USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -53:sc= 1.85 USER MOD Set 1.2: A 57 SER OG : rot -31:sc= 0.252 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.665 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.739 K(o=1.4,f=0) USER MOD Set 3.1: A 7 THR OG1 : rot 126:sc= 1.27 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.884 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 164:sc= 0.934 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 130:sc= 0.823 USER MOD Single : A 1 MET CE :methyl 176:sc= -0.0429 (180deg=-0.051) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.2 (180deg=1.96) USER MOD Single : A 2 GLN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 1.2 (180deg=0.301) USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.0865 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= 1.14 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.398 K(o=-0.4,f=-0.98) USER MOD Single : A 33 LYS NZ :NH3+ -112:sc= 0.575 (180deg=-0.158) USER MOD Single : A 40 GLN : amide:sc= -0.507 K(o=-0.51,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 1.15 K(o=1.1,f=-3.1) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0101) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.223 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.051) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -120:sc= 0.255 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0293 X(o=0.029,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.372 -7.610 -5.032 1.00 9.67 N ATOM 2 CA MET A 1 11.273 -7.884 -3.565 1.00 10.38 C ATOM 3 C MET A 1 9.841 -8.073 -3.147 1.00 9.62 C ATOM 4 O MET A 1 8.905 -7.758 -3.858 1.00 9.62 O ATOM 5 CB MET A 1 11.895 -6.641 -2.747 1.00 13.77 C ATOM 6 CG MET A 1 11.090 -5.307 -2.856 1.00 16.29 C ATOM 7 SD MET A 1 11.807 -3.985 -2.026 1.00 17.17 S ATOM 8 CE MET A 1 10.368 -2.960 -1.821 1.00 16.11 C ATOM 0 H1 MET A 1 12.371 -7.618 -5.320 1.00 9.67 H new ATOM 0 H2 MET A 1 10.854 -8.343 -5.558 1.00 9.67 H new ATOM 0 H3 MET A 1 10.959 -6.678 -5.240 1.00 9.67 H new ATOM 0 HA MET A 1 11.826 -8.798 -3.349 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.968 -6.918 -1.695 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.911 -6.464 -3.101 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.982 -5.046 -3.909 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.086 -5.468 -2.463 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.629 -2.080 -1.234 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.001 -2.648 -2.799 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.591 -3.523 -1.304 1.00 16.11 H new ATOM 20 N GLN A 2 9.534 -8.697 -1.994 1.00 9.27 N ATOM 21 CA GLN A 2 8.140 -8.968 -1.516 1.00 9.07 C ATOM 22 C GLN A 2 7.787 -7.918 -0.539 1.00 8.72 C ATOM 23 O GLN A 2 8.639 -7.442 0.204 1.00 8.22 O ATOM 24 CB GLN A 2 8.073 -10.308 -0.663 1.00 14.46 C ATOM 25 CG GLN A 2 8.334 -11.572 -1.543 1.00 17.01 C ATOM 26 CD GLN A 2 7.325 -12.018 -2.613 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.632 -13.053 -2.497 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.293 -11.262 -3.735 1.00 19.49 N ATOM 0 H GLN A 2 10.248 -9.037 -1.350 1.00 9.27 H new ATOM 0 HA GLN A 2 7.493 -9.017 -2.392 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.810 -10.265 0.139 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.094 -10.390 -0.192 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.287 -11.417 -2.049 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.468 -12.412 -0.862 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.869 -10.423 -3.801 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.693 -11.531 -4.514 1.00 19.49 H new ATOM 37 N ILE A 3 6.549 -7.513 -0.430 1.00 5.87 N ATOM 38 CA ILE A 3 5.996 -6.754 0.662 1.00 5.07 C ATOM 39 C ILE A 3 4.694 -7.351 1.156 1.00 4.01 C ATOM 40 O ILE A 3 4.023 -8.017 0.365 1.00 4.61 O ATOM 41 CB ILE A 3 5.858 -5.267 0.358 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.905 -4.991 -0.806 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.275 -4.762 0.118 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.770 -3.506 -1.184 1.00 10.83 C ATOM 0 H ILE A 3 5.855 -7.718 -1.148 1.00 5.87 H new ATOM 0 HA ILE A 3 6.722 -6.824 1.472 1.00 5.07 H new ATOM 0 HB ILE A 3 5.399 -4.731 1.189 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.249 -5.545 -1.679 1.00 4.72 H new ATOM 0 HG13 ILE A 3 3.919 -5.379 -0.551 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.248 -3.696 -0.107 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.877 -4.930 1.011 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.715 -5.299 -0.722 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.075 -3.404 -2.018 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.394 -2.945 -0.328 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.745 -3.114 -1.474 1.00 10.83 H new ATOM 56 N PHE A 4 4.271 -7.099 2.438 1.00 4.55 N ATOM 57 CA PHE A 4 3.111 -7.693 3.044 1.00 4.68 C ATOM 58 C PHE A 4 2.059 -6.646 3.454 1.00 5.30 C ATOM 59 O PHE A 4 2.274 -5.724 4.240 1.00 5.58 O ATOM 60 CB PHE A 4 3.468 -8.498 4.358 1.00 4.83 C ATOM 61 CG PHE A 4 4.555 -9.550 4.208 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.406 -10.491 3.154 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.612 -9.750 5.023 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.237 -11.650 2.999 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.511 -10.820 4.846 1.00 10.61 C ATOM 66 CZ PHE A 4 6.351 -11.748 3.866 1.00 8.90 C ATOM 0 H PHE A 4 4.763 -6.458 3.061 1.00 4.55 H new ATOM 0 HA PHE A 4 2.714 -8.357 2.276 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.778 -7.788 5.125 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.563 -8.985 4.721 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.623 -10.324 2.429 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.775 -9.064 5.841 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.024 -12.408 2.260 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.357 -10.906 5.512 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.065 -12.550 3.750 1.00 8.90 H new ATOM 76 N VAL A 5 0.857 -6.776 2.927 1.00 4.44 N ATOM 77 CA VAL A 5 -0.235 -5.860 3.115 1.00 3.87 C ATOM 78 C VAL A 5 -1.230 -6.383 4.151 1.00 4.93 C ATOM 79 O VAL A 5 -1.878 -7.365 3.778 1.00 6.84 O ATOM 80 CB VAL A 5 -0.894 -5.437 1.819 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.782 -4.212 2.102 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.164 -5.167 0.746 1.00 9.13 C ATOM 0 H VAL A 5 0.611 -7.564 2.328 1.00 4.44 H new ATOM 0 HA VAL A 5 0.193 -4.943 3.520 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.526 -6.235 1.429 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.266 -3.892 1.179 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.542 -4.476 2.838 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.168 -3.399 2.490 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.326 -4.864 -0.180 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.829 -4.371 1.082 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.743 -6.073 0.570 1.00 9.13 H new ATOM 92 N LYS A 6 -1.418 -5.751 5.332 1.00 6.04 N ATOM 93 CA LYS A 6 -2.348 -6.291 6.315 1.00 6.12 C ATOM 94 C LYS A 6 -3.698 -5.647 6.202 1.00 6.57 C ATOM 95 O LYS A 6 -3.918 -4.501 6.544 1.00 5.76 O ATOM 96 CB LYS A 6 -1.828 -6.006 7.750 1.00 7.45 C ATOM 97 CG LYS A 6 -0.430 -6.712 7.929 1.00 11.12 C ATOM 98 CD LYS A 6 -0.413 -8.258 8.052 1.00 14.54 C ATOM 99 CE LYS A 6 0.999 -8.871 8.166 1.00 18.84 C ATOM 100 NZ LYS A 6 0.893 -10.375 8.409 1.00 20.55 N ATOM 0 H LYS A 6 -0.946 -4.891 5.611 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.428 -7.361 6.125 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.733 -4.932 7.911 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.537 -6.378 8.490 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.196 -6.436 7.080 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.042 -6.300 8.821 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.994 -8.547 8.928 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.913 -8.685 7.183 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.563 -8.680 7.253 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.545 -8.399 8.983 