USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 567 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -7.64! (180deg=-7.86!) USER MOD Single : A 3 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.012) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= -0.162 (180deg=-0.921) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.181 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -3.03 K(o=-3,f=-3.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= -0.0333 (180deg=-0.349) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0276) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 80:sc= 0.807 USER MOD Single : A 29 ASN : amide:sc= -1.5! C(o=-1.5!,f=-4.4!) USER MOD Single : A 33 THR OG1 : rot -22:sc= 0.655 USER MOD Single : A 36 GLN : amide:sc= -4.61! C(o=-4.6!,f=-9!) USER MOD Single : A 42 SER OG : rot 66:sc= 1.17 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 10:sc= 0.0635! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.02) USER MOD Single : A 64 ASN : amide:sc= -0.085 K(o=-0.085,f=-2.3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.696! X(o=-0.7!,f=-0.39) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0484 K(o=-0.048,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.706 -10.276 -9.839 1.00 0.00 N ATOM 2 CA MET A 1 56.348 -9.854 -8.563 1.00 0.00 C ATOM 3 C MET A 1 55.743 -8.550 -8.077 1.00 0.00 C ATOM 4 O MET A 1 56.416 -7.553 -7.982 1.00 0.00 O ATOM 5 CB MET A 1 57.841 -9.652 -8.776 1.00 0.00 C ATOM 6 CG MET A 1 58.555 -11.004 -8.737 1.00 0.00 C ATOM 7 SD MET A 1 57.963 -12.037 -10.100 1.00 0.00 S ATOM 8 CE MET A 1 58.574 -13.615 -9.463 1.00 0.00 C ATOM 0 H1 MET A 1 56.068 -11.211 -10.117 1.00 0.00 H new ATOM 0 H2 MET A 1 54.676 -10.328 -9.708 1.00 0.00 H new ATOM 0 H3 MET A 1 55.926 -9.584 -10.584 1.00 0.00 H new ATOM 0 HA MET A 1 56.181 -10.633 -7.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 58.019 -9.164 -9.734 1.00 0.00 H new ATOM 0 HB3 MET A 1 58.243 -8.995 -8.004 1.00 0.00 H new ATOM 0 HG2 MET A 1 59.633 -10.861 -8.816 1.00 0.00 H new ATOM 0 HG3 MET A 1 58.368 -11.499 -7.784 1.00 0.00 H new ATOM 0 HE1 MET A 1 58.316 -14.413 -10.159 1.00 0.00 H new ATOM 0 HE2 MET A 1 59.657 -13.567 -9.351 1.00 0.00 H new ATOM 0 HE3 MET A 1 58.118 -13.817 -8.494 1.00 0.00 H new ATOM 18 N LEU A 2 54.491 -8.552 -7.720 1.00 0.00 N ATOM 19 CA LEU A 2 53.867 -7.303 -7.205 1.00 0.00 C ATOM 20 C LEU A 2 54.428 -6.991 -5.813 1.00 0.00 C ATOM 21 O LEU A 2 53.961 -6.097 -5.136 1.00 0.00 O ATOM 22 CB LEU A 2 52.354 -7.500 -7.105 1.00 0.00 C ATOM 23 CG LEU A 2 51.670 -6.139 -6.970 1.00 0.00 C ATOM 24 CD1 LEU A 2 51.384 -5.568 -8.361 1.00 0.00 C ATOM 25 CD2 LEU A 2 50.354 -6.304 -6.207 1.00 0.00 C ATOM 0 H LEU A 2 53.873 -9.363 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 2 54.087 -6.478 -7.882 1.00 0.00 H new ATOM 0 HB2 LEU A 2 51.985 -8.018 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 2 52.114 -8.126 -6.246 1.00 0.00 H new ATOM 0 HG LEU A 2 52.324 -5.457 -6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 2 50.896 -4.598 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 2 52.321 -5.450 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 2 50.731 -6.249 -8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 2 49.866 -5.334 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 2 49.701 -6.987 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 2 50.557 -6.709 -5.215 1.00 0.00 H new ATOM 37 N GLN A 3 55.420 -7.727 -5.378 1.00 0.00 N ATOM 38 CA GLN A 3 56.002 -7.483 -4.027 1.00 0.00 C ATOM 39 C GLN A 3 57.088 -8.528 -3.755 1.00 0.00 C ATOM 40 O GLN A 3 56.998 -9.300 -2.823 1.00 0.00 O ATOM 41 CB GLN A 3 54.896 -7.603 -2.975 1.00 0.00 C ATOM 42 CG GLN A 3 54.451 -9.063 -2.859 1.00 0.00 C ATOM 43 CD GLN A 3 52.970 -9.177 -3.229 1.00 0.00 C ATOM 44 OE1 GLN A 3 52.111 -8.755 -2.481 1.00 0.00 O ATOM 45 NE2 GLN A 3 52.635 -9.732 -4.361 1.00 0.00 N ATOM 0 H GLN A 3 55.851 -8.488 -5.903 1.00 0.00 H new ATOM 0 HA GLN A 3 56.438 -6.485 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 3 55.257 -7.245 -2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 3 54.049 -6.975 -3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 3 55.051 -9.690 -3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 3 54.612 -9.423 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 3 53.357 -10.086 -4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 3 51.651 -9.812 -4.618 1.00 0.00 H new ATOM 54 N LYS A 4 58.105 -8.573 -4.566 1.00 0.00 N ATOM 55 CA LYS A 4 59.178 -9.583 -4.354 1.00 0.00 C ATOM 56 C LYS A 4 60.331 -8.962 -3.568 1.00 0.00 C ATOM 57 O LYS A 4 60.700 -9.436 -2.511 1.00 0.00 O ATOM 58 CB LYS A 4 59.690 -10.069 -5.711 1.00 0.00 C ATOM 59 CG LYS A 4 60.157 -11.520 -5.589 1.00 0.00 C ATOM 60 CD LYS A 4 61.547 -11.556 -4.950 1.00 0.00 C ATOM 61 CE LYS A 4 61.415 -11.819 -3.448 1.00 0.00 C ATOM 62 NZ LYS A 4 61.461 -13.286 -3.192 1.00 0.00 N ATOM 0 H LYS A 4 58.241 -7.955 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 4 58.774 -10.424 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.901 -9.991 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 4 60.512 -9.438 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 4 59.452 -12.091 -4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 4 60.185 -11.988 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 4 62.152 -12.335 -5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 4 62.061 -10.610 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 4 62.220 -11.320 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 4 60.478 -11.404 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 61.371 -13.463 -2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 60.678 -13.751 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 62.366 -13.669 -3.532 1.00 0.00 H new ATOM 76 N LYS A 5 60.907 -7.907 -4.068 1.00 0.00 N ATOM 77 CA LYS A 5 62.030 -7.271 -3.347 1.00 0.00 C ATOM 78 C LYS A 5 61.476 -6.512 -2.139 1.00 0.00 C ATOM 79 O LYS A 5 62.204 -6.092 -1.261 1.00 0.00 O ATOM 80 CB LYS A 5 62.761 -6.331 -4.323 1.00 0.00 C ATOM 81 CG LYS A 5 62.476 -4.862 -4.000 1.00 0.00 C ATOM 82 CD LYS A 5 63.468 -3.974 -4.753 1.00 0.00 C ATOM 83 CE LYS A 5 64.855 -4.120 -4.126 1.00 0.00 C ATOM 84 NZ LYS A 5 65.868 -3.460 -4.997 1.00 0.00 N ATOM 0 H LYS A 5 60.645 -7.460 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 5 62.740 -8.013 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 5 63.834 -6.515 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 5 62.448 -6.548 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 5 61.455 -4.607 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 5 62.560 -4.691 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 5 63.501 -4.257 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 5 63.146 -2.934 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.866 -3.670 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 5 65.100 -5.175 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 66.811 -3.560 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 65.864 -3.908 -5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.637 -2.451 -5.094 1.00 0.00 H new ATOM 98 N ILE A 6 60.193 -6.316 -2.107 1.00 0.00 N ATOM 99 CA ILE A 6 59.576 -5.571 -0.983 1.00 0.00 C ATOM 100 C ILE A 6 59.039 -6.555 0.056 1.00 0.00 C ATOM 101 O ILE A 6 59.063 -6.288 1.239 1.00 0.00 O ATOM 102 CB ILE A 6 58.442 -4.720 -1.539 1.00 0.00 C ATOM 103 CG1 ILE A 6 58.946 -4.014 -2.807 1.00 0.00 C ATOM 104 CG2 ILE A 6 58.005 -3.690 -0.494 1.00 0.00 C ATOM 105 CD1 ILE A 6 59.769 -2.781 -2.428 1.00 0.00 C ATOM 0 H ILE A 6 59.539 -6.643 -2.818 1.00 0.00 H new ATOM 0 HA ILE A 6 60.316 -4.932 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 6 57.583 -5.346 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 6 59.554 -4.700 -3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 6 58.101 -3.720 -3.430 1.00 0.00 H new ATOM 0 HG21 ILE A 6 57.194 -3.084 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 6 57.662 -4.205 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 6 58.848 -3.046 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 6 60.122 -2.287 -3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 6 59.148 -2.091 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 6 60.624 -3.086 -1.824 1.00 0.00 H new ATOM 117 N GLU A 7 58.573 -7.699 -0.368 1.00 0.00 N ATOM 118 CA GLU A 7 58.062 -8.694 0.613 1.00 0.00 C ATOM 119 C GLU A 7 59.259 -9.355 1.288 1.00 0.00 C ATOM 120 O GLU A 7 59.160 -9.895 2.371 1.00 0.00 O ATOM 121 CB GLU A 7 57.219 -9.753 -0.106 1.00 0.00 C ATOM 122 CG GLU A 7 58.133 -10.695 -0.893 1.00 0.00 C ATOM 123 CD GLU A 7 58.477 -11.912 -0.031 1.00 0.00 C ATOM 124 OE1 GLU A 7 59.463 -11.849 0.684 1.00 0.00 O ATOM 125 OE2 GLU A 7 57.747 -12.888 -0.103 1.00 0.00 O ATOM 0 H GLU A 7 58.525 -7.985 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 7 57.435 -8.200 1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 7 56.635 -10.320 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 7 56.511 -9.271 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 7 57.640 -11.014 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 7 59.045 -10.174 -1.185 1.00 0.00 H new ATOM 132 N GLU A 8 60.395 -9.309 0.648 1.00 0.00 N ATOM 133 CA GLU A 8 61.613 -9.925 1.236 1.00 0.00 C ATOM 134 C GLU A 8 62.115 -9.058 2.395 1.00 0.00 C ATOM 135 O GLU A 8 62.432 -9.551 3.460 1.00 0.00 O ATOM 136 CB GLU A 8 62.698 -10.024 0.160 1.00 0.00 C ATOM 137 CG GLU A 8 63.178 -8.619 -0.217 1.00 0.00 C ATOM 138 CD GLU A 8 64.291 -8.725 -1.261 1.00 0.00 C ATOM 139 OE1 GLU A 8 64.850 -9.800 -1.395 1.00 0.00 O ATOM 140 OE2 GLU A 8 64.565 -7.728 -1.909 1.00 0.00 O ATOM 0 H GLU A 8 60.530 -8.868 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 8 61.377 -10.922 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 8 63.535 -10.619 0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 8 62.306 -10.534 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 8 62.348 -8.033 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 8 63.543 -8.098 0.668 1.00 0.00 H new ATOM 147 N ILE A 9 62.190 -7.767 2.200 1.00 0.00 N ATOM 148 CA ILE A 9 62.670 -6.880 3.291 1.00 0.00 C ATOM 149 C ILE A 9 61.571 -6.773 4.342 1.00 0.00 C ATOM 150 O ILE A 9 61.827 -6.734 5.529 1.00 0.00 O ATOM 151 CB ILE A 9 63.014 -5.496 2.720 1.00 0.00 C ATOM 152 CG1 ILE A 9 63.996 -4.792 3.659 1.00 0.00 C ATOM 153 CG2 ILE A 9 61.747 -4.649 2.578 1.00 0.00 C ATOM 154 CD1 ILE A 9 63.435 -4.792 5.081 1.00 0.00 C ATOM 0 H ILE A 9 61.939 -7.293 1.332 1.00 0.00 H new ATOM 0 HA ILE A 9 63.570 -7.291 3.748 1.00 0.00 H new ATOM 0 HB ILE A 9 63.466 -5.620 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 9 64.961 -5.298 3.638 1.00 0.00 H new ATOM 0 HG13 ILE A 9 64.165 -3.769 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 9 62.007 -3.671 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 9 61.050 -5.148 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 9 61.281 -4.524 3.556 1.00 0.00 H new ATOM 0 HD11 ILE A 9 64.136 -4.290 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 9 62.480 -4.266 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 9 63.289 -5.819 5.414 1.00 0.00 H new ATOM 166 N ALA A 10 60.345 -6.751 3.909 1.00 0.00 N ATOM 167 CA ALA A 10 59.220 -6.677 4.873 1.00 0.00 C ATOM 168 C ALA A 10 59.275 -7.908 5.767 1.00 0.00 C ATOM 169 O ALA A 10 59.122 -7.830 6.970 1.00 0.00 O ATOM 170 CB ALA A 10 57.900 -6.676 4.111 1.00 0.00 C ATOM 0 H ALA A 10 60.074 -6.781 2.926 1.00 0.00 H new ATOM 0 HA ALA A 10 59.296 -5.768 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 10 57.072 -6.622 4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 10 57.865 -5.814 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 10 57.817 -7.591 3.525 1.00 0.00 H new ATOM 176 N ALA A 11 59.497 -9.048 5.175 1.00 0.00 N ATOM 177 CA ALA A 11 59.570 -10.300 5.970 1.00 0.00 C ATOM 178 C ALA A 11 60.873 -10.321 6.762 1.00 0.00 C ATOM 179 O ALA A 11 60.951 -10.915 7.820 1.00 0.00 O ATOM 180 CB ALA A 11 59.531 -11.504 5.031 1.00 0.00 C ATOM 0 H ALA A 11 59.631 -9.164 4.171 1.00 0.00 H new ATOM 0 HA ALA A 11 58.723 -10.345 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 11 59.585 -12.423 5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 11 58.602 -11.490 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 11 60.378 -11.459 4.347 1.00 0.00 H new ATOM 186 N LYS A 12 61.904 -9.685 6.271 1.00 0.00 N ATOM 187 CA LYS A 12 63.185 -9.700 7.039 1.00 0.00 C ATOM 188 C LYS A 12 63.193 -8.544 8.045 1.00 0.00 C ATOM 189 O LYS A 12 64.185 -7.877 8.244 1.00 0.00 O ATOM 190 CB LYS A 12 64.389 -9.613 6.081 1.00 0.00 C ATOM 191 CG LYS A 12 64.746 -8.155 5.772 1.00 0.00 C ATOM 192 CD LYS A 12 66.047 -7.775 6.488 1.00 0.00 C ATOM 193 CE LYS A 12 67.241 -8.334 5.712 1.00 0.00 C ATOM 194 NZ LYS A 12 67.802 -9.504 6.445 1.00 0.00 N ATOM 0 H LYS A 12 61.918 -9.167 5.392 1.00 0.00 H new ATOM 0 HA LYS A 12 63.266 -10.639 7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 12 65.248 -10.114 6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 12 64.159 -10.138 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 12 64.859 -8.019 4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 12 63.938 -7.497 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 12 66.127 -6.691 6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 12 66.044 -8.170 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 12 66.931 -8.633 4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 12 68.004 -7.565 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 68.823 -9.573 6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 67.643 -9.383 7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 67.332 -10.374 6.122 1.00 0.00 H new ATOM 208 N TYR A 13 62.089 -8.308 8.689 1.00 0.00 N ATOM 209 CA TYR A 13 62.036 -7.203 9.684 1.00 0.00 C ATOM 210 C TYR A 13 62.059 -7.783 11.099 1.00 0.00 C ATOM 211 O TYR A 13 61.239 -8.604 11.459 1.00 0.00 O ATOM 212 CB TYR A 13 60.753 -6.397 9.481 1.00 0.00 C ATOM 213 CG TYR A 13 61.004 -5.276 8.501 1.00 0.00 C ATOM 214 CD1 TYR A 13 62.178 -4.512 8.579 1.00 0.00 C ATOM 215 CD2 TYR A 13 60.059 -5.003 7.510 1.00 0.00 C ATOM 216 CE1 TYR A 13 62.400 -3.477 7.663 1.00 0.00 C ATOM 217 CE2 TYR A 13 60.282 -3.968 6.596 1.00 0.00 C ATOM 218 CZ TYR A 13 61.452 -3.206 6.671 1.00 0.00 C ATOM 219 OH TYR A 13 61.669 -2.185 5.768 1.00 0.00 O ATOM 0 H TYR A 13 61.221 -8.831 8.571 1.00 0.00 H new ATOM 0 HA TYR A 13 62.900 -6.552 9.549 1.00 0.00 H new ATOM 0 HB2 TYR A 13 59.960 -7.046 9.110 1.00 0.00 H new ATOM 0 HB3 TYR A 13 60.413 -5.991 10.434 1.00 0.00 H new ATOM 0 HD1 TYR A 13 62.910 -4.722 9.345 1.00 0.00 H new ATOM 0 HD2 TYR A 13 59.155 -5.591 7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 13 63.303 -2.888 7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 13 59.549 -3.757 5.831 1.00 0.00 H new ATOM 0 HH TYR A 13 62.632 -2.075 5.624 1.00 0.00 H new ATOM 229 N LYS A 14 62.992 -7.354 11.906 1.00 0.00 N ATOM 230 CA LYS A 14 63.071 -7.863 13.306 1.00 0.00 C ATOM 231 C LYS A 14 62.136 -7.032 14.178 1.00 0.00 C ATOM 232 O LYS A 14 62.556 -6.395 15.121 1.00 0.00 O ATOM 233 CB LYS A 14 64.503 -7.715 13.824 1.00 0.00 C ATOM 234 CG LYS A 14 64.838 -6.230 13.982 1.00 0.00 C ATOM 235 CD LYS A 14 65.260 -5.950 15.425 1.00 0.00 C ATOM 236 CE LYS A 14 66.750 -5.606 15.465 1.00 0.00 C ATOM 237 NZ LYS A 14 67.175 -5.403 16.879 1.00 0.00 N ATOM 0 H LYS A 14 63.706 -6.670 11.655 1.00 0.00 H new ATOM 0 HA LYS A 14 62.783 -8.914 13.336 1.00 0.00 H new ATOM 0 HB2 LYS A 14 64.610 -8.227 14.781 1.00 0.00 H new ATOM 0 HB3 LYS A 14 65.202 -8.185 13.132 1.00 0.00 H new ATOM 0 HG2 LYS A 14 65.640 -5.953 13.298 1.00 0.00 H new ATOM 0 HG3 LYS A 14 63.972 -5.622 13.721 1.00 0.00 H new ATOM 0 HD2 LYS A 14 64.675 -5.126 15.832 1.00 0.00 H new ATOM 0 HD3 LYS A 14 65.060 -6.821 16.049 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.332 -6.408 15.011 1.00 0.00 H new ATOM 0 HE3 LYS A 14 66.942 -4.704 14.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 68.188 -5.169 16.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 66.628 -4.624 17.