USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 -56:sc= 1.24 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 133:sc= 1.73 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.12 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -146:sc= 1.04 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.893 USER MOD Single : A 1 MET CE :methyl -167:sc=-0.00273 (180deg=-0.00713) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.07 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.07) USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.285 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.821 K(o=0.82,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.797 K(o=-0.8,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 41 GLN : amide:sc= -0.0331 K(o=-0.033,f=-4.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.263 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 93:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.465 K(o=0.47,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.954 -6.640 -4.886 1.00 9.67 N ATOM 2 CA MET A 1 11.824 -6.930 -3.417 1.00 10.38 C ATOM 3 C MET A 1 10.393 -7.377 -3.032 1.00 9.62 C ATOM 4 O MET A 1 9.398 -7.294 -3.780 1.00 9.62 O ATOM 5 CB MET A 1 12.176 -5.712 -2.586 1.00 13.77 C ATOM 6 CG MET A 1 11.218 -4.468 -2.568 1.00 16.29 C ATOM 7 SD MET A 1 11.659 -3.353 -1.235 1.00 17.17 S ATOM 8 CE MET A 1 10.247 -2.300 -1.703 1.00 16.11 C ATOM 0 H1 MET A 1 12.903 -6.264 -5.083 1.00 9.67 H new ATOM 0 H2 MET A 1 11.810 -7.516 -5.427 1.00 9.67 H new ATOM 0 H3 MET A 1 11.239 -5.939 -5.166 1.00 9.67 H new ATOM 0 HA MET A 1 12.520 -7.743 -3.210 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.292 -6.046 -1.555 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.153 -5.363 -2.920 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.275 -3.944 -3.522 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.186 -4.798 -2.447 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.331 -1.336 -1.202 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.248 -2.149 -2.783 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.317 -2.784 -1.405 1.00 16.11 H new ATOM 20 N GLN A 2 10.139 -7.830 -1.765 1.00 9.27 N ATOM 21 CA GLN A 2 8.898 -8.428 -1.295 1.00 9.07 C ATOM 22 C GLN A 2 8.376 -7.653 -0.128 1.00 8.72 C ATOM 23 O GLN A 2 9.145 -7.244 0.734 1.00 8.22 O ATOM 24 CB GLN A 2 9.009 -9.925 -0.942 1.00 14.46 C ATOM 25 CG GLN A 2 7.728 -10.777 -0.758 1.00 17.01 C ATOM 26 CD GLN A 2 8.004 -12.269 -0.519 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.811 -12.786 0.589 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.469 -12.974 -1.571 1.00 19.49 N ATOM 0 H GLN A 2 10.842 -7.774 -1.028 1.00 9.27 H new ATOM 0 HA GLN A 2 8.199 -8.378 -2.130 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.603 -10.399 -1.723 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.582 -9.998 -0.018 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.159 -10.383 0.084 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.102 -10.670 -1.644 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.616 -12.513 -2.469 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.674 -13.968 -1.468 1.00 19.49 H new ATOM 37 N ILE A 3 7.074 -7.385 -0.063 1.00 5.87 N ATOM 38 CA ILE A 3 6.483 -6.654 1.033 1.00 5.07 C ATOM 39 C ILE A 3 5.157 -7.256 1.347 1.00 4.01 C ATOM 40 O ILE A 3 4.634 -7.990 0.582 1.00 4.61 O ATOM 41 CB ILE A 3 6.253 -5.166 0.697 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.673 -4.982 -0.705 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.515 -4.402 0.971 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.902 -3.652 -0.731 1.00 10.83 C ATOM 0 H ILE A 3 6.405 -7.674 -0.776 1.00 5.87 H new ATOM 0 HA ILE A 3 7.174 -6.713 1.874 1.00 5.07 H new ATOM 0 HB ILE A 3 5.486 -4.745 1.347 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.470 -4.975 -1.449 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.011 -5.811 -0.955 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.361 -3.349 0.736 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.781 -4.504 2.023 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.321 -4.797 0.353 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.477 -3.497 -1.723 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.100 -3.682 0.006 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.581 -2.833 -0.495 1.00 10.83 H new ATOM 56 N PHE A 4 4.646 -7.007 2.564 1.00 4.55 N ATOM 57 CA PHE A 4 3.342 -7.598 2.997 1.00 4.68 C ATOM 58 C PHE A 4 2.339 -6.432 3.090 1.00 5.30 C ATOM 59 O PHE A 4 2.745 -5.267 3.274 1.00 5.58 O ATOM 60 CB PHE A 4 3.310 -8.414 4.333 1.00 4.83 C ATOM 61 CG PHE A 4 4.357 -9.471 4.234 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.155 -10.540 3.364 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.564 -9.294 4.940 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.175 -11.383 3.060 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.612 -10.183 4.681 1.00 10.61 C ATOM 66 CZ PHE A 4 6.428 -11.204 3.730 1.00 8.90 C ATOM 0 H PHE A 4 5.095 -6.415 3.262 1.00 4.55 H new ATOM 0 HA PHE A 4 3.102 -8.354 2.249 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.502 -7.762 5.186 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.327 -8.860 4.487 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.180 -10.699 2.928 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.676 -8.496 5.659 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.045 -12.169 2.331 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.552 -10.087 5.205 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.249 -11.867 3.501 1.00 8.90 H new ATOM 76 N VAL A 5 1.032 -6.647 2.995 1.00 4.44 N ATOM 77 CA VAL A 5 -0.013 -5.672 3.223 1.00 3.87 C ATOM 78 C VAL A 5 -1.174 -6.310 4.028 1.00 4.93 C ATOM 79 O VAL A 5 -1.722 -7.337 3.644 1.00 6.84 O ATOM 80 CB VAL A 5 -0.547 -5.008 1.960 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.380 -3.746 2.259 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.431 -4.701 0.791 1.00 9.13 C ATOM 0 H VAL A 5 0.658 -7.562 2.742 1.00 4.44 H new ATOM 0 HA VAL A 5 0.452 -4.872 3.799 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.163 -5.823 1.580 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.735 -3.314 1.323 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.233 -4.013 2.882 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.761 -3.017 2.783 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.115 -4.230 -0.026 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.215 -4.028 1.139 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.880 -5.630 0.439 1.00 9.13 H new ATOM 92 N LYS A 6 -1.500 -5.666 5.178 1.00 6.04 N ATOM 93 CA LYS A 6 -2.352 -6.274 6.151 1.00 6.12 C ATOM 94 C LYS A 6 -3.680 -5.572 6.197 1.00 6.57 C ATOM 95 O LYS A 6 -3.812 -4.341 6.312 1.00 5.76 O ATOM 96 CB LYS A 6 -1.733 -6.198 7.590 1.00 7.45 C ATOM 97 CG LYS A 6 -2.310 -7.135 8.629 1.00 11.12 C ATOM 98 CD LYS A 6 -2.096 -8.639 8.268 1.00 14.54 C ATOM 99 CE LYS A 6 -2.512 -9.512 9.437 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.912 -10.799 9.369 1.00 20.55 N ATOM 0 H LYS A 6 -1.172 -4.732 5.424 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.471 -7.316 5.855 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.664 -6.394 7.511 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.843 -5.177 7.954 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.849 -6.928 9.595 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.377 -6.939 8.736 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.679 -8.897 7.384 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.049 -8.818 8.023 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.230 -9.028 10.372 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.597 -9.616 9.446 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.569 -11.509 9.752 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.693 -11.028 8.378 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.034 -10.803 9.927 1.00 20.55 H new ATOM 114 N THR A 7 -4.842 -6.355 6.099 1.00 7.41 N ATOM 115 CA THR A 7 -6.157 -5.775 5.994 1.00 7.48 C ATOM 116 C THR A 7 -6.957 -5.721 7.325 1.00 8.75 C ATOM 117 O THR A 7 -6.689 -6.349 8.343 1.00 8.58 O ATOM 118 CB THR A 7 -6.949 -6.610 4.981 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.309 -7.845 5.505 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.247 -6.930 3.621 1.00 9.17 C ATOM 0 H THR A 7 -4.836 -7.375 6.095 1.00 7.41 H new ATOM 0 HA THR A 7 -6.022 -4.737 5.688 1.00 7.48 H new ATOM 0 HB THR A 7 -7.795 -5.953 4.780 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.256 -8.016 5.320 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.915 -7.525 2.998 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.006 -5.999 3.108 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.330 -7.489 3.808 1.00 9.17 H new ATOM 128 N LEU A 8 -8.153 -5.093 7.337 1.00 9.84 N ATOM 129 CA LEU A 8 -9.094 -5.010 8.475 1.00 14.15 C ATOM 130 C LEU A 8 -10.001 -6.223 8.389 1.00 17.37 C ATOM 131 O LEU A 8 -11.065 -6.279 9.039 1.00 17.01 O ATOM 132 CB LEU A 8 -9.862 -3.664 8.595 1.00 16.63 C ATOM 133 CG LEU A 8 -8.869 -2.467 8.831 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.546 -1.108 8.587 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.417 -2.471 10.277 1.00 18.59 C ATOM 0 H LEU A 8 -8.506 -4.606 6.513 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.527 -5.023 9.406 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.439 -3.489 7.687 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.573 -3.719 9.419 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.038 -2.596 8.137 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.827 -0.307 8.760 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.903 -1.059 7.558 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.388 -0.993 9.269 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.728 -1.643 10.445 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.283 -2.361 10.929 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.914 -3.412 10.498 1.00 18.59 H new ATOM 147 N THR A 9 -9.700 -7.172 7.555 1.00 18.33 N ATOM 148 CA THR A 9 -10.505 -8.384 7.491 1.00 19.24 C ATOM 149 C THR A 9 -9.526 -9.429 7.969 1.00 19.48 C ATOM 150 O THR A 9 -9.856 -10.651 7.892 1.00 23.14 O ATOM 151 CB THR A 9 -10.947 -8.688 6.051 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.859 -8.600 5.151 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.017 -7.647 5.638 1.00 19.70 C ATOM 0 H THR A 9 -8.912 -7.145 6.908 1.00 18.33 H new ATOM 0 HA THR A 9 -11.425 -8.326 8.072 1.00 19.24 H new ATOM 0 HB THR A 9 -11.345 -9.702 6.014 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.169 -8.799 4.243 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.344 -7.846 4.617 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.871 -7.716 6.312 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.591 -6.645 5.693 1.00 19.70 H new ATOM 161 N GLY A 10 -8.295 -9.141 8.452 1.00 19.43 N ATOM 162 CA GLY A 10 -7.357 -10.160 8.968 1.00 18.74 C ATOM 163 C GLY A 10 -6.647 -10.968 7.923 1.00 17.62 C ATOM 164 O GLY A 10 -6.029 -11.995 8.215 1.00 19.74 O ATOM 0 H GLY A 10 -7.925 -8.191 8.494 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.611 -9.662 9.587 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.908 -10.841 9.617 1.00 18.74 H new ATOM 168 N LYS A 11 -6.653 -10.466 6.647 1.00 13.56 N ATOM 169 CA LYS A 11 -5.934 -11.115 5.552 1.00 11.91 C ATOM 170 C LYS A 11 -4.533 -10.469 5.369 1.00 10.18 C ATOM 171 O LYS A 11 -4.320 -9.229 5.587 1.00 9.10 O ATOM 172 CB LYS A 11 -6.786 -11.107 4.249 1.00 13.43 C ATOM 173 CG LYS A 11 -6.322 -12.040 3.120 1.00 16.69 C ATOM 174 CD LYS A 11 -7.243 -11.977 1.878 1.00 17.92 C ATOM 175 CE LYS A 11 -6.751 -13.056 0.883 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.600 -12.996 -0.356 1.00 21.93 N ATOM 0 H LYS A 11 -7.151 -9.618 6.375 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.768 -12.163 5.801 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.811 -11.371 4.510 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.808 -10.088 3.862 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.306 -11.773 2.828 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.289 -13.064 3.491 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.280 -12.159 2.159 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.205 -10.988 1.422 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.704 -12.888 0.631 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.815 -14.045 1.337 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.370 -13.800 -0.974 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.605 -13.039 -0.091 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.414 -12.107 -0.862 1.00 21.93 H new ATOM 190 N THR A 12 -3.513 -11.243 4.936 1.00 9.63 N ATOM 191 CA THR A 12 -2.135 -10.780 4.564 1.00 9.85 C ATOM 192 C THR A 12 -1.911 -10.959 3.024 1.00 11.66 C ATOM 193 O THR A 12 -1.904 -12.053 2.481 1.00 12.33 O ATOM 194 CB THR A 12 -0.976 -11.482 5.305 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.279 -11.560 6.672 1.00 10.91 O ATOM 196 CG2 THR A 12 0.399 -10.811 5.109 1.00 9.63 C ATOM 0 H THR A 12 -3.620 -12.252 4.828 1.00 9.63 H new ATOM 0 HA THR A 12 -2.105 -9.734 4.869 1.00 9.85 H new ATOM 0 HB THR A 12 -0.886 -12.476 4.867 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.546 -12.007 7.145 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.157 -11.366 5.662 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.654 -10.806 4.049 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.359 -9.786 5.477 1.00 9.63 H new ATOM 204 N ILE A 13 -1.719 -9.848 2.373 1.00 10.42 N ATOM 205 CA ILE A 13 -1.356 -9.759 0.962 1.00 11.84 C ATOM 206 C ILE A 13 0.094 -9.793 0.812 1.00 10.55 C ATOM 207 O ILE A 13 0.761 -9.118 1.655 1.00 11.92 O ATOM 208 CB ILE A 13 -1.977 -8.517 0.303 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.514 -8.492 0.510 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.666 -8.487 -1.204 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.096 -7.121 0.386 1.00 16.46 C ATOM 0 H ILE A 13 -1.812 -8.934 2.817 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.765 -10.625 0.441 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.539 -7.639 0.777 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.985 -9.148 -0.222 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.749 -8.893 1.496 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.115 -7.600 -1.651 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.586 -8.461 -1.352 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.076 -9.379 -1.678 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.174 -7.168 0.541 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.650 -6.467 1.135 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.889 -6.727 -0.609 1.00 16.46 H new ATOM 223 N THR A 14 0.695 -10.462 -0.215 1.00 9.39 N ATOM 224 CA THR A 14 2.102 -10.519 -0.469 1.00 9.63 C ATOM 225 C THR A 14 2.334 -9.952 -1.842 1.00 11.20 C ATOM 226 O THR A 14 1.741 -10.511 -2.778 1.00 11.63 O ATOM 227 CB THR A 14 2.744 -11.865 -0.412 1.00 10.38 C ATOM 228 OG1 THR A 14 2.528 -12.300 0.919 1.00 16.30 O ATOM 229 CG2 THR A 14 4.284 -11.811 -0.591 1.00 11.66 C ATOM 0 H THR A 14 0.155 -10.990 -0.901 1.00 9.39 H new ATOM 0 HA THR A 14 2.565 -9.956 0.341 1.00 9.63 H new ATOM 0 HB THR A 14 2.333 -12.496 -1.200 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.198 -11.895 1.508 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.692 -12.821 -0.540 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.523 -11.372 -1.560 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.721 -11.203 0.201 1.00 11.66 H new ATOM 237 N LEU A 15 3.262 -8.977 -2.001 1.00 8.29 N ATOM 238 CA LEU A 15 3.450 -8.326 -3.205 1.00 9.03 C ATOM 239 C LEU A 15 4.956 -8.255 -3.507 1.00 8.59 C ATOM 240 O LEU A 15 5.765 -8.031 -2.664 1.00 7.79 O ATOM 241 CB LEU A 15 2.861 -6.936 -3.299 1.00 11.08 C ATOM 242 CG LEU A 15 1.351 -6.886 -3.193 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.871 -5.418 -2.984 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.714 -7.633 -4.351 1.00 15.27 C ATOM 0 H LEU A 15 3.879 -8.658 -1.254 1.00 8.29 H new ATOM 0 HA LEU A 15 2.905 -8.918 -3.940 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.289 -6.319 -2.508 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.161 -6.491 -4.248 1.00 11.08 H new ATOM 0 HG LEU A 15 1.008 -7.416 -2.304 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.216 -5.398 -2.910 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.305 -5.020 -2.067 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.188 -4.808 -3.830 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.371 -7.588 -4.260 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.019 -7.174 -5.292 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.036 -8.674 -4.334 1.00 15.27 H new ATOM 256 N GLU A 16 5.313 -8.416 -4.726 1.00 11.04 N ATOM 257 CA GLU A 16 6.606 -8.236 -5.249 1.00 11.50 C ATOM 258 C GLU A 16 6.783 -6.998 -6.150 1.00 10.13 C ATOM 259 O GLU A 16 6.113 -6.829 -7.160 1.00 9.83 O ATOM 260 CB GLU A 16 7.062 -9.461 -6.082 1.00 17.22 C ATOM 261 CG GLU A 16 8.546 -9.451 -6.422 1.00 23.33 C ATOM 262 CD GLU A 16 9.072 -10.627 -7.183 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.228 -11.415 -7.631 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.290 -10.823 -7.181 1.00 28.90 O ATOM 0 H GLU A 16 4.646 -8.702 -5.442 1.00 11.04 H new ATOM 0 HA GLU A 16 7.214 -8.099 -4.355 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.831 -10.372 -5.529 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.486 -9.495 -7.007 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.756 -8.551 -7.000 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.107 -9.370 -5.491 1.00 23.33 H new ATOM 271 N VAL A 17 7.666 -6.065 -5.814 1.00 8.99 N ATOM 272 CA VAL A 17 7.641 -4.676 -6.342 1.00 8.85 C ATOM 273 C VAL A 17 9.113 -4.192 -6.438 1.00 8.04 C ATOM 274 O VAL A 17 10.071 -4.682 -5.800 1.00 8.99 O ATOM 275 CB VAL A 17 6.892 -3.676 -5.512 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.426 -4.054 -5.443 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.463 -3.720 -4.074 1.00 10.54 C ATOM 0 H VAL A 17 8.432 -6.237 -5.163 1.00 8.99 H new ATOM 0 HA VAL A 17 7.116 -4.725 -7.296 1.00 8.85 H new ATOM 0 HB VAL A 17 6.996 -2.685 -5.954 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.890 -3.323 -4.838 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.007 -4.071 -6.449 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.326 -5.041 -4.992 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.933 -3.000 -3.450 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.335 -4.721 -3.662 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.524 -3.470 -4.096 1.00 10.54 H new ATOM 287 N GLU A 18 9.404 -3.154 -7.255 1.00 7.29 N ATOM 288 CA GLU A 18 10.611 -2.399 -7.254 1.00 7.08 C ATOM 289 C GLU A 18 10.668 -1.383 -6.072 1.00 6.45 C ATOM 290 O GLU A 18 9.610 -0.790 -5.825 1.00 5.28 O ATOM 291 CB GLU A 18 10.992 -1.685 -8.598 1.00 10.28 C ATOM 292 CG GLU A 18 10.951 -2.503 -9.893 1.00 12.65 C ATOM 293 CD GLU A 18 11.651 -3.804 -9.656 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.904 -3.839 -9.742 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.937 -4.838 -9.443 1.00 18.17 O ATOM 0 H GLU A 18 8.744 -2.828 -7.961 1.00 7.29 H new ATOM 0 HA GLU A 18 11.371 -3.169 -7.121 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.324 -0.832 -8.722 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.001 -1.287 -8.488 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.919 -2.678 -10.198 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.434 -1.955 -10.702 1.00 12.65 H new ATOM 302 N PRO A 19 11.817 -1.016 -5.428 1.00 7.24 N ATOM 303 CA PRO A 19 11.920 0.180 -4.642 1.00 7.07 C ATOM 304 C PRO A 19 11.674 1.469 -5.366 1.00 6.65 C ATOM 305 O PRO A 19 11.135 2.459 -4.772 1.00 6.37 O ATOM 306 CB PRO A 19 13.306 0.199 -4.002 1.00 7.61 C ATOM 307 CG PRO A 19 13.782 -1.248 -4.296 1.00 8.16 C ATOM 308 CD PRO A 19 13.080 -1.705 -5.529 1.00 7.49 C ATOM 0 HA PRO A 19 11.115 0.133 -3.909 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.958 0.948 -4.451 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.265 0.412 -2.934 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.863 -1.276 -4.437 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.553 -1.906 -3.457 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.623 -1.431 -6.433 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.954 -2.787 -5.549 1.00 7.49 H new ATOM 316 N SER A 20 12.017 1.524 -6.698 1.00 6.80 N ATOM 317 CA SER A 20 11.745 2.700 -7.520 1.00 6.28 C ATOM 318 C SER A 20 10.330 2.736 -8.121 1.00 8.45 C ATOM 319 O SER A 20 10.159 3.217 -9.209 1.00 7.26 O ATOM 320 CB SER A 20 12.637 2.566 -8.814 1.00 8.57 C ATOM 321 OG SER A 20 13.991 2.580 -8.445 1.00 11.13 O ATOM 0 H SER A 20 12.477 0.762 -7.197 1.00 6.80 H new ATOM 0 HA SER A 20 11.913 3.562 -6.875 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.400 1.641 -9.339 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.427 3.385 -9.502 1.00 8.57 H new ATOM 0 HG SER A 20 14.549 2.495 -9.246 1.00 11.13 H new ATOM 327 N ASP A 21 9.281 2.122 -7.422 1.00 7.50 N ATOM 328 CA ASP A 21 7.887 2.015 -7.901 1.00 7.70 C ATOM 329 C ASP A 21 7.038 2.921 -7.061 1.00 7.08 C ATOM 330 O ASP A 21 7.241 3.086 -5.879 1.00 8.11 O ATOM 331 CB ASP A 21 7.355 0.557 -7.912 1.00 11.00 C ATOM 332 CG ASP A 21 6.279 0.439 -9.058 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.188 1.374 -9.840 1.00 14.36 O ATOM 334 OD2 ASP A 21 5.686 -0.690 -9.273 1.00 18.03 O ATOM 0 H ASP A 21 9.417 1.695 -6.506 1.00 7.50 H new ATOM 0 HA ASP A 21 7.846 2.327 -8.944 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.171 -0.145 -8.082 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.914 0.305 -6.948 1.00 11.00 H new ATOM 339 N THR A 22 5.980 3.465 -7.647 1.00 5.37 N ATOM 340 CA THR A 22 5.073 4.273 -6.881 1.00 6.01 C ATOM 341 C THR A 22 4.087 3.624 -5.958 1.00 8.01 C ATOM 342 O THR A 22 3.732 2.444 -6.117 1.00 8.11 O ATOM 343 CB THR A 22 4.298 5.334 -7.754 1.00 8.92 C ATOM 344 OG1 THR A 22 3.489 4.717 -8.687 1.00 10.22 O ATOM 345 CG2 THR A 22 5.236 6.283 -8.549 1.00 9.65 C ATOM 0 H THR A 22 5.741 3.358 -8.633 1.00 5.37 H new ATOM 0 HA THR A 22 5.805 4.730 -6.215 1.00 6.01 H new ATOM 0 HB THR A 22 3.719 5.912 -7.033 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.019 5.397 -9.213 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.637 6.986 -9.127 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.871 6.833 -7.854 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.859 5.697 -9.224 1.00 9.65 H new ATOM 353 N ILE A 23 3.617 4.406 -4.972 1.00 8.32 N ATOM 354 CA ILE A 23 2.622 3.917 -3.966 1.00 9.92 C ATOM 355 C ILE A 23 1.303 3.596 -4.641 1.00 10.01 C ATOM 356 O ILE A 23 0.621 2.602 -4.404 1.00 8.71 O ATOM 357 CB ILE A 23 2.318 4.915 -2.823 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.709 5.270 -2.171 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.255 4.426 -1.839 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.394 4.046 -1.543 1.00 12.30 C ATOM 0 H ILE A 23 3.900 5.377 -4.839 1.00 8.32 H new ATOM 0 HA ILE A 23 3.088 3.035 -3.527 1.00 9.92 H new ATOM 0 HB ILE A 23 1.849 5.819 -3.212 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.363 5.699 -2.930 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.564 6.033 -1.407 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.098 5.180 -1.068 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.320 4.251 -2.371 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.588 3.497 -1.375 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.348 4.346 -1.108 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.755 3.631 -0.764 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.566 3.292 -2.311 1.00 12.30 H new ATOM 372 N GLU A 24 0.968 4.422 -5.659 1.00 9.54 N ATOM 373 CA GLU A 24 -0.150 4.160 -6.567 1.00 11.81 C ATOM 374 C GLU A 24 -0.031 2.833 -7.288 1.00 11.14 C ATOM 375 O GLU A 24 -1.060 2.189 -7.551 1.00 10.62 O ATOM 376 CB GLU A 24 -0.290 5.361 -7.485 1.00 19.24 C ATOM 377 CG GLU A 24 -1.513 5.255 -8.452 1.00 27.76 C ATOM 378 CD GLU A 24 -1.730 6.484 -9.434 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.128 7.576 -8.963 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.572 6.333 -10.662 1.00 34.80 O ATOM 0 H GLU A 24 1.470 5.285 -5.866 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.074 4.044 -6.000 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.389 6.263 -6.881 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.622 5.470 -8.073 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.400 4.352 -9.051 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.415 5.130 -7.853 1.00 27.76 H new ATOM 387 N ASN A 25 1.212 2.385 -7.681 1.00 9.43 N ATOM 388 CA ASN A 25 1.369 1.154 -8.416 1.00 10.96 C ATOM 389 C ASN A 25 1.273 -0.022 -7.469 1.00 9.68 C ATOM 390 O ASN A 25 0.718 -1.041 -7.786 1.00 9.33 O ATOM 391 CB ASN A 25 2.782 1.121 -9.064 1.00 16.78 C ATOM 392 CG ASN A 25 2.728 1.885 -10.362 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.670 2.252 -10.840 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.891 2.062 -11.020 1.00 24.70 N ATOM 0 H ASN A 25 2.084 2.876 -7.487 1.00 9.43 H new ATOM 0 HA ASN A 25 0.590 1.096 -9.176 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.517 1.565 -8.393 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.094 0.092 -9.242 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.896 2.511 -11.936 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.767 1.747 -10.602 1.00 24.70 H new ATOM 401 N VAL A 26 1.570 0.187 -6.173 1.00 6.52 N ATOM 402 CA VAL A 26 1.229 -0.757 -5.067 1.00 5.53 C ATOM 403 C VAL A 26 -0.288 -0.899 -4.927 1.00 4.42 C ATOM 404 O VAL A 26 -0.812 -2.005 -4.871 1.00 3.40 O ATOM 405 CB VAL A 26 1.882 -0.530 -3.750 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.479 -1.713 -2.774 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.380 -0.511 -3.994 1.00 8.12 C ATOM 0 H VAL A 26 2.059 1.022 -5.850 1.00 6.52 H new ATOM 0 HA VAL A 26 1.671 -1.700 -5.389 1.00 5.53 H new ATOM 0 HB VAL A 26 1.571 0.409 -3.293 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.951 -1.560 -1.803 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.396 -1.731 -2.652 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.813 -2.661 -3.195 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.900 -0.346 -3.050 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.692 -1.465 -4.419 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.625 0.292 -4.689 1.00 8.12 H new ATOM 417 N LYS A 27 -1.046 0.226 -4.882 1.00 2.64 N ATOM 418 CA LYS A 27 -2.466 0.148 -4.854 1.00 4.14 C ATOM 419 C LYS A 27 -3.098 -0.482 -6.118 1.00 5.58 C ATOM 420 O LYS A 27 -4.159 -1.098 -6.056 1.00 4.11 O ATOM 421 CB LYS A 27 -3.099 1.509 -4.479 1.00 3.97 C ATOM 422 CG LYS A 27 -2.607 2.321 -3.241 1.00 7.45 C ATOM 423 CD LYS A 27 -3.408 3.592 -3.055 1.00 9.02 C ATOM 424 CE LYS A 27 -2.840 4.434 -1.902 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.506 5.662 -1.724 1.00 15.47 N ATOM 0 H LYS A 27 -0.669 1.174 -4.866 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.708 -0.557 -4.059 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.992 2.159 -5.348 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.166 1.335 -4.341 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.688 1.705 -2.345 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.553 2.569 -3.363 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.394 4.174 -3.977 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.449 3.344 -2.851 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.901 3.859 -0.978 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.783 4.626 -2.089 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.096 6.164 -0.911 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.398 6.243 -2.580 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.516 5.487 -1.550 1.00 15.47 H new ATOM 439 N ALA A 28 -2.460 -0.371 -7.314 1.00 6.61 N ATOM 440 CA ALA A 28 -2.793 -1.106 -8.516 1.00 7.74 C ATOM 441 C ALA A 28 -2.530 -2.614 -8.484 1.00 9.17 C ATOM 442 O ALA A 28 -3.348 -3.404 -9.017 1.00 11.45 O ATOM 443 CB ALA A 28 -2.038 -0.544 -9.764 1.00 7.68 C ATOM 0 H ALA A 28 -1.673 0.263 -7.449 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.872 -0.963 -8.580 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.314 -1.121 -10.646 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.310 0.501 -9.914 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.963 -0.619 -9.603 1.00 7.68 H new ATOM 449 N LYS A 29 -1.458 -3.038 -7.848 1.00 8.96 N ATOM 450 CA LYS A 29 -1.208 -4.433 -7.509 1.00 7.90 C ATOM 451 C LYS A 29 -2.163 -4.946 -6.441 1.00 6.92 C ATOM 452 O LYS A 29 -2.623 -6.101 -6.521 1.00 6.87 O ATOM 453 CB LYS A 29 0.246 -4.560 -7.038 1.00 10.28 C ATOM 454 CG LYS A 29 1.138 -4.246 -8.291 1.00 14.94 C ATOM 455 CD LYS A 29 2.637 -4.119 -7.881 1.00 19.69 C ATOM 456 CE LYS A 29 3.586 -3.468 -8.877 1.00 22.63 C ATOM 457 NZ LYS A 29 3.855 -4.272 -10.048 1.00 24.98 N ATOM 0 H LYS A 29 -0.714 -2.410 -7.543 