USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 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 7 THR OG1 : rot -170:sc= 0.288 USER MOD Set 1.2: A 9 THR OG1 : rot -63:sc= -0.176 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.173 (180deg=-1.21) USER MOD Single : A 2 GLN : amide:sc= -5.91! C(o=-5.9!,f=-1.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 14 THR OG1 : rot -93:sc= 1.44 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= -2.05 (180deg=-2.15) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc=-0.00247 (180deg=-0.43) USER MOD Single : A 31 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.907 K(o=0.91,f=-0.41) USER MOD Single : A 41 GLN : amide:sc= -2.51! C(o=-2.5!,f=-6.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.23) 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 165:sc= -0.1 USER MOD Single : A 60 ASN : amide:sc= -4.54! C(o=-4.5!,f=-2.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= -0.291 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 77.943 -17.197 6.737 1.00 0.00 N ATOM 2 CA MET A 1 76.606 -16.750 6.255 1.00 0.00 C ATOM 3 C MET A 1 76.712 -15.330 5.711 1.00 0.00 C ATOM 4 O MET A 1 76.646 -14.360 6.466 1.00 0.00 O ATOM 5 CB MET A 1 75.609 -16.791 7.415 1.00 0.00 C ATOM 6 CG MET A 1 75.538 -18.209 7.981 1.00 0.00 C ATOM 7 SD MET A 1 74.595 -18.196 9.525 1.00 0.00 S ATOM 8 CE MET A 1 76.007 -18.078 10.652 1.00 0.00 C ATOM 0 H1 MET A 1 78.005 -18.233 6.676 1.00 0.00 H new ATOM 0 H2 MET A 1 78.685 -16.770 6.147 1.00 0.00 H new ATOM 0 H3 MET A 1 78.073 -16.900 7.725 1.00 0.00 H new ATOM 0 HA MET A 1 76.261 -17.412 5.461 1.00 0.00 H new ATOM 0 HB2 MET A 1 75.914 -16.092 8.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 74.624 -16.476 7.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 75.066 -18.877 7.260 1.00 0.00 H new ATOM 0 HG3 MET A 1 76.543 -18.591 8.159 1.00 0.00 H new ATOM 0 HE1 MET A 1 75.650 -18.055 11.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 76.657 -18.942 10.512 1.00 0.00 H new ATOM 0 HE3 MET A 1 76.565 -17.166 10.441 1.00 0.00 H new ATOM 20 N GLN A 2 76.876 -15.218 4.396 1.00 0.00 N ATOM 21 CA GLN A 2 76.989 -13.912 3.751 1.00 0.00 C ATOM 22 C GLN A 2 76.025 -13.817 2.573 1.00 0.00 C ATOM 23 O GLN A 2 75.921 -14.746 1.772 1.00 0.00 O ATOM 24 CB GLN A 2 78.421 -13.688 3.259 1.00 0.00 C ATOM 25 CG GLN A 2 79.368 -14.662 3.963 1.00 0.00 C ATOM 26 CD GLN A 2 79.204 -16.064 3.386 1.00 0.00 C ATOM 27 OE1 GLN A 2 79.884 -16.996 3.815 1.00 0.00 O ATOM 28 NE2 GLN A 2 78.334 -16.271 2.435 1.00 0.00 N ATOM 0 H GLN A 2 76.934 -16.012 3.758 1.00 0.00 H new ATOM 0 HA GLN A 2 76.736 -13.144 4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 2 78.472 -13.833 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 2 78.727 -12.661 3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 2 80.399 -14.329 3.843 1.00 0.00 H new ATOM 0 HG3 GLN A 2 79.160 -14.674 5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 2 77.772 -15.497 2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 2 78.217 -17.207 2.046 1.00 0.00 H new ATOM 37 N ILE A 3 75.339 -12.682 2.461 1.00 0.00 N ATOM 38 CA ILE A 3 74.384 -12.479 1.375 1.00 0.00 C ATOM 39 C ILE A 3 74.960 -11.481 0.379 1.00 0.00 C ATOM 40 O ILE A 3 76.013 -10.893 0.629 1.00 0.00 O ATOM 41 CB ILE A 3 73.066 -11.922 1.923 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.346 -10.731 2.843 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.331 -13.003 2.715 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.202 -9.724 2.718 1.00 0.00 C ATOM 0 H ILE A 3 75.425 -11.895 3.104 1.00 0.00 H new ATOM 0 HA ILE A 3 74.197 -13.436 0.888 1.00 0.00 H new ATOM 0 HB ILE A 3 72.448 -11.600 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.440 -11.067 3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.292 -10.261 2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.395 -12.598 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.119 -13.850 2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.954 -13.332 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.394 -8.872 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 3 72.130 -9.381 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.265 -10.200 3.008 1.00 0.00 H new ATOM 56 N PHE A 4 74.285 -11.307 -0.752 1.00 0.00 N ATOM 57 CA PHE A 4 74.766 -10.390 -1.783 1.00 0.00 C ATOM 58 C PHE A 4 73.798 -9.234 -2.000 1.00 0.00 C ATOM 59 O PHE A 4 72.585 -9.422 -2.021 1.00 0.00 O ATOM 60 CB PHE A 4 74.946 -11.156 -3.095 1.00 0.00 C ATOM 61 CG PHE A 4 76.045 -12.178 -2.923 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.721 -13.522 -2.710 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.386 -11.779 -2.965 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.738 -14.470 -2.539 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.403 -12.727 -2.794 1.00 0.00 C ATOM 66 CZ PHE A 4 78.079 -14.072 -2.582 1.00 0.00 C ATOM 0 H PHE A 4 73.412 -11.783 -0.979 1.00 0.00 H new ATOM 0 HA PHE A 4 75.718 -9.975 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.014 -11.649 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.196 -10.467 -3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.686 -13.829 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.636 -10.741 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.487 -15.507 -2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.438 -12.420 -2.826 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.864 -14.803 -2.452 1.00 0.00 H new ATOM 76 N VAL A 5 74.353 -8.037 -2.173 1.00 0.00 N ATOM 77 CA VAL A 5 73.543 -6.848 -2.411 1.00 0.00 C ATOM 78 C VAL A 5 74.003 -6.165 -3.696 1.00 0.00 C ATOM 79 O VAL A 5 75.129 -5.676 -3.779 1.00 0.00 O ATOM 80 CB VAL A 5 73.661 -5.882 -1.231 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.786 -4.654 -1.484 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.197 -6.582 0.050 1.00 0.00 C ATOM 0 H VAL A 5 75.358 -7.866 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 5 72.499 -7.143 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 5 74.700 -5.571 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.871 -3.967 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.115 -4.154 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.747 -4.964 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.281 -5.894 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.159 -6.894 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.821 -7.457 0.233 1.00 0.00 H new ATOM 92 N LYS A 6 73.134 -6.149 -4.702 1.00 0.00 N ATOM 93 CA LYS A 6 73.477 -5.536 -5.982 1.00 0.00 C ATOM 94 C LYS A 6 72.932 -4.115 -6.073 1.00 0.00 C ATOM 95 O LYS A 6 71.755 -3.872 -5.806 1.00 0.00 O ATOM 96 CB LYS A 6 72.908 -6.373 -7.131 1.00 0.00 C ATOM 97 CG LYS A 6 73.444 -7.803 -7.045 1.00 0.00 C ATOM 98 CD LYS A 6 74.484 -8.030 -8.146 1.00 0.00 C ATOM 99 CE LYS A 6 73.794 -8.066 -9.512 1.00 0.00 C ATOM 100 NZ LYS A 6 74.448 -7.086 -10.423 1.00 0.00 N ATOM 0 H LYS A 6 72.197 -6.549 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 6 74.564 -5.497 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.819 -6.380 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 6 73.183 -5.929 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 6 73.892 -7.976 -6.067 1.00 0.00 H new ATOM 0 HG3 LYS A 6 72.626 -8.516 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 6 75.228 -7.234 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 6 75.014 -8.966 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.854 -9.069 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 6 72.736 -7.828 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 73.980 -7.109 -11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 74.369 -6.131 -10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.452 -7.333 -10.535 1.00 0.00 H new ATOM 114 N THR A 7 73.799 -3.184 -6.460 1.00 0.00 N ATOM 115 CA THR A 7 73.403 -1.787 -6.594 1.00 0.00 C ATOM 116 C THR A 7 73.313 -1.397 -8.066 1.00 0.00 C ATOM 117 O THR A 7 73.586 -2.208 -8.950 1.00 0.00 O ATOM 118 CB THR A 7 74.418 -0.886 -5.886 1.00 0.00 C ATOM 119 OG1 THR A 7 75.646 -0.907 -6.603 1.00 0.00 O ATOM 120 CG2 THR A 7 74.649 -1.392 -4.463 1.00 0.00 C ATOM 0 H THR A 7 74.776 -3.371 -6.685 1.00 0.00 H new ATOM 0 HA THR A 7 72.423 -1.660 -6.134 1.00 0.00 H new ATOM 0 HB THR A 7 74.034 0.134 -5.847 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.341 -0.463 -6.074 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.372 -0.749 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 7 73.707 -1.377 -3.914 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.033 -2.412 -4.497 1.00 0.00 H new ATOM 128 N LEU A 8 72.930 -0.151 -8.321 1.00 0.00 N ATOM 129 CA LEU A 8 72.808 0.338 -9.688 1.00 0.00 C ATOM 130 C LEU A 8 74.163 0.323 -10.386 1.00 0.00 C ATOM 131 O LEU A 8 74.242 0.302 -11.614 1.00 0.00 O ATOM 132 CB LEU A 8 72.258 1.766 -9.676 1.00 0.00 C ATOM 133 CG LEU A 8 70.740 1.742 -9.467 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.034 1.182 -10.708 1.00 0.00 C ATOM 135 CD2 LEU A 8 70.403 0.864 -8.257 1.00 0.00 C ATOM 0 H LEU A 8 72.700 0.535 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 8 72.126 -0.316 -10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.734 2.341 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 8 72.496 2.264 -10.616 1.00 