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.812 -10.823 8.217 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.623 -10.549 9.398 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.172 -10.779 7.777 1.00 20.55 H new ATOM 114 N THR A 7 -4.721 -6.350 5.668 1.00 7.41 N ATOM 115 CA THR A 7 -6.141 -6.018 5.588 1.00 7.48 C ATOM 116 C THR A 7 -6.795 -5.889 6.982 1.00 8.75 C ATOM 117 O THR A 7 -6.309 -6.578 7.888 1.00 8.58 O ATOM 118 CB THR A 7 -7.056 -6.768 4.604 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.493 -8.002 5.120 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.164 -7.083 3.378 1.00 9.17 C ATOM 0 H THR A 7 -4.542 -7.258 5.240 1.00 7.41 H new ATOM 0 HA THR A 7 -6.071 -5.046 5.099 1.00 7.48 H new ATOM 0 HB THR A 7 -7.935 -6.162 4.385 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.471 -8.046 5.079 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.749 -7.619 2.631 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.793 -6.152 2.949 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.321 -7.700 3.690 1.00 9.17 H new ATOM 128 N LEU A 8 -7.799 -5.029 7.154 1.00 9.84 N ATOM 129 CA LEU A 8 -8.605 -4.858 8.385 1.00 14.15 C ATOM 130 C LEU A 8 -9.509 -6.075 8.539 1.00 17.37 C ATOM 131 O LEU A 8 -9.887 -6.422 9.661 1.00 17.01 O ATOM 132 CB LEU A 8 -9.401 -3.566 8.373 1.00 16.63 C ATOM 133 CG LEU A 8 -8.584 -2.222 8.310 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.486 -0.994 8.023 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.818 -1.966 9.639 1.00 18.59 C ATOM 0 H LEU A 8 -8.095 -4.398 6.409 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.937 -4.785 9.244 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.076 -3.592 7.517 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.022 -3.543 9.268 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.879 -2.341 7.487 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.874 -0.093 7.990 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.988 -1.127 7.065 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.231 -0.897 8.813 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.263 -1.031 9.565 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.529 -1.902 10.462 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.124 -2.786 9.823 1.00 18.59 H new ATOM 147 N THR A 9 -9.749 -6.820 7.459 1.00 18.33 N ATOM 148 CA THR A 9 -10.566 -8.074 7.418 1.00 19.24 C ATOM 149 C THR A 9 -9.680 -9.260 7.700 1.00 19.48 C ATOM 150 O THR A 9 -10.104 -10.364 7.684 1.00 23.14 O ATOM 151 CB THR A 9 -11.223 -8.270 6.064 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.308 -8.125 4.994 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.289 -7.230 5.874 1.00 19.70 C ATOM 0 H THR A 9 -9.373 -6.573 6.544 1.00 18.33 H new ATOM 0 HA THR A 9 -11.347 -7.986 8.173 1.00 19.24 H new ATOM 0 HB THR A 9 -11.627 -9.282 6.054 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.775 -8.261 4.143 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.763 -7.368 4.902 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.038 -7.329 6.660 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.841 -6.237 5.922 1.00 19.70 H new ATOM 161 N GLY A 10 -8.367 -9.125 8.060 1.00 19.43 N ATOM 162 CA GLY A 10 -7.515 -10.163 8.561 1.00 18.74 C ATOM 163 C GLY A 10 -6.746 -11.004 7.573 1.00 17.62 C ATOM 164 O GLY A 10 -6.015 -11.905 7.978 1.00 19.74 O ATOM 0 H GLY A 10 -7.884 -8.229 7.991 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.794 -9.702 9.236 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.129 -10.835 9.161 1.00 18.74 H new ATOM 168 N LYS A 11 -6.814 -10.689 6.273 1.00 13.56 N ATOM 169 CA LYS A 11 -5.983 -11.352 5.234 1.00 11.91 C ATOM 170 C LYS A 11 -4.603 -10.619 5.217 1.00 10.18 C ATOM 171 O LYS A 11 -4.412 -9.477 5.606 1.00 9.10 O ATOM 172 CB LYS A 11 -6.694 -11.379 3.838 1.00 13.43 C ATOM 173 CG LYS A 11 -6.064 -12.496 2.954 1.00 16.69 C ATOM 174 CD LYS A 11 -6.467 -12.312 1.545 1.00 17.92 C ATOM 175 CE LYS A 11 -7.980 -12.366 1.300 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.198 -12.655 -0.130 1.00 21.93 N ATOM 0 H LYS A 11 -7.440 -9.973 5.903 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.831 -12.405 5.472 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.761 -11.560 3.965 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.591 -10.411 3.347 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.978 -12.467 3.037 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.385 -13.476 3.308 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.090 -11.351 1.196 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.987 -13.081 0.940 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.439 -13.136 1.919 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.445 -11.419 1.573 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.155 -12.354 -0.403 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.498 -12.138 -0.699 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.095 -13.676 -0.297 1.00 21.93 H new ATOM 190 N THR A 12 -3.564 -11.336 4.750 1.00 9.63 N ATOM 191 CA THR A 12 -2.295 -10.729 4.437 1.00 9.85 C ATOM 192 C THR A 12 -2.108 -10.875 2.922 1.00 11.66 C ATOM 193 O THR A 12 -2.287 -11.988 2.447 1.00 12.33 O ATOM 194 CB THR A 12 -1.063 -11.423 5.147 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.158 -11.215 6.548 1.00 10.91 O ATOM 196 CG2 THR A 12 0.227 -10.787 4.667 1.00 9.63 C ATOM 0 H THR A 12 -3.598 -12.342 4.587 1.00 9.63 H new ATOM 0 HA THR A 12 -2.317 -9.696 4.785 1.00 9.85 H new ATOM 0 HB THR A 12 -1.069 -12.487 4.912 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.052 -12.071 7.014 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.074 -11.267 5.158 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.315 -10.912 3.588 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.221 -9.724 4.910 1.00 9.63 H new ATOM 204 N ILE A 13 -1.883 -9.750 2.228 1.00 10.42 N ATOM 205 CA ILE A 13 -1.658 -9.793 0.792 1.00 11.84 C ATOM 206 C ILE A 13 -0.113 -9.782 0.657 1.00 10.55 C ATOM 207 O ILE A 13 0.565 -9.058 1.352 1.00 11.92 O ATOM 208 CB ILE A 13 -2.148 -8.575 0.024 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.472 -8.012 0.566 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.209 -8.902 -1.468 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.063 -6.825 -0.209 1.00 16.46 C ATOM 0 H ILE A 13 -1.854 -8.816 2.638 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.191 -10.653 0.386 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.429 -7.769 0.171 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.208 -8.816 0.578 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.318 -7.705 1.600 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.560 -8.029 -2.018 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.215 -9.178 -1.821 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.895 -9.733 -1.631 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.995 -6.511 0.262 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.355 -5.996 -0.201 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.259 -7.124 -1.239 1.00 16.46 H new ATOM 223 N THR A 14 0.418 -10.579 -0.269 1.00 9.39 N ATOM 224 CA THR A 14 1.854 -10.409 -0.545 1.00 9.63 C ATOM 225 C THR A 14 2.013 -9.889 -1.977 1.00 11.20 C ATOM 226 O THR A 14 1.301 -10.309 -2.876 1.00 11.63 O ATOM 227 CB THR A 14 2.607 -11.752 -0.383 1.00 10.38 C ATOM 228 OG1 THR A 14 2.412 -12.377 0.870 1.00 16.30 O ATOM 229 CG2 THR A 14 4.082 -11.407 -0.580 1.00 11.66 C ATOM 0 H THR A 14 -0.071 -11.295 -0.806 1.00 9.39 H new ATOM 0 HA THR A 14 2.279 -9.699 0.164 1.00 9.63 H new ATOM 0 HB THR A 14 2.229 -12.474 -1.107 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.089 -12.059 1.503 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.684 -12.310 -0.480 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.227 -10.983 -1.574 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.390 -10.681 0.173 1.00 11.66 H new ATOM 237 N LEU A 15 2.987 -8.992 -2.274 1.00 8.29 N ATOM 238 CA LEU A 15 3.130 -8.450 -3.646 1.00 9.03 C ATOM 239 C LEU A 15 4.557 -8.405 -4.038 1.00 8.59 C ATOM 240 O LEU A 15 5.420 -8.327 -3.156 1.00 7.79 O ATOM 241 CB LEU A 15 2.653 -6.882 -3.741 1.00 11.08 C