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.378 -5.046 -8.394 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.455 -3.863 -6.226 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.447 -5.562 -6.658 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.024 -5.037 -9.032 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.804 -3.320 -8.759 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.684 -3.552 -6.951 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.012 -5.119 -7.664 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.165 -2.514 -9.194 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.529 -3.250 -8.375 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.508 -3.762 -10.677 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.286 -5.173 -9.759 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.965 -4.460 -10.552 1.00 24.98 H new ATOM 471 N ILE A 30 -2.583 -4.056 -5.494 1.00 4.57 N ATOM 472 CA ILE A 30 -3.595 -4.453 -4.452 1.00 5.58 C ATOM 473 C ILE A 30 -4.968 -4.571 -5.130 1.00 7.26 C ATOM 474 O ILE A 30 -5.805 -5.445 -4.866 1.00 9.46 O ATOM 475 CB ILE A 30 -3.683 -3.562 -3.188 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.425 -3.680 -2.329 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.924 -4.023 -2.403 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.399 -2.669 -1.181 1.00 2.00 C ATOM 0 H ILE A 30 -2.255 -3.093 -5.425 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.246 -5.406 -4.055 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.764 -2.512 -3.471 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.361 -4.689 -1.921 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.546 -3.534 -2.957 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.028 -3.421 -1.500 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.812 -3.903 -3.023 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.812 -5.072 -2.129 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.484 -2.798 -0.604 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.433 -1.658 -1.586 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.262 -2.830 -0.534 1.00 2.00 H new ATOM 490 N GLN A 31 -5.246 -3.767 -6.204 1.00 7.06 N ATOM 491 CA GLN A 31 -6.411 -3.826 -7.049 1.00 8.67 C ATOM 492 C GLN A 31 -6.453 -5.147 -7.726 1.00 10.90 C ATOM 493 O GLN A 31 -7.458 -5.889 -7.695 1.00 9.63 O ATOM 494 CB GLN A 31 -6.534 -2.636 -7.991 1.00 9.12 C ATOM 495 CG GLN A 31 -7.888 -2.626 -8.760 1.00 10.76 C ATOM 496 CD GLN A 31 -8.215 -1.396 -9.698 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.267 -0.657 -9.910 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.446 -1.297 -10.198 1.00 14.76 N ATOM 0 H GLN A 31 -4.604 -3.028 -6.492 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.302 -3.741 -6.427 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.436 -1.713 -7.420 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.713 -2.656 -8.707 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.929 -3.528 -9.370 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.688 -2.703 -8.023 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.157 -1.983 -9.943 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.678 -0.536 -10.836 1.00 14.76 H new ATOM 507 N ASP A 32 -5.322 -5.528 -8.250 1.00 10.93 N ATOM 508 CA ASP A 32 -5.128 -6.737 -8.995 1.00 14.01 C ATOM 509 C ASP A 32 -5.420 -7.996 -8.113 1.00 14.04 C ATOM 510 O ASP A 32 -6.042 -8.972 -8.589 1.00 13.39 O ATOM 511 CB ASP A 32 -3.709 -6.877 -9.539 1.00 18.01 C ATOM 512 CG ASP A 32 -3.438 -8.033 -10.504 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.848 -7.995 -11.674 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.731 -8.990 -10.047 1.00 26.29 O ATOM 0 H ASP A 32 -4.469 -4.975 -8.164 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.826 -6.676 -9.830 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.449 -5.947 -10.045 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.031 -6.979 -8.691 1.00 18.01 H new ATOM 519 N LYS A 33 -4.918 -8.076 -6.901 1.00 14.22 N ATOM 520 CA LYS A 33 -5.219 -9.114 -5.933 1.00 14.00 C ATOM 521 C LYS A 33 -6.632 -9.148 -5.412 1.00 12.37 C ATOM 522 O LYS A 33 -7.262 -10.185 -5.347 1.00 12.17 O ATOM 523 CB LYS A 33 -4.364 -8.862 -4.694 1.00 18.62 C ATOM 524 CG LYS A 33 -2.838 -9.195 -4.831 1.00 24.00 C ATOM 525 CD LYS A 33 -2.536 -10.714 -4.964 1.00 27.61 C ATOM 526 CE LYS A 33 -1.061 -11.022 -5.257 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.688 -12.480 -5.252 1.00 30.06 N ATOM 0 H LYS A 33 -4.256 -7.387 -6.544 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.034 -10.047 -6.466 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.463 -7.813 -4.416 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.771 -9.449 -3.871 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.440 -8.677 -5.704 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.311 -8.804 -3.961 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.828 -11.216 -4.042 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.151 -11.130 -5.762 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.808 -10.604 -6.231 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.447 -10.506 -4.519 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.326 -12.580 -5.460 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.891 -12.887 -4.317 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.241 -12.982 -5.976 1.00 30.06 H new ATOM 541 N GLU A 34 -7.218 -8.005 -4.992 1.00 10.11 N ATOM 542 CA GLU A 34 -8.449 -8.065 -4.170 1.00 10.07 C ATOM 543 C GLU A 34 -9.532 -7.221 -4.763 1.00 9.32 C ATOM 544 O GLU A 34 -10.581 -7.055 -4.143 1.00 11.61 O ATOM 545 CB GLU A 34 -8.203 -7.316 -2.803 1.00 14.77 C ATOM 546 CG GLU A 34 -7.315 -8.221 -1.932 1.00 18.75 C ATOM 547 CD GLU A 34 -8.013 -9.446 -1.395 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.072 -9.321 -0.725 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.415 -10.526 -1.496 1.00 21.95 O ATOM 0 H GLU A 34 -6.877 -7.066 -5.197 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.706 -9.121 -4.087 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.719 -6.355 -2.975 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.149 -7.111 -2.302 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.452 -8.537 -2.519 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.934 -7.638 -1.094 1.00 18.75 H new ATOM 556 N GLY A 35 -9.368 -6.689 -5.972 1.00 7.22 N ATOM 557 CA GLY A 35 -10.539 -6.189 -6.663 1.00 6.29 C ATOM 558 C GLY A 35 -10.999 -4.887 -6.089 1.00 6.93 C ATOM 559 O GLY A 35 -12.070 -4.371 -6.369 1.00 7.41 O ATOM 0 H GLY A 35 -8.481 -6.598 -6.468 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.312 -6.061 -7.721 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.343 -6.922 -6.596 1.00 6.29 H new ATOM 563 N ILE A 36 -10.191 -4.204 -5.223 1.00 5.86 N ATOM 564 CA ILE A 36 -10.633 -2.994 -4.592 1.00 6.07 C ATOM 565 C ILE A 36 -10.064 -1.768 -5.290 1.00 6.36 C ATOM 566 O ILE A 36 -8.821 -1.637 -5.434 1.00 6.18 O ATOM 567 CB ILE A 36 -10.047 -2.889 -3.189 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.397 -4.134 -2.314 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.550 -1.642 -2.379 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.706 -4.190 -0.937 1.00 9.49 C ATOM 0 H ILE A 36 -9.246 -4.495 -4.970 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.722 -3.026 -4.614 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.975 -2.806 -3.369 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.476 -4.158 -2.161 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.134 -5.034 -2.870 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.088 -1.639 -1.392 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.278 -0.730 -2.910 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.634 -1.691 -2.272 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.017 -5.092 -0.410 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.625 -4.203 -1.073 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.988 -3.314 -0.353 1.00 9.49 H new ATOM 582 N PRO A 37 -10.858 -0.843 -5.809 1.00 8.65 N ATOM 583 CA PRO A 37 -10.377 0.441 -6.330 1.00 9.18 C ATOM 584 C PRO A 37 -9.272 1.165 -5.596 1.00 9.85 C ATOM 585 O PRO A 37 -9.475 1.428 -4.392 1.00 8.51 O ATOM 586 CB PRO A 37 -11.586 1.291 -6.492 1.00 11.42 C ATOM 587 CG PRO A 37 -12.703 0.276 -6.699 1.00 9.27 C ATOM 588 CD PRO A 37 -12.292 -0.921 -5.836 1.00 8.33 C ATOM 0 HA PRO A 37 -9.856 0.218 -7.261 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.763 1.910 -5.613 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.492 1.965 -7.343 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.668 0.677 -6.389 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.797 -0.004 -7.748 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.716 -0.857 -4.834 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.634 -1.862 -6.267 1.00 8.33 H new ATOM 596 N PRO A 38 -8.189 1.686 -6.182 1.00 8.71 N ATOM 597 CA PRO A 38 -7.105 2.251 -5.414 1.00 9.08 C ATOM 598 C PRO A 38 -7.533 3.407 -4.520 1.00 9.28 C ATOM 599 O PRO A 38 -6.993 3.610 -3.426 1.00 6.50 O ATOM 600 CB PRO A 38 -6.101 2.691 -6.447 1.00 10.31 C ATOM 601 CG PRO A 38 -6.207 1.512 -7.408 1.00 10.81 C ATOM 602 CD PRO A 38 -7.694 1.263 -7.497 1.00 12.00 C ATOM 0 HA PRO A 38 -6.700 1.519 -4.715 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.367 3.639 -6.914 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.099 2.809 -6.035 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.781 1.749 -8.383 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.675 0.638 -7.031 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.150 1.839 -8.302 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.915 0.213 -7.691 1.00 12.00 H new ATOM 610 N ASP A 39 -8.550 4.168 -5.017 1.00 