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.006 -6.274 17.421 1.00 0.00 H new ATOM 251 N HIS A 15 60.873 -7.015 13.865 1.00 0.00 N ATOM 252 CA HIS A 15 59.929 -6.203 14.663 1.00 0.00 C ATOM 253 C HIS A 15 58.500 -6.543 14.238 1.00 0.00 C ATOM 254 O HIS A 15 58.203 -6.646 13.066 1.00 0.00 O ATOM 255 CB HIS A 15 60.231 -4.726 14.397 1.00 0.00 C ATOM 256 CG HIS A 15 60.677 -4.069 15.672 1.00 0.00 C ATOM 257 ND1 HIS A 15 62.015 -4.012 16.038 1.00 0.00 N ATOM 258 CD2 HIS A 15 59.984 -3.444 16.678 1.00 0.00 C ATOM 259 CE1 HIS A 15 62.082 -3.371 17.219 1.00 0.00 C ATOM 260 NE2 HIS A 15 60.873 -3.004 17.655 1.00 0.00 N ATOM 0 H HIS A 15 60.457 -7.530 13.089 1.00 0.00 H new ATOM 0 HA HIS A 15 60.035 -6.411 15.728 1.00 0.00 H new ATOM 0 HB2 HIS A 15 61.007 -4.633 13.637 1.00 0.00 H new ATOM 0 HB3 HIS A 15 59.343 -4.226 14.009 1.00 0.00 H new ATOM 0 HD1 HIS A 15 62.802 -4.387 15.509 1.00 0.00 H new ATOM 0 HD2 HIS A 15 58.912 -3.313 16.707 1.00 0.00 H new ATOM 0 HE1 HIS A 15 63.002 -3.176 17.751 1.00 0.00 H new ATOM 268 N SER A 16 57.624 -6.741 15.182 1.00 0.00 N ATOM 269 CA SER A 16 56.214 -7.096 14.842 1.00 0.00 C ATOM 270 C SER A 16 55.418 -5.830 14.508 1.00 0.00 C ATOM 271 O SER A 16 54.479 -5.476 15.192 1.00 0.00 O ATOM 272 CB SER A 16 55.565 -7.806 16.031 1.00 0.00 C ATOM 273 OG SER A 16 54.320 -8.359 15.626 1.00 0.00 O ATOM 0 H SER A 16 57.823 -6.672 16.180 1.00 0.00 H new ATOM 0 HA SER A 16 56.214 -7.757 13.975 1.00 0.00 H new ATOM 0 HB2 SER A 16 56.222 -8.593 16.402 1.00 0.00 H new ATOM 0 HB3 SER A 16 55.414 -7.103 16.851 1.00 0.00 H new ATOM 0 HG SER A 16 53.902 -8.816 16.386 1.00 0.00 H new ATOM 279 N VAL A 17 55.787 -5.155 13.457 1.00 0.00 N ATOM 280 CA VAL A 17 55.058 -3.917 13.061 1.00 0.00 C ATOM 281 C VAL A 17 55.711 -3.301 11.813 1.00 0.00 C ATOM 282 O VAL A 17 55.065 -2.640 11.026 1.00 0.00 O ATOM 283 CB VAL A 17 55.098 -2.913 14.213 1.00 0.00 C ATOM 284 CG1 VAL A 17 56.475 -2.250 14.277 1.00 0.00 C ATOM 285 CG2 VAL A 17 54.029 -1.847 13.982 1.00 0.00 C ATOM 0 H VAL A 17 56.567 -5.408 12.851 1.00 0.00 H new ATOM 0 HA VAL A 17 54.022 -4.167 12.832 1.00 0.00 H new ATOM 0 HB VAL A 17 54.908 -3.430 15.154 1.00 0.00 H new ATOM 0 HG11 VAL A 17 56.497 -1.536 15.100 1.00 0.00 H new ATOM 0 HG12 VAL A 17 57.238 -3.011 14.437 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.672 -1.730 13.340 1.00 0.00 H new ATOM 0 HG21 VAL A 17 54.051 -1.127 14.800 1.00 0.00 H new ATOM 0 HG22 VAL A 17 54.225 -1.333 13.041 1.00 0.00 H new ATOM 0 HG23 VAL A 17 53.047 -2.319 13.941 1.00 0.00 H new ATOM 295 N VAL A 18 56.990 -3.507 11.638 1.00 0.00 N ATOM 296 CA VAL A 18 57.695 -2.931 10.456 1.00 0.00 C ATOM 297 C VAL A 18 57.051 -3.438 9.164 1.00 0.00 C ATOM 298 O VAL A 18 57.197 -2.846 8.114 1.00 0.00 O ATOM 299 CB VAL A 18 59.160 -3.366 10.491 1.00 0.00 C ATOM 300 CG1 VAL A 18 59.973 -2.533 9.514 1.00 0.00 C ATOM 301 CG2 VAL A 18 59.730 -3.164 11.891 1.00 0.00 C ATOM 0 H VAL A 18 57.579 -4.053 12.267 1.00 0.00 H new ATOM 0 HA VAL A 18 57.625 -1.844 10.488 1.00 0.00 H new ATOM 0 HB VAL A 18 59.214 -4.419 10.216 1.00 0.00 H new ATOM 0 HG11 VAL A 18 61.016 -2.850 9.546 1.00 0.00 H new ATOM 0 HG12 VAL A 18 59.582 -2.671 8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 18 59.905 -1.480 9.789 1.00 0.00 H new ATOM 0 HG21 VAL A 18 60.774 -3.476 11.907 1.00 0.00 H new ATOM 0 HG22 VAL A 18 59.662 -2.111 12.163 1.00 0.00 H new ATOM 0 HG23 VAL A 18 59.162 -3.760 12.605 1.00 0.00 H new ATOM 311 N LYS A 19 56.348 -4.533 9.229 1.00 0.00 N ATOM 312 CA LYS A 19 55.707 -5.079 8.005 1.00 0.00 C ATOM 313 C LYS A 19 54.806 -4.012 7.377 1.00 0.00 C ATOM 314 O LYS A 19 54.953 -3.664 6.222 1.00 0.00 O ATOM 315 CB LYS A 19 54.866 -6.302 8.372 1.00 0.00 C ATOM 316 CG LYS A 19 55.737 -7.559 8.312 1.00 0.00 C ATOM 317 CD LYS A 19 56.039 -8.042 9.732 1.00 0.00 C ATOM 318 CE LYS A 19 54.861 -8.867 10.252 1.00 0.00 C ATOM 319 NZ LYS A 19 54.849 -10.195 9.577 1.00 0.00 N ATOM 0 H LYS A 19 56.190 -5.074 10.079 1.00 0.00 H new ATOM 0 HA LYS A 19 56.479 -5.368 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.450 -6.183 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.025 -6.397 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.226 -8.342 7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.666 -7.345 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 19 56.948 -8.643 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 19 56.217 -7.189 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 19 54.942 -8.996 11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 19 53.924 -8.343 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 54.349 -10.884 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 54.364 -10.114 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 55.826 -10.515 9.424 1.00 0.00 H new ATOM 333 N LYS A 20 53.873 -3.489 8.127 1.00 0.00 N ATOM 334 CA LYS A 20 52.966 -2.448 7.567 1.00 0.00 C ATOM 335 C LYS A 20 53.801 -1.267 7.063 1.00 0.00 C ATOM 336 O LYS A 20 53.594 -0.758 5.982 1.00 0.00 O ATOM 337 CB LYS A 20 51.979 -1.981 8.656 1.00 0.00 C ATOM 338 CG LYS A 20 52.461 -0.678 9.315 1.00 0.00 C ATOM 339 CD LYS A 20 51.412 -0.192 10.316 1.00 0.00 C ATOM 340 CE LYS A 20 51.602 -0.922 11.647 1.00 0.00 C ATOM 341 NZ LYS A 20 51.690 0.072 12.754 1.00 0.00 N ATOM 0 H LYS A 20 53.701 -3.738 9.101 1.00 0.00 H new ATOM 0 HA LYS A 20 52.398 -2.863 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 20 50.993 -1.827 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 20 51.873 -2.758 9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 20 53.412 -0.845 9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 20 52.634 0.084 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 20 51.504 0.884 10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 20 50.410 -0.376 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 20 50.769 -1.603 11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 20 52.508 -1.527 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 51.768 -0.427 13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 52.528 0.673 12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 50.836 0.665 12.757 1.00 0.00 H new ATOM 355 N CYS A 21 54.732 -0.823 7.858 1.00 0.00 N ATOM 356 CA CYS A 21 55.582 0.331 7.460 1.00 0.00 C ATOM 357 C CYS A 21 56.116 0.126 6.042 1.00 0.00 C ATOM 358 O CYS A 21 55.975 0.976 5.186 1.00 0.00 O ATOM 359 CB CYS A 21 56.749 0.447 8.439 1.00 0.00 C ATOM 360 SG CYS A 21 56.124 1.021 10.037 1.00 0.00 S ATOM 0 H CYS A 21 54.942 -1.215 8.776 1.00 0.00 H new ATOM 0 HA CYS A 21 54.988 1.245 7.481 1.00 0.00 H new ATOM 0 HB2 CYS A 21 57.242 -0.518 8.553 1.00 0.00 H new ATOM 0 HB3 CYS A 21 57.495 1.143 8.055 1.00 0.00 H new ATOM 365 N CYS A 22 56.720 -0.996 5.785 1.00 0.00 N ATOM 366 CA CYS A 22 57.254 -1.262 4.424 1.00 0.00 C ATOM 367 C CYS A 22 56.075 -1.457 3.474 1.00 0.00 C ATOM 368 O CYS A 22 56.178 -1.232 2.284 1.00 0.00 O ATOM 369 CB CYS A 22 58.125 -2.523 4.469 1.00 0.00 C ATOM 370 SG CYS A 22 58.320 -3.222 2.809 1.00 0.00 S ATOM 0 H CYS A 22 56.868 -1.744 6.462 1.00 0.00 H new ATOM 0 HA CYS A 22 57.863 -0.428 4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 22 59.103 -2.281 4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 22 57.671 -3.262 5.130 1.00 0.00 H new ATOM 375 N TYR A 23 54.954 -1.866 3.994 1.00 0.00 N ATOM 376 CA TYR A 23 53.769 -2.062 3.123 1.00 0.00 C ATOM 377 C TYR A 23 53.425 -0.734 2.453 1.00 0.00 C ATOM 378 O TYR A 23 53.383 -0.623 1.243 1.00 0.00 O ATOM 379 CB TYR A 23 52.588 -2.531 3.965 1.00 0.00 C ATOM 380 CG TYR A 23 52.018 -3.769 3.356 1.00 0.00 C ATOM 381 CD1 TYR A 23 51.404 -3.722 2.098 1.00 0.00 C ATOM 382 CD2 TYR A 23 52.103 -4.966 4.049 1.00 0.00 C ATOM 383 CE1 TYR A 23 50.873 -4.888 1.540 1.00 0.00 C ATOM 384 CE2 TYR A 23 51.577 -6.123 3.499 1.00 0.00 C ATOM 385 CZ TYR A 23 50.960 -6.093 2.242 1.00 0.00 C ATOM 386 OH TYR A 23 50.438 -7.250 1.700 1.00 0.00 O ATOM 0 H TYR A 23 54.809 -2.072 4.982 1.00 0.00 H new ATOM 0 HA TYR A 23 53.987 -2.814 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 23 52.910 -2.728 4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 23 51.828 -1.751 4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 23 51.341 -2.787 1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 23 52.579 -4.997 5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 23 50.398 -4.858 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 23 51.643 -7.054 4.043 1.00 0.00 H new ATOM 0 HH TYR A 23 50.585 -7.996 2.318 1.00 0.00 H new ATOM 396 N ASP A 24 53.194 0.285 3.237 1.00 0.00 N ATOM 397 CA ASP A 24 52.870 1.611 2.656 1.00 0.00 C ATOM 398 C ASP A 24 54.084 2.112 1.882 1.00 0.00 C ATOM 399 O ASP A 24 53.967 2.610 0.785 1.00 0.00 O ATOM 400 CB ASP A 24 52.528 2.594 