USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 6 LYS NZ :NH3+ 176:sc= 0.989 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 135:sc= 0.86 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.812 (180deg=0.718) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.188 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.16 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= 2.46 (180deg=-0.306) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 1.26 (180deg=0.814) USER MOD Single : A 31 GLN : amide:sc= 0.809 K(o=0.81,f=-0.021) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0.63 (180deg=0.445) USER MOD Single : A 40 GLN : amide:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 41 GLN : amide:sc=-0.00712 X(o=-0.0071,f=-0.0071) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.37 K(o=0.37,f=-8.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.425 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.782 USER MOD Single : A 60 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 62 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 103:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.915 K(o=-0.92,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.343 43.558 -12.346 1.00 0.00 N ATOM 2 CA MET A 1 -5.723 44.446 -11.239 1.00 0.00 C ATOM 3 C MET A 1 -4.415 44.884 -10.463 1.00 0.00 C ATOM 4 O MET A 1 -3.300 44.596 -10.918 1.00 0.00 O ATOM 5 CB MET A 1 -6.815 43.801 -10.328 1.00 0.00 C ATOM 6 CG MET A 1 -6.502 42.333 -9.801 1.00 0.00 C ATOM 7 SD MET A 1 -5.096 42.319 -8.664 1.00 0.00 S ATOM 8 CE MET A 1 -5.285 40.581 -8.173 1.00 0.00 C ATOM 0 H1 MET A 1 -6.194 43.104 -12.735 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.875 44.113 -13.091 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.690 42.828 -11.997 1.00 0.00 H new ATOM 0 HA MET A 1 -6.193 45.349 -11.629 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.971 44.450 -9.466 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.754 43.775 -10.882 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.382 41.931 -9.298 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.293 41.679 -10.647 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.510 40.320 -7.452 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.266 40.436 -7.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.193 39.943 -9.052 1.00 0.00 H new ATOM 18 N GLN A 2 -4.572 45.579 -9.303 1.00 0.00 N ATOM 19 CA GLN A 2 -3.434 45.942 -8.422 1.00 0.00 C ATOM 20 C GLN A 2 -3.601 45.585 -6.935 1.00 0.00 C ATOM 21 O GLN A 2 -4.671 45.671 -6.313 1.00 0.00 O ATOM 22 CB GLN A 2 -3.031 47.421 -8.456 1.00 0.00 C ATOM 23 CG GLN A 2 -4.289 48.367 -8.356 1.00 0.00 C ATOM 24 CD GLN A 2 -3.748 49.783 -8.286 1.00 0.00 C ATOM 25 OE1 GLN A 2 -2.979 50.194 -9.234 1.00 0.00 O ATOM 26 NE2 GLN A 2 -4.196 50.673 -7.405 1.00 0.00 N ATOM 0 H GLN A 2 -5.478 45.898 -8.959 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.656 45.322 -8.868 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.350 47.632 -7.632 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.490 47.630 -9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.941 48.241 -9.221 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.883 48.133 -7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.807 50.375 -6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -3.929 51.654 -7.490 1.00 0.00 H new ATOM 35 N ILE A 3 -2.469 45.094 -6.329 1.00 0.00 N ATOM 36 CA ILE A 3 -2.386 44.725 -4.925 1.00 0.00 C ATOM 37 C ILE A 3 -1.148 45.448 -4.276 1.00 0.00 C ATOM 38 O ILE A 3 -0.340 46.121 -4.947 1.00 0.00 O ATOM 39 CB ILE A 3 -2.226 43.159 -4.741 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.972 42.598 -5.504 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.547 42.462 -5.223 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.788 41.037 -5.275 1.00 0.00 C ATOM 0 H ILE A 3 -1.594 44.953 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.312 45.031 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.058 42.942 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.076 42.799 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.078 43.122 -5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.454 41.383 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.386 42.822 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.720 42.697 -6.273 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.090 40.690 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.657 40.838 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.671 40.510 -5.636 1.00 0.00 H new ATOM 54 N PHE A 4 -1.089 45.422 -2.942 1.00 0.00 N ATOM 55 CA PHE A 4 -0.191 46.302 -2.155 1.00 0.00 C ATOM 56 C PHE A 4 0.670 45.479 -1.239 1.00 0.00 C ATOM 57 O PHE A 4 0.150 44.663 -0.504 1.00 0.00 O ATOM 58 CB PHE A 4 -1.041 47.338 -1.276 1.00 0.00 C ATOM 59 CG PHE A 4 -1.858 48.238 -2.128 1.00 0.00 C ATOM 60 CD1 PHE A 4 -1.308 48.909 -3.204 1.00 0.00 C ATOM 61 CD2 PHE A 4 -3.217 48.470 -1.781 1.00 0.00 C ATOM 62 CE1 PHE A 4 -2.086 49.772 -3.983 1.00 0.00 C ATOM 63 CE2 PHE A 4 -4.014 49.279 -2.567 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.476 49.956 -3.676 1.00 0.00 C ATOM 0 H PHE A 4 -1.656 44.796 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 4 0.437 46.854 -2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.693 46.790 -0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.366 47.933 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.265 48.765 -3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.630 48.010 -0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.641 50.299 -4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.061 49.393 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.095 50.600 -4.283 1.00 0.00 H new ATOM 74 N VAL A 5 2.006 45.750 -1.281 1.00 0.00 N ATOM 75 CA VAL A 5 3.025 45.048 -0.526 1.00 0.00 C ATOM 76 C VAL A 5 3.714 46.018 0.415 1.00 0.00 C ATOM 77 O VAL A 5 4.147 47.059 -0.021 1.00 0.00 O ATOM 78 CB VAL A 5 4.100 44.534 -1.514 1.00 0.00 C ATOM 79 CG1 VAL A 5 5.152 43.676 -0.747 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.380 43.560 -2.517 1.00 0.00 C ATOM 0 H VAL A 5 2.391 46.491 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 5 2.565 44.231 0.030 1.00 0.00 H new ATOM 0 HB VAL A 5 4.581 45.377 -2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.907 43.316 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.629 44.286 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.656 42.826 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.105 43.174 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.938 42.730 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.597 44.100 -3.049 1.00 0.00 H new ATOM 90 N LYS A 6 3.763 45.598 1.697 1.00 0.00 N ATOM 91 CA LYS A 6 4.496 46.322 2.781 1.00 0.00 C ATOM 92 C LYS A 6 5.908 45.762 2.875 1.00 0.00 C ATOM 93 O LYS A 6 6.116 44.549 2.971 1.00 0.00 O ATOM 94 CB LYS A 6 3.836 46.290 4.201 1.00 0.00 C ATOM 95 CG LYS A 6 2.362 46.824 4.252 1.00 0.00 C ATOM 96 CD LYS A 6 2.294 48.408 4.271 1.00 0.00 C ATOM 97 CE LYS A 6 0.780 48.967 4.224 1.00 0.00 C ATOM 98 NZ LYS A 6 0.716 50.419 4.235 1.00 0.00 N ATOM 0 H LYS A 6 3.299 44.749 2.019 1.00 0.00 H new ATOM 0 HA LYS A 6 4.476 47.372 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.849 45.264 4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.446 46.882 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.813 46.450 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.866 46.431 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.786 48.778 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.849 48.802 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.287 48.593 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.227 48.577 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.273 50.724 4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.100 50.777 5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.276 50.797 3.444 1.00 0.00 H new ATOM 112 N THR A 7 6.931 46.685 2.746 1.00 0.00 N ATOM 113 CA THR A 7 8.318 46.284 2.419 1.00 0.00 C ATOM 114 C THR A 7 9.056 45.835 3.673 1.00 0.00 C ATOM 115 O THR A 7 8.436 45.580 4.726 1.00 0.00 O ATOM 116 CB THR A 7 9.171 47.316 1.605 1.00 0.00 C ATOM 117 OG1 THR A 7 9.558 48.404 2.450 1.00 0.00 O ATOM 118 CG2 THR A 7 8.374 47.865 0.336 1.00 0.00 C ATOM 0 H THR A 7 6.804 47.690 2.865 1.00 0.00 H new ATOM 0 HA THR A 7 8.197 45.449 1.729 1.00 0.00 H new ATOM 0 HB THR A 7 10.062 46.803 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.092 49.044 1.935 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.997 48.578 -0.204 