USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 123:sc= 1.3 USER MOD Set 1.2: A 57 SER OG : rot -79:sc= 1.08 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.112 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.0718 X(o=0.041,f=0.11) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -178:sc= 0.559 (180deg=-0.138) USER MOD Set 4.2: A 12 THR OG1 : rot 150:sc= 0.581 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.219 (180deg=-0.219) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.25 (180deg=1.22) USER MOD Single : A 2 GLN : amide:sc= 0.419 K(o=0.42,f=-0.098) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 1.05 (180deg=-0.73!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0695) USER MOD Single : A 31 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.082) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.12) USER MOD Single : A 41 GLN : amide:sc= 2.1 K(o=2.1,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0938 K(o=-0.094,f=-2.4) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.296 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 62 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.23 K(o=0.23,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.811 -6.855 -4.755 1.00 9.67 N ATOM 2 CA MET A 1 11.587 -7.271 -3.365 1.00 10.38 C ATOM 3 C MET A 1 10.134 -7.665 -3.121 1.00 9.62 C ATOM 4 O MET A 1 9.218 -7.276 -3.804 1.00 9.62 O ATOM 5 CB MET A 1 12.025 -6.140 -2.463 1.00 13.77 C ATOM 6 CG MET A 1 11.217 -4.866 -2.336 1.00 16.29 C ATOM 7 SD MET A 1 12.027 -3.559 -1.380 1.00 17.17 S ATOM 8 CE MET A 1 10.635 -2.351 -1.451 1.00 16.11 C ATOM 0 H1 MET A 1 12.817 -6.627 -4.891 1.00 9.67 H new ATOM 0 H2 MET A 1 11.541 -7.628 -5.396 1.00 9.67 H new ATOM 0 H3 MET A 1 11.234 -6.015 -4.963 1.00 9.67 H new ATOM 0 HA MET A 1 12.175 -8.162 -3.146 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.120 -6.555 -1.460 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.025 -5.849 -2.784 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.999 -4.487 -3.335 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.261 -5.102 -1.869 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.913 -1.444 -0.914 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.419 -2.106 -2.491 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.750 -2.789 -0.990 1.00 16.11 H new ATOM 20 N GLN A 2 9.959 -8.508 -2.098 1.00 9.27 N ATOM 21 CA GLN A 2 8.723 -8.976 -1.533 1.00 9.07 C ATOM 22 C GLN A 2 8.275 -7.966 -0.466 1.00 8.72 C ATOM 23 O GLN A 2 9.084 -7.554 0.370 1.00 8.22 O ATOM 24 CB GLN A 2 8.817 -10.400 -0.978 1.00 14.46 C ATOM 25 CG GLN A 2 7.505 -10.907 -0.337 1.00 17.01 C ATOM 26 CD GLN A 2 7.498 -12.424 -0.264 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.635 -13.102 -1.267 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.358 -12.962 0.945 1.00 19.49 N ATOM 0 H GLN A 2 10.762 -8.907 -1.612 1.00 9.27 H new ATOM 0 HA GLN A 2 7.974 -9.039 -2.323 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.102 -11.076 -1.784 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.613 -10.438 -0.234 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.397 -10.489 0.664 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.652 -10.562 -0.920 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.246 -12.360 1.761 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.363 -13.976 1.056 1.00 19.49 H new ATOM 37 N ILE A 3 6.968 -7.680 -0.404 1.00 5.87 N ATOM 38 CA ILE A 3 6.422 -6.909 0.714 1.00 5.07 C ATOM 39 C ILE A 3 5.106 -7.511 1.225 1.00 4.01 C ATOM 40 O ILE A 3 4.490 -8.333 0.605 1.00 4.61 O ATOM 41 CB ILE A 3 6.355 -5.391 0.620 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.473 -4.950 -0.560 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.779 -4.721 0.491 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.212 -3.422 -0.774 1.00 10.83 C ATOM 0 H ILE A 3 6.282 -7.966 -1.102 1.00 5.87 H new ATOM 0 HA ILE A 3 7.215 -7.026 1.453 1.00 5.07 H new ATOM 0 HB ILE A 3 5.912 -5.051 1.556 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.924 -5.339 -1.473 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.505 -5.438 -0.449 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.667 -3.639 0.428 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.380 -4.973 1.364 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.274 -5.088 -0.408 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.573 -3.281 -1.646 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.720 -3.010 0.107 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.161 -2.910 -0.932 1.00 10.83 H new ATOM 56 N PHE A 4 4.711 -7.143 2.472 1.00 4.55 N ATOM 57 CA PHE A 4 3.551 -7.738 3.118 1.00 4.68 C ATOM 58 C PHE A 4 2.662 -6.564 3.332 1.00 5.30 C ATOM 59 O PHE A 4 3.064 -5.463 3.607 1.00 5.58 O ATOM 60 CB PHE A 4 3.927 -8.341 4.499 1.00 4.83 C ATOM 61 CG PHE A 4 4.899 -9.529 4.373 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.664 -10.608 3.516 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.112 -9.555 5.162 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.537 -11.660 3.393 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.049 -10.539 4.961 1.00 10.61 C ATOM 66 CZ PHE A 4 6.722 -11.688 4.146 1.00 8.90 C ATOM 0 H PHE A 4 5.189 -6.438 3.034 1.00 4.55 H new ATOM 0 HA PHE A 4 3.111 -8.544 2.531 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.380 -7.568 5.119 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.021 -8.668 5.009 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.759 -10.614 2.927 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.281 -8.797 5.912 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.312 -12.469 2.714 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.027 -10.455 5.410 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.374 -12.548 4.117 1.00 8.90 H new ATOM 76 N VAL A 5 1.298 -6.690 3.131 1.00 4.44 N ATOM 77 CA VAL A 5 0.381 -5.647 3.302 1.00 3.87 C ATOM 78 C VAL A 5 -0.708 -6.275 4.199 1.00 4.93 C ATOM 79 O VAL A 5 -1.371 -7.216 3.782 1.00 6.84 O ATOM 80 CB VAL A 5 -0.135 -5.024 2.052 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.088 -3.889 2.355 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.994 -4.342 1.192 1.00 9.13 C ATOM 0 H VAL A 5 0.863 -7.565 2.840 1.00 4.44 H new ATOM 0 HA VAL A 5 0.852 -4.775 3.755 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.604 -5.851 1.518 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.446 -3.456 1.421 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.934 -4.268 2.928 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.571 -3.124 2.935 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.555 -3.906 0.295 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.474 -3.558 1.778 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.736 -5.088 0.907 1.00 9.13 H new ATOM 92 N LYS A 6 -0.976 -5.718 5.408 1.00 6.04 N ATOM 93 CA LYS A 6 -1.972 -6.340 6.332 1.00 6.12 C ATOM 94 C LYS A 6 -3.321 -5.731 6.222 1.00 6.57 C ATOM 95 O LYS A 6 -3.369 -4.502 6.261 1.00 5.76 O ATOM 96 CB LYS A 6 -1.668 -6.425 7.821 1.00 7.45 C ATOM 97 CG LYS A 6 -0.656 -7.530 8.048 1.00 11.12 C ATOM 98 CD LYS A 6 -0.486 -7.585 9.613 1.00 14.54 C ATOM 99 CE LYS A 6 0.372 -8.785 10.141 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.192 -10.085 9.645 1.00 20.55 N ATOM 0 H LYS A 6 -0.536 -4.868 5.762 1.00 6.04 H new ATOM 0 HA LYS A 6 -1.916 -7.361 5.954 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.276 -5.474 8.182 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.580 -6.627 8.382 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.011 -8.482 7.653 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.290 -7.311 7.552 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.027 -6.654 9.947 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.474 -7.635 10.070 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.404 -8.678 9.808 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.387 -8.779 11.231 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.365 -10.874 10.030 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.180 -10.176 9.955 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.152 -10.107 8.606 1.00 20.55 H new ATOM 114 N THR A 7 -4.395 -6.484 5.944 1.00 7.41 N ATOM 115 CA THR A 7 -5.780 -5.961 6.010 1.00 7.48 C ATOM 116 C THR A 7 -6.366 -6.106 7.435 1.00 8.75 C ATOM 117 O THR A 7 -5.941 -6.848 8.363 1.00 8.58 O ATOM 118 CB THR A 7 -6.810 -6.591 5.052 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.247 -7.950 5.442 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.246 -6.664 3.565 1.00 9.17 C ATOM 0 H THR A 7 -4.337 -7.464 5.669 1.00 7.41 H new ATOM 0 HA THR A 7 -5.644 -4.925 5.701 1.00 7.48 H new ATOM 0 HB THR A 7 -7.675 -5.930 5.110 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.899 -8.283 4.791 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.995 -7.113 2.913 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.015 -5.658 3.214 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.341 -7.271 3.549 1.00 9.17 H new ATOM 128 N LEU A 8 -7.435 -5.316 7.705 1.00 9.84 