USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 581 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 60 ASN : amide:sc= 0.191 K(o=-0.56,f=-2) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.754 K(o=-0.56,f=-1.5) USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 0.511 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.338 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 165:sc= 1.33 (180deg=-0.0609) USER MOD Set 3.2: A 68 HIS : no HE2:sc= 0.815 K(o=2.1,f=-8.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0627 (180deg=-0.0627) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.78 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc=-0.00406 X(o=-0.0041,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0307) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.472 USER MOD Single : A 20 SER OG : rot -36:sc= 0.0722 USER MOD Single : A 22 THR OG1 : rot 49:sc= 0.992 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= 0.0826 (180deg=-0.135) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc=0.000595 X(o=0.0006,f=0.017) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0387) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.0909 K(o=0.091,f=-0.79) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.578 K(o=0.58,f=-0.13) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 167:sc= 1.64 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -112:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.614 -2.253 3.205 1.00 0.00 N ATOM 2 CA MET A 1 -13.152 -2.658 1.870 1.00 0.00 C ATOM 3 C MET A 1 -11.918 -3.526 2.025 1.00 0.00 C ATOM 4 O MET A 1 -11.312 -3.576 3.090 1.00 0.00 O ATOM 5 CB MET A 1 -12.763 -1.472 0.972 1.00 0.00 C ATOM 6 CG MET A 1 -13.910 -0.544 0.597 1.00 0.00 C ATOM 7 SD MET A 1 -14.409 0.586 1.907 1.00 0.00 S ATOM 8 CE MET A 1 -15.451 1.694 0.925 1.00 0.00 C ATOM 0 H1 MET A 1 -14.276 -1.456 3.116 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.095 -3.053 3.663 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.798 -1.963 3.781 1.00 0.00 H new ATOM 0 HA MET A 1 -13.983 -3.182 1.399 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.995 -0.888 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.316 -1.860 0.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.620 0.038 -0.278 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.770 -1.148 0.307 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.859 2.474 1.568 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.854 2.150 0.135 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.268 1.126 0.480 1.00 0.00 H new ATOM 18 N GLN A 2 -11.510 -4.210 0.963 1.00 0.00 N ATOM 19 CA GLN A 2 -10.319 -5.039 0.936 1.00 0.00 C ATOM 20 C GLN A 2 -9.587 -4.662 -0.346 1.00 0.00 C ATOM 21 O GLN A 2 -10.226 -4.159 -1.272 1.00 0.00 O ATOM 22 CB GLN A 2 -10.667 -6.537 0.992 1.00 0.00 C ATOM 23 CG GLN A 2 -11.418 -7.037 -0.248 1.00 0.00 C ATOM 24 CD GLN A 2 -11.556 -8.555 -0.260 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.232 -9.144 0.587 1.00 0.00 O ATOM 26 NE2 GLN A 2 -10.935 -9.221 -1.213 1.00 0.00 N ATOM 0 H GLN A 2 -12.014 -4.201 0.076 1.00 0.00 H new ATOM 0 HA GLN A 2 -9.690 -4.867 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -9.748 -7.111 1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.275 -6.728 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.408 -6.583 -0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.891 -6.714 -1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -10.380 -8.720 -1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.010 -10.237 -1.257 1.00 0.00 H new ATOM 35 N ILE A 3 -8.276 -4.857 -0.397 1.00 0.00 N ATOM 36 CA ILE A 3 -7.447 -4.577 -1.565 1.00 0.00 C ATOM 37 C ILE A 3 -6.360 -5.649 -1.595 1.00 0.00 C ATOM 38 O ILE A 3 -6.066 -6.272 -0.567 1.00 0.00 O ATOM 39 CB ILE A 3 -6.871 -3.133 -1.612 1.00 0.00 C ATOM 40 CG1 ILE A 3 -5.622 -2.875 -0.740 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.935 -2.047 -1.362 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.825 -3.118 0.755 1.00 0.00 C ATOM 0 H ILE A 3 -7.745 -5.224 0.393 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.063 -4.618 -2.464 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.527 -3.056 -2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.812 -3.514 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.300 -1.844 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.468 -1.063 -1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.712 -2.116 -2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.379 -2.192 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.896 -2.912 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.610 -2.460 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.114 -4.156 0.919 1.00 0.00 H new ATOM 54 N PHE A 4 -5.791 -5.875 -2.771 1.00 0.00 N ATOM 55 CA PHE A 4 -4.738 -6.836 -3.018 1.00 0.00 C ATOM 56 C PHE A 4 -3.405 -6.100 -3.021 1.00 0.00 C ATOM 57 O PHE A 4 -3.318 -4.946 -3.451 1.00 0.00 O ATOM 58 CB PHE A 4 -4.942 -7.498 -4.390 1.00 0.00 C ATOM 59 CG PHE A 4 -6.270 -8.205 -4.572 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.525 -9.385 -3.857 1.00 0.00 C ATOM 61 CD2 PHE A 4 -7.248 -7.692 -5.444 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.750 -10.060 -4.020 1.00 0.00 C ATOM 63 CE2 PHE A 4 -8.482 -8.349 -5.588 1.00 0.00 C ATOM 64 CZ PHE A 4 -8.730 -9.541 -4.887 1.00 0.00 C ATOM 0 H PHE A 4 -6.067 -5.369 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.754 -7.603 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.846 -6.735 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.140 -8.218 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.780 -9.776 -3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.050 -6.790 -6.004 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.938 -10.976 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.240 -7.937 -6.238 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.670 -10.058 -5.013 1.00 0.00 H new ATOM 74 N VAL A 5 -2.352 -6.784 -2.594 1.00 0.00 N ATOM 75 CA VAL A 5 -0.997 -6.270 -2.547 1.00 0.00 C ATOM 76 C VAL A 5 -0.118 -7.358 -3.159 1.00 0.00 C ATOM 77 O VAL A 5 -0.137 -8.494 -2.674 1.00 0.00 O ATOM 78 CB VAL A 5 -0.582 -5.861 -1.121 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.794 -5.185 -1.178 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.584 -4.884 -0.477 1.00 0.00 C ATOM 0 H VAL A 5 -2.424 -7.745 -2.260 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.894 -5.345 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.556 -6.765 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.097 -4.891 -0.173 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.525 -5.882 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.739 -4.301 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.247 -4.626 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.650 -3.979 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.566 -5.354 -0.420 1.00 0.00 H new ATOM 90 N LYS A 6 0.545 -7.060 -4.282 1.00 0.00 N ATOM 91 CA LYS A 6 1.428 -8.013 -4.955 1.00 0.00 C ATOM 92 C LYS A 6 2.824 -7.831 -4.369 1.00 0.00 C ATOM 93 O LYS A 6 3.319 -6.705 -4.365 1.00 0.00 O ATOM 94 CB LYS A 6 1.454 -7.794 -6.479 1.00 0.00 C ATOM 95 CG LYS A 6 2.241 -8.910 -7.207 1.00 0.00 C ATOM 96 CD LYS A 6 1.375 -10.024 -7.816 1.00 0.00 C ATOM 97 CE LYS A 6 0.513 -9.560 -9.000 1.00 0.00 C ATOM 98 NZ LYS A 6 1.290 -9.002 -10.131 1.00 0.00 N ATOM 0 H LYS A 6 0.484 -6.154 -4.747 1.00 0.00 H new ATOM 0 HA LYS A 6 1.063 -9.027 -4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.433 -7.762 -6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.906 -6.827 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.834 -8.457 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.941 -9.359 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.023 -10.836 -8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.724 -10.430 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.076 -10.404 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.191 -8.805 -8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.685 -8.949 -10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.626 -8.049 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.106 -9.616 -10.328 1.00 0.00 H new ATOM 112 N THR A 7 3.430 -8.889 -3.837 1.00 0.00 N ATOM 113 CA THR A 7 4.769 -8.832 -3.265 1.00 0.00 C ATOM 114 C THR A 7 5.809 -8.947 -4.375 1.00 0.00 C ATOM 115 O THR A 7 5.511 -9.481 -5.451 1.00 0.00 O ATOM 116 CB THR A 7 4.970 -9.972 -2.249 1.00 0.00 C ATOM 117 OG1 THR A 7 5.027 -11.228 -2.897 1.00 0.00 O ATOM 118 CG2 THR A 7 3.872 -10.021 -1.187 1.00 0.00 C ATOM 