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.120 47.034 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.460 48.359 0.666 1.00 0.00 H new ATOM 126 N LEU A 8 10.403 45.629 3.645 1.00 0.00 N ATOM 127 CA LEU A 8 11.139 45.355 4.840 1.00 0.00 C ATOM 128 C LEU A 8 11.182 46.605 5.773 1.00 0.00 C ATOM 129 O LEU A 8 11.510 46.527 6.987 1.00 0.00 O ATOM 130 CB LEU A 8 12.623 44.961 4.396 1.00 0.00 C ATOM 131 CG LEU A 8 12.676 43.782 3.347 1.00 0.00 C ATOM 132 CD1 LEU A 8 14.143 43.428 2.943 1.00 0.00 C ATOM 133 CD2 LEU A 8 12.120 42.461 3.960 1.00 0.00 C ATOM 0 H LEU A 8 10.968 45.654 2.796 1.00 0.00 H new ATOM 0 HA LEU A 8 10.662 44.549 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.111 45.838 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.194 44.676 5.280 1.00 0.00 H new ATOM 0 HG LEU A 8 12.091 44.131 2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.135 42.612 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.619 44.302 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.701 43.122 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.168 41.666 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.718 42.183 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.084 42.609 4.266 1.00 0.00 H new ATOM 145 N THR A 9 10.938 47.813 5.183 1.00 0.00 N ATOM 146 CA THR A 9 10.940 49.056 5.950 1.00 0.00 C ATOM 147 C THR A 9 9.527 49.543 6.478 1.00 0.00 C ATOM 148 O THR A 9 9.402 50.226 7.508 1.00 0.00 O ATOM 149 CB THR A 9 11.458 50.161 5.011 1.00 0.00 C ATOM 150 OG1 THR A 9 12.729 49.818 4.446 1.00 0.00 O ATOM 151 CG2 THR A 9 11.668 51.544 5.716 1.00 0.00 C ATOM 0 H THR A 9 10.742 47.932 4.189 1.00 0.00 H new ATOM 0 HA THR A 9 11.552 48.865 6.832 1.00 0.00 H new ATOM 0 HB THR A 9 10.679 50.245 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.029 50.539 3.854 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.034 52.270 4.990 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.720 51.889 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.396 51.436 6.520 1.00 0.00 H new ATOM 159 N GLY A 10 8.479 49.119 5.823 1.00 0.00 N ATOM 160 CA GLY A 10 6.996 49.386 6.051 1.00 0.00 C ATOM 161 C GLY A 10 6.332 50.117 4.932 1.00 0.00 C ATOM 162 O GLY A 10 5.106 50.326 5.011 1.00 0.00 O ATOM 0 H GLY A 10 8.607 48.506 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.485 48.435 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.878 49.962 6.969 1.00 0.00 H new ATOM 166 N LYS A 11 7.159 50.547 3.903 1.00 0.00 N ATOM 167 CA LYS A 11 6.776 51.399 2.827 1.00 0.00 C ATOM 168 C LYS A 11 5.824 50.589 1.910 1.00 0.00 C ATOM 169 O LYS A 11 5.885 49.366 1.933 1.00 0.00 O ATOM 170 CB LYS A 11 7.979 51.961 1.948 1.00 0.00 C ATOM 171 CG LYS A 11 9.020 52.801 2.821 1.00 0.00 C ATOM 172 CD LYS A 11 8.357 54.062 3.505 1.00 0.00 C ATOM 173 CE LYS A 11 7.654 54.936 2.457 1.00 0.00 C ATOM 174 NZ LYS A 11 6.972 56.093 3.133 1.00 0.00 N ATOM 0 H LYS A 11 8.139 50.268 3.849 1.00 0.00 H new ATOM 0 HA LYS A 11 6.307 52.277 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.496 51.130 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.582 52.591 1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.447 52.157 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.843 53.127 2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.639 53.739 4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.119 54.646 4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.379 55.303 1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.924 54.343 1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.498 56.682 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.268 55.734 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.678 56.665 3.639 1.00 0.00 H new ATOM 188 N THR A 12 4.968 51.226 1.086 1.00 0.00 N ATOM 189 CA THR A 12 3.932 50.461 0.329 1.00 0.00 C ATOM 190 C THR A 12 4.265 50.486 -1.164 1.00 0.00 C ATOM 191 O THR A 12 4.418 51.523 -1.802 1.00 0.00 O ATOM 192 CB THR A 12 2.494 50.922 0.590 1.00 0.00 C ATOM 193 OG1 THR A 12 2.332 51.151 1.969 1.00 0.00 O ATOM 194 CG2 THR A 12 1.479 49.774 0.163 1.00 0.00 C ATOM 0 H THR A 12 4.963 52.233 0.924 1.00 0.00 H new ATOM 0 HA THR A 12 3.966 49.436 0.698 1.00 0.00 H new ATOM 0 HB THR A 12 2.299 51.830 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.858 51.998 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.457 50.104 0.350 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.602 49.556 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.682 48.875 0.744 1.00 0.00 H new ATOM 202 N ILE A 13 4.428 49.286 -1.724 1.00 0.00 N ATOM 203 CA ILE A 13 4.814 49.182 -3.124 1.00 0.00 C ATOM 204 C ILE A 13 3.729 48.374 -3.804 1.00 0.00 C ATOM 205 O ILE A 13 3.199 47.464 -3.191 1.00 0.00 O ATOM 206 CB ILE A 13 6.179 48.530 -3.265 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.316 49.271 -2.500 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.574 48.376 -4.764 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.706 50.677 -3.065 1.00 0.00 C ATOM 0 H ILE A 13 4.302 48.396 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 13 4.906 50.165 -3.587 1.00 0.00 H new ATOM 0 HB ILE A 13 6.075 47.548 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.013 49.389 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.204 48.639 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.555 47.907 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.837 47.755 -5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.607 49.359 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.505 51.104 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.047 50.573 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.837 51.335 -3.035 1.00 0.00 H new ATOM 221 N THR A 14 3.279 48.845 -5.011 1.00 0.00 N ATOM 222 CA THR A 14 2.050 48.425 -5.612 1.00 0.00 C ATOM 223 C THR A 14 2.466 47.552 -6.758 1.00 0.00 C ATOM 224 O THR A 14 3.329 47.957 -7.542 1.00 0.00 O ATOM 225 CB THR A 14 1.323 49.671 -6.180 1.00 0.00 C ATOM 226 OG1 THR A 14 1.148 50.599 -5.120 1.00 0.00 O ATOM 227 CG2 THR A 14 -0.050 49.326 -6.723 1.00 0.00 C ATOM 0 H THR A 14 3.791 49.530 -5.566 1.00 0.00 H new ATOM 0 HA THR A 14 1.390 47.916 -4.909 1.00 0.00 H new ATOM 0 HB THR A 14 1.926 50.077 -6.992 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.380 50.330 -4.573 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.525 50.227 -7.111 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.049 48.594 -7.525 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.663 48.908 -5.924 1.00 0.00 H new ATOM 235 N LEU A 15 1.938 46.318 -6.824 1.00 0.00 N ATOM 236 CA LEU A 15 2.298 45.408 -7.882 1.00 0.00 C ATOM 237 C LEU A 15 1.004 45.094 -8.671 1.00 0.00 C ATOM 238 O LEU A 15 -0.061 44.888 -8.106 1.00 0.00 O ATOM 239 CB LEU A 15 2.915 44.166 -7.288 1.00 0.00 C ATOM 240 CG LEU A 15 4.145 44.406 -6.309 1.00 0.00 C ATOM 241 CD1 LEU A 15 4.688 43.051 -5.772 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.371 45.214 -6.800 1.00 0.00 C ATOM 0 H LEU A 15 1.266 45.946 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 15 3.037 45.839 -8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.142 43.623 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.244 43.521 -8.103 1.00 0.00 H new ATOM 0 HG LEU A 15 3.676 45.044 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.529 43.235 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.899 42.533 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.017 42.434 -6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.110 45.276 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.812 44.717 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.056 46.219 -7.081 1.00 0.00 H new ATOM 254 N GLU A 16 1.102 45.132 -9.999 1.00 0.00 N ATOM 255 CA GLU A 16 -0.042 45.017 -10.849 1.00 0.00 C ATOM 256 C GLU A 16 -0.041 43.568 -11.343 1.00 0.00 C ATOM 257 O GLU A 16 1.025 43.155 -11.776 1.00 0.00 O ATOM 258 CB GLU A 16 0.011 46.036 -12.032 1.00 0.00 C ATOM 259 CG GLU A 16 -0.027 47.549 -11.544 1.00 0.00 C ATOM 260 CD GLU A 16 1.315 48.368 -11.527 1.00 0.00 C ATOM 261 OE1 GLU A 16 1.188 49.579 -11.820 1.00 0.00 O ATOM 262 OE2 GLU A 16 2.383 47.830 -11.104 1.00 0.00 O ATOM 0 H GLU A 16 1.984 45.244 -10.499 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.962 45.253 -10.314 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.920 45.868 -12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.830 45.853 -12.701 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.733 48.084 -12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.435 47.561 -10.533 1.00 0.00 H new ATOM 269 N VAL A 17 -1.157 42.867 -11.268 1.00 