0.00 H new ATOM 0 HG LEU A 8 70.397 2.762 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.957 1.173 -10.541 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.262 1.809 -11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.381 0.166 -10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 8 69.323 0.847 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 8 70.761 -0.151 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.885 1.270 -7.368 1.00 0.00 H new ATOM 147 N THR A 9 75.230 0.340 -9.593 1.00 0.00 N ATOM 148 CA THR A 9 76.579 0.333 -10.143 1.00 0.00 C ATOM 149 C THR A 9 77.047 -1.093 -10.410 1.00 0.00 C ATOM 150 O THR A 9 78.200 -1.321 -10.772 1.00 0.00 O ATOM 151 CB THR A 9 77.540 1.015 -9.166 1.00 0.00 C ATOM 152 OG1 THR A 9 78.052 0.050 -8.258 1.00 0.00 O ATOM 153 CG2 THR A 9 76.792 2.103 -8.391 1.00 0.00 C ATOM 0 H THR A 9 75.187 0.359 -8.574 1.00 0.00 H new ATOM 0 HA THR A 9 76.569 0.878 -11.087 1.00 0.00 H new ATOM 0 HB THR A 9 78.364 1.466 -9.719 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.318 -0.315 -7.720 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.476 2.589 -7.695 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.399 2.842 -9.089 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.968 1.654 -7.836 1.00 0.00 H new ATOM 161 N GLY A 10 76.142 -2.049 -10.231 1.00 0.00 N ATOM 162 CA GLY A 10 76.472 -3.452 -10.460 1.00 0.00 C ATOM 163 C GLY A 10 77.446 -3.963 -9.404 1.00 0.00 C ATOM 164 O GLY A 10 77.842 -5.128 -9.424 1.00 0.00 O ATOM 0 H GLY A 10 75.182 -1.881 -9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.562 -4.051 -10.441 1.00 0.00 H new ATOM 0 HA3 GLY A 10 76.910 -3.569 -11.451 1.00 0.00 H new ATOM 168 N LYS A 11 77.827 -3.086 -8.480 1.00 0.00 N ATOM 169 CA LYS A 11 78.752 -3.467 -7.419 1.00 0.00 C ATOM 170 C LYS A 11 78.053 -4.366 -6.406 1.00 0.00 C ATOM 171 O LYS A 11 77.178 -3.918 -5.664 1.00 0.00 O ATOM 172 CB LYS A 11 79.285 -2.215 -6.718 1.00 0.00 C ATOM 173 CG LYS A 11 80.449 -2.597 -5.799 1.00 0.00 C ATOM 174 CD LYS A 11 80.814 -1.402 -4.914 1.00 0.00 C ATOM 175 CE LYS A 11 82.035 -1.754 -4.062 1.00 0.00 C ATOM 176 NZ LYS A 11 81.685 -1.632 -2.618 1.00 0.00 N ATOM 0 H LYS A 11 77.513 -2.116 -8.444 1.00 0.00 H new ATOM 0 HA LYS A 11 79.585 -4.014 -7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.616 -1.485 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.491 -1.744 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 11 80.173 -3.451 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.311 -2.900 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.027 -0.530 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 11 79.973 -1.140 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.365 -2.769 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.864 -1.089 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 82.515 -1.871 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 81.390 -0.656 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 80.906 -2.284 -2.393 1.00 0.00 H new ATOM 190 N THR A 12 78.443 -5.637 -6.379 1.00 0.00 N ATOM 191 CA THR A 12 77.844 -6.589 -5.452 1.00 0.00 C ATOM 192 C THR A 12 78.561 -6.546 -4.107 1.00 0.00 C ATOM 193 O THR A 12 79.730 -6.918 -4.003 1.00 0.00 O ATOM 194 CB THR A 12 77.924 -8.004 -6.033 1.00 0.00 C ATOM 195 OG1 THR A 12 77.504 -7.980 -7.391 1.00 0.00 O ATOM 196 CG2 THR A 12 77.016 -8.941 -5.233 1.00 0.00 C ATOM 0 H THR A 12 79.165 -6.028 -6.984 1.00 0.00 H new ATOM 0 HA THR A 12 76.799 -6.318 -5.303 1.00 0.00 H new ATOM 0 HB THR A 12 78.952 -8.363 -5.975 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.556 -8.884 -7.766 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.075 -9.947 -5.648 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.338 -8.959 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 12 75.987 -8.585 -5.288 1.00 0.00 H new ATOM 204 N ILE A 13 77.853 -6.090 -3.078 1.00 0.00 N ATOM 205 CA ILE A 13 78.435 -6.004 -1.744 1.00 0.00 C ATOM 206 C ILE A 13 78.059 -7.223 -0.912 1.00 0.00 C ATOM 207 O ILE A 13 76.878 -7.519 -0.725 1.00 0.00 O ATOM 208 CB ILE A 13 77.943 -4.742 -1.030 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.290 -3.801 -2.046 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.125 -4.035 -0.361 1.00 0.00 C ATOM 211 CD1 ILE A 13 77.019 -2.447 -1.388 1.00 0.00 C ATOM 0 H ILE A 13 76.884 -5.777 -3.141 1.00 0.00 H new ATOM 0 HA ILE A 13 79.519 -5.965 -1.853 1.00 0.00 H new ATOM 0 HB ILE A 13 77.212 -5.018 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.942 -3.673 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.358 -4.233 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.772 -3.137 0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.586 -4.705 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.860 -3.759 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.554 -1.777 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.351 -2.583 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.959 -2.014 -1.045 1.00 0.00 H new ATOM 223 N THR A 14 79.067 -7.921 -0.401 1.00 0.00 N ATOM 224 CA THR A 14 78.824 -9.096 0.422 1.00 0.00 C ATOM 225 C THR A 14 78.956 -8.729 1.897 1.00 0.00 C ATOM 226 O THR A 14 79.946 -8.126 2.307 1.00 0.00 O ATOM 227 CB THR A 14 79.825 -10.201 0.073 1.00 0.00 C ATOM 228 OG1 THR A 14 79.812 -10.421 -1.331 1.00 0.00 O ATOM 229 CG2 THR A 14 79.438 -11.490 0.797 1.00 0.00 C ATOM 0 H THR A 14 80.052 -7.695 -0.541 1.00 0.00 H new ATOM 0 HA THR A 14 77.815 -9.459 0.229 1.00 0.00 H new ATOM 0 HB THR A 14 80.825 -9.899 0.385 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.178 -11.137 -1.544 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.151 -12.276 0.548 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.448 -11.320 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.439 -11.796 0.487 1.00 0.00 H new ATOM 237 N LEU A 15 77.950 -9.087 2.689 1.00 0.00 N ATOM 238 CA LEU A 15 77.972 -8.771 4.113 1.00 0.00 C ATOM 239 C LEU A 15 77.424 -9.932 4.935 1.00 0.00 C ATOM 240 O LEU A 15 76.720 -10.797 4.415 1.00 0.00 O ATOM 241 CB LEU A 15 77.116 -7.525 4.411 1.00 0.00 C ATOM 242 CG LEU A 15 77.060 -6.579 3.203 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.036 -5.476 3.481 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.435 -5.944 2.977 1.00 0.00 C ATOM 0 H LEU A 15 77.120 -9.589 2.375 1.00 0.00 H new ATOM 0 HA LEU A 15 79.010 -8.582 4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.106 -7.832 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.528 -6.996 5.270 1.00 0.00 H new ATOM 0 HG LEU A 15 76.773 -7.141 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 15 75.990 -4.799 2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.055 -5.923 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.333 -4.919 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.390 -5.274 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.725 -5.380 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.170 -6.726 2.788 1.00 0.00 H new ATOM 256 N GLU A 16 77.729 -9.921 6.229 1.00 0.00 N ATOM 257 CA GLU A 16 77.242 -10.956 7.131 1.00 0.00 C ATOM 258 C GLU A 16 75.970 -10.460 7.807 1.00 0.00 C ATOM 259 O GLU A 16 75.935 -9.343 8.323 1.00 0.00 O ATOM 260 CB GLU A 16 78.299 -11.282 8.189 1.00 0.00 C ATOM 261 CG GLU A 16 79.274 -10.109 8.322 1.00 0.00 C ATOM 262 CD GLU A 16 78.509 -8.823 8.615 1.00 0.00 C ATOM 263 OE1 GLU A 16 78.516 -7.947 7.764 1.00 0.00 O ATOM 264 OE2 GLU A 16 77.931 -8.729 9.685 1.00 0.00 O ATOM 0 H GLU A 16 78.309 -9.209 6.674 1.00 0.00 H new ATOM 0 HA GLU A 16 77.033 -11.862 6.563 1.00 0.00 H new ATOM 0 HB2 GLU A 16 77.819 -11.479 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.839 -12.187 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 16 79.987 -10.308 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 16 79.849 -9.998 7.403 1.00 0.00 H new ATOM 271 N VAL A 17 74.917 -11.269 7.772 1.00 0.00 N ATOM 272 CA VAL A 17 73.650 -10.854 8.360 1.00 0.00 C ATOM 273 C VAL A 17 72.938 -12.012 9.063 1.00 0.00 C ATOM 274 O VAL A 17 73.108 -13.175 8.697 1.00 0.00 O ATOM 275 CB VAL A 17 72.756 -10.291 7.255 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.582 -9.386 6.341 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.165 -11.439 6.431 1.00 0.00 C ATOM 0 H VAL A 17 74.914 -12.198 7.351 1.00 0.00 H new ATOM 0 HA VAL A 17 73.854 -10.093 9.114 1.00 0.00 H new ATOM 0 HB VAL A 17 71.948 -9.716 7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.944 -8.985 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.000 -8.565 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.392 -9.962 5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.529 -11.033 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 17 72.972 -12.018 5.982 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.573 -12.085 7.079 1.00 0.00 H new ATOM 287 N GLU A 18 72.132 -11.670 10.073 1.00 0.00 N ATOM 288 CA GLU A 18 71.377 -12.670 10.830 1.00 0.00 C ATOM 289 C GLU A 18 69.873 -12.434 10.647 1.00 0.00 C ATOM 290 O GLU A 18 69.475 -11.522 9.937 1.00 0.00 O ATOM 291 CB GLU A 18 71.736 -12.582 12.318 1.00 0.00 C ATOM 292 CG GLU A 18 73.082 -11.872 12.507 1.00 0.00 C ATOM 293 CD GLU A 18 74.160 -12.498 11.625 1.00 0.00 C ATOM 294 OE1 GLU A 18 75.248 -11.946 11.586 1.00 0.00 O ATOM 295 OE2 GLU A 18 73.880 -13.500 10.989 1.00 