0 H THR A 7 3.002 -9.814 -3.791 1.00 0.00 H new ATOM 0 HA THR A 7 4.888 -7.878 -2.751 1.00 0.00 H new ATOM 0 HB THR A 7 5.918 -9.761 -1.753 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.884 -11.660 -2.699 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.067 -10.844 -0.500 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.858 -9.082 -0.634 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.906 -10.172 -1.669 1.00 0.00 H new ATOM 126 N LEU A 8 7.055 -8.548 -4.098 1.00 0.00 N ATOM 127 CA LEU A 8 8.137 -8.632 -5.077 1.00 0.00 C ATOM 128 C LEU A 8 8.389 -10.076 -5.499 1.00 0.00 C ATOM 129 O LEU A 8 8.795 -10.294 -6.643 1.00 0.00 O ATOM 130 CB LEU A 8 9.440 -8.001 -4.552 1.00 0.00 C ATOM 131 CG LEU A 8 9.489 -6.475 -4.728 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.673 -5.911 -3.938 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.649 -6.065 -6.201 1.00 0.00 C ATOM 0 H LEU A 8 7.337 -8.162 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 8 7.815 -8.063 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.552 -8.242 -3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.287 -8.447 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 8 8.544 -6.075 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.710 -4.829 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.554 -6.152 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.599 -6.350 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.679 -4.978 -6.275 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.576 -6.481 -6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.806 -6.445 -6.778 1.00 0.00 H new ATOM 145 N THR A 9 8.131 -11.058 -4.626 1.00 0.00 N ATOM 146 CA THR A 9 8.319 -12.475 -4.930 1.00 0.00 C ATOM 147 C THR A 9 7.257 -12.994 -5.914 1.00 0.00 C ATOM 148 O THR A 9 7.363 -14.132 -6.372 1.00 0.00 O ATOM 149 CB THR A 9 8.407 -13.305 -3.637 1.00 0.00 C ATOM 150 OG1 THR A 9 7.216 -13.234 -2.872 1.00 0.00 O ATOM 151 CG2 THR A 9 9.577 -12.824 -2.772 1.00 0.00 C ATOM 0 H THR A 9 7.783 -10.886 -3.683 1.00 0.00 H new ATOM 0 HA THR A 9 9.274 -12.591 -5.442 1.00 0.00 H new ATOM 0 HB THR A 9 8.561 -14.341 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.315 -13.776 -2.062 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.626 -13.421 -1.861 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.509 -12.932 -3.327 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.430 -11.776 -2.511 1.00 0.00 H new ATOM 159 N GLY A 10 6.254 -12.177 -6.255 1.00 0.00 N ATOM 160 CA GLY A 10 5.184 -12.504 -7.182 1.00 0.00 C ATOM 161 C GLY A 10 3.990 -13.129 -6.480 1.00 0.00 C ATOM 162 O GLY A 10 3.275 -13.916 -7.104 1.00 0.00 O ATOM 0 H GLY A 10 6.169 -11.235 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.866 -11.600 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.559 -13.192 -7.940 1.00 0.00 H new ATOM 166 N LYS A 11 3.810 -12.889 -5.180 1.00 0.00 N ATOM 167 CA LYS A 11 2.705 -13.422 -4.385 1.00 0.00 C ATOM 168 C LYS A 11 1.636 -12.346 -4.249 1.00 0.00 C ATOM 169 O LYS A 11 1.919 -11.181 -4.517 1.00 0.00 O ATOM 170 CB LYS A 11 3.249 -13.766 -2.989 1.00 0.00 C ATOM 171 CG LYS A 11 2.463 -14.859 -2.251 1.00 0.00 C ATOM 172 CD LYS A 11 2.922 -14.981 -0.793 1.00 0.00 C ATOM 173 CE LYS A 11 2.448 -13.801 0.067 1.00 0.00 C ATOM 174 NZ LYS A 11 3.057 -13.854 1.411 1.00 0.00 N ATOM 0 H LYS A 11 4.446 -12.303 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 11 2.279 -14.307 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.287 -14.085 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.249 -12.862 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.398 -14.629 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.598 -15.814 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.541 -15.911 -0.371 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.010 -15.038 -0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.711 -12.862 -0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.362 -13.822 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.659 -13.097 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.856 -14.776 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.086 -13.726 1.331 1.00 0.00 H new ATOM 188 N THR A 12 0.448 -12.693 -3.765 1.00 0.00 N ATOM 189 CA THR A 12 -0.629 -11.737 -3.555 1.00 0.00 C ATOM 190 C THR A 12 -1.152 -11.936 -2.137 1.00 0.00 C ATOM 191 O THR A 12 -1.299 -13.066 -1.661 1.00 0.00 O ATOM 192 CB THR A 12 -1.741 -11.876 -4.605 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.222 -12.068 -5.905 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.613 -10.617 -4.646 1.00 0.00 C ATOM 0 H THR A 12 0.206 -13.650 -3.507 1.00 0.00 H new ATOM 0 HA THR A 12 -0.251 -10.722 -3.673 1.00 0.00 H new ATOM 0 HB THR A 12 -2.327 -12.747 -4.310 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.961 -12.154 -6.543 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.393 -10.739 -5.397 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.071 -10.459 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.996 -9.755 -4.901 1.00 0.00 H new ATOM 202 N ILE A 13 -1.433 -10.837 -1.447 1.00 0.00 N ATOM 203 CA ILE A 13 -1.947 -10.778 -0.088 1.00 0.00 C ATOM 204 C ILE A 13 -3.141 -9.827 -0.130 1.00 0.00 C ATOM 205 O ILE A 13 -3.140 -8.890 -0.929 1.00 0.00 O ATOM 206 CB ILE A 13 -0.842 -10.235 0.851 1.00 0.00 C ATOM 207 CG1 ILE A 13 0.443 -11.087 0.756 1.00 0.00 C ATOM 208 CG2 ILE A 13 -1.323 -10.174 2.316 1.00 0.00 C ATOM 209 CD1 ILE A 13 1.644 -10.409 1.413 1.00 0.00 C ATOM 0 H ILE A 13 -1.299 -9.908 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.246 -11.757 0.285 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.615 -9.222 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.271 -12.053 1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.669 -11.283 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.522 -9.788 2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.189 -9.516 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.598 -11.174 2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.521 -11.050 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.837 -9.455 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.433 -10.238 2.468 1.00 0.00 H new ATOM 221 N THR A 14 -4.125 -10.039 0.738 1.00 0.00 N ATOM 222 CA THR A 14 -5.309 -9.205 0.838 1.00 0.00 C ATOM 223 C THR A 14 -5.353 -8.633 2.253 1.00 0.00 C ATOM 224 O THR A 14 -5.017 -9.313 3.227 1.00 0.00 O ATOM 225 CB THR A 14 -6.544 -10.013 0.431 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.400 -10.326 -0.929 1.00 0.00 O ATOM 227 CG2 THR A 14 -7.851 -9.238 0.566 1.00 0.00 C ATOM 0 H THR A 14 -4.118 -10.812 1.403 1.00 0.00 H new ATOM 0 HA THR A 14 -5.286 -8.360 0.150 1.00 0.00 H new ATOM 0 HB THR A 14 -6.600 -10.881 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.576 -9.527 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.683 -9.872 0.261 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.988 -8.934 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.817 -8.353 -0.070 1.00 0.00 H new ATOM 235 N LEU A 15 -5.726 -7.358 2.353 1.00 0.00 N ATOM 236 CA LEU A 15 -5.834 -6.596 3.605 1.00 0.00 C ATOM 237 C LEU A 15 -7.253 -6.035 3.728 1.00 0.00 C ATOM 238 O LEU A 15 -8.076 -6.277 2.842 1.00 0.00 O ATOM 239 CB LEU A 15 -4.817 -5.435 3.648 1.00 0.00 C ATOM 240 CG LEU A 15 -3.360 -5.742 3.257 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.570 -4.429 3.273 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.689 -6.735 4.213 1.00 0.00 C ATOM 0 H LEU A 15 -5.972 -6.802 1.534 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.616 -7.267 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.181 -4.646 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.814 -5.030 4.660 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.368 -6.198 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.533 -4.625 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.009 -3.732 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.605 -3.996 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.664 -6.915 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.684 -6.322 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.241 -7.675 4.208 1.00 0.00 H new ATOM 254 N GLU A 16 -7.557 -5.306 4.803 1.00 0.00 N ATOM 255 CA GLU A 16 -8.858 -4.686 5.038 1.00 0.00 C ATOM 256 C GLU A 16 -8.585 -3.204 5.291 1.00 0.00 C ATOM 257 O GLU A 16 -7.708 -2.872 6.091 1.00 0.00 O ATOM 258 CB GLU A 16 -9.620 -5.351 6.198 1.00 0.00 C ATOM 259 CG GLU A 16 -11.005 -4.694 6.319 1.00 0.00 C ATOM 260 CD GLU A 16 -11.927 -5.333 7.353 1.00 0.00 C ATOM 261 OE1 GLU A 16 -13.036 -5.774 6.967 