N ATOM 129 CA LEU A 8 -8.066 -5.280 8.990 1.00 14.15 C ATOM 130 C LEU A 8 -8.848 -6.542 9.418 1.00 17.37 C ATOM 131 O LEU A 8 -8.979 -6.840 10.587 1.00 17.01 O ATOM 132 CB LEU A 8 -9.101 -4.055 8.929 1.00 16.63 C ATOM 133 CG LEU A 8 -8.422 -2.666 8.678 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.457 -1.577 8.271 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.601 -2.313 9.868 1.00 18.59 C ATOM 0 H LEU A 8 -7.863 -4.696 7.017 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.269 -5.192 9.728 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.826 -4.243 8.137 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.656 -4.014 9.866 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.751 -2.727 7.821 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.943 -0.630 8.107 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.962 -1.880 7.354 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.192 -1.458 9.067 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.122 -1.347 9.706 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.241 -2.258 10.748 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.837 -3.075 10.022 1.00 18.59 H new ATOM 147 N THR A 9 -9.192 -7.418 8.445 1.00 18.33 N ATOM 148 CA THR A 9 -9.956 -8.640 8.745 1.00 19.24 C ATOM 149 C THR A 9 -9.114 -9.849 8.919 1.00 19.48 C ATOM 150 O THR A 9 -9.606 -10.950 8.680 1.00 23.14 O ATOM 151 CB THR A 9 -11.102 -8.915 7.816 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.815 -9.025 6.419 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.029 -7.679 7.943 1.00 19.70 C ATOM 0 H THR A 9 -8.954 -7.299 7.460 1.00 18.33 H new ATOM 0 HA THR A 9 -10.399 -8.409 9.714 1.00 19.24 H new ATOM 0 HB THR A 9 -11.496 -9.887 8.113 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.644 -9.206 5.928 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.894 -7.804 7.291 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.364 -7.580 8.976 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.482 -6.782 7.651 1.00 19.70 H new ATOM 161 N GLY A 10 -7.789 -9.584 9.212 1.00 19.43 N ATOM 162 CA GLY A 10 -6.816 -10.577 9.620 1.00 18.74 C ATOM 163 C GLY A 10 -6.195 -11.413 8.474 1.00 17.62 C ATOM 164 O GLY A 10 -5.703 -12.526 8.751 1.00 19.74 O ATOM 0 H GLY A 10 -7.397 -8.644 9.159 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.011 -10.073 10.156 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.292 -11.258 10.326 1.00 18.74 H new ATOM 168 N LYS A 11 -6.119 -10.795 7.284 1.00 13.56 N ATOM 169 CA LYS A 11 -5.480 -11.306 6.085 1.00 11.91 C ATOM 170 C LYS A 11 -4.224 -10.573 5.722 1.00 10.18 C ATOM 171 O LYS A 11 -4.194 -9.351 5.887 1.00 9.10 O ATOM 172 CB LYS A 11 -6.485 -11.190 4.906 1.00 13.43 C ATOM 173 CG LYS A 11 -6.217 -12.233 3.774 1.00 16.69 C ATOM 174 CD LYS A 11 -7.104 -12.012 2.564 1.00 17.92 C ATOM 175 CE LYS A 11 -6.710 -10.804 1.626 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.359 -10.988 0.383 1.00 21.93 N ATOM 0 H LYS A 11 -6.529 -9.873 7.137 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.199 -12.340 6.283 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.498 -11.324 5.284 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.432 -10.185 4.487 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.172 -12.175 3.470 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.381 -13.238 4.163 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.104 -12.924 1.967 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.126 -11.858 2.911 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.010 -9.858 2.076 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.629 -10.764 1.490 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.800 -10.539 -0.370 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.451 -12.005 0.186 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.304 -10.556 0.418 1.00 21.93 H new ATOM 190 N THR A 12 -3.149 -11.223 5.191 1.00 9.63 N ATOM 191 CA THR A 12 -1.898 -10.575 4.879 1.00 9.85 C ATOM 192 C THR A 12 -1.575 -10.807 3.393 1.00 11.66 C ATOM 193 O THR A 12 -1.357 -11.931 2.957 1.00 12.33 O ATOM 194 CB THR A 12 -0.756 -11.023 5.704 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.024 -10.996 7.098 1.00 10.91 O ATOM 196 CG2 THR A 12 0.402 -9.993 5.464 1.00 9.63 C ATOM 0 H THR A 12 -3.155 -12.220 4.976 1.00 9.63 H new ATOM 0 HA THR A 12 -2.033 -9.517 5.104 1.00 9.85 H new ATOM 0 HB THR A 12 -0.522 -12.049 5.420 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.504 -11.696 7.545 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.273 -10.280 6.054 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.667 -9.983 4.407 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.072 -8.998 5.765 1.00 9.63 H new ATOM 204 N ILE A 13 -1.579 -9.723 2.658 1.00 10.42 N ATOM 205 CA ILE A 13 -1.409 -9.684 1.228 1.00 11.84 C ATOM 206 C ILE A 13 0.099 -9.719 0.891 1.00 10.55 C ATOM 207 O ILE A 13 0.853 -8.959 1.476 1.00 11.92 O ATOM 208 CB ILE A 13 -1.971 -8.378 0.533 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.408 -8.048 1.013 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.858 -8.394 -1.007 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.793 -6.632 0.587 1.00 16.46 C ATOM 0 H ILE A 13 -1.708 -8.796 3.063 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.966 -10.544 0.856 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.321 -7.566 0.857 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.113 -8.766 0.595 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.467 -8.138 2.098 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.263 -7.466 -1.411 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.811 -8.488 -1.294 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.420 -9.239 -1.404 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.804 -6.411 0.929 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.097 -5.918 1.027 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.753 -6.555 -0.500 1.00 16.46 H new ATOM 223 N THR A 14 0.590 -10.598 -0.057 1.00 9.39 N ATOM 224 CA THR A 14 1.998 -10.655 -0.544 1.00 9.63 C ATOM 225 C THR A 14 2.124 -10.028 -1.887 1.00 11.20 C ATOM 226 O THR A 14 1.407 -10.415 -2.764 1.00 11.63 O ATOM 227 CB THR A 14 2.549 -12.096 -0.620 1.00 10.38 C ATOM 228 OG1 THR A 14 2.366 -12.822 0.596 1.00 16.30 O ATOM 229 CG2 THR A 14 3.970 -12.144 -0.947 1.00 11.66 C ATOM 0 H THR A 14 -0.006 -11.295 -0.504 1.00 9.39 H new ATOM 0 HA THR A 14 2.586 -10.101 0.188 1.00 9.63 H new ATOM 0 HB THR A 14 1.971 -12.559 -1.420 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.729 -13.726 0.495 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.299 -13.182 -0.986 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.136 -11.674 -1.916 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.537 -11.612 -0.183 1.00 11.66 H new ATOM 237 N LEU A 15 3.125 -9.111 -2.059 1.00 8.29 N ATOM 238 CA LEU A 15 3.349 -8.479 -3.323 1.00 9.03 C ATOM 239 C LEU A 15 4.758 -8.592 -3.715 1.00 8.59 C ATOM 240 O LEU A 15 5.574 -8.681 -2.818 1.00 7.79 O ATOM 241 CB LEU A 15 3.024 -6.944 -3.285 1.00 11.08 C ATOM 242 CG LEU A 15 1.552 -6.483 -2.888 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.459 -4.961 -2.922 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.327 -7.027 -3.749 1.00 15.27 C ATOM 0 H LEU A 15 3.766 -8.820 -1.321 1.00 8.29 H new ATOM 0 HA LEU A 15 2.691 -8.985 -4.029 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.717 -6.477 -2.585 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.244 -6.535 -4.271 1.00 11.08 H new ATOM 0 HG LEU A 15 1.437 -6.929 -1.900 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.450 -4.652 -2.650 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.172 -4.537 -2.215 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.689 -4.605 -3.926 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.604 -6.622 -3.353 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.445 -6.716 -4.787 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.301 -8.115 -3.697 1.00 15.27 H new ATOM 256 N GLU A 16 5.031 -8.502 -5.071 1.00 11.04 N ATOM 257 CA GLU A 16 6.425 -8.326 -5.572 1.00 11.50 C ATOM 258 C GLU A 16 6.533 -6.907 -6.178 1.00 10.13 C ATOM 259 O GLU A 16 5.699 -6.447 -6.972 1.00 9.83 O ATOM 260 CB GLU A 16 6.739 -9.435 -6.659 1.00 17.22 C ATOM 261 CG GLU A 16 8.155 -9.204 -7.323 1.00 23.33 C ATOM 262 CD GLU A 16 8.406 -10.362 -8.277 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.725 -11.489 -7.816 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.176 -10.079 -9.506 1.00 28.90 O ATOM 0 H GLU A 16 4.321 -8.548 -5.802 1.00 11.04 H new ATOM 0 HA GLU A 16 7.150 -8.434 -4.765 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.709 -10.421 -6.195 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.967 -9.421 -7.429 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.177 -8.255 -7.858 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.933 -9.159 -6.561 1.00 23.33 H new ATOM 271 N VAL A 17 7.529 -6.111 -5.701 1.00 8.99 N ATOM 272 CA VAL A 17 7.665 -4.679 -5.919 1.00 8.85 C ATOM 273 C VAL A 17 9.113 -4.346 -6.103 1.00 