0.00 N ATOM 270 CA VAL A 17 -1.091 41.379 -11.324 1.00 0.00 C ATOM 271 C VAL A 17 -2.468 40.793 -11.724 1.00 0.00 C ATOM 272 O VAL A 17 -3.517 41.404 -11.522 1.00 0.00 O ATOM 273 CB VAL A 17 -0.615 40.742 -10.012 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.943 40.975 -9.789 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.328 41.213 -8.720 1.00 0.00 C ATOM 0 H VAL A 17 -2.093 43.262 -11.172 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.347 41.134 -12.082 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.868 39.692 -10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.250 40.512 -8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.499 40.528 -10.613 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.149 42.045 -9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.905 40.693 -7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.188 42.287 -8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.393 40.991 -8.791 1.00 0.00 H new ATOM 285 N GLU A 18 -2.443 39.579 -12.295 1.00 0.00 N ATOM 286 CA GLU A 18 -3.663 38.873 -12.670 1.00 0.00 C ATOM 287 C GLU A 18 -3.956 37.983 -11.407 1.00 0.00 C ATOM 288 O GLU A 18 -2.992 37.495 -10.878 1.00 0.00 O ATOM 289 CB GLU A 18 -3.396 37.856 -13.801 1.00 0.00 C ATOM 290 CG GLU A 18 -3.106 38.625 -15.153 1.00 0.00 C ATOM 291 CD GLU A 18 -2.458 37.634 -16.168 1.00 0.00 C ATOM 292 OE1 GLU A 18 -1.332 37.194 -15.931 1.00 0.00 O ATOM 293 OE2 GLU A 18 -3.079 37.331 -17.183 1.00 0.00 O ATOM 0 H GLU A 18 -1.584 39.070 -12.505 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.440 39.572 -12.979 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.547 37.224 -13.542 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.257 37.199 -13.923 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.031 39.032 -15.561 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.440 39.468 -14.972 1.00 0.00 H new ATOM 300 N PRO A 19 -5.134 37.741 -11.030 1.00 0.00 N ATOM 301 CA PRO A 19 -5.403 36.527 -10.165 1.00 0.00 C ATOM 302 C PRO A 19 -4.767 35.182 -10.474 1.00 0.00 C ATOM 303 O PRO A 19 -4.686 34.450 -9.468 1.00 0.00 O ATOM 304 CB PRO A 19 -7.000 36.504 -10.152 1.00 0.00 C ATOM 305 CG PRO A 19 -7.442 37.860 -10.689 1.00 0.00 C ATOM 306 CD PRO A 19 -6.356 38.245 -11.665 1.00 0.00 C ATOM 0 HA PRO A 19 -4.898 36.650 -9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.384 35.694 -10.772 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.380 36.341 -9.144 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.414 37.797 -11.179 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.536 38.594 -9.888 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.516 37.792 -12.644 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.315 39.324 -11.816 1.00 0.00 H new ATOM 314 N SER A 20 -4.421 34.866 -11.724 1.00 0.00 N ATOM 315 CA SER A 20 -3.751 33.609 -12.082 1.00 0.00 C ATOM 316 C SER A 20 -2.270 33.731 -11.767 1.00 0.00 C ATOM 317 O SER A 20 -1.585 32.727 -11.763 1.00 0.00 O ATOM 318 CB SER A 20 -4.011 33.237 -13.581 1.00 0.00 C ATOM 319 OG SER A 20 -3.663 34.421 -14.350 1.00 0.00 O ATOM 0 H SER A 20 -4.598 35.476 -12.522 1.00 0.00 H new ATOM 0 HA SER A 20 -4.164 32.792 -11.490 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.405 32.383 -13.883 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.053 32.960 -13.740 1.00 0.00 H new ATOM 0 HG SER A 20 -3.805 34.245 -15.304 1.00 0.00 H new ATOM 325 N ASP A 21 -1.711 34.932 -11.528 1.00 0.00 N ATOM 326 CA ASP A 21 -0.312 35.039 -11.222 1.00 0.00 C ATOM 327 C ASP A 21 0.018 34.377 -9.857 1.00 0.00 C ATOM 328 O ASP A 21 -0.777 34.338 -8.877 1.00 0.00 O ATOM 329 CB ASP A 21 0.086 36.528 -11.260 1.00 0.00 C ATOM 330 CG ASP A 21 0.162 37.115 -12.704 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.713 36.432 -13.541 1.00 0.00 O ATOM 332 OD2 ASP A 21 -0.155 38.289 -12.901 1.00 0.00 O ATOM 0 H ASP A 21 -2.216 35.818 -11.545 1.00 0.00 H new ATOM 0 HA ASP A 21 0.273 34.499 -11.967 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.635 37.104 -10.680 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.055 36.650 -10.775 1.00 0.00 H new ATOM 337 N THR A 22 1.207 33.717 -9.821 1.00 0.00 N ATOM 338 CA THR A 22 1.634 33.021 -8.604 1.00 0.00 C ATOM 339 C THR A 22 2.345 33.916 -7.674 1.00 0.00 C ATOM 340 O THR A 22 2.823 34.942 -8.091 1.00 0.00 O ATOM 341 CB THR A 22 2.584 31.802 -8.839 1.00 0.00 C ATOM 342 OG1 THR A 22 3.708 32.058 -9.600 1.00 0.00 O ATOM 343 CG2 THR A 22 1.759 30.740 -9.615 1.00 0.00 C ATOM 0 H THR A 22 1.861 33.659 -10.602 1.00 0.00 H new ATOM 0 HA THR A 22 0.691 32.664 -8.191 1.00 0.00 H new ATOM 0 HB THR A 22 2.939 31.495 -7.855 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.237 31.238 -9.688 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.380 29.865 -9.805 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.892 30.448 -9.022 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.425 31.161 -10.563 1.00 0.00 H new ATOM 351 N ILE A 23 2.322 33.533 -6.372 1.00 0.00 N ATOM 352 CA ILE A 23 3.043 34.210 -5.277 1.00 0.00 C ATOM 353 C ILE A 23 4.564 34.191 -5.535 1.00 0.00 C ATOM 354 O ILE A 23 5.262 35.121 -5.174 1.00 0.00 O ATOM 355 CB ILE A 23 2.775 33.478 -3.938 1.00 0.00 C ATOM 356 CG1 ILE A 23 1.285 33.120 -3.682 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.392 34.313 -2.754 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.275 34.339 -3.771 1.00 0.00 C ATOM 0 H ILE A 23 1.787 32.725 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 23 2.689 35.240 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 23 3.270 32.509 -4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.980 32.362 -4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.200 32.670 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.205 33.800 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.467 34.417 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.932 35.301 -2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.738 33.987 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.546 35.091 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.322 34.779 -4.767 1.00 0.00 H new ATOM 370 N GLU A 24 5.121 33.187 -6.194 1.00 0.00 N ATOM 371 CA GLU A 24 6.499 33.280 -6.732 1.00 0.00 C ATOM 372 C GLU A 24 6.721 34.447 -7.719 1.00 0.00 C ATOM 373 O GLU A 24 7.772 35.078 -7.622 1.00 0.00 O ATOM 374 CB GLU A 24 6.788 31.962 -7.412 1.00 0.00 C ATOM 375 CG GLU A 24 8.270 31.913 -8.007 1.00 0.00 C ATOM 376 CD GLU A 24 8.395 30.573 -8.708 1.00 0.00 C ATOM 377 OE1 GLU A 24 7.520 30.192 -9.494 1.00 0.00 O ATOM 378 OE2 GLU A 24 9.386 29.904 -8.398 1.00 0.00 O ATOM 0 H GLU A 24 4.656 32.298 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 24 7.177 33.485 -5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.656 31.148 -6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.069 31.802 -8.215 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.438 32.735 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.012 32.010 -7.214 1.00 0.00 H new ATOM 385 N ASN A 25 5.721 34.745 -8.603 1.00 0.00 N ATOM 386 CA ASN A 25 5.753 35.890 -9.546 1.00 0.00 C ATOM 387 C ASN A 25 5.561 37.223 -8.797 1.00 0.00 C ATOM 388 O ASN A 25 6.311 38.153 -9.058 1.00 0.00 O ATOM 389 CB ASN A 25 4.710 35.804 -10.743 1.00 0.00 C ATOM 390 CG ASN A 25 4.999 36.813 -11.850 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.363 37.899 -11.917 1.00 0.00 O ATOM 392 ND2 ASN A 25 6.067 36.698 -12.574 1.00 0.00 N ATOM 0 H ASN A 25 4.869 34.190 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 25 6.742 35.842 -10.001 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.726 34.798 -11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.705 35.973 -10.356 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.365 37.470 -13.170 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.610 35.835 -12.548 1.00 0.00 H new ATOM 399 N VAL A 26 4.638 37.323 -7.814 1.00 0.00 N ATOM 400 CA VAL A 26 4.525 38.531 -6.979 1.00 0.00 C ATOM 401 C VAL A 26 5.895 38.826 -6.220 1.00 0.00 C ATOM 402 O VAL A 26 6.323 39.983 -6.106 1.00 0.00 O ATOM 403 CB VAL A 26 3.383 38.358 -5.971 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.310 39.691 -5.137 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.077 38.124 -6.773 1.00 0.00 C ATOM 0 H VAL A 26 3.969 36.588 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 26 4.307 39.382 -7.624 1.00 0.00 H new ATOM 0 HB VAL A 26 3.533 37.514 -5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.508 39.617 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.258 39.852 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.113 