11.20 N ATOM 611 CA ASP A 39 -9.190 5.310 -4.398 1.00 14.96 C ATOM 612 C ASP A 39 -9.860 4.917 -3.039 1.00 13.99 C ATOM 613 O ASP A 39 -10.067 5.780 -2.147 1.00 13.75 O ATOM 614 CB ASP A 39 -10.312 5.798 -5.293 1.00 24.16 C ATOM 615 CG ASP A 39 -9.853 6.211 -6.662 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.815 5.255 -7.534 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.507 7.346 -6.917 1.00 34.22 O ATOM 0 H ASP A 39 -8.956 3.963 -5.930 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.423 6.068 -4.240 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.057 5.008 -5.392 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.806 6.644 -4.814 1.00 24.16 H new ATOM 622 N GLN A 40 -10.092 3.600 -2.769 1.00 11.60 N ATOM 623 CA GLN A 40 -10.681 3.096 -1.557 1.00 10.76 C ATOM 624 C GLN A 40 -9.613 2.419 -0.649 1.00 8.01 C ATOM 625 O GLN A 40 -9.959 1.837 0.373 1.00 8.96 O ATOM 626 CB GLN A 40 -11.857 2.116 -1.743 1.00 11.14 C ATOM 627 CG GLN A 40 -12.981 2.805 -2.610 1.00 14.85 C ATOM 628 CD GLN A 40 -14.238 1.973 -2.670 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.625 1.267 -1.754 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.906 1.963 -3.883 1.00 18.16 N ATOM 0 H GLN A 40 -9.856 2.860 -3.430 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.093 3.988 -1.086 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.512 1.205 -2.232 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.258 1.824 -0.773 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.214 3.784 -2.190 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.608 2.972 -3.621 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.582 2.554 -4.649 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.722 1.365 -4.011 1.00 18.16 H new ATOM 639 N GLN A 41 -8.303 2.524 -0.996 1.00 6.52 N ATOM 640 CA GLN A 41 -7.259 2.084 -0.175 1.00 3.87 C ATOM 641 C GLN A 41 -6.481 3.254 0.353 1.00 4.79 C ATOM 642 O GLN A 41 -5.941 4.027 -0.443 1.00 6.34 O ATOM 643 CB GLN A 41 -6.258 1.275 -1.027 1.00 4.20 C ATOM 644 CG GLN A 41 -6.920 0.054 -1.698 1.00 3.20 C ATOM 645 CD GLN A 41 -5.911 -0.583 -2.642 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.706 -0.643 -2.369 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.374 -1.147 -3.806 1.00 7.13 N ATOM 0 H GLN A 41 -7.989 2.930 -1.877 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.692 1.497 0.635 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.830 1.921 -1.793 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.435 0.939 -0.397 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.240 -0.665 -0.944 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.811 0.360 -2.246 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.367 -1.100 -4.036 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.725 -1.613 -4.440 1.00 7.13 H new ATOM 656 N ARG A 42 -6.458 3.400 1.671 1.00 5.73 N ATOM 657 CA ARG A 42 -5.450 4.214 2.371 1.00 6.97 C ATOM 658 C ARG A 42 -4.386 3.238 2.945 1.00 7.15 C ATOM 659 O ARG A 42 -4.631 2.261 3.629 1.00 7.33 O ATOM 660 CB ARG A 42 -5.956 5.030 3.558 1.00 13.23 C ATOM 661 CG ARG A 42 -6.592 6.352 3.142 1.00 21.27 C ATOM 662 CD ARG A 42 -6.740 7.233 4.457 1.00 26.14 C ATOM 663 NE ARG A 42 -7.232 8.556 3.998 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.425 9.082 4.333 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.322 8.442 4.980 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.635 10.314 3.893 1.00 36.39 N ATOM 0 H ARG A 42 -7.135 2.960 2.294 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.085 4.926 1.631 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.686 4.440 4.113 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.126 5.229 4.236 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.973 6.862 2.404 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.565 6.183 2.680 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.439 6.777 5.158 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.786 7.328 4.975 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.625 9.103 3.388 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.152 7.479 5.271 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.208 8.894 5.206 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.918 10.789 3.345 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.514 10.787 4.102 1.00 36.39 H new ATOM 680 N LEU A 43 -3.130 3.524 2.655 1.00 4.65 N ATOM 681 CA LEU A 43 -2.052 2.534 3.012 1.00 3.51 C ATOM 682 C LEU A 43 -1.277 3.354 4.044 1.00 5.56 C ATOM 683 O LEU A 43 -0.943 4.544 3.855 1.00 4.19 O ATOM 684 CB LEU A 43 -1.137 1.971 1.884 1.00 3.74 C ATOM 685 CG LEU A 43 -1.847 1.162 0.772 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.712 0.642 -0.145 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.717 -0.015 1.252 1.00 6.41 C ATOM 0 H LEU A 43 -2.811 4.378 2.198 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.483 1.587 3.338 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.612 2.806 1.419 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.380 1.334 2.342 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.560 1.819 0.273 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.141 0.058 -0.959 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.161 1.487 -0.557 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.035 0.015 0.434 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.166 -0.510 0.391 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.097 -0.726 1.798 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.504 0.358 1.907 1.00 6.41 H new ATOM 699 N ILE A 44 -0.939 2.639 5.113 1.00 4.58 N ATOM 700 CA ILE A 44 -0.121 3.107 6.218 1.00 5.55 C ATOM 701 C ILE A 44 1.144 2.296 6.417 1.00 5.46 C ATOM 702 O ILE A 44 1.081 1.047 6.380 1.00 6.04 O ATOM 703 CB ILE A 44 -0.957 3.167 7.554 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.839 4.477 7.708 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.031 3.145 8.826 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.990 4.664 6.732 1.00 13.90 C ATOM 0 H ILE A 44 -1.244 1.673 5.234 1.00 4.58 H new ATOM 0 HA ILE A 44 0.197 4.115 5.950 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.616 2.300 7.510 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.248 4.491 8.718 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.179 5.340 7.620 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.556 3.187 9.743 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.620 2.228 8.813 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.699 4.005 8.783 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.506 5.599 6.952 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.602 4.695 5.714 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.688 3.833 6.829 1.00 13.90 H new ATOM 718 N PHE A 45 2.326 2.943 6.509 1.00 6.75 N ATOM 719 CA PHE A 45 3.593 2.351 6.794 1.00 4.70 C ATOM 720 C PHE A 45 4.066 2.958 8.044 1.00 6.34 C ATOM 721 O PHE A 45 4.209 4.202 8.069 1.00 5.45 O ATOM 722 CB PHE A 45 4.653 2.621 5.629 1.00 5.51 C ATOM 723 CG PHE A 45 6.017 2.004 5.977 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.252 0.617 5.959 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.069 2.886 6.317 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.488 0.140 6.412 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.325 2.379 6.762 1.00 6.64 C ATOM 728 CZ PHE A 45 8.537 1.000 6.839 1.00 6.84 C ATOM 0 H PHE A 45 2.394 3.952 6.373 1.00 6.75 H new ATOM 0 HA PHE A 45 3.487 1.269 6.878 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.286 2.199 4.693 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.763 3.694 5.474 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.495 -0.066 5.603 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.920 3.953 6.239 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.652 -0.927 6.438 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.114 3.062 7.040 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.468 0.600 7.211 1.00 6.84 H new ATOM 738 N ALA A 46 4.306 2.249 9.090 1.00 6.53 N ATOM 739 CA ALA A 46 4.884 2.640 10.406 1.00 7.15 C ATOM 740 C ALA A 46 4.212 3.898 11.049 1.00 9.00 C ATOM 741 O ALA A 46 4.867 4.840 11.517 1.00 11.15 O ATOM 742 CB ALA A 46 6.433 2.977 10.210 1.00 8.99 C ATOM 0 H ALA A 46 4.088 1.253 9.082 1.00 6.53 H new ATOM 0 HA ALA A 46 4.713 1.796 11.074 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.867 3.265 11.168 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.951 2.098 9.827 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.540 3.799 9.502 1.00 8.99 H new ATOM 748 N GLY A 47 2.837 3.861 11.094 1.00 9.35 N ATOM 749 CA GLY A 47 2.010 4.975 11.547 1.00 11.68 C ATOM 750 C GLY A 47 1.777 6.054 10.559 1.00 11.14 C ATOM 751 O GLY A 47 1.005 6.978 10.827 1.00 13.93 O ATOM 0 H GLY A 47 2.296 3.044 10.811 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.043 4.580 11.859 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.476 5.412 12.430 1.00 11.68 H new ATOM 755 N LYS A 48 2.372 6.017 9.367 1.00 10.47 N ATOM 756 CA LYS A 48 2.295 7.135 8.446 1.00 8.82 C ATOM 757 C LYS A 48 1.609 6.772 7.185 1.00 7.68 C ATOM 758 O LYS A 48 1.817 5.657 6.666 1.00 6.47 O ATOM 759 CB LYS A 48 3.809 7.481 8.102 1.00 9.74 C ATOM 760 CG LYS A 48 4.754 7.652 9.317 1.00 14.14 C ATOM 761 CD LYS A 48 6.161 8.100 8.924 1.00 16.32 C ATOM 762 CE LYS A 48 6.917 7.135 8.097 1.00 20.04 C ATOM 763 NZ LYS A 48 8.193 7.731 7.804 1.00 23.92 N ATOM 0 H LYS A 48 2.911 5.222 9.023 1.00 10.47 H new ATOM 0 HA LYS A 48 1.737 7.958 8.892 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.207 6.691 7.465 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.828 8.401 7.518 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.325 8.382 10.003 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.817 