1.00 0.00 O ATOM 262 OE2 GLU A 16 -11.646 -5.259 8.571 1.00 0.00 O ATOM 0 H GLU A 16 -6.888 -5.127 5.552 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.512 -4.815 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.724 -6.421 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.065 -5.237 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.872 -3.642 6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.494 -4.728 5.346 1.00 0.00 H new ATOM 269 N VAL A 17 -9.282 -2.314 4.587 1.00 0.00 N ATOM 270 CA VAL A 17 -9.139 -0.869 4.694 1.00 0.00 C ATOM 271 C VAL A 17 -10.493 -0.180 4.524 1.00 0.00 C ATOM 272 O VAL A 17 -11.450 -0.768 4.022 1.00 0.00 O ATOM 273 CB VAL A 17 -8.155 -0.346 3.621 1.00 0.00 C ATOM 274 CG1 VAL A 17 -6.731 -0.882 3.812 1.00 0.00 C ATOM 275 CG2 VAL A 17 -8.619 -0.644 2.180 1.00 0.00 C ATOM 0 H VAL A 17 -9.986 -2.592 3.903 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.747 -0.639 5.685 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.145 0.735 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.084 -0.482 3.031 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.354 -0.575 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.741 -1.970 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.887 -0.252 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.714 -1.721 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.584 -0.169 2.003 1.00 0.00 H new ATOM 285 N GLU A 18 -10.549 1.099 4.862 1.00 0.00 N ATOM 286 CA GLU A 18 -11.702 1.977 4.770 1.00 0.00 C ATOM 287 C GLU A 18 -11.238 3.259 4.074 1.00 0.00 C ATOM 288 O GLU A 18 -10.044 3.554 4.090 1.00 0.00 O ATOM 289 CB GLU A 18 -12.187 2.320 6.187 1.00 0.00 C ATOM 290 CG GLU A 18 -12.997 1.204 6.851 1.00 0.00 C ATOM 291 CD GLU A 18 -14.475 1.265 6.471 1.00 0.00 C ATOM 292 OE1 GLU A 18 -15.320 1.370 7.391 1.00 0.00 O ATOM 293 OE2 GLU A 18 -14.829 1.190 5.275 1.00 0.00 O ATOM 0 H GLU A 18 -9.732 1.583 5.234 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.514 1.503 4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.323 2.549 6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.797 3.222 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.588 0.237 6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.898 1.279 7.934 1.00 0.00 H new ATOM 300 N PRO A 19 -12.134 4.084 3.512 1.00 0.00 N ATOM 301 CA PRO A 19 -11.735 5.327 2.861 1.00 0.00 C ATOM 302 C PRO A 19 -11.089 6.299 3.868 1.00 0.00 C ATOM 303 O PRO A 19 -10.303 7.160 3.464 1.00 0.00 O ATOM 304 CB PRO A 19 -12.991 5.861 2.171 1.00 0.00 C ATOM 305 CG PRO A 19 -14.119 5.222 2.973 1.00 0.00 C ATOM 306 CD PRO A 19 -13.563 3.877 3.406 1.00 0.00 C ATOM 0 HA PRO A 19 -10.956 5.180 2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.038 6.949 2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.028 5.572 1.121 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.391 5.834 3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.018 5.104 2.368 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.989 3.561 4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -13.797 3.100 2.679 1.00 0.00 H new ATOM 314 N SER A 20 -11.396 6.183 5.166 1.00 0.00 N ATOM 315 CA SER A 20 -10.823 7.012 6.222 1.00 0.00 C ATOM 316 C SER A 20 -9.465 6.442 6.666 1.00 0.00 C ATOM 317 O SER A 20 -8.754 7.115 7.415 1.00 0.00 O ATOM 318 CB SER A 20 -11.833 7.130 7.375 1.00 0.00 C ATOM 319 OG SER A 20 -11.466 8.110 8.331 1.00 0.00 O ATOM 0 H SER A 20 -12.064 5.495 5.514 1.00 0.00 H new ATOM 0 HA SER A 20 -10.628 8.019 5.854 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.814 7.376 6.968 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.926 6.163 7.870 1.00 0.00 H new ATOM 0 HG SER A 20 -10.492 8.111 8.441 1.00 0.00 H new ATOM 325 N ASP A 21 -9.083 5.222 6.253 1.00 0.00 N ATOM 326 CA ASP A 21 -7.792 4.668 6.644 1.00 0.00 C ATOM 327 C ASP A 21 -6.725 5.466 5.919 1.00 0.00 C ATOM 328 O ASP A 21 -6.737 5.626 4.694 1.00 0.00 O ATOM 329 CB ASP A 21 -7.576 3.176 6.336 1.00 0.00 C ATOM 330 CG ASP A 21 -8.072 2.247 7.436 1.00 0.00 C ATOM 331 OD1 ASP A 21 -8.833 1.305 7.133 1.00 0.00 O ATOM 332 OD2 ASP A 21 -7.664 2.416 8.606 1.00 0.00 O ATOM 0 H ASP A 21 -9.646 4.614 5.658 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.744 4.741 7.731 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.087 2.928 5.405 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.513 2.998 6.173 1.00 0.00 H new ATOM 337 N THR A 22 -5.810 6.004 6.707 1.00 0.00 N ATOM 338 CA THR A 22 -4.694 6.778 6.217 1.00 0.00 C ATOM 339 C THR A 22 -3.534 5.849 5.963 1.00 0.00 C ATOM 340 O THR A 22 -3.540 4.700 6.408 1.00 0.00 O ATOM 341 CB THR A 22 -4.384 7.928 7.178 1.00 0.00 C ATOM 342 OG1 THR A 22 -3.220 8.651 6.842 1.00 0.00 O ATOM 343 CG2 THR A 22 -4.392 7.515 8.630 1.00 0.00 C ATOM 0 H THR A 22 -5.827 5.911 7.723 1.00 0.00 H new ATOM 0 HA THR A 22 -4.931 7.255 5.266 1.00 0.00 H new ATOM 0 HB THR A 22 -5.217 8.619 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.247 8.891 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.165 8.379 9.255 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.376 7.126 8.892 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.641 6.742 8.792 1.00 0.00 H new ATOM 351 N ILE A 23 -2.523 6.356 5.264 1.00 0.00 N ATOM 352 CA ILE A 23 -1.336 5.582 4.982 1.00 0.00 C ATOM 353 C ILE A 23 -0.710 5.157 6.311 1.00 0.00 C ATOM 354 O ILE A 23 -0.054 4.128 6.334 1.00 0.00 O ATOM 355 CB ILE A 23 -0.412 6.349 4.034 1.00 0.00 C ATOM 356 CG1 ILE A 23 -1.133 6.685 2.701 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.888 5.572 3.777 1.00 0.00 C ATOM 358 CD1 ILE A 23 -1.915 5.543 2.032 1.00 0.00 C ATOM 0 H ILE A 23 -2.510 7.303 4.885 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.568 4.663 4.444 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.148 7.290 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.824 7.508 2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.388 7.047 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.525 6.142 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.411 5.415 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.652 4.607 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.371 5.905 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.235 4.723 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.694 5.190 2.708 1.00 0.00 H new ATOM 370 N GLU A 24 -0.929 5.887 7.413 1.00 0.00 N ATOM 371 CA GLU A 24 -0.401 5.482 8.708 1.00 0.00 C ATOM 372 C GLU A 24 -1.033 4.133 9.064 1.00 0.00 C ATOM 373 O GLU A 24 -0.343 3.247 9.563 1.00 0.00 O ATOM 374 CB GLU A 24 -0.723 6.528 9.785 1.00 0.00 C ATOM 375 CG GLU A 24 0.101 7.811 9.629 1.00 0.00 C ATOM 376 CD GLU A 24 1.608 7.570 9.748 1.00 0.00 C ATOM 377 OE1 GLU A 24 2.038 6.638 10.455 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.409 8.274 9.093 1.00 0.00 O ATOM 0 H GLU A 24 -1.465 6.754 7.427 1.00 0.00 H new ATOM 0 HA GLU A 24 0.684 5.395 8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.784 6.775 9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.537 6.099 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.115 8.259 8.659 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.208 8.530 10.388 1.00 0.00 H new ATOM 385 N ASN A 25 -2.344 3.966 8.820 1.00 0.00 N ATOM 386 CA ASN A 25 -2.979 2.676 9.127 1.00 0.00 C ATOM 387 C ASN A 25 -2.597 1.629 8.077 1.00 0.00 C ATOM 388 O ASN A 25 -2.217 0.511 8.420 1.00 0.00 O ATOM 389 CB ASN A 25 -4.510 2.782 9.226 1.00 0.00 C ATOM 390 CG ASN A 25 -4.953 3.264 10.599 1.00 0.00 C ATOM 391 OD1 ASN A 25 -5.543 2.529 11.381 1.00 0.00 O ATOM 392 ND2 ASN A 25 -4.631 4.502 10.936 1.00 0.00 N ATOM 0 H ASN A 25 -2.962 4.676 8.428 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.609 2.367 10.105 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.877 3.469 8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.956 1.809 9.020 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.874 4.859 11.860 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.140 5.100 10.272 1.00 0.00 H new ATOM 399 N VAL A 26 -2.678 1.972 6.791 1.00 0.00 N ATOM 400 CA VAL A 26 -2.366 1.069 5.684 1.00 0.00 C ATOM 401 C VAL A 26 -0.930 0.538 5.757 1.00 0.00 C ATOM 402 O VAL A 26 -0.726 -0.666 5.599 1.00 0.00 O ATOM 403 CB VAL A 26 -2.673 1.763 4.343 1.00 0.00 C ATOM 404 CG1 VAL A 26 -2.324 0.886 3.133 1.00 0.00 C ATOM 405 CG2 VAL A 26 -4.156 2.152 4.247 1.00 0.00 C ATOM 0 H VAL A 26 -2.967 2.901 6.485 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.005 0.190 5.764 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.048 2.655 4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.560 1.423 