USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 134:sc= 1.26 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.01 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.321 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -153:sc= 0.462 (180deg=-0.527) USER MOD Set 3.2: A 12 THR OG1 : rot 120:sc= 0.665 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0388 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.86 (180deg=0.736) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0342 F(o=-0.84,f=-0.034) USER MOD Single : A 11 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.514) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.075 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= 1.15 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.03) USER MOD Single : A 31 GLN : amide:sc= -0.0789 K(o=-0.079,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= 1.44 K(o=1.4,f=-3.6!) 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=-0.037) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.334 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=-0.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 91:sc= 0.99 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.45 K(o=0.45,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.720 -7.016 -5.086 1.00 9.67 N ATOM 2 CA MET A 1 11.532 -7.339 -3.660 1.00 10.38 C ATOM 3 C MET A 1 10.130 -7.631 -3.292 1.00 9.62 C ATOM 4 O MET A 1 9.257 -7.339 -4.042 1.00 9.62 O ATOM 5 CB MET A 1 12.125 -6.077 -2.935 1.00 13.77 C ATOM 6 CG MET A 1 11.316 -4.737 -2.951 1.00 16.29 C ATOM 7 SD MET A 1 12.178 -3.416 -2.053 1.00 17.17 S ATOM 8 CE MET A 1 10.640 -2.467 -1.903 1.00 16.11 C ATOM 0 H1 MET A 1 12.626 -6.521 -5.213 1.00 9.67 H new ATOM 0 H2 MET A 1 11.724 -7.894 -5.643 1.00 9.67 H new ATOM 0 H3 MET A 1 10.943 -6.405 -5.409 1.00 9.67 H new ATOM 0 HA MET A 1 12.030 -8.265 -3.371 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.293 -6.346 -1.892 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.102 -5.876 -3.374 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.149 -4.426 -3.982 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.335 -4.900 -2.504 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.876 -1.419 -1.719 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.068 -2.553 -2.827 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.051 -2.858 -1.073 1.00 16.11 H new ATOM 20 N GLN A 2 9.908 -8.328 -2.126 1.00 9.27 N ATOM 21 CA GLN A 2 8.595 -8.553 -1.547 1.00 9.07 C ATOM 22 C GLN A 2 8.334 -7.688 -0.349 1.00 8.72 C ATOM 23 O GLN A 2 9.200 -7.246 0.381 1.00 8.22 O ATOM 24 CB GLN A 2 8.329 -10.061 -1.152 1.00 14.46 C ATOM 25 CG GLN A 2 8.175 -11.062 -2.398 1.00 17.01 C ATOM 26 CD GLN A 2 9.555 -11.318 -3.200 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.404 -11.513 -4.530 1.00 21.89 O flip ATOM 28 NE2 GLN A 2 10.703 -11.454 -2.654 1.00 19.49 N flip ATOM 0 H GLN A 2 10.664 -8.741 -1.580 1.00 9.27 H new ATOM 0 HA GLN A 2 7.905 -8.280 -2.345 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.149 -10.408 -0.523 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.422 -10.110 -0.549 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.791 -12.017 -2.040 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.434 -10.658 -3.088 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.811 -11.306 -1.651 1.00 19.49 H new ATOM 0 HE22 GLN A 2 11.511 -11.711 -3.222 1.00 19.49 H new ATOM 37 N ILE A 3 6.994 -7.517 -0.078 1.00 5.87 N ATOM 38 CA ILE A 3 6.421 -6.808 1.121 1.00 5.07 C ATOM 39 C ILE A 3 5.115 -7.518 1.502 1.00 4.01 C ATOM 40 O ILE A 3 4.508 -8.367 0.810 1.00 4.61 O ATOM 41 CB ILE A 3 6.246 -5.302 0.883 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.334 -5.014 -0.319 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.598 -4.518 0.879 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.825 -3.550 -0.457 1.00 10.83 C ATOM 0 H ILE A 3 6.270 -7.876 -0.700 1.00 5.87 H new ATOM 0 HA ILE A 3 7.117 -6.865 1.958 1.00 5.07 H new ATOM 0 HB ILE A 3 5.717 -4.901 1.748 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.873 -5.277 -1.229 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.469 -5.674 -0.259 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.404 -3.459 0.706 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.094 -4.643 1.841 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.240 -4.904 0.087 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.191 -3.467 -1.340 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.250 -3.280 0.429 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.676 -2.877 -0.557 1.00 10.83 H new ATOM 56 N PHE A 4 4.607 -7.210 2.758 1.00 4.55 N ATOM 57 CA PHE A 4 3.482 -7.831 3.405 1.00 4.68 C ATOM 58 C PHE A 4 2.420 -6.801 3.583 1.00 5.30 C ATOM 59 O PHE A 4 2.743 -5.741 4.097 1.00 5.58 O ATOM 60 CB PHE A 4 3.815 -8.619 4.669 1.00 4.83 C ATOM 61 CG PHE A 4 4.889 -9.554 4.549 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.879 -10.549 3.525 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.066 -9.431 5.328 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.997 -11.382 3.342 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.128 -10.302 5.157 1.00 10.61 C ATOM 66 CZ PHE A 4 7.107 -11.274 4.177 1.00 8.90 C ATOM 0 H PHE A 4 5.025 -6.480 3.335 1.00 4.55 H new ATOM 0 HA PHE A 4 3.107 -8.622 2.756 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.059 -7.912 5.462 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.922 -9.158 4.986 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.012 -10.662 2.891 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.136 -8.646 6.066 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.995 -12.113 2.547 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.990 -10.220 5.803 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.945 -11.946 4.059 1.00 8.90 H new ATOM 76 N VAL A 5 1.107 -7.040 3.227 1.00 4.44 N ATOM 77 CA VAL A 5 0.006 -6.089 3.497 1.00 3.87 C ATOM 78 C VAL A 5 -1.014 -6.691 4.415 1.00 4.93 C ATOM 79 O VAL A 5 -1.687 -7.645 4.078 1.00 6.84 O ATOM 80 CB VAL A 5 -0.527 -5.464 2.245 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.617 -4.383 2.439 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.649 -4.861 1.419 1.00 9.13 C ATOM 0 H VAL A 5 0.805 -7.891 2.752 1.00 4.44 H new ATOM 0 HA VAL A 5 0.403 -5.237 4.049 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.023 -6.280 1.718 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.928 -4.001 1.467 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.476 -4.820 2.949 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.216 -3.566 3.039 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.259 -4.407 0.508 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.159 -4.103 2.013 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.353 -5.651 1.157 1.00 9.13 H new ATOM 92 N LYS A 6 -1.229 -6.106 5.631 1.00 6.04 N ATOM 93 CA LYS A 6 -2.250 -6.561 6.470 1.00 6.12 C ATOM 94 C LYS A 6 -3.433 -5.680 6.326 1.00 6.57 C ATOM 95 O LYS A 6 -3.418 -4.424 6.419 1.00 5.76 O ATOM 96 CB LYS A 6 -1.847 -6.694 7.991 1.00 7.45 C ATOM 97 CG LYS A 6 -0.769 -7.783 8.293 1.00 11.12 C ATOM 98 CD LYS A 6 -0.671 -8.059 9.796 1.00 14.54 C ATOM 99 CE LYS A 6 0.198 -9.297 10.149 1.00 18.84 C ATOM 100 NZ LYS A 6 0.049 -10.400 9.161 1.00 20.55 N ATOM 0 H LYS A 6 -0.684 -5.327 6.001 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.478 -7.577 6.147 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.476 -5.730 8.339 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.742 -6.919 8.571 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.020 -8.704 7.767 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.200 -7.455 7.916 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.255 -7.181 10.291 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.675 -8.205 10.196 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.245 -8.999 10.200 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.079 -9.661 11.139 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.244 -11.310 9.625 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.921 -10.402 8.787 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.721 -10.259 8.380 1.00 20.55 H new ATOM 114 N THR A 7 -4.575 -6.337 6.101 1.00 7.41 N ATOM 115 CA THR A 7 -5.895 -5.635 5.988 1.00 7.48 C ATOM 116 C THR A 7 -6.545 -5.374 7.326 1.00 8.75 C ATOM 117 O THR A 7 -6.493 -6.157 8.266 1.00 8.58 O ATOM 118 CB THR A 7 -6.792 -6.251 4.878 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.526 -7.390 5.335 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.972 -6.780 3.703 1.00 9.17 C ATOM 0 H THR A 7 -4.631 -7.350 5.991 1.00 7.41 H new ATOM 0 HA THR A 7 -5.709 -4.624 5.627 1.00 7.48 H new ATOM 0 HB THR A 7 -7.451 -5.432 4.588 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.075 -7.740 4.603 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.641 -7.201 2.953 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.400 -5.964 3.262 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.289 -7.553 4.055 1.00 9.17 H new ATOM 128 N LEU A 8 -7.297 -4.321 7.409 1.00 9.84 N ATOM 129 CA LEU A 8 -8.143 -3.944 8.554 1.00 14.15 C ATOM 130 C LEU A 8 -9.213 -5.007 8.891 1.00 17.37 C ATOM 131 O LEU A 8 -9.622 -5.264 10.027 1.00 17.01 O ATOM 132 CB LEU A 8 -8.799 -2.510 8.300 1.00 16.63 C ATOM 133 CG LEU A 8 -9.643 -1.979 9.509 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.843 -1.464 10.730 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.423 -0.822 8.929 1.00 18.59 C ATOM 0 H LEU A 8 -7.357 -3.646 6.646 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.498 -3.888 9.431 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.009 -1.793 8.078 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.438 -2.564 7.418 