0.00 O ATOM 0 H GLU A 18 71.987 -10.710 10.384 1.00 0.00 H new ATOM 0 HA GLU A 18 71.633 -13.662 10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 18 70.956 -12.043 12.855 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.784 -13.583 12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 18 72.977 -10.815 12.264 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.384 -11.930 13.553 1.00 0.00 H new ATOM 302 N PRO A 19 69.026 -13.222 11.258 1.00 0.00 N ATOM 303 CA PRO A 19 67.550 -13.046 11.123 1.00 0.00 C ATOM 304 C PRO A 19 67.040 -11.802 11.861 1.00 0.00 C ATOM 305 O PRO A 19 65.832 -11.594 11.958 1.00 0.00 O ATOM 306 CB PRO A 19 66.950 -14.319 11.739 1.00 0.00 C ATOM 307 CG PRO A 19 68.096 -15.218 12.086 1.00 0.00 C ATOM 308 CD PRO A 19 69.356 -14.357 12.128 1.00 0.00 C ATOM 0 HA PRO A 19 67.265 -12.901 10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.365 -14.079 12.627 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.276 -14.807 11.035 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.928 -15.699 13.049 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.198 -16.012 11.346 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.586 -14.031 13.143 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.227 -14.902 11.763 1.00 0.00 H new ATOM 316 N SER A 20 67.961 -10.979 12.373 1.00 0.00 N ATOM 317 CA SER A 20 67.581 -9.751 13.089 1.00 0.00 C ATOM 318 C SER A 20 68.144 -8.534 12.356 1.00 0.00 C ATOM 319 O SER A 20 68.050 -7.393 12.810 1.00 0.00 O ATOM 320 CB SER A 20 68.105 -9.787 14.525 1.00 0.00 C ATOM 321 OG SER A 20 69.463 -10.206 14.518 1.00 0.00 O ATOM 0 H SER A 20 68.967 -11.136 12.307 1.00 0.00 H new ATOM 0 HA SER A 20 66.494 -9.682 13.119 1.00 0.00 H new ATOM 0 HB2 SER A 20 68.019 -8.801 14.981 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.505 -10.470 15.127 1.00 0.00 H new ATOM 0 HG SER A 20 69.803 -10.229 15.437 1.00 0.00 H new ATOM 327 N ASP A 21 68.702 -8.833 11.205 1.00 0.00 N ATOM 328 CA ASP A 21 69.294 -7.865 10.287 1.00 0.00 C ATOM 329 C ASP A 21 68.206 -7.204 9.478 1.00 0.00 C ATOM 330 O ASP A 21 68.224 -7.213 8.246 1.00 0.00 O ATOM 331 CB ASP A 21 70.303 -8.513 9.371 1.00 0.00 C ATOM 332 CG ASP A 21 71.656 -8.612 10.064 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.614 -8.080 9.528 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.714 -9.202 11.130 1.00 0.00 O ATOM 0 H ASP A 21 68.762 -9.792 10.862 1.00 0.00 H new ATOM 0 HA ASP A 21 69.820 -7.114 10.877 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.959 -9.507 9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.398 -7.932 8.454 1.00 0.00 H new ATOM 339 N THR A 22 67.189 -6.758 10.169 1.00 0.00 N ATOM 340 CA THR A 22 66.014 -6.241 9.497 1.00 0.00 C ATOM 341 C THR A 22 66.340 -4.995 8.701 1.00 0.00 C ATOM 342 O THR A 22 67.226 -4.220 9.041 1.00 0.00 O ATOM 343 CB THR A 22 64.975 -5.835 10.541 1.00 0.00 C ATOM 344 OG1 THR A 22 65.029 -4.428 10.729 1.00 0.00 O ATOM 345 CG2 THR A 22 65.282 -6.532 11.861 1.00 0.00 C ATOM 0 H THR A 22 67.145 -6.740 11.188 1.00 0.00 H new ATOM 0 HA THR A 22 65.644 -7.023 8.833 1.00 0.00 H new ATOM 0 HB THR A 22 63.981 -6.124 10.200 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.363 -4.161 11.397 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.541 -6.243 12.606 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.250 -7.612 11.718 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.275 -6.240 12.204 1.00 0.00 H new ATOM 353 N ILE A 23 65.625 -4.880 7.589 1.00 0.00 N ATOM 354 CA ILE A 23 65.797 -3.798 6.635 1.00 0.00 C ATOM 355 C ILE A 23 66.260 -2.513 7.314 1.00 0.00 C ATOM 356 O ILE A 23 66.993 -1.722 6.721 1.00 0.00 O ATOM 357 CB ILE A 23 64.479 -3.585 5.885 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.293 -4.699 4.841 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.504 -2.236 5.168 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.238 -6.080 5.516 1.00 0.00 C ATOM 0 H ILE A 23 64.900 -5.546 7.323 1.00 0.00 H new ATOM 0 HA ILE A 23 66.579 -4.072 5.927 1.00 0.00 H new ATOM 0 HB ILE A 23 63.657 -3.606 6.601 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.375 -4.527 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.114 -4.672 4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.564 -2.089 4.636 1.00 0.00 H new ATOM 0 HG22 ILE A 23 64.636 -1.438 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.330 -2.217 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.106 -6.851 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.168 -6.258 6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.401 -6.111 6.214 1.00 0.00 H new ATOM 372 N GLU A 24 65.855 -2.318 8.563 1.00 0.00 N ATOM 373 CA GLU A 24 66.271 -1.133 9.304 1.00 0.00 C ATOM 374 C GLU A 24 67.762 -1.229 9.629 1.00 0.00 C ATOM 375 O GLU A 24 68.523 -0.291 9.390 1.00 0.00 O ATOM 376 CB GLU A 24 65.459 -1.016 10.596 1.00 0.00 C ATOM 377 CG GLU A 24 65.850 0.266 11.332 1.00 0.00 C ATOM 378 CD GLU A 24 64.773 0.635 12.348 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.649 -0.073 13.334 1.00 0.00 O ATOM 380 OE2 GLU A 24 64.090 1.621 12.126 1.00 0.00 O ATOM 0 H GLU A 24 65.248 -2.955 9.079 1.00 0.00 H new ATOM 0 HA GLU A 24 66.094 -0.246 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.393 -1.006 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.641 -1.882 11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.806 0.128 11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.982 1.079 10.618 1.00 0.00 H new ATOM 387 N ASN A 25 68.169 -2.380 10.158 1.00 0.00 N ATOM 388 CA ASN A 25 69.568 -2.619 10.498 1.00 0.00 C ATOM 389 C ASN A 25 70.407 -2.769 9.232 1.00 0.00 C ATOM 390 O ASN A 25 71.505 -2.222 9.133 1.00 0.00 O ATOM 391 CB ASN A 25 69.691 -3.895 11.337 1.00 0.00 C ATOM 392 CG ASN A 25 70.813 -3.740 12.357 1.00 0.00 C ATOM 393 OD1 ASN A 25 71.958 -4.100 12.083 1.00 0.00 O ATOM 394 ND2 ASN A 25 70.554 -3.215 13.524 1.00 0.00 N ATOM 0 H ASN A 25 67.548 -3.163 10.361 1.00 0.00 H new ATOM 0 HA ASN A 25 69.933 -1.766 11.070 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.749 -4.097 11.847 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.892 -4.748 10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 25 71.301 -3.103 14.210 1.00 0.00 H new ATOM 0 HD22 ASN A 25 69.605 -2.917 13.750 1.00 0.00 H new ATOM 401 N ALA A 26 69.883 -3.525 8.270 1.00 0.00 N ATOM 402 CA ALA A 26 70.591 -3.753 7.016 1.00 0.00 C ATOM 403 C ALA A 26 70.890 -2.432 6.317 1.00 0.00 C ATOM 404 O ALA A 26 71.978 -2.237 5.773 1.00 0.00 O ATOM 405 CB ALA A 26 69.749 -4.639 6.096 1.00 0.00 C ATOM 0 H ALA A 26 68.976 -3.987 8.335 1.00 0.00 H new ATOM 0 HA ALA A 26 71.534 -4.251 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.284 -4.805 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.563 -5.596 6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.799 -4.148 5.888 1.00 0.00 H new ATOM 411 N LYS A 27 69.920 -1.527 6.334 1.00 0.00 N ATOM 412 CA LYS A 27 70.091 -0.226 5.699 1.00 0.00 C ATOM 413 C LYS A 27 71.257 0.524 6.336 1.00 0.00 C ATOM 414 O LYS A 27 72.007 1.222 5.655 1.00 0.00 O ATOM 415 CB LYS A 27 68.811 0.599 5.850 1.00 0.00 C ATOM 416 CG LYS A 27 67.865 0.309 4.684 1.00 0.00 C ATOM 417 CD LYS A 27 66.582 1.127 4.857 1.00 0.00 C ATOM 418 CE LYS A 27 65.579 0.749 3.765 1.00 0.00 C ATOM 419 NZ LYS A 27 66.263 -0.065 2.721 1.00 0.00 N ATOM 0 H LYS A 27 69.012 -1.668 6.777 1.00 0.00 H new ATOM 0 HA LYS A 27 70.302 -0.380 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.323 0.359 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.054 1.661 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.346 0.561 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.630 -0.755 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.151 0.941 5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.808 2.192 4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 27 64.751 0.186 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 27 65.154 1.649 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 65.604 -0.250 1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 67.090 0.454 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.573 -0.968 3.133 1.00 0.00 H new ATOM 433 N ALA A 28 71.401 0.371 7.650 1.00 0.00 N ATOM 434 CA ALA A 28 72.477 1.035 8.375 1.00 0.00 C ATOM 435 C ALA A 28 73.826 0.418 8.022 1.00 0.00 C ATOM 436 O ALA A 28 74.829 1.122 7.896 1.00 0.00 O ATOM 437 CB ALA A 28 72.239 0.917 9.882 1.00 0.00 C ATOM 0 H ALA A 28 70.790 -0.203 8.230 1.00 0.00 H new ATOM 0 HA ALA A 28 72.487 2.086 8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.047 1.415 10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.289 1.387 10.138 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.211 -0.135 10.165 1.00 0.00 H new ATOM 443 N LYS A 29 73.847 -0.903 7.866 1.00 0.00 N ATOM 444 CA LYS A 29 75.082 -1.605 7.531 1.00 0.00 C ATOM 445 C LYS A 29 75.632 -1.113 6.196 1.00 0.00 C ATOM 446 O LYS A 29 76.842 -0.954 6.035 1.00 0.00 O ATOM 447 CB LYS A 29 74.821 -3.111 7.455 1.00 0.00 C ATOM 448 CG LYS A 29 74.913 -3.717 8.857 1.00 0.00 C ATOM 449 CD LYS A 29 74.433 -5.168 8.819 1.00 0.00 C ATOM 450 CE LYS A 29 75.223 -5.996 9.833 1.00 0.00 C ATOM 451 NZ LYS A 29 75.189 -5.321 11.162 1.00 0.00 N ATOM 0 H LYS A 29 73.029 -1.505 7.965 1.00 0.00 H new ATOM 0 HA LYS A 29 75.817 -1.403 