6.707 9.856 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.087 9.042 8.380 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.729 8.300 9.832 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.046 6.192 8.628 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.377 6.911 7.177 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.755 7.078 7.221 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.050 8.622 7.286 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.698 7.924 8.692 1.00 23.92 H new ATOM 777 N GLN A 49 0.715 7.670 6.666 1.00 8.89 N ATOM 778 CA GLN A 49 0.115 7.604 5.350 1.00 7.18 C ATOM 779 C GLN A 49 1.101 7.616 4.169 1.00 8.23 C ATOM 780 O GLN A 49 2.084 8.315 4.219 1.00 9.70 O ATOM 781 CB GLN A 49 -0.875 8.740 5.069 1.00 11.67 C ATOM 782 CG GLN A 49 -2.103 8.589 6.005 1.00 15.82 C ATOM 783 CD GLN A 49 -3.173 9.674 5.759 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.033 10.640 5.050 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.310 9.476 6.401 1.00 20.67 N ATOM 0 H GLN A 49 0.399 8.481 7.197 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.384 6.636 5.401 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.395 9.705 5.231 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.192 8.713 4.026 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.548 7.605 5.858 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.773 8.638 7.043 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.422 8.657 6.999 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.076 10.142 6.299 1.00 20.67 H new ATOM 794 N LEU A 50 0.832 6.828 3.149 1.00 6.51 N ATOM 795 CA LEU A 50 1.611 6.760 1.926 1.00 7.41 C ATOM 796 C LEU A 50 0.873 7.464 0.824 1.00 8.27 C ATOM 797 O LEU A 50 -0.321 7.223 0.459 1.00 8.34 O ATOM 798 CB LEU A 50 1.939 5.266 1.479 1.00 7.13 C ATOM 799 CG LEU A 50 2.718 4.461 2.555 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.654 2.984 2.065 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.230 4.823 2.676 1.00 9.11 C ATOM 0 H LEU A 50 0.034 6.192 3.147 1.00 6.51 H new ATOM 0 HA LEU A 50 2.564 7.249 2.125 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.007 4.749 1.252 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.523 5.289 0.559 1.00 7.13 H new ATOM 0 HG LEU A 50 2.271 4.668 3.528 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.183 2.343 2.771 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.613 2.668 1.997 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.121 2.906 1.083 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.690 4.211 3.452 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.726 4.636 1.724 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.332 5.876 2.937 1.00 9.11 H new ATOM 813 N GLU A 51 1.500 8.455 0.168 1.00 9.43 N ATOM 814 CA GLU A 51 0.840 9.347 -0.859 1.00 11.90 C ATOM 815 C GLU A 51 1.204 8.758 -2.214 1.00 11.49 C ATOM 816 O GLU A 51 2.397 8.384 -2.430 1.00 9.88 O ATOM 817 CB GLU A 51 1.300 10.811 -0.821 1.00 16.56 C ATOM 818 CG GLU A 51 1.133 11.420 0.615 1.00 26.06 C ATOM 819 CD GLU A 51 1.626 12.861 0.710 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.192 13.771 0.011 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.541 13.142 1.500 1.00 33.44 O ATOM 0 H GLU A 51 2.483 8.678 0.320 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.230 9.373 -0.654 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.344 10.875 -1.127 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.722 11.396 -1.536 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.082 11.381 0.900 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.680 10.806 1.330 1.00 26.06 H new ATOM 828 N ASP A 52 0.261 8.686 -3.132 1.00 12.71 N ATOM 829 CA ASP A 52 0.173 8.046 -4.483 1.00 16.56 C ATOM 830 C ASP A 52 1.344 8.352 -5.480 1.00 15.83 C ATOM 831 O ASP A 52 1.911 7.419 -6.048 1.00 17.21 O ATOM 832 CB ASP A 52 -1.205 8.494 -5.138 1.00 21.05 C ATOM 833 CG ASP A 52 -2.265 8.165 -4.155 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.579 6.958 -3.999 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.888 9.071 -3.558 1.00 28.37 O ATOM 0 H ASP A 52 -0.626 9.149 -2.935 1.00 12.71 H new ATOM 0 HA ASP A 52 0.245 6.972 -4.310 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.200 9.561 -5.361 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.374 7.973 -6.080 1.00 21.05 H new ATOM 840 N GLY A 53 1.681 9.661 -5.644 1.00 15.00 N ATOM 841 CA GLY A 53 2.634 10.148 -6.574 1.00 11.77 C ATOM 842 C GLY A 53 4.004 10.327 -5.895 1.00 11.10 C ATOM 843 O GLY A 53 4.725 11.249 -6.256 1.00 11.25 O ATOM 0 H GLY A 53 1.256 10.404 -5.090 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.723 9.454 -7.410 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.297 11.100 -6.984 1.00 11.77 H new ATOM 847 N ARG A 54 4.396 9.333 -5.036 1.00 8.53 N ATOM 848 CA ARG A 54 5.714 9.202 -4.463 1.00 9.05 C ATOM 849 C ARG A 54 6.114 7.673 -4.523 1.00 8.96 C ATOM 850 O ARG A 54 5.276 6.821 -4.819 1.00 11.60 O ATOM 851 CB ARG A 54 5.883 9.581 -2.991 1.00 7.97 C ATOM 852 CG ARG A 54 5.302 10.936 -2.523 1.00 9.62 C ATOM 853 CD ARG A 54 5.769 11.360 -1.129 1.00 12.20 C ATOM 854 NE ARG A 54 4.893 12.448 -0.670 1.00 18.23 N ATOM 855 CZ ARG A 54 5.166 13.745 -0.750 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.130 14.209 -1.483 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.593 14.526 0.156 1.00 23.38 N ATOM 0 H ARG A 54 3.760 8.595 -4.735 1.00 8.53 H new ATOM 0 HA ARG A 54 6.321 9.895 -5.045 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.427 8.795 -2.389 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.949 9.578 -2.765 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.582 11.708 -3.240 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.214 10.875 -2.529 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.724 10.517 -0.439 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.807 11.693 -1.159 1.00 12.20 H new ATOM 0 HE ARG A 54 4.000 12.184 -0.255 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.711 13.570 -2.025 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.307 15.213 -1.517 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.980 14.121 0.864 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.765 15.531 0.145 1.00 23.38 H new ATOM 871 N THR A 55 7.395 7.303 -4.271 1.00 9.05 N ATOM 872 CA THR A 55 7.812 5.911 -4.417 1.00 9.03 C ATOM 873 C THR A 55 8.097 5.200 -3.126 1.00 8.15 C ATOM 874 O THR A 55 8.163 5.816 -2.046 1.00 5.91 O ATOM 875 CB THR A 55 9.059 5.799 -5.366 1.00 11.15 C ATOM 876 OG1 THR A 55 10.220 6.515 -4.955 1.00 11.95 O ATOM 877 CG2 THR A 55 8.665 6.291 -6.769 1.00 11.71 C ATOM 0 H THR A 55 8.132 7.942 -3.973 1.00 9.05 H new ATOM 0 HA THR A 55 6.951 5.407 -4.856 1.00 9.03 H new ATOM 0 HB THR A 55 9.336 4.745 -5.343 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.996 7.461 -4.836 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.525 6.217 -7.435 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.852 5.676 -7.155 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.338 7.329 -6.712 1.00 11.71 H new ATOM 885 N LEU A 56 8.247 3.824 -3.127 1.00 6.91 N ATOM 886 CA LEU A 56 8.505 2.969 -1.952 1.00 8.29 C ATOM 887 C LEU A 56 9.876 3.301 -1.242 1.00 8.05 C ATOM 888 O LEU A 56 9.929 3.357 -0.026 1.00 10.17 O ATOM 889 CB LEU A 56 8.483 1.447 -2.272 1.00 6.60 C ATOM 890 CG LEU A 56 7.062 0.890 -2.714 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.237 -0.391 -3.486 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.219 0.585 -1.455 1.00 8.64 C ATOM 0 H LEU A 56 8.185 3.283 -3.989 1.00 6.91 H new ATOM 0 HA LEU A 56 7.678 3.199 -1.280 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.202 1.245 -3.066 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.817 0.898 -1.392 1.00 6.60 H new ATOM 0 HG LEU A 56 6.565 1.636 -3.334 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.261 -0.770 -3.788 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.842 -0.202 -4.372 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.735 -1.129 -2.858 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.243 0.203 -1.754 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.730 -0.161 -0.847 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.088 1.498 -0.875 1.00 8.64 H new ATOM 904 N SER A 57 10.926 3.578 -2.068 1.00 8.92 N ATOM 905 CA SER A 57 12.217 4.063 -1.536 1.00 9.00 C ATOM 906 C SER A 57 12.122 5.410 -0.829 1.00 9.44 C ATOM 907 O SER A 57 12.801 5.649 0.188 1.00 10.91 O ATOM 908 CB SER A 57 13.269 4.180 -2.634 1.00 10.32 C ATOM 909 OG SER A 57 13.034 5.179 -3.643 1.00 13.59 O ATOM 0 H SER A 57 10.898 3.474 -3.082 1.00 8.92 H new ATOM 0 HA SER A 57 12.510 3.311 -0.803 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.231 4.388 -2.165 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.358 3.212 -3.126 1.00 10.32 H new ATOM 0 HG SER A 57 13.768 5.167 -4.292 1.00 13.59 H new ATOM 915 N ASP A 58 11.335 6.362 -1.369 1.00 9.11 N ATOM 916 CA ASP A 58 11.128 7.670 -0.747 1.00 7.91 C ATOM 917 C ASP A 58 10.615 7.666 0.692 1.00 9.12 C ATOM 918 O ASP A 58 10.794 8.583 1.483 1.00 8.61 O ATOM 919 CB ASP A 58 9.988 8.490 -1.465 1.00 8.41 C ATOM 920 CG ASP A 58 10.343 8.979 -2.815 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.440 9.614 -2.972 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.623 8.781 -3.819 1.00 11.70 O ATOM 0 H ASP A 58 10.830 6.239 -2.246 1.00 9.11 H new ATOM 0 HA ASP A 58 12.134 8.083 -0.815 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.100 7.863 -1.541 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.723 9.344 -0.841 1.00 8.41 H new ATOM 927 N TYR A 59 9.987 6.582 1.118 1.00 7.97 N ATOM 928 CA TYR A 59 9.469 6.418 2.457 1.00 8.45 C ATOM 929 C TYR A 59 10.347 5.384 3.253 1.00 10.98 