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.230 -2.806 9.908 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.534 -1.123 11.501 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.226 -2.270 11.127 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.205 -0.635 10.424 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.049 -0.380 9.704 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.731 -0.070 8.550 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.053 -1.180 8.114 1.00 18.59 H new ATOM 147 N THR A 9 -9.700 -5.781 7.882 1.00 18.33 N ATOM 148 CA THR A 9 -10.816 -6.744 7.894 1.00 19.24 C ATOM 149 C THR A 9 -10.277 -8.167 8.086 1.00 19.48 C ATOM 150 O THR A 9 -11.018 -9.103 7.884 1.00 23.14 O ATOM 151 CB THR A 9 -11.772 -6.601 6.675 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.021 -6.760 5.489 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.327 -5.186 6.660 1.00 19.70 C ATOM 0 H THR A 9 -9.275 -5.735 6.956 1.00 18.33 H new ATOM 0 HA THR A 9 -11.450 -6.510 8.749 1.00 19.24 H new ATOM 0 HB THR A 9 -12.569 -7.342 6.742 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.613 -6.674 4.713 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.000 -5.068 5.811 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.873 -5.000 7.585 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.506 -4.474 6.574 1.00 19.70 H new ATOM 161 N GLY A 10 -8.987 -8.314 8.395 1.00 19.43 N ATOM 162 CA GLY A 10 -8.326 -9.510 8.863 1.00 18.74 C ATOM 163 C GLY A 10 -7.497 -10.368 7.945 1.00 17.62 C ATOM 164 O GLY A 10 -7.009 -11.462 8.312 1.00 19.74 O ATOM 0 H GLY A 10 -8.337 -7.532 8.314 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.677 -9.210 9.686 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.099 -10.153 9.284 1.00 18.74 H new ATOM 168 N LYS A 11 -7.306 -10.087 6.644 1.00 13.56 N ATOM 169 CA LYS A 11 -6.515 -10.875 5.774 1.00 11.91 C ATOM 170 C LYS A 11 -5.131 -10.326 5.776 1.00 10.18 C ATOM 171 O LYS A 11 -4.804 -9.189 6.219 1.00 9.10 O ATOM 172 CB LYS A 11 -7.130 -10.707 4.385 1.00 13.43 C ATOM 173 CG LYS A 11 -6.819 -11.805 3.347 1.00 16.69 C ATOM 174 CD LYS A 11 -7.545 -11.451 2.019 1.00 17.92 C ATOM 175 CE LYS A 11 -7.113 -12.447 0.928 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.890 -12.211 -0.309 1.00 21.93 N ATOM 0 H LYS A 11 -7.723 -9.276 6.187 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.483 -11.923 6.071 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.212 -10.644 4.498 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.796 -9.752 3.979 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.744 -11.877 3.183 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.151 -12.777 3.713 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.625 -11.491 2.159 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.301 -10.433 1.717 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.048 -12.337 0.725 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.267 -13.469 1.275 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.342 -12.536 -1.131 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.786 -12.736 -0.261 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.089 -11.195 -0.406 1.00 21.93 H new ATOM 190 N THR A 12 -4.145 -11.114 5.363 1.00 9.63 N ATOM 191 CA THR A 12 -2.781 -10.737 5.168 1.00 9.85 C ATOM 192 C THR A 12 -2.481 -11.088 3.774 1.00 11.66 C ATOM 193 O THR A 12 -2.813 -12.178 3.307 1.00 12.33 O ATOM 194 CB THR A 12 -1.716 -11.293 6.045 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.071 -10.951 7.364 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.341 -10.716 5.765 1.00 9.63 C ATOM 0 H THR A 12 -4.306 -12.097 5.145 1.00 9.63 H new ATOM 0 HA THR A 12 -2.739 -9.681 5.437 1.00 9.85 H new ATOM 0 HB THR A 12 -1.649 -12.367 5.870 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.188 -11.767 7.893 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.387 -11.166 6.440 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.060 -10.930 4.734 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.361 -9.637 5.919 1.00 9.63 H new ATOM 204 N ILE A 13 -1.852 -10.192 3.046 1.00 10.42 N ATOM 205 CA ILE A 13 -1.432 -10.435 1.633 1.00 11.84 C ATOM 206 C ILE A 13 0.070 -10.260 1.498 1.00 10.55 C ATOM 207 O ILE A 13 0.783 -9.447 2.121 1.00 11.92 O ATOM 208 CB ILE A 13 -2.317 -9.649 0.621 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.115 -8.142 0.575 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.778 -10.112 0.834 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.904 -7.428 -0.528 1.00 16.46 C ATOM 0 H ILE A 13 -1.605 -9.265 3.393 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.618 -11.473 1.358 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.993 -9.898 -0.389 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.400 -7.720 1.539 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.054 -7.934 0.437 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.432 -9.583 0.141 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.850 -11.184 0.653 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.083 -9.895 1.858 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.700 -6.358 -0.487 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.603 -7.817 -1.501 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.970 -7.600 -0.382 1.00 16.46 H new ATOM 223 N THR A 14 0.644 -11.059 0.559 1.00 9.39 N ATOM 224 CA THR A 14 2.110 -10.888 0.198 1.00 9.63 C ATOM 225 C THR A 14 2.287 -10.329 -1.211 1.00 11.20 C ATOM 226 O THR A 14 1.683 -10.850 -2.145 1.00 11.63 O ATOM 227 CB THR A 14 2.916 -12.166 0.126 1.00 10.38 C ATOM 228 OG1 THR A 14 2.750 -12.747 1.397 1.00 16.30 O ATOM 229 CG2 THR A 14 4.425 -11.830 -0.129 1.00 11.66 C ATOM 0 H THR A 14 0.158 -11.798 0.051 1.00 9.39 H new ATOM 0 HA THR A 14 2.457 -10.239 1.003 1.00 9.63 H new ATOM 0 HB THR A 14 2.597 -12.827 -0.680 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.245 -13.592 1.438 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.000 -12.755 -0.180 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.523 -11.289 -1.070 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.803 -11.212 0.686 1.00 11.66 H new ATOM 237 N LEU A 15 2.976 -9.201 -1.451 1.00 8.29 N ATOM 238 CA LEU A 15 3.118 -8.555 -2.703 1.00 9.03 C ATOM 239 C LEU A 15 4.532 -8.417 -3.168 1.00 8.59 C ATOM 240 O LEU A 15 5.501 -8.208 -2.416 1.00 7.79 O ATOM 241 CB LEU A 15 2.544 -7.165 -2.484 1.00 11.08 C ATOM 242 CG LEU A 15 1.052 -7.047 -2.102 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.818 -5.562 -1.718 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.178 -7.321 -3.317 1.00 15.27 C ATOM 0 H LEU A 15 3.469 -8.709 -0.706 1.00 8.29 H new ATOM 0 HA LEU A 15 2.617 -9.145 -3.471 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.128 -6.682 -1.700 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.701 -6.591 -3.398 1.00 11.08 H new ATOM 0 HG LEU A 15 0.811 -7.748 -1.303 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.226 -5.419 -1.437 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.459 -5.298 -0.877 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.056 -4.924 -2.569 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.872 -7.235 -3.037 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.405 -6.597 -4.099 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.374 -8.328 -3.687 1.00 15.27 H new ATOM 256 N GLU A 16 4.700 -8.505 -4.510 1.00 11.04 N ATOM 257 CA GLU A 16 5.961 -8.280 -5.071 1.00 11.50 C ATOM 258 C GLU A 16 6.071 -6.963 -5.922 1.00 10.13 C ATOM 259 O GLU A 16 5.238 -6.625 -6.747 1.00 9.83 O ATOM 260 CB GLU A 16 6.521 -9.548 -5.830 1.00 17.22 C ATOM 261 CG GLU A 16 7.902 -9.434 -6.446 1.00 23.33 C ATOM 262 CD GLU A 16 8.353 -10.624 -7.363 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.418 -11.247 -7.895 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.547 -10.963 -7.424 1.00 28.86 O ATOM 0 H GLU A 16 3.961 -8.729 -5.176 1.00 11.04 H new ATOM 0 HA GLU A 16 6.617 -8.108 -4.218 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.532 -10.383 -5.130 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.818 -9.805 -6.622 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.940 -8.516 -7.033 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.629 -9.328 -5.640 1.00 23.33 H new ATOM 271 N VAL A 17 7.162 -6.178 -5.665 1.00 8.99 N ATOM 272 CA VAL A 17 7.217 -4.789 -6.043 1.00 8.85 C ATOM 273 C VAL A 17 8.699 -4.486 -6.307 1.00 8.04 C ATOM 274 O VAL A 17 9.606 -5.154 -5.842 1.00 8.99 O ATOM 275 CB VAL A 17 6.744 -3.822 -4.936 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.175 -3.902 -4.826 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.451 -4.112 -3.572 1.00 10.54 C ATOM 0 H VAL A 17 8.002 -6.515 -5.194 1.00 8.99 H new ATOM 0 HA VAL A 17 6.559 -4.640 -6.899 1.00 8.85 H new ATOM 0 HB VAL A 17 7.025 -2.803 -5.202 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.830 -3.223 -4.047 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.729 -3.618 -5.779 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.879 -4.921 -4.576 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.091 -3.411 -2.819 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.227 -5.131 -3.255 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.529 -3.997 -3.689 1.00 10.54 H new ATOM 287 N GLU A 18 9.052 -3.341 -6.985 1.00 7.29 N ATOM 288 CA GLU A 18 10.417 -2.857 -7.016 1.00 7.08 C ATOM 289 C GLU A 18 10.506 -1.517 -6.263 1.00 6.45 C ATOM 290 O GLU A 18 9.491 -0.824 -6.211 1.00 5.28 O ATOM 291 CB GLU A 18 11.024 -2.711 -8.398 1.00 10.28 C ATOM 292 CG GLU A 18 11.337 -4.075 -9.025 1.00 12.65 C ATOM 293 CD GLU A 18 12.348 -4.983 -8.226 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.415 -4.523 -7.763 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.027 -6.205 -8.115 1.00 14.33 O ATOM 0 H GLU A 18 8.391 -2.763 -7.504 1.00 7.29 H new ATOM 0 HA GLU A 18 11.009 -3.630 -6.526 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.336 -2.163 -9.042 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.938 -2.121 -8.334 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.402 -4.622 -9.143 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.738 -3.910 -10.025 1.00 12.65 H new ATOM 302 N PRO A 19 11.607 -1.067 -5.685 1.00 7.24 N ATOM 303 CA PRO A 19 11.673 0.058 -4.784 1.00 7.07 C ATOM 304 C PRO A 19 11.357 1.358 -5.479 1.00 6.65 C ATOM 305 O PRO A 19 10.951 2.329 -4.833 1.00 6.37 O ATOM 306 CB PRO A 19 13.080 0.029 -4.181 1.00 7.61 C ATOM 307 CG PRO A 19 13.890 -0.849 -5.094 1.00 8.16 C ATOM 308 CD PRO A 19 12.883 -1.855 -5.604 1.00 7.49 C ATOM 0 HA PRO A 19 10.920 -0.014 -3.999 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.503 1.032 -4.124 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.064 -0.369 -3.166 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.335 -0.278 -5.909 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.708 -1.335 -4.562 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.171 -2.253 -6.577 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.787 -2.705 -4.928 1.00 7.49 H new ATOM 316 N SER A 20 11.650 1.457 -6.795 1.00 6.80 N ATOM 317 CA SER A 20 11.330 2.466 -7.747 1.00 6.28 C ATOM 318 C SER A 20 9.830 2.577 -8.072 1.00 8.45 C ATOM 319 O SER A 20 9.459 3.549 -8.745 1.00 7.26 O ATOM 320 CB SER A 20 12.191 2.184 -9.035 1.00 8.57 C ATOM 321 OG SER A 20 12.071 0.780 -9.334 1.00 11.13 O ATOM 0 H SER A 20 12.189 0.715 -7.241 1.00 6.80 H new ATOM 0 HA SER A 20 11.572 3.438 -7.317 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.838 2.786 -9.872 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.234 2.453 -8.866 1.00 8.57 H new ATOM 0 HG SER A 20 12.596 0.570 -10.135 1.00 11.13 H new ATOM 327 N ASP A 21 8.949 1.615 -7.674 1.00 7.50 N ATOM 328 CA ASP A 21 7.506 1.804 -7.863 1.00 7.70 C ATOM 329 C ASP A 21 6.825 2.830 -6.932 1.00 7.08 C ATOM 330 O ASP A 21 7.324 3.170 -5.824 1.00 8.11 O ATOM 331 CB ASP A 21 6.843 0.463 -7.646 1.00 11.00 C ATOM 332 CG ASP A 21 7.123 -0.587 -8.678 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.484 -0.242 -9.831 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.030 -1.789 -8.267 1.00 14.36 O ATOM 0 H ASP A 21 9.214 0.733 -7.236 1.00 7.50 H new ATOM 0 HA ASP A 21 7.387 2.208 -8.869 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.154 0.080 -6.674 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.765 0.617 -7.598 1.00 11.00 H new ATOM 339 N THR A 22 5.734 3.514 -7.436 1.00 5.37 N ATOM 340 CA THR A 22 5.004 4.442 -6.644 1.00 6.01 C ATOM 341 C THR A 22 3.917 3.794 -5.709 1.00 8.01 C ATOM 342 O THR A 22 3.451 2.694 -5.989 1.00 8.11 O ATOM 343 CB THR A 22 4.344 5.558 -7.478 1.00 8.92 C ATOM 344 OG1 THR A 22 3.746 4.994 -8.648 1.00 10.22 O ATOM 345 CG2 THR A 22 5.415 6.554 -7.994 1.00 9.65 C ATOM 0 H THR A 22 5.383 3.405 -8.388 1.00 5.37 H new ATOM 0 HA THR A 22 5.773 4.875 -6.004 1.00 6.01 H new ATOM 0 HB THR A 22 3.612 6.055 -6.841 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.326 5.705 -9.176 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.932 7.335 -8.581 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.932 7.004 -7.146 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.134 6.024 -8.618 1.00 9.65 H new ATOM 353 N ILE A 23 3.461 4.532 -4.639 1.00 8.32 N ATOM 354 CA ILE A 23 2.449 4.035 -3.713 1.00 9.92 C ATOM 355 C ILE A 23 1.153 3.844 -4.594 1.00 10.01 C ATOM 356 O ILE A 23 0.448 2.835 -4.351 1.00 8.71 O ATOM 357 CB ILE A 23 2.334 5.007 -2.458 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.674 5.142 -1.763 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.249 4.502 -1.470 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.241 3.848 -1.132 1.00 12.30 C ATOM 0 H ILE A 23 3.796 5.470 -4.421 1.00 8.32 H new ATOM 0 HA ILE A 23 2.679 3.077 -3.247 1.00 9.92 H new ATOM 0 HB ILE A 23 2.035 5.992 -2.815 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.399 5.520 -2.484 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.581 5.895 -0.980 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.187 5.181 -0.620 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.284 4.466 -1.976 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.512 3.504 -1.119 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.201 4.062 -0.663 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.546 3.475 -0.380 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.376 3.094 -1.907 1.00 12.30 H new ATOM 372 N GLU A 24 0.842 4.679 -5.602 1.00 9.54 N ATOM 373 CA GLU A 24 -0.275 4.536 -6.603 1.00 11.81 C ATOM 374 C GLU A 24 -0.196 3.281 -7.522 1.00 11.14 C ATOM 375 O GLU A 24 -1.071 2.444 -7.732 1.00 10.62 O ATOM 376 CB GLU A 24 -0.513 5.889 -7.374 1.00 19.24 C ATOM 377 CG GLU A 24 -1.891 5.898 -8.040 1.00 27.76 C ATOM 378 CD GLU A 24 -2.407 7.302 -8.435 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.815 7.827 -9.386 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.299 7.779 -7.740 1.00 36.51 O ATOM 0 H GLU A 24 1.385 5.527 -5.765 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.173 4.329 -6.021 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.433 6.727 -6.681 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.262 6.024 -8.129 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.852 5.275 -8.934 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.610 5.438 -7.362 1.00 27.76 H new ATOM 387 N ASN A 25 1.052 2.928 -7.862 1.00 9.43 N ATOM 388 CA ASN A 25 1.403 1.586 -8.506 1.00 10.96 C ATOM 389 C ASN A 25 1.109 0.388 -7.603 1.00 9.68 C ATOM 390 O ASN A 25 0.555 -0.589 -8.074 1.00 9.33 O ATOM 391 CB ASN A 25 2.914 1.552 -8.876 1.00 16.78 C ATOM 392 CG ASN A 25 3.195 0.500 -9.930 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.625 -0.587 -9.518 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.070 0.829 -11.175 1.00 24.70 N ATOM 0 H ASN A 25 1.860 3.533 -7.714 1.00 9.43 H new ATOM 0 HA ASN A 25 0.774 1.504 -9.392 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.224 2.531 -9.243 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.505 1.344 -7.984 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.336 0.169 -11.906 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.706 1.748 -11.425 1.00 24.70 H new ATOM 401 N VAL A 26 1.501 0.473 -6.342 1.00 6.52 N ATOM 402 CA VAL A 26 1.131 -0.501 -5.334 1.00 5.53 C ATOM 403 C VAL A 26 -0.414 -0.579 -5.154 1.00 4.42 C ATOM 404 O VAL A 26 -0.950 -1.700 -5.165 1.00 3.40 O ATOM 405 CB VAL A 26 1.820 -0.401 -3.967 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.415 -1.716 -3.147 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.332 -0.387 -4.150 1.00 8.12 C ATOM 0 H VAL A 26 2.090 1.227 -5.989 1.00 6.52 H new ATOM 0 HA VAL A 26 1.519 -1.429 -5.754 1.00 5.53 H new ATOM 0 HB VAL A 26 1.518 0.509 -3.449 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.884 -1.690 -2.163 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.332 -1.754 -3.032 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.754 -2.600 -3.687 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.816 -0.316 -3.176 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.647 -1.305 -4.645 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.617 0.470 -4.760 1.00 8.12 H new ATOM 417 N LYS A 27 -1.121 0.553 -5.199 1.00 2.64 N ATOM 418 CA LYS A 27 -2.627 0.509 -5.313 1.00 4.14 C ATOM 419 C LYS A 27 -3.174 -0.217 -6.553 1.00 5.58 C ATOM 420 O LYS A 27 -4.215 -0.878 -6.473 1.00 4.11 O ATOM 421 CB LYS A 27 -3.348 1.871 -5.075 1.00 3.97 C ATOM 422 CG LYS A 27 -2.911 2.488 -3.748 1.00 7.45 C ATOM 423 CD LYS A 27 -3.483 3.839 -3.401 1.00 9.02 C ATOM 424 CE LYS A 27 -3.009 4.398 -2.087 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.625 5.725 -1.754 1.00 15.47 N ATOM 0 H LYS A 27 -0.718 1.489 -5.162 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.889 -0.123 -4.464 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.122 2.556 -5.892 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.428 1.721 -5.074 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.172 1.794 -2.949 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.824 2.572 -3.755 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.228 4.542 -4.194 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.570 3.764 -3.379 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.240 3.688 -1.293 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.925 4.504 -2.115 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.695 5.826 -0.721 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.032 6.489 -2.137 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.575 5.782 -2.173 1.00 15.47 H new ATOM 439 N ALA A 28 -2.528 -0.113 -7.729 1.00 6.61 N ATOM 440 CA ALA A 28 -2.921 -0.901 -8.882 1.00 7.74 C ATOM 441 C ALA A 28 -2.679 -2.420 -8.777 1.00 9.17 C ATOM 442 O ALA A 28 -3.411 -3.274 -9.228 1.00 11.45 O ATOM 443 CB ALA A 28 -2.251 -0.369 -10.225 1.00 7.68 C ATOM 0 H ALA A 28 -1.737 0.510 -7.892 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.002 -0.763 -8.907 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.573 -0.988 -11.062 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.555 0.663 -10.399 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.166 -0.417 -10.134 1.00 7.68 H new ATOM 449 N LYS A 29 -1.624 -2.785 -8.052 1.00 8.96 N ATOM 450 CA LYS A 29 -1.320 -4.184 -7.718 1.00 7.90 C ATOM 451 C LYS A 29 -2.262 -4.792 -6.722 1.00 6.92 C ATOM 452 O LYS A 29 -2.688 -5.899 -6.857 1.00 6.87 O ATOM 453 CB LYS A 29 0.234 -4.285 -7.371 1.00 10.28 C ATOM 454 CG LYS A 29 0.812 -5.628 -7.170 1.00 14.94 C ATOM 455 CD LYS A 29 2.347 -5.600 -7.257 1.00 19.69 C ATOM 456 