ATOM 242 CG LEU A 15 1.371 -6.455 -2.990 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.249 -4.938 -2.916 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.055 -6.994 -3.618 1.00 15.27 C ATOM 0 H LEU A 15 3.667 -8.637 -1.602 1.00 8.29 H new ATOM 0 HA LEU A 15 2.525 -9.100 -4.278 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.473 -6.263 -3.376 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.516 -6.640 -4.795 1.00 11.08 H new ATOM 0 HG LEU A 15 1.486 -6.894 -1.999 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.337 -4.672 -2.382 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.111 -4.529 -2.389 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.212 -4.526 -3.925 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.796 -6.649 -3.031 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.037 -6.628 -4.641 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.074 -8.084 -3.623 1.00 15.27 H new ATOM 256 N GLU A 16 4.880 -8.514 -5.391 1.00 11.04 N ATOM 257 CA GLU A 16 6.247 -8.367 -5.914 1.00 11.50 C ATOM 258 C GLU A 16 6.454 -6.908 -6.336 1.00 10.13 C ATOM 259 O GLU A 16 5.527 -6.357 -6.921 1.00 9.83 O ATOM 260 CB GLU A 16 6.516 -9.398 -7.083 1.00 17.22 C ATOM 261 CG GLU A 16 7.859 -9.534 -7.848 1.00 23.33 C ATOM 262 CD GLU A 16 8.951 -9.938 -6.936 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.902 -10.998 -6.252 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.957 -9.196 -6.929 1.00 28.86 O ATOM 0 H GLU A 16 4.186 -8.704 -6.114 1.00 11.04 H new ATOM 0 HA GLU A 16 6.979 -8.602 -5.141 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.304 -10.384 -6.670 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.757 -9.200 -7.840 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.755 -10.271 -8.645 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.109 -8.585 -8.322 1.00 23.33 H new ATOM 271 N VAL A 17 7.556 -6.272 -5.906 1.00 8.99 N ATOM 272 CA VAL A 17 7.772 -4.872 -6.130 1.00 8.85 C ATOM 273 C VAL A 17 9.192 -4.669 -6.295 1.00 8.04 C ATOM 274 O VAL A 17 10.031 -5.556 -6.073 1.00 8.99 O ATOM 275 CB VAL A 17 7.248 -4.045 -4.987 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.767 -3.727 -5.218 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.597 -4.634 -3.652 1.00 10.54 C ATOM 0 H VAL A 17 8.310 -6.732 -5.396 1.00 8.99 H new ATOM 0 HA VAL A 17 7.233 -4.554 -7.022 1.00 8.85 H new ATOM 0 HB VAL A 17 7.755 -3.080 -4.960 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.390 -3.128 -4.389 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.655 -3.170 -6.148 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.201 -4.656 -5.281 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.197 -4.001 -2.859 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.167 -5.632 -3.571 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.681 -4.697 -3.554 1.00 10.54 H new ATOM 287 N GLU A 18 9.595 -3.498 -6.871 1.00 7.29 N ATOM 288 CA GLU A 18 10.938 -2.990 -6.793 1.00 7.08 C ATOM 289 C GLU A 18 10.907 -1.770 -5.869 1.00 6.45 C ATOM 290 O GLU A 18 9.816 -1.172 -5.737 1.00 5.28 O ATOM 291 CB GLU A 18 11.488 -2.635 -8.194 1.00 10.28 C ATOM 292 CG GLU A 18 11.600 -3.836 -9.180 1.00 12.65 C ATOM 293 CD GLU A 18 12.647 -4.807 -8.715 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.910 -4.525 -8.919 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.384 -5.829 -8.051 1.00 14.33 O ATOM 0 H GLU A 18 8.965 -2.897 -7.402 1.00 7.29 H new ATOM 0 HA GLU A 18 11.611 -3.747 -6.392 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.844 -1.877 -8.640 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.475 -2.186 -8.078 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.637 -4.341 -9.257 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.850 -3.473 -10.177 1.00 12.65 H new ATOM 302 N PRO A 19 12.022 -1.450 -5.216 1.00 7.24 N ATOM 303 CA PRO A 19 12.162 -0.208 -4.358 1.00 7.07 C ATOM 304 C PRO A 19 11.696 1.061 -5.057 1.00 6.65 C ATOM 305 O PRO A 19 11.256 2.017 -4.396 1.00 6.37 O ATOM 306 CB PRO A 19 13.621 -0.210 -3.993 1.00 7.61 C ATOM 307 CG PRO A 19 14.202 -1.620 -4.155 1.00 8.16 C ATOM 308 CD PRO A 19 13.299 -2.177 -5.336 1.00 7.49 C ATOM 0 HA PRO A 19 11.519 -0.223 -3.478 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.164 0.491 -4.628 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.747 0.128 -2.964 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.260 -1.604 -4.416 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.107 -2.214 -3.246 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.764 -2.000 -6.306 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.151 -3.253 -5.245 1.00 7.49 H new ATOM 316 N SER A 20 11.812 1.207 -6.407 1.00 6.80 N ATOM 317 CA SER A 20 11.497 2.508 -7.073 1.00 6.28 C ATOM 318 C SER A 20 10.084 2.671 -7.474 1.00 8.45 C ATOM 319 O SER A 20 9.733 3.600 -8.196 1.00 7.26 O ATOM 320 CB SER A 20 12.312 2.701 -8.336 1.00 8.57 C ATOM 321 OG SER A 20 13.650 2.829 -7.874 1.00 11.13 O ATOM 0 H SER A 20 12.112 0.466 -7.041 1.00 6.80 H new ATOM 0 HA SER A 20 11.739 3.244 -6.306 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.204 1.853 -9.013 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.993 3.588 -8.883 1.00 8.57 H new ATOM 0 HG SER A 20 14.249 2.957 -8.639 1.00 11.13 H new ATOM 327 N ASP A 21 9.214 1.708 -7.067 1.00 7.50 N ATOM 328 CA ASP A 21 7.790 1.693 -7.382 1.00 7.70 C ATOM 329 C ASP A 21 6.984 2.593 -6.477 1.00 7.08 C ATOM 330 O ASP A 21 7.193 2.618 -5.240 1.00 8.11 O ATOM 331 CB ASP A 21 7.158 0.300 -7.453 1.00 11.00 C ATOM 332 CG ASP A 21 7.673 -0.459 -8.625 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.433 0.041 -9.748 1.00 18.03 O ATOM 334 OD2 ASP A 21 8.137 -1.611 -8.500 1.00 14.36 O ATOM 0 H ASP A 21 9.505 0.912 -6.500 1.00 7.50 H new ATOM 0 HA ASP A 21 7.751 2.092 -8.395 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.374 -0.249 -6.536 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.074 0.391 -7.522 1.00 11.00 H new ATOM 339 N THR A 22 6.091 3.436 -7.048 1.00 5.37 N ATOM 340 CA THR A 22 5.210 4.314 -6.273 1.00 6.01 C ATOM 341 C THR A 22 3.998 3.755 -5.489 1.00 8.01 C ATOM 342 O THR A 22 3.487 2.626 -5.733 1.00 8.11 O ATOM 343 CB THR A 22 4.749 5.481 -7.069 1.00 8.92 C ATOM 344 OG1 THR A 22 3.854 5.084 -8.110 1.00 10.22 O ATOM 345 CG2 THR A 22 5.878 6.272 -7.792 1.00 9.65 C ATOM 0 H THR A 22 5.968 3.519 -8.057 1.00 5.37 H new ATOM 0 HA THR A 22 5.912 4.563 -5.477 1.00 6.01 H new ATOM 0 HB THR A 22 4.281 6.116 -6.317 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.568 5.874 -8.614 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.442 7.104 -8.346 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.583 6.656 -7.055 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.401 5.610 -8.483 1.00 9.65 H new ATOM 353 N ILE A 23 3.461 4.498 -4.450 1.00 8.32 N ATOM 354 CA ILE A 23 2.256 4.029 -3.649 1.00 9.92 C ATOM 355 C ILE A 23 1.032 3.797 -4.518 1.00 10.01 C ATOM 356 O ILE A 23 0.248 2.829 -4.342 1.00 8.71 O ATOM 357 CB ILE A 23 1.957 4.932 -2.433 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.204 5.509 -1.639 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.034 4.199 -1.473 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.210 4.431 -1.200 1.00 12.30 C ATOM 0 H ILE A 23 3.831 5.401 -4.153 1.00 8.32 H new ATOM 0 HA ILE A 23 2.528 3.056 -3.240 1.00 9.92 H new ATOM 0 HB ILE A 23 1.489 5.816 -2.866 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.717 6.238 -2.266 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.847 6.041 -0.757 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.822 4.836 -0.614 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.101 3.953 -1.981 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.515 3.282 -1.135 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.035 4.900 -0.663 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.713 3.714 -0.547 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.596 3.914 -2.079 1.00 12.30 H new ATOM 372 N GLU A 24 0.901 4.688 -5.529 1.00 9.54 N ATOM 373 CA GLU A 24 -0.071 4.500 -6.617 1.00 11.81 C ATOM 374 C GLU A 24 -0.005 3.113 -7.269 1.00 11.14 C ATOM 375 O GLU A 24 -1.044 2.418 -7.364 1.00 10.62 O ATOM 376 CB GLU A 24 0.174 