146 -15.132 3.459 1.00 0.00 H new ATOM 144 N ILE A 18 3.737 -8.857 1.318 1.00 0.00 N ATOM 145 CA ILE A 18 4.502 -7.963 0.465 1.00 0.00 C ATOM 146 C ILE A 18 5.625 -7.322 1.282 1.00 0.00 C ATOM 147 O ILE A 18 6.803 -7.561 1.022 1.00 0.00 O ATOM 148 CB ILE A 18 3.579 -6.949 -0.214 1.00 0.00 C ATOM 149 CG1 ILE A 18 2.277 -7.611 -0.667 1.00 0.00 C ATOM 150 CG2 ILE A 18 4.295 -6.243 -1.368 1.00 0.00 C ATOM 151 CD1 ILE A 18 1.599 -6.791 -1.767 1.00 0.00 C ATOM 0 H ILE A 18 2.749 -8.619 1.409 1.00 0.00 H new ATOM 0 HA ILE A 18 4.974 -8.520 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 18 3.314 -6.185 0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.484 -8.616 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.602 -7.714 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.617 -5.528 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.170 -5.718 -0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.608 -6.980 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.675 -7.284 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.371 -5.794 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.267 -6.710 -2.625 1.00 0.00 H new ATOM 152 N TYR A 19 5.220 -6.518 2.255 1.00 0.00 N ATOM 153 CA TYR A 19 6.177 -5.840 3.113 1.00 0.00 C ATOM 154 C TYR A 19 7.154 -6.837 3.741 1.00 0.00 C ATOM 155 O TYR A 19 8.204 -6.448 4.247 1.00 0.00 O ATOM 156 CB TYR A 19 5.356 -5.181 4.223 1.00 0.00 C ATOM 157 CG TYR A 19 4.722 -3.848 3.820 1.00 0.00 C ATOM 158 CD1 TYR A 19 3.574 -3.833 3.056 1.00 0.00 C ATOM 159 CD2 TYR A 19 5.300 -2.661 4.222 1.00 0.00 C ATOM 160 CE1 TYR A 19 2.977 -2.578 2.676 1.00 0.00 C ATOM 161 CE2 TYR A 19 4.704 -1.406 3.842 1.00 0.00 C ATOM 162 CZ TYR A 19 3.571 -1.427 3.089 1.00 0.00 C ATOM 0 H TYR A 19 4.242 -6.321 2.468 1.00 0.00 H new ATOM 0 HA TYR A 19 6.761 -5.119 2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.568 -5.867 4.534 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.998 -5.019 5.089 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.122 -4.762 2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.199 -2.673 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.079 -2.552 2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.146 -0.469 4.148 1.00 0.00 H new ATOM 163 N LYS A 20 6.771 -8.105 3.688 1.00 0.00 N ATOM 164 CA LYS A 20 7.599 -9.160 4.245 1.00 0.00 C ATOM 165 C LYS A 20 8.802 -9.395 3.330 1.00 0.00 C ATOM 166 O LYS A 20 9.863 -8.803 3.529 1.00 0.00 O ATOM 167 CB LYS A 20 6.765 -10.418 4.497 1.00 0.00 C ATOM 168 CG LYS A 20 6.720 -10.755 5.990 1.00 0.00 C ATOM 169 CD LYS A 20 5.459 -10.183 6.643 1.00 0.00 C ATOM 170 CE LYS A 20 5.609 -10.123 8.164 1.00 0.00 C ATOM 171 NZ LYS A 20 4.398 -9.540 8.781 1.00 0.00 N ATOM 0 H LYS A 20 5.898 -8.425 3.268 1.00 0.00 H new ATOM 0 HA LYS A 20 7.990 -8.863 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.752 -10.268 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.188 -11.256 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.744 -11.837 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.604 -10.353 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.265 -9.184 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.599 -10.800 6.383 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.779 -11.125 8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.482 -9.525 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.516 -9.507 9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.253 -8.576 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.572 -10.127 8.546 1.00 0.00 H new ATOM 172 N LYS A 21 8.599 -10.259 2.348 1.00 0.00 N ATOM 173 CA LYS A 21 9.655 -10.579 1.402 1.00 0.00 C ATOM 174 C LYS A 21 9.451 -9.767 0.121 1.00 0.00 C ATOM 175 O LYS A 21 10.386 -9.575 -0.653 1.00 0.00 O ATOM 176 CB LYS A 21 9.726 -12.090 1.167 1.00 0.00 C ATOM 177 CG LYS A 21 8.465 -12.594 0.462 1.00 0.00 C ATOM 178 CD LYS A 21 8.065 -13.978 0.978 1.00 0.00 C ATOM 179 CE LYS A 21 6.543 -14.106 1.075 1.00 0.00 C ATOM 180 NZ LYS A 21 6.154 -14.693 2.377 1.00 0.00 N ATOM 0 H LYS A 21 7.719 -10.748 2.186 1.00 0.00 H new ATOM 0 HA LYS A 21 10.627 -10.297 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.603 -12.327 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.845 -12.605 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.648 -11.891 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.638 -12.639 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.457 -14.746 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.511 -14.148 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.082 -13.125 0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.172 -14.731 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.118 -14.773 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.579 -15.637 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.491 -14.082 3.148 1.00 0.00 H new ATOM 181 N GLY A 22 8.220 -9.313 -0.062 1.00 0.00 N ATOM 182 CA GLY A 22 7.878 -8.526 -1.236 1.00 0.00 C ATOM 183 C GLY A 22 9.033 -7.603 -1.630 1.00 0.00 C ATOM 184 O GLY A 22 9.882 -7.275 -0.801 1.00 0.00 O ATOM 0 H GLY A 22 7.446 -9.475 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.638 -9.190 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.986 -7.933 -1.034 1.00 0.00 H new ATOM 185 N HIS A 23 9.028 -7.207 -2.895 1.00 0.00 N ATOM 186 CA HIS A 23 10.064 -6.328 -3.408 1.00 0.00 C ATOM 187 C HIS A 23 9.426 -5.048 -3.953 1.00 0.00 C ATOM 188 O HIS A 23 8.630 -5.096 -4.888 1.00 0.00 O ATOM 189 CB HIS A 23 10.923 -7.050 -4.448 1.00 0.00 C ATOM 190 CG HIS A 23 10.439 -6.883 -5.869 1.00 0.00 C ATOM 191 ND1 HIS A 23 10.381 -5.777 -6.666 1.00 0.00 N flip ATOM 192 CD2 HIS A 23 9.942 -7.933 -6.620 1.00 0.00 C flip ATOM 193 CE1 HIS A 23 9.877 -6.134 -7.841 1.00 0.00 C flip ATOM 194 NE2 HIS A 23 9.604 -7.470 -7.815 1.00 0.00 N flip ATOM 0 H HIS A 23 8.322 -7.479 -3.579 1.00 0.00 H new ATOM 0 HA HIS A 23 10.737 -6.043 -2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.946 -6.681 -4.378 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.950 -8.113 -4.207 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.846 -8.956 -6.289 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.710 -5.475 -8.680 1.00 0.00 H new ATOM 0 HE2 HIS A 23 9.209 -8.017 -8.580 1.00 0.00 H new ATOM 195 N SER A 24 9.802 -3.933 -3.343 1.00 0.00 N ATOM 196 CA SER A 24 9.278 -2.642 -3.755 1.00 0.00 C ATOM 197 C SER A 24 10.271 -1.947 -4.688 1.00 0.00 C ATOM 198 O SER A 24 11.467 -2.232 -4.651 1.00 0.00 O ATOM 199 CB SER A 24 8.980 -1.757 -2.542 1.00 0.00 C ATOM 200 OG SER A 24 10.127 -1.578 -1.717 1.00 0.00 O ATOM 0 H SER A 24 10.463 -3.897 -2.567 1.00 0.00 H new ATOM 0 HA SER A 24 8.343 -2.807 -4.290 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.623 -0.785 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.178 -2.204 -1.955 1.00 0.00 H new ATOM 0 HG SER A 24 9.863 -1.142 -0.880 1.00 0.00 H new ATOM 201 N VAL A 25 9.739 -1.048 -5.503 1.00 0.00 N ATOM 202 CA VAL A 25 10.563 -0.310 -6.445 1.00 0.00 C ATOM 203 C VAL A 25 10.385 1.191 -6.205 1.00 0.00 C ATOM 204 O VAL A 25 10.226 1.626 -5.066 1.00 0.00 O ATOM 205 CB VAL A 25 10.227 -0.731 -7.876 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.354 -2.246 -8.047 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.831 -0.249 -8.276 1.00 0.00 C ATOM 0 H VAL A 25 8.747 -0.814 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 25 11.617 -0.541 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 25 10.948 -0.258 -8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.109 -2.518 -9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.376 -2.553 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.667 -2.748 -7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.617 -0.562 -9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.090 -0.680 -7.602 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.790 0.838 -8.213 1.00 0.00 H new ATOM 208 N ALA A 26 10.418 1.939 -7.297 1.00 0.00 N ATOM 209 CA ALA A 26 10.262 3.382 -7.220 1.00 0.00 C ATOM 210 C ALA A 26 10.805 4.018 -8.501 1.00 0.00 C ATOM 211 O ALA A 26 11.915 3.706 -8.930 1.00 0.00 O ATOM 212 CB ALA A 26 10.963 3.905 -5.965 1.00 0.00 C ATOM 0 H ALA A 26 10.550 1.574 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 26 9.209 3.651 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.846 4.987 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.520 3.444 -5.082 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.023 3.657 -6.010 1.00 0.00 H new ATOM 213 N ASN A 27 10.000 4.900 -9.074 1.00 0.00 N ATOM 214 CA ASN A 27 10.385 5.583 -10.296 1.00 0.00 C ATOM 215 C ASN A 27 11.142 6.866 -9.941 1.00 0.00 C ATOM 216 O ASN A 27 12.351 6.835 -9.713 1.00 0.00 O ATOM 217 CB ASN A 27 9.158 5.972 -11.122 1.00 0.00 C ATOM 218 CG ASN A 27 8.030 6.480 -10.223 1.00 0.00 C ATOM 219 OD1 ASN A 27 8.164 6.584 -9.014 1.00 0.00 O ATOM 220 ND2 ASN A 27 6.913 6.787 -10.876 1.00 0.00 N ATOM 0 H ASN A 27 9.081 5.157 -8.714 1.00 0.00 H new ATOM 0 HA ASN A 27 11.010 4.905 -10.878 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.430 6.744 -11.842 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.812 5.111 -11.694 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.102 7.133 -10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.868 6.677 -11.889 1.00 0.00 H new ATOM 221 N ARG A 28 10.400 7.962 -9.907 1.00 0.00 N ATOM 222 CA ARG A 28 10.984 9.252 -9.584 1.00 0.00 C ATOM 223 C ARG A 28 10.298 9.854 -8.356 1.00 0.00 C ATOM 224 O ARG A 28 10.956 10.437 -7.495 1.00 0.00 O ATOM 225 CB ARG A 28 10.858 10.224 -10.758 1.00 0.00 C ATOM 226 CG ARG A 28 9.680 9.845 -11.659 1.00 0.00 C ATOM 227 CD ARG A 28 9.378 10.958 -12.664 1.00 0.00 C ATOM 228 NE ARG A 28 9.422 10.421 -14.043 1.00 0.00 N ATOM 229 CZ ARG A 28 8.952 11.070 -15.116 1.00 0.00 C ATOM 0 H ARG A 28 9.398 7.983 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 28 12.041 9.092 -9.372 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.722 11.238 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.781 10.220 -11.339 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.907 8.921 -12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.798 9.652 -11.048 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.395 11.385 -12.462 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.104 11.764 -12.555 1.00 0.00 H new ATOM 0 HE ARG A 28 9.836 9.500 -14.185 1.00 0.00 H new ATOM 230 N GLN A 29 8.983 9.692 -8.313 1.00 0.00 N ATOM 231 CA GLN A 29 8.200 10.212 -7.205 1.00 0.00 C ATOM 232 C GLN A 29 7.099 9.221 -6.823 1.00 0.00 C ATOM 233 O GLN A 29 6.084 9.609 -6.246 1.00 0.00 O ATOM 234 CB GLN A 29 7.612 11.582 -7.546 1.00 0.00 C ATOM 235 CG GLN A 29 7.613 11.820 -9.058 1.00 0.00 C ATOM 236 CD GLN A 29 6.769 10.767 -9.778 1.00 0.00 C ATOM 237 OE1 GLN A 29 6.684 9.618 -9.376 1.00 0.00 O ATOM 238 NE2 GLN A 29 6.151 11.222 -10.865 1.00 0.00 N ATOM 0 H GLN A 29 8.440 9.208 -9.028 1.00 0.00 H new ATOM 0 HA GLN A 29 8.859 10.340 -6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.593 11.649 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.190 12.363 -7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.222 12.814 -9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.636 11.791 -9.434 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.265 12.196 -11.146 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.564 10.597 -11.417 1.00 0.00 H new ATOM 239 N PHE A 30 7.338 7.962 -7.158 1.00 0.00 N ATOM 240 CA PHE A 30 6.378 6.913 -6.857 1.00 0.00 C ATOM 241 C PHE A 30 7.088 5.588 -6.568 1.00 0.00 C ATOM 242 O PHE A 30 8.220 5.380 -6.999 1.00 0.00 O ATOM 243 CB PHE A 30 5.495 6.745 -8.095 1.00 0.00 C ATOM 244 CG PHE A 30 4.077 6.260 -7.786 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.869 4.973 -7.396 1.00 0.00 C ATOM 246 CD2 PHE A 30 3.025 7.113 -7.902 1.00 0.00 C ATOM 247 CE1 PHE A 30 2.554 4.522 -7.110 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.710 6.662 -7.616 1.00 0.00 C ATOM 249 CZ PHE A 30 1.502 5.376 -7.225 1.00 0.00 C ATOM 0 H PHE A 30 8.182 7.644 -7.635 1.00 0.00 H new ATOM 0 HA PHE A 30 5.796 7.183 -5.976 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.436 7.699 -8.619 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.970 6.037 -8.774 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.704 4.295 -7.304 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.190 8.134 -8.212 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.389 3.500 -6.801 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.874 7.340 -7.709 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.502 5.033 -7.006 1.00 0.00 H new ATOM 250 N VAL A 31 6.391 4.727 -5.841 1.00 0.00 N ATOM 251 CA VAL A 31 6.939 3.428 -5.489 1.00 0.00 C ATOM 252 C VAL A 31 5.808 2.400 -5.431 1.00 0.00 C ATOM 253 O VAL A 31 4.758 2.660 -4.846 1.00 0.00 O ATOM 254 CB VAL A 31 7.724 3.529 -4.180 1.00 0.00 C ATOM 255 CG1 VAL A 31 8.241 4.952 -3.959 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.875 3.062 -2.995 1.00 0.00 C ATOM 0 H VAL A 31 5.451 4.904 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 31 7.644 3.092 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 31 8.587 2.868 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.795 4.996 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.898 5.233 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.399 5.642 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.456 3.144 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.984 3.685 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.579 2.024 -3.146 1.00 0.00 H new ATOM 257 N VAL A 32 6.060 1.254 -6.047 1.00 0.00 N ATOM 258 CA VAL A 32 5.076 0.186 -6.071 1.00 0.00 C ATOM 259 C VAL A 32 5.670 -1.065 -5.422 1.00 0.00 C ATOM 260 O VAL A 32 6.732 -1.535 -5.830 1.00 0.00 O ATOM 261 CB VAL A 32 4.600 -0.054 -7.506 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.763 1.124 -8.010 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.783 -0.323 -8.438 1.00 0.00 C ATOM 0 H VAL A 32 6.931 1.042 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 32 4.196 0.465 -5.492 1.00 0.00 H new ATOM 0 HB VAL A 32 3.966 -0.940 -7.505 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.437 0.928 -9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.891 1.251 -7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.364 2.033 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.417 -0.490 -9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.454 0.536 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.322 -1.207 -8.096 1.00 0.00 H new ATOM 264 N TYR A 33 4.960 -1.570 -4.425 1.00 0.00 N ATOM 265 CA TYR A 33 5.405 -2.757 -3.714 1.00 0.00 C ATOM 266 C TYR A 33 4.752 -4.016 -4.291 1.00 0.00 C ATOM 267 O TYR A 33 3.528 -4.123 -4.327 1.00 0.00 O ATOM 268 CB TYR A 33 4.949 -2.578 -2.266 1.00 0.00 C ATOM 269 CG TYR A 33 5.903 -1.739 -1.413 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.480 -0.600 -1.940 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.186 -2.120 -0.117 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.377 0.189 -1.137 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.084 -1.330 0.686 1.00 0.00 C ATOM 274 CZ TYR A 33 7.635 -0.214 0.135 1.00 0.00 C ATOM 0 H TYR A 33 4.079 -1.179 -4.092 1.00 0.00 H new ATOM 0 HA TYR A 33 6.485 -2.874 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.965 -2.109 -2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.836 -3.560 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.258 -0.302 -2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.734 -3.010 0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.835 1.082 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.315 -1.617 1.701 1.00 0.00 H new ATOM 275 N THR A 34 5.599 -4.938 -4.725 1.00 0.00 N ATOM 276 CA THR A 34 5.120 -6.185 -5.296 1.00 0.00 C ATOM 277 C THR A 34 5.990 -7.354 -4.830 1.00 0.00 C ATOM 278 O THR A 34 7.154 -7.167 -4.481 1.00 0.00 O ATOM 279 CB THR A 34 5.083 -6.024 -6.817 1.00 0.00 C ATOM 280 OG1 THR A 34 6.455 -5.918 -7.188 1.00 0.00 O ATOM 281 CG2 THR A 34 4.476 -4.688 -7.250 1.00 0.00 C ATOM 0 H THR A 34 6.614 -4.846 -4.693 1.00 0.00 H new ATOM 0 HA THR A 34 4.111 -6.415 -4.954 1.00 0.00 H new ATOM 0 HB THR A 34 4.510 -6.842 -7.255 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.531 -5.929 -8.165 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.474 -4.625 -8.338 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.453 -4.616 -6.880 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.068 -3.870 -6.841 1.00 0.00 H new ATOM 282 N CYS A 35 5.389 -8.535 -4.838 1.00 0.00 N ATOM 283 CA CYS A 35 6.095 -9.735 -4.420 1.00 0.00 C ATOM 284 C CYS A 35 6.200 -10.674 -5.623 1.00 0.00 C ATOM 285 O CYS A 35 7.244 -11.285 -5.848 1.00 0.00 O ATOM 286 CB CYS A 35 5.409 -10.408 -3.228 1.00 0.00 C ATOM 287 SG CYS A 35 6.566 -11.567 -2.413 1.00 0.00 S ATOM 0 H CYS A 35 4.423 -8.687 -5.127 1.00 0.00 H new ATOM 0 HA CYS A 35 7.096 -9.471 -4.078 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.076 -9.653 -2.516 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.521 -10.944 -3.564 1.00 0.00 H new ATOM 0 HG CYS A 35 5.975 -12.131 -1.402 1.00 0.00 H new ATOM 338 N HIS A 42 -4.085 -13.238 -7.844 1.00 0.00 N ATOM 339 CA HIS A 42 -4.585 -11.927 -8.224 1.00 0.00 C ATOM 340 C HIS A 42 -3.482 -10.884 -8.036 1.00 0.00 C ATOM 341 O HIS A 42 -2.393 -11.204 -7.561 1.00 0.00 O ATOM 342 CB HIS A 42 -5.860 -11.587 -7.450 1.00 0.00 C ATOM 343 CG HIS A 42 -5.719 -11.704 -5.950 1.00 0.00 C ATOM 344 ND1 HIS A 42 -5.723 -10.604 -5.110 1.00 0.00 N ATOM 345 CD2 HIS A 42 -5.570 -12.798 -5.151 1.00 0.00 C ATOM 346 CE1 HIS A 42 -5.581 -11.030 -3.864 1.00 0.00 C ATOM 347 NE2 HIS A 42 -5.486 -12.390 -3.891 1.00 0.00 N ATOM 0 HA HIS A 42 -4.859 -11.930 -9.279 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.163 -10.570 -7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -6.661 -12.248 -7.782 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.527 -13.824 -5.487 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.546 -10.409 -2.981 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -5.370 -12.994 -3.077 1.00 0.00 H new ATOM 348 N PHE A 43 -3.802 -9.656 -8.417 1.00 0.00 N ATOM 349 CA PHE A 43 -2.852 -8.564 -8.297 1.00 0.00 C ATOM 350 C PHE A 43 -3.315 -7.547 -7.251 1.00 0.00 C ATOM 351 O PHE A 43 -3.944 -6.546 -7.588 1.00 0.00 O ATOM 352 CB PHE A 43 -2.784 -7.877 -9.663 1.00 0.00 C ATOM 353 CG PHE A 43 -4.109 -7.885 -10.429 1.00 0.00 C ATOM 354 CD1 PHE A 43 -4.423 -8.936 -11.232 1.00 0.00 C ATOM 355 CD2 PHE A 43 -4.972 -6.840 -10.308 1.00 0.00 C ATOM 356 CE1 PHE A 43 -5.652 -8.944 -11.944 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.201 -6.848 -11.019 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.514 -7.900 -11.822 1.00 0.00 C ATOM 0 H PHE A 43 -4.706 -9.393 -8.809 1.00 0.00 H new ATOM 0 HA PHE A 43 -1.881 -8.949 -7.986 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.463 -6.845 -9.524 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.023 -8.369 -10.268 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.738 -9.765 -11.329 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.722 -6.004 -9.671 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.901 -9.779 -12.582 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.887 -6.019 -10.922 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.448 -7.906 -12.363 1.00 0.00 H new ATOM 359 N ARG A 44 -2.985 -7.840 -6.002 1.00 0.00 N ATOM 360 CA ARG A 44 -3.359 -6.965 -4.904 1.00 0.00 C ATOM 361 C ARG A 44 -3.317 -5.502 -5.353 1.00 0.00 C ATOM 362 O ARG A 44 -2.298 -5.033 -5.856 1.00 0.00 O ATOM 363 CB ARG A 44 -2.422 -7.150 -3.708 1.00 0.00 C ATOM 364 CG ARG A 44 -2.933 -8.252 -2.778 1.00 0.00 C ATOM 365 CD ARG A 44 -1.781 -9.129 -2.283 1.00 0.00 C ATOM 366 NE ARG A 44 -1.887 -10.483 -2.869 1.00 0.00 N ATOM 367 CZ ARG A 44 -1.390 -11.590 -2.300 1.00 0.00 C ATOM 0 H ARG A 44 -2.463 -8.671 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.373 -7.228 -4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.422 -7.401 -4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.340 -6.213 -3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.447 -7.805 -1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.663 -8.867 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.827 -8.679 -2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.803 -9.192 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.369 -10.580 -3.763 1.00 0.00 H new ATOM 368 N LEU A 45 -4.437 -4.824 -5.155 1.00 0.00 N ATOM 369 CA LEU A 45 -4.542 -3.425 -5.534 1.00 0.00 C ATOM 370 C LEU A 45 -4.935 -2.598 -4.308 1.00 0.00 C ATOM 371 O LEU A 45 -6.119 -2.388 -4.050 1.00 0.00 O ATOM 372 CB LEU A 45 -5.497 -3.261 -6.718 1.00 0.00 C ATOM 373 CG LEU A 45 -4.929 -3.622 -8.092 1.00 0.00 C ATOM 374 CD1 LEU A 45 -5.766 -3.001 -9.212 1.00 0.00 C ATOM 375 CD2 LEU A 45 -3.453 -3.229 -8.196 1.00 0.00 C ATOM 0 H LEU A 45 -5.280 -5.217 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.578 -3.050 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.377 -3.878 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.834 -2.225 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.984 -4.704 -8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.341 -3.273 -10.178 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.789 -3.371 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.765 -1.916 -9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.074 -3.497 -9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.351 -2.154 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.881 -3.756 -7.432 1.00 0.00 H new ATOM 376 N GLY A 46 -3.919 -2.150 -3.586 1.00 0.00 N ATOM 377 CA GLY A 46 -4.143 -1.351 -2.393 1.00 0.00 C ATOM 378 C GLY A 46 -3.715 0.102 -2.619 1.00 0.00 C ATOM 379 O GLY A 46 -3.080 0.416 -3.623 1.00 0.00 O ATOM 0 H GLY A 46 -2.938 -2.325 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.198 -1.385 -2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.584 -1.773 -1.558 1.00 0.00 H new ATOM 380 N ILE A 47 -4.081 0.947 -1.666 1.00 0.00 N ATOM 381 CA ILE A 47 -3.744 2.358 -1.749 1.00 0.00 C ATOM 382 C ILE A 47 -2.872 2.739 -0.550 1.00 0.00 C ATOM 383 O ILE A 47 -3.295 2.608 0.597 1.00 0.00 O ATOM 384 CB ILE A 47 -5.010 3.205 -1.882 1.00 0.00 C ATOM 385 CG1 ILE A 47 -5.476 3.270 -3.338 1.00 0.00 C ATOM 