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.261 0.648 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.903 -0.036 3.173 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.343 2.640 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.773 1.257 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.406 2.836 5.058 1.00 0.00 H new ATOM 415 N LYS A 27 0.075 1.391 5.982 1.00 0.00 N ATOM 416 CA LYS A 27 1.464 0.945 6.056 1.00 0.00 C ATOM 417 C LYS A 27 1.649 -0.022 7.223 1.00 0.00 C ATOM 418 O LYS A 27 2.452 -0.944 7.104 1.00 0.00 O ATOM 419 CB LYS A 27 2.448 2.123 6.062 1.00 0.00 C ATOM 420 CG LYS A 27 2.592 2.804 7.425 1.00 0.00 C ATOM 421 CD LYS A 27 3.276 4.162 7.279 1.00 0.00 C ATOM 422 CE LYS A 27 3.532 4.676 8.688 1.00 0.00 C ATOM 423 NZ LYS A 27 4.151 6.008 8.716 1.00 0.00 N ATOM 0 H LYS A 27 -0.051 2.394 6.116 1.00 0.00 H new ATOM 0 HA LYS A 27 1.702 0.390 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.427 1.768 5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.120 2.862 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.609 2.933 7.879 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.172 2.169 8.095 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.210 4.067 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.645 4.855 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.588 4.710 9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.177 3.972 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.815 6.530 9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.185 5.909 8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.892 6.529 7.854 1.00 0.00 H new ATOM 437 N ALA A 28 0.926 0.173 8.331 1.00 0.00 N ATOM 438 CA ALA A 28 1.014 -0.712 9.478 1.00 0.00 C ATOM 439 C ALA A 28 0.429 -2.072 9.076 1.00 0.00 C ATOM 440 O ALA A 28 1.058 -3.108 9.307 1.00 0.00 O ATOM 441 CB ALA A 28 0.287 -0.098 10.680 1.00 0.00 C ATOM 0 H ALA A 28 0.270 0.945 8.449 1.00 0.00 H new ATOM 0 HA ALA A 28 2.051 -0.852 9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.361 -0.772 11.533 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.745 0.858 10.933 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.763 0.057 10.430 1.00 0.00 H new ATOM 447 N LYS A 29 -0.746 -2.065 8.434 1.00 0.00 N ATOM 448 CA LYS A 29 -1.455 -3.255 7.964 1.00 0.00 C ATOM 449 C LYS A 29 -0.585 -4.088 7.017 1.00 0.00 C ATOM 450 O LYS A 29 -0.570 -5.308 7.152 1.00 0.00 O ATOM 451 CB LYS A 29 -2.786 -2.843 7.305 1.00 0.00 C ATOM 452 CG LYS A 29 -3.835 -2.372 8.329 1.00 0.00 C ATOM 453 CD LYS A 29 -4.981 -1.591 7.665 1.00 0.00 C ATOM 454 CE LYS A 29 -6.175 -1.362 8.607 1.00 0.00 C ATOM 455 NZ LYS A 29 -7.004 -2.575 8.755 1.00 0.00 N ATOM 0 H LYS A 29 -1.243 -1.200 8.222 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.679 -3.890 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.600 -2.043 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.186 -3.688 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.242 -3.236 8.854 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.354 -1.742 9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.606 -0.627 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.320 -2.134 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.810 -1.051 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.789 -0.548 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.704 -2.427 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.496 -2.771 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.397 -3.383 9.000 1.00 0.00 H new ATOM 469 N ILE A 30 0.143 -3.479 6.073 1.00 0.00 N ATOM 470 CA ILE A 30 0.990 -4.260 5.167 1.00 0.00 C ATOM 471 C ILE A 30 2.269 -4.722 5.880 1.00 0.00 C ATOM 472 O ILE A 30 2.682 -5.863 5.673 1.00 0.00 O ATOM 473 CB ILE A 30 1.245 -3.535 3.827 1.00 0.00 C ATOM 474 CG1 ILE A 30 2.008 -4.403 2.802 1.00 0.00 C ATOM 475 CG2 ILE A 30 1.982 -2.206 4.008 1.00 0.00 C ATOM 476 CD1 ILE A 30 1.303 -5.718 2.447 1.00 0.00 C ATOM 0 H ILE A 30 0.163 -2.471 5.919 1.00 0.00 H new ATOM 0 HA ILE A 30 0.448 -5.164 4.890 1.00 0.00 H new ATOM 0 HB ILE A 30 0.249 -3.335 3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.155 -3.824 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.998 -4.629 3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.135 -1.739 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.389 -1.544 4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.948 -2.387 4.479 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.903 -6.268 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.180 -6.319 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.324 -5.502 2.018 1.00 0.00 H new ATOM 488 N GLN A 31 2.895 -3.898 6.737 1.00 0.00 N ATOM 489 CA GLN A 31 4.111 -4.309 7.448 1.00 0.00 C ATOM 490 C GLN A 31 3.807 -5.538 8.310 1.00 0.00 C ATOM 491 O GLN A 31 4.655 -6.420 8.440 1.00 0.00 O ATOM 492 CB GLN A 31 4.697 -3.156 8.280 1.00 0.00 C ATOM 493 CG GLN A 31 5.485 -2.174 7.409 1.00 0.00 C ATOM 494 CD GLN A 31 5.970 -0.996 8.251 1.00 0.00 C ATOM 495 OE1 GLN A 31 6.920 -1.104 9.021 1.00 0.00 O ATOM 496 NE2 GLN A 31 5.284 0.131 8.179 1.00 0.00 N ATOM 0 H GLN A 31 2.580 -2.952 6.951 1.00 0.00 H new ATOM 0 HA GLN A 31 4.874 -4.577 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.890 -2.627 8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.349 -3.560 9.054 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.336 -2.681 6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.857 -1.814 6.594 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.497 0.209 7.535 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.542 0.923 8.767 1.00 0.00 H new ATOM 505 N ASP A 32 2.590 -5.648 8.849 1.00 0.00 N ATOM 506 CA ASP A 32 2.124 -6.772 9.669 1.00 0.00 C ATOM 507 C ASP A 32 2.073 -8.090 8.867 1.00 0.00 C ATOM 508 O ASP A 32 1.953 -9.165 9.453 1.00 0.00 O ATOM 509 CB ASP A 32 0.741 -6.406 10.230 1.00 0.00 C ATOM 510 CG ASP A 32 -0.004 -7.579 10.860 1.00 0.00 C ATOM 511 OD1 ASP A 32 -0.830 -8.220 10.175 1.00 0.00 O ATOM 512 OD2 ASP A 32 0.146 -7.808 12.082 1.00 0.00 O ATOM 0 H ASP A 32 1.875 -4.931 8.722 1.00 0.00 H new ATOM 0 HA ASP A 32 2.827 -6.944 10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.860 -5.621 10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.132 -5.992 9.426 1.00 0.00 H new ATOM 517 N LYS A 33 2.206 -8.029 7.535 1.00 0.00 N ATOM 518 CA LYS A 33 2.174 -9.169 6.619 1.00 0.00 C ATOM 519 C LYS A 33 3.395 -9.225 5.697 1.00 0.00 C ATOM 520 O LYS A 33 3.396 -10.022 4.754 1.00 0.00 O ATOM 521 CB LYS A 33 0.838 -9.145 5.856 1.00 0.00 C ATOM 522 CG LYS A 33 -0.275 -9.614 6.800 1.00 0.00 C ATOM 523 CD LYS A 33 -1.665 -9.584 6.163 1.00 0.00 C ATOM 524 CE LYS A 33 -2.581 -10.634 6.795 1.00 0.00 C ATOM 525 NZ LYS A 33 -2.666 -10.534 8.266 1.00 0.00 N ATOM 0 H LYS A 33 2.345 -7.143 7.049 1.00 0.00 H new ATOM 0 HA LYS A 33 2.234 -10.093 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.627 -8.139 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.890 -9.794 4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.057 -10.630 7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.277 -8.983 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.103 -8.593 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.582 -9.766 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.581 -10.533 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.221 -11.627 6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.413 -11.168 8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.755 -10.809 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.890 -9.555 8.535 1.00 0.00 H new ATOM 539 N GLU A 34 4.421 -8.406 5.948 1.00 0.00 N ATOM 540 CA GLU A 34 5.655 -8.368 5.162 1.00 0.00 C ATOM 541 C GLU A 34 6.884 -8.429 6.082 1.00 0.00 C ATOM 542 O GLU A 34 7.894 -9.029 5.711 1.00 0.00 O ATOM 543 CB GLU A 34 5.672 -7.136 4.241 1.00 0.00 C ATOM 544 CG GLU A 34 6.765 -7.184 3.153 1.00 0.00 C ATOM 545 CD GLU A 34 6.668 -8.368 2.186 1.00 0.00 C ATOM 546 OE1 GLU A 34 7.146 -9.463 2.565 1.00 0.00 O ATOM 547 OE2 GLU A 34 6.147 -8.189 1.063 1.00 0.00 O ATOM 0 H GLU A 34 4.415 -7.738 6.719 1.00 0.00 H new ATOM 0 HA GLU A 34 5.694 -9.248 4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.698 -7.041 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.817 -6.242 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.723 -6.260 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.740 -7.212 3.640 1.00 0.00 H new ATOM 554 N GLY A 35 6.801 -7.834 7.278 1.00 0.00 N ATOM 555 CA GLY A 35 7.856 -7.818 8.281 1.00 0.00 C ATOM 556 C GLY A 35 9.105 -7.056 7.860 1.00 0.00 C ATOM 557 O GLY A 35 10.209 -7.538 8.112 1.00 0.00 O ATOM 0 H GLY A 35 