5.635 -7.696 1.00 19.24 C ATOM 377 CG GLU A 24 -0.762 5.585 -8.902 1.00 27.76 C ATOM 378 CD GLU A 24 -0.610 6.766 -9.842 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.511 6.973 -10.350 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.610 7.532 -10.031 1.00 34.80 O ATOM 0 H GLU A 24 1.457 5.539 -5.608 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.072 4.570 -6.190 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.068 6.606 -7.212 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.203 5.565 -8.049 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.577 4.665 -9.456 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.793 5.543 -8.549 1.00 27.76 H new ATOM 387 N ASN A 25 1.170 2.636 -7.632 1.00 9.43 N ATOM 388 CA ASN A 25 1.438 1.388 -8.260 1.00 10.96 C ATOM 389 C ASN A 25 1.476 0.199 -7.317 1.00 9.68 C ATOM 390 O ASN A 25 1.334 -0.950 -7.752 1.00 9.33 O ATOM 391 CB ASN A 25 2.751 1.477 -9.006 1.00 16.78 C ATOM 392 CG ASN A 25 2.567 2.197 -10.365 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.223 1.566 -11.348 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.768 3.528 -10.335 1.00 24.70 N ATOM 0 H ASN A 25 2.025 3.170 -7.475 1.00 9.43 H new ATOM 0 HA ASN A 25 0.602 1.207 -8.936 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.482 2.014 -8.401 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.149 0.476 -9.171 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.632 4.084 -11.180 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.056 3.981 -9.468 1.00 24.70 H new ATOM 401 N VAL A 26 1.592 0.444 -5.968 1.00 6.52 N ATOM 402 CA VAL A 26 1.488 -0.584 -4.860 1.00 5.53 C ATOM 403 C VAL A 26 -0.005 -0.906 -4.739 1.00 4.42 C ATOM 404 O VAL A 26 -0.428 -2.080 -4.750 1.00 3.40 O ATOM 405 CB VAL A 26 2.016 -0.110 -3.565 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.719 -1.021 -2.386 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.602 -0.051 -3.642 1.00 8.12 C ATOM 0 H VAL A 26 1.765 1.383 -5.608 1.00 6.52 H new ATOM 0 HA VAL A 26 2.093 -1.456 -5.108 1.00 5.53 H new ATOM 0 HB VAL A 26 1.531 0.853 -3.402 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.145 -0.592 -1.479 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.640 -1.123 -2.268 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.159 -2.002 -2.565 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.000 0.298 -2.689 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.993 -1.046 -3.856 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.903 0.635 -4.434 1.00 8.12 H new ATOM 417 N LYS A 27 -0.875 0.140 -4.625 1.00 2.64 N ATOM 418 CA LYS A 27 -2.334 0.029 -4.676 1.00 4.14 C ATOM 419 C LYS A 27 -2.913 -0.649 -5.896 1.00 5.58 C ATOM 420 O LYS A 27 -3.902 -1.349 -5.857 1.00 4.11 O ATOM 421 CB LYS A 27 -2.968 1.438 -4.577 1.00 3.97 C ATOM 422 CG LYS A 27 -2.808 1.982 -3.130 1.00 7.45 C ATOM 423 CD LYS A 27 -3.501 3.356 -2.967 1.00 9.02 C ATOM 424 CE LYS A 27 -2.682 4.564 -3.374 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.324 5.849 -3.396 1.00 15.47 N ATOM 0 H LYS A 27 -0.556 1.100 -4.492 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.578 -0.613 -3.829 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.489 2.114 -5.285 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.024 1.392 -4.844 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.234 1.271 -2.422 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.749 2.075 -2.889 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.419 3.350 -3.554 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.791 3.473 -1.923 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.830 4.630 -2.698 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.284 4.375 -4.371 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.604 6.595 -3.475 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.968 5.902 -4.211 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.866 5.982 -2.518 1.00 15.47 H new ATOM 439 N ALA A 28 -2.244 -0.525 -7.042 1.00 6.61 N ATOM 440 CA ALA A 28 -2.641 -1.255 -8.209 1.00 7.74 C ATOM 441 C ALA A 28 -2.485 -2.703 -8.087 1.00 9.17 C ATOM 442 O ALA A 28 -3.389 -3.471 -8.492 1.00 11.45 O ATOM 443 CB ALA A 28 -1.878 -0.720 -9.451 1.00 7.68 C ATOM 0 H ALA A 28 -1.430 0.076 -7.171 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.711 -1.088 -8.329 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.184 -1.279 -10.335 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.108 0.336 -9.592 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.805 -0.841 -9.299 1.00 7.68 H new ATOM 449 N LYS A 29 -1.375 -3.099 -7.450 1.00 8.96 N ATOM 450 CA LYS A 29 -0.941 -4.465 -7.243 1.00 7.90 C ATOM 451 C LYS A 29 -1.832 -5.191 -6.294 1.00 6.92 C ATOM 452 O LYS A 29 -2.323 -6.274 -6.500 1.00 6.87 O ATOM 453 CB LYS A 29 0.541 -4.514 -6.850 1.00 10.28 C ATOM 454 CG LYS A 29 1.498 -4.182 -8.027 1.00 14.94 C ATOM 455 CD LYS A 29 2.954 -3.953 -7.632 1.00 19.69 C ATOM 456 CE LYS A 29 3.729 -3.298 -8.796 1.00 22.63 C ATOM 457 NZ LYS A 29 4.227 -4.349 -9.739 1.00 24.98 N ATOM 0 H LYS A 29 -0.725 -2.425 -7.046 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.028 -5.000 -8.189 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.718 -3.810 -6.037 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.776 -5.508 -6.468 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.458 -4.998 -8.749 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.130 -3.289 -8.533 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.002 -3.315 -6.750 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.419 -4.902 -7.365 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.082 -2.600 -9.327 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.568 -2.722 -8.406 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.747 -3.898 -10.518 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.860 -4.999 -9.231 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.420 -4.881 -10.123 1.00 24.98 H new ATOM 471 N ILE A 30 -2.279 -4.450 -5.277 1.00 4.57 N ATOM 472 CA ILE A 30 -3.381 -4.747 -4.329 1.00 5.58 C ATOM 473 C ILE A 30 -4.781 -4.840 -5.051 1.00 7.26 C ATOM 474 O ILE A 30 -5.583 -5.719 -4.681 1.00 9.46 O ATOM 475 CB ILE A 30 -3.514 -3.708 -3.196 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.220 -3.540 -2.372 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.681 -4.001 -2.216 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.215 -2.348 -1.405 1.00 2.00 C ATOM 0 H ILE A 30 -1.850 -3.548 -5.069 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.108 -5.711 -3.900 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.727 -2.780 -3.727 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.050 -4.453 -1.800 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.381 -3.434 -3.060 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.713 -3.229 -1.447 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.623 -4.006 -2.764 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.528 -4.973 -1.748 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.264 -2.315 -0.873 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.349 -1.423 -1.967 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.029 -2.458 -0.688 1.00 2.00 H new ATOM 490 N GLN A 31 -5.155 -3.965 -6.006 1.00 7.06 N ATOM 491 CA GLN A 31 -6.344 -4.091 -6.797 1.00 8.67 C ATOM 492 C GLN A 31 -6.352 -5.385 -7.547 1.00 10.90 C ATOM 493 O GLN A 31 -7.313 -6.131 -7.712 1.00 9.63 O ATOM 494 CB GLN A 31 -6.476 -2.874 -7.740 1.00 9.12 C ATOM 495 CG GLN A 31 -7.853 -2.823 -8.455 1.00 10.76 C ATOM 496 CD GLN A 31 -7.792 -1.819 -9.705 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.801 -1.212 -10.030 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.912 -1.876 -10.465 1.00 14.76 N ATOM 0 H GLN A 31 -4.607 -3.136 -6.236 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.213 -4.103 -6.139 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.333 -1.958 -7.167 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.683 -2.910 -8.487 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.132 -3.821 -8.794 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.622 -2.497 -7.755 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.722 -2.405 -10.141 