386 CG2 ILE A 47 -4.804 4.599 -1.284 1.00 0.00 C ATOM 387 CD1 ILE A 47 -5.914 1.891 -3.835 1.00 0.00 C ATOM 0 H ILE A 47 -4.607 0.682 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.160 2.558 -2.647 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.804 2.724 -1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.304 3.973 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.669 3.647 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.720 5.180 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.554 4.508 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.991 5.103 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.241 1.965 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.076 1.197 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.738 1.527 -3.220 1.00 0.00 H new ATOM 388 N SER A 48 -1.670 3.205 -0.858 1.00 0.00 N ATOM 389 CA SER A 48 -0.735 3.607 0.179 1.00 0.00 C ATOM 390 C SER A 48 -0.320 5.065 -0.027 1.00 0.00 C ATOM 391 O SER A 48 0.076 5.451 -1.125 1.00 0.00 O ATOM 392 CB SER A 48 0.498 2.700 0.191 1.00 0.00 C ATOM 393 OG SER A 48 0.158 1.341 0.451 1.00 0.00 O ATOM 0 H SER A 48 -1.322 3.313 -1.811 1.00 0.00 H new ATOM 0 HA SER A 48 -1.232 3.511 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.008 2.769 -0.770 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.198 3.050 0.949 1.00 0.00 H new ATOM 0 HG SER A 48 0.971 0.794 0.449 1.00 0.00 H new ATOM 394 N VAL A 49 -0.424 5.833 1.047 1.00 0.00 N ATOM 395 CA VAL A 49 -0.064 7.240 0.998 1.00 0.00 C ATOM 396 C VAL A 49 0.836 7.574 2.190 1.00 0.00 C ATOM 397 O VAL A 49 0.828 6.866 3.196 1.00 0.00 O ATOM 398 CB VAL A 49 -1.327 8.102 0.943 1.00 0.00 C ATOM 399 CG1 VAL A 49 -0.979 9.591 1.012 1.00 0.00 C ATOM 400 CG2 VAL A 49 -2.149 7.790 -0.310 1.00 0.00 C ATOM 0 H VAL A 49 -0.752 5.508 1.956 1.00 0.00 H new ATOM 0 HA VAL A 49 0.502 7.458 0.092 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.936 7.859 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.895 10.181 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.455 9.799 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.340 9.855 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.041 8.416 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.550 7.991 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.442 6.740 -0.301 1.00 0.00 H new ATOM 401 N SER A 50 1.589 8.653 2.037 1.00 0.00 N ATOM 402 CA SER A 50 2.493 9.090 3.089 1.00 0.00 C ATOM 403 C SER A 50 1.807 10.138 3.967 1.00 0.00 C ATOM 404 O SER A 50 0.772 10.688 3.590 1.00 0.00 O ATOM 405 CB SER A 50 3.788 9.654 2.503 1.00 0.00 C ATOM 406 OG SER A 50 4.607 10.258 3.500 1.00 0.00 O ATOM 0 H SER A 50 1.592 9.238 1.201 1.00 0.00 H new ATOM 0 HA SER A 50 2.749 8.225 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.343 8.854 2.014 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.548 10.390 1.736 1.00 0.00 H new ATOM 0 HG SER A 50 5.244 10.869 3.074 1.00 0.00 H new ATOM 407 N LYS A 51 2.409 10.383 5.120 1.00 0.00 N ATOM 408 CA LYS A 51 1.869 11.356 6.055 1.00 0.00 C ATOM 409 C LYS A 51 2.653 12.665 5.933 1.00 0.00 C ATOM 410 O LYS A 51 2.385 13.623 6.656 1.00 0.00 O ATOM 411 CB LYS A 51 1.847 10.782 7.473 1.00 0.00 C ATOM 412 CG LYS A 51 0.617 9.900 7.689 1.00 0.00 C ATOM 413 CD LYS A 51 0.737 9.098 8.987 1.00 0.00 C ATOM 414 CE LYS A 51 -0.608 8.481 9.377 1.00 0.00 C ATOM 415 NZ LYS A 51 -0.621 8.133 10.816 1.00 0.00 N ATOM 0 H LYS A 51 3.266 9.925 5.429 1.00 0.00 H new ATOM 0 HA LYS A 51 0.831 11.582 5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.752 10.199 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.847 11.596 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.278 10.521 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.501 9.219 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.481 8.310 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.089 9.747 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.413 9.182 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.792 7.588 8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.541 7.716 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.135 7.447 11.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.467 8.992 11.382 1.00 0.00 H new ATOM 416 N LYS A 52 3.606 12.662 5.013 1.00 0.00 N ATOM 417 CA LYS A 52 4.430 13.837 4.786 1.00 0.00 C ATOM 418 C LYS A 52 4.025 14.493 3.465 1.00 0.00 C ATOM 419 O LYS A 52 4.381 15.640 3.202 1.00 0.00 O ATOM 420 CB LYS A 52 5.914 13.473 4.862 1.00 0.00 C ATOM 421 CG LYS A 52 6.532 13.961 6.174 1.00 0.00 C ATOM 422 CD LYS A 52 7.555 12.955 6.705 1.00 0.00 C ATOM 423 CE LYS A 52 8.780 13.670 7.279 1.00 0.00 C ATOM 424 NZ LYS A 52 8.530 14.085 8.678 1.00 0.00 N ATOM 0 H LYS A 52 3.826 11.865 4.416 1.00 0.00 H new ATOM 0 HA LYS A 52 4.265 14.575 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.032 12.392 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.444 13.916 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.013 14.926 6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.748 14.113 6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.096 12.337 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.863 12.286 5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.646 13.009 7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.017 14.543 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.371 14.569 9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.716 14.732 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.326 13.246 9.258 1.00 0.00 H new ATOM 425 N LEU A 53 3.285 13.736 2.669 1.00 0.00 N ATOM 426 CA LEU A 53 2.827 14.229 1.381 1.00 0.00 C ATOM 427 C LEU A 53 2.404 15.693 1.521 1.00 0.00 C ATOM 428 O LEU A 53 3.125 16.594 1.095 1.00 0.00 O ATOM 429 CB LEU A 53 1.729 13.323 0.820 1.00 0.00 C ATOM 430 CG LEU A 53 1.925 12.844 -0.621 1.00 0.00 C ATOM 431 CD1 LEU A 53 1.980 11.316 -0.687 1.00 0.00 C ATOM 432 CD2 LEU A 53 0.848 13.421 -1.542 1.00 0.00 C ATOM 0 H LEU A 53 2.991 12.785 2.891 1.00 0.00 H new ATOM 0 HA LEU A 53 3.637 14.199 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.643 12.448 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.780 13.856 0.879 1.00 0.00 H new ATOM 0 HG LEU A 53 2.885 13.216 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.120 11.001 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.812 10.955 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.047 10.901 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.010 13.065 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.135 13.100 -1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.900 14.510 -1.526 1.00 0.00 H new ATOM 433 N GLY A 54 1.237 15.884 2.119 1.00 0.00 N ATOM 434 CA GLY A 54 0.711 17.223 2.321 1.00 0.00 C ATOM 435 C GLY A 54 -0.725 17.174 2.849 1.00 0.00 C ATOM 436 O GLY A 54 -0.956 16.785 3.993 1.00 0.00 O ATOM 0 H GLY A 54 0.641 15.134 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.343 17.763 3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.738 17.774 1.381 1.00 0.00 H new ATOM 437 N ASN A 55 -1.651 17.572 1.990 1.00 0.00 N ATOM 438 CA ASN A 55 -3.058 17.579 2.355 1.00 0.00 C ATOM 439 C ASN A 55 -3.746 16.361 1.735 1.00 0.00 C ATOM 440 O ASN A 55 -3.105 15.559 1.058 1.00 0.00 O ATOM 441 CB ASN A 55 -3.757 18.835 1.833 1.00 0.00 C ATOM 442 CG ASN A 55 -2.745 19.825 1.254 1.00 0.00 C ATOM 443 OD1 ASN A 55 -1.644 19.990 1.754 1.00 0.00 O ATOM 444 ND2 ASN A 55 -3.177 20.474 0.176 1.00 0.00 N ATOM 0 H ASN A 55 -1.455 17.892 1.042 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.125 17.557 3.443 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.482 18.560 1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.313 19.309 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.575 21.157 -0.283 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.110 20.288 -0.191 1.00 0.00 H new ATOM 445 N ALA A 56 -5.044 16.263 1.987 1.00 0.00 N ATOM 446 CA ALA A 56 -5.827 15.158 1.461 1.00 0.00 C ATOM 447 C ALA A 56 -6.023 15.348 -0.044 1.00 0.00 C ATOM 448 O ALA A 56 -6.259 14.383 -0.770 1.00 0.00 O ATOM 449 CB ALA A 56 -7.155 15.069 2.215 1.00 0.00 C ATOM 0 H ALA A 56 -5.572 16.931 2.548 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.304 14.213 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.743 14.240 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.961 14.904 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.709 15.999 2.088 1.00 0.00 H new ATOM 450 N VAL A 57 -5.917 16.598 -0.469 1.00 0.00 N ATOM 451 CA VAL A 57 -6.080 16.926 -1.875 1.00 0.00 C ATOM 452 C VAL A 57 -4.938 16.299 -2.677 1.00 0.00 C ATOM 453 O VAL A 57 -5.063 16.089 -3.882 1.00 0.00 O ATOM 454 CB VAL A 57 -6.170 18.443 -2.051 1.00 0.00 C ATOM 455 CG1 VAL A 57 -4.777 19.078 -2.062 1.00 0.00 C ATOM 456 CG2 VAL A 57 -6.947 18.804 -3.319 1.00 0.00 C ATOM 0 H VAL A 57 -5.720 17.396 0.135 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.012 16.511 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.716 18.847 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.870 20.157 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.273 18.865 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.195 18.665 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.996 19.888 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.442 18.381 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.957 18.400 -3.254 1.00 0.00 H new ATOM 457 N LEU A 58 -3.850 16.015 -1.974 1.00 0.00 N ATOM 458 CA LEU A 58 -2.687 15.415 -2.606 1.00 0.00 C ATOM 459 C LEU A 58 -2.872 13.898 -2.668 1.00 0.00 C ATOM 460 O LEU A 58 -2.520 13.267 -3.663 1.00 0.00 O ATOM 461 CB LEU A 58 -1.406 15.850 -1.891 1.00 0.00 C ATOM 462 CG LEU A 58 -1.238 17.355 -1.671 1.00 0.00 C ATOM 463 CD1 LEU A 58 0.032 17.654 -0.872 1.00 0.00 C ATOM 464 CD2 LEU A 58 -1.270 18.110 -3.001 1.00 0.00 C ATOM 0 H LEU A 58 -3.750 16.189 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.587 15.766 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.369 15.355 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.553 15.489 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.081 17.710 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.127 18.730 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.025 17.163 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.900 17.282 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.149 19.177 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.460 17.758 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.225 17.934 -3.497 1.00 0.00 H new ATOM 465 N ARG A 59 -3.425 13.357 -1.593 1.00 0.00 N ATOM 466 CA ARG A 59 -3.661 11.925 -1.513 1.00 0.00 C ATOM 467 C ARG A 59 -4.863 11.536 -2.377 1.00 0.00 C ATOM 468 O ARG A 59 -5.129 10.353 -2.581 1.00 0.00 O ATOM 469 CB ARG A 59 -3.918 11.489 -0.070 1.00 0.00 C ATOM 470 CG ARG A 59 -5.392 11.662 0.302 1.00 0.00 C ATOM 471 CD ARG A 59 -6.108 10.311 0.350 1.00 0.00 C ATOM 472 NE ARG A 59 -7.077 10.291 1.468 1.00 0.00 N ATOM 473 CZ ARG A 59 -7.830 9.231 1.791 1.00 0.00 C ATOM 0 H ARG A 59 -3.717 13.884 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.767 11.421 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.628 10.446 