5.964 -7.334 7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.465 -7.375 9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.133 -8.845 8.517 1.00 0.00 H new ATOM 561 N ILE A 36 8.963 -5.889 7.232 1.00 0.00 N ATOM 562 CA ILE A 36 10.081 -5.062 6.768 1.00 0.00 C ATOM 563 C ILE A 36 9.888 -3.599 7.202 1.00 0.00 C ATOM 564 O ILE A 36 8.793 -3.242 7.650 1.00 0.00 O ATOM 565 CB ILE A 36 10.270 -5.244 5.239 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.011 -4.971 4.391 1.00 0.00 C ATOM 567 CG2 ILE A 36 10.755 -6.675 4.959 1.00 0.00 C ATOM 568 CD1 ILE A 36 8.648 -3.502 4.210 1.00 0.00 C ATOM 0 H ILE A 36 8.050 -5.482 7.027 1.00 0.00 H new ATOM 0 HA ILE A 36 11.009 -5.389 7.237 1.00 0.00 H new ATOM 0 HB ILE A 36 11.003 -4.494 4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.154 -5.416 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.166 -5.482 4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.890 -6.810 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.704 -6.844 5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.016 -7.388 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.749 -3.422 3.599 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.466 -3.049 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.469 -2.982 3.717 1.00 0.00 H new ATOM 580 N PRO A 37 10.925 -2.747 7.117 1.00 0.00 N ATOM 581 CA PRO A 37 10.831 -1.341 7.493 1.00 0.00 C ATOM 582 C PRO A 37 10.022 -0.542 6.460 1.00 0.00 C ATOM 583 O PRO A 37 9.930 -0.959 5.310 1.00 0.00 O ATOM 584 CB PRO A 37 12.277 -0.817 7.518 1.00 0.00 C ATOM 585 CG PRO A 37 13.155 -2.057 7.354 1.00 0.00 C ATOM 586 CD PRO A 37 12.259 -3.035 6.623 1.00 0.00 C ATOM 0 HA PRO A 37 10.328 -1.232 8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.451 -0.102 6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.493 -0.302 8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.057 -1.837 6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.476 -2.451 8.318 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.320 -2.898 5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.545 -4.066 6.831 1.00 0.00 H new ATOM 594 N PRO A 38 9.520 0.658 6.801 1.00 0.00 N ATOM 595 CA PRO A 38 8.780 1.501 5.864 1.00 0.00 C ATOM 596 C PRO A 38 9.571 1.777 4.568 1.00 0.00 C ATOM 597 O PRO A 38 8.972 1.883 3.496 1.00 0.00 O ATOM 598 CB PRO A 38 8.510 2.807 6.620 1.00 0.00 C ATOM 599 CG PRO A 38 8.520 2.380 8.085 1.00 0.00 C ATOM 600 CD PRO A 38 9.539 1.244 8.131 1.00 0.00 C ATOM 0 HA PRO A 38 7.863 1.007 5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.276 3.555 6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.553 3.244 6.336 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.810 3.203 8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.535 2.046 8.410 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.532 1.616 8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.273 0.507 8.889 1.00 0.00 H new ATOM 608 N ASP A 39 10.898 1.942 4.663 1.00 0.00 N ATOM 609 CA ASP A 39 11.771 2.196 3.512 1.00 0.00 C ATOM 610 C ASP A 39 12.012 0.894 2.748 1.00 0.00 C ATOM 611 O ASP A 39 11.918 -0.196 3.310 1.00 0.00 O ATOM 612 CB ASP A 39 13.106 2.829 3.950 1.00 0.00 C ATOM 613 CG ASP A 39 13.152 4.310 3.582 1.00 0.00 C ATOM 614 OD1 ASP A 39 14.074 4.753 2.857 1.00 0.00 O ATOM 615 OD2 ASP A 39 12.273 5.059 4.059 1.00 0.00 O ATOM 0 H ASP A 39 11.399 1.902 5.551 1.00 0.00 H new ATOM 0 HA ASP A 39 11.274 2.908 2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.232 2.713 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.935 2.306 3.474 1.00 0.00 H new ATOM 620 N GLN A 40 12.438 0.995 1.488 1.00 0.00 N ATOM 621 CA GLN A 40 12.695 -0.125 0.582 1.00 0.00 C ATOM 622 C GLN A 40 11.372 -0.798 0.176 1.00 0.00 C ATOM 623 O GLN A 40 11.354 -1.953 -0.240 1.00 0.00 O ATOM 624 CB GLN A 40 13.773 -1.097 1.110 1.00 0.00 C ATOM 625 CG GLN A 40 14.522 -1.797 -0.036 1.00 0.00 C ATOM 626 CD GLN A 40 15.632 -2.721 0.453 1.00 0.00 C ATOM 627 OE1 GLN A 40 15.493 -3.940 0.466 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.781 -2.182 0.827 1.00 0.00 N ATOM 0 H GLN A 40 12.621 1.899 1.052 1.00 0.00 H new ATOM 0 HA GLN A 40 13.138 0.270 -0.332 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.485 -0.550 1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 40 13.305 -1.846 1.749 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.811 -2.374 -0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.950 -1.043 -0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.896 -1.169 0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.551 -2.780 1.126 1.00 0.00 H new ATOM 637 N ASN A 41 10.253 -0.078 0.271 1.00 0.00 N ATOM 638 CA ASN A 41 8.921 -0.548 -0.081 1.00 0.00 C ATOM 639 C ASN A 41 8.131 0.631 -0.630 1.00 0.00 C ATOM 640 O ASN A 41 8.452 1.783 -0.319 1.00 0.00 O ATOM 641 CB ASN A 41 8.227 -1.134 1.160 1.00 0.00 C ATOM 642 CG ASN A 41 7.956 -2.618 0.996 1.00 0.00 C ATOM 643 OD1 ASN A 41 6.812 -3.047 1.055 1.00 0.00 O ATOM 644 ND2 ASN A 41 8.988 -3.422 0.820 1.00 0.00 N ATOM 0 H ASN A 41 10.255 0.885 0.609 1.00 0.00 H new ATOM 0 HA ASN A 41 8.982 -1.333 -0.835 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.852 -0.972 2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.288 -0.609 1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.842 -4.427 0.730 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.932 -3.038 0.774 1.00 0.00 H new ATOM 651 N ARG A 42 7.088 0.354 -1.412 1.00 0.00 N ATOM 652 CA ARG A 42 6.231 1.362 -2.015 1.00 0.00 C ATOM 653 C ARG A 42 4.993 0.684 -2.557 1.00 0.00 C ATOM 654 O ARG A 42 5.122 -0.333 -3.225 1.00 0.00 O ATOM 655 CB ARG A 42 6.952 2.045 -3.190 1.00 0.00 C ATOM 656 CG ARG A 42 6.328 3.408 -3.464 1.00 0.00 C ATOM 657 CD ARG A 42 6.832 4.412 -2.427 1.00 0.00 C ATOM 658 NE ARG A 42 6.091 5.661 -2.536 1.00 0.00 N ATOM 659 CZ ARG A 42 6.271 6.610 -3.448 1.00 0.00 C ATOM 660 NH1 ARG A 42 7.236 6.509 -4.356 1.00 0.00 N ATOM 661 NH2 ARG A 42 5.453 7.647 -3.431 1.00 0.00 N ATOM 0 H ARG A 42 6.813 -0.600 -1.646 1.00 0.00 H new ATOM 0 HA ARG A 42 5.976 2.106 -1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.011 2.161 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.886 1.420 -4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.587 3.744 -4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.241 3.338 -3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.718 3.999 -1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.896 4.597 -2.576 1.00 0.00 H new ATOM 0 HE ARG A 42 5.361 5.823 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.850 5.695 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.362 7.246 -5.050 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.712 7.701 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.562 8.394 -4.117 1.00 0.00 H new ATOM 675 N LEU A 43 3.815 1.238 -2.286 1.00 0.00 N ATOM 676 CA LEU A 43 2.541 0.705 -2.750 1.00 0.00 C ATOM 677 C LEU A 43 2.187 1.511 -4.000 1.00 0.00 C ATOM 678 O LEU A 43 2.073 2.736 -3.918 1.00 0.00 O ATOM 679 CB LEU A 43 1.461 0.868 -1.660 1.00 0.00 C ATOM 680 CG LEU A 43 1.509 -0.072 -0.434 1.00 0.00 C ATOM 681 CD1 LEU A 43 1.082 -1.500 -0.791 1.00 0.00 C ATOM 682 CD2 LEU A 43 2.856 -0.069 0.300 1.00 0.00 C ATOM 0 H LEU A 43 3.719 2.086 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 43 2.602 -0.361 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.510 1.894 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.488 0.745 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 43 0.782 0.339 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.130 -2.127 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.061 -1.490 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.751 -1.900 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.810 -0.753 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.643 -0.390 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.073 0.938 0.657 1.00 0.00 H new ATOM 694 N ILE A 44 1.972 0.850 -5.139 1.00 0.00 N ATOM 695 CA ILE A 44 1.643 1.493 -6.410 1.00 0.00 C ATOM 696 C ILE A 44 0.230 1.087 -6.846 1.00 0.00 C ATOM 697 O ILE A 44 0.021 -0.054 -7.272 1.00 0.00 O ATOM 698 CB ILE A 44 2.726 1.176 -7.467 1.00 0.00 C ATOM 699 CG1 ILE A 44 4.170 1.477 -7.004 1.00 0.00 C ATOM 700 CG2 ILE A 44 2.425 1.934 -8.769 1.00 0.00 C ATOM 701 CD1 ILE A 44 4.475 2.941 -6.662 1.00 0.00 C ATOM 0 H ILE A 44 2.023 -0.167 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 44 1.638 2.577 -6.293 1.00 0.00 H new ATOM 0 HB ILE A 44 2.681 0.099 -7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.383 0.867 -6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.856 1.157 -7.788 