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 73.835 -3.299 7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.548 -3.584 6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.941 -3.672 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 29 74.306 -3.140 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.368 -5.215 9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 29 74.564 -5.579 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.798 -6.997 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.254 -6.112 9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.398 -6.014 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 75.900 -4.562 11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.245 -4.915 11.321 1.00 0.00 H new ATOM 465 N ILE A 30 74.739 -0.876 5.243 1.00 0.00 N ATOM 466 CA ILE A 30 75.150 -0.404 3.927 1.00 0.00 C ATOM 467 C ILE A 30 75.619 1.045 4.000 1.00 0.00 C ATOM 468 O ILE A 30 76.592 1.426 3.346 1.00 0.00 O ATOM 469 CB ILE A 30 73.987 -0.522 2.945 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.940 -1.950 2.400 1.00 0.00 C ATOM 471 CG2 ILE A 30 74.186 0.457 1.784 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.543 -2.235 1.857 1.00 0.00 C ATOM 0 H ILE A 30 73.733 -1.002 5.355 1.00 0.00 H new ATOM 0 HA ILE A 30 75.978 -1.022 3.581 1.00 0.00 H new ATOM 0 HB ILE A 30 73.053 -0.286 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.682 -2.075 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.189 -2.661 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.353 0.368 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.229 1.475 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 30 75.118 0.225 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.505 -3.252 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.812 -2.126 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.313 -1.531 1.057 1.00 0.00 H new ATOM 484 N GLN A 31 74.920 1.849 4.794 1.00 0.00 N ATOM 485 CA GLN A 31 75.275 3.254 4.941 1.00 0.00 C ATOM 486 C GLN A 31 76.716 3.395 5.417 1.00 0.00 C ATOM 487 O GLN A 31 77.461 4.239 4.922 1.00 0.00 O ATOM 488 CB GLN A 31 74.330 3.929 5.939 1.00 0.00 C ATOM 489 CG GLN A 31 74.838 5.337 6.260 1.00 0.00 C ATOM 490 CD GLN A 31 75.624 5.323 7.566 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.746 5.825 7.621 1.00 0.00 O ATOM 492 NE2 GLN A 31 75.098 4.771 8.624 1.00 0.00 N ATOM 0 H GLN A 31 74.111 1.554 5.341 1.00 0.00 H new ATOM 0 HA GLN A 31 75.180 3.739 3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.324 3.981 5.523 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.267 3.338 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.471 5.698 5.449 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.997 6.026 6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 31 74.168 4.356 8.574 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.617 4.754 9.502 1.00 0.00 H new ATOM 501 N ASP A 32 77.105 2.565 6.376 1.00 0.00 N ATOM 502 CA ASP A 32 78.463 2.612 6.906 1.00 0.00 C ATOM 503 C ASP A 32 79.471 2.160 5.851 1.00 0.00 C ATOM 504 O ASP A 32 80.671 2.396 5.989 1.00 0.00 O ATOM 505 CB ASP A 32 78.574 1.714 8.138 1.00 0.00 C ATOM 506 CG ASP A 32 79.264 2.467 9.270 1.00 0.00 C ATOM 507 OD1 ASP A 32 80.437 2.217 9.493 1.00 0.00 O ATOM 508 OD2 ASP A 32 78.609 3.283 9.897 1.00 0.00 O ATOM 0 H ASP A 32 76.506 1.857 6.800 1.00 0.00 H new ATOM 0 HA ASP A 32 78.686 3.642 7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 32 77.582 1.393 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.137 0.814 7.893 1.00 0.00 H new ATOM 513 N LYS A 33 78.979 1.499 4.809 1.00 0.00 N ATOM 514 CA LYS A 33 79.852 1.006 3.747 1.00 0.00 C ATOM 515 C LYS A 33 79.938 1.995 2.586 1.00 0.00 C ATOM 516 O LYS A 33 81.018 2.220 2.038 1.00 0.00 O ATOM 517 CB LYS A 33 79.328 -0.333 3.225 1.00 0.00 C ATOM 518 CG LYS A 33 79.591 -1.431 4.258 1.00 0.00 C ATOM 519 CD LYS A 33 80.747 -2.312 3.782 1.00 0.00 C ATOM 520 CE LYS A 33 81.030 -3.393 4.826 1.00 0.00 C ATOM 521 NZ LYS A 33 82.429 -3.254 5.320 1.00 0.00 N ATOM 0 H LYS A 33 77.989 1.293 4.676 1.00 0.00 H new ATOM 0 HA LYS A 33 80.849 0.882 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.260 -0.261 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.816 -0.583 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.832 -0.987 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.694 -2.034 4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.498 -2.772 2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.638 -1.705 3.621 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.329 -3.304 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 33 80.884 -4.381 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.621 -3.989 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.090 -3.360 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.553 -2.316 5.751 1.00 0.00 H new ATOM 535 N GLU A 34 78.797 2.561 2.199 1.00 0.00 N ATOM 536 CA GLU A 34 78.763 3.503 1.080 1.00 0.00 C ATOM 537 C GLU A 34 78.528 4.937 1.554 1.00 0.00 C ATOM 538 O GLU A 34 78.485 5.862 0.743 1.00 0.00 O ATOM 539 CB GLU A 34 77.656 3.100 0.105 1.00 0.00 C ATOM 540 CG GLU A 34 77.989 1.739 -0.509 1.00 0.00 C ATOM 541 CD GLU A 34 79.044 1.903 -1.597 1.00 0.00 C ATOM 542 OE1 GLU A 34 80.088 1.282 -1.481 1.00 0.00 O ATOM 543 OE2 GLU A 34 78.795 2.648 -2.531 1.00 0.00 O ATOM 0 H GLU A 34 77.892 2.387 2.637 1.00 0.00 H new ATOM 0 HA GLU A 34 79.733 3.468 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.699 3.052 0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.556 3.850 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.353 1.062 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 34 77.089 1.290 -0.928 1.00 0.00 H new ATOM 550 N GLY A 35 78.375 5.121 2.860 1.00 0.00 N ATOM 551 CA GLY A 35 78.144 6.456 3.405 1.00 0.00 C ATOM 552 C GLY A 35 76.788 6.999 2.965 1.00 0.00 C ATOM 553 O GLY A 35 76.435 8.137 3.273 1.00 0.00 O ATOM 0 H GLY A 35 78.406 4.375 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 35 78.190 6.421 4.493 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.934 7.130 3.074 1.00 0.00 H new ATOM 557 N ILE A 36 76.031 6.177 2.245 1.00 0.00 N ATOM 558 CA ILE A 36 74.715 6.584 1.766 1.00 0.00 C ATOM 559 C ILE A 36 73.683 6.502 2.906 1.00 0.00 C ATOM 560 O ILE A 36 73.442 5.415 3.430 1.00 0.00 O ATOM 561 CB ILE A 36 74.279 5.666 0.622 1.00 0.00 C ATOM 562 CG1 ILE A 36 75.295 5.759 -0.518 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.903 6.093 0.108 1.00 0.00 C ATOM 564 CD1 ILE A 36 75.083 4.596 -1.492 1.00 0.00 C ATOM 0 H ILE A 36 76.304 5.230 1.982 1.00 0.00 H new ATOM 0 HA ILE A 36 74.773 7.613 1.412 1.00 0.00 H new ATOM 0 HB ILE A 36 74.225 4.640 0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 36 75.184 6.709 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 36 76.309 5.732 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 36 72.599 5.435 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 36 72.176 6.028 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.952 7.120 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 36 75.808 4.664 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 36 75.216 3.651 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 36 74.074 4.644 -1.902 1.00 0.00 H new ATOM 576 N PRO A 37 73.066 7.600 3.306 1.00 0.00 N ATOM 577 CA PRO A 37 72.054 7.575 4.403 1.00 0.00 C ATOM 578 C PRO A 37 71.072 6.405 4.254 1.00 0.00 C ATOM 579 O PRO A 37 70.819 5.948 3.139 1.00 0.00 O ATOM 580 CB PRO A 37 71.330 8.913 4.258 1.00 0.00 C ATOM 581 CG PRO A 37 72.319 9.833 3.628 1.00 0.00 C ATOM 582 CD PRO A 37 73.252 8.967 2.777 1.00 0.00 C ATOM 0 HA PRO A 37 72.514 7.438 5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.438 8.812 3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.005 9.290 5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 37 71.816 10.578 3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 37 72.881 10.375 4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.992 9.023 1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 37 74.289 9.291 2.868 1.00 0.00 H new ATOM 590 N PRO A 38 70.513 5.915 5.337 1.00 0.00 N ATOM 591 CA PRO A 38 69.542 4.782 5.293 1.00 0.00 C ATOM 592 C PRO A 38 68.169 5.207 4.770 1.00 0.00 C ATOM 593 O PRO A 38 67.419 4.391 4.237 1.00 0.00 O ATOM 594 CB PRO A 38 69.443 4.334 6.751 1.00 0.00 C ATOM 595 CG PRO A 38 69.760 5.550 7.554 1.00 0.00 C ATOM 596 CD PRO A 38 70.739 6.377 6.722 1.00 0.00 C ATOM 0 HA PRO A 38 69.872 3.995 4.615 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.446 3.959 6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 38 70.144 3.527 6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.856 6.120 7.768 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.200 5.277 8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.545 7.445 6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.769 6.209 7.035 1.00 0.00 H new ATOM 604 N ASP A 39 67.845 6.484 4.938 1.00 0.00 N ATOM 605 CA ASP A 39 66.554 7.001 4.493 1.00 0.00 C ATOM 606 C ASP A 39 66.527 7.202 2.980 1.00 0.00 C ATOM 607 O ASP A 39 65.473 7.483 2.408 1.00 0.00 O ATOM 608 CB ASP A 39 66.264 8.335 5.184 1.00 0.00 C ATOM 609 CG ASP A 39 66.599 9.489 4.245 1.00 0.00 C ATOM 610 OD1 ASP A 39 67.730 9.548 3.790 1.00 0.00 O ATOM 611 OD2 ASP A 39 65.718 10.293 3.987 