C ATOM 930 O TYR A 59 9.942 4.972 4.327 1.00 12.95 O ATOM 931 CB TYR A 59 8.011 5.889 2.354 1.00 7.94 C ATOM 932 CG TYR A 59 7.067 6.985 1.933 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.722 7.894 2.965 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.383 6.965 0.720 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.717 8.821 2.839 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.392 7.954 0.529 1.00 6.52 C ATOM 937 CZ TYR A 59 5.017 8.820 1.601 1.00 6.76 C ATOM 938 OH TYR A 59 4.022 9.687 1.353 1.00 7.63 O ATOM 0 H TYR A 59 9.821 5.772 0.521 1.00 7.97 H new ATOM 0 HA TYR A 59 9.492 7.373 2.983 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.967 5.071 1.635 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.698 5.485 3.317 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.275 7.855 3.892 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.600 6.228 -0.039 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.472 9.511 3.633 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.915 8.056 -0.434 1.00 6.52 H new ATOM 0 HH TYR A 59 4.391 10.590 1.256 1.00 7.63 H new ATOM 948 N ASN A 60 11.520 4.962 2.693 1.00 12.38 N ATOM 949 CA ASN A 60 12.567 4.051 3.120 1.00 13.94 C ATOM 950 C ASN A 60 12.011 2.658 3.486 1.00 14.16 C ATOM 951 O ASN A 60 12.337 2.077 4.529 1.00 14.26 O ATOM 952 CB ASN A 60 13.372 4.542 4.323 1.00 19.23 C ATOM 953 CG ASN A 60 13.907 5.968 4.157 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.274 6.975 4.492 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.180 6.123 3.724 1.00 24.09 N ATOM 0 H ASN A 60 11.767 5.334 1.776 1.00 12.38 H new ATOM 0 HA ASN A 60 13.225 3.996 2.253 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.744 4.499 5.213 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.210 3.865 4.491 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.594 7.054 3.680 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.725 5.309 3.441 1.00 24.09 H new ATOM 962 N ILE A 61 11.155 2.047 2.610 1.00 11.08 N ATOM 963 CA ILE A 61 10.608 0.747 2.856 1.00 11.78 C ATOM 964 C ILE A 61 11.588 -0.289 2.308 1.00 13.74 C ATOM 965 O ILE A 61 11.989 -0.186 1.178 1.00 14.60 O ATOM 966 CB ILE A 61 9.311 0.570 2.128 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.178 1.442 2.879 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.836 -0.884 1.836 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.917 1.686 2.014 1.00 11.42 C ATOM 0 H ILE A 61 10.850 2.468 1.732 1.00 11.08 H new ATOM 0 HA ILE A 61 10.442 0.629 3.927 1.00 11.78 H new ATOM 0 HB ILE A 61 9.497 0.935 1.118 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.887 0.932 3.797 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.602 2.403 3.169 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.885 -0.856 1.305 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.579 -1.393 1.223 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.711 -1.422 2.776 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.197 2.278 2.579 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.196 2.223 1.107 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.469 0.729 1.746 1.00 11.42 H new ATOM 981 N GLN A 62 11.993 -1.260 3.159 1.00 13.97 N ATOM 982 CA GLN A 62 12.896 -2.298 2.794 1.00 15.52 C ATOM 983 C GLN A 62 12.132 -3.617 2.615 1.00 13.94 C ATOM 984 O GLN A 62 10.967 -3.672 2.897 1.00 12.15 O ATOM 985 CB GLN A 62 13.944 -2.503 3.862 1.00 19.53 C ATOM 986 CG GLN A 62 14.795 -1.243 4.271 1.00 26.38 C ATOM 987 CD GLN A 62 15.711 -0.756 3.116 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.253 0.170 2.388 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.818 -1.467 2.971 1.00 32.71 N ATOM 0 H GLN A 62 11.678 -1.317 4.127 1.00 13.97 H new ATOM 0 HA GLN A 62 13.379 -2.005 1.862 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.449 -2.883 4.755 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.629 -3.280 3.522 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.126 -0.435 4.568 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.406 -1.486 5.140 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.053 -2.189 3.652 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.436 -1.293 2.178 1.00 32.71 H new ATOM 998 N LYS A 63 12.787 -4.724 2.223 1.00 11.73 N ATOM 999 CA LYS A 63 12.017 -5.974 2.027 1.00 11.97 C ATOM 1000 C LYS A 63 11.430 -6.612 3.298 1.00 10.41 C ATOM 1001 O LYS A 63 12.012 -6.568 4.405 1.00 9.59 O ATOM 1002 CB LYS A 63 12.880 -7.033 1.372 1.00 13.73 C ATOM 1003 CG LYS A 63 14.241 -7.199 1.997 1.00 16.98 C ATOM 1004 CD LYS A 63 15.129 -8.181 1.213 1.00 20.19 C ATOM 1005 CE LYS A 63 16.434 -8.587 2.002 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.315 -9.447 1.159 1.00 25.97 N ATOM 0 H LYS A 63 13.789 -4.787 2.043 1.00 11.73 H new ATOM 0 HA LYS A 63 11.180 -5.655 1.405 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.356 -7.988 1.412 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.005 -6.782 0.319 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.735 -6.229 2.049 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.127 -7.554 3.021 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.555 -9.078 0.982 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.410 -7.730 0.262 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.975 -7.691 2.305 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.163 -9.119 2.914 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.168 -9.703 1.697 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.803 -10.311 0.891 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.590 -8.927 0.301 1.00 25.97 H new ATOM 1020 N GLU A 64 10.298 -7.280 3.199 1.00 10.04 N ATOM 1021 CA GLU A 64 9.512 -7.962 4.246 1.00 10.94 C ATOM 1022 C GLU A 64 8.799 -7.015 5.316 1.00 9.74 C ATOM 1023 O GLU A 64 8.381 -7.304 6.445 1.00 9.42 O ATOM 1024 CB GLU A 64 10.379 -9.098 4.952 1.00 18.31 C ATOM 1025 CG GLU A 64 10.724 -10.234 4.024 1.00 24.16 C ATOM 1026 CD GLU A 64 11.589 -11.320 4.525 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.270 -11.845 5.614 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.560 -11.698 3.857 1.00 31.72 O ATOM 0 H GLU A 64 9.845 -7.377 2.290 1.00 10.04 H new ATOM 0 HA GLU A 64 8.678 -8.416 3.711 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.299 -8.659 5.338 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.829 -9.489 5.808 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.789 -10.684 3.690 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.205 -9.807 3.144 1.00 24.16 H new ATOM 1035 N SER A 65 8.770 -5.764 4.945 1.00 6.85 N ATOM 1036 CA SER A 65 8.035 -4.718 5.580 1.00 6.90 C ATOM 1037 C SER A 65 6.553 -5.030 5.456 1.00 4.72 C ATOM 1038 O SER A 65 6.066 -5.539 4.454 1.00 3.91 O ATOM 1039 CB SER A 65 8.120 -3.384 4.809 1.00 7.28 C ATOM 1040 OG SER A 65 9.405 -2.830 4.918 1.00 10.56 O ATOM 0 H SER A 65 9.296 -5.432 4.137 1.00 6.85 H new ATOM 0 HA SER A 65 8.435 -4.645 6.592 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.877 -3.549 3.759 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.382 -2.684 5.201 1.00 7.28 H new ATOM 0 HG SER A 65 9.952 -3.122 4.159 1.00 10.56 H new ATOM 1046 N THR A 66 5.816 -4.707 6.526 1.00 4.48 N ATOM 1047 CA THR A 66 4.350 -4.882 6.501 1.00 3.80 C ATOM 1048 C THR A 66 3.673 -3.532 6.385 1.00 4.60 C ATOM 1049 O THR A 66 4.033 -2.589 7.081 1.00 5.33 O ATOM 1050 CB THR A 66 3.868 -5.407 7.842 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.225 -6.774 7.940 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.366 -5.396 7.927 1.00 3.40 C ATOM 0 H THR A 66 6.192 -4.334 7.398 1.00 4.48 H new ATOM 0 HA THR A 66 4.120 -5.551 5.672 1.00 3.80 H new ATOM 0 HB THR A 66 4.307 -4.780 8.618 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.923 -7.130 8.802 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.054 -5.778 8.899 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.002 -4.376 7.804 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.952 -6.026 7.140 1.00 3.40 H new ATOM 1060 N LEU A 67 2.798 -3.413 5.410 1.00 4.17 N ATOM 1061 CA LEU A 67 1.972 -2.222 5.215 1.00 3.85 C ATOM 1062 C LEU A 67 0.593 -2.456 5.802 1.00 3.80 C ATOM 1063 O LEU A 67 0.071 -3.561 5.772 1.00 5.54 O ATOM 1064 CB LEU A 67 1.862 -1.728 3.738 1.00 7.18 C ATOM 1065 CG LEU A 67 2.996 -0.983 3.104 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.386 -1.694 3.209 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.591 -0.534 1.638 1.00 11.66 C ATOM 0 H LEU A 67 2.632 -4.144 4.718 1.00 4.17 H new ATOM 0 HA LEU A 67 2.484 -1.416 5.741 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.665 -2.603 3.119 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.981 -1.089 3.676 1.00 7.18 H new ATOM 0 HG LEU A 67 3.164 -0.080 3.690 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.146 -1.082 2.723 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.647 -1.830 4.259 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.335 -2.666 2.719 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.419 0.008 1.181 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.359 -1.414 1.039 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.716 0.114 1.685 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.121 -1.440 6.244 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.399 -1.566 6.874 1.00 4.17 C ATOM 1081 C HIS A 68 -2.441 -1.008 6.015 1.00 5.32 C ATOM 1082 O HIS A 68 -2.363 0.138 5.596 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.585 -0.691 8.225 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.421 -0.828 9.163 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.924 -0.465 8.922 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.352 -1.517 10.379 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.688 -0.932 