CE LYS A 29 2.884 -5.611 -8.688 1.00 22.63 C ATOM 457 NZ LYS A 29 4.257 -5.184 -8.891 1.00 24.98 N ATOM 0 H LYS A 29 -0.949 -2.119 -7.675 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.504 -4.822 -8.583 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.788 -3.800 -8.174 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.413 -3.705 -6.465 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.509 -6.014 -6.197 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.416 -6.312 -7.921 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.714 -4.709 -6.748 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.748 -6.461 -6.722 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.786 -6.625 -9.077 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.240 -4.974 -9.294 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.585 -5.503 -9.825 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.309 -4.146 -8.841 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.862 -5.597 -8.152 1.00 24.98 H new ATOM 471 N ILE A 30 -2.652 -3.974 -5.670 1.00 4.57 N ATOM 472 CA ILE A 30 -3.710 -4.300 -4.738 1.00 5.58 C ATOM 473 C ILE A 30 -5.039 -4.336 -5.442 1.00 7.26 C ATOM 474 O ILE A 30 -5.826 -5.234 -5.185 1.00 9.46 O ATOM 475 CB ILE A 30 -3.637 -3.541 -3.393 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.378 -4.023 -2.606 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.849 -3.829 -2.480 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.943 -3.172 -1.508 1.00 2.00 C ATOM 0 H ILE A 30 -2.212 -3.074 -5.480 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.555 -5.319 -4.382 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.610 -2.479 -3.636 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.582 -5.017 -2.209 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.552 -4.124 -3.310 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.745 -3.270 -1.550 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.766 -3.525 -2.985 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.893 -4.896 -2.259 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.062 -3.608 -1.037 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.697 -2.181 -1.891 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.744 -3.089 -0.773 1.00 2.00 H new ATOM 490 N GLN A 31 -5.318 -3.435 -6.429 1.00 7.06 N ATOM 491 CA GLN A 31 -6.552 -3.449 -7.255 1.00 8.67 C ATOM 492 C GLN A 31 -6.524 -4.725 -8.061 1.00 10.90 C ATOM 493 O GLN A 31 -7.583 -5.376 -8.117 1.00 9.63 O ATOM 494 CB GLN A 31 -6.596 -2.155 -8.089 1.00 9.12 C ATOM 495 CG GLN A 31 -7.895 -2.116 -8.930 1.00 10.76 C ATOM 496 CD GLN A 31 -7.775 -0.913 -9.888 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.677 -0.485 -10.217 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.898 -0.450 -10.452 1.00 14.76 N ATOM 0 H GLN A 31 -4.684 -2.674 -6.671 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.473 -3.454 -6.672 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.551 -1.286 -7.432 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.726 -2.104 -8.744 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.021 -3.043 -9.489 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.768 -2.011 -8.286 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.804 -0.820 -10.164 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.848 0.273 -11.170 1.00 14.76 H new ATOM 507 N ASP A 32 -5.389 -5.138 -8.713 1.00 10.93 N ATOM 508 CA ASP A 32 -5.265 -6.410 -9.445 1.00 14.01 C ATOM 509 C ASP A 32 -5.362 -7.674 -8.569 1.00 14.04 C ATOM 510 O ASP A 32 -6.112 -8.592 -8.899 1.00 13.39 O ATOM 511 CB ASP A 32 -3.991 -6.290 -10.308 1.00 18.01 C ATOM 512 CG ASP A 32 -3.841 -7.514 -11.209 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.583 -7.544 -12.223 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.036 -8.444 -10.940 1.00 25.17 O ATOM 0 H ASP A 32 -4.536 -4.579 -8.735 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.130 -6.564 -10.090 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.040 -5.387 -10.916 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.116 -6.194 -9.665 1.00 18.01 H new ATOM 519 N LYS A 33 -4.728 -7.716 -7.445 1.00 14.22 N ATOM 520 CA LYS A 33 -4.696 -8.853 -6.516 1.00 14.00 C ATOM 521 C LYS A 33 -6.090 -8.949 -5.872 1.00 12.37 C ATOM 522 O LYS A 33 -6.781 -9.976 -5.967 1.00 12.17 O ATOM 523 CB LYS A 33 -3.585 -8.672 -5.529 1.00 18.62 C ATOM 524 CG LYS A 33 -3.509 -9.945 -4.686 1.00 24.00 C ATOM 525 CD LYS A 33 -2.196 -10.096 -3.918 1.00 27.61 C ATOM 526 CE LYS A 33 -2.152 -11.342 -3.020 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.256 -12.600 -3.696 1.00 30.06 N ATOM 0 H LYS A 33 -4.179 -6.925 -7.109 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.486 -9.796 -7.020 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.640 -8.495 -6.043 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.771 -7.804 -4.897 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.337 -9.951 -3.977 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.641 -10.809 -5.337 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.371 -10.141 -4.629 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.039 -9.209 -3.304 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.218 -11.329 -2.458 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.962 -11.273 -2.294 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.216 -13.372 -3.001 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.159 -12.644 -4.210 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.469 -12.699 -4.369 1.00 30.06 H new ATOM 541 N GLU A 34 -6.643 -7.859 -5.269 1.00 10.11 N ATOM 542 CA GLU A 34 -7.812 -7.969 -4.378 1.00 10.07 C ATOM 543 C GLU A 34 -9.085 -7.192 -4.796 1.00 9.32 C ATOM 544 O GLU A 34 -10.091 -7.179 -4.113 1.00 11.61 O ATOM 545 CB GLU A 34 -7.449 -7.394 -3.035 1.00 14.77 C ATOM 546 CG GLU A 34 -6.336 -8.149 -2.250 1.00 18.75 C ATOM 547 CD GLU A 34 -6.706 -9.574 -1.859 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.735 -9.765 -1.184 1.00 21.95 O ATOM 549 OE2 GLU A 34 -5.915 -10.543 -2.177 1.00 25.19 O ATOM 0 H GLU A 34 -6.295 -6.908 -5.388 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.048 -9.033 -4.398 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.129 -6.362 -3.178 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.347 -7.367 -2.418 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.431 -8.174 -2.858 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.098 -7.586 -1.347 1.00 18.75 H new ATOM 556 N GLY A 35 -9.093 -6.486 -5.964 1.00 7.22 N ATOM 557 CA GLY A 35 -10.269 -5.771 -6.498 1.00 6.29 C ATOM 558 C GLY A 35 -10.712 -4.675 -5.604 1.00 6.93 C ATOM 559 O GLY A 35 -11.873 -4.378 -5.445 1.00 7.41 O ATOM 0 H GLY A 35 -8.269 -6.403 -6.560 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.029 -5.362 -7.479 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.088 -6.476 -6.638 1.00 6.29 H new ATOM 563 N ILE A 36 -9.741 -3.912 -5.058 1.00 5.86 N ATOM 564 CA ILE A 36 -10.069 -2.814 -4.164 1.00 6.07 C ATOM 565 C ILE A 36 -9.637 -1.572 -4.982 1.00 6.36 C ATOM 566 O ILE A 36 -8.406 -1.329 -5.142 1.00 6.18 O ATOM 567 CB ILE A 36 -9.280 -2.741 -2.823 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.539 -4.031 -2.050 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.835 -1.465 -2.054 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.484 -4.148 -0.915 1.00 9.49 C ATOM 0 H ILE A 36 -8.743 -4.044 -5.225 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.115 -2.911 -3.872 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.203 -2.647 -2.959 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.546 -4.026 -1.632 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.475 -4.891 -2.717 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.317 -1.361 -1.101 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.666 -0.574 -2.658 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.904 -1.584 -1.875 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.655 -5.066 -0.352 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.484 -4.169 -1.348 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.572 -3.291 -0.247 1.00 9.49 H new ATOM 582 N PRO A 37 -10.605 -0.705 -5.410 1.00 8.65 N ATOM 583 CA PRO A 37 -10.206 0.578 -6.114 1.00 9.18 C ATOM 584 C PRO A 37 -9.151 1.452 -5.424 1.00 9.85 C ATOM 585 O PRO A 37 -9.279 1.630 -4.226 1.00 8.51 O ATOM 586 CB PRO A 37 -11.550 1.300 -6.423 1.00 11.42 C ATOM 587 CG PRO A 37 -12.564 0.143 -6.548 1.00 9.27 C ATOM 588 CD PRO A 37 -12.011 -1.085 -5.749 1.00 8.33 C ATOM 0 HA PRO A 37 -9.650 0.340 -7.021 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.826 1.991 -5.626 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.490 1.882 -7.343 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.535 0.445 -6.155 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.712 -0.121 -7.595 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.600 -1.272 -4.851 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.043 -1.996 -6.347 1.00 8.33 H new ATOM 596 N PRO A 38 -8.242 2.113 -6.108 1.00 8.71 N ATOM 597 CA PRO A 38 -7.180 2.884 -5.393 1.00 9.08 C ATOM 598 C PRO A 38 -7.634 3.991 -4.464 1.00 9.28 C ATOM 599 O PRO A 38 -7.112 4.087 -3.345 1.00 6.50 O ATOM 600 CB PRO A 38 -6.295 3.407 -6.465 1.00 10.31 C ATOM 601 CG PRO A 38 -6.312 2.247 -7.482 1.00 10.81 C ATOM 602 CD PRO A 38 -7.760 1.669 -7.404 1.00 12.00 C ATOM 0 HA PRO A 38 -6.686 2.209 -4.694 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.677 4.333 -6.895 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.290 3.616 -6.100 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.080 2.599 -8.487 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.570 1.490 -7.230 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.385 2.046 -8.214 