1.00 0.00 O ATOM 0 H ASP A 39 68.452 7.177 5.376 1.00 0.00 H new ATOM 0 HA ASP A 39 65.791 6.269 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.214 8.384 5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 39 66.852 8.416 6.098 1.00 0.00 H new ATOM 616 N GLN A 40 67.684 7.062 2.338 1.00 0.00 N ATOM 617 CA GLN A 40 67.774 7.242 0.891 1.00 0.00 C ATOM 618 C GLN A 40 68.020 5.912 0.184 1.00 0.00 C ATOM 619 O GLN A 40 68.306 5.885 -1.013 1.00 0.00 O ATOM 620 CB GLN A 40 68.907 8.214 0.558 1.00 0.00 C ATOM 621 CG GLN A 40 68.347 9.637 0.466 1.00 0.00 C ATOM 622 CD GLN A 40 69.461 10.653 0.689 1.00 0.00 C ATOM 623 OE1 GLN A 40 69.618 11.169 1.796 1.00 0.00 O ATOM 624 NE2 GLN A 40 70.243 10.981 -0.303 1.00 0.00 N ATOM 0 H GLN A 40 68.566 6.826 2.792 1.00 0.00 H new ATOM 0 HA GLN A 40 66.825 7.648 0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.680 8.165 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.375 7.934 -0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.891 9.794 -0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.563 9.776 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.112 10.553 -1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.986 11.666 -0.162 1.00 0.00 H new ATOM 633 N GLN A 41 67.907 4.814 0.929 1.00 0.00 N ATOM 634 CA GLN A 41 68.122 3.486 0.359 1.00 0.00 C ATOM 635 C GLN A 41 66.821 2.691 0.330 1.00 0.00 C ATOM 636 O GLN A 41 66.011 2.772 1.252 1.00 0.00 O ATOM 637 CB GLN A 41 69.165 2.730 1.183 1.00 0.00 C ATOM 638 CG GLN A 41 70.527 3.398 1.001 1.00 0.00 C ATOM 639 CD GLN A 41 71.480 2.959 2.109 1.00 0.00 C ATOM 640 OE1 GLN A 41 72.615 3.429 2.177 1.00 0.00 O ATOM 641 NE2 GLN A 41 71.079 2.083 2.990 1.00 0.00 N ATOM 0 H GLN A 41 67.670 4.817 1.921 1.00 0.00 H new ATOM 0 HA GLN A 41 68.480 3.606 -0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.884 2.730 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.212 1.688 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.942 3.135 0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.414 4.482 1.017 1.00 0.00 H new ATOM 0 HE21 GLN A 41 70.138 1.695 2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 41 71.707 1.787 3.737 1.00 0.00 H new ATOM 650 N ARG A 42 66.634 1.920 -0.738 1.00 0.00 N ATOM 651 CA ARG A 42 65.434 1.106 -0.886 1.00 0.00 C ATOM 652 C ARG A 42 65.806 -0.320 -1.280 1.00 0.00 C ATOM 653 O ARG A 42 66.420 -0.545 -2.321 1.00 0.00 O ATOM 654 CB ARG A 42 64.522 1.708 -1.955 1.00 0.00 C ATOM 655 CG ARG A 42 63.266 2.276 -1.291 1.00 0.00 C ATOM 656 CD ARG A 42 62.342 2.853 -2.362 1.00 0.00 C ATOM 657 NE ARG A 42 61.474 3.870 -1.781 1.00 0.00 N ATOM 658 CZ ARG A 42 60.315 4.192 -2.346 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.553 5.100 -1.800 1.00 0.00 N ATOM 660 NH2 ARG A 42 59.940 3.602 -3.448 1.00 0.00 N ATOM 0 H ARG A 42 67.296 1.843 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 42 64.909 1.086 0.069 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.048 2.495 -2.496 1.00 0.00 H new ATOM 0 HB3 ARG A 42 64.248 0.947 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 42 62.751 1.494 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.539 3.051 -0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 42 62.934 3.286 -3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.740 2.057 -2.801 1.00 0.00 H new ATOM 0 HE ARG A 42 61.762 4.343 -0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.847 5.562 -0.940 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.663 5.347 -2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 42 60.536 2.894 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.050 3.849 -3.882 1.00 0.00 H new ATOM 674 N LEU A 43 65.433 -1.279 -0.438 1.00 0.00 N ATOM 675 CA LEU A 43 65.741 -2.677 -0.715 1.00 0.00 C ATOM 676 C LEU A 43 64.566 -3.362 -1.404 1.00 0.00 C ATOM 677 O LEU A 43 63.409 -3.168 -1.029 1.00 0.00 O ATOM 678 CB LEU A 43 66.072 -3.412 0.587 1.00 0.00 C ATOM 679 CG LEU A 43 67.354 -2.835 1.200 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.601 -3.479 2.565 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.554 -3.116 0.286 1.00 0.00 C ATOM 0 H LEU A 43 64.924 -1.117 0.431 1.00 0.00 H new ATOM 0 HA LEU A 43 66.605 -2.710 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.246 -3.313 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.199 -4.477 0.392 1.00 0.00 H new ATOM 0 HG LEU A 43 67.236 -1.757 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.512 -3.069 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 43 66.758 -3.271 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.709 -4.557 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.457 -2.701 0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.672 -4.192 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.386 -2.655 -0.687 1.00 0.00 H new ATOM 693 N ILE A 44 64.878 -4.159 -2.417 1.00 0.00 N ATOM 694 CA ILE A 44 63.856 -4.876 -3.171 1.00 0.00 C ATOM 695 C ILE A 44 64.271 -6.332 -3.372 1.00 0.00 C ATOM 696 O ILE A 44 65.452 -6.632 -3.549 1.00 0.00 O ATOM 697 CB ILE A 44 63.647 -4.189 -4.524 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.338 -2.705 -4.260 1.00 0.00 C ATOM 699 CG2 ILE A 44 62.492 -4.861 -5.284 1.00 0.00 C ATOM 700 CD1 ILE A 44 62.339 -2.167 -5.284 1.00 0.00 C ATOM 0 H ILE A 44 65.832 -4.326 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 44 62.920 -4.861 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 44 64.543 -4.276 -5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.934 -2.586 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 44 64.259 -2.124 -4.304 1.00 0.00 H new ATOM 0 HG21 ILE A 44 62.351 -4.365 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 44 62.728 -5.912 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 44 61.576 -4.783 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.136 -1.116 -5.077 1.00 0.00 H new ATOM 0 HD12 ILE A 44 62.756 -2.265 -6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 44 61.411 -2.735 -5.220 1.00 0.00 H new ATOM 712 N PHE A 45 63.291 -7.230 -3.346 1.00 0.00 N ATOM 713 CA PHE A 45 63.563 -8.651 -3.528 1.00 0.00 C ATOM 714 C PHE A 45 62.333 -9.361 -4.085 1.00 0.00 C ATOM 715 O PHE A 45 61.199 -8.974 -3.800 1.00 0.00 O ATOM 716 CB PHE A 45 63.961 -9.286 -2.193 1.00 0.00 C ATOM 717 CG PHE A 45 64.303 -10.742 -2.409 1.00 0.00 C ATOM 718 CD1 PHE A 45 65.524 -11.096 -2.994 1.00 0.00 C ATOM 719 CD2 PHE A 45 63.397 -11.737 -2.025 1.00 0.00 C ATOM 720 CE1 PHE A 45 65.841 -12.445 -3.194 1.00 0.00 C ATOM 721 CE2 PHE A 45 63.712 -13.087 -2.225 1.00 0.00 C ATOM 722 CZ PHE A 45 64.934 -13.441 -2.810 1.00 0.00 C ATOM 0 H PHE A 45 62.308 -7.001 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 45 64.385 -8.757 -4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 45 64.816 -8.760 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.144 -9.196 -1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 45 66.222 -10.328 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 45 62.454 -11.464 -1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.784 -12.717 -3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 45 63.013 -13.855 -1.928 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.177 -14.482 -2.965 1.00 0.00 H new ATOM 732 N ALA A 46 62.563 -10.399 -4.882 1.00 0.00 N ATOM 733 CA ALA A 46 61.464 -11.154 -5.475 1.00 0.00 C ATOM 734 C ALA A 46 60.531 -10.224 -6.245 1.00 0.00 C ATOM 735 O ALA A 46 59.355 -10.532 -6.439 1.00 0.00 O ATOM 736 CB ALA A 46 60.677 -11.879 -4.382 1.00 0.00 C ATOM 0 H ALA A 46 63.493 -10.735 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 46 61.882 -11.886 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 46 59.859 -12.440 -4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.338 -12.565 -3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.273 -11.150 -3.680 1.00 0.00 H new ATOM 742 N GLY A 47 61.064 -9.088 -6.684 1.00 0.00 N ATOM 743 CA GLY A 47 60.270 -8.121 -7.433 1.00 0.00 C ATOM 744 C GLY A 47 59.348 -7.335 -6.507 1.00 0.00 C ATOM 745 O GLY A 47 58.596 -6.470 -6.956 1.00 0.00 O ATOM 0 H GLY A 47 62.036 -8.816 -6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 47 60.931 -7.434 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.678 -8.638 -8.188 1.00 0.00 H new ATOM 749 N LYS A 48 59.410 -7.646 -5.216 1.00 0.00 N ATOM 750 CA LYS A 48 58.574 -6.965 -4.232 1.00 0.00 C ATOM 751 C LYS A 48 59.406 -5.993 -3.401 1.00 0.00 C ATOM 752 O LYS A 48 60.581 -6.242 -3.129 1.00 0.00 O ATOM 753 CB LYS A 48 57.914 -7.990 -3.310 1.00 0.00 C ATOM 754 CG LYS A 48 57.568 -9.247 -4.109 1.00 0.00 C ATOM 755 CD LYS A 48 56.481 -10.036 -3.377 1.00 0.00 C ATOM 756 CE LYS A 48 56.626 -11.525 -3.695 1.00 0.00 C ATOM 757 NZ LYS A 48 55.302 -12.194 -3.553 1.00 0.00 N ATOM 0 H LYS A 48 60.026 -8.360 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 48 57.805 -6.404 -4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 48 58.585 -8.242 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 48 57.012 -7.568 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 48 57.224 -8.973 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 48 58.457 -9.865 -4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.561 -9.874 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.495 -9.683 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 48 57.005 -11.656 