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.192 1.706 -9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.451 1.629 -9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.418 3.006 -8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.515 3.033 -6.350 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.303 3.563 -7.540 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.823 3.269 -5.852 1.00 0.00 H new ATOM 713 N PHE A 45 -0.758 1.978 -6.690 1.00 0.00 N ATOM 714 CA PHE A 45 -2.154 1.702 -7.068 1.00 0.00 C ATOM 715 C PHE A 45 -2.380 2.212 -8.487 1.00 0.00 C ATOM 716 O PHE A 45 -2.469 3.423 -8.688 1.00 0.00 O ATOM 717 CB PHE A 45 -3.154 2.398 -6.124 1.00 0.00 C ATOM 718 CG PHE A 45 -4.562 2.420 -6.694 1.00 0.00 C ATOM 719 CD1 PHE A 45 -5.140 3.631 -7.116 1.00 0.00 C ATOM 720 CD2 PHE A 45 -5.239 1.209 -6.927 1.00 0.00 C ATOM 721 CE1 PHE A 45 -6.389 3.631 -7.759 1.00 0.00 C ATOM 722 CE2 PHE A 45 -6.473 1.210 -7.604 1.00 0.00 C ATOM 723 CZ PHE A 45 -7.055 2.422 -8.010 1.00 0.00 C ATOM 0 H PHE A 45 -0.615 2.909 -6.299 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.321 0.627 -7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.161 1.884 -5.163 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.824 3.420 -5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.622 4.563 -6.945 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.811 0.278 -6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.838 4.565 -8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.974 0.276 -7.812 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.011 2.423 -8.513 1.00 0.00 H new ATOM 733 N ALA A 46 -2.508 1.315 -9.467 1.00 0.00 N ATOM 734 CA ALA A 46 -2.733 1.666 -10.867 1.00 0.00 C ATOM 735 C ALA A 46 -1.747 2.753 -11.316 1.00 0.00 C ATOM 736 O ALA A 46 -2.141 3.749 -11.925 1.00 0.00 O ATOM 737 CB ALA A 46 -4.209 2.053 -11.055 1.00 0.00 C ATOM 0 H ALA A 46 -2.457 0.309 -9.306 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.539 0.810 -11.513 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.386 2.317 -12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.844 1.210 -10.781 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.445 2.907 -10.420 1.00 0.00 H new ATOM 743 N GLY A 47 -0.476 2.597 -10.943 1.00 0.00 N ATOM 744 CA GLY A 47 0.602 3.523 -11.257 1.00 0.00 C ATOM 745 C GLY A 47 0.738 4.685 -10.262 1.00 0.00 C ATOM 746 O GLY A 47 1.762 5.363 -10.276 1.00 0.00 O ATOM 0 H GLY A 47 -0.163 1.795 -10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.542 2.973 -11.288 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.438 3.930 -12.255 1.00 0.00 H new ATOM 750 N LYS A 48 -0.246 4.953 -9.394 1.00 0.00 N ATOM 751 CA LYS A 48 -0.207 6.039 -8.413 1.00 0.00 C ATOM 752 C LYS A 48 0.843 5.714 -7.358 1.00 0.00 C ATOM 753 O LYS A 48 0.783 4.657 -6.736 1.00 0.00 O ATOM 754 CB LYS A 48 -1.591 6.206 -7.764 1.00 0.00 C ATOM 755 CG LYS A 48 -1.763 7.478 -6.916 1.00 0.00 C ATOM 756 CD LYS A 48 -2.438 8.634 -7.664 1.00 0.00 C ATOM 757 CE LYS A 48 -1.559 9.280 -8.735 1.00 0.00 C ATOM 758 NZ LYS A 48 -2.309 10.280 -9.516 1.00 0.00 N ATOM 0 H LYS A 48 -1.108 4.409 -9.355 1.00 0.00 H new ATOM 0 HA LYS A 48 0.056 6.976 -8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.346 6.207 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.787 5.338 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.352 7.237 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.784 7.806 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.351 8.266 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.734 9.396 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.699 9.755 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.172 8.510 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.684 10.700 -10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.116 9.821 -9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.657 11.027 -8.881 1.00 0.00 H new ATOM 772 N GLN A 49 1.813 6.606 -7.194 1.00 0.00 N ATOM 773 CA GLN A 49 2.907 6.503 -6.238 1.00 0.00 C ATOM 774 C GLN A 49 2.327 6.933 -4.888 1.00 0.00 C ATOM 775 O GLN A 49 2.240 8.129 -4.606 1.00 0.00 O ATOM 776 CB GLN A 49 4.111 7.381 -6.652 1.00 0.00 C ATOM 777 CG GLN A 49 4.604 7.209 -8.098 1.00 0.00 C ATOM 778 CD GLN A 49 3.953 8.211 -9.055 1.00 0.00 C ATOM 779 OE1 GLN A 49 4.369 9.360 -9.184 1.00 0.00 O ATOM 780 NE2 GLN A 49 2.916 7.808 -9.771 1.00 0.00 N ATOM 0 H GLN A 49 1.859 7.460 -7.750 1.00 0.00 H new ATOM 0 HA GLN A 49 3.296 5.486 -6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.841 8.427 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.941 7.167 -5.978 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.687 7.332 -8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.389 6.195 -8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.565 6.856 -9.669 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.467 8.450 -10.425 1.00 0.00 H new ATOM 789 N LEU A 50 1.861 5.981 -4.083 1.00 0.00 N ATOM 790 CA LEU A 50 1.265 6.285 -2.783 1.00 0.00 C ATOM 791 C LEU A 50 2.350 6.687 -1.782 1.00 0.00 C ATOM 792 O LEU A 50 3.476 6.195 -1.844 1.00 0.00 O ATOM 793 CB LEU A 50 0.429 5.090 -2.285 1.00 0.00 C ATOM 794 CG LEU A 50 -0.604 4.581 -3.318 1.00 0.00 C ATOM 795 CD1 LEU A 50 -1.371 3.372 -2.793 1.00 0.00 C ATOM 796 CD2 LEU A 50 -1.621 5.655 -3.708 1.00 0.00 C ATOM 0 H LEU A 50 1.885 4.987 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 50 0.589 7.134 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.100 4.272 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.094 5.378 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.023 4.304 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.088 3.041 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.672 2.564 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.902 3.646 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.322 5.245 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.166 5.979 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.101 6.507 -4.146 1.00 0.00 H new ATOM 808 N GLU A 51 2.031 7.612 -0.885 1.00 0.00 N ATOM 809 CA GLU A 51 2.884 8.149 0.166 1.00 0.00 C ATOM 810 C GLU A 51 1.998 8.685 1.296 1.00 0.00 C ATOM 811 O GLU A 51 0.797 8.900 1.096 1.00 0.00 O ATOM 812 CB GLU A 51 3.797 9.248 -0.401 1.00 0.00 C ATOM 813 CG GLU A 51 3.106 10.595 -0.705 1.00 0.00 C ATOM 814 CD GLU A 51 3.487 11.253 -2.037 1.00 0.00 C ATOM 815 OE1 GLU A 51 4.674 11.181 -2.444 1.00 0.00 O ATOM 816 OE2 GLU A 51 2.607 11.867 -2.687 1.00 0.00 O ATOM 0 H GLU A 51 1.103 8.036 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 51 3.527 7.364 0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.605 9.426 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.254 8.879 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.027 10.440 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.337 11.291 0.102 1.00 0.00 H new ATOM 823 N ASP A 52 2.567 8.908 2.478 1.00 0.00 N ATOM 824 CA ASP A 52 1.816 9.417 3.625 1.00 0.00 C ATOM 825 C ASP A 52 1.383 10.867 3.434 1.00 0.00 C ATOM 826 O ASP A 52 1.858 11.559 2.529 1.00 0.00 O ATOM 827 CB ASP A 52 2.585 9.230 4.935 1.00 0.00 C ATOM 828 CG ASP A 52 3.807 10.135 4.989 1.00 0.00 C ATOM 829 OD1 ASP A 52 3.797 11.163 5.703 1.00 0.00 O ATOM 830 OD2 ASP A 52 4.804 9.814 4.310 1.00 0.00 O ATOM 0 H ASP A 52 3.555 8.743 2.668 1.00 0.00 H new ATOM 0 HA ASP A 52 0.906 8.820 3.692 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.930 9.448 5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.895 8.190 5.033 1.00 0.00 H new ATOM 835 N GLY A 53 0.473 11.324 4.297 1.00 0.00 N ATOM 836 CA GLY A 53 -0.102 12.662 4.278 1.00 0.00 C ATOM 837 C GLY A 53 -1.503 12.639 3.652 1.00 0.00 C ATOM 838 O GLY A 53 -2.085 13.703 3.423 1.00 0.00 O ATOM 0 H GLY A 53 0.106 10.748 5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.158 13.054 5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.544 13.333 3.712 1.00 0.00 H new ATOM 842 N ARG A 54 -2.040 11.457 3.311 1.00 0.00 N ATOM 843 CA ARG A 54 -3.352 11.255 2.706 1.00 0.00 C ATOM 844 C ARG A 54 -4.057 10.034 3.306 1.00 0.00 C ATOM 845 O ARG A 54 -3.488 9.295 4.121 1.00 0.00 O ATOM 846 CB ARG A 54 -3.258 11.115 1.191 1.00 0.00 C ATOM 847 CG ARG A 54 -2.079 11.851 0.563 1.00 0.00 C ATOM 848 CD ARG A 54 -2.392 12.107 -0.889 1.00 0.00 C ATOM 849 NE ARG A 54 -1.148 12.355 -1.633 1.00 0.00 N ATOM 850 CZ ARG A 54 -0.992 13.057 -2.754 1.00 0.00 C ATOM 851 NH1 ARG A 54 -2.047 13.500 -3.429 1.00 0.00 N ATOM 852 NH2 ARG A 54 0.231 13.329 -3.188 1.00 0.00 N ATOM 0 H ARG A 54 -1.542 10.579 3.459 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.945 12.143 