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.761 0.582 -7.480 1.00 12.00 H new ATOM 610 N ASP A 39 -8.691 4.827 -4.847 1.00 11.20 N ATOM 611 CA ASP A 39 -9.441 5.698 -4.032 1.00 14.96 C ATOM 612 C ASP A 39 -9.936 5.204 -2.657 1.00 13.99 C ATOM 613 O ASP A 39 -10.039 5.935 -1.679 1.00 13.75 O ATOM 614 CB ASP A 39 -10.719 5.980 -4.859 1.00 24.16 C ATOM 615 CG ASP A 39 -10.330 6.699 -6.163 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.441 7.593 -6.121 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.865 6.246 -7.195 1.00 35.55 O ATOM 0 H ASP A 39 -9.007 4.858 -5.816 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.771 6.523 -3.791 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.234 5.046 -5.084 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.411 6.595 -4.283 1.00 24.16 H new ATOM 622 N GLN A 40 -10.236 3.906 -2.576 1.00 11.60 N ATOM 623 CA GLN A 40 -10.669 3.286 -1.357 1.00 10.76 C ATOM 624 C GLN A 40 -9.510 2.631 -0.553 1.00 8.01 C ATOM 625 O GLN A 40 -9.789 1.873 0.331 1.00 8.96 O ATOM 626 CB GLN A 40 -11.693 2.176 -1.675 1.00 11.14 C ATOM 627 CG GLN A 40 -12.829 2.752 -2.562 1.00 14.85 C ATOM 628 CD GLN A 40 -13.827 1.672 -2.945 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.817 0.633 -2.261 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.686 1.899 -3.977 1.00 18.16 N ATOM 0 H GLN A 40 -10.180 3.266 -3.368 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.100 4.083 -0.751 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.201 1.350 -2.188 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.108 1.775 -0.750 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.342 3.552 -2.027 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.403 3.193 -3.463 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.639 2.775 -4.497 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.377 1.193 -4.230 1.00 18.16 H new ATOM 639 N GLN A 41 -8.228 2.872 -0.876 1.00 6.52 N ATOM 640 CA GLN A 41 -7.092 2.335 -0.220 1.00 3.87 C ATOM 641 C GLN A 41 -6.247 3.393 0.494 1.00 4.79 C ATOM 642 O GLN A 41 -5.774 4.413 -0.069 1.00 6.34 O ATOM 643 CB GLN A 41 -6.146 1.591 -1.152 1.00 4.20 C ATOM 644 CG GLN A 41 -6.768 0.484 -2.041 1.00 3.20 C ATOM 645 CD GLN A 41 -5.737 -0.129 -2.969 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.587 -0.265 -2.545 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.142 -0.387 -4.269 1.00 7.13 N ATOM 0 H GLN A 41 -7.976 3.486 -1.651 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.533 1.646 0.501 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.667 2.322 -1.804 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.359 1.139 -0.548 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.198 -0.293 -1.409 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.584 0.904 -2.629 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.116 -0.248 -4.537 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.466 -0.716 -4.958 1.00 7.13 H new ATOM 656 N ARG A 42 -5.912 3.139 1.784 1.00 5.73 N ATOM 657 CA ARG A 42 -4.882 3.793 2.498 1.00 6.97 C ATOM 658 C ARG A 42 -3.782 2.879 2.910 1.00 7.15 C ATOM 659 O ARG A 42 -3.988 2.003 3.728 1.00 7.33 O ATOM 660 CB ARG A 42 -5.601 4.398 3.758 1.00 13.23 C ATOM 661 CG ARG A 42 -6.399 5.675 3.449 1.00 21.27 C ATOM 662 CD ARG A 42 -7.162 6.261 4.661 1.00 26.14 C ATOM 663 NE ARG A 42 -7.315 7.725 4.487 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.276 8.442 5.039 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.293 7.987 5.771 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.173 9.759 4.964 1.00 36.39 N ATOM 0 H ARG A 42 -6.396 2.437 2.343 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.397 4.544 1.875 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.274 3.650 4.177 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.855 4.620 4.521 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.715 6.432 3.065 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.114 5.459 2.655 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.141 5.790 4.750 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.621 6.048 5.583 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.634 8.210 3.903 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.383 6.987 5.953 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.981 8.638 6.149 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.373 10.182 4.493 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.893 10.351 5.377 1.00 36.39 H new ATOM 680 N LEU A 43 -2.520 3.053 2.303 1.00 4.65 N ATOM 681 CA LEU A 43 -1.383 2.243 2.648 1.00 3.51 C ATOM 682 C LEU A 43 -0.627 3.070 3.760 1.00 5.56 C ATOM 683 O LEU A 43 -0.012 4.103 3.590 1.00 4.19 O ATOM 684 CB LEU A 43 -0.483 1.971 1.453 1.00 3.74 C ATOM 685 CG LEU A 43 -1.308 1.361 0.342 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.512 1.322 -0.943 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.747 -0.018 0.706 1.00 6.41 C ATOM 0 H LEU A 43 -2.329 3.755 1.588 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.687 1.256 2.997 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.020 2.897 1.113 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.325 1.296 1.736 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.192 1.982 0.196 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.119 0.880 -1.734 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.229 2.336 -1.226 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.386 0.722 -0.797 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.339 -0.438 -0.107 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.872 -0.645 0.879 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.351 0.020 1.612 1.00 6.41 H new ATOM 699 N ILE A 44 -0.664 2.502 4.984 1.00 4.58 N ATOM 700 CA ILE A 44 -0.128 3.060 6.186 1.00 5.55 C ATOM 701 C ILE A 44 1.052 2.272 6.745 1.00 5.46 C ATOM 702 O ILE A 44 0.995 1.043 6.854 1.00 6.04 O ATOM 703 CB ILE A 44 -1.051 3.313 7.311 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.427 3.581 6.718 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.438 4.397 8.205 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.569 3.745 7.747 1.00 13.90 C ATOM 0 H ILE A 44 -1.098 1.592 5.139 1.00 4.58 H new ATOM 0 HA ILE A 44 0.172 4.036 5.805 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.194 2.468 7.985 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.373 4.485 6.112 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.681 2.761 6.046 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.106 4.598 9.043 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.525 4.055 8.583 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.297 5.310 7.626 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.506 3.932 7.223 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.659 2.834 8.338 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.347 4.585 8.406 1.00 13.90 H new ATOM 718 N PHE A 45 2.191 2.949 7.004 1.00 6.75 N ATOM 719 CA PHE A 45 3.438 2.437 7.444 1.00 4.70 C ATOM 720 C PHE A 45 4.114 3.503 8.298 1.00 6.34 C ATOM 721 O PHE A 45 4.044 4.664 7.973 1.00 5.45 O ATOM 722 CB PHE A 45 4.295 2.081 6.227 1.00 5.51 C ATOM 723 CG PHE A 45 5.610 1.432 6.618 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.684 0.147 7.125 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.705 2.301 6.381 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.993 -0.321 7.313 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.940 1.687 6.507 1.00 6.64 C ATOM 728 CZ PHE A 45 8.140 0.409 6.937 1.00 6.84 C ATOM 0 H PHE A 45 2.228 3.962 6.889 1.00 6.75 H new ATOM 0 HA PHE A 45 3.303 1.534 8.039 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.738 1.405 5.578 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.495 2.984 5.650 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.810 -0.444 7.356 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.587 3.344 6.126 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.130 -1.290 7.769 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.813 2.266 6.244 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.128 -0.024 6.987 1.00 6.84 H new ATOM 738 N ALA A 46 4.617 3.105 9.484 1.00 6.53 N ATOM 739 CA ALA A 46 5.398 3.943 10.375 1.00 7.15 C ATOM 740 C ALA A 46 4.701 5.209 10.815 1.00 9.00 C ATOM 741 O ALA A 46 5.255 6.283 11.131 1.00 11.15 O ATOM 742 CB ALA A 46 6.764 4.196 9.756 1.00 8.99 C ATOM 0 H ALA A 46 4.479 2.161 9.846 1.00 6.53 H new ATOM 0 HA ALA A 46 5.528 3.396 11.309 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.354 4.825 10.422 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.277 3.246 9.605 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.641 4.698 8.796 1.00 8.99 H new ATOM 748 N GLY A 47 3.359 5.110 10.923 1.00 9.35 N ATOM 749 CA GLY A 47 2.423 6.174 11.175 1.00 11.68 C ATOM 750 C GLY A 47 2.047 7.166 10.075 1.00 11.14 C ATOM 751 O GLY A 47 1.182 8.020 10.335 1.00 13.93 O ATOM 0 H GLY A 47 2.889 4.210 10.826 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.498 5.711 11.518 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.817 6.755 12.009 1.00 11.68 H new ATOM 755 N LYS A 48 2.554 6.948 8.874 1.00 10.47 N ATOM 756 CA LYS A 48 2.339 7.761 7.680 1.00 8.82 C ATOM 757 C LYS A 48 1.462 7.069 6.670 1.00 7.68 C ATOM 758 O LYS A 48 1.685 5.926 6.263 1.00 6.47 O ATOM 759 CB LYS A 48 3.768 8.028 7.121 1.00 9.74 C ATOM 760 CG LYS A 48 4.637 9.025 7.999 1.00 14.14 C ATOM 761 CD LYS A 48 6.039 9.216 7.413 1.00 16.32 C ATOM 762 CE LYS A 48 6.933 10.211 8.303 1.00 20.04 C ATOM 763 NZ LYS A 48 7.488 9.679 9.528 1.00 23.92 N ATOM 0 H LYS A 48 3.164 6.152 8.691 1.00 10.47 H new ATOM 0 HA LYS A 48 1.811 8.686 7.912 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.297 7.078 7.040 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.681 8.432 6.112 