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.945 -1.390 -11.361 1.00 14.76 H new ATOM 507 N ASP A 32 -5.198 -5.678 -8.234 1.00 10.93 N ATOM 508 CA ASP A 32 -5.084 -6.882 -9.056 1.00 14.01 C ATOM 509 C ASP A 32 -5.318 -8.201 -8.330 1.00 14.04 C ATOM 510 O ASP A 32 -6.096 -9.040 -8.780 1.00 13.39 O ATOM 511 CB ASP A 32 -3.649 -6.850 -9.628 1.00 18.01 C ATOM 512 CG ASP A 32 -3.541 -7.605 -10.994 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.123 -7.084 -11.959 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.867 -8.647 -11.058 1.00 25.17 O ATOM 0 H ASP A 32 -4.362 -5.094 -8.221 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.871 -6.858 -9.810 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.336 -5.815 -9.761 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.963 -7.301 -8.910 1.00 18.01 H new ATOM 519 N LYS A 33 -4.703 -8.306 -7.132 1.00 14.22 N ATOM 520 CA LYS A 33 -4.969 -9.349 -6.136 1.00 14.00 C ATOM 521 C LYS A 33 -6.343 -9.403 -5.560 1.00 12.37 C ATOM 522 O LYS A 33 -6.972 -10.472 -5.585 1.00 12.17 O ATOM 523 CB LYS A 33 -3.933 -9.139 -4.965 1.00 18.62 C ATOM 524 CG LYS A 33 -2.481 -9.223 -5.290 1.00 24.00 C ATOM 525 CD LYS A 33 -1.908 -10.609 -5.028 1.00 27.61 C ATOM 526 CE LYS A 33 -0.402 -10.689 -5.260 1.00 27.64 C ATOM 527 NZ LYS A 33 0.036 -12.001 -4.751 1.00 30.06 N ATOM 0 H LYS A 33 -3.988 -7.645 -6.829 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.871 -10.298 -6.664 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.120 -8.159 -4.526 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.146 -9.880 -4.194 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.330 -8.962 -6.338 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.935 -8.489 -4.697 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.127 -10.897 -4.000 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.408 -11.330 -5.675 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.168 -10.587 -6.320 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.113 -9.881 -4.741 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.630 -11.866 -3.908 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.797 -12.571 -4.499 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.584 -12.493 -5.486 1.00 30.06 H new ATOM 541 N GLU A 34 -6.896 -8.344 -5.019 1.00 10.11 N ATOM 542 CA GLU A 34 -8.068 -8.398 -4.150 1.00 10.07 C ATOM 543 C GLU A 34 -9.203 -7.664 -4.733 1.00 9.32 C ATOM 544 O GLU A 34 -10.240 -7.649 -4.133 1.00 11.61 O ATOM 545 CB GLU A 34 -7.743 -7.693 -2.816 1.00 14.77 C ATOM 546 CG GLU A 34 -6.751 -8.497 -1.912 1.00 18.75 C ATOM 547 CD GLU A 34 -7.440 -9.752 -1.419 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.410 -9.661 -0.629 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.944 -10.873 -1.789 1.00 25.19 O ATOM 0 H GLU A 34 -6.544 -7.398 -5.168 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.325 -9.449 -4.016 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.317 -6.712 -3.027 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.670 -7.527 -2.267 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.854 -8.756 -2.475 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.432 -7.886 -1.068 1.00 18.75 H new ATOM 556 N GLY A 35 -9.120 -6.988 -5.875 1.00 7.22 N ATOM 557 CA GLY A 35 -10.345 -6.351 -6.427 1.00 6.29 C ATOM 558 C GLY A 35 -10.743 -5.029 -5.744 1.00 6.93 C ATOM 559 O GLY A 35 -11.793 -4.473 -6.060 1.00 7.41 O ATOM 0 H GLY A 35 -8.270 -6.861 -6.425 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.194 -6.164 -7.490 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.174 -7.053 -6.341 1.00 6.29 H new ATOM 563 N ILE A 36 -10.002 -4.472 -4.801 1.00 5.86 N ATOM 564 CA ILE A 36 -10.217 -3.200 -4.164 1.00 6.07 C ATOM 565 C ILE A 36 -9.748 -2.036 -5.040 1.00 6.36 C ATOM 566 O ILE A 36 -8.522 -1.916 -5.303 1.00 6.18 O ATOM 567 CB ILE A 36 -9.605 -3.040 -2.782 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.756 -4.245 -1.788 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.163 -1.828 -2.049 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.691 -4.287 -0.706 1.00 9.49 C ATOM 0 H ILE A 36 -9.172 -4.941 -4.439 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.299 -3.177 -4.031 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.548 -2.946 -3.033 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.737 -4.194 -1.316 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.723 -5.176 -2.353 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.698 -1.752 -1.066 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.949 -0.926 -2.622 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.241 -1.937 -1.933 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.863 -5.147 -0.059 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.707 -4.371 -1.167 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.738 -3.373 -0.114 1.00 9.49 H new ATOM 582 N PRO A 37 -10.560 -1.108 -5.521 1.00 8.65 N ATOM 583 CA PRO A 37 -10.204 0.069 -6.397 1.00 9.18 C ATOM 584 C PRO A 37 -9.195 0.989 -5.726 1.00 9.85 C ATOM 585 O PRO A 37 -9.571 1.335 -4.613 1.00 8.51 O ATOM 586 CB PRO A 37 -11.493 0.832 -6.526 1.00 11.42 C ATOM 587 CG PRO A 37 -12.596 -0.245 -6.463 1.00 9.27 C ATOM 588 CD PRO A 37 -12.001 -1.229 -5.485 1.00 8.33 C ATOM 0 HA PRO A 37 -9.771 -0.266 -7.339 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.604 1.560 -5.722 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.533 1.385 -7.464 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.545 0.160 -6.111 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.784 -0.697 -7.437 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.371 -1.032 -4.479 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.301 -2.245 -5.742 1.00 8.33 H new ATOM 596 N PRO A 38 -8.055 1.455 -6.242 1.00 8.71 N ATOM 597 CA PRO A 38 -7.171 2.420 -5.549 1.00 9.08 C ATOM 598 C PRO A 38 -7.777 3.707 -4.990 1.00 9.28 C ATOM 599 O PRO A 38 -7.150 4.296 -4.131 1.00 6.50 O ATOM 600 CB PRO A 38 -6.079 2.746 -6.547 1.00 10.31 C ATOM 601 CG PRO A 38 -6.113 1.494 -7.443 1.00 10.81 C ATOM 602 CD PRO A 38 -7.611 1.167 -7.597 1.00 12.00 C ATOM 0 HA PRO A 38 -6.843 1.931 -4.632 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.290 3.658 -7.105 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.110 2.883 -6.067 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.648 1.686 -8.410 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.571 0.665 -6.987 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.103 1.793 -8.342 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.787 0.131 -7.885 1.00 12.00 H new ATOM 610 N ASP A 39 -8.943 4.167 -5.447 1.00 11.20 N ATOM 611 CA ASP A 39 -9.692 5.237 -4.743 1.00 14.96 C ATOM 612 C ASP A 39 -10.097 5.026 -3.263 1.00 13.99 C ATOM 613 O ASP A 39 -10.013 5.900 -2.468 1.00 13.75 O ATOM 614 CB ASP A 39 -10.962 5.616 -5.567 1.00 24.16 C ATOM 615 CG ASP A 39 -10.577 6.193 -6.972 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.738 7.117 -7.006 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.245 5.878 -7.995 1.00 34.22 O ATOM 0 H ASP A 39 -9.396 3.825 -6.295 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.952 6.035 -4.682 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.592 4.736 -5.693 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.549 6.352 -5.017 1.00 24.16 H new ATOM 622 N GLN A 40 -10.458 3.791 -2.897 1.00 11.60 N ATOM 623 CA GLN A 40 -10.873 3.322 -1.653 1.00 10.76 C ATOM 624 C GLN A 40 -9.634 2.941 -0.835 1.00 8.01 C ATOM 625 O GLN A 40 -9.803 2.819 0.393 1.00 8.96 O ATOM 626 CB GLN A 40 -11.642 2.007 -1.778 1.00 11.14 C ATOM 627 CG GLN A 40 -12.953 2.148 -2.639 1.00 14.85 C ATOM 628 CD GLN A 40 -13.688 0.802 -2.989 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.405 -0.244 -2.396 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.701 0.865 -3.898 1.00 18.16 N ATOM 0 H GLN A 40 -10.450 3.035 -3.582 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.485 4.105 -1.205 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.995 1.254 -2.229 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.903 1.648 -0.783 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.650 2.792 -2.103 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.701 