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.186 10.057 0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.181 11.486 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.900 12.792 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.170 11.257 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.915 11.250 -1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.058 12.965 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.302 11.939 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.989 13.303 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.915 14.037 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.043 13.001 -2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.360 13.866 -4.046 1.00 0.00 H new ATOM 866 N THR A 55 -5.278 9.810 2.843 1.00 0.00 N ATOM 867 CA THR A 55 -6.185 8.729 3.196 1.00 0.00 C ATOM 868 C THR A 55 -6.574 8.004 1.911 1.00 0.00 C ATOM 869 O THR A 55 -6.314 8.499 0.808 1.00 0.00 O ATOM 870 CB THR A 55 -7.436 9.275 3.905 1.00 0.00 C ATOM 871 OG1 THR A 55 -7.846 10.497 3.321 1.00 0.00 O ATOM 872 CG2 THR A 55 -7.217 9.454 5.405 1.00 0.00 C ATOM 0 H THR A 55 -5.694 10.434 2.152 1.00 0.00 H new ATOM 0 HA THR A 55 -5.694 8.041 3.885 1.00 0.00 H new ATOM 0 HB THR A 55 -8.225 8.534 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.644 10.829 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.128 9.841 5.862 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.967 8.493 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.400 10.156 5.572 1.00 0.00 H new ATOM 880 N LEU A 56 -7.220 6.841 2.026 1.00 0.00 N ATOM 881 CA LEU A 56 -7.659 6.104 0.847 1.00 0.00 C ATOM 882 C LEU A 56 -8.640 6.960 0.041 1.00 0.00 C ATOM 883 O LEU A 56 -8.646 6.892 -1.191 1.00 0.00 O ATOM 884 CB LEU A 56 -8.356 4.796 1.249 1.00 0.00 C ATOM 885 CG LEU A 56 -7.611 3.551 0.741 1.00 0.00 C ATOM 886 CD1 LEU A 56 -6.826 2.907 1.881 1.00 0.00 C ATOM 887 CD2 LEU A 56 -8.614 2.582 0.120 1.00 0.00 C ATOM 0 H LEU A 56 -7.447 6.396 2.915 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.781 5.869 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.436 4.750 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.372 4.794 0.854 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.892 3.834 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.302 2.026 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.102 3.621 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.513 2.613 2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.089 1.698 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.348 2.287 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.122 3.068 -0.713 1.00 0.00 H new ATOM 899 N SER A 57 -9.452 7.772 0.735 1.00 0.00 N ATOM 900 CA SER A 57 -10.430 8.644 0.110 1.00 0.00 C ATOM 901 C SER A 57 -9.725 9.605 -0.845 1.00 0.00 C ATOM 902 O SER A 57 -10.092 9.671 -2.025 1.00 0.00 O ATOM 903 CB SER A 57 -11.243 9.391 1.172 1.00 0.00 C ATOM 904 OG SER A 57 -12.347 10.039 0.572 1.00 0.00 O ATOM 0 H SER A 57 -9.440 7.835 1.753 1.00 0.00 H new ATOM 0 HA SER A 57 -11.132 8.044 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.591 8.692 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.612 10.123 1.676 1.00 0.00 H new ATOM 0 HG SER A 57 -12.861 10.512 1.259 1.00 0.00 H new ATOM 910 N ASP A 58 -8.699 10.303 -0.343 1.00 0.00 N ATOM 911 CA ASP A 58 -7.900 11.274 -1.087 1.00 0.00 C ATOM 912 C ASP A 58 -7.202 10.634 -2.276 1.00 0.00 C ATOM 913 O ASP A 58 -6.968 11.322 -3.272 1.00 0.00 O ATOM 914 CB ASP A 58 -6.758 11.846 -0.229 1.00 0.00 C ATOM 915 CG ASP A 58 -7.117 12.952 0.754 1.00 0.00 C ATOM 916 OD1 ASP A 58 -6.338 13.131 1.719 1.00 0.00 O ATOM 917 OD2 ASP A 58 -8.106 13.686 0.538 1.00 0.00 O ATOM 0 H ASP A 58 -8.395 10.201 0.625 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.607 12.045 -1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.313 11.025 0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.988 12.227 -0.900 1.00 0.00 H new ATOM 922 N TYR A 59 -6.818 9.355 -2.179 1.00 0.00 N ATOM 923 CA TYR A 59 -6.126 8.697 -3.273 1.00 0.00 C ATOM 924 C TYR A 59 -7.060 8.108 -4.320 1.00 0.00 C ATOM 925 O TYR A 59 -6.576 7.776 -5.407 1.00 0.00 O ATOM 926 CB TYR A 59 -5.215 7.590 -2.731 1.00 0.00 C ATOM 927 CG TYR A 59 -3.854 8.083 -2.320 1.00 0.00 C ATOM 928 CD1 TYR A 59 -3.026 8.660 -3.299 1.00 0.00 C ATOM 929 CD2 TYR A 59 -3.394 7.924 -1.001 1.00 0.00 C ATOM 930 CE1 TYR A 59 -1.753 9.128 -2.959 1.00 0.00 C ATOM 931 CE2 TYR A 59 -2.105 8.364 -0.660 1.00 0.00 C ATOM 932 CZ TYR A 59 -1.300 8.989 -1.635 1.00 0.00 C ATOM 933 OH TYR A 59 -0.094 9.496 -1.312 1.00 0.00 O ATOM 0 H TYR A 59 -6.977 8.768 -1.360 1.00 0.00 H new ATOM 0 HA TYR A 59 -5.540 9.472 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.697 7.120 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.099 6.819 -3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.375 8.742 -4.318 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.028 7.467 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.124 9.591 -3.705 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.732 8.225 0.344 1.00 0.00 H new ATOM 0 HH TYR A 59 0.002 9.516 -0.337 1.00 0.00 H new ATOM 943 N ASN A 60 -8.366 8.046 -4.047 1.00 0.00 N ATOM 944 CA ASN A 60 -9.373 7.468 -4.926 1.00 0.00 C ATOM 945 C ASN A 60 -8.908 6.080 -5.369 1.00 0.00 C ATOM 946 O ASN A 60 -8.437 5.856 -6.484 1.00 0.00 O ATOM 947 CB ASN A 60 -9.807 8.369 -6.086 1.00 0.00 C ATOM 948 CG ASN A 60 -10.761 7.593 -6.962 1.00 0.00 C ATOM 949 OD1 ASN A 60 -11.578 6.790 -6.512 1.00 0.00 O ATOM 950 ND2 ASN A 60 -10.558 7.694 -8.252 1.00 0.00 N ATOM 0 H ASN A 60 -8.759 8.410 -3.179 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.294 7.368 -4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.289 9.270 -5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.939 8.690 -6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.080 7.103 -8.898 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.878 8.364 -8.610 1.00 0.00 H new ATOM 957 N ILE A 61 -9.017 5.161 -4.422 1.00 0.00 N ATOM 958 CA ILE A 61 -8.668 3.755 -4.509 1.00 0.00 C ATOM 959 C ILE A 61 -9.981 3.038 -4.236 1.00 0.00 C ATOM 960 O ILE A 61 -10.627 3.299 -3.215 1.00 0.00 O ATOM 961 CB ILE A 61 -7.559 3.391 -3.491 1.00 0.00 C ATOM 962 CG1 ILE A 61 -6.307 4.262 -3.716 1.00 0.00 C ATOM 963 CG2 ILE A 61 -7.227 1.891 -3.572 1.00 0.00 C ATOM 964 CD1 ILE A 61 -5.108 3.933 -2.820 1.00 0.00 C ATOM 0 H ILE A 61 -9.381 5.401 -3.500 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.250 3.472 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.925 3.597 -2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.999 4.164 -4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.579 5.306 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.446 1.652 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.120 1.308 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.879 1.649 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.281 4.602 -3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.389 4.061 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.800 2.901 -2.989 1.00 0.00 H new ATOM 976 N GLN A 62 -10.421 2.217 -5.185 1.00 0.00 N ATOM 977 CA GLN A 62 -11.654 1.451 -5.083 1.00 0.00 C ATOM 978 C GLN A 62 -11.351 0.111 -4.404 1.00 0.00 C ATOM 979 O GLN A 62 -10.184 -0.266 -4.249 1.00 0.00 O ATOM 980 CB GLN A 62 -12.259 1.223 -6.483 1.00 0.00 C ATOM 981 CG GLN A 62 -12.442 2.502 -7.324 1.00 0.00 C ATOM 982 CD GLN A 62 -11.144 2.969 -7.989 1.00 0.00 C ATOM 983 OE1 GLN A 62 -10.526 2.237 -8.755 1.00 0.00 O ATOM 984 NE2 GLN A 62 -10.672 4.167 -7.686 1.00 0.00 N ATOM 0 H GLN A 62 -9.920 2.064 -6.061 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.381 2.003 -4.487 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.619 0.532 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -13.228 0.738 -6.370 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.193 2.321 -8.093 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.824 3.299 -6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.189 4.773 -7.049 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.791 4.485 -8.090 1.00 0.00 H new ATOM 993 N LYS A 63 -12.394 -0.606 -3.985 1.00 0.00 N ATOM 994 CA LYS A 63 -12.245 -1.911 -3.348 1.00 0.00 C ATOM 995 C LYS A 63 -11.670 -2.889 -4.370 1.00 0.00 C ATOM 996 O LYS A 63 -11.835 -2.709 -5.578 1.00 0.00 O ATOM 997 CB LYS A 63 -13.593 -2.400 -2.786 1.00 0.00 C ATOM 998 CG LYS A 63 -14.710 -2.436 -3.840 1.00 0.00 C ATOM 999 CD LYS A 63 -16.063 -2.833 -3.245 1.00 0.00 C ATOM 1000 CE LYS A 63 -17.145 -2.444 -4.260 1.00 0.00 C ATOM 1001 NZ LYS A 63 -18.509 -2.666 -3.750 1.00 0.00 N ATOM 0 H LYS A 63 -13.362 -0.298 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.560 -1.838 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.464 -3.398 -2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.896 -1.748 -1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.796 -1.455 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.441 -3.142 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.094 -3.904 -3.043 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.228 -2.325 -2.295 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.027 -1.393 -4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.005 -3.021 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.200 -2.387 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.634 -3.673 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.656 -2.095 -2.893 1.00 0.00 H new ATOM 1015 N GLU A 64 -11.064 -3.961 -3.877 1.00 0.00 N ATOM 1016 CA GLU A 64 -10.430 -5.034 -4.626 1.00 0.00 C ATOM 1017 C GLU A 64 -9.502 -4.498 -5.722 1.00 0.00 C ATOM 1018 O GLU A 64 -9.571 -4.902 -6.887 1.00 0.00 O ATOM 1019 CB GLU A 64 -11.485 -6.059 -5.074 1.00 0.00 C ATOM 1020 CG GLU A 64 -11.966 -6.859 -3.856 1.00 0.00 C ATOM 1021 CD GLU A 64 -12.993 -7.918 -4.225 1.00 0.00 C ATOM 1022 OE1 GLU A 64 -14.194 -7.697 -3.936 1.00 0.00 O ATOM 1023 OE2 GLU A 64 -12.601 -8.965 -4.786 1.00 0.00 O ATOM 0 H GLU A 64 -10.999 -4.113 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.750 -5.588 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.326 -5.550 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.062 -6.731 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.111 -7.337 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.399 -6.176 -3.125 1.00 0.00 H new ATOM 1030 N SER A 65 -8.694 -3.506 -5.350 1.00 0.00 N ATOM 1031 CA SER A 65 -7.690 -2.864 -6.186 1.00 0.00 C ATOM 1032 C SER A 65 -6.398 -3.680 -6.031 1.00 0.00 C ATOM 1033 O SER A 65 -6.342 -4.552 -5.164 1.00 0.00 O ATOM 1034 CB SER A 65 -7.526 -1.404 -5.760 1.00 0.00 C ATOM 1035 OG SER A 65 -7.713 -1.215 -4.375 1.00 0.00 O ATOM 0 H SER A 65 -8.726 -3.111 -4.410 1.00 0.00 H new ATOM 0 HA SER A 65 -7.975 -2.844 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.530 -1.059 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.241 -0.788 -6.306 1.00 0.00 H new ATOM 0 HG SER A 65 -8.533 -0.700 -4.223 1.00 0.00 H new ATOM 1041 N THR A 66 -5.351 -3.400 -6.810 1.00 0.00 N ATOM 1042 CA THR A 66 -4.100 -4.145 -6.747 1.00 0.00 C ATOM 1043 C THR A 66 -2.974 -3.132 -6.642 1.00 0.00 C ATOM 1044 O THR A 66 -2.728 -2.344 -7.563 1.00 0.00 O ATOM 1045 CB THR A 66 -4.012 -5.119 -7.936 1.00 0.00 C ATOM 1046 OG1 THR A 66 -5.128 -5.984 -7.862 1.00 0.00 O ATOM 1047 CG2 THR A 66 -2.745 -5.982 -7.901 1.00 0.00 C ATOM 0 H THR A 66 -5.350 -2.650 -7.501 1.00 0.00 H new ATOM 0 HA THR A 66 -4.030 -4.787 -5.869 1.00 0.00 H new ATOM 0 HB THR A 66 -3.990 -4.532 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.101 -6.617 -8.609 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.736 -6.650 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.866 -5.339 -7.931 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.732 -6.572 -6.985 1.00 0.00 H new ATOM 1055 N LEU A 67 -2.363 -3.100 -5.461 1.00 0.00 N ATOM 1056 CA LEU A 67 -1.273 -2.221 -5.090 1.00 0.00 C ATOM 1057 C LEU A 67 0.003 -3.034 -5.275 1.00 0.00 C ATOM 1058 O LEU A 67 0.232 -4.010 -4.565 1.00 0.00 O ATOM 1059 CB LEU A 67 -1.477 -1.707 -3.653 1.00 0.00 C ATOM 1060 CG LEU A 67 -2.531 -0.581 -3.550 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -3.955 -0.975 -3.974 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -2.635 -0.040 -2.125 1.00 0.00 C ATOM 0 H LEU A 67 -2.634 -3.723 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.220 -1.325 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.780 -2.538 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.526 -1.341 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.160 0.167 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.618 -0.117 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.948 -1.298 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.310 -1.790 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.385 0.750 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.924 -0.846 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.670 0.362 -1.817 1.00 0.00 H new ATOM 1074 N HIS A 68 0.791 -2.698 -6.288 1.00 0.00 N ATOM 1075 CA HIS A 68 2.029 -3.407 -6.582 1.00 0.00 C ATOM 1076 C HIS A 68 3.143 -2.929 -5.647 1.00 0.00 C ATOM 1077 O HIS A 68 3.209 -1.722 -5.391 1.00 0.00 O ATOM 1078 CB HIS A 68 2.385 -3.172 -8.058 1.00 0.00 C ATOM 1079 CG HIS A 68 2.772 -4.457 -8.723 1.00 0.00 C ATOM 1080 ND1 HIS A 68 4.021 -5.022 -8.674 1.00 0.00 N ATOM 1081 CD2 HIS A 68 1.921 -5.330 -9.343 1.00 0.00 C ATOM 1082 CE1 HIS A 68 3.915 -6.236 -9.246 1.00 0.00 C ATOM 1083 NE2 HIS A 68 2.664 -6.459 -9.687 1.00 0.00 N ATOM 0 H HIS A 68 0.591 -1.929 -6.927 1.00 0.00 H new ATOM 0 HA HIS A 68 1.906 -4.477 -6.416 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.534 -2.731 -8.576 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.206 -2.459 -8.130 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.865 -4.604 -8.281 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.869 -5.174 -9.531 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.729 -6.940 -9.339 1.00 0.00 H new ATOM 1090 N LEU A 69 3.991 -3.833 -5.136 1.00 0.00 N ATOM 1091 CA LEU A 69 5.098 -3.477 -4.248 1.00 0.00 C ATOM 1092 C LEU A 69 6.400 -3.372 -5.032 1.00 0.00 C ATOM 1093 O LEU A 69 6.745 -4.289 -5.775 1.00 0.00 O ATOM 1094 CB LEU A 69 5.301 -4.481 -3.094 1.00 0.00 C ATOM 1095 CG LEU A 69 4.249 -4.396 -1.974 1.00 0.00 C ATOM 1096 CD1 LEU A 69 4.498 -5.460 -0.899 1.00 0.00 C ATOM 1097 CD2 LEU A 69 4.269 -3.029 -1.282 1.00 0.00 C ATOM 0 H LEU A 69 3.925 -4.832 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 69 4.830 -2.515 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.294 -5.491 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.288 -4.320 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 69 3.283 -4.557 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.739 -5.376 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.447 -6.451 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.485 -5.311 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.513 -3.007 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.252 -2.858 -0.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.057 -2.248 -2.012 1.00 0.00 H new ATOM 1109 N VAL A 70 7.109 -2.256 -4.880 1.00 0.00 N ATOM 1110 CA VAL A 70 8.400 -1.968 -5.503 1.00 0.00 C ATOM 1111 C VAL A 70 9.210 -1.187 -4.462 1.00 0.00 C ATOM 1112 O VAL A 70 8.618 -0.470 -3.654 1.00 0.00 O ATOM 1113 CB VAL A 70 8.263 -1.227 -6.853 1.00 0.00 C ATOM 1114 CG1 VAL A 70 7.585 -2.094 -7.927 1.00 0.00 C ATOM 1115 CG2 VAL A 70 7.500 0.101 -6.742 1.00 0.00 C ATOM 0 H VAL A 70 6.783 -1.490 -4.290 1.00 0.00 H new ATOM 0 HA VAL A 70 8.916 -2.890 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 70 9.289 -1.012 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.512 -1.530 -8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.176 -2.994 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.586 -2.373 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.440 0.569 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.494 -0.088 -6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.024 0.765 -6.055 1.00 0.00 H new ATOM 1125 N LEU A 71 10.543 -1.244 -4.487 1.00 0.00 N ATOM 1126 CA LEU A 71 11.330 -0.532 -3.483 1.00 0.00 C ATOM 1127 C LEU A 71 11.485 0.965 -3.760 1.00 0.00 C ATOM 1128 O LEU A 71 11.304 1.465 -4.877 1.00 0.00 O ATOM 1129 CB LEU A 71 12.660 -1.256 -3.206 1.00 0.00 C ATOM 1130 CG LEU A 71 13.706 -1.320 -4.336 1.00 0.00 C ATOM 1131 CD1 LEU A 71 14.538 -0.035 -4.463 1.00 0.00 C ATOM 1132 CD2 LEU A 71 14.674 -2.470 -4.031 1.00 0.00 C ATOM 0 H LEU A 71 11.088 -1.763 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 71 10.756 -0.560 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.128 -0.775 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.427 -2.279 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 71 13.163 -1.461 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.255 -0.145 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.878 0.807 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.072 0.146 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 71 15.424 -2.533 -4.820 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.166 -2.287 -3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 71 14.121 -3.408 -3.981 1.00 0.00 H new