8.04 C ATOM 274 O VAL A 17 9.975 -5.178 -5.807 1.00 8.99 O ATOM 275 CB VAL A 17 7.052 -3.802 -4.797 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.525 -4.191 -4.565 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.778 -3.928 -3.508 1.00 10.54 C ATOM 0 H VAL A 17 8.285 -6.487 -5.129 1.00 8.99 H new ATOM 0 HA VAL A 17 7.093 -4.444 -6.817 1.00 8.85 H new ATOM 0 HB VAL A 17 7.138 -2.768 -5.132 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.107 -3.568 -3.775 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.965 -4.033 -5.487 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.457 -5.239 -4.275 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.305 -3.292 -2.760 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.748 -4.965 -3.174 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.815 -3.620 -3.643 1.00 10.54 H new ATOM 287 N GLU A 18 9.450 -3.204 -6.638 1.00 7.29 N ATOM 288 CA GLU A 18 10.767 -2.676 -6.598 1.00 7.08 C ATOM 289 C GLU A 18 10.660 -1.382 -5.830 1.00 6.45 C ATOM 290 O GLU A 18 9.624 -0.703 -5.800 1.00 5.28 O ATOM 291 CB GLU A 18 11.316 -2.354 -8.046 1.00 10.28 C ATOM 292 CG GLU A 18 10.496 -1.342 -8.898 1.00 12.65 C ATOM 293 CD GLU A 18 11.152 -1.108 -10.264 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.236 -0.453 -10.295 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.473 -1.422 -11.240 1.00 14.33 O ATOM 0 H GLU A 18 8.786 -2.604 -7.127 1.00 7.29 H new ATOM 0 HA GLU A 18 11.448 -3.396 -6.144 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.331 -1.970 -7.947 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.382 -3.290 -8.600 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.482 -1.718 -9.038 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.414 -0.395 -8.364 1.00 12.65 H new ATOM 302 N PRO A 19 11.750 -0.886 -5.294 1.00 7.24 N ATOM 303 CA PRO A 19 11.789 0.369 -4.594 1.00 7.07 C ATOM 304 C PRO A 19 11.334 1.589 -5.379 1.00 6.65 C ATOM 305 O PRO A 19 10.845 2.475 -4.715 1.00 6.37 O ATOM 306 CB PRO A 19 13.180 0.609 -4.136 1.00 7.61 C ATOM 307 CG PRO A 19 13.676 -0.799 -3.902 1.00 8.16 C ATOM 308 CD PRO A 19 13.020 -1.610 -5.031 1.00 7.49 C ATOM 0 HA PRO A 19 11.073 0.262 -3.779 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.773 1.132 -4.886 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.213 1.210 -3.228 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.764 -0.853 -3.950 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.381 -1.169 -2.920 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.652 -1.645 -5.918 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.838 -2.641 -4.729 1.00 7.49 H new ATOM 316 N SER A 20 11.423 1.579 -6.769 1.00 6.80 N ATOM 317 CA SER A 20 10.920 2.614 -7.633 1.00 6.28 C ATOM 318 C SER A 20 9.487 2.431 -8.077 1.00 8.45 C ATOM 319 O SER A 20 9.031 3.077 -9.012 1.00 7.26 O ATOM 320 CB SER A 20 11.827 2.975 -8.820 1.00 8.57 C ATOM 321 OG SER A 20 13.143 3.389 -8.468 1.00 11.13 O ATOM 0 H SER A 20 11.864 0.815 -7.281 1.00 6.80 H new ATOM 0 HA SER A 20 10.932 3.478 -6.968 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.899 2.110 -9.479 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.352 3.773 -9.391 1.00 8.57 H new ATOM 0 HG SER A 20 13.649 3.597 -9.281 1.00 11.13 H new ATOM 327 N ASP A 21 8.689 1.613 -7.359 1.00 7.50 N ATOM 328 CA ASP A 21 7.212 1.710 -7.513 1.00 7.70 C ATOM 329 C ASP A 21 6.699 2.826 -6.666 1.00 7.08 C ATOM 330 O ASP A 21 7.201 3.121 -5.609 1.00 8.11 O ATOM 331 CB ASP A 21 6.590 0.349 -7.048 1.00 11.00 C ATOM 332 CG ASP A 21 6.917 -0.780 -8.002 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.776 -0.535 -9.261 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.261 -1.900 -7.684 1.00 18.03 O ATOM 0 H ASP A 21 9.015 0.909 -6.697 1.00 7.50 H new ATOM 0 HA ASP A 21 6.942 1.909 -8.550 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.961 0.102 -6.053 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.508 0.454 -6.968 1.00 11.00 H new ATOM 339 N THR A 22 5.688 3.560 -7.121 1.00 5.37 N ATOM 340 CA THR A 22 4.985 4.545 -6.289 1.00 6.01 C ATOM 341 C THR A 22 3.960 3.844 -5.372 1.00 8.01 C ATOM 342 O THR A 22 3.590 2.684 -5.663 1.00 8.11 O ATOM 343 CB THR A 22 4.231 5.651 -7.063 1.00 8.92 C ATOM 344 OG1 THR A 22 3.406 5.068 -8.006 1.00 10.22 O ATOM 345 CG2 THR A 22 5.250 6.455 -7.839 1.00 9.65 C ATOM 0 H THR A 22 5.330 3.493 -8.074 1.00 5.37 H new ATOM 0 HA THR A 22 5.783 5.031 -5.728 1.00 6.01 H new ATOM 0 HB THR A 22 3.662 6.262 -6.362 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.926 5.767 -8.497 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.744 7.244 -8.395 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.965 6.900 -7.147 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.776 5.801 -8.534 1.00 9.65 H new ATOM 353 N ILE A 23 3.471 4.488 -4.308 1.00 8.32 N ATOM 354 CA ILE A 23 2.352 4.003 -3.535 1.00 9.92 C ATOM 355 C ILE A 23 1.133 3.641 -4.299 1.00 10.01 C ATOM 356 O ILE A 23 0.512 2.582 -4.146 1.00 8.71 O ATOM 357 CB ILE A 23 1.956 4.988 -2.380 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.141 5.451 -1.537 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.954 4.417 -1.348 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.199 4.436 -1.088 1.00 12.30 C ATOM 0 H ILE A 23 3.854 5.369 -3.965 1.00 8.32 H new ATOM 0 HA ILE A 23 2.740 3.069 -3.128 1.00 9.92 H new ATOM 0 HB ILE A 23 1.508 5.803 -2.948 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.656 6.230 -2.100 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.738 5.920 -0.639 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.743 5.171 -0.590 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.029 4.141 -1.854 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.384 3.536 -0.872 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.964 4.943 -0.500 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.727 3.663 -0.481 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.659 3.979 -1.964 1.00 12.30 H new ATOM 372 N GLU A 24 0.771 4.479 -5.269 1.00 9.54 N ATOM 373 CA GLU A 24 -0.251 4.231 -6.241 1.00 11.81 C ATOM 374 C GLU A 24 0.095 2.926 -7.095 1.00 11.14 C ATOM 375 O GLU A 24 -0.826 2.147 -7.300 1.00 10.62 O ATOM 376 CB GLU A 24 -0.541 5.476 -7.108 1.00 19.24 C ATOM 377 CG GLU A 24 -1.974 5.327 -7.802 1.00 27.76 C ATOM 378 CD GLU A 24 -2.076 6.351 -8.950 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.046 6.515 -9.714 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.173 6.962 -9.103 1.00 34.80 O ATOM 0 H GLU A 24 1.214 5.390 -5.390 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.184 4.027 -5.717 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.516 6.374 -6.491 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.232 5.590 -7.868 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.105 4.315 -8.186 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.766 5.496 -7.073 1.00 27.76 H new ATOM 387 N ASN A 25 1.350 2.693 -7.550 1.00 9.43 N ATOM 388 CA ASN A 25 1.680 1.477 -8.238 1.00 10.96 C ATOM 389 C ASN A 25 1.455 0.222 -7.345 1.00 9.68 C ATOM 390 O ASN A 25 0.904 -0.780 -7.787 1.00 9.33 O ATOM 391 CB ASN A 25 3.195 1.346 -8.761 1.00 16.78 C ATOM 392 CG ASN A 25 3.336 1.945 -10.164 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.960 1.358 -11.036 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.757 3.140 -10.405 1.00 24.70 N ATOM 0 H ASN A 25 2.128 3.343 -7.441 1.00 9.43 H new ATOM 0 HA ASN A 25 1.010 1.525 -9.097 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.868 1.857 -8.073 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.490 0.297 -8.776 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.836 3.568 -11.327 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.240 3.615 -9.665 1.00 24.70 H new ATOM 401 N VAL A 26 1.855 0.252 -6.059 1.00 6.52 N ATOM 402 CA VAL A 26 1.501 -0.799 -5.099 1.00 5.53 C ATOM 403 C VAL A 26 -0.034 -0.934 -4.968 1.00 4.42 C ATOM 404 O VAL A 26 -0.528 -2.060 -5.060 1.00 3.40 O ATOM 405 CB VAL A 26 2.045 -0.424 -3.764 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.670 -1.450 -2.694 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.581 -0.251 -3.880 1.00 8.12 C ATOM 0 H VAL A 26 2.426 0.999 -5.664 1.00 6.52 H new ATOM 0 HA VAL A 26 1.915 -1.744 -5.449 1.00 5.53 H new ATOM 0 HB VAL A 26 1.602 0.520 -3.448 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.084 -1.142 -1.734 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.585 -1.515 -2.617 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.073 -2.425 -2.968 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.991 0.024 -2.908 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.029 -1.188 -4.211 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.805 0.533 -4.603 1.00 8.12 H new ATOM 417 N LYS A 27 -0.876 0.158 -4.899 1.00 2.64 N ATOM 418 CA LYS A 27 -2.344 0.123 -4.922 1.00 4.14 C ATOM 419 C LYS A 27 -2.925 -0.681 -6.097 1.00 5.58 C ATOM 420 O LYS A 27 -3.831 -1.485 -5.948 1.00 4.11 O ATOM 421 CB LYS A 27 -3.017 1.543 -4.923 1.00 3.97 C ATOM 422 CG LYS A 27 -2.718 2.414 -3.660 1.00 7.45 C ATOM 423 CD LYS A 27 -3.375 