2.656 -3.570 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.909 1.745 -4.370 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.252 0.032 -4.106 1.00 18.16 H new ATOM 639 N GLN A 41 -8.424 2.856 -1.392 1.00 6.52 N ATOM 640 CA GLN A 41 -7.364 2.368 -0.512 1.00 3.87 C ATOM 641 C GLN A 41 -6.586 3.495 0.145 1.00 4.79 C ATOM 642 O GLN A 41 -6.405 4.561 -0.415 1.00 6.34 O ATOM 643 CB GLN A 41 -6.437 1.428 -1.348 1.00 4.20 C ATOM 644 CG GLN A 41 -7.086 0.110 -1.914 1.00 3.20 C ATOM 645 CD GLN A 41 -6.008 -0.552 -2.776 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.852 -0.554 -2.338 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.290 -0.996 -3.997 1.00 7.13 N ATOM 0 H GLN A 41 -8.168 3.092 -2.351 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.809 1.812 0.313 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.042 2.000 -2.188 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.587 1.148 -0.725 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.399 -0.550 -1.105 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.975 0.334 -2.504 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.252 -0.984 -4.335 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.544 -1.349 -4.596 1.00 7.13 H new ATOM 656 N ARG A 42 -6.036 3.171 1.338 1.00 5.73 N ATOM 657 CA ARG A 42 -5.081 4.004 2.001 1.00 6.97 C ATOM 658 C ARG A 42 -4.111 3.036 2.662 1.00 7.15 C ATOM 659 O ARG A 42 -4.595 2.103 3.268 1.00 7.33 O ATOM 660 CB ARG A 42 -5.578 5.025 3.088 1.00 13.23 C ATOM 661 CG ARG A 42 -6.455 6.193 2.682 1.00 21.27 C ATOM 662 CD ARG A 42 -6.540 7.246 3.768 1.00 26.14 C ATOM 663 NE ARG A 42 -7.614 8.204 3.338 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.750 8.459 4.039 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.173 7.772 5.059 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.477 9.495 3.642 1.00 36.39 N ATOM 0 H ARG A 42 -6.261 2.316 1.846 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.679 4.664 1.233 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.122 4.457 3.842 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.694 5.437 3.575 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.060 6.643 1.771 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.456 5.830 2.450 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.783 6.795 4.730 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.586 7.759 3.889 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.481 8.699 2.456 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.638 6.970 5.391 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.040 8.036 5.527 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.174 10.056 2.846 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.339 9.731 4.133 1.00 36.39 H new ATOM 680 N LEU A 43 -2.798 3.216 2.583 1.00 4.65 N ATOM 681 CA LEU A 43 -1.798 2.362 3.121 1.00 3.51 C ATOM 682 C LEU A 43 -0.956 3.128 4.155 1.00 5.56 C ATOM 683 O LEU A 43 -0.398 4.182 3.898 1.00 4.19 O ATOM 684 CB LEU A 43 -0.805 1.977 2.017 1.00 3.74 C ATOM 685 CG LEU A 43 -1.239 0.708 1.252 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.381 0.674 -0.037 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.201 -0.631 2.046 1.00 6.41 C ATOM 0 H LEU A 43 -2.398 4.023 2.105 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.299 1.497 3.555 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.707 2.805 1.315 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.179 1.814 2.457 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.305 0.782 1.037 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.642 -0.206 -0.625 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.571 1.572 -0.624 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.675 0.631 0.230 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.528 -1.446 1.400 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.184 -0.823 2.387 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.865 -0.562 2.908 1.00 6.41 H new ATOM 699 N ILE A 44 -0.844 2.590 5.407 1.00 4.58 N ATOM 700 CA ILE A 44 -0.109 3.181 6.533 1.00 5.55 C ATOM 701 C ILE A 44 1.205 2.450 6.790 1.00 5.46 C ATOM 702 O ILE A 44 1.288 1.226 6.909 1.00 6.04 O ATOM 703 CB ILE A 44 -1.065 3.179 7.722 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.421 3.893 7.467 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.347 3.898 8.865 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.279 5.324 6.959 1.00 13.90 C ATOM 0 H ILE A 44 -1.284 1.703 5.652 1.00 4.58 H new ATOM 0 HA ILE A 44 0.199 4.205 6.323 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.314 2.141 7.941 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.994 3.315 6.742 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.996 3.902 8.393 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.993 3.923 9.742 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.574 3.367 9.107 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.109 4.917 8.561 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.268 5.755 6.805 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.734 5.918 7.693 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.733 5.323 6.016 1.00 13.90 H new ATOM 718 N PHE A 45 2.331 3.209 6.867 1.00 6.75 N ATOM 719 CA PHE A 45 3.574 2.706 7.359 1.00 4.70 C ATOM 720 C PHE A 45 4.411 3.736 8.149 1.00 6.34 C ATOM 721 O PHE A 45 4.415 4.922 7.864 1.00 5.45 O ATOM 722 CB PHE A 45 4.236 2.099 6.116 1.00 5.51 C ATOM 723 CG PHE A 45 5.641 1.640 6.399 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.973 0.379 6.992 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.651 2.545 6.162 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.263 0.129 7.288 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.961 2.248 6.464 1.00 6.64 C ATOM 728 CZ PHE A 45 8.298 1.009 7.095 1.00 6.84 C ATOM 0 H PHE A 45 2.367 4.187 6.580 1.00 6.75 H new ATOM 0 HA PHE A 45 3.449 1.953 8.137 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.642 1.256 5.763 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.249 2.837 5.314 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.207 -0.354 7.197 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.411 3.506 5.731 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.501 -0.837 7.709 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.740 2.956 6.223 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.308 0.780 7.401 1.00 6.84 H new ATOM 738 N ALA A 46 5.122 3.219 9.150 1.00 6.53 N ATOM 739 CA ALA A 46 5.844 3.914 10.191 1.00 7.15 C ATOM 740 C ALA A 46 5.057 5.072 10.807 1.00 9.00 C ATOM 741 O ALA A 46 5.572 6.149 11.050 1.00 11.15 O ATOM 742 CB ALA A 46 7.238 4.345 9.660 1.00 8.99 C ATOM 0 H ALA A 46 5.209 2.208 9.254 1.00 6.53 H new ATOM 0 HA ALA A 46 5.990 3.220 11.018 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.781 4.869 10.447 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.801 3.462 9.357 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.112 5.007 8.803 1.00 8.99 H new ATOM 748 N GLY A 47 3.756 4.819 10.988 1.00 9.35 N ATOM 749 CA GLY A 47 2.823 5.826 11.503 1.00 11.68 C ATOM 750 C GLY A 47 2.563 6.976 10.594 1.00 11.14 C ATOM 751 O GLY A 47 1.899 7.915 10.998 1.00 13.93 O ATOM 0 H GLY A 47 3.323 3.918 10.783 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.874 5.338 11.725 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.213 6.210 12.446 1.00 11.68 H new ATOM 755 N LYS A 48 2.901 6.831 9.298 1.00 10.47 N ATOM 756 CA LYS A 48 2.615 7.856 8.332 1.00 8.82 C ATOM 757 C LYS A 48 1.497 7.485 7.316 1.00 7.68 C ATOM 758 O LYS A 48 1.368 6.326 6.901 1.00 6.47 O ATOM 759 CB LYS A 48 3.886 8.161 7.471 1.00 9.74 C ATOM 760 CG LYS A 48 5.201 8.360 8.261 1.00 14.14 C ATOM 761 CD LYS A 48 6.419 8.515 7.291 1.00 16.32 C ATOM 762 CE LYS A 48 7.743 8.459 7.940 1.00 20.04 C ATOM 763 NZ LYS A 48 7.925 9.568 8.835 1.00 23.92 N ATOM 0 H LYS A 48 3.370 6.009 8.918 1.00 10.47 H new ATOM 0 HA LYS A 48 2.286 8.707 8.929 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.028 7.343 6.765 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.697 9.060 6.884 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.120 9.244 8.893 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.364 