9.989 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.906 -1.563 10.888 1.00 16.30 N ATOM 0 H HIS A 68 0.194 -0.473 6.166 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.468 -2.634 7.080 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.712 0.359 7.960 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.497 -1.004 8.734 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.273 0.047 8.112 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.208 -1.965 10.861 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.757 -0.806 10.083 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.432 -1.778 5.532 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.445 -1.339 4.602 1.00 3.97 C ATOM 1098 C LEU A 69 -5.664 -0.806 5.409 1.00 5.07 C ATOM 1099 O LEU A 69 -6.170 -1.510 6.288 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.872 -2.462 3.638 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.893 -2.054 2.572 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.711 -2.735 1.199 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.360 -2.282 3.020 1.00 9.96 C ATOM 0 H LEU A 69 -3.539 -2.757 5.799 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.031 -0.543 3.983 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.983 -2.847 3.138 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.289 -3.282 4.223 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.692 -0.989 2.453 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.481 -2.382 0.513 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.727 -2.489 0.799 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.796 -3.815 1.315 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -8.036 -1.974 2.222 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.514 -3.339 3.238 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.563 -1.694 3.915 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.050 0.468 5.209 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.237 0.994 5.885 1.00 6.26 C ATOM 1117 C VAL A 70 -8.165 1.336 4.776 1.00 9.22 C ATOM 1118 O VAL A 70 -7.880 2.080 3.845 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.870 2.303 6.687 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.169 2.922 7.257 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.868 2.034 7.773 1.00 8.54 C ATOM 0 H VAL A 70 -5.569 1.131 4.601 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.662 0.284 6.595 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.398 3.012 6.007 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.927 3.828 7.813 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.844 3.169 6.438 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.652 2.206 7.922 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.644 2.962 8.299 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.278 1.308 8.475 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.953 1.636 7.334 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.404 0.831 4.892 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.469 1.200 3.951 1.00 16.06 C ATOM 1133 C LEU A 71 -10.767 2.732 3.932 1.00 18.09 C ATOM 1134 O LEU A 71 -10.795 3.348 4.985 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.639 0.347 4.164 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.372 -1.103 3.768 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.577 -1.921 4.043 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.969 -1.262 2.358 1.00 19.57 C ATOM 0 H LEU A 71 -9.689 0.175 5.619 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.122 1.007 2.936 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.931 0.388 5.213 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.478 0.732 3.585 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.530 -1.445 4.370 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.386 -2.956 3.760 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.815 -1.873 5.106 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.418 -1.536 3.466 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.796 -2.317 2.146 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.760 -0.887 1.709 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.053 -0.700 2.176 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.889 3.299 2.685 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.079 4.692 2.491 1.00 25.83 C ATOM 1152 C ARG A 72 -12.416 5.035 1.862 1.00 27.74 C ATOM 1153 O ARG A 72 -12.748 4.540 0.810 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.954 5.376 1.612 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.230 6.912 1.487 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.160 7.625 0.601 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.405 9.042 0.727 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.708 10.114 0.285 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -7.465 9.905 -0.122 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.177 11.312 0.461 1.00 35.02 N ATOM 0 H ARG A 72 -10.852 2.762 1.818 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.034 5.086 3.506 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.976 5.210 2.065 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.928 4.921 0.622 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.220 7.069 1.058 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.237 7.362 2.480 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.152 7.374 0.932 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.242 7.308 -0.438 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.254 9.277 1.240 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.071 8.965 -0.094 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.902 10.684 -0.463 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.071 11.445 0.933 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.651 12.120 0.128 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.160 5.937 2.513 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.337 6.584 1.989 1.00 30.76 C ATOM 1176 C LEU A 73 -14.049 7.836 1.228 1.00 32.18 C ATOM 1177 O LEU A 73 -13.063 8.515 1.455 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.436 6.883 3.102 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.872 5.664 4.028 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.840 6.052 5.097 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.418 4.511 3.167 1.00 29.11 C ATOM 0 H LEU A 73 -12.936 6.239 3.461 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.741 5.853 1.289 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.061 7.680 3.744 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.327 7.267 2.605 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.977 5.325 4.550 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.096 5.175 5.692 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.388 6.808 5.740 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.743 6.457 4.640 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.713 3.683 3.812 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.284 4.857 2.602 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.645 4.175 2.476 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.951 8.130 0.333 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.877 9.394 -0.404 1.00 35.33 C ATOM 1195 C ARG A 74 -14.777 10.642 0.526 1.00 36.22 C ATOM 1196 O ARG A 74 -13.934 11.512 0.441 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.012 9.680 -1.384 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.118 8.645 -2.535 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.265 8.896 -3.519 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.250 7.791 -4.551 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.700 7.859 -5.820 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.115 8.974 -6.282 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.766 6.789 -6.545 1.00 41.93 N ATOM 0 H ARG A 74 -15.740 7.533 0.087 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.963 9.238 -0.977 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.955 9.701 -0.838 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.869 10.672 -1.812 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.178 8.639 -3.087 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.240 7.652 -2.102 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.220 8.913 -2.994 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.148 9.867 -4.000 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.688 6.909 -4.286 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.066 9.805 -5.693 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.720 8.990 -7.222 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.208 5.948 -6.174 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.376 6.787 -7.487 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.749 10.730 1.447 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.947 11.911 2.241 1.00 36.07 C ATOM 1219 C GLY A 75 -15.198 12.046 3.535 1.00 36.16 C ATOM 1220 O GLY A 75 -15.468 12.919 4.345 1.00 36.26 O ATOM 0 H GLY A 75 -16.408 9.977 1.647 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.694 12.771 1.622 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.011 11.983 2.466 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.225 11.092 3.806 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.547 11.134 5.075 1.00 36.19 C ATOM 1226 C GLY A 76 -12.070 10.827 4.945 1.00 36.20 C ATOM 1227 O GLY A 76 -11.253 11.503 4.295 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.751 9.758 5.523 1.00 0.00 O ATOM 0 H GLY A 76 -13.938 10.345 3.174 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.673 12.121 5.520 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.007 10.417 5.755 1.00 36.19 H new TER 1232 GLY A 76