3.778 1.00 0.00 C ATOM 401 CG ASP A 24 51.522 1.948 4.733 1.00 0.00 C ATOM 402 OD1 ASP A 24 51.944 1.156 5.559 1.00 0.00 O ATOM 403 OD2 ASP A 24 50.346 2.255 4.621 1.00 0.00 O ATOM 0 H ASP A 24 53.217 0.252 4.256 1.00 0.00 H new ATOM 0 HA ASP A 24 52.013 1.527 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 24 53.432 2.873 4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 24 52.111 3.510 3.359 1.00 0.00 H new ATOM 408 N GLY A 25 55.258 1.968 2.438 1.00 0.00 N ATOM 409 CA GLY A 25 56.480 2.423 1.718 1.00 0.00 C ATOM 410 C GLY A 25 56.360 2.010 0.251 1.00 0.00 C ATOM 411 O GLY A 25 56.411 2.830 -0.642 1.00 0.00 O ATOM 0 H GLY A 25 55.422 1.556 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 25 56.587 3.505 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 25 57.370 1.980 2.165 1.00 0.00 H new ATOM 415 N ALA A 26 56.172 0.746 -0.003 1.00 0.00 N ATOM 416 CA ALA A 26 56.023 0.292 -1.412 1.00 0.00 C ATOM 417 C ALA A 26 54.734 0.878 -1.992 1.00 0.00 C ATOM 418 O ALA A 26 54.652 1.184 -3.165 1.00 0.00 O ATOM 419 CB ALA A 26 55.952 -1.235 -1.451 1.00 0.00 C ATOM 0 H ALA A 26 56.115 0.010 0.701 1.00 0.00 H new ATOM 0 HA ALA A 26 56.877 0.628 -2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 26 55.843 -1.568 -2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 26 56.866 -1.653 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 26 55.096 -1.574 -0.868 1.00 0.00 H new ATOM 425 N CYS A 27 53.722 1.033 -1.179 1.00 0.00 N ATOM 426 CA CYS A 27 52.438 1.597 -1.687 1.00 0.00 C ATOM 427 C CYS A 27 52.432 3.121 -1.512 1.00 0.00 C ATOM 428 O CYS A 27 51.388 3.743 -1.514 1.00 0.00 O ATOM 429 CB CYS A 27 51.272 0.990 -0.903 1.00 0.00 C ATOM 430 SG CYS A 27 51.501 -0.801 -0.773 1.00 0.00 S ATOM 0 H CYS A 27 53.729 0.794 -0.187 1.00 0.00 H new ATOM 0 HA CYS A 27 52.334 1.358 -2.745 1.00 0.00 H new ATOM 0 HB2 CYS A 27 51.218 1.434 0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 27 50.329 1.212 -1.403 1.00 0.00 H new ATOM 0 HG CYS A 27 52.351 -1.062 0.175 1.00 0.00 H new ATOM 436 N VAL A 28 53.592 3.714 -1.344 1.00 0.00 N ATOM 437 CA VAL A 28 53.685 5.195 -1.151 1.00 0.00 C ATOM 438 C VAL A 28 52.577 5.898 -1.947 1.00 0.00 C ATOM 439 O VAL A 28 52.123 5.408 -2.962 1.00 0.00 O ATOM 440 CB VAL A 28 55.059 5.679 -1.640 1.00 0.00 C ATOM 441 CG1 VAL A 28 55.440 4.929 -2.918 1.00 0.00 C ATOM 442 CG2 VAL A 28 55.010 7.185 -1.929 1.00 0.00 C ATOM 0 H VAL A 28 54.488 3.227 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 28 53.565 5.432 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 28 55.802 5.485 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 28 56.415 5.273 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 28 55.484 3.859 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 28 54.693 5.120 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 28 55.987 7.521 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 28 54.264 7.384 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 28 54.743 7.722 -1.019 1.00 0.00 H new ATOM 452 N ASN A 29 52.142 7.041 -1.495 1.00 0.00 N ATOM 453 CA ASN A 29 51.066 7.771 -2.222 1.00 0.00 C ATOM 454 C ASN A 29 51.668 8.546 -3.397 1.00 0.00 C ATOM 455 O ASN A 29 51.255 8.394 -4.530 1.00 0.00 O ATOM 456 CB ASN A 29 50.380 8.749 -1.265 1.00 0.00 C ATOM 457 CG ASN A 29 49.342 9.571 -2.032 1.00 0.00 C ATOM 458 OD1 ASN A 29 49.668 10.236 -2.994 1.00 0.00 O ATOM 459 ND2 ASN A 29 48.097 9.557 -1.640 1.00 0.00 N ATOM 0 H ASN A 29 52.486 7.502 -0.652 1.00 0.00 H new ATOM 0 HA ASN A 29 50.336 7.055 -2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 29 49.899 8.203 -0.453 1.00 0.00 H new ATOM 0 HB3 ASN A 29 51.119 9.409 -0.811 1.00 0.00 H new ATOM 0 HD21 ASN A 29 47.398 10.105 -2.142 1.00 0.00 H new ATOM 0 HD22 ASN A 29 47.823 8.998 -0.832 1.00 0.00 H new ATOM 507 N THR A 33 58.696 12.267 -1.872 1.00 0.00 N ATOM 508 CA THR A 33 58.302 12.273 -0.433 1.00 0.00 C ATOM 509 C THR A 33 57.146 11.302 -0.213 1.00 0.00 C ATOM 510 O THR A 33 55.990 11.672 -0.261 1.00 0.00 O ATOM 511 CB THR A 33 57.864 13.683 -0.034 1.00 0.00 C ATOM 512 OG1 THR A 33 57.224 14.309 -1.138 1.00 0.00 O ATOM 513 CG2 THR A 33 59.090 14.499 0.381 1.00 0.00 C ATOM 0 HA THR A 33 59.152 11.966 0.177 1.00 0.00 H new ATOM 0 HB THR A 33 57.168 13.626 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 33 57.505 13.873 -1.969 1.00 0.00 H new ATOM 0 HG21 THR A 33 58.779 15.504 0.666 1.00 0.00 H new ATOM 0 HG22 THR A 33 59.578 14.017 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 33 59.788 14.558 -0.454 1.00 0.00 H new ATOM 521 N CYS A 34 57.453 10.064 0.032 1.00 0.00 N ATOM 522 CA CYS A 34 56.381 9.063 0.261 1.00 0.00 C ATOM 523 C CYS A 34 55.540 9.496 1.473 1.00 0.00 C ATOM 524 O CYS A 34 54.613 10.272 1.345 1.00 0.00 O ATOM 525 CB CYS A 34 57.022 7.693 0.505 1.00 0.00 C ATOM 526 SG CYS A 34 58.177 7.316 -0.841 1.00 0.00 S ATOM 0 H CYS A 34 58.404 9.700 0.084 1.00 0.00 H new ATOM 0 HA CYS A 34 55.729 8.995 -0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 34 57.547 7.690 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 34 56.251 6.924 0.563 1.00 0.00 H new ATOM 531 N GLU A 35 55.857 9.018 2.647 1.00 0.00 N ATOM 532 CA GLU A 35 55.074 9.427 3.850 1.00 0.00 C ATOM 533 C GLU A 35 55.177 10.942 4.017 1.00 0.00 C ATOM 534 O GLU A 35 54.225 11.606 4.398 1.00 0.00 O ATOM 535 CB GLU A 35 55.630 8.728 5.089 1.00 0.00 C ATOM 536 CG GLU A 35 55.479 7.220 4.913 1.00 0.00 C ATOM 537 CD GLU A 35 54.158 6.763 5.532 1.00 0.00 C ATOM 538 OE1 GLU A 35 53.440 7.609 6.039 1.00 0.00 O ATOM 539 OE2 GLU A 35 53.887 5.574 5.489 1.00 0.00 O ATOM 0 H GLU A 35 56.620 8.365 2.825 1.00 0.00 H new ATOM 0 HA GLU A 35 54.029 9.143 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 35 56.679 8.988 5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 35 55.097 9.059 5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 35 55.505 6.963 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 35 56.313 6.703 5.387 1.00 0.00 H new ATOM 546 N GLN A 36 56.318 11.508 3.714 1.00 0.00 N ATOM 547 CA GLN A 36 56.447 12.983 3.830 1.00 0.00 C ATOM 548 C GLN A 36 55.254 13.587 3.104 1.00 0.00 C ATOM 549 O GLN A 36 54.630 14.521 3.570 1.00 0.00 O ATOM 550 CB GLN A 36 57.750 13.452 3.178 1.00 0.00 C ATOM 551 CG GLN A 36 58.717 13.937 4.262 1.00 0.00 C ATOM 552 CD GLN A 36 60.158 13.771 3.775 1.00 0.00 C ATOM 553 OE1 GLN A 36 60.517 14.265 2.723 1.00 0.00 O ATOM 554 NE2 GLN A 36 61.007 13.095 4.500 1.00 0.00 N ATOM 0 H GLN A 36 57.153 11.016 3.396 1.00 0.00 H new ATOM 0 HA GLN A 36 56.468 13.292 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 36 58.200 12.636 2.612 1.00 0.00 H new ATOM 0 HB3 GLN A 36 57.547 14.256 2.471 1.00 0.00 H new ATOM 0 HG2 GLN A 36 58.520 14.983 4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 36 58.565 13.369 5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 60.707 12.680 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 36 61.970 12.981 4.184 1.00 0.00 H new ATOM 563 N ARG A 37 54.907 13.022 1.978 1.00 0.00 N ATOM 564 CA ARG A 37 53.724 13.519 1.237 1.00 0.00 C ATOM 565 C ARG A 37 52.486 13.109 2.030 1.00 0.00 C ATOM 566 O ARG A 37 51.527 13.850 2.127 1.00 0.00 O ATOM 567 CB ARG A 37 53.676 12.898 -0.161 1.00 0.00 C ATOM 568 CG ARG A 37 52.437 13.406 -0.901 1.00 0.00 C ATOM 569 CD ARG A 37 52.776 14.705 -1.638 1.00 0.00 C ATOM 570 NE ARG A 37 52.517 15.866 -0.741 1.00 0.00 N ATOM 571 CZ ARG A 37 53.258 16.939 -0.830 1.00 0.00 C ATOM 572 NH1 ARG A 37 54.442 16.961 -0.281 1.00 0.00 N ATOM 573 NH2 ARG A 37 52.813 17.988 -1.465 1.00 0.00 N ATOM 0 H ARG A 37 55.395 12.238 1.544 1.00 0.00 H new ATOM 0 HA ARG A 37 53.771 14.602 1.123 1.00 0.00 H new ATOM 0 HB2 ARG A 37 54.577 13.157 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 37 53.649 11.811 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 37 52.090 12.654 -1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 37 51.624 13.578 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 37 53.821 14.698 -1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 37 52.175 14.790 -2.543 1.00 0.00 H new ATOM 0 HE ARG A 37 51.761 15.823 -0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 37 54.788 16.141 0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 37 55.021 17.798 -0.350 1.00 0.00 H new ATOM 0 HH21 ARG