0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.297 12.076 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.471 12.154 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.880 12.311 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.624 10.130 -0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.381 9.509 0.474 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.178 11.137 2.028 1.00 0.00 H new ATOM 474 N ASN A 60 -5.556 12.555 -2.864 1.00 0.00 N ATOM 475 CA ASN A 60 -6.722 12.335 -3.701 1.00 0.00 C ATOM 476 C ASN A 60 -6.298 12.335 -5.171 1.00 0.00 C ATOM 477 O ASN A 60 -6.767 11.514 -5.956 1.00 0.00 O ATOM 478 CB ASN A 60 -7.756 13.446 -3.508 1.00 0.00 C ATOM 479 CG ASN A 60 -9.035 12.900 -2.868 1.00 0.00 C ATOM 480 OD1 ASN A 60 -9.563 11.871 -3.255 1.00 0.00 O ATOM 481 ND2 ASN A 60 -9.501 13.645 -1.870 1.00 0.00 N ATOM 0 H ASN A 60 -5.332 13.535 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.163 11.379 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.337 14.232 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.992 13.899 -4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.350 13.366 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.010 14.496 -1.596 1.00 0.00 H new ATOM 482 N LYS A 61 -5.413 13.265 -5.498 1.00 0.00 N ATOM 483 CA LYS A 61 -4.918 13.383 -6.859 1.00 0.00 C ATOM 484 C LYS A 61 -3.978 12.214 -7.158 1.00 0.00 C ATOM 485 O LYS A 61 -3.909 11.742 -8.292 1.00 0.00 O ATOM 486 CB LYS A 61 -4.282 14.756 -7.081 1.00 0.00 C ATOM 487 CG LYS A 61 -4.687 15.334 -8.439 1.00 0.00 C ATOM 488 CD LYS A 61 -4.948 16.838 -8.338 1.00 0.00 C ATOM 489 CE LYS A 61 -3.898 17.631 -9.119 1.00 0.00 C ATOM 490 NZ LYS A 61 -4.452 18.931 -9.560 1.00 0.00 N ATOM 0 H LYS A 61 -5.026 13.944 -4.843 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.741 13.321 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.589 15.436 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.197 14.671 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.899 15.146 -9.168 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.583 14.829 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.942 17.065 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.935 17.143 -7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.020 17.796 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.570 17.056 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.726 19.456 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.276 18.767 -10.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.743 19.484 -8.729 1.00 0.00 H new ATOM 491 N ILE A 62 -3.276 11.779 -6.121 1.00 0.00 N ATOM 492 CA ILE A 62 -2.342 10.675 -6.259 1.00 0.00 C ATOM 493 C ILE A 62 -3.123 9.365 -6.380 1.00 0.00 C ATOM 494 O ILE A 62 -2.775 8.503 -7.186 1.00 0.00 O ATOM 495 CB ILE A 62 -1.329 10.683 -5.112 1.00 0.00 C ATOM 496 CG1 ILE A 62 0.013 11.256 -5.569 1.00 0.00 C ATOM 497 CG2 ILE A 62 -1.179 9.287 -4.503 1.00 0.00 C ATOM 498 CD1 ILE A 62 0.592 12.204 -4.517 1.00 0.00 C ATOM 0 H ILE A 62 -3.336 12.172 -5.182 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.756 10.784 -7.172 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.708 11.338 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.715 10.443 -5.756 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.117 11.788 -6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.453 9.321 -3.690 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.142 8.953 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.835 8.591 -5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.546 12.597 -4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.101 13.029 -4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.744 11.662 -3.583 1.00 0.00 H new ATOM 499 N LYS A 63 -4.166 9.257 -5.569 1.00 0.00 N ATOM 500 CA LYS A 63 -4.999 8.066 -5.576 1.00 0.00 C ATOM 501 C LYS A 63 -6.040 8.184 -6.690 1.00 0.00 C ATOM 502 O LYS A 63 -6.653 7.191 -7.079 1.00 0.00 O ATOM 503 CB LYS A 63 -5.604 7.829 -4.191 1.00 0.00 C ATOM 504 CG LYS A 63 -6.869 8.668 -3.994 1.00 0.00 C ATOM 505 CD LYS A 63 -8.126 7.829 -4.235 1.00 0.00 C ATOM 506 CE LYS A 63 -9.340 8.723 -4.493 1.00 0.00 C ATOM 507 NZ LYS A 63 -10.326 8.588 -3.398 1.00 0.00 N ATOM 0 H LYS A 63 -4.453 9.974 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.399 7.182 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.842 6.772 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.873 8.081 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.887 9.074 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.857 9.517 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.969 7.168 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.315 7.194 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.022 9.762 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.803 8.453 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.144 9.202 -3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.642 7.599 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.886 8.868 -2.498 1.00 0.00 H new ATOM 508 N ARG A 64 -6.207 9.406 -7.174 1.00 0.00 N ATOM 509 CA ARG A 64 -7.163 9.667 -8.236 1.00 0.00 C ATOM 510 C ARG A 64 -6.693 9.026 -9.543 1.00 0.00 C ATOM 511 O ARG A 64 -7.463 8.344 -10.217 1.00 0.00 O ATOM 512 CB ARG A 64 -7.350 11.170 -8.452 1.00 0.00 C ATOM 513 CG ARG A 64 -7.813 11.465 -9.880 1.00 0.00 C ATOM 514 CD ARG A 64 -8.716 12.699 -9.920 1.00 0.00 C ATOM 515 NE ARG A 64 -9.009 13.067 -11.324 1.00 0.00 N ATOM 516 CZ ARG A 64 -9.951 13.948 -11.689 1.00 0.00 C ATOM 0 H ARG A 64 -5.696 10.227 -6.850 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.117 9.233 -7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.082 11.555 -7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.412 11.689 -8.256 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.946 11.623 -10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.350 10.604 -10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.645 12.497 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.231 13.532 -9.411 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.460 12.622 -12.059 1.00 0.00 H new ATOM 517 N ALA A 65 -5.429 9.268 -9.862 1.00 0.00 N ATOM 518 CA ALA A 65 -4.847 8.722 -11.077 1.00 0.00 C ATOM 519 C ALA A 65 -4.469 7.257 -10.842 1.00 0.00 C ATOM 520 O ALA A 65 -4.126 6.543 -11.783 1.00 0.00 O ATOM 521 CB ALA A 65 -3.647 9.573 -11.494 1.00 0.00 C ATOM 0 H ALA A 65 -4.793 9.834 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.567 8.750 -11.895 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.210 9.164 -12.405 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.973 10.597 -11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.902 9.565 -10.699 1.00 0.00 H new ATOM 522 N ILE A 66 -4.546 6.854 -9.583 1.00 0.00 N ATOM 523 CA ILE A 66 -4.217 5.488 -9.214 1.00 0.00 C ATOM 524 C ILE A 66 -5.493 4.645 -9.204 1.00 0.00 C ATOM 525 O ILE A 66 -5.442 3.431 -9.395 1.00 0.00 O ATOM 526 CB ILE A 66 -3.451 5.460 -7.889 1.00 0.00 C ATOM 527 CG1 ILE A 66 -1.963 5.189 -8.122 1.00 0.00 C ATOM 528 CG2 ILE A 66 -4.071 4.455 -6.918 1.00 0.00 C ATOM 529 CD1 ILE A 66 -1.253 6.440 -8.645 1.00 0.00 C ATOM 0 H ILE A 66 -4.831 7.449 -8.805 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.548 5.045 -9.952 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.531 6.444 -7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.498 4.865 -7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.846 4.374 -8.837 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.507 4.455 -5.985 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.105 4.734 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.043 3.458 -7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.197 6.220 -8.802 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.704 6.747 -9.589 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.352 7.245 -7.917 1.00 0.00 H new ATOM 530 N ARG A 67 -6.610 5.322 -8.979 1.00 0.00 N ATOM 531 CA ARG A 67 -7.897 4.650 -8.941 1.00 0.00 C ATOM 532 C ARG A 67 -8.479 4.539 -10.351 1.00 0.00 C ATOM 533 O ARG A 67 -9.473 3.847 -10.564 1.00 0.00 O ATOM 534 CB ARG A 67 -8.885 5.404 -8.048 1.00 0.00 C ATOM 535 CG ARG A 67 -9.551 6.551 -8.811 1.00 0.00 C ATOM 536 CD ARG A 67 -10.948 6.153 -9.291 1.00 0.00 C ATOM 537 NE ARG A 67 -11.825 7.343 -9.336 1.00 0.00 N ATOM 538 CZ ARG A 67 -12.516 7.809 -8.286 1.00 0.00 C ATOM 0 H ARG A 67 -6.650 6.329 -8.821 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.739 3.653 -8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.647 4.716 -7.681 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.364 5.798 -7.175 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.620 7.428 -8.168 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.935 6.830 -9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.886 5.699 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.372 5.404 -8.622 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.909 7.841 -10.222 1.00 0.00 H new ATOM 539 N GLU A 68 -7.834 5.231 -11.280 1.00 0.00 N ATOM 540 CA GLU A 68 -8.275 5.217 -12.664 1.00 0.00 C ATOM 541 C GLU A 68 -7.287 4.431 -13.528 1.00 0.00 C ATOM 542 O GLU A 68 -7.564 4.148 -14.693 1.00 0.00 O ATOM 543 CB GLU A 68 -8.457 6.641 -13.195 1.00 0.00 C ATOM 544 CG GLU A 68 -7.113 7.254 -13.592 1.00 0.00 C ATOM 545 CD GLU A 68 -7.269 8.734 -13.946 1.00 0.00 C ATOM 546 OE1 GLU A 68 -7.651 9.498 -13.034 1.00 0.00 O ATOM 547 OE2 GLU A 68 -7.003 9.067 -15.121 1.00 0.00 O ATOM 0 H GLU A 68 -7.010 5.805 -11.101 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.244 4.720 -12.712 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.124 6.629 -14.057 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.932 7.259 -12.433 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.403 7.145 -12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.700 6.714 -14.444 1.00 0.00 H new ATOM 548 N ASN A 69 -6.154 4.101 -12.925 1.00 0.00 N ATOM 549 CA ASN A 69 -5.123 3.355 -13.625 1.00 0.00 C ATOM 550 C ASN A 69 -5.365 1.856 -13.431 1.00 0.00 C ATOM 551 O ASN A 69 -5.134 1.064 -14.344 1.00 0.00 O ATOM 552 CB ASN A 69 -3.734 3.685 -13.074 1.00 0.00 C ATOM 553 CG ASN A 69 -2.817 4.210 -14.180 1.00 0.00 C ATOM 554 OD1 ASN A 69 -1.757 3.671 -14.452 1.00 0.00 O ATOM 555 ND2 ASN A 69 -3.282 5.290 -14.800 1.00 0.00 N ATOM 0 H ASN A 69 -5.928 4.337 -11.959 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.166 3.627 -14.680 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.820 4.430 -12.283 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.295 2.794 -12.625 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.743 5.717 -15.553 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.178 5.691 -14.523 1.00 0.00 H new ATOM 556 N PHE A 70 -5.827 1.513 -12.238 1.00 0.00 N ATOM 557 CA PHE A 70 -6.102 0.124 -11.914 1.00 0.00 C ATOM 558 C PHE A 70 -7.271 -0.411 -12.743 1.00 0.00 C ATOM 559 O PHE A 70 -7.188 -1.502 -13.307 1.00 0.00 O ATOM 560 CB PHE A 70 -6.482 0.077 -10.432 1.00 0.00 C ATOM 561 CG PHE A 70 -5.293 0.224 -9.480 1.00 0.00 C ATOM 562 CD1 PHE A 70 -4.116 -0.394 -9.762 1.00 0.00 C ATOM 563 CD2 PHE A 70 -5.414 0.975 -8.353 1.00 