40.529 -5.806 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.244 37.997 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.887 38.983 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.181 37.228 -7.385 1.00 0.00 H new ATOM 415 N LYS A 27 6.640 37.808 -5.793 1.00 0.00 N ATOM 416 CA LYS A 27 8.017 38.009 -5.257 1.00 0.00 C ATOM 417 C LYS A 27 9.084 38.394 -6.267 1.00 0.00 C ATOM 418 O LYS A 27 10.008 39.125 -5.918 1.00 0.00 O ATOM 419 CB LYS A 27 8.506 36.792 -4.436 1.00 0.00 C ATOM 420 CG LYS A 27 7.561 36.613 -3.238 1.00 0.00 C ATOM 421 CD LYS A 27 8.203 35.669 -2.179 1.00 0.00 C ATOM 422 CE LYS A 27 8.385 34.217 -2.723 1.00 0.00 C ATOM 423 NZ LYS A 27 8.867 33.298 -1.641 1.00 0.00 N ATOM 0 H LYS A 27 6.331 36.836 -5.801 1.00 0.00 H new ATOM 0 HA LYS A 27 7.893 38.880 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.512 35.894 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.529 36.950 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.346 37.582 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.610 36.200 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.172 36.067 -1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.577 35.646 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.438 33.852 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.098 34.220 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.767 32.864 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.009 33.839 -0.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.160 32.553 -1.478 1.00 0.00 H new ATOM 437 N ALA A 28 8.917 37.879 -7.499 1.00 0.00 N ATOM 438 CA ALA A 28 9.747 38.388 -8.578 1.00 0.00 C ATOM 439 C ALA A 28 9.464 39.851 -8.876 1.00 0.00 C ATOM 440 O ALA A 28 10.410 40.635 -9.033 1.00 0.00 O ATOM 441 CB ALA A 28 9.532 37.436 -9.833 1.00 0.00 C ATOM 0 H ALA A 28 8.250 37.151 -7.754 1.00 0.00 H new ATOM 0 HA ALA A 28 10.799 38.372 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.141 37.788 -10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.826 36.419 -9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.481 37.447 -10.122 1.00 0.00 H new ATOM 447 N LYS A 29 8.188 40.229 -8.857 1.00 0.00 N ATOM 448 CA LYS A 29 7.749 41.600 -8.994 1.00 0.00 C ATOM 449 C LYS A 29 8.252 42.569 -7.883 1.00 0.00 C ATOM 450 O LYS A 29 8.685 43.658 -8.264 1.00 0.00 O ATOM 451 CB LYS A 29 6.179 41.747 -9.189 1.00 0.00 C ATOM 452 CG LYS A 29 5.664 41.197 -10.563 1.00 0.00 C ATOM 453 CD LYS A 29 6.333 41.870 -11.790 1.00 0.00 C ATOM 454 CE LYS A 29 6.265 43.398 -11.754 1.00 0.00 C ATOM 455 NZ LYS A 29 6.897 43.938 -13.022 1.00 0.00 N ATOM 0 H LYS A 29 7.419 39.569 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 29 8.236 41.914 -9.917 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.670 41.220 -8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.907 42.799 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.843 40.123 -10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.585 41.343 -10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.377 41.561 -11.841 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.850 41.513 -12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.229 43.729 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.789 43.780 -10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.667 44.947 -13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.929 43.821 -12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.528 43.417 -13.843 1.00 0.00 H new ATOM 469 N ILE A 30 8.249 42.175 -6.608 1.00 0.00 N ATOM 470 CA ILE A 30 8.999 43.012 -5.588 1.00 0.00 C ATOM 471 C ILE A 30 10.514 43.082 -5.790 1.00 0.00 C ATOM 472 O ILE A 30 11.114 44.170 -5.606 1.00 0.00 O ATOM 473 CB ILE A 30 8.666 42.642 -4.141 1.00 0.00 C ATOM 474 CG1 ILE A 30 9.254 43.722 -3.124 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.259 41.239 -3.654 1.00 0.00 C ATOM 476 CD1 ILE A 30 8.453 45.037 -3.141 1.00 0.00 C ATOM 0 H ILE A 30 7.780 41.345 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 30 8.624 44.018 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 30 7.577 42.595 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.249 43.309 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.294 43.929 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.972 41.063 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.864 40.440 -4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.346 41.257 -3.731 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.892 45.740 -2.433 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.480 45.467 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.419 44.837 -2.860 1.00 0.00 H new ATOM 488 N GLN A 31 11.223 42.017 -6.234 1.00 0.00 N ATOM 489 CA GLN A 31 12.614 42.066 -6.628 1.00 0.00 C ATOM 490 C GLN A 31 12.842 43.010 -7.804 1.00 0.00 C ATOM 491 O GLN A 31 13.813 43.765 -7.736 1.00 0.00 O ATOM 492 CB GLN A 31 13.052 40.607 -6.985 1.00 0.00 C ATOM 493 CG GLN A 31 14.336 40.441 -7.938 1.00 0.00 C ATOM 494 CD GLN A 31 15.630 41.197 -7.478 1.00 0.00 C ATOM 495 OE1 GLN A 31 16.521 41.508 -8.376 1.00 0.00 O ATOM 496 NE2 GLN A 31 15.844 41.379 -6.148 1.00 0.00 N ATOM 0 H GLN A 31 10.815 41.086 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 31 13.215 42.458 -5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.251 40.076 -6.054 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.209 40.108 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.568 39.379 -8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.071 40.788 -8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.121 41.123 -5.475 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.727 41.772 -5.823 1.00 0.00 H new ATOM 505 N ASP A 32 12.002 42.924 -8.849 1.00 0.00 N ATOM 506 CA ASP A 32 11.975 43.905 -9.968 1.00 0.00 C ATOM 507 C ASP A 32 11.695 45.356 -9.449 1.00 0.00 C ATOM 508 O ASP A 32 12.485 46.247 -9.783 1.00 0.00 O ATOM 509 CB ASP A 32 10.913 43.387 -10.962 1.00 0.00 C ATOM 510 CG ASP A 32 10.706 44.346 -12.159 1.00 0.00 C ATOM 511 OD1 ASP A 32 11.670 45.003 -12.620 1.00 0.00 O ATOM 512 OD2 ASP A 32 9.562 44.362 -12.622 1.00 0.00 O ATOM 0 H ASP A 32 11.318 42.174 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 32 12.940 43.983 -10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.214 42.407 -11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.966 43.253 -10.440 1.00 0.00 H new ATOM 517 N LYS A 33 10.682 45.615 -8.588 1.00 0.00 N ATOM 518 CA LYS A 33 10.430 47.015 -8.187 1.00 0.00 C ATOM 519 C LYS A 33 11.396 47.622 -7.174 1.00 0.00 C ATOM 520 O LYS A 33 11.720 48.824 -7.231 1.00 0.00 O ATOM 521 CB LYS A 33 8.945 47.141 -7.692 1.00 0.00 C ATOM 522 CG LYS A 33 7.975 46.968 -8.896 1.00 0.00 C ATOM 523 CD LYS A 33 6.977 48.125 -8.927 1.00 0.00 C ATOM 524 CE LYS A 33 5.761 47.904 -9.861 1.00 0.00 C ATOM 525 NZ LYS A 33 4.880 49.097 -10.063 1.00 0.00 N ATOM 0 H LYS A 33 10.060 44.917 -8.179 1.00 0.00 H new ATOM 0 HA LYS A 33 10.610 47.609 -9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.739 46.385 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.789 48.113 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.539 46.937 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.444 46.020 -8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.613 48.301 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.499 49.029 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.127 47.575 -10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.157 47.092 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.959 48.789 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.742 49.584 -9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.326 49.748 -10.741 1.00 0.00 H new ATOM 539 N GLU A 34 11.925 46.836 -6.192 1.00 0.00 N ATOM 540 CA GLU A 34 12.656 47.426 -5.041 1.00 0.00 C ATOM 541 C GLU A 34 13.967 46.684 -4.716 1.00 0.00 C ATOM 542 O GLU A 34 14.680 47.115 -3.831 1.00 0.00 O ATOM 543 CB GLU A 34 11.863 47.240 -3.723 1.00 0.00 C ATOM 544 CG GLU A 34 10.516 48.018 -3.591 1.00 0.00 C ATOM 545 CD GLU A 34 10.759 49.521 -3.592 1.00 0.00 C ATOM 546 OE1 GLU A 34 11.403 49.933 -2.649 1.00 0.00 O ATOM 547 OE2 GLU A 34 10.361 50.189 -4.545 1.00 0.00 O ATOM 0 H GLU A 34 11.860 45.818 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 34 12.815 48.462 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.654 46.177 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.508 47.536 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.854 47.751 -4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.011 47.727 -2.670 1.00 0.00 H new ATOM 554 N GLY A 35 14.309 45.717 -5.532 1.00 0.00 N