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.133 9.990 8.061 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.716 8.641 9.016 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.536 8.249 7.340 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.958 9.610 6.400 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.757 10.569 7.686 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.324 11.079 8.556 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.042 10.417 10.008 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.717 9.365 10.151 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.105 8.872 9.308 1.00 23.92 H new ATOM 777 N GLN A 49 0.381 7.805 6.223 1.00 8.89 N ATOM 778 CA GLN A 49 -0.521 7.393 5.212 1.00 7.18 C ATOM 779 C GLN A 49 0.072 7.887 3.913 1.00 8.23 C ATOM 780 O GLN A 49 -0.425 8.843 3.273 1.00 9.70 O ATOM 781 CB GLN A 49 -1.867 8.070 5.395 1.00 11.67 C ATOM 782 CG GLN A 49 -2.583 7.694 6.719 1.00 15.82 C ATOM 783 CD GLN A 49 -3.891 8.413 6.871 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.994 7.824 6.792 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.888 9.750 6.966 1.00 20.67 N ATOM 0 H GLN A 49 0.154 8.723 6.604 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.666 6.313 5.238 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.727 9.150 5.363 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.512 7.807 4.557 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.755 6.618 6.746 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.936 7.935 7.563 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.004 10.255 7.032 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.770 10.263 6.973 1.00 20.67 H new ATOM 794 N LEU A 50 1.134 7.264 3.515 1.00 6.51 N ATOM 795 CA LEU A 50 1.875 7.287 2.305 1.00 7.41 C ATOM 796 C LEU A 50 1.152 7.878 1.102 1.00 8.27 C ATOM 797 O LEU A 50 0.111 7.418 0.693 1.00 8.34 O ATOM 798 CB LEU A 50 2.375 5.833 1.911 1.00 7.13 C ATOM 799 CG LEU A 50 3.036 5.033 3.046 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.199 3.570 2.587 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.306 5.659 3.693 1.00 9.11 C ATOM 0 H LEU A 50 1.574 6.608 4.160 1.00 6.51 H new ATOM 0 HA LEU A 50 2.708 7.952 2.532 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.524 5.264 1.536 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.086 5.922 1.090 1.00 7.13 H new ATOM 0 HG LEU A 50 2.359 5.069 3.900 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.667 2.989 3.382 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.220 3.149 2.358 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.826 3.536 1.696 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.677 5.000 4.478 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.077 5.786 2.933 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.055 6.629 4.122 1.00 9.11 H new ATOM 813 N GLU A 51 1.736 8.935 0.548 1.00 9.43 N ATOM 814 CA GLU A 51 1.358 9.704 -0.626 1.00 11.90 C ATOM 815 C GLU A 51 1.511 8.889 -1.909 1.00 11.49 C ATOM 816 O GLU A 51 2.513 8.250 -2.164 1.00 9.88 O ATOM 817 CB GLU A 51 2.126 11.013 -0.829 1.00 16.56 C ATOM 818 CG GLU A 51 1.735 12.106 0.196 1.00 26.06 C ATOM 819 CD GLU A 51 2.544 13.332 0.127 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.406 13.429 -0.749 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.341 14.207 0.953 1.00 32.13 O ATOM 0 H GLU A 51 2.586 9.316 0.963 1.00 9.43 H new ATOM 0 HA GLU A 51 0.316 9.955 -0.427 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.195 10.817 -0.753 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.941 11.384 -1.837 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.688 12.369 0.044 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.817 11.689 1.200 1.00 26.06 H new ATOM 828 N ASP A 52 0.530 8.938 -2.773 1.00 12.71 N ATOM 829 CA ASP A 52 0.269 8.205 -3.955 1.00 16.56 C ATOM 830 C ASP A 52 1.430 8.317 -4.991 1.00 15.83 C ATOM 831 O ASP A 52 1.780 7.332 -5.655 1.00 17.21 O ATOM 832 CB ASP A 52 -1.072 8.842 -4.577 1.00 21.05 C ATOM 833 CG ASP A 52 -2.278 8.590 -3.744 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.552 7.410 -3.389 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.854 9.648 -3.279 1.00 25.82 O ATOM 0 H ASP A 52 -0.220 9.612 -2.620 1.00 12.71 H new ATOM 0 HA ASP A 52 0.166 7.145 -3.723 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.936 9.917 -4.693 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.234 8.431 -5.574 1.00 21.05 H new ATOM 840 N GLY A 53 1.910 9.582 -5.217 1.00 15.00 N ATOM 841 CA GLY A 53 2.888 9.939 -6.308 1.00 11.77 C ATOM 842 C GLY A 53 4.332 9.649 -5.849 1.00 11.10 C ATOM 843 O GLY A 53 5.248 9.642 -6.694 1.00 11.25 O ATOM 0 H GLY A 53 1.632 10.383 -4.651 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.664 9.367 -7.208 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.786 10.993 -6.566 1.00 11.77 H new ATOM 847 N ARG A 54 4.514 9.246 -4.575 1.00 8.53 N ATOM 848 CA ARG A 54 5.837 9.010 -4.070 1.00 9.05 C ATOM 849 C ARG A 54 6.217 7.566 -4.216 1.00 8.96 C ATOM 850 O ARG A 54 5.297 6.736 -4.390 1.00 11.60 O ATOM 851 CB ARG A 54 6.042 9.383 -2.581 1.00 7.97 C ATOM 852 CG ARG A 54 5.725 10.880 -2.164 1.00 9.62 C ATOM 853 CD ARG A 54 6.189 11.327 -0.798 1.00 12.20 C ATOM 854 NE ARG A 54 6.203 12.829 -0.852 1.00 18.23 N ATOM 855 CZ ARG A 54 7.278 13.562 -1.057 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.531 13.128 -1.122 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.122 14.860 -1.279 1.00 23.38 N ATOM 0 H ARG A 54 3.762 9.086 -3.905 1.00 8.53 H new ATOM 0 HA ARG A 54 6.467 9.665 -4.672 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.418 8.724 -1.978 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.078 9.170 -2.318 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.174 11.540 -2.906 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.646 11.025 -2.219 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.517 10.968 -0.018 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.180 10.933 -0.571 1.00 12.20 H new ATOM 0 HE ARG A 54 5.316 13.316 -0.720 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.733 12.135 -1.008 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.291 13.788 -1.286 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.187 15.267 -1.288 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.937 15.451 -1.441 1.00 23.38 H new ATOM 871 N THR A 55 7.489 7.189 -4.038 1.00 9.05 N ATOM 872 CA THR A 55 8.000 5.838 -4.203 1.00 9.03 C ATOM 873 C THR A 55 8.217 5.108 -2.880 1.00 8.15 C ATOM 874 O THR A 55 8.325 5.666 -1.798 1.00 5.91 O ATOM 875 CB THR A 55 9.211 5.700 -5.117 1.00 11.15 C ATOM 876 OG1 THR A 55 10.343 6.404 -4.682 1.00 11.95 O ATOM 877 CG2 THR A 55 8.888 6.184 -6.547 1.00 11.71 C ATOM 0 H THR A 55 8.215 7.851 -3.763 1.00 9.05 H new ATOM 0 HA THR A 55 7.188 5.338 -4.730 1.00 9.03 H new ATOM 0 HB THR A 55 9.442 4.635 -5.098 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.132 5.826 -4.744 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.771 6.074 -7.177 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.073 5.588 -6.957 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.592 7.233 -6.518 1.00 11.71 H new ATOM 885 N LEU A 56 8.376 3.778 -2.973 1.00 6.91 N ATOM 886 CA LEU A 56 8.738 2.938 -1.805 1.00 8.29 C ATOM 887 C LEU A 56 10.176 3.237 -1.280 1.00 8.05 C ATOM 888 O LEU A 56 10.291 3.314 -0.065 1.00 10.17 O ATOM 889 CB LEU A 56 8.742 1.481 -2.226 1.00 6.60 C ATOM 890 CG LEU A 56 7.452 0.961 -2.777 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.518 -0.422 -3.406 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.327 0.960 -1.701 1.00 8.64 C ATOM 0 H LEU A 56 8.261 3.256 -3.841 1.00 6.91 H new ATOM 0 HA LEU A 56 8.009 3.155 -1.025 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.519 1.341 -2.977 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.019 0.874 -1.364 1.00 6.60 H new ATOM 0 HG LEU A 56 7.224 1.661 -3.581 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.531 -0.702 -3.773 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.224 -0.411 -4.236 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.847 -1.146 -2.660 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.405 0.576 -2.138 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.624 0.326 -0.865 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.163 1.977 -1.345 1.00 8.64 H new ATOM 904 N SER A 57 11.132 3.481 -2.226 1.00 8.92 N ATOM 905 CA SER A 57 12.463 4.009 -1.930 1.00 9.00 C ATOM 906 C SER A 57 12.479 5.327 -1.111 1.00 9.44 C ATOM 907 O SER A 57 13.304 5.525 -0.242 1.00 10.91 O ATOM 908 CB SER A 57 13.335 4.293 -3.256 1.00 10.32 C ATOM 909 OG SER A 57 12.544 5.004 -4.177 1.00 13.59 O ATOM 0 H SER A 57 10.980 3.309 -3.220 1.00 8.92 H new ATOM 0 HA SER A 57 12.896 3.208 -1.331 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.228 4.866 -3.005 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.672 3.354 -3.694 1.00 10.32 H new ATOM 0 HG SER A 57 13.066 5.183 -4.987 1.00 13.59 H new ATOM 915 N ASP A 58 11.501 6.230 -1.344 1.00 9.11 N ATOM 916 CA ASP A 58 11.429 7.584 -0.758 1.00 7.91 C ATOM 917 C ASP A 58 10.818 7.634 0.677 1.00 9.12 C ATOM 918 O ASP A 58 11.152 8.504 1.509 1.00 8.61 O ATOM 919 CB ASP A 58 10.464 8.461 -1.678 1.00 8.41 C ATOM 920 CG ASP A 58 10.477 9.932 -1.355 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.581 10.526 -1.556 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.420 10.478 -0.937 1.00 11.70 O ATOM 0 H ASP A 58 10.717 6.029 -1.964 1.00 9.11 H new ATOM 0 HA ASP A 58 12.455 7.947 -0.700 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.752 8.326 -2.721 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.445 8.087 -1.578 1.00 8.41 H new ATOM 927 N TYR A 59 10.052 6.622 1.089 1.00 7.97 N ATOM 928 CA TYR A 59 9.566 6.458 