7.509 8.923 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.367 7.729 6.538 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.328 9.466 6.766 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.843 7.523 8.490 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.525 8.468 7.181 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.888 9.543 9.227 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.785 10.459 8.317 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.234 9.506 9.610 1.00 23.92 H new ATOM 777 N GLN A 49 0.805 8.531 6.778 1.00 8.89 N ATOM 778 CA GLN A 49 -0.182 8.455 5.760 1.00 7.18 C ATOM 779 C GLN A 49 0.614 8.865 4.514 1.00 8.23 C ATOM 780 O GLN A 49 1.274 9.852 4.440 1.00 9.70 O ATOM 781 CB GLN A 49 -1.402 9.410 5.998 1.00 11.67 C ATOM 782 CG GLN A 49 -2.571 9.258 4.978 1.00 15.82 C ATOM 783 CD GLN A 49 -3.644 10.366 5.199 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.548 11.302 4.426 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.589 10.241 6.136 1.00 20.67 N ATOM 0 H GLN A 49 0.961 9.489 7.090 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.644 7.469 5.700 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.791 9.234 7.001 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.048 10.440 5.970 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.183 9.319 3.961 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.029 8.275 5.086 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.598 9.423 6.745 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.301 10.964 6.242 1.00 20.67 H new ATOM 794 N LEU A 50 0.637 8.074 3.494 1.00 6.51 N ATOM 795 CA LEU A 50 1.570 8.158 2.398 1.00 7.41 C ATOM 796 C LEU A 50 0.982 8.791 1.113 1.00 8.27 C ATOM 797 O LEU A 50 -0.149 8.553 0.681 1.00 8.34 O ATOM 798 CB LEU A 50 2.099 6.720 2.058 1.00 7.13 C ATOM 799 CG LEU A 50 2.608 5.830 3.154 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.083 4.492 2.563 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.717 6.529 4.026 1.00 9.11 C ATOM 0 H LEU A 50 -0.027 7.307 3.388 1.00 6.51 H new ATOM 0 HA LEU A 50 2.373 8.816 2.731 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.291 6.187 1.557 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.904 6.834 1.332 1.00 7.13 H new ATOM 0 HG LEU A 50 1.785 5.626 3.839 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.451 3.851 3.364 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.251 4.001 2.059 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.884 4.675 1.847 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.053 5.844 4.805 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.561 6.800 3.392 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.306 7.428 4.486 1.00 9.11 H new ATOM 813 N GLU A 51 1.833 9.511 0.421 1.00 9.43 N ATOM 814 CA GLU A 51 1.440 10.244 -0.747 1.00 11.90 C ATOM 815 C GLU A 51 1.704 9.373 -1.998 1.00 11.49 C ATOM 816 O GLU A 51 2.678 8.664 -2.120 1.00 9.88 O ATOM 817 CB GLU A 51 2.357 11.523 -0.865 1.00 16.56 C ATOM 818 CG GLU A 51 2.006 12.579 0.221 1.00 26.06 C ATOM 819 CD GLU A 51 2.685 13.902 0.053 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.904 13.977 0.362 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.985 14.878 -0.393 1.00 32.13 O ATOM 0 H GLU A 51 2.821 9.602 0.658 1.00 9.43 H new ATOM 0 HA GLU A 51 0.387 10.515 -0.676 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.403 11.232 -0.766 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.241 11.965 -1.855 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.928 12.737 0.219 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.267 12.174 1.199 1.00 26.06 H new ATOM 828 N ASP A 52 0.841 9.563 -3.012 1.00 12.71 N ATOM 829 CA ASP A 52 0.637 8.636 -4.077 1.00 16.56 C ATOM 830 C ASP A 52 1.956 8.375 -4.975 1.00 15.83 C ATOM 831 O ASP A 52 2.233 7.247 -5.362 1.00 17.21 O ATOM 832 CB ASP A 52 -0.517 9.205 -5.021 1.00 21.05 C ATOM 833 CG ASP A 52 -1.862 9.281 -4.338 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.346 8.251 -3.820 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.454 10.380 -4.405 1.00 28.37 O ATOM 0 H ASP A 52 0.262 10.399 -3.091 1.00 12.71 H new ATOM 0 HA ASP A 52 0.371 7.681 -3.624 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.236 10.200 -5.368 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.601 8.571 -5.904 1.00 21.05 H new ATOM 840 N GLY A 53 2.667 9.476 -5.345 1.00 15.00 N ATOM 841 CA GLY A 53 3.868 9.495 -6.147 1.00 11.77 C ATOM 842 C GLY A 53 5.169 9.326 -5.453 1.00 11.10 C ATOM 843 O GLY A 53 6.284 9.250 -6.052 1.00 11.25 O ATOM 0 H GLY A 53 2.380 10.413 -5.063 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.783 8.707 -6.895 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.896 10.443 -6.684 1.00 11.77 H new ATOM 847 N ARG A 54 5.140 9.262 -4.093 1.00 8.53 N ATOM 848 CA ARG A 54 6.279 8.895 -3.278 1.00 9.05 C ATOM 849 C ARG A 54 6.449 7.405 -3.503 1.00 8.96 C ATOM 850 O ARG A 54 5.515 6.634 -3.770 1.00 11.60 O ATOM 851 CB ARG A 54 6.202 9.230 -1.784 1.00 7.97 C ATOM 852 CG ARG A 54 6.137 10.771 -1.561 1.00 9.62 C ATOM 853 CD ARG A 54 7.291 11.662 -1.980 1.00 12.20 C ATOM 854 NE ARG A 54 6.949 13.025 -1.430 1.00 18.23 N ATOM 855 CZ ARG A 54 7.470 13.498 -0.291 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.683 13.262 0.079 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.696 14.290 0.470 1.00 23.38 N ATOM 0 H ARG A 54 4.304 9.471 -3.548 1.00 8.53 H new ATOM 0 HA ARG A 54 7.133 9.497 -3.588 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.322 8.758 -1.346 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.072 8.821 -1.270 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.248 11.133 -2.078 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.975 10.935 -0.496 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.237 11.299 -1.577 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.396 11.689 -3.065 1.00 12.20 H new ATOM 0 HE ARG A 54 6.293 13.610 -1.948 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.293 12.691 -0.506 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.032 13.646 0.957 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.746 14.512 0.173 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.059 14.669 1.345 1.00 23.38 H new ATOM 871 N THR A 55 7.737 6.891 -3.375 1.00 9.05 N ATOM 872 CA THR A 55 8.013 5.447 -3.575 1.00 9.03 C ATOM 873 C THR A 55 8.270 4.610 -2.331 1.00 8.15 C ATOM 874 O THR A 55 8.370 5.165 -1.214 1.00 5.91 O ATOM 875 CB THR A 55 9.312 5.203 -4.358 1.00 11.15 C ATOM 876 OG1 THR A 55 10.471 5.765 -3.736 1.00 11.95 O ATOM 877 CG2 THR A 55 9.137 5.821 -5.704 1.00 11.71 C ATOM 0 H THR A 55 8.557 7.452 -3.142 1.00 9.05 H new ATOM 0 HA THR A 55 7.088 5.152 -4.070 1.00 9.03 H new ATOM 0 HB THR A 55 9.482 4.127 -4.405 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.317 6.716 -3.557 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.041 5.670 -6.294 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.291 5.357 -6.210 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.951 6.889 -5.593 1.00 11.71 H new ATOM 885 N LEU A 56 8.403 3.312 -2.496 1.00 6.91 N ATOM 886 CA LEU A 56 8.826 2.389 -1.386 1.00 8.29 C ATOM 887 C LEU A 56 10.127 2.698 -0.743 1.00 8.05 C ATOM 888 O LEU A 56 10.226 2.634 0.470 1.00 10.17 O ATOM 889 CB LEU A 56 8.763 0.893 -1.931 1.00 6.60 C ATOM 890 CG LEU A 56 7.327 0.356 -2.290 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.401 -0.769 -3.331 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.725 -0.275 -1.023 1.00 8.64 C ATOM 0 H LEU A 56 8.230 2.839 -3.383 1.00 6.91 H new ATOM 0 HA LEU A 56 8.122 2.537 -0.567 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.389 0.823 -2.820 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.200 0.234 -1.181 1.00 6.60 H new ATOM 0 HG LEU A 56 6.738 1.187 -2.677 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.395 -1.120 -3.559 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.869 -0.393 -4.241 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.992 -1.594 -2.933 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.728 -0.656 -1.245 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.360 -1.095 -0.688 