ATOM 555 CA GLY A 35 15.553 44.996 -5.445 1.00 0.00 C ATOM 556 C GLY A 35 15.656 44.081 -4.244 1.00 0.00 C ATOM 557 O GLY A 35 16.747 43.994 -3.714 1.00 0.00 O ATOM 0 H GLY A 35 13.712 45.402 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.681 44.404 -6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.374 45.712 -5.414 1.00 0.00 H new ATOM 561 N ILE A 36 14.549 43.392 -3.873 1.00 0.00 N ATOM 562 CA ILE A 36 14.533 42.516 -2.661 1.00 0.00 C ATOM 563 C ILE A 36 14.854 40.983 -2.976 1.00 0.00 C ATOM 564 O ILE A 36 14.279 40.474 -3.943 1.00 0.00 O ATOM 565 CB ILE A 36 13.216 42.743 -1.837 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.342 44.162 -1.185 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.194 41.641 -0.727 1.00 0.00 C ATOM 568 CD1 ILE A 36 11.901 44.646 -0.683 1.00 0.00 C ATOM 0 H ILE A 36 13.666 43.420 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 36 15.363 42.819 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 36 12.309 42.686 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.039 44.129 -0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.745 44.872 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.295 41.753 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.198 40.655 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.074 41.746 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.987 45.633 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.218 44.695 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.516 43.940 0.053 1.00 0.00 H new ATOM 580 N PRO A 37 15.725 40.287 -2.164 1.00 0.00 N ATOM 581 CA PRO A 37 16.112 38.805 -2.344 1.00 0.00 C ATOM 582 C PRO A 37 14.865 37.991 -2.364 1.00 0.00 C ATOM 583 O PRO A 37 14.196 37.914 -1.356 1.00 0.00 O ATOM 584 CB PRO A 37 17.067 38.532 -1.135 1.00 0.00 C ATOM 585 CG PRO A 37 17.820 39.788 -1.054 1.00 0.00 C ATOM 586 CD PRO A 37 16.684 40.900 -1.250 1.00 0.00 C ATOM 0 HA PRO A 37 16.620 38.550 -3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.516 38.327 -0.217 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.718 37.676 -1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.327 39.894 -0.095 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.585 39.851 -1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.216 41.161 -0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.096 41.819 -1.666 1.00 0.00 H new ATOM 594 N PRO A 38 14.503 37.420 -3.489 1.00 0.00 N ATOM 595 CA PRO A 38 13.111 36.956 -3.683 1.00 0.00 C ATOM 596 C PRO A 38 12.692 35.711 -2.897 1.00 0.00 C ATOM 597 O PRO A 38 11.585 35.721 -2.370 1.00 0.00 O ATOM 598 CB PRO A 38 12.941 36.852 -5.203 1.00 0.00 C ATOM 599 CG PRO A 38 14.360 36.764 -5.848 1.00 0.00 C ATOM 600 CD PRO A 38 15.189 37.562 -4.823 1.00 0.00 C ATOM 0 HA PRO A 38 12.412 37.670 -3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.351 35.972 -5.460 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.403 37.719 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.706 35.735 -5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.391 37.210 -6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.209 37.182 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.253 38.611 -5.113 1.00 0.00 H new ATOM 608 N ASP A 39 13.596 34.715 -2.891 1.00 0.00 N ATOM 609 CA ASP A 39 13.285 33.388 -2.275 1.00 0.00 C ATOM 610 C ASP A 39 13.451 33.381 -0.791 1.00 0.00 C ATOM 611 O ASP A 39 12.892 32.487 -0.133 1.00 0.00 O ATOM 612 CB ASP A 39 14.172 32.228 -2.852 1.00 0.00 C ATOM 613 CG ASP A 39 14.233 32.179 -4.368 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.914 31.251 -4.801 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.610 32.967 -5.060 1.00 0.00 O ATOM 0 H ASP A 39 14.531 34.788 -3.293 1.00 0.00 H new ATOM 0 HA ASP A 39 12.239 33.218 -2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.185 32.334 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.788 31.276 -2.485 1.00 0.00 H new ATOM 620 N GLN A 40 14.117 34.444 -0.239 1.00 0.00 N ATOM 621 CA GLN A 40 14.373 34.674 1.145 1.00 0.00 C ATOM 622 C GLN A 40 13.189 35.231 1.908 1.00 0.00 C ATOM 623 O GLN A 40 13.095 35.024 3.110 1.00 0.00 O ATOM 624 CB GLN A 40 15.568 35.655 1.421 1.00 0.00 C ATOM 625 CG GLN A 40 16.837 35.322 0.571 1.00 0.00 C ATOM 626 CD GLN A 40 17.290 33.862 0.360 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.701 33.176 1.316 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.050 33.313 -0.808 1.00 0.00 N ATOM 0 H GLN A 40 14.498 35.188 -0.823 1.00 0.00 H new ATOM 0 HA GLN A 40 14.615 33.671 1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.251 36.675 1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.826 35.617 2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 40 16.682 35.754 -0.417 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.674 35.854 1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.714 33.886 -1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.200 32.313 -0.942 1.00 0.00 H new ATOM 637 N GLN A 41 12.306 35.927 1.217 1.00 0.00 N ATOM 638 CA GLN A 41 11.083 36.381 1.824 1.00 0.00 C ATOM 639 C GLN A 41 9.914 35.459 1.449 1.00 0.00 C ATOM 640 O GLN A 41 9.878 34.747 0.430 1.00 0.00 O ATOM 641 CB GLN A 41 10.688 37.813 1.369 1.00 0.00 C ATOM 642 CG GLN A 41 11.346 39.013 2.214 1.00 0.00 C ATOM 643 CD GLN A 41 12.792 38.804 2.555 1.00 0.00 C ATOM 644 OE1 GLN A 41 13.112 38.580 3.759 1.00 0.00 O ATOM 645 NE2 GLN A 41 13.681 38.944 1.622 1.00 0.00 N ATOM 0 H GLN A 41 12.418 36.187 0.237 1.00 0.00 H new ATOM 0 HA GLN A 41 11.269 36.375 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.967 37.933 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.603 37.906 1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.248 39.938 1.646 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.782 39.144 3.137 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.388 39.124 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.673 38.874 1.848 1.00 0.00 H new ATOM 654 N ARG A 42 8.949 35.501 2.383 1.00 0.00 N ATOM 655 CA ARG A 42 7.689 34.866 2.210 1.00 0.00 C ATOM 656 C ARG A 42 6.650 35.963 2.360 1.00 0.00 C ATOM 657 O ARG A 42 6.716 36.788 3.269 1.00 0.00 O ATOM 658 CB ARG A 42 7.525 33.675 3.208 1.00 0.00 C ATOM 659 CG ARG A 42 7.650 34.057 4.728 1.00 0.00 C ATOM 660 CD ARG A 42 7.413 32.749 5.531 1.00 0.00 C ATOM 661 NE ARG A 42 7.736 33.156 6.937 1.00 0.00 N ATOM 662 CZ ARG A 42 6.815 33.133 7.905 1.00 0.00 C ATOM 663 NH1 ARG A 42 5.835 32.211 7.927 1.00 0.00 N ATOM 664 NH2 ARG A 42 6.936 33.809 9.035 1.00 0.00 N ATOM 0 H ARG A 42 9.050 35.986 3.274 1.00 0.00 H new ATOM 0 HA ARG A 42 7.578 34.402 1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.550 33.215 3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.277 32.921 2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.634 34.472 4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.917 34.817 4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.385 32.398 5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.058 31.941 5.186 1.00 0.00 H new ATOM 0 HE ARG A 42 8.684 33.459 7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.782 31.506 7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.145 32.218 8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.763 34.383 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.202 33.756 9.742 1.00 0.00 H new ATOM 678 N LEU A 43 5.690 36.015 1.405 1.00 0.00 N ATOM 679 CA LEU A 43 4.576 36.851 1.598 1.00 0.00 C ATOM 680 C LEU A 43 3.524 36.277 2.583 1.00 0.00 C ATOM 681 O LEU A 43 3.113 35.087 2.574 1.00 0.00 O ATOM 682 CB LEU A 43 3.891 37.168 0.217 1.00 0.00 C ATOM 683 CG LEU A 43 4.611 38.282 -0.563 1.00 0.00 C ATOM 684 CD1 LEU A 43 3.775 38.587 -1.823 1.00 0.00 C ATOM 685 CD2 LEU A 43 4.619 39.582 0.367 1.00 0.00 C ATOM 0 H LEU A 43 5.700 35.488 0.532 1.00 0.00 H new ATOM 0 HA LEU A 43 4.960 37.764 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.869 36.262 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.856 37.462 0.389 1.00 0.00 H new ATOM 0 HG LEU A 43 5.625 37.992 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.260 39.375 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.695 37.687 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.778 38.914 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.123 40.398 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.593 39.874 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.146 39.362 1.295 1.00 0.00 H new ATOM 697 N ILE A 44 3.138 37.186 3.492 1.00 0.00 N ATOM 698 CA ILE A 44 2.122 36.902 4.495 1.00 0.00 C ATOM 699 C ILE A 44 0.871 37.717 4.103 1.00 0.00 C ATOM 700 O ILE A 44 