A 37 51.887 17.971 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 37 53.391 18.825 -1.534 1.00 0.00 H new ATOM 587 N ALA A 38 52.515 11.936 2.623 1.00 0.00 N ATOM 588 CA ALA A 38 51.353 11.486 3.442 1.00 0.00 C ATOM 589 C ALA A 38 50.882 12.664 4.283 1.00 0.00 C ATOM 590 O ALA A 38 49.785 13.162 4.130 1.00 0.00 O ATOM 591 CB ALA A 38 51.786 10.336 4.367 1.00 0.00 C ATOM 0 H ALA A 38 53.292 11.277 2.573 1.00 0.00 H new ATOM 0 HA ALA A 38 50.549 11.135 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 38 50.935 10.009 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 38 52.149 9.502 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 38 52.582 10.680 5.027 1.00 0.00 H new ATOM 597 N ALA A 39 51.723 13.118 5.159 1.00 0.00 N ATOM 598 CA ALA A 39 51.366 14.278 6.016 1.00 0.00 C ATOM 599 C ALA A 39 52.522 14.517 6.975 1.00 0.00 C ATOM 600 O ALA A 39 52.968 15.627 7.188 1.00 0.00 O ATOM 601 CB ALA A 39 50.094 13.967 6.806 1.00 0.00 C ATOM 0 H ALA A 39 52.653 12.733 5.322 1.00 0.00 H new ATOM 0 HA ALA A 39 51.186 15.163 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 39 49.837 14.821 7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 39 49.276 13.765 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 39 50.261 13.093 7.435 1.00 0.00 H new ATOM 607 N ARG A 40 53.004 13.455 7.544 1.00 0.00 N ATOM 608 CA ARG A 40 54.139 13.545 8.498 1.00 0.00 C ATOM 609 C ARG A 40 54.425 12.145 9.022 1.00 0.00 C ATOM 610 O ARG A 40 53.622 11.571 9.729 1.00 0.00 O ATOM 611 CB ARG A 40 53.769 14.463 9.662 1.00 0.00 C ATOM 612 CG ARG A 40 54.563 15.766 9.557 1.00 0.00 C ATOM 613 CD ARG A 40 54.773 16.352 10.954 1.00 0.00 C ATOM 614 NE ARG A 40 55.388 17.704 10.838 1.00 0.00 N ATOM 615 CZ ARG A 40 54.660 18.770 11.027 1.00 0.00 C ATOM 616 NH1 ARG A 40 53.671 19.037 10.219 1.00 0.00 N ATOM 617 NH2 ARG A 40 54.921 19.569 12.026 1.00 0.00 N ATOM 0 H ARG A 40 52.654 12.510 7.386 1.00 0.00 H new ATOM 0 HA ARG A 40 55.018 13.953 8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 40 52.700 14.674 9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 40 53.983 13.970 10.610 1.00 0.00 H new ATOM 0 HG2 ARG A 40 55.526 15.580 9.081 1.00 0.00 H new ATOM 0 HG3 ARG A 40 54.030 16.479 8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 40 53.820 16.418 11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 40 55.416 15.697 11.542 1.00 0.00 H new ATOM 0 HE ARG A 40 56.378 17.796 10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 40 53.467 18.412 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 40 53.102 19.871 10.367 1.00 0.00 H new ATOM 0 HH21 ARG A 40 55.694 19.360 12.658 1.00 0.00 H new ATOM 0 HH22 ARG A 40 54.352 20.403 12.174 1.00 0.00 H new ATOM 631 N ILE A 41 55.545 11.571 8.679 1.00 0.00 N ATOM 632 CA ILE A 41 55.823 10.198 9.173 1.00 0.00 C ATOM 633 C ILE A 41 55.659 10.166 10.673 1.00 0.00 C ATOM 634 O ILE A 41 56.568 10.452 11.427 1.00 0.00 O ATOM 635 CB ILE A 41 57.229 9.735 8.792 1.00 0.00 C ATOM 636 CG1 ILE A 41 57.350 8.260 9.159 1.00 0.00 C ATOM 637 CG2 ILE A 41 58.283 10.544 9.551 1.00 0.00 C ATOM 638 CD1 ILE A 41 56.382 7.459 8.284 1.00 0.00 C ATOM 0 H ILE A 41 56.266 11.986 8.089 1.00 0.00 H new ATOM 0 HA ILE A 41 55.114 9.516 8.705 1.00 0.00 H new ATOM 0 HB ILE A 41 57.393 9.882 7.725 1.00 0.00 H new ATOM 0 HG12 ILE A 41 58.372 7.915 9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 41 57.118 8.112 10.214 1.00 0.00 H new ATOM 0 HG21 ILE A 41 59.278 10.201 9.268 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.179 11.600 9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 41 58.144 10.407 10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.456 6.401 8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 41 55.363 7.803 8.460 1.00 0.00 H new ATOM 0 HD13 ILE A 41 56.637 7.602 7.234 1.00 0.00 H new ATOM 650 N SER A 42 54.497 9.810 11.116 1.00 0.00 N ATOM 651 CA SER A 42 54.273 9.750 12.564 1.00 0.00 C ATOM 652 C SER A 42 53.529 8.489 12.915 1.00 0.00 C ATOM 653 O SER A 42 52.570 8.497 13.661 1.00 0.00 O ATOM 654 CB SER A 42 53.498 10.974 13.032 1.00 0.00 C ATOM 655 OG SER A 42 52.110 10.767 12.811 1.00 0.00 O ATOM 0 H SER A 42 53.697 9.559 10.535 1.00 0.00 H new ATOM 0 HA SER A 42 55.238 9.742 13.071 1.00 0.00 H new ATOM 0 HB2 SER A 42 53.686 11.154 14.090 1.00 0.00 H new ATOM 0 HB3 SER A 42 53.835 11.859 12.493 1.00 0.00 H new ATOM 0 HG SER A 42 51.792 10.041 13.388 1.00 0.00 H new ATOM 661 N LEU A 43 53.987 7.392 12.409 1.00 0.00 N ATOM 662 CA LEU A 43 53.332 6.124 12.745 1.00 0.00 C ATOM 663 C LEU A 43 54.311 5.278 13.556 1.00 0.00 C ATOM 664 O LEU A 43 53.954 4.262 14.119 1.00 0.00 O ATOM 665 CB LEU A 43 52.916 5.384 11.471 1.00 0.00 C ATOM 666 CG LEU A 43 51.508 5.817 11.062 1.00 0.00 C ATOM 667 CD1 LEU A 43 51.327 5.610 9.557 1.00 0.00 C ATOM 668 CD2 LEU A 43 50.476 4.977 11.819 1.00 0.00 C ATOM 0 H LEU A 43 54.786 7.323 11.778 1.00 0.00 H new ATOM 0 HA LEU A 43 52.432 6.314 13.330 1.00 0.00 H new ATOM 0 HB2 LEU A 43 53.621 5.598 10.668 1.00 0.00 H new ATOM 0 HB3 LEU A 43 52.942 4.307 11.639 1.00 0.00 H new ATOM 0 HG LEU A 43 51.368 6.871 11.304 1.00 0.00 H new ATOM 0 HD11 LEU A 43 50.323 5.919 9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 43 52.062 6.207 9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 43 51.467 4.556 9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 43 49.472 5.285 11.528 1.00 0.00 H new ATOM 0 HD22 LEU A 43 50.617 3.923 11.577 1.00 0.00 H new ATOM 0 HD23 LEU A 43 50.604 5.123 12.892 1.00 0.00 H new ATOM 680 N GLY A 44 55.548 5.701 13.629 1.00 0.00 N ATOM 681 CA GLY A 44 56.548 4.924 14.419 1.00 0.00 C ATOM 682 C GLY A 44 57.958 5.178 13.883 1.00 0.00 C ATOM 683 O GLY A 44 58.133 5.765 12.833 1.00 0.00 O ATOM 0 H GLY A 44 55.906 6.544 13.179 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.494 5.210 15.469 1.00 0.00 H new ATOM 0 HA3 GLY A 44 56.317 3.860 14.366 1.00 0.00 H new ATOM 687 N PRO A 45 58.950 4.725 14.605 1.00 0.00 N ATOM 688 CA PRO A 45 60.386 4.879 14.222 1.00 0.00 C ATOM 689 C PRO A 45 60.745 3.834 13.163 1.00 0.00 C ATOM 690 O PRO A 45 61.171 4.160 12.074 1.00 0.00 O ATOM 691 CB PRO A 45 61.115 4.598 15.529 1.00 0.00 C ATOM 692 CG PRO A 45 60.195 3.747 16.382 1.00 0.00 C ATOM 693 CD PRO A 45 58.765 3.994 15.900 1.00 0.00 C ATOM 0 HA PRO A 45 60.634 5.852 13.798 1.00 0.00 H new ATOM 0 HB2 PRO A 45 62.055 4.079 15.341 1.00 0.00 H new ATOM 0 HB3 PRO A 45 61.361 5.529 16.040 1.00 0.00 H new ATOM 0 HG2 PRO A 45 60.454 2.692 16.291 1.00 0.00 H new ATOM 0 HG3 PRO A 45 60.296 4.010 17.435 1.00 0.00 H new ATOM 0 HD2 PRO A 45 58.223 3.059 15.759 1.00 0.00 H new ATOM 0 HD3 PRO A 45 58.197 4.587 16.617 1.00 0.00 H new ATOM 701 N ARG A 46 60.556 2.580 13.465 1.00 0.00 N ATOM 702 CA ARG A 46 60.866 1.527 12.462 1.00 0.00 C ATOM 703 C ARG A 46 60.199 1.910 11.138 1.00 0.00 C ATOM 704 O ARG A 46 60.623 1.512 10.073 1.00 0.00 O ATOM 705 CB ARG A 46 60.337 0.171 12.965 1.00 0.00 C ATOM 706 CG ARG A 46 58.861 -0.026 12.582 1.00 0.00 C ATOM 707 CD ARG A 46 57.976 0.945 13.371 1.00 0.00 C ATOM 708 NE ARG A 46 57.500 0.284 14.619 1.00 0.00 N ATOM 709 CZ ARG A 46 58.341 0.030 15.584 1.00 0.00 C ATOM 710 NH1 ARG A 46 59.181 -0.964 15.473 1.00 0.00 N ATOM 711 NH2 ARG A 46 58.342 0.767 16.660 1.00 0.00 N ATOM 0 H ARG A 46 60.202 2.241 14.359 1.00 0.00 H new ATOM 0 HA ARG A 46 61.942 1.442 12.313 1.00 0.00 H new ATOM 0 HB2 ARG A 46 60.936 -0.636 12.542 1.00 0.00 H new ATOM 0 HB3 ARG A 46 60.445 0.114 14.048 1.00 0.00 H new ATOM 0 HG2 ARG A 46 58.730 0.138 11.512 1.00 0.00 H new ATOM 0 HG3 ARG A 46 58.559 -1.053 12.786 1.00 0.00 H new ATOM 0 HD2 ARG A 46 58.537 1.847 13.616 1.00 0.00 H new ATOM 0 HD3 ARG A 46 57.125 1.254 12.763 1.00 0.00 H new ATOM 0 HE ARG A 46 56.517 0.030 14.719 1.00 0.00 H new ATOM 0 HH11 ARG A 46 59.180 -1.541 14.632 1.00 0.00 H new ATOM 0 HH12 ARG A 46 59.838 -1.163 16.227 1.00 0.00 H new ATOM 0 HH21 ARG A 46 57.685 1.542 16.748 1.00 0.00 H new ATOM 0 HH22 ARG A 46 59.000 0.568 17.414 1.00 0.00 H new ATOM 725 N CYS A 47 59.150 2.684 11.212 1.00 0.00 N ATOM 726 CA CYS A 47 58.427 3.110 9.979 1.00 0.00 C ATOM 727 C CYS A 47 59.293 4.053 9.150 1.00 0.00 C ATOM 728 O CYS A 47 59.499 3.844 7.979 1.00 0.00 O ATOM 729 CB CYS A 47 57.148 3.846 10.381 1.00 0.00 C ATOM 730 SG CYS A 47 55.706 2.972 9.722 1.00 0.00 