3.764 -3.593 1.00 9.02 C ATOM 424 CE LYS A 27 -2.834 4.669 -2.404 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.911 5.673 -2.056 1.00 15.47 N ATOM 0 H LYS A 27 -0.514 1.108 -4.824 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.586 -0.382 -3.987 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.685 2.086 -5.808 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.096 1.418 -5.013 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.017 1.847 -2.779 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.640 2.558 -3.595 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.217 4.285 -4.537 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.451 3.631 -3.479 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.591 4.055 -1.537 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.918 5.180 -2.700 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.508 6.421 -1.456 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.288 6.095 -2.929 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.679 5.195 -1.543 1.00 15.47 H new ATOM 439 N ALA A 28 -2.281 -0.502 -7.280 1.00 6.61 N ATOM 440 CA ALA A 28 -2.664 -1.216 -8.454 1.00 7.74 C ATOM 441 C ALA A 28 -2.507 -2.781 -8.453 1.00 9.17 C ATOM 442 O ALA A 28 -3.411 -3.519 -8.916 1.00 11.45 O ATOM 443 CB ALA A 28 -1.880 -0.669 -9.620 1.00 7.68 C ATOM 0 H ALA A 28 -1.498 0.138 -7.412 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.741 -1.056 -8.515 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.159 -1.203 -10.528 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.100 0.392 -9.740 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.814 -0.800 -9.435 1.00 7.68 H new ATOM 449 N LYS A 29 -1.372 -3.241 -7.959 1.00 8.96 N ATOM 450 CA LYS A 29 -1.056 -4.672 -7.644 1.00 7.90 C ATOM 451 C LYS A 29 -2.031 -5.295 -6.660 1.00 6.92 C ATOM 452 O LYS A 29 -2.525 -6.415 -6.918 1.00 6.87 O ATOM 453 CB LYS A 29 0.335 -4.726 -6.983 1.00 10.28 C ATOM 454 CG LYS A 29 1.466 -4.357 -7.946 1.00 14.94 C ATOM 455 CD LYS A 29 2.919 -4.348 -7.405 1.00 19.69 C ATOM 456 CE LYS A 29 3.767 -3.304 -8.139 1.00 22.63 C ATOM 457 NZ LYS A 29 3.848 -3.593 -9.531 1.00 24.98 N ATOM 0 H LYS A 29 -0.592 -2.619 -7.747 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.110 -5.224 -8.583 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.354 -4.046 -6.131 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.508 -5.729 -6.594 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.428 -5.052 -8.785 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.253 -3.365 -8.344 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.913 -4.132 -6.337 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.364 -5.336 -7.528 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.335 -2.314 -7.995 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.769 -3.279 -7.711 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.594 -3.012 -9.963 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.072 -4.600 -9.664 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.937 -3.379 -9.984 1.00 24.98 H new ATOM 471 N ILE A 30 -2.365 -4.538 -5.623 1.00 4.57 N ATOM 472 CA ILE A 30 -3.410 -4.842 -4.682 1.00 5.58 C ATOM 473 C ILE A 30 -4.770 -4.878 -5.350 1.00 7.26 C ATOM 474 O ILE A 30 -5.549 -5.826 -5.174 1.00 9.46 O ATOM 475 CB ILE A 30 -3.406 -3.884 -3.469 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.166 -4.253 -2.618 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.694 -3.938 -2.578 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.822 -3.209 -1.544 1.00 2.00 C ATOM 0 H ILE A 30 -1.889 -3.660 -5.415 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.202 -5.841 -4.298 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.379 -2.863 -3.850 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.341 -5.214 -2.135 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.308 -4.379 -3.278 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.596 -3.231 -1.754 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.564 -3.675 -3.180 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.819 -4.945 -2.180 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.943 -3.535 -0.988 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.615 -2.251 -2.021 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.664 -3.099 -0.860 1.00 2.00 H new ATOM 490 N GLN A 31 -5.100 -3.926 -6.277 1.00 7.06 N ATOM 491 CA GLN A 31 -6.419 -3.817 -6.880 1.00 8.67 C ATOM 492 C GLN A 31 -6.663 -4.940 -7.888 1.00 10.90 C ATOM 493 O GLN A 31 -7.735 -5.534 -7.958 1.00 9.63 O ATOM 494 CB GLN A 31 -6.677 -2.459 -7.706 1.00 9.12 C ATOM 495 CG GLN A 31 -7.974 -2.498 -8.594 1.00 10.76 C ATOM 496 CD GLN A 31 -8.291 -1.282 -9.411 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.559 -0.743 -10.214 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.530 -0.768 -9.339 1.00 14.76 N ATOM 0 H GLN A 31 -4.440 -3.223 -6.611 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.086 -3.855 -6.019 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.751 -1.627 -7.006 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.816 -2.263 -8.344 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.891 -3.347 -9.273 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.824 -2.694 -7.940 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.209 -1.163 -8.689 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.792 0.018 -9.935 1.00 14.76 H new ATOM 507 N ASP A 32 -5.543 -5.507 -8.510 1.00 10.93 N ATOM 508 CA ASP A 32 -5.567 -6.760 -9.307 1.00 14.01 C ATOM 509 C ASP A 32 -6.067 -7.949 -8.434 1.00 14.04 C ATOM 510 O ASP A 32 -6.786 -8.813 -8.925 1.00 13.39 O ATOM 511 CB ASP A 32 -4.172 -6.902 -9.977 1.00 18.01 C ATOM 512 CG ASP A 32 -4.094 -7.930 -11.070 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.849 -7.845 -12.053 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.303 -8.927 -10.984 1.00 26.29 O ATOM 0 H ASP A 32 -4.615 -5.087 -8.455 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.292 -6.746 -10.121 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.883 -5.935 -10.387 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.441 -7.154 -9.209 1.00 18.01 H new ATOM 519 N LYS A 33 -5.595 -8.005 -7.150 1.00 14.22 N ATOM 520 CA LYS A 33 -5.953 -9.053 -6.219 1.00 14.00 C ATOM 521 C LYS A 33 -7.249 -8.820 -5.502 1.00 12.37 C ATOM 522 O LYS A 33 -8.116 -9.705 -5.495 1.00 12.17 O ATOM 523 CB LYS A 33 -4.888 -9.178 -5.188 1.00 18.62 C ATOM 524 CG LYS A 33 -3.582 -9.742 -5.744 1.00 24.00 C ATOM 525 CD LYS A 33 -2.481 -9.942 -4.655 1.00 27.61 C ATOM 526 CE LYS A 33 -1.140 -10.397 -5.286 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.130 -11.783 -5.693 1.00 30.06 N ATOM 0 H LYS A 33 -4.957 -7.311 -6.760 1.00 14.22 H new ATOM 0 HA LYS A 33 -6.065 -9.956 -6.818 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.697 -8.198 -4.750 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.242 -9.823 -4.384 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.784 -10.698 -6.226 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.203 -9.070 -6.514 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.331 -9.010 -4.111 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.814 -10.684 -3.930 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.926 -9.772 -6.153 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.337 -10.233 -4.568 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.204 -12.017 -6.105 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.304 -12.389 -4.866 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.875 -11.942 -6.401 1.00 30.06 H new ATOM 541 N GLU A 34 -7.438 -7.619 -4.911 1.00 10.11 N ATOM 542 CA GLU A 34 -8.483 -7.399 -3.926 1.00 10.07 C ATOM 543 C GLU A 34 -9.708 -6.758 -4.578 1.00 9.32 C ATOM 544 O GLU A 34 -10.788 -6.759 -4.027 1.00 11.61 O ATOM 545 CB GLU A 34 -7.891 -6.516 -2.842 1.00 14.77 C ATOM 546 CG GLU A 34 -6.640 -7.095 -2.018 1.00 18.75 C ATOM 547 CD GLU A 34 -7.079 -8.356 -1.313 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.011 -8.296 -0.461 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.552 -9.423 -1.583 1.00 25.19 O ATOM 0 H GLU A 34 -6.871 -6.795 -5.110 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.824 -8.340 -3.494 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.585 -5.577 -3.303 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.682 -6.280 -2.131 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.808 -7.306 -2.690 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.288 -6.359 -1.295 1.00 18.75 H new ATOM 556 N GLY A 35 -9.520 -6.192 -5.772 1.00 7.22 N ATOM 557 CA GLY A 35 -10.621 -5.533 -6.416 1.00 6.29 C ATOM 558 C GLY A 35 -10.916 -4.136 -6.034 1.00 6.93 C ATOM 559 O GLY A 35 -12.009 -3.668 -6.360 1.00 7.41 O ATOM 0 H GLY A 35 -8.639 -6.183 -6.287 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.440 -5.554 -7.491 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.518 -6.125 -6.233 1.00 6.29 H new ATOM 563 N ILE A 36 -10.023 -3.481 -5.287 1.00 5.86 N ATOM 564 CA ILE A 36 -10.315 -2.278 -4.533 1.00 6.07 C ATOM 565 C ILE A 36 -9.745 -1.081 -5.240 