1.024 38.896 3.787 1.00 0.00 O ATOM 701 CB ILE A 44 2.577 37.386 5.849 1.00 0.00 C ATOM 702 CG1 ILE A 44 4.030 36.912 6.146 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.577 36.944 6.996 1.00 0.00 C ATOM 704 CD1 ILE A 44 4.261 35.325 6.099 1.00 0.00 C ATOM 0 H ILE A 44 3.523 38.129 3.545 1.00 0.00 H new ATOM 0 HA ILE A 44 1.928 35.830 4.541 1.00 0.00 H new ATOM 0 HB ILE A 44 2.576 38.476 5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.701 37.381 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.317 37.275 7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.939 37.312 7.956 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.589 37.360 6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.514 35.856 7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.305 35.103 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.623 34.842 6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.012 34.950 5.106 1.00 0.00 H new ATOM 716 N PHE A 45 -0.321 37.114 4.194 1.00 0.00 N ATOM 717 CA PHE A 45 -1.552 37.910 4.073 1.00 0.00 C ATOM 718 C PHE A 45 -2.546 37.538 5.233 1.00 0.00 C ATOM 719 O PHE A 45 -2.841 36.366 5.530 1.00 0.00 O ATOM 720 CB PHE A 45 -2.346 37.685 2.708 1.00 0.00 C ATOM 721 CG PHE A 45 -3.639 38.480 2.585 1.00 0.00 C ATOM 722 CD1 PHE A 45 -3.596 39.871 2.640 1.00 0.00 C ATOM 723 CD2 PHE A 45 -4.843 37.851 2.466 1.00 0.00 C ATOM 724 CE1 PHE A 45 -4.808 40.660 2.565 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.044 38.604 2.406 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.042 40.005 2.503 1.00 0.00 C ATOM 0 H PHE A 45 -0.460 36.115 4.345 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.221 38.948 4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.693 37.949 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.577 36.624 2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.643 40.369 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.883 36.773 2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.760 41.739 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.984 38.086 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.968 40.561 2.529 1.00 0.00 H new ATOM 736 N ALA A 46 -3.157 38.548 5.909 1.00 0.00 N ATOM 737 CA ALA A 46 -4.094 38.329 7.030 1.00 0.00 C ATOM 738 C ALA A 46 -3.578 37.351 8.170 1.00 0.00 C ATOM 739 O ALA A 46 -4.413 36.723 8.826 1.00 0.00 O ATOM 740 CB ALA A 46 -5.543 38.002 6.594 1.00 0.00 C ATOM 0 H ALA A 46 -3.010 39.533 5.688 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.128 39.313 7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.165 37.856 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.940 38.827 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.546 37.092 5.994 1.00 0.00 H new ATOM 746 N GLY A 47 -2.256 37.346 8.493 1.00 0.00 N ATOM 747 CA GLY A 47 -1.671 36.612 9.609 1.00 0.00 C ATOM 748 C GLY A 47 -1.013 35.336 9.123 1.00 0.00 C ATOM 749 O GLY A 47 -0.336 34.672 9.867 1.00 0.00 O ATOM 0 H GLY A 47 -1.564 37.872 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.935 37.236 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.444 36.373 10.339 1.00 0.00 H new ATOM 753 N LYS A 48 -1.305 34.976 7.844 1.00 0.00 N ATOM 754 CA LYS A 48 -1.076 33.642 7.343 1.00 0.00 C ATOM 755 C LYS A 48 -0.320 33.630 6.037 1.00 0.00 C ATOM 756 O LYS A 48 -0.490 34.437 5.169 1.00 0.00 O ATOM 757 CB LYS A 48 -2.390 32.842 7.181 1.00 0.00 C ATOM 758 CG LYS A 48 -3.559 33.717 6.600 1.00 0.00 C ATOM 759 CD LYS A 48 -4.849 32.831 6.531 1.00 0.00 C ATOM 760 CE LYS A 48 -6.182 33.710 6.683 1.00 0.00 C ATOM 761 NZ LYS A 48 -7.395 32.882 6.640 1.00 0.00 N ATOM 0 H LYS A 48 -1.702 35.615 7.156 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.460 33.157 8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.215 31.991 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.688 32.439 8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.731 34.589 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.299 34.087 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.872 32.296 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.817 32.080 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.150 34.257 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.221 34.451 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.233 33.489 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.440 32.379 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.372 32.191 7.417 1.00 0.00 H new ATOM 775 N GLN A 49 0.672 32.708 6.007 1.00 0.00 N ATOM 776 CA GLN A 49 1.628 32.659 4.934 1.00 0.00 C ATOM 777 C GLN A 49 0.964 32.163 3.646 1.00 0.00 C ATOM 778 O GLN A 49 0.001 31.367 3.625 1.00 0.00 O ATOM 779 CB GLN A 49 2.973 31.903 5.322 1.00 0.00 C ATOM 780 CG GLN A 49 2.818 30.462 5.822 1.00 0.00 C ATOM 781 CD GLN A 49 4.191 29.786 6.068 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.249 30.476 5.945 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.167 28.482 6.432 1.00 0.00 N ATOM 0 H GLN A 49 0.810 31.998 6.726 1.00 0.00 H new ATOM 0 HA GLN A 49 1.965 33.677 4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.626 31.895 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.481 32.481 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.241 30.458 6.746 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.254 29.883 5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.277 27.991 6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.039 27.991 6.628 1.00 0.00 H new ATOM 792 N LEU A 50 1.561 32.643 2.524 1.00 0.00 N ATOM 793 CA LEU A 50 1.137 32.231 1.201 1.00 0.00 C ATOM 794 C LEU A 50 2.316 31.461 0.535 1.00 0.00 C ATOM 795 O LEU A 50 3.468 31.879 0.584 1.00 0.00 O ATOM 796 CB LEU A 50 0.853 33.497 0.353 1.00 0.00 C ATOM 797 CG LEU A 50 -0.170 34.439 1.029 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.374 35.664 0.103 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.580 33.765 1.153 1.00 0.00 C ATOM 0 H LEU A 50 2.332 33.311 2.530 1.00 0.00 H new ATOM 0 HA LEU A 50 0.246 31.607 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.785 34.037 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.478 33.199 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 50 0.212 34.696 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.093 36.347 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.577 36.178 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.750 35.330 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.273 34.456 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.950 33.511 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.498 32.859 1.753 1.00 0.00 H new ATOM 811 N GLU A 51 1.971 30.291 0.011 1.00 0.00 N ATOM 812 CA GLU A 51 2.965 29.341 -0.537 1.00 0.00 C ATOM 813 C GLU A 51 3.292 29.699 -1.969 1.00 0.00 C ATOM 814 O GLU A 51 2.415 30.190 -2.698 1.00 0.00 O ATOM 815 CB GLU A 51 2.399 27.900 -0.507 1.00 0.00 C ATOM 816 CG GLU A 51 2.610 27.327 0.915 1.00 0.00 C ATOM 817 CD GLU A 51 3.000 25.835 0.851 1.00 0.00 C ATOM 818 OE1 GLU A 51 2.089 25.037 1.171 1.00 0.00 O ATOM 819 OE2 GLU A 51 4.195 25.583 0.557 1.00 0.00 O ATOM 0 H GLU A 51 1.007 29.965 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 51 3.865 29.398 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.339 27.902 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.904 27.278 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.390 27.890 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.697 27.444 1.499 1.00 0.00 H new ATOM 826 N ASP A 52 4.587 29.617 -2.328 1.00 0.00 N ATOM 827 CA ASP A 52 5.138 30.188 -3.565 1.00 0.00 C ATOM 828 C ASP A 52 4.426 29.724 -4.849 1.00 0.00 C ATOM 829 O ASP A 52 4.139 30.568 -5.737 1.00 0.00 O ATOM 830 CB ASP A 52 6.628 29.673 -3.610 1.00 0.00 C ATOM 831 CG ASP A 52 7.431 30.190 -2.389 1.00 0.00 C ATOM 832 OD1 ASP A 52 8.449 29.594 -2.057 1.00 0.00 O ATOM 833 OD2 ASP A 52 7.107 31.289 -1.984 1.00 0.00 O ATOM 0 H ASP A 52 5.288 29.145 -1.756 1.00 0.00 H new ATOM 0 HA ASP A 52 5.023 31.272 -3.543 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.640 28.583 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.105 30.008 -4.531 1.00 0.00 H new ATOM 838 N GLY A 53 4.155 28.397 -5.018 1.00 0.00 N ATOM 839 CA GLY A 53 3.638 27.818 -6.288 1.00 0.00 C ATOM 840 C GLY A 53 2.107 28.029 -6.540 1.00 0.00 C ATOM 841 O GLY A 53 1.606 27.740 -7.641 1.00 0.00 O ATOM 0 H GLY A 53 4.289 27.705 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.191 28.255 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.847 26.748 -6.293 1.00 0.00 H new ATOM 845 N ARG A 54 1.438 28.518 -5.460 1.00 0.00 N ATOM 846 CA ARG A 54 -0.051 28.768 -5.430 1.00 0.00 C ATOM 847 C ARG A 54 -0.406 30.093 -6.039 1.00 0.00 C ATOM 848 O ARG A 54 0.434 30.982 -6.159 1.00 0.00 O ATOM 849 CB ARG A 54 -0.750 28.571 -4.059 1.00 0.00 C ATOM 850 CG ARG A 54 -0.512 27.067 -3.589 1.00 0.00 C ATOM 851 CD ARG A 54 -1.267 26.811 -2.280 1.00 0.00 C ATOM 852 NE ARG A 54 -2.679 26.755 -2.652 1.00 0.00 N ATOM 853 CZ ARG A 54 -3.693 26.434 -1.790 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.488 26.262 -0.528 1.00 0.00 N ATOM 855 NH2 ARG A 54 -4.941 26.472 -2.217 1.00 0.00 N ATOM 0 H ARG A 54 1.904 28.753 -4.583 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.456 27.968 -6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.347 29.267 -3.324 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.817 28.778 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.855 26.376 -4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.553 26.884 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.945 25.878 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.082 27.606 -1.558 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.926 26.969 -3.618 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.548 26.365 -0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.266 26.023 0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.142 26.739 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.704 26.235 -1.583 1.00 0.00 H new ATOM 869 N THR A 55 -1.704 30.286 -6.435 1.00 0.00 N ATOM 870 CA THR A 55 -2.061 31.499 -7.140 1.00 0.00 C ATOM 871 C THR A 55 -2.786 32.477 -6.197 1.00 0.00 C ATOM 872 O THR A 55 -3.122 32.139 -5.076 1.00 0.00 O ATOM 873 CB THR A 55 -2.899 31.314 -8.428 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.317 31.112 -8.239 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.405 30.154 -9.339 1.00 0.00 C ATOM 0 H THR A 55 -2.469 29.631 -6.274 1.00 0.00 H new ATOM 0 HA THR A 55 -1.105 31.902 -7.474 1.00 0.00 H new ATOM 0 HB THR A 55 -2.744 32.282 -8.905 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.752 31.008 -9.111 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.042 30.087 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.377 30.346 -9.647 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.449 29.215 -8.788 1.00 0.00 H new ATOM 883 N LEU A 56 -2.956 33.689 -6.647 1.00 0.00 N ATOM 884 CA LEU A 56 -3.808 34.628 -5.898 1.00 0.00 C ATOM 885 C LEU A 56 -5.317 34.212 -5.908 1.00 0.00 C ATOM 886 O LEU A 56 -6.008 34.403 -4.907 1.00 0.00 O ATOM 887 CB LEU A 56 -3.629 36.001 -6.446 1.00 0.00 C ATOM 888 CG LEU A 56 -2.138 36.424 -6.313 1.00 0.00 C ATOM 889 CD1 LEU A 56 -1.934 37.353 -7.513 1.00 0.00 C ATOM 890 CD2 LEU A 56 -1.835 37.139 -4.935 1.00 0.00 C ATOM 0 H LEU A 56 -2.539 34.061 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.494 34.606 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.934 36.029 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.266 36.704 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.454 35.575 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.906 37.716 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.133 36.806 -8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.617 38.199 -7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.781 37.414 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.448 38.036 -4.848 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.067 36.460 -4.114 1.00 0.00 H new ATOM 902 N SER A 57 -5.782 33.570 -7.000 1.00 0.00 N ATOM 903 CA SER A 57 -7.176 33.015 -7.110 1.00 0.00 C ATOM 904 C SER A 57 -7.361 31.714 -6.283 1.00 0.00 C ATOM 905 O SER A 57 -8.490 31.374 -5.908 1.00 0.00 O ATOM 906 CB SER A 57 -7.566 32.849 -8.625 1.00 0.00 C ATOM 907 OG SER A 57 -8.965 32.540 -8.875 1.00 0.00 O ATOM 0 H SER A 57 -5.216 33.415 -7.834 1.00 0.00 H new ATOM 0 HA SER A 57 -7.871 33.728 -6.666 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.314 33.770 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.953 32.058 -9.057 1.00 0.00 H new ATOM 0 HG SER A 57 -9.114 32.457 -9.840 1.00 0.00 H new ATOM 913 N ASP A 58 -6.261 30.962 -6.096 1.00 0.00 N ATOM 914 CA ASP A 58 -6.264 29.727 -5.285 1.00 0.00 C ATOM 915 C ASP A 58 -6.725 30.029 -3.881 1.00 0.00 C ATOM 916 O ASP A 58 -7.594 29.395 -3.298 1.00 0.00 O ATOM 917 CB ASP A 58 -4.764 29.158 -5.288 1.00 0.00 C ATOM 918 CG ASP A 58 -4.691 27.654 -5.148 1.00 0.00 C ATOM 919 OD1 ASP A 58 -3.555 27.146 -5.306 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.726 27.014 -4.919 1.00 0.00 O ATOM 0 H ASP A 58 -5.352 31.189 -6.498 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.950 28.987 -5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.273 29.453 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.207 29.619 -4.472 1.00 0.00 H new ATOM 925 N TYR A 59 -6.111 31.078 -3.353 1.00 0.00 N ATOM 926 CA TYR A 59 -6.413 31.640 -2.043 1.00 0.00 C ATOM 927 C TYR A 59 -7.616 32.598 -2.029 1.00 0.00 C ATOM 928 O TYR A 59 -8.133 32.931 -0.969 1.00 0.00 O ATOM 929 CB TYR A 59 -5.217 32.438 -1.490 1.00 0.00 C ATOM 930 CG TYR A 59 -4.058 31.521 -1.104 1.00 0.00 C ATOM 931 CD1 TYR A 59 -2.838 31.651 -1.735 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.213 30.582 -0.098 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.697 30.923 -1.311 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.100 29.831 0.346 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.816 29.994 -0.260 1.00 0.00 C ATOM 936 OH TYR A 59 -0.722 29.320 0.268 1.00 0.00 O ATOM 0 H TYR A 59 -5.366 31.577 -3.839 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.645 30.769 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.880 33.155 -2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.533 33.012 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.749 32.325 -2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.184 30.423 0.348 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.743 31.080 -1.792 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.222 29.125 1.154 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.020 28.725 0.987 1.00 0.00 H new ATOM 946 N ASN A 60 -8.009 33.086 -3.199 1.00 0.00 N ATOM 947 CA ASN A 60 -9.074 34.103 -3.396 1.00 0.00 C ATOM 948 C ASN A 60 -8.662 35.523 -2.864 1.00 0.00 C ATOM 949 O ASN A 60 -9.336 36.144 -2.056 1.00 0.00 O ATOM 950 CB ASN A 60 -10.458 33.684 -2.737 1.00 0.00 C ATOM 951 CG ASN A 60 -10.670 32.164 -2.882 1.00 0.00 C ATOM 952 OD1 ASN A 60 -10.741 31.453 -1.877 1.00 0.00 O ATOM 953 ND2 ASN A 60 -10.927 31.694 -4.050 1.00 0.00 N ATOM 0 H ASN A 60 -7.589 32.784 -4.078 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.206 34.157 -4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.468 33.962 -1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.276 34.221 -3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.196 30.716 -4.158 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.862 32.299 -4.869 1.00 0.00 H new ATOM 960 N ILE A 61 -7.504 36.062 -3.299 1.00 0.00 N ATOM 961 CA ILE A 61 -7.065 37.372 -2.825 1.00 0.00 C ATOM 962 C ILE A 61 -7.404 38.412 -3.844 1.00 0.00 C ATOM 963 O ILE A 61 -6.830 38.433 -4.911 1.00 0.00 O ATOM 964 CB ILE A 61 -5.556 37.366 -2.501 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.379 36.354 -1.288 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.059 38.789 -2.113 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.841 36.116 -1.102 1.00 0.00 C ATOM 0 H ILE A 61 -6.874 35.614 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.589 37.610 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.966 37.063 -3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.817 36.764 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.891 35.414 -1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.993 38.754 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.234 39.474 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.602 39.137 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.677 35.424 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.425 35.694 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.350 37.064 -0.884 1.00 0.00 H new ATOM 979 N GLN A 62 -8.300 39.350 -3.422 1.00 0.00 N ATOM 980 CA GLN A 62 -8.793 40.333 -4.336 1.00 0.00 C ATOM 981 C GLN A 62 -8.064 41.684 -4.372 1.00 0.00 C ATOM 982 O GLN A 62 -7.273 41.987 -3.516 1.00 0.00 O ATOM 983 CB GLN A 62 -10.250 40.626 -3.833 1.00 0.00 C ATOM 984 CG GLN A 62 -11.247 39.450 -3.860 1.00 0.00 C ATOM 985 CD GLN A 62 -10.897 38.366 -4.931 1.00 0.00 C ATOM 986 OE1 GLN A 62 -10.638 37.166 -4.624 1.00 0.00 O ATOM 987 NE2 GLN A 62 -10.872 38.825 -6.137 1.00 0.00 N ATOM 0 H GLN A 62 -8.667 39.418 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.676 39.926 -5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.188 40.994 -2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.662 41.434 -4.438 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.273 38.983 -2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.247 39.835 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.092 39.805 -6.314 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.632 38.208 -6.913 1.00 0.00 H new ATOM 996 N LYS A 63 -8.291 42.452 -5.470 1.00 0.00 N ATOM 997 CA LYS A 63 -7.680 43.788 -5.622 1.00 0.00 C ATOM 998 C LYS A 63 -7.669 44.716 -4.385 1.00 0.00 C ATOM 999 O LYS A 63 -8.517 44.679 -3.482 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.097 44.512 -6.936 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.636 44.601 -7.239 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.535 45.088 -6.109 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.963 45.353 -6.701 1.00 0.00 C ATOM 1004 NZ LYS A 63 -12.825 45.988 -5.641 1.00 0.00 N ATOM 0 H LYS A 63 -8.885 42.169 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.623 43.537 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.698 45.526 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.615 44.004 -7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.776 45.264 -8.093 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.979 43.612 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.585 44.343 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.131 45.999 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.894 46.006 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.410 44.418 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.774 46.167 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.898 45.349 -4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.399 46.887 -5.340 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.594 45.586 -4.369 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.336 46.560 -3.311 1.00 0.00 C ATOM 1020 C GLU A 64 -6.009 45.967 -1.927 1.00 0.00 C ATOM 1021 O GLU A 64 -6.053 46.688 -0.921 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.393 47.729 -3.275 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.349 48.643 -4.513 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.204 49.904 -4.088 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.387 49.761 -3.838 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -7.602 50.959 -3.927 1.00 0.00 O ATOM 0 H GLU A 64 -5.894 45.606 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.392 47.021 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.392 47.301 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.224 48.332 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.326 48.921 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.772 48.150 -5.388 1.00 0.00 H new ATOM 1033 N SER A 65 -5.548 44.690 -1.878 1.00 0.00 N ATOM 1034 CA SER A 65 -5.290 44.003 -0.610 1.00 0.00 C ATOM 1035 C SER A 65 -3.902 44.330 -0.180 1.00 0.00 C ATOM 1036 O SER A 65 -3.017 44.499 -1.036 1.00 0.00 O ATOM 1037 CB SER A 65 -5.348 42.447 -0.687 1.00 0.00 C ATOM 1038 OG SER A 65 -6.663 42.000 -0.915 1.00 0.00 O ATOM 0 H SER A 65 -5.352 44.127 -2.706 1.00 0.00 H new ATOM 0 HA SER A 65 -6.072 44.340 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.697 42.095 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.971 42.019 0.242 1.00 0.00 H new ATOM 0 HG SER A 65 -6.761 41.737 -1.854 1.00 0.00 H new ATOM 1044 N THR A 66 -3.644 44.386 1.153 1.00 0.00 N ATOM 1045 CA THR A 66 -2.295 44.591 1.644 1.00 0.00 C ATOM 1046 C THR A 66 -1.558 43.313 2.095 1.00 0.00 C ATOM 1047 O THR A 66 -1.914 42.592 3.004 1.00 0.00 O ATOM 1048 CB THR A 66 -2.174 45.689 2.753 1.00 0.00 C ATOM 1049 OG1 THR A 66 -2.572 46.924 2.185 1.00 0.00 O ATOM 1050 CG2 THR A 66 -0.711 45.843 3.224 1.00 0.00 C ATOM 0 H THR A 66 -4.353 44.292 1.880 1.00 0.00 H new ATOM 0 HA THR A 66 -1.788 44.953 0.750 1.00 0.00 H new ATOM 0 HB THR A 66 -2.795 45.404 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.507 47.631 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.656 46.612 3.994 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.358 44.895 3.631 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.085 46.130 2.379 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.451 43.015 1.418 1.00 0.00 N ATOM 1059 CA LEU A 67 0.328 41.807 1.692 1.00 0.00 C ATOM 1060 C LEU A 67 1.639 42.232 2.374 1.00 0.00 C ATOM 1061 O LEU A 67 2.189 43.291 2.133 1.00 0.00 O ATOM 1062 CB LEU A 67 0.659 41.057 0.369 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.571 40.483 -0.434 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -1.616 41.566 -0.961 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -0.074 39.580 -1.603 1.00 0.00 C ATOM 0 H LEU A 67 -0.071 43.597 0.671 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.247 41.138 2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.206 41.738 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.331 40.231 0.603 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.134 39.895 0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.420 41.064 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.031 42.113 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.112 42.263 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.932 39.189 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.550 40.168 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.508 38.751 -1.200 1.00 0.00 H new ATOM 1077 N HIS A 68 2.124 41.381 3.259 1.00 0.00 N ATOM 1078 CA HIS A 68 3.339 41.686 4.065 1.00 0.00 C ATOM 1079 C HIS A 68 4.572 40.891 3.686 1.00 0.00 C ATOM 1080 O HIS A 68 4.510 39.681 3.563 1.00 0.00 O ATOM 1081 CB HIS A 68 3.018 41.453 5.539 1.00 0.00 C ATOM 1082 CG HIS A 68 2.296 42.679 5.997 1.00 0.00 C ATOM 1083 ND1 HIS A 68 3.025 43.793 6.391 1.00 0.00 N ATOM 1084 CD2 HIS A 68 1.019 42.983 6.391 1.00 0.00 C ATOM 1085 CE1 HIS A 68 2.214 44.603 7.056 1.00 0.00 C ATOM 1086 NE2 HIS A 68 0.973 44.176 7.059 1.00 0.00 N ATOM 0 H HIS A 68 1.711 40.469 3.453 1.00 0.00 H new ATOM 0 HA HIS A 68 3.589 42.727 3.859 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.401 40.564 5.669 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.928 41.296 6.117 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.158 42.360 6.199 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.538 45.512 7.541 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.157 44.632 7.468 1.00 0.00 H new ATOM 1094 N LEU A 69 5.743 41.581 3.575 1.00 0.00 N ATOM 1095 CA LEU A 69 7.007 40.864 3.404 1.00 0.00 C ATOM 1096 C LEU A 69 7.556 40.371 4.762 1.00 0.00 C ATOM 1097 O LEU A 69 7.553 41.086 5.765 1.00 0.00 O ATOM 1098 CB LEU A 69 8.233 41.710 2.815 1.00 0.00 C ATOM 1099 CG LEU A 69 8.145 41.967 1.318 1.00 0.00 C ATOM 1100 CD1 LEU A 69 9.472 42.714 0.904 1.00 0.00 C ATOM 1101 CD2 LEU A 69 8.163 40.625 0.522 1.00 0.00 C ATOM 0 H LEU A 69 5.822 42.598 3.601 1.00 0.00 H new ATOM 0 HA LEU A 69 6.720 40.082 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.284 42.667 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.162 41.181 3.028 1.00 0.00 H new ATOM 0 HG LEU A 69 7.232 42.524 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.455 42.920 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.548 43.652 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.331 42.086 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.099 40.834 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.089 40.090 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.313 40.012 0.823 1.00 0.00 H new ATOM 1113 N VAL A 70 8.012 39.136 4.841 1.00 0.00 N ATOM 1114 CA VAL A 70 8.756 38.700 6.069 1.00 0.00 C ATOM 1115 C VAL A 70 9.761 37.602 5.730 1.00 0.00 C ATOM 1116 O VAL A 70 9.706 37.048 4.656 1.00 0.00 O ATOM 1117 CB VAL A 70 7.794 38.422 7.257 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.174 37.025 7.284 1.00 0.00 C ATOM 1119 CG2 VAL A 70 8.428 38.789 8.675 1.00 0.00 C ATOM 0 H VAL A 70 7.902 38.424 4.119 1.00 0.00 H new ATOM 0 HA VAL A 70 9.372 39.519 6.441 1.00 0.00 H new ATOM 0 HB VAL A 70 6.967 39.106 7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.520 36.934 8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.595 36.866 6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.965 36.277 7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.707 38.572 9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.329 38.197 8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.681 39.849 8.697 1.00 0.00 H new