S ATOM 0 H CYS A 47 58.759 3.043 12.083 1.00 0.00 H new ATOM 0 HA CYS A 47 58.192 2.226 9.386 1.00 0.00 H new ATOM 0 HB2 CYS A 47 57.081 3.911 11.467 1.00 0.00 H new ATOM 0 HB3 CYS A 47 57.171 4.868 10.001 1.00 0.00 H new ATOM 735 N ILE A 48 59.775 5.106 9.739 1.00 0.00 N ATOM 736 CA ILE A 48 60.599 6.080 8.965 1.00 0.00 C ATOM 737 C ILE A 48 61.479 5.353 7.936 1.00 0.00 C ATOM 738 O ILE A 48 61.330 5.532 6.740 1.00 0.00 O ATOM 739 CB ILE A 48 61.508 6.882 9.907 1.00 0.00 C ATOM 740 CG1 ILE A 48 60.824 7.108 11.259 1.00 0.00 C ATOM 741 CG2 ILE A 48 61.810 8.237 9.272 1.00 0.00 C ATOM 742 CD1 ILE A 48 59.431 7.697 11.046 1.00 0.00 C ATOM 0 H ILE A 48 59.637 5.338 10.722 1.00 0.00 H new ATOM 0 HA ILE A 48 59.915 6.754 8.448 1.00 0.00 H new ATOM 0 HB ILE A 48 62.428 6.321 10.068 1.00 0.00 H new ATOM 0 HG12 ILE A 48 60.750 6.165 11.801 1.00 0.00 H new ATOM 0 HG13 ILE A 48 61.423 7.782 11.871 1.00 0.00 H new ATOM 0 HG21 ILE A 48 62.455 8.814 9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 48 62.312 8.087 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 48 60.878 8.779 9.111 1.00 0.00 H new ATOM 0 HD11 ILE A 48 58.951 7.855 12.012 1.00 0.00 H new ATOM 0 HD12 ILE A 48 59.515 8.649 10.523 1.00 0.00 H new ATOM 0 HD13 ILE A 48 58.832 7.008 10.451 1.00 0.00 H new ATOM 754 N LYS A 49 62.403 4.549 8.391 1.00 0.00 N ATOM 755 CA LYS A 49 63.315 3.840 7.447 1.00 0.00 C ATOM 756 C LYS A 49 62.670 2.578 6.873 1.00 0.00 C ATOM 757 O LYS A 49 63.064 2.107 5.824 1.00 0.00 O ATOM 758 CB LYS A 49 64.598 3.457 8.186 1.00 0.00 C ATOM 759 CG LYS A 49 65.808 3.768 7.304 1.00 0.00 C ATOM 760 CD LYS A 49 66.475 5.057 7.788 1.00 0.00 C ATOM 761 CE LYS A 49 67.495 4.726 8.878 1.00 0.00 C ATOM 762 NZ LYS A 49 68.286 5.946 9.205 1.00 0.00 N ATOM 0 H LYS A 49 62.566 4.352 9.379 1.00 0.00 H new ATOM 0 HA LYS A 49 63.533 4.513 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 49 64.668 4.007 9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 49 64.582 2.397 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 49 66.519 2.943 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 49 65.496 3.875 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 49 66.967 5.559 6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 49 65.723 5.745 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 49 66.985 4.360 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 49 68.158 3.929 8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 68.980 5.721 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 68.784 6.276 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 67.647 6.693 9.544 1.00 0.00 H new ATOM 776 N ALA A 50 61.681 2.019 7.518 1.00 0.00 N ATOM 777 CA ALA A 50 61.063 0.803 6.949 1.00 0.00 C ATOM 778 C ALA A 50 60.263 1.230 5.741 1.00 0.00 C ATOM 779 O ALA A 50 60.542 0.848 4.625 1.00 0.00 O ATOM 780 CB ALA A 50 60.141 0.147 7.975 1.00 0.00 C ATOM 0 H ALA A 50 61.285 2.350 8.398 1.00 0.00 H new ATOM 0 HA ALA A 50 61.829 0.079 6.674 1.00 0.00 H new ATOM 0 HB1 ALA A 50 59.693 -0.747 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 50 60.717 -0.127 8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 50 59.354 0.847 8.257 1.00 0.00 H new ATOM 786 N PHE A 51 59.272 2.036 5.959 1.00 0.00 N ATOM 787 CA PHE A 51 58.459 2.511 4.832 1.00 0.00 C ATOM 788 C PHE A 51 59.342 3.281 3.862 1.00 0.00 C ATOM 789 O PHE A 51 59.297 3.068 2.678 1.00 0.00 O ATOM 790 CB PHE A 51 57.322 3.417 5.335 1.00 0.00 C ATOM 791 CG PHE A 51 57.721 4.884 5.279 1.00 0.00 C ATOM 792 CD1 PHE A 51 57.795 5.554 4.049 1.00 0.00 C ATOM 793 CD2 PHE A 51 58.023 5.567 6.456 1.00 0.00 C ATOM 794 CE1 PHE A 51 58.171 6.903 4.012 1.00 0.00 C ATOM 795 CE2 PHE A 51 58.397 6.910 6.414 1.00 0.00 C ATOM 796 CZ PHE A 51 58.472 7.577 5.198 1.00 0.00 C ATOM 0 H PHE A 51 58.993 2.385 6.876 1.00 0.00 H new ATOM 0 HA PHE A 51 58.020 1.653 4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 51 56.431 3.257 4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 51 57.064 3.147 6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 51 57.563 5.031 3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 51 57.967 5.054 7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 51 58.228 7.422 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 51 58.629 7.433 7.330 1.00 0.00 H new ATOM 0 HZ PHE A 51 58.763 8.617 5.169 1.00 0.00 H new ATOM 806 N THR A 52 60.118 4.209 4.353 1.00 0.00 N ATOM 807 CA THR A 52 60.966 5.003 3.431 1.00 0.00 C ATOM 808 C THR A 52 61.793 4.056 2.554 1.00 0.00 C ATOM 809 O THR A 52 61.940 4.254 1.368 1.00 0.00 O ATOM 810 CB THR A 52 61.909 5.898 4.238 1.00 0.00 C ATOM 811 OG1 THR A 52 61.156 6.918 4.881 1.00 0.00 O ATOM 812 CG2 THR A 52 62.935 6.534 3.300 1.00 0.00 C ATOM 0 H THR A 52 60.199 4.447 5.342 1.00 0.00 H new ATOM 0 HA THR A 52 60.328 5.623 2.801 1.00 0.00 H new ATOM 0 HB THR A 52 62.426 5.300 4.988 1.00 0.00 H new ATOM 0 HG1 THR A 52 60.199 6.728 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 52 63.607 7.172 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 52 63.511 5.751 2.806 1.00 0.00 H new ATOM 0 HG23 THR A 52 62.420 7.133 2.549 1.00 0.00 H new ATOM 820 N GLU A 53 62.341 3.036 3.149 1.00 0.00 N ATOM 821 CA GLU A 53 63.184 2.059 2.403 1.00 0.00 C ATOM 822 C GLU A 53 62.365 1.292 1.361 1.00 0.00 C ATOM 823 O GLU A 53 62.798 1.108 0.245 1.00 0.00 O ATOM 824 CB GLU A 53 63.773 1.069 3.399 1.00 0.00 C ATOM 825 CG GLU A 53 64.513 -0.042 2.651 1.00 0.00 C ATOM 826 CD GLU A 53 65.538 0.578 1.700 1.00 0.00 C ATOM 827 OE1 GLU A 53 66.210 1.511 2.111 1.00 0.00 O ATOM 828 OE2 GLU A 53 65.635 0.110 0.578 1.00 0.00 O ATOM 0 H GLU A 53 62.238 2.833 4.143 1.00 0.00 H new ATOM 0 HA GLU A 53 63.970 2.605 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 53 64.457 1.583 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.980 0.641 4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 53 65.012 -0.702 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 53 63.804 -0.652 2.091 1.00 0.00 H new ATOM 835 N CYS A 54 61.200 0.823 1.711 1.00 0.00 N ATOM 836 CA CYS A 54 60.389 0.056 0.722 1.00 0.00 C ATOM 837 C CYS A 54 59.775 1.017 -0.291 1.00 0.00 C ATOM 838 O CYS A 54 59.440 0.639 -1.398 1.00 0.00 O ATOM 839 CB CYS A 54 59.278 -0.707 1.441 1.00 0.00 C ATOM 840 SG CYS A 54 59.937 -2.270 2.069 1.00 0.00 S ATOM 0 H CYS A 54 60.776 0.936 2.632 1.00 0.00 H new ATOM 0 HA CYS A 54 61.034 -0.654 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 54 58.883 -0.109 2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 54 58.450 -0.896 0.758 1.00 0.00 H new ATOM 845 N CYS A 55 59.633 2.260 0.068 1.00 0.00 N ATOM 846 CA CYS A 55 59.051 3.240 -0.884 1.00 0.00 C ATOM 847 C CYS A 55 60.169 3.742 -1.798 1.00 0.00 C ATOM 848 O CYS A 55 59.932 4.142 -2.917 1.00 0.00 O ATOM 849 CB CYS A 55 58.380 4.393 -0.098 1.00 0.00 C ATOM 850 SG CYS A 55 59.398 5.897 -0.075 1.00 0.00 S ATOM 0 H CYS A 55 59.895 2.639 0.978 1.00 0.00 H new ATOM 0 HA CYS A 55 58.280 2.778 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 55 57.412 4.619 -0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 55 58.191 4.070 0.926 1.00 0.00 H new ATOM 855 N VAL A 56 61.389 3.696 -1.330 1.00 0.00 N ATOM 856 CA VAL A 56 62.528 4.148 -2.172 1.00 0.00 C ATOM 857 C VAL A 56 62.880 3.029 -3.131 1.00 0.00 C ATOM 858 O VAL A 56 63.038 3.235 -4.314 1.00 0.00 O ATOM 859 CB VAL A 56 63.742 4.440 -1.292 1.00 0.00 C ATOM 860 CG1 VAL A 56 64.900 4.897 -2.178 1.00 0.00 C ATOM 861 CG2 VAL A 56 63.402 5.526 -0.268 1.00 0.00 C ATOM 0 H VAL A 56 61.643 3.364 -0.400 1.00 0.00 H new ATOM 0 HA VAL A 56 62.251 5.053 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 56 64.028 3.537 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 56 65.771 5.108 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 56 65.144 4.110 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 56 64.612 5.799 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 56 64.275 5.726 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 56 63.111 6.438 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 56 62.578 5.188 0.361 1.00 0.00 H new ATOM 871 N VAL A 57 62.966 1.833 -2.633 1.00 0.00 N ATOM 872 CA VAL A 57 63.259 0.698 -3.521 1.00 0.00 C ATOM 873 C VAL A 57 62.062 0.587 -4.437 1.00 0.00 C ATOM 874 O VAL A 57 62.177 0.445 -5.638 1.00 0.00 O ATOM 875 CB VAL A 57 63.412 -0.573 -2.697 1.00 0.00 C ATOM 876 CG1 VAL A 57 64.575 -0.404 -1.719 1.00 0.00 C ATOM 877 CG2 VAL A 57 62.126 -0.830 -1.910 1.00 0.00 C ATOM 0 H VAL A 57 62.845 1.598 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 57 64.184 0.840 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 57 63.608 -1.415 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 57 64.688 -1.312 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 57 65.494 -0.217 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 57 64.374 0.438 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 57 62.236 -1.740 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.932 0.012 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.292 -0.945 -2.603 1.00 0.00 H new ATOM 887 N ALA A 58 60.901 0.718 -3.863 1.00 0.00 N ATOM 888 CA ALA A 58 59.672 0.696 -4.675 1.00 0.00 C ATOM 889 C ALA A 58 59.744 1.893 -5.606 1.00 0.00 C ATOM 890 O ALA A 58 59.179 1.907 -6.678 1.00 0.00 O ATOM 891 CB ALA A 58 58.457 0.849 -3.765 1.00 0.00 C ATOM 0 H ALA A 58 60.757 0.840 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 58 59.584 -0.239 -5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 58 57.548 0.833 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 58 58.433 0.028 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 58 58.521 1.796 -3.229 1.00 0.00 H new ATOM 897 N SER A 59 60.451 2.902 -5.175 1.00 0.00 N ATOM 898 CA SER A 59 60.602 4.133 -5.987 1.00 0.00 C ATOM 899 C SER A 59 61.295 3.786 -7.302 1.00 0.00 C ATOM 900 O SER A 59 60.774 4.011 -8.374 1.00 0.00 O ATOM 901 CB SER A 59 61.449 5.131 -5.216 1.00 0.00 C ATOM 902 OG SER A 59 61.106 6.452 -5.616 1.00 0.00 O ATOM 0 H SER A 59 60.937 2.921 -4.278 1.00 0.00 H new ATOM 0 HA SER A 59 59.623 4.564 -6.196 1.00 0.00 H new ATOM 0 HB2 SER A 59 61.288 5.010 -4.145 1.00 0.00 H new ATOM 0 HB3 SER A 59 62.507 4.946 -5.402 1.00 0.00 H new ATOM 0 HG SER A 59 61.651 7.097 -5.118 1.00 0.00 H new ATOM 908 N GLN A 60 62.470 3.232 -7.214 1.00 0.00 N ATOM 909 CA GLN A 60 63.224 2.850 -8.436 1.00 0.00 C ATOM 910 C GLN A 60 62.438 1.800 -9.208 1.00 0.00 C ATOM 911 O GLN A 60 62.485 1.731 -10.419 1.00 0.00 O ATOM 912 CB GLN A 60 64.560 2.252 -8.019 1.00 0.00 C ATOM 913 CG GLN A 60 65.687 3.175 -8.472 1.00 0.00 C ATOM 914 CD GLN A 60 66.901 2.985 -7.561 1.00 0.00 C ATOM 915 OE1 GLN A 60 67.987 2.703 -8.029 1.00 0.00 O ATOM 916 NE2 GLN A 60 66.764 3.129 -6.272 1.00 0.00 N ATOM 0 H GLN A 60 62.945 3.025 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 60 63.379 3.728 -9.063 1.00 0.00 H new ATOM 0 HB2 GLN A 60 64.592 2.123 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 60 64.683 1.264 -8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 60 65.957 2.957 -9.505 1.00 0.00 H new ATOM 0 HG3 GLN A 60 65.355 4.213 -8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 60 65.853 3.366 -5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 60 67.568 3.005 -5.657 1.00 0.00 H new ATOM 925 N LEU A 61 61.714 0.984 -8.506 1.00 0.00 N ATOM 926 CA LEU A 61 60.915 -0.065 -9.170 1.00 0.00 C ATOM 927 C LEU A 61 59.783 0.621 -9.924 1.00 0.00 C ATOM 928 O LEU A 61 59.304 0.141 -10.932 1.00 0.00 O ATOM 929 CB LEU A 61 60.342 -0.990 -8.096 1.00 0.00 C ATOM 930 CG LEU A 61 61.435 -1.895 -7.535 1.00 0.00 C ATOM 931 CD1 LEU A 61 60.793 -3.035 -6.734 1.00 0.00 C ATOM 932 CD2 LEU A 61 62.267 -2.480 -8.678 1.00 0.00 C ATOM 0 H LEU A 61 61.643 1.001 -7.489 1.00 0.00 H new ATOM 0 HA LEU A 61 61.522 -0.650 -9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 61 59.904 -0.398 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 61 59.541 -1.596 -8.519 1.00 0.00 H new ATOM 0 HG LEU A 61 62.084 -1.310 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 61 61.573 -3.682 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 61 60.209 -2.619 -5.913 1.00 0.00 H new ATOM 0 HD13 LEU A 61 60.140 -3.615 -7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 61 63.045 -3.125 -8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 61 61.622 -3.062 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 61 62.727 -1.670 -9.244 1.00 0.00 H new ATOM 944 N ARG A 62 59.354 1.752 -9.434 1.00 0.00 N ATOM 945 CA ARG A 62 58.254 2.483 -10.108 1.00 0.00 C ATOM 946 C ARG A 62 58.813 3.642 -10.947 1.00 0.00 C ATOM 947 O ARG A 62 58.075 4.322 -11.633 1.00 0.00 O ATOM 948 CB ARG A 62 57.280 3.027 -9.058 1.00 0.00 C ATOM 949 CG ARG A 62 57.957 4.140 -8.258 1.00 0.00 C ATOM 950 CD ARG A 62 56.899 4.949 -7.499 1.00 0.00 C ATOM 951 NE ARG A 62 56.386 4.157 -6.340 1.00 0.00 N ATOM 952 CZ ARG A 62 55.128 3.822 -6.286 1.00 0.00 C ATOM 953 NH1 ARG A 62 54.205 4.710 -6.539 1.00 0.00 N ATOM 954 NH2 ARG A 62 54.789 2.601 -5.976 1.00 0.00 N ATOM 0 H ARG A 62 59.721 2.199 -8.594 1.00 0.00 H new ATOM 0 HA ARG A 62 57.729 1.795 -10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 62 56.382 3.409 -9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 62 56.965 2.225 -8.390 1.00 0.00 H new ATOM 0 HG2 ARG A 62 58.674 3.712 -7.557 1.00 0.00 H new ATOM 0 HG3 ARG A 62 58.517 4.793 -8.927 1.00 0.00 H new ATOM 0 HD2 ARG A 62 57.329 5.887 -7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 62 56.077 5.206 -8.167 1.00 0.00 H new ATOM 0 HE ARG A 62 57.021 3.879 -5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 62 54.469 5.666 -6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 62 53.220 4.448 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 62 55.509 1.907 -5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 62 53.804 2.340 -5.934 1.00 0.00 H new ATOM 968 N ALA A 63 60.100 3.888 -10.901 1.00 0.00 N ATOM 969 CA ALA A 63 60.662 5.014 -11.699 1.00 0.00 C ATOM 970 C ALA A 63 61.273 4.481 -12.999 1.00 0.00 C ATOM 971 O ALA A 63 60.597 4.337 -13.999 1.00 0.00 O ATOM 972 CB ALA A 63 61.742 5.725 -10.881 1.00 0.00 C ATOM 0 H ALA A 63 60.778 3.361 -10.350 1.00 0.00 H new ATOM 0 HA ALA A 63 59.864 5.715 -11.942 1.00 0.00 H new ATOM 0 HB1 ALA A 63 62.155 6.549 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 63 61.305 6.113 -9.961 1.00 0.00 H new ATOM 0 HB3 ALA A 63 62.536 5.020 -10.636 1.00 0.00 H new ATOM 978 N ASN A 64 62.547 4.197 -12.996 1.00 0.00 N ATOM 979 CA ASN A 64 63.203 3.684 -14.232 1.00 0.00 C ATOM 980 C ASN A 64 62.405 2.509 -14.801 1.00 0.00 C ATOM 981 O ASN A 64 62.060 2.485 -15.965 1.00 0.00 O ATOM 982 CB ASN A 64 64.620 3.214 -13.897 1.00 0.00 C ATOM 983 CG ASN A 64 65.548 4.423 -13.785 1.00 0.00 C ATOM 984 OD1 ASN A 64 65.136 5.544 -14.010 1.00 0.00 O ATOM 985 ND2 ASN A 64 66.795 4.242 -13.445 1.00 0.00 N ATOM 0 H ASN A 64 63.163 4.298 -12.189 1.00 0.00 H new ATOM 0 HA ASN A 64 63.242 4.483 -14.972 1.00 0.00 H new ATOM 0 HB2 ASN A 64 64.617 2.657 -12.960 1.00 0.00 H new ATOM 0 HB3 ASN A 64 64.981 2.536 -14.670 1.00 0.00 H new ATOM 0 HD21 ASN A 64 67.424 5.041 -13.368 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.141 3.301 -13.256 1.00 0.00 H new ATOM 992 N ILE A 65 62.117 1.529 -13.991 1.00 0.00 N ATOM 993 CA ILE A 65 61.352 0.350 -14.490 1.00 0.00 C ATOM 994 C ILE A 65 59.912 0.766 -14.809 1.00 0.00 C ATOM 995 O ILE A 65 59.505 1.879 -14.540 1.00 0.00 O ATOM 996 CB ILE A 65 61.352 -0.746 -13.422 1.00 0.00 C ATOM 997 CG1 ILE A 65 62.776 -0.933 -12.884 1.00 0.00 C ATOM 998 CG2 ILE A 65 60.866 -2.058 -14.040 1.00 0.00 C ATOM 999 CD1 ILE A 65 62.805 -2.110 -11.908 1.00 0.00 C ATOM 0 H ILE A 65 62.378 1.492 -13.006 1.00 0.00 H new ATOM 0 HA ILE A 65 61.822 -0.031 -15.397 1.00 0.00 H new ATOM 0 HB ILE A 65 60.689 -0.460 -12.606 1.00 0.00 H new ATOM 0 HG12 ILE A 65 63.466 -1.114 -13.708 1.00 0.00 H new ATOM 0 HG13 ILE A 65 63.109 -0.024 -12.383 1.00 0.00 H new ATOM 0 HG21 ILE A 65 60.865 -2.840 -13.280 1.00 0.00 H new ATOM 0 HG22 ILE A 65 59.855 -1.926 -14.426 1.00 0.00 H new ATOM 0 HG23 ILE A 65 61.531 -2.344 -14.855 1.00 0.00 H new ATOM 0 HD11 ILE A 65 63.818 -2.242 -11.527 1.00 0.00 H new ATOM 0 HD12 ILE A 65 62.128 -1.911 -11.078 1.00 0.00 H new ATOM 0 HD13 ILE A 65 62.491 -3.018 -12.423 1.00 0.00 H new ATOM 1011 N SER A 66 59.140 -0.117 -15.387 1.00 0.00 N ATOM 1012 CA SER A 66 57.731 0.235 -15.729 1.00 0.00 C ATOM 1013 C SER A 66 57.042 -0.976 -16.367 1.00 0.00 C ATOM 1014 O SER A 66 56.206 -0.840 -17.238 1.00 0.00 O ATOM 1015 CB SER A 66 57.727 1.400 -16.717 1.00 0.00 C