1.00 6.36 C ATOM 566 O ILE A 36 -8.508 -1.113 -5.473 1.00 6.18 O ATOM 567 CB ILE A 36 -9.778 -2.328 -3.110 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.464 -3.531 -2.369 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.071 -0.996 -2.387 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.893 -3.835 -0.995 1.00 9.49 C ATOM 0 H ILE A 36 -9.055 -3.788 -5.193 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.400 -2.201 -4.468 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.697 -2.471 -3.116 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.528 -3.319 -2.267 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.375 -4.422 -2.990 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.683 -1.041 -1.369 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.590 -0.178 -2.923 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.147 -0.827 -2.358 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.426 -4.679 -0.558 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.835 -4.082 -1.087 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.007 -2.962 -0.352 1.00 9.49 H new ATOM 582 N PRO A 37 -10.485 -0.033 -5.627 1.00 8.65 N ATOM 583 CA PRO A 37 -9.967 1.140 -6.267 1.00 9.18 C ATOM 584 C PRO A 37 -8.813 1.804 -5.600 1.00 9.85 C ATOM 585 O PRO A 37 -8.963 2.002 -4.390 1.00 8.51 O ATOM 586 CB PRO A 37 -11.127 2.101 -6.310 1.00 11.42 C ATOM 587 CG PRO A 37 -12.408 1.247 -6.422 1.00 9.27 C ATOM 588 CD PRO A 37 -11.990 -0.032 -5.659 1.00 8.33 C ATOM 0 HA PRO A 37 -9.568 0.843 -7.237 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.151 2.719 -5.412 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.038 2.778 -7.160 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.268 1.735 -5.965 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.673 1.039 -7.458 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.400 -0.034 -4.649 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.369 -0.924 -6.158 1.00 8.33 H new ATOM 596 N PRO A 38 -7.721 2.181 -6.274 1.00 8.71 N ATOM 597 CA PRO A 38 -6.691 3.046 -5.647 1.00 9.08 C ATOM 598 C PRO A 38 -7.128 4.237 -4.809 1.00 9.28 C ATOM 599 O PRO A 38 -6.479 4.491 -3.762 1.00 6.50 O ATOM 600 CB PRO A 38 -5.709 3.336 -6.808 1.00 10.31 C ATOM 601 CG PRO A 38 -5.805 2.120 -7.699 1.00 10.81 C ATOM 602 CD PRO A 38 -7.257 1.634 -7.556 1.00 12.00 C ATOM 0 HA PRO A 38 -6.224 2.524 -4.811 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.986 4.244 -7.344 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.693 3.480 -6.441 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.573 2.370 -8.734 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.099 1.349 -7.391 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.874 1.988 -8.382 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.310 0.545 -7.562 1.00 12.00 H new ATOM 610 N ASP A 39 -8.203 4.899 -5.220 1.00 11.20 N ATOM 611 CA ASP A 39 -8.796 5.932 -4.390 1.00 14.96 C ATOM 612 C ASP A 39 -9.365 5.505 -3.053 1.00 13.99 C ATOM 613 O ASP A 39 -9.099 6.195 -2.089 1.00 13.75 O ATOM 614 CB ASP A 39 -9.681 6.870 -5.259 1.00 24.16 C ATOM 615 CG ASP A 39 -9.801 8.202 -4.623 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.578 8.380 -3.669 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.114 9.097 -5.133 1.00 34.22 O ATOM 0 H ASP A 39 -8.674 4.740 -6.111 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.970 6.533 -4.009 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.246 6.973 -6.253 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.670 6.431 -5.388 1.00 24.16 H new ATOM 622 N GLN A 40 -10.070 4.392 -2.976 1.00 11.60 N ATOM 623 CA GLN A 40 -10.605 3.749 -1.738 1.00 10.76 C ATOM 624 C GLN A 40 -9.478 3.315 -0.883 1.00 8.01 C ATOM 625 O GLN A 40 -9.573 3.511 0.313 1.00 8.96 O ATOM 626 CB GLN A 40 -11.435 2.534 -2.135 1.00 11.14 C ATOM 627 CG GLN A 40 -12.990 2.755 -1.991 1.00 14.85 C ATOM 628 CD GLN A 40 -13.529 2.964 -0.604 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.592 4.072 -0.142 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.770 1.872 0.110 1.00 18.16 N ATOM 0 H GLN A 40 -10.312 3.862 -3.813 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.223 4.459 -1.188 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.208 2.272 -3.168 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.139 1.685 -1.519 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.265 3.620 -2.594 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.495 1.891 -2.423 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.704 0.952 -0.326 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.021 1.952 1.095 1.00 18.16 H new ATOM 639 N GLN A 41 -8.379 2.736 -1.481 1.00 6.52 N ATOM 640 CA GLN A 41 -7.188 2.299 -0.783 1.00 3.87 C ATOM 641 C GLN A 41 -6.480 3.467 -0.075 1.00 4.79 C ATOM 642 O GLN A 41 -5.917 4.352 -0.702 1.00 6.34 O ATOM 643 CB GLN A 41 -6.216 1.541 -1.601 1.00 4.20 C ATOM 644 CG GLN A 41 -6.807 0.299 -2.312 1.00 3.20 C ATOM 645 CD GLN A 41 -5.761 -0.437 -3.098 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.632 -0.480 -2.559 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.052 -0.866 -4.307 1.00 7.13 N ATOM 0 H GLN A 41 -8.331 2.572 -2.487 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.567 1.593 -0.044 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.794 2.208 -2.353 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.393 1.221 -0.962 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.245 -0.371 -1.572 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.612 0.609 -2.978 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.006 -0.788 -4.660 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.324 -1.277 -4.891 1.00 7.13 H new ATOM 656 N ARG A 42 -6.371 3.325 1.248 1.00 5.73 N ATOM 657 CA ARG A 42 -5.305 4.051 1.961 1.00 6.97 C ATOM 658 C ARG A 42 -4.304 3.078 2.559 1.00 7.15 C ATOM 659 O ARG A 42 -4.716 2.092 3.161 1.00 7.33 O ATOM 660 CB ARG A 42 -5.819 5.016 3.065 1.00 13.23 C ATOM 661 CG ARG A 42 -5.811 6.489 2.559 1.00 21.27 C ATOM 662 CD ARG A 42 -6.903 6.829 1.570 1.00 26.14 C ATOM 663 NE ARG A 42 -6.633 8.156 0.895 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.687 9.367 1.442 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.892 9.526 2.747 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.635 10.460 0.674 1.00 36.39 N ATOM 0 H ARG A 42 -6.974 2.744 1.830 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.825 4.674 1.206 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.830 4.733 3.360 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.192 4.928 3.952 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.900 7.153 3.419 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.845 6.694 2.096 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.975 6.043 0.818 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.864 6.867 2.083 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.381 8.117 -0.093 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.011 8.710 3.348 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.930 10.464 3.147 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.553 10.368 -0.339 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.677 11.386 1.101 1.00 36.39 H new ATOM 680 N LEU A 43 -3.004 3.396 2.400 1.00 4.65 N ATOM 681 CA LEU A 43 -1.966 2.523 2.911 1.00 3.51 C ATOM 682 C LEU A 43 -1.175 3.183 4.006 1.00 5.56 C ATOM 683 O LEU A 43 -0.685 4.311 3.886 1.00 4.19 O ATOM 684 CB LEU A 43 -1.059 2.095 1.741 1.00 3.74 C ATOM 685 CG LEU A 43 -0.018 1.033 1.945 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.720 -0.297 2.369 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.768 0.794 0.650 1.00 6.41 C ATOM 0 H LEU A 43 -2.667 4.236 1.930 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.427 1.640 3.354 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.709 1.760 0.933 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.545 2.988 1.386 1.00 3.74 H new ATOM 0 HG LEU A 43 0.673 1.361 2.722 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.031 -1.073 2.519 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.269 -0.139 3.297 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.412 -0.608 1.587 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.518 0.021 0.817 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.085 0.473 -0.136 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.261 1.718 0.347 1.00 6.41 H new ATOM 699 N ILE A 44 -1.001 2.506 5.156 1.00 4.58 N ATOM 700 CA ILE A 44 -0.441 3.092 6.380 1.00 5.55 C ATOM 701 C ILE A 44 0.875 2.335 6.683 1.00 5.46 C ATOM 702 O ILE A 44 0.875 1.093 6.611 1.00 6.04 O ATOM 703 CB ILE A 44 -1.379 2.885 7.542 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.755 3.527 7.182 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.736 3.408 8.906 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.603 3.619 8.445 1.00 13.90 C ATOM 0 H ILE A 44 -1.250 1.522 5.259 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.281 4.161 6.242 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.552 1.824 7.720 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.608 