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 48 57.351 -11.983 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 55.400 -13.207 -3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 54.958 -12.080 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 54.623 -11.763 -4.212 1.00 0.00 H new ATOM 771 N GLN A 49 58.788 -4.887 -2.998 1.00 0.00 N ATOM 772 CA GLN A 49 59.481 -3.886 -2.194 1.00 0.00 C ATOM 773 C GLN A 49 59.420 -4.253 -0.715 1.00 0.00 C ATOM 774 O GLN A 49 58.389 -4.712 -0.223 1.00 0.00 O ATOM 775 CB GLN A 49 58.841 -2.512 -2.408 1.00 0.00 C ATOM 776 CG GLN A 49 59.756 -1.429 -1.833 1.00 0.00 C ATOM 777 CD GLN A 49 59.065 -0.071 -1.907 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.013 0.124 -1.298 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.597 0.884 -2.618 1.00 0.00 N ATOM 0 H GLN A 49 57.817 -4.662 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 49 60.525 -3.853 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 49 58.676 -2.337 -3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 49 57.865 -2.474 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.006 -1.664 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.693 -1.400 -2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 49 60.469 0.720 -3.122 1.00 0.00 H new ATOM 0 HE22 GLN A 49 59.141 1.795 -2.670 1.00 0.00 H new ATOM 788 N LEU A 50 60.529 -4.051 -0.011 1.00 0.00 N ATOM 789 CA LEU A 50 60.586 -4.370 1.412 1.00 0.00 C ATOM 790 C LEU A 50 60.239 -3.144 2.254 1.00 0.00 C ATOM 791 O LEU A 50 60.423 -2.008 1.817 1.00 0.00 O ATOM 792 CB LEU A 50 61.983 -4.864 1.789 1.00 0.00 C ATOM 793 CG LEU A 50 62.509 -5.812 0.708 1.00 0.00 C ATOM 794 CD1 LEU A 50 63.808 -6.463 1.188 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.468 -6.899 0.433 1.00 0.00 C ATOM 0 H LEU A 50 61.393 -3.671 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 50 59.857 -5.156 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 50 62.659 -4.017 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 50 61.950 -5.377 2.750 1.00 0.00 H new ATOM 0 HG LEU A 50 62.700 -5.250 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.183 -7.138 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.551 -5.690 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.617 -7.025 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.842 -7.574 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.278 -7.461 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.541 -6.437 0.092 1.00 0.00 H new ATOM 807 N GLU A 51 59.739 -3.390 3.463 1.00 0.00 N ATOM 808 CA GLU A 51 59.369 -2.307 4.370 1.00 0.00 C ATOM 809 C GLU A 51 60.119 -2.439 5.691 1.00 0.00 C ATOM 810 O GLU A 51 60.470 -3.541 6.111 1.00 0.00 O ATOM 811 CB GLU A 51 57.861 -2.339 4.633 1.00 0.00 C ATOM 812 CG GLU A 51 57.130 -1.624 3.494 1.00 0.00 C ATOM 813 CD GLU A 51 55.770 -2.274 3.257 1.00 0.00 C ATOM 814 OE1 GLU A 51 55.723 -3.253 2.530 1.00 0.00 O ATOM 815 OE2 GLU A 51 54.798 -1.784 3.806 1.00 0.00 O ATOM 0 H GLU A 51 59.581 -4.326 3.836 1.00 0.00 H new ATOM 0 HA GLU A 51 59.637 -1.359 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.516 -3.370 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.636 -1.856 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.001 -0.570 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 51 57.727 -1.668 2.583 1.00 0.00 H new ATOM 822 N ASP A 52 60.360 -1.305 6.340 1.00 0.00 N ATOM 823 CA ASP A 52 61.068 -1.299 7.611 1.00 0.00 C ATOM 824 C ASP A 52 60.196 -1.900 8.711 1.00 0.00 C ATOM 825 O ASP A 52 59.079 -1.443 8.947 1.00 0.00 O ATOM 826 CB ASP A 52 61.448 0.134 7.985 1.00 0.00 C ATOM 827 CG ASP A 52 60.788 1.123 7.030 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.315 1.315 5.947 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.764 1.673 7.397 1.00 0.00 O ATOM 0 H ASP A 52 60.076 -0.383 6.007 1.00 0.00 H new ATOM 0 HA ASP A 52 61.971 -1.901 7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.138 0.344 9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.531 0.251 7.950 1.00 0.00 H new ATOM 834 N GLY A 53 60.717 -2.928 9.375 1.00 0.00 N ATOM 835 CA GLY A 53 59.977 -3.588 10.446 1.00 0.00 C ATOM 836 C GLY A 53 60.069 -5.103 10.309 1.00 0.00 C ATOM 837 O GLY A 53 60.108 -5.827 11.303 1.00 0.00 O ATOM 0 H GLY A 53 61.641 -3.319 9.192 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.375 -3.280 11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 53 58.932 -3.278 10.418 1.00 0.00 H new ATOM 841 N ARG A 54 60.107 -5.574 9.067 1.00 0.00 N ATOM 842 CA ARG A 54 60.199 -7.005 8.803 1.00 0.00 C ATOM 843 C ARG A 54 61.659 -7.436 8.806 1.00 0.00 C ATOM 844 O ARG A 54 62.536 -6.663 8.418 1.00 0.00 O ATOM 845 CB ARG A 54 59.579 -7.333 7.445 1.00 0.00 C ATOM 846 CG ARG A 54 58.487 -6.313 7.112 1.00 0.00 C ATOM 847 CD ARG A 54 57.468 -6.266 8.252 1.00 0.00 C ATOM 848 NE ARG A 54 56.129 -6.031 7.724 1.00 0.00 N ATOM 849 CZ ARG A 54 55.725 -4.806 7.403 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.520 -4.617 6.939 1.00 0.00 N ATOM 851 NH2 ARG A 54 56.533 -3.792 7.553 1.00 0.00 N ATOM 0 H ARG A 54 60.076 -4.989 8.232 1.00 0.00 H new ATOM 0 HA ARG A 54 59.657 -7.540 9.583 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.348 -7.322 6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.158 -8.338 7.461 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.928 -5.327 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.993 -6.585 6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.488 -7.204 8.806 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.734 -5.476 8.954 1.00 0.00 H new ATOM 0 HE ARG A 54 55.493 -6.819 7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.888 -5.409 6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 54 54.210 -3.677 6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 54 57.475 -3.940 7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 54 56.223 -2.852 7.307 1.00 0.00 H new ATOM 865 N THR A 55 61.917 -8.664 9.247 1.00 0.00 N ATOM 866 CA THR A 55 63.285 -9.162 9.293 1.00 0.00 C ATOM 867 C THR A 55 63.583 -10.107 8.148 1.00 0.00 C ATOM 868 O THR A 55 62.682 -10.546 7.433 1.00 0.00 O ATOM 869 CB THR A 55 63.559 -9.854 10.624 1.00 0.00 C ATOM 870 OG1 THR A 55 62.814 -11.061 10.702 1.00 0.00 O ATOM 871 CG2 THR A 55 63.151 -8.917 11.749 1.00 0.00 C ATOM 0 H THR A 55 61.209 -9.322 9.572 1.00 0.00 H new ATOM 0 HA THR A 55 63.944 -8.300 9.193 1.00 0.00 H new ATOM 0 HB THR A 55 64.619 -10.094 10.709 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.995 -11.502 11.558 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.341 -9.397 12.709 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.730 -7.996 11.683 1.00 0.00 H new ATOM 0 HG23 THR A 55 62.089 -8.685 11.663 1.00 0.00 H new ATOM 879 N LEU A 56 64.865 -10.409 7.979 1.00 0.00 N ATOM 880 CA LEU A 56 65.286 -11.299 6.915 1.00 0.00 C ATOM 881 C LEU A 56 64.559 -12.632 7.047 1.00 0.00 C ATOM 882 O LEU A 56 64.236 -13.277 6.051 1.00 0.00 O ATOM 883 CB LEU A 56 66.801 -11.541 6.995 1.00 0.00 C ATOM 884 CG LEU A 56 67.586 -10.268 6.641 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.082 -10.555 6.752 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.280 -9.840 5.206 1.00 0.00 C ATOM 0 H LEU A 56 65.622 -10.052 8.562 1.00 0.00 H new ATOM 0 HA LEU A 56 65.046 -10.840 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.067 -11.868 8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.080 -12.345 6.314 1.00 0.00 H new ATOM 0 HG LEU A 56 67.296 -9.473 7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.645 -9.656 6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.319 -10.860 7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.351 -11.355 6.062 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.842 -8.937 4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.566 -10.637 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.213 -9.640 5.106 1.00 0.00 H new ATOM 898 N SER A 57 64.306 -13.038 8.290 1.00 0.00 N ATOM 899 CA SER A 57 63.616 -14.299 8.545 1.00 0.00 C ATOM 900 C SER A 57 62.147 -14.212 8.138 1.00 0.00 C ATOM 901 O SER A 57 61.555 -15.200 7.705 1.00 0.00 O ATOM 902 CB SER A 57 63.711 -14.656 10.028 1.00 0.00 C ATOM 903 OG SER A 57 62.401 -14.834 10.552 1.00 0.00 O ATOM 0 H SER A 57 64.566 -12.518 9.128 1.00 0.00 H new ATOM 0 HA SER A 57 64.098 -15.074 7.948 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.294 -15.568 10.158 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.229 -13.866 10.572 1.00 0.00 H new ATOM 0 HG SER A 57 62.458 -15.065 11.503 1.00 0.00 H new ATOM 909 N ASP A 58 61.561 -13.028 8.287 1.00 0.00 N ATOM 910 CA ASP A 58 60.157 -12.834 7.937 1.00 0.00 C ATOM 911 C ASP A 58 59.960 -12.852 6.425 1.00 0.00 C ATOM 912 O ASP A 58 58.962 -13.375 5.929 1.00 0.00 O ATOM 913 CB ASP A 58 59.655 -11.504 8.497 1.00 0.00 C ATOM 914 CG ASP A 58 59.746 -11.512 10.020 1.00 0.00 C ATOM 915 OD1 ASP A 58 59.375 -10.518 10.622 1.00 0.00 O ATOM 916 OD2 ASP A 58 60.178 -12.516 10.561 1.00 0.00 O ATOM 0 H ASP A 58 62.030 -12.196 8.644 1.00 0.00 H new ATOM 0 HA ASP A 58 59.587 -13.655 8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.248 -10.683 8.093 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.624 -11.335 8.187 1.00 0.00 H new ATOM 921 N TYR A 59 60.914 -12.284 5.696 1.00 0.00 N ATOM 922 CA TYR A 59 60.822 -12.251 4.241 