0.00 C ATOM 564 CE1 PHE A 70 -3.012 -0.258 -8.879 1.00 0.00 C ATOM 565 CE2 PHE A 70 -4.310 1.112 -7.469 1.00 0.00 C ATOM 566 CZ PHE A 70 -3.133 0.493 -7.751 1.00 0.00 C ATOM 0 H PHE A 70 -6.018 2.173 -11.484 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.227 -0.488 -12.130 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.200 0.871 -10.226 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.985 -0.868 -10.226 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.020 -0.989 -10.658 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.349 1.467 -8.130 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.077 -0.750 -9.103 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.406 1.708 -6.573 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.294 0.597 -7.079 1.00 0.00 H new ATOM 567 N LYS A 71 -8.333 0.380 -12.793 1.00 0.00 N ATOM 568 CA LYS A 71 -9.516 -0.002 -13.544 1.00 0.00 C ATOM 569 C LYS A 71 -9.155 -0.126 -15.025 1.00 0.00 C ATOM 570 O LYS A 71 -9.428 -1.149 -15.652 1.00 0.00 O ATOM 571 CB LYS A 71 -10.663 0.974 -13.270 1.00 0.00 C ATOM 572 CG LYS A 71 -11.881 0.242 -12.704 1.00 0.00 C ATOM 573 CD LYS A 71 -11.986 0.439 -11.190 1.00 0.00 C ATOM 574 CE LYS A 71 -13.448 0.499 -10.746 1.00 0.00 C ATOM 575 NZ LYS A 71 -13.912 1.903 -10.679 1.00 0.00 N ATOM 0 H LYS A 71 -8.398 1.284 -12.325 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.875 -0.979 -13.220 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.334 1.739 -12.566 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.938 1.486 -14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.787 0.610 -13.186 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.809 -0.822 -12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.480 -0.379 -10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.477 1.359 -10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.069 -0.063 -11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.557 0.027 -9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.907 1.926 -10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.330 2.429 -9.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.826 2.342 -11.618 1.00 0.00 H new ATOM 576 N VAL A 72 -8.548 0.932 -15.545 1.00 0.00 N ATOM 577 CA VAL A 72 -8.147 0.954 -16.941 1.00 0.00 C ATOM 578 C VAL A 72 -7.159 -0.184 -17.202 1.00 0.00 C ATOM 579 O VAL A 72 -7.351 -0.980 -18.121 1.00 0.00 O ATOM 580 CB VAL A 72 -7.583 2.329 -17.302 1.00 0.00 C ATOM 581 CG1 VAL A 72 -6.193 2.529 -16.694 1.00 0.00 C ATOM 582 CG2 VAL A 72 -7.553 2.529 -18.819 1.00 0.00 C ATOM 0 H VAL A 72 -8.325 1.780 -15.024 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.009 0.791 -17.588 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.245 3.084 -16.878 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.815 3.515 -16.966 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.256 2.452 -15.609 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.516 1.764 -17.074 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.148 3.515 -19.048 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.925 1.763 -19.275 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.565 2.452 -19.216 1.00 0.00 H new ATOM 583 N HIS A 73 -6.123 -0.227 -16.378 1.00 0.00 N ATOM 584 CA HIS A 73 -5.104 -1.255 -16.508 1.00 0.00 C ATOM 585 C HIS A 73 -5.555 -2.520 -15.774 1.00 0.00 C ATOM 586 O HIS A 73 -4.742 -3.395 -15.482 1.00 0.00 O ATOM 587 CB HIS A 73 -3.747 -0.739 -16.022 1.00 0.00 C ATOM 588 CG HIS A 73 -3.244 0.469 -16.775 1.00 0.00 C ATOM 589 ND1 HIS A 73 -3.308 1.797 -16.473 1.00 0.00 N flip ATOM 590 CD2 HIS A 73 -2.589 0.375 -17.990 1.00 0.00 C flip ATOM 591 CE1 HIS A 73 -2.722 2.478 -17.449 1.00 0.00 C flip ATOM 592 NE2 HIS A 73 -2.276 1.598 -18.391 1.00 0.00 N flip ATOM 0 H HIS A 73 -5.967 0.434 -15.617 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.974 -1.513 -17.559 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.823 -0.489 -14.964 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.013 -1.540 -16.109 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.734 2.199 -15.638 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -2.370 -0.540 -18.521 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.616 3.552 -17.491 1.00 0.00 H new ATOM 593 N LYS A 74 -6.850 -2.576 -15.498 1.00 0.00 N ATOM 594 CA LYS A 74 -7.419 -3.719 -14.805 1.00 0.00 C ATOM 595 C LYS A 74 -7.180 -4.983 -15.634 1.00 0.00 C ATOM 596 O LYS A 74 -6.747 -6.005 -15.104 1.00 0.00 O ATOM 597 CB LYS A 74 -8.891 -3.468 -14.475 1.00 0.00 C ATOM 598 CG LYS A 74 -9.476 -4.625 -13.665 1.00 0.00 C ATOM 599 CD LYS A 74 -11.006 -4.562 -13.645 1.00 0.00 C ATOM 600 CE LYS A 74 -11.608 -5.577 -14.617 1.00 0.00 C ATOM 601 NZ LYS A 74 -12.763 -6.266 -13.998 1.00 0.00 N ATOM 0 H LYS A 74 -7.521 -1.848 -15.742 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.924 -3.868 -13.846 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.988 -2.540 -13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.458 -3.342 -15.397 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.153 -5.574 -14.094 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.094 -4.590 -12.645 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.369 -4.760 -12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.336 -3.558 -13.911 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.925 -5.072 -15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.852 -6.308 -14.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.160 -6.952 -14.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.451 -6.764 -13.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.491 -5.567 -13.747 1.00 0.00 H new ATOM 602 N SER A 75 -7.476 -4.872 -16.921 1.00 0.00 N ATOM 603 CA SER A 75 -7.299 -5.993 -17.829 1.00 0.00 C ATOM 604 C SER A 75 -5.844 -6.065 -18.295 1.00 0.00 C ATOM 605 O SER A 75 -5.438 -7.041 -18.924 1.00 0.00 O ATOM 606 CB SER A 75 -8.238 -5.880 -19.031 1.00 0.00 C ATOM 607 OG SER A 75 -9.578 -6.233 -18.698 1.00 0.00 O ATOM 0 H SER A 75 -7.837 -4.023 -17.356 1.00 0.00 H new ATOM 0 HA SER A 75 -7.547 -6.910 -17.294 1.00 0.00 H new ATOM 0 HB2 SER A 75 -8.216 -4.859 -19.413 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.881 -6.528 -19.832 1.00 0.00 H new ATOM 0 HG SER A 75 -10.146 -6.146 -19.492 1.00 0.00 H new ATOM 608 N HIS A 76 -5.099 -5.019 -17.969 1.00 0.00 N ATOM 609 CA HIS A 76 -3.698 -4.951 -18.347 1.00 0.00 C ATOM 610 C HIS A 76 -2.837 -5.556 -17.236 1.00 0.00 C ATOM 611 O HIS A 76 -1.742 -6.052 -17.495 1.00 0.00 O ATOM 612 CB HIS A 76 -3.298 -3.516 -18.693 1.00 0.00 C ATOM 613 CG HIS A 76 -4.280 -2.802 -19.591 1.00 0.00 C ATOM 614 ND1 HIS A 76 -5.632 -2.650 -19.491 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -3.898 -2.148 -20.749 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -6.052 -1.940 -20.529 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -4.979 -1.628 -21.311 1.00 0.00 N flip ATOM 0 H HIS A 76 -5.440 -4.212 -17.447 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.532 -5.540 -19.249 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.188 -2.948 -17.769 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.322 -3.529 -19.178 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.890 -2.074 -21.130 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -7.076 -1.655 -20.723 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.004 -1.089 -22.177 1.00 0.00 H new ATOM 618 N ILE A 77 -3.364 -5.495 -16.022 1.00 0.00 N ATOM 619 CA ILE A 77 -2.658 -6.030 -14.872 1.00 0.00 C ATOM 620 C ILE A 77 -2.906 -7.538 -14.782 1.00 0.00 C ATOM 621 O ILE A 77 -3.989 -8.013 -15.120 1.00 0.00 O ATOM 622 CB ILE A 77 -3.045 -5.268 -13.603 1.00 0.00 C ATOM 623 CG1 ILE A 77 -2.093 -4.095 -13.355 1.00 0.00 C ATOM 624 CG2 ILE A 77 -3.122 -6.208 -12.399 1.00 0.00 C ATOM 625 CD1 ILE A 77 -2.177 -3.072 -14.488 1.00 0.00 C ATOM 0 H ILE A 77 -4.273 -5.083 -15.810 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.583 -5.889 -14.986 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.041 -4.849 -13.748 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.340 -3.615 -12.408 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.071 -4.464 -13.268 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.399 -5.640 -11.511 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.871 -6.978 -12.586 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.151 -6.677 -12.241 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.491 -2.249 -14.287 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.906 -3.549 -15.430 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.195 -2.687 -14.556 1.00 0.00 H new ATOM 626 N LEU A 78 -1.884 -8.246 -14.326 1.00 0.00 N ATOM 627 CA LEU A 78 -1.977 -9.690 -14.189 1.00 0.00 C ATOM 628 C LEU A 78 -1.737 -10.075 -12.728 1.00 0.00 C ATOM 629 O LEU A 78 -1.074 -9.347 -11.990 1.00 0.00 O ATOM 630 CB LEU A 78 -1.031 -10.384 -15.171 1.00 0.00 C ATOM 631 CG LEU A 78 0.180 -9.566 -15.627 1.00 0.00 C ATOM 632 CD1 LEU A 78 -0.258 -8.354 -16.452 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.052 -9.166 -14.436 1.00 0.00 C ATOM 0 H LEU A 78 -0.988 -7.847 -14.047 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.978 -10.034 -14.450 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.671 -11.303 -14.710 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.603 -10.673 -16.053 1.00 0.00 H new ATOM 0 HG LEU A 78 0.792 -10.193 -16.276 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.621 -7.789 -16.764 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.804 -8.692 -17.333 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.903 -7.716 -15.848 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.905 -8.586 -14.788 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.466 -8.564 -13.742 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.408 -10.062 -13.928 1.00 0.00 H new ATOM 634 N ALA A 79 -2.290 -11.219 -12.353 1.00 0.00 N ATOM 635 CA ALA A 79 -2.143 -11.711 -10.992 1.00 0.00 C ATOM 636 C ALA A 79 -0.722 -11.428 -10.502 1.00 0.00 C ATOM 637 O ALA A 79 0.250 -11.809 -11.153 1.00 0.00 O ATOM 638 CB ALA A 79 -2.491 -13.200 -10.947 1.00 0.00 C ATOM 0 H ALA A 79 -2.840 -11.820 -12.967 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.831 -11.196 -10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.381 -13.569 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.520 -13.343 -11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.820 -13.751 -11.606 1.00 0.00 H new ATOM 639 N LYS A 80 -0.646 -10.763 -9.359 1.00 0.00 N ATOM 640 CA LYS A 80 0.641 -10.425 -8.774 1.00 0.00 C ATOM 641 C LYS A 80 0.450 -9.314 -7.740 1.00 0.00 C ATOM 642 O LYS A 80 0.149 -8.175 -8.096 1.00 0.00 O ATOM 643 CB LYS A 80 1.653 -10.080 -9.868 1.00 0.00 C ATOM 644 CG LYS A 80 2.577 -11.266 -10.154 1.00 0.00 C ATOM 645 CD LYS A 80 2.864 -11.389 -11.652 1.00 0.00 C ATOM 646 CE LYS A 80 3.068 -12.852 -12.052 1.00 0.00 C ATOM 647 NZ LYS A 80 1.798 -13.440 -12.531 1.00 0.00 N ATOM 0 H LYS A 80 -1.454 -10.449 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 80 1.057 -11.283 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.126 -9.797 -10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.246 -9.218 -9.561 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.513 -11.142 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.117 -12.185 -9.791 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.037 -10.965 -12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.753 -10.812 -11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.824 -12.919 -12.834 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.440 -13.420 -11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.865 -14.478 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.018 -13.130 -11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.616 -13.126 -13.506 1.00 0.00 H new ATOM 648 N ASP A 81 0.634 -9.682 -6.482 1.00 0.00 N ATOM 649 CA ASP A 81 0.486 -8.731 -5.394 1.00 0.00 C ATOM 650 C ASP A 81 1.214 -7.434 -5.754 1.00 0.00 C ATOM 651 O ASP A 81 2.406 -7.451 -6.056 1.00 0.00 O ATOM 652 CB ASP A 81 1.098 -9.273 -4.099 1.00 0.00 C ATOM 653 CG ASP A 81 2.329 -10.161 -4.289 1.00 0.00 C ATOM 654 OD1 ASP A 81 3.194 -9.765 -5.100 1.00 0.00 O ATOM 655 OD2 ASP A 81 2.377 -11.215 -3.620 1.00 0.00 O ATOM 0 H ASP A 81 0.885 -10.627 -6.191 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.579 -8.555 -5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.371 -8.431 -3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.337 -9.842 -3.565 1.00 0.00 H new ATOM 656 N ILE A 82 0.466 -6.342 -5.708 1.00 0.00 N ATOM 657 CA ILE A 82 1.026 -5.039 -6.026 1.00 0.00 C ATOM 658 C ILE A 82 0.437 -3.991 -5.079 1.00 0.00 C ATOM 659 O ILE A 82 -0.619 -4.207 -4.488 1.00 0.00 O ATOM 660 CB ILE A 82 0.820 -4.713 -7.506 1.00 0.00 C ATOM 661 CG1 ILE A 82 0.810 -3.201 -7.740 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.447 -5.384 -8.044 1.00 0.00 C ATOM 663 CD1 ILE A 82 -0.482 -2.573 -7.214 1.00 0.00 C ATOM 0 H ILE A 82 -0.522 -6.332 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 82 2.105 -5.041 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 82 1.663 -5.119 -8.065 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.668 -2.747 -7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.912 -2.994 -8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.570 -5.136 -9.098 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.361 -6.465 -7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.312 -5.029 -7.484 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.463 -1.498 -7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.336 -3.012 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.569 -2.761 -6.144 1.00 0.00 H new ATOM 664 N ILE A 83 1.147 -2.878 -4.964 1.00 0.00 N ATOM 665 CA ILE A 83 0.708 -1.796 -4.098 1.00 0.00 C ATOM 666 C ILE A 83 1.341 -0.484 -4.568 1.00 0.00 C ATOM 667 O ILE A 83 2.559 -0.326 -4.517 1.00 0.00 O ATOM 668 CB ILE A 83 1.000 -2.130 -2.634 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.231 -3.377 -2.192 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.712 -0.929 -1.730 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.327 -3.573 -0.678 1.00 0.00 C ATOM 0 H ILE A 83 2.023 -2.702 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.373 -1.670 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 83 2.062 -2.357 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.815 -3.286 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.630 -4.254 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.928 -1.193 -0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.340 -0.090 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.337 -0.648 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.228 -4.466 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.372 -3.688 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.095 -2.705 -0.171 1.00 0.00 H new ATOM 672 N VAL A 84 0.483 0.421 -5.015 1.00 0.00 N ATOM 673 CA VAL A 84 0.943 1.714 -5.493 1.00 0.00 C ATOM 674 C VAL A 84 0.967 2.705 -4.328 1.00 0.00 C ATOM 675 O VAL A 84 -0.078 3.049 -3.779 1.00 0.00 O ATOM 676 CB VAL A 84 0.069 2.183 -6.658 1.00 0.00 C ATOM 677 CG1 VAL A 84 -0.065 1.087 -7.718 1.00 0.00 C ATOM 678 CG2 VAL A 84 -1.305 2.638 -6.163 1.00 0.00 C ATOM 0 H VAL A 84 -0.527 0.285 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 84 1.960 1.639 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 84 0.559 3.039 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.691 1.446 -8.535 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.922 0.830 -8.103 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.522 0.203 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.907 2.966 -7.011 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.805 1.808 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.184 3.464 -5.462 1.00 0.00 H new ATOM 679 N ILE A 85 2.172 3.137 -3.984 1.00 0.00 N ATOM 680 CA ILE A 85 2.346 4.082 -2.895 1.00 0.00 C ATOM 681 C ILE A 85 2.885 5.402 -3.450 1.00 0.00 C ATOM 682 O ILE A 85 3.692 5.405 -4.378 1.00 0.00 O ATOM 683 CB ILE A 85 3.219 3.475 -1.794 1.00 0.00 C ATOM 684 CG1 ILE A 85 3.039 1.958 -1.725 1.00 0.00 C ATOM 685 CG2 ILE A 85 2.948 4.147 -0.446 1.00 0.00 C ATOM 686 CD1 ILE A 85 4.316 1.233 -2.158 1.00 0.00 C ATOM 0 H ILE A 85 3.037 2.849 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 85 1.387 4.302 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 85 4.263 3.664 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.778 1.665 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.211 1.657 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.581 3.697 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.169 5.212 -0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.901 4.011 -0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.160 0.156 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.561 1.509 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.137 1.517 -1.500 1.00 0.00 H new ATOM 687 N ALA A 86 2.417 6.491 -2.858 1.00 0.00 N ATOM 688 CA ALA A 86 2.841 7.814 -3.282 1.00 0.00 C ATOM 689 C ALA A 86 4.001 8.280 -2.399 1.00 0.00 C ATOM 690 O ALA A 86 3.851 8.401 -1.185 1.00 0.00 O ATOM 691 CB ALA A 86 1.650 8.772 -3.235 1.00 0.00 C ATOM 0 H ALA A 86 1.748 6.484 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 86 3.199 7.791 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.969 9.765 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.866 8.411 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.265 8.824 -2.217 1.00 0.00 H new ATOM 692 N ARG A 87 5.131 8.530 -3.044 1.00 0.00 N ATOM 693 CA ARG A 87 6.315 8.981 -2.332 1.00 0.00 C ATOM 694 C ARG A 87 5.986 10.203 -1.473 1.00 0.00 C ATOM 695 O ARG A 87 4.816 10.529 -1.275 1.00 0.00 O ATOM 696 CB ARG A 87 7.440 9.338 -3.306 1.00 0.00 C ATOM 697 CG ARG A 87 8.664 8.448 -3.080 1.00 0.00 C ATOM 698 CD ARG A 87 9.524 8.980 -1.933 1.00 0.00 C ATOM 699 NE ARG A 87 10.787 8.212 -1.848 1.00 0.00 N ATOM 700 CZ ARG A 87 11.881 8.634 -1.201 1.00 0.00 C ATOM 0 H ARG A 87 5.252 8.429 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 87 6.649 8.164 -1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.088 9.225 -4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.718 10.384 -3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.342 7.431 -2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.258 8.401 -3.993 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.741 10.036 -2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.978 8.903 -0.993 1.00 0.00 H new ATOM 0 HE ARG A 87 10.826 7.304 -2.311 1.00 0.00 H new ATOM 701 N GLN A 88 7.037 10.846 -0.988 1.00 0.00 N ATOM 702 CA GLN A 88 6.873 12.025 -0.155 1.00 0.00 C ATOM 703 C GLN A 88 6.727 13.274 -1.026 1.00 0.00 C ATOM 704 O GLN A 88 5.726 13.984 -0.937 1.00 0.00 O ATOM 705 CB GLN A 88 8.041 12.173 0.823 1.00 0.00 C ATOM 706 CG GLN A 88 7.572 11.993 2.268 1.00 0.00 C ATOM 707 CD GLN A 88 8.613 12.530 3.252 1.00 0.00 C ATOM 708 OE1 GLN A 88 8.634 13.856 3.350 1.00 0.00 O flip ATOM 709 NE2 GLN A 88 9.349 11.788 3.882 1.00 0.00 N flip ATOM 0 H GLN A 88 8.005 10.573 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 88 5.963 11.906 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 88 8.809 11.435 0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 88 8.497 13.156 0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.625 12.513 2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.390 10.937 2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.281 10.778 3.760 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.032 12.178 4.531 1.00 0.00 H new ATOM 710 N PRO A 89 7.766 13.511 -1.871 1.00 0.00 N ATOM 711 CA PRO A 89 7.763 14.662 -2.758 1.00 0.00 C ATOM 712 C PRO A 89 6.810 14.444 -3.936 1.00 0.00 C ATOM 713 O PRO A 89 6.778 15.245 -4.869 1.00 0.00 O ATOM 714 CB PRO A 89 9.211 14.831 -3.189 1.00 0.00 C ATOM 715 CG PRO A 89 9.889 13.501 -2.902 1.00 0.00 C ATOM 716 CD PRO A 89 8.968 12.692 -2.004 1.00 0.00 C ATOM 0 HA PRO A 89 7.398 15.567 -2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.277 15.082 -4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.690 15.641 -2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.085 12.964 -3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.852 13.660 -2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.739 11.721 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.427 12.502 -1.034 1.00 0.00 H new ATOM 717 N ALA A 90 6.059 13.356 -3.854 1.00 0.00 N ATOM 718 CA ALA A 90 5.108 13.023 -4.901 1.00 0.00 C ATOM 719 C ALA A 90 3.812 13.802 -4.673 1.00 0.00 C ATOM 720 O ALA A 90 2.817 13.572 -5.358 1.00 0.00 O ATOM 721 CB ALA A 90 4.882 11.510 -4.923 1.00 0.00 C ATOM 0 H ALA A 90 6.090 12.694 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 90 5.497 13.309 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.169 11.260 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.828 11.004 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.489 11.187 -3.959 1.00 0.00 H new ATOM 722 N LYS A 91 3.865 14.710 -3.709 1.00 0.00 N ATOM 723 CA LYS A 91 2.708 15.525 -3.383 1.00 0.00 C ATOM 724 C LYS A 91 2.646 16.720 -4.337 1.00 0.00 C ATOM 725 O LYS A 91 1.628 17.407 -4.412 1.00 0.00 O ATOM 726 CB LYS A 91 2.729 15.918 -1.905 1.00 0.00 C ATOM 727 CG LYS A 91 3.591 17.162 -1.680 1.00 0.00 C ATOM 728 CD LYS A 91 5.030 16.775 -1.330 1.00 0.00 C ATOM 729 CE LYS A 91 5.833 17.999 -0.887 1.00 0.00 C ATOM 730 NZ LYS A 91 6.347 17.811 0.489 1.00 0.00 N ATOM 0 H LYS A 91 4.692 14.899 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 91 1.789 14.956 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.712 16.109 -1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.116 15.091 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.585 17.780 -2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.166 17.763 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.027 16.030 -0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.508 16.316 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.664 18.164 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.204 18.888 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.890 18.651 0.