ATOM 1016 OG SER A 66 56.824 2.399 -16.263 1.00 0.00 O ATOM 0 H SER A 66 59.424 -1.064 -15.636 1.00 0.00 H new ATOM 0 HA SER A 66 57.196 0.521 -14.823 1.00 0.00 H new ATOM 0 HB2 SER A 66 58.730 1.816 -16.810 1.00 0.00 H new ATOM 0 HB3 SER A 66 57.433 1.051 -17.707 1.00 0.00 H new ATOM 0 HG SER A 66 56.821 3.148 -16.894 1.00 0.00 H new ATOM 1022 N HIS A 67 57.387 -2.159 -15.939 1.00 0.00 N ATOM 1023 CA HIS A 67 56.756 -3.381 -16.516 1.00 0.00 C ATOM 1024 C HIS A 67 56.562 -4.413 -15.408 1.00 0.00 C ATOM 1025 O HIS A 67 56.488 -4.073 -14.249 1.00 0.00 O ATOM 1026 CB HIS A 67 57.671 -3.960 -17.591 1.00 0.00 C ATOM 1027 CG HIS A 67 56.897 -4.148 -18.868 1.00 0.00 C ATOM 1028 ND1 HIS A 67 57.478 -4.666 -20.015 1.00 0.00 N ATOM 1029 CD2 HIS A 67 55.587 -3.895 -19.193 1.00 0.00 C ATOM 1030 CE1 HIS A 67 56.528 -4.708 -20.967 1.00 0.00 C ATOM 1031 NE2 HIS A 67 55.357 -4.250 -20.519 1.00 0.00 N ATOM 0 H HIS A 67 58.081 -2.333 -15.212 1.00 0.00 H new ATOM 0 HA HIS A 67 55.792 -3.127 -16.956 1.00 0.00 H new ATOM 0 HB2 HIS A 67 58.516 -3.293 -17.761 1.00 0.00 H new ATOM 0 HB3 HIS A 67 58.080 -4.914 -17.259 1.00 0.00 H new ATOM 0 HD2 HIS A 67 54.848 -3.483 -18.522 1.00 0.00 H new ATOM 0 HE1 HIS A 67 56.693 -5.069 -21.972 1.00 0.00 H new ATOM 0 HE2 HIS A 67 54.482 -4.176 -21.037 1.00 0.00 H new ATOM 1039 N LYS A 68 56.485 -5.672 -15.750 1.00 0.00 N ATOM 1040 CA LYS A 68 56.302 -6.717 -14.700 1.00 0.00 C ATOM 1041 C LYS A 68 57.139 -6.348 -13.471 1.00 0.00 C ATOM 1042 O LYS A 68 56.680 -6.401 -12.351 1.00 0.00 O ATOM 1043 CB LYS A 68 56.760 -8.073 -15.244 1.00 0.00 C ATOM 1044 CG LYS A 68 55.753 -8.573 -16.283 1.00 0.00 C ATOM 1045 CD LYS A 68 56.007 -10.055 -16.572 1.00 0.00 C ATOM 1046 CE LYS A 68 54.712 -10.843 -16.369 1.00 0.00 C ATOM 1047 NZ LYS A 68 54.099 -11.139 -17.696 1.00 0.00 N ATOM 0 H LYS A 68 56.541 -6.021 -16.707 1.00 0.00 H new ATOM 0 HA LYS A 68 55.250 -6.777 -14.421 1.00 0.00 H new ATOM 0 HB2 LYS A 68 57.748 -7.981 -15.695 1.00 0.00 H new ATOM 0 HB3 LYS A 68 56.847 -8.793 -14.430 1.00 0.00 H new ATOM 0 HG2 LYS A 68 54.736 -8.433 -15.916 1.00 0.00 H new ATOM 0 HG3 LYS A 68 55.843 -7.992 -17.201 1.00 0.00 H new ATOM 0 HD2 LYS A 68 56.366 -10.181 -17.594 1.00 0.00 H new ATOM 0 HD3 LYS A 68 56.785 -10.437 -15.911 1.00 0.00 H new ATOM 0 HE2 LYS A 68 54.918 -11.771 -15.836 1.00 0.00 H new ATOM 0 HE3 LYS A 68 54.017 -10.270 -15.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 53.218 -11.675 -17.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 53.889 -10.247 -18.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 54.762 -11.702 -18.267 1.00 0.00 H new ATOM 1061 N ASP A 69 58.355 -5.934 -13.683 1.00 0.00 N ATOM 1062 CA ASP A 69 59.213 -5.534 -12.554 1.00 0.00 C ATOM 1063 C ASP A 69 58.585 -4.323 -11.898 1.00 0.00 C ATOM 1064 O ASP A 69 58.411 -4.298 -10.714 1.00 0.00 O ATOM 1065 CB ASP A 69 60.609 -5.177 -13.066 1.00 0.00 C ATOM 1066 CG ASP A 69 61.552 -6.363 -12.849 1.00 0.00 C ATOM 1067 OD1 ASP A 69 61.314 -7.121 -11.924 1.00 0.00 O ATOM 1068 OD2 ASP A 69 62.496 -6.490 -13.612 1.00 0.00 O ATOM 0 H ASP A 69 58.789 -5.858 -14.603 1.00 0.00 H new ATOM 0 HA ASP A 69 59.303 -6.351 -11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 69 60.565 -4.923 -14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 69 60.986 -4.298 -12.542 1.00 0.00 H new ATOM 1073 N MET A 70 58.229 -3.326 -12.668 1.00 0.00 N ATOM 1074 CA MET A 70 57.593 -2.112 -12.080 1.00 0.00 C ATOM 1075 C MET A 70 56.125 -2.408 -11.759 1.00 0.00 C ATOM 1076 O MET A 70 55.751 -2.539 -10.611 1.00 0.00 O ATOM 1077 CB MET A 70 57.673 -0.955 -13.078 1.00 0.00 C ATOM 1078 CG MET A 70 57.078 0.301 -12.444 1.00 0.00 C ATOM 1079 SD MET A 70 55.381 0.526 -13.030 1.00 0.00 S ATOM 1080 CE MET A 70 55.208 2.262 -12.555 1.00 0.00 C ATOM 0 H MET A 70 58.352 -3.302 -13.680 1.00 0.00 H new ATOM 0 HA MET A 70 58.118 -1.837 -11.165 1.00 0.00 H new ATOM 0 HB2 MET A 70 58.710 -0.776 -13.363 1.00 0.00 H new ATOM 0 HB3 MET A 70 57.131 -1.208 -13.989 1.00 0.00 H new ATOM 0 HG2 MET A 70 57.090 0.214 -11.358 1.00 0.00 H new ATOM 0 HG3 MET A 70 57.681 1.172 -12.701 1.00 0.00 H new ATOM 0 HE1 MET A 70 54.214 2.617 -12.829 1.00 0.00 H new ATOM 0 HE2 MET A 70 55.345 2.360 -11.478 1.00 0.00 H new ATOM 0 HE3 MET A 70 55.961 2.857 -13.072 1.00 0.00 H new ATOM 1090 N GLN A 71 55.289 -2.511 -12.762 1.00 0.00 N ATOM 1091 CA GLN A 71 53.845 -2.803 -12.512 1.00 0.00 C ATOM 1092 C GLN A 71 53.711 -3.801 -11.356 1.00 0.00 C ATOM 1093 O GLN A 71 52.789 -3.730 -10.569 1.00 0.00 O ATOM 1094 CB GLN A 71 53.216 -3.400 -13.774 1.00 0.00 C ATOM 1095 CG GLN A 71 51.731 -3.674 -13.525 1.00 0.00 C ATOM 1096 CD GLN A 71 50.942 -2.366 -13.623 1.00 0.00 C ATOM 1097 OE1 GLN A 71 51.148 -1.587 -14.533 1.00 0.00 O ATOM 1098 NE2 GLN A 71 50.041 -2.092 -12.720 1.00 0.00 N ATOM 0 H GLN A 71 55.545 -2.405 -13.744 1.00 0.00 H new ATOM 0 HA GLN A 71 53.332 -1.877 -12.252 1.00 0.00 H new ATOM 0 HB2 GLN A 71 53.334 -2.713 -14.612 1.00 0.00 H new ATOM 0 HB3 GLN A 71 53.727 -4.324 -14.045 1.00 0.00 H new ATOM 0 HG2 GLN A 71 51.356 -4.392 -14.255 1.00 0.00 H new ATOM 0 HG3 GLN A 71 51.594 -4.120 -12.540 1.00 0.00 H new ATOM 0 HE21 GLN A 71 49.869 -2.746 -11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 71 49.509 -1.224 -12.777 1.00 0.00 H new ATOM 1107 N LEU A 72 54.629 -4.727 -11.237 1.00 0.00 N ATOM 1108 CA LEU A 72 54.550 -5.713 -10.122 1.00 0.00 C ATOM 1109 C LEU A 72 55.662 -5.423 -9.118 1.00 0.00 C ATOM 1110 O LEU A 72 55.420 -4.898 -8.050 1.00 0.00 O ATOM 1111 CB LEU A 72 54.703 -7.128 -10.685 1.00 0.00 C ATOM 1112 CG LEU A 72 53.412 -7.894 -10.456 1.00 0.00 C ATOM 1113 CD1 LEU A 72 52.294 -7.156 -11.177 1.00 0.00 C ATOM 1114 CD2 LEU A 72 53.537 -9.309 -11.025 1.00 0.00 C ATOM 0 H LEU A 72 55.426 -4.841 -11.863 1.00 0.00 H new ATOM 0 HA LEU A 72 53.585 -5.633 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 72 54.932 -7.087 -11.750 1.00 0.00 H new ATOM 0 HB3 LEU A 72 55.535 -7.638 -10.199 1.00 0.00 H new ATOM 0 HG LEU A 72 53.201 -7.963 -9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 72 51.353 -7.686 -11.029 1.00 0.00 H new ATOM 0 HD12 LEU A 72 52.208 -6.146 -10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 72 52.519 -7.107 -12.242 1.00 0.00 H new ATOM 0 HD21 LEU A 72 52.607 -9.852 -10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 72 53.737 -9.254 -12.095 1.00 0.00 H new ATOM 0 HD23 LEU A 72 54.356 -9.830 -10.529 1.00 0.00 H new ATOM 1126 N GLY A 73 56.874 -5.760 -9.454 1.00 0.00 N ATOM 1127 CA GLY A 73 58.018 -5.507 -8.530 1.00 0.00 C ATOM 1128 C GLY A 73 57.817 -4.163 -7.832 1.00 0.00 C ATOM 1129 O GLY A 73 57.981 -4.052 -6.634 1.00 0.00 O ATOM 0 H GLY A 73 57.126 -6.204 -10.337 1.00 0.00 H new ATOM 0 HA2 GLY A 73 58.088 -6.306 -7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 73 58.956 -5.504 -9.086 1.00 0.00 H new ATOM 1133 N ARG A 74 57.438 -3.155 -8.586 1.00 0.00 N ATOM 1134 CA ARG A 74 57.190 -1.791 -8.011 1.00 0.00 C ATOM 1135 C ARG A 74 57.981 -1.589 -6.716 1.00 0.00 C ATOM 1136 O ARG A 74 57.494 -1.014 -5.762 1.00 0.00 O ATOM 1137 CB ARG A 74 55.693 -1.623 -7.728 1.00 0.00 C ATOM 1138 CG ARG A 74 55.229 -2.666 -6.707 1.00 0.00 C ATOM 1139 CD ARG A 74 55.023 -1.994 -5.349 1.00 0.00 C ATOM 1140 NE ARG A 74 53.601 -2.147 -4.927 1.00 0.00 N ATOM 1141 CZ ARG A 74 52.639 -1.924 -5.782 1.00 0.00 C ATOM 1142 NH1 ARG A 74 52.632 -0.825 -6.484 1.00 0.00 N ATOM 1143 NH2 ARG A 74 51.684 -2.801 -5.932 1.00 0.00 N ATOM 0 H ARG A 74 57.288 -3.222 -9.593 1.00 0.00 H new ATOM 0 HA ARG A 74 57.519 -1.045 -8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 74 55.497 -0.620 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 74 55.126 -1.731 -8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 74 54.300 -3.129 -7.040 1.00 0.00 H new ATOM 0 HG3 ARG A 74 55.969 -3.462 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 74 55.684 -2.441 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 74 55.283 -0.937 -5.411 1.00 0.00 H new ATOM 0 HE ARG A 74 53.380 -2.426 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 74 53.378 -0.139 -6.365 1.00 0.00 H new ATOM 0 HH12 ARG A 74 51.881 -0.651 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 74 51.689 -3.660 -5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 74 50.932 -2.627 -6.599 1.00 0.00 H new