1.00 0.00 C ATOM 923 C TYR A 59 61.328 -13.563 3.660 1.00 0.00 C ATOM 924 O TYR A 59 61.347 -13.754 2.444 1.00 0.00 O ATOM 925 CB TYR A 59 61.645 -11.087 3.683 1.00 0.00 C ATOM 926 CG TYR A 59 60.740 -9.901 3.427 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.723 -9.993 2.469 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.915 -8.716 4.150 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.883 -8.899 2.232 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.074 -7.621 3.914 1.00 0.00 C ATOM 931 CZ TYR A 59 59.059 -7.711 2.955 1.00 0.00 C ATOM 932 OH TYR A 59 58.230 -6.633 2.722 1.00 0.00 O ATOM 0 H TYR A 59 61.750 -11.845 6.082 1.00 0.00 H new ATOM 0 HA TYR A 59 59.778 -12.112 3.960 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.430 -10.813 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.138 -11.387 2.758 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.587 -10.909 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.698 -8.646 4.890 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.099 -8.970 1.492 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.209 -6.707 4.473 1.00 0.00 H new ATOM 0 HH TYR A 59 58.320 -5.987 3.453 1.00 0.00 H new ATOM 942 N ASN A 60 61.730 -14.469 4.545 1.00 0.00 N ATOM 943 CA ASN A 60 62.230 -15.769 4.125 1.00 0.00 C ATOM 944 C ASN A 60 63.502 -15.617 3.298 1.00 0.00 C ATOM 945 O ASN A 60 63.804 -16.453 2.447 1.00 0.00 O ATOM 946 CB ASN A 60 61.161 -16.493 3.304 1.00 0.00 C ATOM 947 CG ASN A 60 59.775 -16.051 3.760 1.00 0.00 C ATOM 948 OD1 ASN A 60 58.833 -16.032 2.970 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.599 -15.683 5.000 1.00 0.00 N ATOM 0 H ASN A 60 61.719 -14.326 5.555 1.00 0.00 H new ATOM 0 HA ASN A 60 62.464 -16.354 5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.293 -16.274 2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.266 -17.571 3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 60 58.678 -15.379 5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.382 -15.700 5.653 1.00 0.00 H new ATOM 956 N ILE A 61 64.246 -14.547 3.557 1.00 0.00 N ATOM 957 CA ILE A 61 65.487 -14.302 2.831 1.00 0.00 C ATOM 958 C ILE A 61 66.552 -15.308 3.256 1.00 0.00 C ATOM 959 O ILE A 61 66.598 -15.725 4.413 1.00 0.00 O ATOM 960 CB ILE A 61 65.966 -12.869 3.082 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.207 -11.937 2.124 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.471 -12.770 2.810 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.263 -10.492 2.620 1.00 0.00 C ATOM 0 H ILE A 61 64.015 -13.842 4.257 1.00 0.00 H new ATOM 0 HA ILE A 61 65.305 -14.425 1.763 1.00 0.00 H new ATOM 0 HB ILE A 61 65.778 -12.585 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.641 -12.001 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.169 -12.259 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.807 -11.749 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 61 68.006 -13.450 3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.672 -13.041 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.720 -9.848 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.807 -10.429 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.302 -10.167 2.678 1.00 0.00 H new ATOM 975 N GLN A 62 67.392 -15.712 2.309 1.00 0.00 N ATOM 976 CA GLN A 62 68.436 -16.688 2.597 1.00 0.00 C ATOM 977 C GLN A 62 69.723 -16.001 3.035 1.00 0.00 C ATOM 978 O GLN A 62 69.783 -14.776 3.138 1.00 0.00 O ATOM 979 CB GLN A 62 68.711 -17.541 1.357 1.00 0.00 C ATOM 980 CG GLN A 62 67.388 -18.062 0.792 1.00 0.00 C ATOM 981 CD GLN A 62 67.539 -19.519 0.367 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.273 -19.818 -0.575 1.00 0.00 O ATOM 983 NE2 GLN A 62 66.885 -20.447 1.009 1.00 0.00 N ATOM 0 H GLN A 62 67.371 -15.382 1.344 1.00 0.00 H new ATOM 0 HA GLN A 62 68.087 -17.324 3.411 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.232 -16.950 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.363 -18.376 1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.603 -17.973 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 62 67.084 -17.456 -0.061 1.00 0.00 H new ATOM 0 HE21 GLN A 62 66.278 -20.196 1.789 1.00 0.00 H new ATOM 0 HE22 GLN A 62 66.981 -21.424 0.731 1.00 0.00 H new ATOM 992 N LYS A 63 70.746 -16.805 3.305 1.00 0.00 N ATOM 993 CA LYS A 63 72.030 -16.277 3.745 1.00 0.00 C ATOM 994 C LYS A 63 72.955 -16.037 2.567 1.00 0.00 C ATOM 995 O LYS A 63 74.039 -15.501 2.739 1.00 0.00 O ATOM 996 CB LYS A 63 72.690 -17.262 4.707 1.00 0.00 C ATOM 997 CG LYS A 63 72.768 -18.642 4.052 1.00 0.00 C ATOM 998 CD LYS A 63 71.900 -19.630 4.834 1.00 0.00 C ATOM 999 CE LYS A 63 72.025 -21.023 4.215 1.00 0.00 C ATOM 1000 NZ LYS A 63 72.543 -21.977 5.237 1.00 0.00 N ATOM 0 H LYS A 63 70.710 -17.821 3.227 1.00 0.00 H new ATOM 0 HA LYS A 63 71.850 -15.326 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.690 -16.916 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.119 -17.319 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.430 -18.585 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.801 -18.988 4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 63 72.211 -19.656 5.878 1.00 0.00 H new ATOM 0 HD3 LYS A 63 70.859 -19.306 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 63 71.055 -21.358 3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 63 72.697 -20.992 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 72.628 -22.924 4.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 73.477 -21.659 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 71.886 -22.014 6.042 1.00 0.00 H new ATOM 1014 N GLU A 64 72.516 -16.433 1.382 1.00 0.00 N ATOM 1015 CA GLU A 64 73.301 -16.255 0.173 1.00 0.00 C ATOM 1016 C GLU A 64 72.483 -15.522 -0.890 1.00 0.00 C ATOM 1017 O GLU A 64 72.964 -15.268 -1.993 1.00 0.00 O ATOM 1018 CB GLU A 64 73.753 -17.616 -0.358 1.00 0.00 C ATOM 1019 CG GLU A 64 75.203 -17.861 0.065 1.00 0.00 C ATOM 1020 CD GLU A 64 75.660 -19.247 -0.379 1.00 0.00 C ATOM 1021 OE1 GLU A 64 76.855 -19.429 -0.531 1.00 0.00 O ATOM 1022 OE2 GLU A 64 74.810 -20.106 -0.552 1.00 0.00 O ATOM 0 H GLU A 64 71.613 -16.883 1.233 1.00 0.00 H new ATOM 0 HA GLU A 64 74.179 -15.655 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.109 -18.405 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.668 -17.643 -1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.850 -17.100 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.293 -17.771 1.148 1.00 0.00 H new ATOM 1029 N SER A 65 71.237 -15.206 -0.551 1.00 0.00 N ATOM 1030 CA SER A 65 70.337 -14.523 -1.479 1.00 0.00 C ATOM 1031 C SER A 65 70.967 -13.257 -2.050 1.00 0.00 C ATOM 1032 O SER A 65 71.992 -12.781 -1.563 1.00 0.00 O ATOM 1033 CB SER A 65 69.038 -14.160 -0.762 1.00 0.00 C ATOM 1034 OG SER A 65 68.184 -15.297 -0.732 1.00 0.00 O ATOM 0 H SER A 65 70.826 -15.411 0.360 1.00 0.00 H new ATOM 0 HA SER A 65 70.135 -15.204 -2.306 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.251 -13.824 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.545 -13.334 -1.274 1.00 0.00 H new ATOM 0 HG SER A 65 67.249 -15.004 -0.734 1.00 0.00 H new ATOM 1040 N THR A 66 70.326 -12.715 -3.085 1.00 0.00 N ATOM 1041 CA THR A 66 70.800 -11.496 -3.732 1.00 0.00 C ATOM 1042 C THR A 66 69.759 -10.387 -3.579 1.00 0.00 C ATOM 1043 O THR A 66 68.625 -10.525 -4.040 1.00 0.00 O ATOM 1044 CB THR A 66 71.053 -11.761 -5.218 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.825 -12.945 -5.361 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.811 -10.578 -5.825 1.00 0.00 C ATOM 0 H THR A 66 69.475 -13.103 -3.493 1.00 0.00 H new ATOM 0 HA THR A 66 71.731 -11.183 -3.259 1.00 0.00 H new ATOM 0 HB THR A 66 70.101 -11.884 -5.734 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.987 -13.117 -6.312 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.992 -10.766 -6.883 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.218 -9.670 -5.714 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.764 -10.454 -5.311 1.00 0.00 H new ATOM 1054 N LEU A 67 70.145 -9.293 -2.928 1.00 0.00 N ATOM 1055 CA LEU A 67 69.230 -8.176 -2.715 1.00 0.00 C ATOM 1056 C LEU A 67 69.550 -7.019 -3.656 1.00 0.00 C ATOM 1057 O LEU A 67 70.708 -6.789 -4.001 1.00 0.00 O ATOM 1058 CB LEU A 67 69.332 -7.685 -1.267 1.00 0.00 C ATOM 1059 CG LEU A 67 68.538 -8.614 -0.349 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.140 -8.584 1.057 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.082 -8.148 -0.286 1.00 0.00 C ATOM 0 H LEU A 67 71.079 -9.156 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 67 68.218 -8.527 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.376 -7.656 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.948 -6.668 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 67 68.580 -9.630 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 67 68.572 -9.247 1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.177 -8.916 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 67 69.100 -7.568 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 67 66.516 -8.811 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.042 -7.131 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.649 -8.170 -1.286 1.00 0.00 H new ATOM 1073 N HIS A 68 68.515 -6.283 -4.053 1.00 0.00 N ATOM 1074 CA HIS A 68 68.699 -5.139 -4.937 1.00 0.00 C ATOM 1075 C