2.483 1.00 8.45 C ATOM 929 C TYR A 59 10.298 5.264 3.175 1.00 10.98 C ATOM 930 O TYR A 59 9.916 4.883 4.245 1.00 12.95 O ATOM 931 CB TYR A 59 8.054 6.045 2.469 1.00 7.94 C ATOM 932 CG TYR A 59 7.148 7.202 2.196 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.008 8.225 3.126 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.292 7.196 1.041 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.972 9.115 3.014 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.302 8.152 0.914 1.00 6.52 C ATOM 937 CZ TYR A 59 5.103 9.085 1.928 1.00 6.76 C ATOM 938 OH TYR A 59 4.174 10.120 1.779 1.00 7.63 O ATOM 0 H TYR A 59 9.741 5.878 0.465 1.00 7.97 H new ATOM 0 HA TYR A 59 9.740 7.401 3.001 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.897 5.278 1.711 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.793 5.602 3.430 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.715 8.319 3.937 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.422 6.446 0.275 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.827 9.856 3.786 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.683 8.175 0.029 1.00 6.52 H new ATOM 0 HH TYR A 59 4.540 10.945 2.160 1.00 7.63 H new ATOM 948 N ASN A 60 11.421 4.759 2.607 1.00 12.38 N ATOM 949 CA ASN A 60 12.230 3.748 3.254 1.00 13.94 C ATOM 950 C ASN A 60 11.634 2.357 3.476 1.00 14.16 C ATOM 951 O ASN A 60 11.939 1.625 4.403 1.00 14.26 O ATOM 952 CB ASN A 60 12.917 4.274 4.544 1.00 19.23 C ATOM 953 CG ASN A 60 13.791 5.429 4.214 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.334 6.585 4.343 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.026 5.139 3.671 1.00 24.09 N ATOM 0 H ASN A 60 11.772 5.051 1.695 1.00 12.38 H new ATOM 0 HA ASN A 60 12.973 3.561 2.478 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.163 4.573 5.272 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.506 3.480 5.003 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.629 5.894 3.344 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.336 4.170 3.596 1.00 24.09 H new ATOM 962 N ILE A 61 10.869 1.891 2.486 1.00 11.08 N ATOM 963 CA ILE A 61 10.171 0.643 2.587 1.00 11.78 C ATOM 964 C ILE A 61 11.043 -0.422 1.914 1.00 13.74 C ATOM 965 O ILE A 61 10.908 -0.793 0.743 1.00 14.60 O ATOM 966 CB ILE A 61 8.774 0.682 1.967 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.987 1.930 2.511 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.062 -0.655 2.382 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.795 2.354 1.572 1.00 11.42 C ATOM 0 H ILE A 61 10.727 2.379 1.602 1.00 11.08 H new ATOM 0 HA ILE A 61 10.007 0.412 3.640 1.00 11.78 H new ATOM 0 HB ILE A 61 8.817 0.771 0.881 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.599 1.705 3.504 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.675 2.769 2.620 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.056 -0.677 1.963 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.632 -1.503 2.003 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.003 -0.714 3.469 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.288 3.220 1.997 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.182 2.608 0.585 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.090 1.528 1.484 1.00 11.42 H new ATOM 981 N GLN A 62 11.973 -0.902 2.687 1.00 13.97 N ATOM 982 CA GLN A 62 12.730 -2.147 2.415 1.00 15.52 C ATOM 983 C GLN A 62 11.951 -3.426 2.131 1.00 13.94 C ATOM 984 O GLN A 62 10.764 -3.490 2.389 1.00 12.15 O ATOM 985 CB GLN A 62 13.795 -2.354 3.532 1.00 19.53 C ATOM 986 CG GLN A 62 14.797 -1.159 3.765 1.00 26.38 C ATOM 987 CD GLN A 62 15.636 -1.417 5.029 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.073 -1.655 6.109 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.955 -1.322 5.011 1.00 32.71 N ATOM 0 H GLN A 62 12.254 -0.445 3.555 1.00 13.97 H new ATOM 0 HA GLN A 62 13.190 -1.967 1.443 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.275 -2.553 4.469 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.374 -3.246 3.293 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.451 -1.048 2.900 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.245 -0.225 3.869 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.440 -1.127 4.135 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.487 -1.444 5.873 1.00 32.71 H new ATOM 998 N LYS A 63 12.672 -4.443 1.657 1.00 11.73 N ATOM 999 CA LYS A 63 12.184 -5.767 1.479 1.00 11.97 C ATOM 1000 C LYS A 63 11.682 -6.420 2.777 1.00 10.41 C ATOM 1001 O LYS A 63 12.166 -6.189 3.914 1.00 9.59 O ATOM 1002 CB LYS A 63 13.319 -6.667 0.899 1.00 13.73 C ATOM 1003 CG LYS A 63 14.658 -6.641 1.650 1.00 16.98 C ATOM 1004 CD LYS A 63 15.599 -7.783 1.159 1.00 20.19 C ATOM 1005 CE LYS A 63 15.986 -7.576 -0.276 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.687 -8.745 -0.925 1.00 25.97 N ATOM 0 H LYS A 63 13.649 -4.339 1.382 1.00 11.73 H new ATOM 0 HA LYS A 63 11.337 -5.687 0.798 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.961 -7.696 0.874 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.500 -6.367 -0.133 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.143 -5.676 1.501 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.480 -6.747 2.720 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.494 -7.815 1.780 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.099 -8.745 1.270 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.087 -7.347 -0.849 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.635 -6.703 -0.339 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.914 -8.509 -1.912 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.565 -8.954 -0.408 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.065 -9.579 -0.903 1.00 25.97 H new ATOM 1020 N GLU A 64 10.651 -7.251 2.671 1.00 10.04 N ATOM 1021 CA GLU A 64 9.960 -7.971 3.742 1.00 10.94 C ATOM 1022 C GLU A 64 9.256 -7.070 4.847 1.00 9.74 C ATOM 1023 O GLU A 64 8.746 -7.546 5.916 1.00 9.42 O ATOM 1024 CB GLU A 64 10.779 -9.161 4.361 1.00 18.31 C ATOM 1025 CG GLU A 64 11.366 -10.086 3.307 1.00 24.16 C ATOM 1026 CD GLU A 64 11.764 -11.404 3.896 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.339 -11.408 5.000 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.521 -12.488 3.310 1.00 32.61 O ATOM 0 H GLU A 64 10.241 -7.457 1.760 1.00 10.04 H new ATOM 0 HA GLU A 64 9.129 -8.426 3.203 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.585 -8.760 4.975 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.131 -9.736 5.022 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.636 -10.246 2.514 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.235 -9.613 2.849 1.00 24.16 H new ATOM 1035 N SER A 65 9.077 -5.778 4.580 1.00 6.85 N ATOM 1036 CA SER A 65 8.287 -4.820 5.334 1.00 6.90 C ATOM 1037 C SER A 65 6.817 -5.254 5.380 1.00 4.72 C ATOM 1038 O SER A 65 6.343 -5.819 4.395 1.00 3.91 O ATOM 1039 CB SER A 65 8.340 -3.362 4.793 1.00 7.28 C ATOM 1040 OG SER A 65 9.660 -2.843 4.897 1.00 10.56 O ATOM 0 H SER A 65 9.516 -5.345 3.767 1.00 6.85 H new ATOM 0 HA SER A 65 8.738 -4.813 6.326 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.015 -3.341 3.753 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.650 -2.733 5.355 1.00 7.28 H new ATOM 0 HG SER A 65 10.151 -3.031 4.070 1.00 10.56 H new ATOM 1046 N THR A 66 6.117 -4.988 6.527 1.00 4.48 N ATOM 1047 CA THR A 66 4.663 -5.144 6.753 1.00 3.80 C ATOM 1048 C THR A 66 4.077 -3.813 6.711 1.00 4.60 C ATOM 1049 O THR A 66 4.436 -2.912 7.477 1.00 5.33 O ATOM 1050 CB THR A 66 4.323 -5.741 8.093 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.009 -6.950 8.260 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.867 -6.102 8.153 1.00 3.40 C ATOM 0 H THR A 66 6.591 -4.639 7.360 1.00 4.48 H new ATOM 0 HA THR A 66 4.280 -5.819 5.987 1.00 3.80 H new ATOM 0 HB THR A 66 4.587 -5.005 8.853 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.787 -7.334 9.134 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.639 -6.532 9.128 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.264 -5.207 8.001 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.640 -6.829 7.374 1.00 3.40 H new ATOM 1060 N LEU A 67 3.033 -3.579 5.946 1.00 4.17 N ATOM 1061 CA LEU A 67 2.323 -2.283 5.881 1.00 3.85 C ATOM 1062 C LEU A 67 0.818 -2.538 6.102 1.00 3.80 C ATOM 1063 O LEU A 67 0.397 -3.694 6.026 1.00 5.54 O ATOM 1064 CB LEU A 67 2.413 -1.514 4.531 1.00 7.18 C ATOM 1065 CG LEU A 67 3.819 -1.158 3.920 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.440 -2.402 3.267 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.708 -0.015 2.859 1.00 11.66 C ATOM 0 H LEU A 67 2.632 -4.288 5.332 1.00 4.17 H new ATOM 0 HA LEU A 67 2.812 -1.672 6.640 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.876 -2.102 3.787 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.867 -0.579 4.654 1.00 7.18 H new ATOM 0 HG LEU A 67 4.456 -0.811 4.734 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.413 -2.145 2.847 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.563 -3.183 4.017 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.785 -2.761 2.473 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.697 0.206 2.457 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.050 -0.332 2.050 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.299 0.879 3.329 1.00 11.66 H new ATOM 1079 N HIS A 68 0.062 -1.483 6.470 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.306 -1.591 6.880 1.00 4.17 C ATOM 1081 C HIS A 68 -2.158 -1.049 5.756 1.00 5.32 C ATOM 1082 O HIS A 68 -1.959 0.070 5.276 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.692 -0.702 8.093 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.714 -0.973 9.232 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.579 -0.494 9.327 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.930 -1.749 10.342 