4.519 6.754 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.265 2.927 6.428 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.437 3.245 9.725 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.188 2.864 9.105 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.519 4.473 8.821 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.567 4.067 8.204 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.758 2.620 8.853 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.091 4.236 9.183 1.00 13.90 H new ATOM 718 N PHE A 45 1.905 3.087 6.998 1.00 6.75 N ATOM 719 CA PHE A 45 3.114 2.526 7.566 1.00 4.70 C ATOM 720 C PHE A 45 3.806 3.571 8.440 1.00 6.34 C ATOM 721 O PHE A 45 3.545 4.746 8.329 1.00 5.45 O ATOM 722 CB PHE A 45 4.075 2.045 6.399 1.00 5.51 C ATOM 723 CG PHE A 45 5.469 1.710 6.821 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.799 0.486 7.484 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.507 2.685 6.672 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.131 0.176 7.790 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.780 2.327 6.995 1.00 6.64 C ATOM 728 CZ PHE A 45 8.137 1.102 7.576 1.00 6.84 C ATOM 0 H PHE A 45 1.931 4.099 6.870 1.00 6.75 H new ATOM 0 HA PHE A 45 2.863 1.667 8.188 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.635 1.167 5.926 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.120 2.827 5.641 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.014 -0.206 7.751 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.286 3.679 6.313 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.375 -0.794 8.197 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.569 3.035 6.790 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.160 0.889 7.847 1.00 6.84 H new ATOM 738 N ALA A 46 4.624 3.102 9.431 1.00 6.53 N ATOM 739 CA ALA A 46 5.372 3.935 10.313 1.00 7.15 C ATOM 740 C ALA A 46 4.520 5.085 10.987 1.00 9.00 C ATOM 741 O ALA A 46 4.975 6.244 11.081 1.00 11.15 O ATOM 742 CB ALA A 46 6.748 4.406 9.706 1.00 8.99 C ATOM 0 H ALA A 46 4.757 2.107 9.609 1.00 6.53 H new ATOM 0 HA ALA A 46 5.648 3.295 11.151 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.267 5.036 10.428 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.362 3.535 9.477 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.568 4.973 8.793 1.00 8.99 H new ATOM 748 N GLY A 47 3.206 4.763 11.424 1.00 9.35 N ATOM 749 CA GLY A 47 2.264 5.684 12.064 1.00 11.68 C ATOM 750 C GLY A 47 1.655 6.730 11.153 1.00 11.14 C ATOM 751 O GLY A 47 0.920 7.600 11.615 1.00 13.93 O ATOM 0 H GLY A 47 2.819 3.826 11.314 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.458 5.101 12.509 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.777 6.192 12.880 1.00 11.68 H new ATOM 755 N LYS A 48 1.899 6.657 9.851 1.00 10.47 N ATOM 756 CA LYS A 48 1.388 7.667 8.925 1.00 8.82 C ATOM 757 C LYS A 48 0.786 7.107 7.677 1.00 7.68 C ATOM 758 O LYS A 48 1.037 5.979 7.354 1.00 6.47 O ATOM 759 CB LYS A 48 2.567 8.656 8.549 1.00 9.74 C ATOM 760 CG LYS A 48 3.819 7.939 7.907 1.00 14.14 C ATOM 761 CD LYS A 48 5.068 8.868 7.756 1.00 16.32 C ATOM 762 CE LYS A 48 6.208 8.105 7.072 1.00 20.04 C ATOM 763 NZ LYS A 48 7.317 9.079 6.845 1.00 23.92 N ATOM 0 H LYS A 48 2.444 5.915 9.411 1.00 10.47 H new ATOM 0 HA LYS A 48 0.578 8.184 9.440 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.192 9.405 7.852 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.884 9.186 9.447 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.089 7.080 8.521 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.542 7.555 6.925 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.807 9.750 7.171 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.391 9.219 8.736 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.545 7.277 7.695 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.872 7.677 6.127 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.113 8.597 6.380 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.980 9.854 6.239 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.632 9.466 7.758 1.00 23.92 H new ATOM 777 N GLN A 49 0.057 7.843 6.918 1.00 8.89 N ATOM 778 CA GLN A 49 -0.326 7.368 5.574 1.00 7.18 C ATOM 779 C GLN A 49 0.808 7.565 4.551 1.00 8.23 C ATOM 780 O GLN A 49 1.489 8.547 4.603 1.00 9.70 O ATOM 781 CB GLN A 49 -1.540 8.124 5.067 1.00 11.67 C ATOM 782 CG GLN A 49 -2.748 7.823 6.017 1.00 15.82 C ATOM 783 CD GLN A 49 -4.110 8.214 5.400 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.208 8.722 4.293 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.183 7.886 6.133 1.00 20.67 N ATOM 0 H GLN A 49 -0.297 8.766 7.169 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.546 6.305 5.673 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.336 9.194 5.042 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.776 7.821 4.047 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.757 6.761 6.260 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.611 8.363 6.954 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -5.062 7.463 7.053 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -6.121 8.059 5.770 1.00 20.67 H new ATOM 794 N LEU A 50 0.934 6.665 3.595 1.00 6.51 N ATOM 795 CA LEU A 50 1.893 6.816 2.515 1.00 7.41 C ATOM 796 C LEU A 50 1.162 7.501 1.371 1.00 8.27 C ATOM 797 O LEU A 50 -0.019 7.224 1.068 1.00 8.34 O ATOM 798 CB LEU A 50 2.335 5.432 2.047 1.00 7.13 C ATOM 799 CG LEU A 50 3.012 4.570 3.101 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.227 3.205 2.478 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.356 5.046 3.679 1.00 9.11 C ATOM 0 H LEU A 50 0.378 5.812 3.544 1.00 6.51 H new ATOM 0 HA LEU A 50 2.763 7.388 2.837 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.462 4.898 1.672 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.019 5.553 1.207 1.00 7.13 H new ATOM 0 HG LEU A 50 2.340 4.599 3.959 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.712 2.548 3.200 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.265 2.781 2.191 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.858 3.303 1.595 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.710 4.326 4.417 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.088 5.132 2.876 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.224 6.018 4.155 1.00 9.11 H new ATOM 813 N GLU A 51 1.691 8.524 0.705 1.00 9.43 N ATOM 814 CA GLU A 51 0.992 9.360 -0.195 1.00 11.90 C ATOM 815 C GLU A 51 1.147 8.937 -1.649 1.00 11.49 C ATOM 816 O GLU A 51 2.281 8.609 -2.051 1.00 9.88 O ATOM 817 CB GLU A 51 1.652 10.757 0.026 1.00 16.56 C ATOM 818 CG GLU A 51 1.270 11.823 -1.041 1.00 26.06 C ATOM 819 CD GLU A 51 1.905 13.158 -0.788 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.693 13.675 0.364 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.691 13.664 -1.589 1.00 32.13 O ATOM 0 H GLU A 51 2.672 8.784 0.802 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.082 9.333 -0.009 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.368 11.128 1.011 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.735 10.637 0.031 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.568 11.466 -2.027 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.186 11.940 -1.059 1.00 26.06 H new ATOM 828 N ASP A 52 0.011 8.888 -2.417 1.00 12.71 N ATOM 829 CA ASP A 52 -0.041 8.121 -3.696 1.00 16.56 C ATOM 830 C ASP A 52 1.055 8.349 -4.751 1.00 15.83 C ATOM 831 O ASP A 52 1.527 7.358 -5.354 1.00 17.21 O ATOM 832 CB ASP A 52 -1.468 8.253 -4.357 1.00 21.05 C ATOM 833 CG ASP A 52 -1.719 9.577 -5.056 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.823 10.632 -4.386 1.00 25.82 O ATOM 835 OD2 ASP A 52 -1.732 9.578 -6.361 1.00 28.37 O ATOM 0 H ASP A 52 -0.860 9.361 -2.175 1.00 12.71 H new ATOM 0 HA ASP A 52 0.172 7.107 -3.359 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.596 7.446 -5.078 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -2.226 8.115 -3.586 1.00 21.05 H new ATOM 840 N GLY A 53 1.549 9.624 -4.920 1.00 15.00 N ATOM 841 CA GLY A 53 2.669 9.852 -5.871 1.00 11.77 C ATOM 842 C GLY A 53 4.071 9.543 -5.319 1.00 11.10 C ATOM 843 O GLY A 53 4.996 9.693 -6.060 1.00 11.25 O ATOM 0 H GLY A 53 1.207 10.455 -4.437 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.502 9.240 -6.757 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.644 10.893 -6.193 1.00 11.77 H new ATOM 847 N ARG A 54 4.262 9.263 -4.045 1.00 8.53 N ATOM 848 CA ARG A 54 5.589 8.956 -3.529 1.00 9.05 C ATOM 849 C ARG A 54 6.097 7.559 -3.743 1.00 8.96 C ATOM 850 O ARG A 54 5.293 6.631 -3.836 1.00 11.60 O ATOM 851 CB ARG A 54 5.504 9.205 -1.991 1.00 7.97 C ATOM 852 CG ARG A 54 5.056 10.616 -1.479 1.00 9.62 C ATOM 853 CD ARG A 54 5.941 11.718 -2.094 1.00 12.20 C ATOM 854 NE ARG A 54 5.277 13.002 -1.672 1.00 18.23 N ATOM 855 CZ ARG A 54 5.795 14.273 -1.799 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.040 14.555 -2.084 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.912 15.254 -1.528 1.00 23.38 N ATOM 0 H ARG A 54 3.519 9.241 -3.346 1.00 8.53 H new ATOM 0 HA ARG A 54 6.292 9.583 -4.077 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.816 