HIS A 68 68.642 -3.849 -4.125 1.00 0.00 C ATOM 1076 O HIS A 68 67.955 -3.784 -3.106 1.00 0.00 O ATOM 1077 CB HIS A 68 67.610 -5.122 -6.011 1.00 0.00 C ATOM 1078 CG HIS A 68 67.779 -6.311 -6.908 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.064 -7.482 -6.716 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.578 -6.534 -8.003 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.443 -8.349 -7.672 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.364 -7.822 -8.483 1.00 0.00 N ATOM 0 H HIS A 68 67.548 -6.457 -3.778 1.00 0.00 H new ATOM 0 HA HIS A 68 69.672 -5.219 -5.422 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.624 -5.140 -5.546 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.671 -4.202 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.267 -5.818 -8.427 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.050 -9.350 -7.772 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.814 -8.268 -9.282 1.00 0.00 H new ATOM 1090 N LEU A 69 69.374 -2.829 -4.573 1.00 0.00 N ATOM 1091 CA LEU A 69 69.400 -1.550 -3.863 1.00 0.00 C ATOM 1092 C LEU A 69 69.011 -0.404 -4.785 1.00 0.00 C ATOM 1093 O LEU A 69 69.648 -0.174 -5.814 1.00 0.00 O ATOM 1094 CB LEU A 69 70.805 -1.308 -3.293 1.00 0.00 C ATOM 1095 CG LEU A 69 70.789 -0.138 -2.296 1.00 0.00 C ATOM 1096 CD1 LEU A 69 72.111 -0.109 -1.532 1.00 0.00 C ATOM 1097 CD2 LEU A 69 70.604 1.201 -3.023 1.00 0.00 C ATOM 0 H LEU A 69 69.950 -2.862 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 69 68.675 -1.591 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.163 -2.210 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.500 -1.092 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 69 69.955 -0.282 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 69 72.104 0.719 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 69 72.240 -1.047 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 69 72.934 0.021 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 69 70.596 2.012 -2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 69 71.425 1.351 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 69 69.659 1.192 -3.567 1.00 0.00 H new ATOM 1109 N VAL A 70 67.966 0.323 -4.396 1.00 0.00 N ATOM 1110 CA VAL A 70 67.494 1.461 -5.173 1.00 0.00 C ATOM 1111 C VAL A 70 67.662 2.746 -4.369 1.00 0.00 C ATOM 1112 O VAL A 70 67.524 2.745 -3.146 1.00 0.00 O ATOM 1113 CB VAL A 70 66.022 1.278 -5.547 1.00 0.00 C ATOM 1114 CG1 VAL A 70 65.668 2.214 -6.703 1.00 0.00 C ATOM 1115 CG2 VAL A 70 65.779 -0.170 -5.975 1.00 0.00 C ATOM 0 H VAL A 70 67.431 0.142 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 70 68.085 1.526 -6.087 1.00 0.00 H new ATOM 0 HB VAL A 70 65.399 1.512 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 70 64.619 2.083 -6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 70 65.839 3.247 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 70 66.293 1.980 -7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 70 64.730 -0.300 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 70 66.404 -0.404 -6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.030 -0.840 -5.152 1.00 0.00 H new ATOM 1125 N LEU A 71 67.965 3.838 -5.060 1.00 0.00 N ATOM 1126 CA LEU A 71 68.158 5.120 -4.392 1.00 0.00 C ATOM 1127 C LEU A 71 66.911 5.990 -4.509 1.00 0.00 C ATOM 1128 O LEU A 71 66.536 6.410 -5.603 1.00 0.00 O ATOM 1129 CB LEU A 71 69.353 5.854 -5.008 1.00 0.00 C ATOM 1130 CG LEU A 71 70.574 5.707 -4.095 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.818 6.216 -4.825 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.369 6.522 -2.813 1.00 0.00 C ATOM 0 H LEU A 71 68.082 3.863 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 71 68.349 4.928 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.573 5.447 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.114 6.909 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 71 70.703 4.656 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.688 6.112 -4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 71 71.971 5.633 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.683 7.266 -5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.241 6.412 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.236 7.573 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.484 6.160 -2.290 1.00 0.00 H new ATOM 1144 N ARG A 72 66.276 6.258 -3.373 1.00 0.00 N ATOM 1145 CA ARG A 72 65.074 7.082 -3.352 1.00 0.00 C ATOM 1146 C ARG A 72 65.399 8.483 -2.844 1.00 0.00 C ATOM 1147 O ARG A 72 66.213 8.650 -1.935 1.00 0.00 O ATOM 1148 CB ARG A 72 64.019 6.437 -2.452 1.00 0.00 C ATOM 1149 CG ARG A 72 62.694 7.185 -2.601 1.00 0.00 C ATOM 1150 CD ARG A 72 62.196 7.621 -1.224 1.00 0.00 C ATOM 1151 NE ARG A 72 61.928 6.452 -0.394 1.00 0.00 N ATOM 1152 CZ ARG A 72 61.829 6.551 0.928 1.00 0.00 C ATOM 1153 NH1 ARG A 72 61.592 5.488 1.646 1.00 0.00 N ATOM 1154 NH2 ARG A 72 61.968 7.712 1.507 1.00 0.00 N ATOM 0 H ARG A 72 66.573 5.918 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 72 64.685 7.159 -4.367 1.00 0.00 H new ATOM 0 HB2 ARG A 72 63.889 5.389 -2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 72 64.348 6.462 -1.413 1.00 0.00 H new ATOM 0 HG2 ARG A 72 62.826 8.055 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 72 61.954 6.544 -3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 72 62.941 8.255 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 72 61.290 8.218 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 72 61.814 5.540 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 72 61.483 4.581 1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 72 61.516 5.564 2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 72 62.153 8.543 0.945 1.00 0.00 H new ATOM 0 HH22 ARG A 72 61.892 7.788 2.521 1.00 0.00 H new ATOM 1168 N LEU A 73 64.760 9.488 -3.437 1.00 0.00 N ATOM 1169 CA LEU A 73 64.992 10.871 -3.035 1.00 0.00 C ATOM 1170 C LEU A 73 66.447 11.261 -3.273 1.00 0.00 C ATOM 1171 O LEU A 73 67.344 10.820 -2.554 1.00 0.00 O ATOM 1172 CB LEU A 73 64.647 11.054 -1.555 1.00 0.00 C ATOM 1173 CG LEU A 73 63.572 12.129 -1.410 1.00 0.00 C ATOM 1174 CD1 LEU A 73 63.171 12.257 0.061 1.00 0.00 C ATOM 1175 CD2 LEU A 73 64.120 13.470 -1.905 1.00 0.00 C ATOM 0 H LEU A 73 64.083 9.372 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 73 64.351 11.515 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.294 10.113 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.538 11.339 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 73 62.700 11.850 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.404 13.024 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.780 11.303 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 73 64.043 12.534 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 73 63.353 14.237 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.992 13.747 -1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.406 13.382 -2.953 1.00 0.00 H new ATOM 1187 N ARG A 74 66.673 12.090 -4.288 1.00 0.00 N ATOM 1188 CA ARG A 74 68.025 12.533 -4.612 1.00 0.00 C ATOM 1189 C ARG A 74 68.263 13.949 -4.097 1.00 0.00 C ATOM 1190 O ARG A 74 67.402 14.819 -4.228 1.00 0.00 O ATOM 1191 CB ARG A 74 68.236 12.497 -6.126 1.00 0.00 C ATOM 1192 CG ARG A 74 69.495 13.289 -6.486 1.00 0.00 C ATOM 1193 CD ARG A 74 70.098 12.731 -7.776 1.00 0.00 C ATOM 1194 NE ARG A 74 69.042 12.285 -8.677 1.00 0.00 N ATOM 1195 CZ ARG A 74 69.321 11.848 -9.900 1.00 0.00 C ATOM 1196 NH1 ARG A 74 68.359 11.453 -10.687 1.00 0.00 N ATOM 1197 NH2 ARG A 74 70.558 11.812 -10.314 1.00 0.00 N ATOM 0 H ARG A 74 65.945 12.466 -4.895 1.00 0.00 H new ATOM 0 HA ARG A 74 68.734 11.860 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 74 68.333 11.466 -6.466 1.00 0.00 H new ATOM 0 HB3 ARG A 74 67.370 12.920 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 74 69.250 14.343 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 74 70.221 13.226 -5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 74 70.702 13.496 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 74 70.763 11.899 -7.544 1.00 0.00 H new ATOM 0 HE ARG A 74 68.072 12.309 -8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 74 67.392 11.480 -10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 74 68.574 11.118 -11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 74 71.311 12.119 -9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 74 70.772 11.476 -11.253 1.00 0.00 H new ATOM 1211 N GLY A 75 69.435 14.172 -3.511 1.00 0.00 N ATOM 1212 CA GLY A 75 69.775 15.486 -2.980 1.00 0.00 C ATOM 1213 C GLY A 75 70.933 15.392 -1.994 1.00 0.00 C ATOM 1214 O GLY A 75 72.000 15.963 -2.218 1.00 0.00 O ATOM 0 H GLY A 75 70.160 13.465 -3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 75 70.042 16.155 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 75 68.905 15.919 -2.485 1.00 0.00 H new ATOM 1218 N GLY A 76 70.716 14.667 -0.901 1.00 0.00 N ATOM 1219 CA GLY A 76 71.750 14.506 0.114 1.00 0.00 C ATOM 1220 C GLY A 76 72.717 13.390 -0.266 1.00 0.00 C ATOM 1221 O GLY A 76 73.865 13.464 0.139 1.00 0.00 O ATOM 1222 OXT GLY A 76 72.294 12.477 -0.957 1.00 0.00 O ATOM 0 H GLY A 76 69.840 14.185 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 76 72.297 15.441 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 76 71.289 14.281 1.076 1.00 0.00 H new TER 1226 GLY A 76