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.099 -0.946 10.531 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.208 -1.774 11.127 1.00 16.30 N ATOM 0 H HIS A 68 0.415 -0.526 6.482 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.455 -2.639 7.139 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.663 0.351 7.813 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.712 -0.920 8.411 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.061 0.085 8.639 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.852 -2.264 10.569 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.066 -0.679 10.932 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.155 -1.823 5.319 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.262 -1.404 4.444 1.00 3.97 C ATOM 1098 C LEU A 69 -5.503 -1.163 5.272 1.00 5.07 C ATOM 1099 O LEU A 69 -6.070 -2.052 5.911 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.479 -2.440 3.260 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.751 -2.264 2.378 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.813 -0.884 1.754 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.786 -3.314 1.209 1.00 9.96 C ATOM 0 H LEU A 69 -3.219 -2.808 5.576 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.012 -0.459 3.962 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.607 -2.393 2.607 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.502 -3.442 3.689 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.602 -2.410 3.044 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.714 -0.800 1.146 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.834 -0.130 2.541 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.936 -0.729 1.126 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.686 -3.164 0.612 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.907 -3.185 0.578 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.790 -4.322 1.625 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.960 0.121 5.214 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.170 0.594 5.859 1.00 6.26 C ATOM 1117 C VAL A 70 -8.106 1.046 4.692 1.00 9.22 C ATOM 1118 O VAL A 70 -7.653 1.564 3.674 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.986 1.790 6.766 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.255 2.345 7.298 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.050 1.329 7.937 1.00 8.54 C ATOM 0 H VAL A 70 -5.470 0.853 4.701 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.550 -0.210 6.490 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.550 2.604 6.187 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.038 3.199 7.939 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.888 2.664 6.470 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.773 1.580 7.876 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.887 2.161 8.621 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.518 0.504 8.474 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.093 1.001 7.530 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.358 0.542 4.703 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.255 0.810 3.617 1.00 16.06 C ATOM 1133 C LEU A 71 -10.894 2.242 3.778 1.00 18.09 C ATOM 1134 O LEU A 71 -10.924 2.821 4.860 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.333 -0.359 3.558 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.671 -1.763 3.434 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.758 -2.844 3.550 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.009 -1.895 2.020 1.00 19.57 C ATOM 0 H LEU A 71 -9.743 -0.039 5.448 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.725 0.825 2.664 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.950 -0.328 4.456 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.997 -0.196 2.709 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.925 -1.883 4.220 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.301 -3.830 3.464 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.255 -2.758 4.516 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.489 -2.712 2.752 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.543 -2.876 1.926 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.771 -1.780 1.249 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.251 -1.121 1.899 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.365 2.844 2.654 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.885 4.170 2.674 1.00 25.83 C ATOM 1152 C ARG A 72 -13.111 4.312 1.759 1.00 27.74 C ATOM 1153 O ARG A 72 -13.225 3.636 0.720 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.760 5.087 2.149 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.972 6.585 2.386 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.869 7.343 1.774 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.043 8.745 2.052 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.272 9.658 1.464 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.217 9.324 0.683 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.563 10.937 1.550 1.00 35.02 N ATOM 0 H ARG A 72 -11.380 2.401 1.736 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.200 4.430 3.685 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.823 4.791 2.620 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.646 4.918 1.078 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.924 6.900 1.959 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.019 6.791 3.455 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.913 6.998 2.168 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.850 7.174 0.697 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.766 9.043 2.707 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.988 8.342 0.527 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.651 10.054 0.251 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.386 11.239 2.071 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.965 11.628 1.096 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.008 5.240 2.171 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.119 5.615 1.327 1.00 30.76 C ATOM 1176 C LEU A 73 -14.777 6.741 0.405 1.00 32.18 C ATOM 1177 O LEU A 73 -13.802 7.457 0.525 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.306 6.069 2.260 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.844 5.137 3.355 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.884 5.800 4.248 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.445 3.909 2.612 1.00 29.11 C ATOM 0 H LEU A 73 -13.968 5.723 3.069 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.388 4.756 0.712 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.994 6.992 2.749 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.145 6.320 1.612 1.00 30.53 H new ATOM 0 HG LEU A 73 -16.038 4.853 4.032 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.224 5.089 5.001 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.442 6.666 4.741 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.732 6.121 3.643 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.847 3.204 3.340 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.244 4.240 1.948 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.666 3.421 2.026 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.571 7.035 -0.647 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.413 8.239 -1.469 1.00 35.33 C ATOM 1195 C ARG A 74 -15.640 9.596 -0.721 1.00 36.22 C ATOM 1196 O ARG A 74 -14.973 10.609 -0.923 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.157 8.206 -2.816 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.448 7.199 -3.761 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.011 7.115 -5.216 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.546 5.813 -5.825 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.405 5.569 -6.450 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.533 6.543 -6.711 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.096 4.341 -6.961 1.00 41.93 N ATOM 0 H ARG A 74 -16.341 6.437 -0.946 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.349 8.204 -1.705 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.196 7.913 -2.665 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.168 9.199 -3.264 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -14.392 7.464 -3.816 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -15.505 6.207 -3.312 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.100 7.163 -5.206 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.660 7.959 -5.809 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.190 5.026 -5.745 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.739 7.501 -6.428 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.660 6.330 -7.194 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.756 3.569 -6.868 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.205 4.196 -7.436 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.643 9.631 0.134 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.092 10.842 0.809 1.00 36.07 C ATOM 1219 C GLY A 75 -16.175 11.273 1.962 1.00 36.16 C ATOM 1220 O GLY A 75 -16.376 12.254 2.675 1.00 36.26 O ATOM 0 H GLY A 75 -17.183 8.803 0.387 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.155 11.652 0.082 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.098 10.682 1.196 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.173 10.522 2.286 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.261 10.780 3.393 1.00 36.19 C ATOM 1226 C GLY A 76 -12.885 10.249 3.050 1.00 36.20 C ATOM 1227 O GLY A 76 -12.478 9.181 3.674 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.150 10.769 2.169 1.00 0.00 O ATOM 0 H GLY A 76 -14.943 9.670 1.774 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.210 11.850 3.594 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.630 10.303 4.301 1.00 36.19 H new TER 1232 GLY A 76