8.469 -1.575 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.487 8.997 -1.568 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.013 10.790 -1.741 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.122 10.653 -0.392 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.965 11.659 -1.725 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.988 11.632 -3.180 1.00 12.20 H new ATOM 0 HE ARG A 54 4.352 12.923 -1.250 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.713 13.802 -2.231 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.338 15.528 -2.159 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.957 15.020 -1.257 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.199 16.231 -1.594 1.00 23.38 H new ATOM 871 N THR A 55 7.368 7.299 -3.900 1.00 9.05 N ATOM 872 CA THR A 55 7.902 5.923 -4.022 1.00 9.03 C ATOM 873 C THR A 55 8.190 5.293 -2.629 1.00 8.15 C ATOM 874 O THR A 55 8.247 5.952 -1.569 1.00 5.91 O ATOM 875 CB THR A 55 9.165 5.885 -4.892 1.00 11.15 C ATOM 876 OG1 THR A 55 10.205 6.702 -4.382 1.00 11.95 O ATOM 877 CG2 THR A 55 8.870 6.129 -6.385 1.00 11.71 C ATOM 0 H THR A 55 8.084 8.023 -3.950 1.00 9.05 H new ATOM 0 HA THR A 55 7.130 5.328 -4.511 1.00 9.03 H new ATOM 0 HB THR A 55 9.543 4.864 -4.836 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.006 6.157 -4.234 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.801 6.091 -6.951 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.190 5.360 -6.752 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.410 7.109 -6.510 1.00 11.71 H new ATOM 885 N LEU A 56 8.327 3.925 -2.660 1.00 6.91 N ATOM 886 CA LEU A 56 8.734 3.136 -1.524 1.00 8.29 C ATOM 887 C LEU A 56 10.148 3.531 -1.049 1.00 8.05 C ATOM 888 O LEU A 56 10.426 3.616 0.143 1.00 10.17 O ATOM 889 CB LEU A 56 8.750 1.611 -1.851 1.00 6.60 C ATOM 890 CG LEU A 56 7.426 0.896 -2.263 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.811 -0.519 -2.690 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.416 0.934 -1.114 1.00 8.64 C ATOM 0 H LEU A 56 8.148 3.369 -3.497 1.00 6.91 H new ATOM 0 HA LEU A 56 8.002 3.334 -0.741 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.467 1.458 -2.657 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.141 1.094 -0.975 1.00 6.60 H new ATOM 0 HG LEU A 56 6.928 1.397 -3.093 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.916 -1.065 -2.989 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.504 -0.470 -3.530 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.288 -1.034 -1.856 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.499 0.431 -1.419 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.835 0.428 -0.244 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.194 1.970 -0.859 1.00 8.64 H new ATOM 904 N SER A 57 11.078 3.807 -2.030 1.00 8.92 N ATOM 905 CA SER A 57 12.339 4.482 -1.827 1.00 9.00 C ATOM 906 C SER A 57 12.291 5.806 -1.147 1.00 9.44 C ATOM 907 O SER A 57 13.172 6.067 -0.351 1.00 10.91 O ATOM 908 CB SER A 57 13.135 4.552 -3.166 1.00 10.32 C ATOM 909 OG SER A 57 12.428 5.161 -4.225 1.00 13.59 O ATOM 0 H SER A 57 10.930 3.541 -3.004 1.00 8.92 H new ATOM 0 HA SER A 57 12.865 3.860 -1.103 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.061 5.102 -2.998 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.414 3.541 -3.464 1.00 10.32 H new ATOM 0 HG SER A 57 11.791 4.520 -4.604 1.00 13.59 H new ATOM 915 N ASP A 58 11.268 6.645 -1.471 1.00 9.11 N ATOM 916 CA ASP A 58 11.168 7.907 -0.796 1.00 7.91 C ATOM 917 C ASP A 58 10.836 7.675 0.704 1.00 9.12 C ATOM 918 O ASP A 58 11.078 8.545 1.557 1.00 8.61 O ATOM 919 CB ASP A 58 10.086 8.703 -1.502 1.00 8.41 C ATOM 920 CG ASP A 58 10.317 10.163 -1.339 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.428 10.669 -0.205 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.388 10.844 -2.374 1.00 11.70 O ATOM 0 H ASP A 58 10.547 6.456 -2.167 1.00 9.11 H new ATOM 0 HA ASP A 58 12.107 8.460 -0.829 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.073 8.448 -2.562 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.109 8.437 -1.098 1.00 8.41 H new ATOM 927 N TYR A 59 10.379 6.438 1.048 1.00 7.97 N ATOM 928 CA TYR A 59 10.084 6.132 2.483 1.00 8.45 C ATOM 929 C TYR A 59 11.216 5.287 3.069 1.00 10.98 C ATOM 930 O TYR A 59 11.115 4.949 4.241 1.00 12.95 O ATOM 931 CB TYR A 59 8.716 5.345 2.584 1.00 7.94 C ATOM 932 CG TYR A 59 7.640 6.323 2.389 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.500 7.436 3.244 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.806 6.169 1.267 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.394 8.316 3.048 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.927 7.200 0.984 1.00 6.52 C ATOM 937 CZ TYR A 59 5.594 8.162 1.910 1.00 6.76 C ATOM 938 OH TYR A 59 4.573 9.077 1.631 1.00 7.63 O ATOM 0 H TYR A 59 10.213 5.673 0.394 1.00 7.97 H new ATOM 0 HA TYR A 59 10.005 7.062 3.046 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.666 4.561 1.828 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.623 4.858 3.555 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.216 7.619 4.032 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.850 5.283 0.652 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.177 9.091 3.768 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.486 7.251 -0.000 1.00 6.52 H new ATOM 0 HH TYR A 59 4.818 9.958 1.984 1.00 7.63 H new ATOM 948 N ASN A 60 12.210 4.875 2.246 1.00 12.38 N ATOM 949 CA ASN A 60 13.275 3.904 2.537 1.00 13.94 C ATOM 950 C ASN A 60 12.665 2.644 3.076 1.00 14.16 C ATOM 951 O ASN A 60 13.092 2.113 4.101 1.00 14.26 O ATOM 952 CB ASN A 60 14.398 4.451 3.434 1.00 19.23 C ATOM 953 CG ASN A 60 15.216 5.457 2.586 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.931 5.059 1.657 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.082 6.752 2.936 1.00 24.09 N ATOM 0 H ASN A 60 12.288 5.242 1.297 1.00 12.38 H new ATOM 0 HA ASN A 60 13.781 3.682 1.597 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.982 4.940 4.315 1.00 19.23 H new ATOM 0 HB3 ASN A 60 15.035 3.641 3.790 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.588 7.474 2.423 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.474 7.010 3.714 1.00 24.09 H new ATOM 962 N ILE A 61 11.594 2.084 2.426 1.00 11.08 N ATOM 963 CA ILE A 61 10.913 0.861 2.774 1.00 11.78 C ATOM 964 C ILE A 61 11.677 -0.295 2.171 1.00 13.74 C ATOM 965 O ILE A 61 12.295 -0.157 1.077 1.00 14.60 O ATOM 966 CB ILE A 61 9.404 0.830 2.336 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.668 1.639 3.432 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.699 -0.569 2.309 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.308 2.158 2.944 1.00 11.42 C ATOM 0 H ILE A 61 11.185 2.526 1.602 1.00 11.08 H new ATOM 0 HA ILE A 61 10.892 0.786 3.861 1.00 11.78 H new ATOM 0 HB ILE A 61 9.367 1.201 1.312 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.523 1.011 4.311 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.288 2.481 3.740 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.664 -0.449 1.990 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.219 -1.225 1.611 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.723 -1.008 3.307 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.825 2.720 3.743 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.455 2.808 2.081 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.677 1.315 2.661 1.00 11.42 H new ATOM 981 N GLN A 62 11.755 -1.403 2.870 1.00 13.97 N ATOM 982 CA GLN A 62 12.674 -2.483 2.665 1.00 15.52 C ATOM 983 C GLN A 62 11.979 -3.784 2.397 1.00 13.94 C ATOM 984 O GLN A 62 10.801 -4.003 2.662 1.00 12.15 O ATOM 985 CB GLN A 62 13.561 -2.685 3.917 1.00 19.53 C ATOM 986 CG GLN A 62 14.453 -1.491 4.273 1.00 26.38 C ATOM 987 CD GLN A 62 15.666 -1.559 3.395 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.464 -1.321 2.190 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.907 -1.810 3.815 1.00 32.71 N ATOM 0 H GLN A 62 11.127 -1.580 3.654 1.00 13.97 H new ATOM 0 HA GLN A 62 13.272 -2.208 1.796 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.918 -2.906 4.769 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.193 -3.559 3.760 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.919 -0.553 4.118 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.738 -1.525 5.325 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.082 -2.006 4.801 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.681 -1.806 3.151 1.00 32.71 H new ATOM 998 N LYS A 63 12.774 -4.689 1.840 1.00 11.73 N ATOM 999 CA LYS A 63 12.419 -6.051 1.548 1.00 11.97 C ATOM 1000 C LYS A 63 11.774 -6.783 2.799 1.00 10.41 C ATOM 1001 O LYS A 63 12.271 -6.767 3.950 1.00 9.59 O ATOM 1002 CB LYS A 63 13.641 -6.910 1.058 1.00 13.73 C ATOM 1003 CG LYS A 63 14.871 -6.952 1.965 1.00 16.98 C ATOM 1004 CD LYS A 63 16.110 -7.600 1.347 1.00 20.19 C ATOM 1005 CE LYS A 63 17.390 -7.509 2.180 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.454 -8.242 1.530 1.00 25.97 N ATOM 0 H LYS A 63 13.733 -4.470 1.570 1.00 11.73 H new ATOM 0 HA LYS A 63 11.688 -5.980 0.743 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.297 -7.933 0.907 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.952 -6.532 0.084 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.121 -5.933 2.259 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.613 -7.492 2.876 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.893 -8.652 1.161 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.295 -7.137 0.378 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.679 -6.466 2.305 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.215 -7.913 3.177 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.320 -8.176 2.101 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.179 -9.240 1.433 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.629 -7.838 0.588 1.00 25.97 H new ATOM 1020 N GLU A 64 10.650 -7.469 2.572 1.00 10.04 N ATOM 1021 CA GLU A 64 9.791 -8.142 3.526 1.00 10.94 C ATOM 1022 C GLU A 64 9.356 -7.293 4.692 1.00 9.74 C ATOM 1023 O GLU A 64 9.174 -7.719 5.836 1.00 9.42 O ATOM 1024 CB GLU A 64 10.488 -9.438 4.035 1.00 18.31 C ATOM 1025 CG GLU A 64 10.590 -10.621 2.986 1.00 24.16 C ATOM 1026 CD GLU A 64 11.302 -11.859 3.527 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.802 -12.462 4.511 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.307 -12.314 2.911 1.00 31.72 O ATOM 0 H GLU A 64 10.293 -7.571 1.622 1.00 10.04 H new ATOM 0 HA GLU A 64 8.875 -8.380 2.986 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.495 -9.181 4.365 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.948 -9.799 4.911 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.586 -10.900 2.667 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.118 -10.266 2.101 1.00 24.16 H new ATOM 1035 N SER A 65 9.092 -6.027 4.438 1.00 6.85 N ATOM 1036 CA SER A 65 8.383 -5.019 5.273 1.00 6.90 C ATOM 1037 C SER A 65 6.922 -5.191 5.285 1.00 4.72 C ATOM 1038 O SER A 65 6.349 -5.797 4.332 1.00 3.91 O ATOM 1039 CB SER A 65 8.751 -3.527 4.927 1.00 7.28 C ATOM 1040 OG SER A 65 8.354 -2.566 5.899 1.00 10.56 O ATOM 0 H SER A 65 9.391 -5.614 3.554 1.00 6.85 H new ATOM 0 HA SER A 65 8.752 -5.218 6.279 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.830 -3.458 4.790 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.291 -3.268 3.973 1.00 7.28 H new ATOM 0 HG SER A 65 8.623 -1.671 5.603 1.00 10.56 H new ATOM 1046 N THR A 66 6.269 -4.761 6.396 1.00 4.48 N ATOM 1047 CA THR A 66 4.784 -4.943 6.518 1.00 3.80 C ATOM 1048 C THR A 66 4.156 -3.631 6.700 1.00 4.60 C ATOM 1049 O THR A 66 4.303 -2.918 7.678 1.00 5.33 O ATOM 1050 CB THR A 66 4.486 -5.870 7.683 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.172 -7.090 7.633 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.988 -6.263 7.643 1.00 3.40 C ATOM 0 H THR A 66 6.716 -4.305 7.192 1.00 4.48 H new ATOM 0 HA THR A 66 4.377 -5.396 5.614 1.00 3.80 H new ATOM 0 HB THR A 66 4.788 -5.318 8.573 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.932 -7.632 8.413 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.764 -6.929 8.476 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.374 -5.366 7.721 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.770 -6.771 6.704 1.00 3.40 H new ATOM 1060 N LEU A 67 3.192 -3.416 5.777 1.00 4.17 N ATOM 1061 CA LEU A 67 2.432 -2.210 5.737 1.00 3.85 C ATOM 1062 C LEU A 67 0.997 -2.557 6.113 1.00 3.80 C ATOM 1063 O LEU A 67 0.737 -3.752 6.325 1.00 5.54 O ATOM 1064 CB LEU A 67 2.436 -1.687 4.234 1.00 7.18 C ATOM 1065 CG LEU A 67 3.909 -1.637 3.561 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.770 -0.869 2.174 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.036 -1.010 4.376 1.00 11.66 C ATOM 0 H LEU A 67 2.942 -4.090 5.054 1.00 4.17 H new ATOM 0 HA LEU A 67 2.842 -1.459 6.412 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.794 -2.332 3.633 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.000 -0.688 4.206 1.00 7.18 H new ATOM 0 HG LEU A 67 4.220 -2.677 3.467 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.745 -0.815 1.689 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.073 -1.405 1.530 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.397 0.139 2.352 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.962 -1.045 3.803 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.788 0.027 4.602 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.164 -1.564 5.306 1.00 11.66 H new ATOM 1079 N HIS A 68 0.087 -1.554 6.332 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.328 -1.788 6.706 1.00 4.17 C ATOM 1081 C HIS A 68 -2.362 -1.098 5.790 1.00 5.32 C ATOM 1082 O HIS A 68 -2.285 0.100 5.641 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.573 -1.213 8.123 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.374 -1.424 9.058 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.762 -0.588 9.111 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.115 -2.499 9.840 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.610 -1.141 10.038 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.136 -2.324 10.467 1.00 16.30 N ATOM 0 H HIS A 68 0.325 -0.565 6.251 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.468 -2.866 6.629 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.787 -0.147 8.047 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.455 -1.685 8.556 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.921 0.260 8.567 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.763 -3.354 9.964 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.531 -0.689 10.376 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.329 -1.802 5.219 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.237 -1.227 4.285 1.00 3.97 C ATOM 1098 C LEU A 69 -5.522 -0.851 5.074 1.00 5.07 C ATOM 1099 O LEU A 69 -6.020 -1.651 5.890 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.594 -2.247 3.157 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.432 -1.876 1.955 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.692 -0.790 1.080 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.962 -3.004 1.125 1.00 9.96 C ATOM 0 H LEU A 69 -3.492 -2.792 5.403 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.789 -0.353 3.812 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.648 -2.627 2.771 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.099 -3.082 3.642 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.342 -1.453 2.381 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.309 -0.534 0.219 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.518 0.103 1.680 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.737 -1.188 0.737 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.545 -2.603 0.296 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.130 -3.590 0.734 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.597 -3.641 1.740 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.111 0.304 4.806 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.361 0.808 5.365 1.00 6.26 C ATOM 1117 C VAL A 70 -8.138 1.387 4.296 1.00 9.22 C ATOM 1118 O VAL A 70 -7.722 1.396 3.145 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.213 1.821 6.517 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.365 1.261 7.632 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.442 3.059 6.017 1.00 8.54 C ATOM 0 H VAL A 70 -5.700 0.963 4.145 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.859 -0.049 5.818 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.219 2.056 6.864 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.279 1.999 8.430 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.830 0.356 8.023 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.372 1.023 7.250 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.337 3.776 6.831 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.454 2.757 5.670 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.989 3.521 5.195 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.374 1.829 4.525 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.248 2.250 3.422 1.00 16.06 C ATOM 1133 C LEU A 71 -10.789 3.647 3.703 1.00 18.09 C ATOM 1134 O LEU A 71 -11.084 3.997 4.818 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.475 1.337 3.135 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.999 -0.029 2.600 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.137 -0.994 2.263 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.156 0.124 1.260 1.00 19.57 C ATOM 0 H LEU A 71 -9.793 1.906 5.452 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.606 2.199 2.543 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.057 1.198 4.046 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.132 1.814 2.407 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.402 -0.430 3.419 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.722 -1.931 1.893 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.728 -1.187 3.159 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.774 -0.552 1.497 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.839 -0.860 0.915 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.772 0.596 0.494 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.278 0.742 1.451 1.00 19.57 H new