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.549 17.676 1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.964 16.974 0.518 1.00 0.00 H new ATOM 731 N ASP A 92 3.748 16.932 -5.041 1.00 0.00 N ATOM 732 CA ASP A 92 3.832 18.032 -5.986 1.00 0.00 C ATOM 733 C ASP A 92 3.378 17.550 -7.366 1.00 0.00 C ATOM 734 O ASP A 92 3.261 18.344 -8.298 1.00 0.00 O ATOM 735 CB ASP A 92 5.269 18.541 -6.114 1.00 0.00 C ATOM 736 CG ASP A 92 6.285 17.497 -6.582 1.00 0.00 C ATOM 737 OD1 ASP A 92 5.876 16.623 -7.376 1.00 0.00 O ATOM 738 OD2 ASP A 92 7.448 17.597 -6.135 1.00 0.00 O ATOM 0 H ASP A 92 4.590 16.360 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 92 3.195 18.838 -5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.281 19.377 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.589 18.929 -5.147 1.00 0.00 H new ATOM 739 N MET A 93 3.133 16.251 -7.452 1.00 0.00 N ATOM 740 CA MET A 93 2.694 15.653 -8.702 1.00 0.00 C ATOM 741 C MET A 93 1.248 16.043 -9.018 1.00 0.00 C ATOM 742 O MET A 93 0.641 16.828 -8.292 1.00 0.00 O ATOM 743 CB MET A 93 2.802 14.130 -8.605 1.00 0.00 C ATOM 744 CG MET A 93 4.254 13.696 -8.396 1.00 0.00 C ATOM 745 SD MET A 93 4.368 11.915 -8.412 1.00 0.00 S ATOM 746 CE MET A 93 2.725 11.495 -7.851 1.00 0.00 C ATOM 0 H MET A 93 3.230 15.596 -6.677 1.00 0.00 H new ATOM 0 HA MET A 93 3.334 16.021 -9.504 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.189 13.770 -7.779 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.410 13.675 -9.515 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.884 14.116 -9.180 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.625 14.084 -7.447 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.705 10.453 -7.532 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.452 12.136 -7.013 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.015 11.639 -8.665 1.00 0.00 H new ATOM 747 N THR A 94 0.740 15.477 -10.102 1.00 0.00 N ATOM 748 CA THR A 94 -0.622 15.755 -10.523 1.00 0.00 C ATOM 749 C THR A 94 -1.175 14.589 -11.344 1.00 0.00 C ATOM 750 O THR A 94 -0.413 13.781 -11.874 1.00 0.00 O ATOM 751 CB THR A 94 -0.621 17.085 -11.280 1.00 0.00 C ATOM 752 OG1 THR A 94 0.492 16.980 -12.164 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.271 18.271 -10.379 1.00 0.00 C ATOM 0 H THR A 94 1.247 14.827 -10.702 1.00 0.00 H new ATOM 0 HA THR A 94 -1.289 15.853 -9.666 1.00 0.00 H new ATOM 0 HB THR A 94 -1.600 17.248 -11.730 1.00 0.00 H new ATOM 0 HG1 THR A 94 0.566 17.800 -12.695 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.284 19.190 -10.965 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.002 18.344 -9.573 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.723 18.125 -9.955 1.00 0.00 H new ATOM 754 N THR A 95 -2.497 14.538 -11.426 1.00 0.00 N ATOM 755 CA THR A 95 -3.161 13.484 -12.173 1.00 0.00 C ATOM 756 C THR A 95 -2.468 13.267 -13.520 1.00 0.00 C ATOM 757 O THR A 95 -2.584 12.199 -14.117 1.00 0.00 O ATOM 758 CB THR A 95 -4.639 13.858 -12.305 1.00 0.00 C ATOM 759 OG1 THR A 95 -5.223 13.396 -11.091 1.00 0.00 O ATOM 760 CG2 THR A 95 -5.352 13.051 -13.393 1.00 0.00 C ATOM 0 H THR A 95 -3.126 15.210 -10.987 1.00 0.00 H new ATOM 0 HA THR A 95 -3.097 12.529 -11.652 1.00 0.00 H new ATOM 0 HB THR A 95 -4.726 14.922 -12.526 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.182 13.599 -11.091 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.397 13.355 -13.445 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.872 13.234 -14.355 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.295 11.989 -13.155 1.00 0.00 H new ATOM 761 N LEU A 96 -1.760 14.299 -13.958 1.00 0.00 N ATOM 762 CA LEU A 96 -1.047 14.235 -15.222 1.00 0.00 C ATOM 763 C LEU A 96 0.228 13.410 -15.041 1.00 0.00 C ATOM 764 O LEU A 96 0.539 12.552 -15.867 1.00 0.00 O ATOM 765 CB LEU A 96 -0.797 15.642 -15.770 1.00 0.00 C ATOM 766 CG LEU A 96 -0.308 15.722 -17.216 1.00 0.00 C ATOM 767 CD1 LEU A 96 1.219 15.664 -17.282 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.960 14.637 -18.077 1.00 0.00 C ATOM 0 H LEU A 96 -1.665 15.184 -13.459 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.651 13.729 -15.975 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.723 16.212 -15.689 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.063 16.134 -15.132 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.612 16.685 -17.626 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.541 15.723 -18.322 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.639 16.501 -16.724 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.567 14.727 -16.847 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.595 14.717 -19.101 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.708 13.655 -17.677 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.042 14.766 -18.067 1.00 0.00 H new ATOM 769 N GLN A 97 0.933 13.697 -13.957 1.00 0.00 N ATOM 770 CA GLN A 97 2.167 12.992 -13.658 1.00 0.00 C ATOM 771 C GLN A 97 1.865 11.657 -12.975 1.00 0.00 C ATOM 772 O GLN A 97 2.467 10.637 -13.306 1.00 0.00 O ATOM 773 CB GLN A 97 3.094 13.852 -12.795 1.00 0.00 C ATOM 774 CG GLN A 97 3.052 15.316 -13.236 1.00 0.00 C ATOM 775 CD GLN A 97 4.132 16.133 -12.525 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.080 15.606 -11.967 1.00 0.00 O ATOM 777 NE2 GLN A 97 3.937 17.448 -12.576 1.00 0.00 N ATOM 0 H GLN A 97 0.673 14.409 -13.274 1.00 0.00 H new ATOM 0 HA GLN A 97 2.682 12.788 -14.597 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.798 13.775 -11.749 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.115 13.476 -12.866 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.194 15.379 -14.315 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.070 15.737 -13.019 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.122 17.824 -13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.603 18.080 -12.131 1.00 0.00 H new ATOM 778 N ILE A 98 0.932 11.707 -12.036 1.00 0.00 N ATOM 779 CA ILE A 98 0.543 10.514 -11.305 1.00 0.00 C ATOM 780 C ILE A 98 0.268 9.380 -12.296 1.00 0.00 C ATOM 781 O ILE A 98 0.583 8.223 -12.022 1.00 0.00 O ATOM 782 CB ILE A 98 -0.635 10.816 -10.375 1.00 0.00 C ATOM 783 CG1 ILE A 98 -0.268 11.903 -9.362 1.00 0.00 C ATOM 784 CG2 ILE A 98 -1.135 9.541 -9.693 1.00 0.00 C ATOM 785 CD1 ILE A 98 -1.469 12.804 -9.066 1.00 0.00 C ATOM 0 H ILE A 98 0.434 12.555 -11.765 1.00 0.00 H new ATOM 0 HA ILE A 98 1.355 10.183 -10.658 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.457 11.202 -10.978 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.081 11.441 -8.438 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.555 12.503 -9.750 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.972 9.783 -9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.461 8.827 -10.450 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.329 9.103 -9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.182 13.568 -8.343 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.801 13.283 -9.987 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.282 12.204 -8.656 1.00 0.00 H new ATOM 786 N GLN A 99 -0.316 9.753 -13.424 1.00 0.00 N ATOM 787 CA GLN A 99 -0.636 8.782 -14.458 1.00 0.00 C ATOM 788 C GLN A 99 0.633 8.358 -15.200 1.00 0.00 C ATOM 789 O GLN A 99 0.791 7.190 -15.548 1.00 0.00 O ATOM 790 CB GLN A 99 -1.680 9.338 -15.428 1.00 0.00 C ATOM 791 CG GLN A 99 -3.093 9.186 -14.861 1.00 0.00 C ATOM 792 CD GLN A 99 -4.145 9.341 -15.960 1.00 0.00 C ATOM 793 OE1 GLN A 99 -4.443 8.420 -16.704 1.00 0.00 O ATOM 794 NE2 GLN A 99 -4.689 10.553 -16.023 1.00 0.00 N ATOM 0 H GLN A 99 -0.576 10.714 -13.646 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.065 7.901 -13.981 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.475 10.390 -15.625 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.609 8.816 -16.382 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.196 8.209 -14.389 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.260 9.933 -14.085 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -4.394 11.279 -15.370 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.401 10.757 -16.724 1.00 0.00 H new ATOM 795 N ASN A 100 1.504 9.332 -15.420 1.00 0.00 N ATOM 796 CA ASN A 100 2.753 9.076 -16.115 1.00 0.00 C ATOM 797 C ASN A 100 3.721 8.360 -15.169 1.00 0.00 C ATOM 798 O ASN A 100 4.736 7.821 -15.605 1.00 0.00 O ATOM 799 CB ASN A 100 3.412 10.381 -16.566 1.00 0.00 C ATOM 800 CG ASN A 100 2.852 10.841 -17.914 1.00 0.00 C ATOM 801 OD1 ASN A 100 2.776 10.089 -18.872 1.00 0.00 O ATOM 802 ND2 ASN A 100 2.465 12.113 -17.933 1.00 0.00 N ATOM 0 H ASN A 100 1.369 10.300 -15.129 1.00 0.00 H new ATOM 0 HA ASN A 100 2.532 8.464 -16.989 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.246 11.154 -15.816 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.490 10.240 -16.645 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.076 12.515 -18.786 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.557 12.687 -17.095 1.00 0.00 H new ATOM 803 N SER A 101 3.370 8.380 -13.891 1.00 0.00 N ATOM 804 CA SER A 101 4.195 7.740 -12.880 1.00 0.00 C ATOM 805 C SER A 101 4.064 6.219 -12.984 1.00 0.00 C ATOM 806 O SER A 101 5.067 5.508 -13.015 1.00 0.00 O ATOM 807 CB SER A 101 3.809 8.212 -11.477 1.00 0.00 C ATOM 808 OG SER A 101 4.247 9.544 -11.222 1.00 0.00 O ATOM 0 H SER A 101 2.527 8.829 -13.533 1.00 0.00 H new ATOM 0 HA SER A 101 5.233 8.021 -13.056 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.726 8.158 -11.362 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.242 7.540 -10.736 1.00 0.00 H new ATOM 0 HG SER A 101 3.793 10.160 -11.833 1.00 0.00 H new ATOM 809 N LEU A 102 2.821 5.767 -13.034 1.00 0.00 N ATOM 810 CA LEU A 102 2.545 4.343 -13.134 1.00 0.00 C ATOM 811 C LEU A 102 3.117 3.809 -14.448 1.00 0.00 C ATOM 812 O LEU A 102 3.271 2.600 -14.617 1.00 0.00 O ATOM 813 CB LEU A 102 1.050 4.072 -12.957 1.00 0.00 C ATOM 814 CG LEU A 102 0.376 4.774 -11.777 1.00 0.00 C ATOM 815 CD1 LEU A 102 -0.654 5.796 -12.261 1.00 0.00 C ATOM 816 CD2 LEU A 102 -0.237 3.756 -10.813 1.00 0.00 C ATOM 0 H LEU A 102 1.992 6.361 -13.007 1.00 0.00 H new ATOM 0 HA LEU A 102 3.039 3.801 -12.327 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.537 4.368 -13.872 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.907 2.997 -12.845 1.00 0.00 H new ATOM 0 HG LEU A 102 1.139 5.323 -11.225 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.118 6.280 -11.402 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.160 6.547 -12.877 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.420 5.290 -12.849 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.710 4.280 -9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.983 3.161 -11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.545 3.101 -10.430 1.00 0.00 H new ATOM 817 N GLU A 103 3.416 4.735 -15.346 1.00 0.00 N ATOM 818 CA GLU A 103 3.967 4.373 -16.641 1.00 0.00 C ATOM 819 C GLU A 103 5.416 3.902 -16.488 1.00 0.00 C ATOM 820 O GLU A 103 6.046 3.496 -17.464 1.00 0.00 O ATOM 821 CB GLU A 103 3.871 5.540 -17.625 1.00 0.00 C ATOM 822 CG GLU A 103 2.764 5.300 -18.653 1.00 0.00 C ATOM 823 CD GLU A 103 3.146 5.879 -20.017 1.00 0.00 C ATOM 824 OE1 GLU A 103 3.973 5.234 -20.695 1.00 0.00 O ATOM 825 OE2 GLU A 103 2.602 6.955 -20.349 1.00 0.00 O ATOM 0 H GLU A 103 3.287 5.737 -15.203 1.00 0.00 H new ATOM 0 HA GLU A 103 3.378 3.550 -17.047 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.673 6.464 -17.081 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.825 5.669 -18.136 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.577 4.230 -18.748 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.837 5.757 -18.307 1.00 0.00 H new ATOM 826 N HIS A 104 5.900 3.974 -15.258 1.00 0.00 N ATOM 827 CA HIS A 104 7.263 3.562 -14.965 1.00 0.00 C ATOM 828 C HIS A 104 7.275 2.684 -13.712 1.00 0.00 C ATOM 829 O HIS A 104 7.409 1.465 -13.804 1.00 0.00 O ATOM 830 CB HIS A 104 8.186 4.776 -14.848 1.00 0.00 C ATOM 831 CG HIS A 104 9.557 4.455 -14.303 1.00 0.00 C ATOM 832 ND1 HIS A 104 9.954 3.547 -13.365 1.00 0.00 N flip ATOM 833 CD2 HIS A 104 10.703 5.106 -14.725 1.00 0.00 C flip ATOM 834 CE1 HIS A 104 11.270 3.638 -13.225 1.00 0.00 C flip ATOM 835 NE2 HIS A 104 11.737 4.604 -14.066 1.00 0.00 N flip ATOM 0 H HIS A 104 5.374 4.311 -14.452 1.00 0.00 H new ATOM 0 HA HIS A 104 7.651 2.964 -15.790 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.295 5.233 -15.832 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.714 5.517 -14.203 1.00 0.00 H new ATOM 0 HD2 HIS A 104 10.747 5.890 -15.466 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.873 3.044 -12.554 1.00 0.00 H new ATOM 0 HE2 HIS A 104 12.711 4.890 -14.170 1.00 0.00 H new ATOM 836 N VAL A 105 7.134 3.339 -12.569 1.00 0.00 N ATOM 837 CA VAL A 105 7.127 2.634 -11.298 1.00 0.00 C ATOM 838 C VAL A 105 6.314 1.346 -11.438 1.00 0.00 C ATOM 839 O VAL A 105 6.786 0.268 -11.079 1.00 0.00 O ATOM 840 CB VAL A 105 6.603 3.554 -10.192 1.00 0.00 C ATOM 841 CG1 VAL A 105 5.079 3.665 -10.247 1.00 0.00 C ATOM 842 CG2 VAL A 105 7.069 3.076 -8.816 1.00 0.00 C ATOM 0 H VAL A 105 7.024 4.350 -12.496 1.00 0.00 H new ATOM 0 HA VAL A 105 8.140 2.350 -11.014 1.00 0.00 H new ATOM 0 HB VAL A 105 7.017 4.548 -10.359 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.733 4.324 -9.451 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.779 4.073 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.637 2.677 -10.118 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.683 3.747 -8.048 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.698 2.067 -8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 105 8.158 3.073 -8.781 1.00 0.00 H new ATOM 843 N LEU A 106 5.107 1.500 -11.962 1.00 0.00 N ATOM 844 CA LEU A 106 4.224 0.363 -12.155 1.00 0.00 C ATOM 845 C LEU A 106 4.799 -0.545 -13.243 1.00 0.00 C ATOM 846 O LEU A 106 4.759 -1.768 -13.121 1.00 0.00 O ATOM 847 CB LEU A 106 2.796 0.834 -12.437 1.00 0.00 C ATOM 848 CG LEU A 106 2.095 0.174 -13.626 1.00 0.00 C ATOM 849 CD1 LEU A 106 1.811 -1.302 -13.345 1.00 0.00 C ATOM 850 CD2 LEU A 106 0.826 0.939 -14.009 1.00 0.00 C ATOM 0 H LEU A 106 4.720 2.396 -12.259 1.00 0.00 H new ATOM 0 HA LEU A 106 4.164 -0.231 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.195 0.661 -11.544 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.816 1.911 -12.604 1.00 0.00 H new ATOM 0 HG LEU A 106 2.767 0.215 -14.483 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.312 -1.747 -14.206 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.750 -1.824 -13.159 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.168 -1.388 -12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.347 0.449 -14.857 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.140 0.952 -13.162 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.086 1.962 -14.281 1.00 0.00 H new ATOM 851 N LYS A 107 5.319 0.089 -14.284 1.00 0.00 N ATOM 852 CA LYS A 107 5.901 -0.646 -15.393 1.00 0.00 C ATOM 853 C LYS A 107 7.035 -1.533 -14.874 1.00 0.00 C ATOM 854 O LYS A 107 7.409 -2.511 -15.519 1.00 0.00 O ATOM 855 CB LYS A 107 6.332 0.312 -16.505 1.00 0.00 C ATOM 856 CG LYS A 107 7.014 -0.443 -17.647 1.00 0.00 C ATOM 857 CD LYS A 107 8.536 -0.398 -17.502 1.00 0.00 C ATOM 858 CE LYS A 107 9.220 -1.101 -18.676 1.00 0.00 C ATOM 859 NZ LYS A 107 10.691 -0.987 -18.564 1.00 0.00 N ATOM 0 H LYS A 107 5.349 1.104 -14.382 1.00 0.00 H new ATOM 0 HA LYS A 107 5.159 -1.306 -15.842 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.462 0.847 -16.886 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.014 1.060 -16.101 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.676 -1.479 -17.655 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.723 -0.005 -18.602 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.869 0.638 -17.450 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.830 -0.875 -16.567 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.931 -2.152 -18.696 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.886 -0.661 -19.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.139 -1.470 -19.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.963 0.017 -18.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.007 -1.428 -17.677 1.00 0.00 H new ATOM 860 N ILE A 108 7.550 -1.159 -13.711 1.00 0.00 N ATOM 861 CA ILE A 108 8.633 -1.907 -13.098 1.00 0.00 C ATOM 862 C ILE A 108 8.048 -2.981 -12.177 1.00 0.00 C ATOM 863 O ILE A 108 8.566 -4.094 -12.108 1.00 0.00 O ATOM 864 CB ILE A 108 9.609 -0.961 -12.396 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.151 0.088 -13.369 1.00 0.00 C ATOM 866 CG2 ILE A 108 10.733 -1.741 -11.710 1.00 0.00 C ATOM 867 CD1 ILE A 108 11.519 0.603 -12.916 1.00 0.00 C ATOM 0 H ILE A 108 7.237 -0.348 -13.178 1.00 0.00 H new ATOM 0 HA ILE A 108 9.218 -2.423 -13.860 1.00 0.00 H new ATOM 0 HB ILE A 108 9.066 -0.427 -11.616 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.233 -0.344 -14.366 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.450 0.920 -13.439 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.412 -1.044 -11.219 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.307 -2.416 -10.968 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.281 -2.319 -12.454 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.881 1.347 -13.625 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.428 1.057 -11.929 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.224 -0.227 -12.870 1.00 0.00 H new ATOM 868 N ALA A 109 6.977 -2.607 -11.493 1.00 0.00 N ATOM 869 CA ALA A 109 6.316 -3.524 -10.579 1.00 0.00 C ATOM 870 C ALA A 109 6.234 -4.909 -11.223 1.00 0.00 C ATOM 871 O ALA A 109 6.316 -5.924 -10.535 1.00 0.00 O ATOM 872 CB ALA A 109 4.939 -2.970 -10.209 1.00 0.00 C ATOM 0 H ALA A 109 6.550 -1.682 -11.553 1.00 0.00 H new ATOM 0 HA ALA A 109 6.886 -3.624 -9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.443 -3.657 -9.524 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.055 -1.999 -9.728 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.337 -2.859 -11.111 1.00 0.00 H new ATOM 873 N LYS A 110 6.073 -4.905 -12.539 1.00 0.00 N ATOM 874 CA LYS A 110 5.978 -6.149 -13.285 1.00 0.00 C ATOM 875 C LYS A 110 4.516 -6.597 -13.339 1.00 0.00 C ATOM 876 O LYS A 110 4.228 -7.756 -13.634 1.00 0.00 O ATOM 877 CB LYS A 110 6.922 -7.200 -12.696 1.00 0.00 C ATOM 878 CG LYS A 110 7.261 -8.273 -13.731 1.00 0.00 C ATOM 879 CD LYS A 110 8.627 -8.008 -14.368 1.00 0.00 C ATOM 880 CE LYS A 110 8.954 -9.066 -15.424 1.00 0.00 C ATOM 881 NZ LYS A 110 9.118 -10.394 -14.791 1.00 0.00 N ATOM 0 H LYS A 110 6.006 -4.061 -13.107 1.00 0.00 H new ATOM 0 HA LYS A 110 6.304 -6.001 -14.314 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.838 -6.719 -12.352 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.458 -7.663 -11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 110 7.261 -9.254 -13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.493 -8.293 -14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.633 -7.019 -14.825 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.398 -8.008 -13.597 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.157 -9.106 -16.167 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.868 -8.792 -15.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.566 -11.047 -15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.717 -10.304 -13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.186 -10.765 -14.516 1.00 0.00 H new ATOM 882 N VAL A 111 3.630 -5.654 -13.048 1.00 0.00 N ATOM 883 CA VAL A 111 2.205 -5.937 -13.060 1.00 0.00 C ATOM 884 C VAL A 111 1.635 -5.607 -14.441 1.00 0.00 C ATOM 885 O VAL A 111 0.458 -5.273 -14.567 1.00 0.00 O ATOM 886 CB VAL A 111 1.512 -5.175 -11.929 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.089 -5.569 -10.568 1.00 0.00 C ATOM 888 CG2 VAL A 111 1.605 -3.664 -12.148 1.00 0.00 C ATOM 0 H VAL A 111 3.872 -4.694 -12.803 1.00 0.00 H new ATOM 0 HA VAL A 111 2.024 -6.997 -12.879 1.00 0.00 H new ATOM 0 HB VAL A 111 0.457 -5.450 -11.937 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.579 -5.013 -9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.946 -6.638 -10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.154 -5.338 -10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.104 -3.146 -11.330 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.653 -3.365 -12.180 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.124 -3.403 -13.091 1.00 0.00 H new ATOM 889 N PHE A 112 2.497 -5.713 -15.442 1.00 0.00 N ATOM 890 CA PHE A 112 2.094 -5.429 -16.809 1.00 0.00 C ATOM 891 C PHE A 112 2.591 -6.516 -17.763 1.00 0.00 C ATOM 892 O PHE A 112 3.790 -6.780 -17.838 1.00 0.00 O ATOM 893 CB PHE A 112 2.734 -4.095 -17.197 1.00 0.00 C ATOM 894 CG PHE A 112 1.781 -2.900 -17.118 1.00 0.00 C ATOM 895 CD1 PHE A 112 0.495 -3.028 -17.540 1.00 0.00 C ATOM 896 CD2 PHE A 112 2.220 -1.711 -16.625 1.00 0.00 C ATOM 897 CE1 PHE A 112 -0.390 -1.920 -17.467 1.00 0.00 C ATOM 898 CE2 PHE A 112 1.336 -0.603 -16.551 1.00 0.00 C ATOM 899 CZ PHE A 112 0.049 -0.730 -16.974 1.00 0.00 C ATOM 0 H PHE A 112 3.472 -5.991 -15.334 1.00 0.00 H new ATOM 0 HA PHE A 112 1.007 -5.393 -16.876 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.587 -3.910 -16.544 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.121 -4.171 -18.213 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.146 -3.973 -17.931 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.242 -1.610 -16.290 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.411 -2.022 -17.803 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.685 0.341 -16.159 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.624 0.113 -16.919 1.00 0.00 H new ATOM 900 N ASN A 113 1.644 -7.117 -18.469 1.00 0.00 N ATOM 901 CA ASN A 113 1.971 -8.171 -19.415 1.00 0.00 C ATOM 902 C ASN A 113 3.290 -7.831 -20.114 1.00 0.00 C ATOM 903 O ASN A 113 4.112 -8.712 -20.356 1.00 0.00 O ATOM 904 CB ASN A 113 0.888 -8.302 -20.488 1.00 0.00 C ATOM 905 CG ASN A 113 -0.506 -8.326 -19.860 1.00 0.00 C ATOM 906 OD1 ASN A 113 -0.961 -9.329 -19.334 1.00 0.00 O ATOM 907 ND2 ASN A 113 -1.158 -7.170 -19.943 1.00 0.00 N ATOM 0 H ASN A 113 0.651 -6.894 -18.405 1.00 0.00 H new ATOM 0 HA ASN A 113 2.048 -9.108 -18.864 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.961 -7.469 -21.187 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.048 -9.215 -21.062 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.097 -7.085 -19.553 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.719 -6.369 -20.397 1.00 0.00 H new