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.660 0.478 -0.237 1.00 8.64 H new ATOM 904 N SER A 57 11.102 3.129 -1.583 1.00 8.92 N ATOM 905 CA SER A 57 12.365 3.613 -1.113 1.00 9.00 C ATOM 906 C SER A 57 12.345 4.951 -0.479 1.00 9.44 C ATOM 907 O SER A 57 13.080 5.108 0.456 1.00 10.91 O ATOM 908 CB SER A 57 13.440 3.633 -2.178 1.00 10.32 C ATOM 909 OG SER A 57 13.308 4.715 -3.116 1.00 13.59 O ATOM 0 H SER A 57 11.006 3.139 -2.598 1.00 8.92 H new ATOM 0 HA SER A 57 12.601 2.877 -0.345 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.415 3.700 -1.695 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.417 2.688 -2.722 1.00 10.32 H new ATOM 0 HG SER A 57 12.360 4.934 -3.231 1.00 13.59 H new ATOM 915 N ASP A 58 11.545 5.927 -0.916 1.00 9.11 N ATOM 916 CA ASP A 58 11.371 7.176 -0.182 1.00 7.91 C ATOM 917 C ASP A 58 10.999 6.973 1.308 1.00 9.12 C ATOM 918 O ASP A 58 11.618 7.587 2.189 1.00 8.61 O ATOM 919 CB ASP A 58 10.231 8.005 -0.753 1.00 8.41 C ATOM 920 CG ASP A 58 10.693 8.603 -1.992 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.647 9.398 -1.944 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.998 8.342 -3.022 1.00 11.70 O ATOM 0 H ASP A 58 11.006 5.872 -1.780 1.00 9.11 H new ATOM 0 HA ASP A 58 12.339 7.668 -0.275 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.357 7.379 -0.934 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.929 8.777 -0.046 1.00 8.41 H new ATOM 927 N TYR A 59 10.048 6.146 1.550 1.00 7.97 N ATOM 928 CA TYR A 59 9.595 5.874 2.898 1.00 8.45 C ATOM 929 C TYR A 59 10.514 4.815 3.564 1.00 10.98 C ATOM 930 O TYR A 59 10.254 4.342 4.721 1.00 12.95 O ATOM 931 CB TYR A 59 8.128 5.387 2.903 1.00 7.94 C ATOM 932 CG TYR A 59 7.091 6.515 2.532 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.062 7.622 3.441 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.379 6.504 1.366 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.230 8.647 3.151 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.488 7.638 1.098 1.00 6.52 C ATOM 937 CZ TYR A 59 5.458 8.686 1.959 1.00 6.76 C ATOM 938 OH TYR A 59 4.595 9.720 1.843 1.00 7.63 O ATOM 0 H TYR A 59 9.549 5.628 0.827 1.00 7.97 H new ATOM 0 HA TYR A 59 9.646 6.801 3.469 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.024 4.563 2.197 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.887 4.993 3.891 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.682 7.637 4.325 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.469 5.687 0.665 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.149 9.466 3.851 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.859 7.639 0.220 1.00 6.52 H new ATOM 0 HH TYR A 59 5.044 10.474 1.406 1.00 7.63 H new ATOM 948 N ASN A 60 11.527 4.311 2.847 1.00 12.38 N ATOM 949 CA ASN A 60 12.555 3.404 3.327 1.00 13.94 C ATOM 950 C ASN A 60 11.994 2.009 3.672 1.00 14.16 C ATOM 951 O ASN A 60 12.345 1.340 4.657 1.00 14.26 O ATOM 952 CB ASN A 60 13.507 3.926 4.368 1.00 19.23 C ATOM 953 CG ASN A 60 14.144 5.222 3.902 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.103 5.184 3.157 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.522 6.420 4.208 1.00 24.09 N ATOM 0 H ASN A 60 11.650 4.544 1.862 1.00 12.38 H new ATOM 0 HA ASN A 60 13.206 3.304 2.458 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.976 4.091 5.305 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.281 3.184 4.567 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.868 7.291 3.806 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.718 6.431 4.836 1.00 24.09 H new ATOM 962 N ILE A 61 11.015 1.508 2.817 1.00 11.08 N ATOM 963 CA ILE A 61 10.285 0.268 2.958 1.00 11.78 C ATOM 964 C ILE A 61 11.175 -0.720 2.312 1.00 13.74 C ATOM 965 O ILE A 61 11.496 -0.708 1.123 1.00 14.60 O ATOM 966 CB ILE A 61 8.925 0.376 2.283 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.038 1.336 3.078 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.336 -1.065 2.105 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.734 1.650 2.331 1.00 11.42 C ATOM 0 H ILE A 61 10.733 2.020 1.981 1.00 11.08 H new ATOM 0 HA ILE A 61 10.060 -0.006 3.989 1.00 11.78 H new ATOM 0 HB ILE A 61 8.998 0.803 1.283 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.806 0.898 4.049 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.581 2.262 3.268 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.361 -1.002 1.622 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.009 -1.660 1.487 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.228 -1.537 3.082 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.130 2.335 2.926 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.967 2.112 1.371 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.179 0.727 2.165 1.00 11.42 H new ATOM 981 N GLN A 62 11.586 -1.716 3.210 1.00 13.97 N ATOM 982 CA GLN A 62 12.420 -2.793 2.850 1.00 15.52 C ATOM 983 C GLN A 62 11.593 -3.989 2.499 1.00 13.94 C ATOM 984 O GLN A 62 10.473 -4.179 2.926 1.00 12.15 O ATOM 985 CB GLN A 62 13.361 -3.285 4.035 1.00 19.53 C ATOM 986 CG GLN A 62 14.236 -2.193 4.623 1.00 26.38 C ATOM 987 CD GLN A 62 15.235 -1.726 3.561 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.941 -2.489 2.952 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.151 -0.447 3.234 1.00 32.71 N ATOM 0 H GLN A 62 11.307 -1.728 4.191 1.00 13.97 H new ATOM 0 HA GLN A 62 13.020 -2.420 2.020 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.741 -3.705 4.827 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.999 -4.089 3.669 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.621 -1.356 4.955 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.766 -2.567 5.499 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.545 0.177 3.767 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.692 -0.085 2.449 1.00 32.71 H new ATOM 998 N LYS A 63 12.176 -4.883 1.699 1.00 11.73 N ATOM 999 CA LYS A 63 11.632 -6.262 1.504 1.00 11.97 C ATOM 1000 C LYS A 63 11.085 -6.956 2.741 1.00 10.41 C ATOM 1001 O LYS A 63 11.721 -7.040 3.847 1.00 9.59 O ATOM 1002 CB LYS A 63 12.695 -7.064 0.797 1.00 13.73 C ATOM 1003 CG LYS A 63 13.902 -7.342 1.646 1.00 16.98 C ATOM 1004 CD LYS A 63 15.088 -7.790 0.827 1.00 20.19 C ATOM 1005 CE LYS A 63 16.267 -8.385 1.637 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.202 -9.155 0.724 1.00 25.97 N ATOM 0 H LYS A 63 13.026 -4.693 1.168 1.00 11.73 H new ATOM 0 HA LYS A 63 10.729 -6.178 0.899 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.266 -8.011 0.469 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.007 -6.528 -0.099 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.167 -6.443 2.203 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.658 -8.111 2.379 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.750 -8.536 0.107 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.456 -6.938 0.255 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.814 -7.585 2.136 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.885 -9.045 2.416 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.987 -9.547 1.282 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.681 -9.930 0.267 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.581 -8.516 -0.004 1.00 25.97 H new ATOM 1020 N GLU A 64 9.887 -7.501 2.679 1.00 10.04 N ATOM 1021 CA GLU A 64 9.143 -8.142 3.774 1.00 10.94 C ATOM 1022 C GLU A 64 8.720 -7.256 4.950 1.00 9.74 C ATOM 1023 O GLU A 64 8.540 -7.688 6.093 1.00 9.42 O ATOM 1024 CB GLU A 64 9.881 -9.449 4.227 1.00 18.31 C ATOM 1025 CG GLU A 64 9.920 -10.454 3.091 1.00 24.16 C ATOM 1026 CD GLU A 64 10.594 -11.744 3.409 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.645 -11.760 4.151 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.069 -12.853 2.900 1.00 31.72 O ATOM 0 H GLU A 64 9.360 -7.515 1.806 1.00 10.04 H new ATOM 0 HA GLU A 64 8.174 -8.392 3.342 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.896 -9.210 4.545 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.371 -9.883 5.088 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.897 -10.664 2.778 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.426 -9.998 2.241 1.00 24.16 H new ATOM 1035 N SER A 65 8.580 -5.953 4.631 1.00 6.85 N ATOM 1036 CA SER A 65 8.123 -4.981 5.535 1.00 6.90 C ATOM 1037 C SER A 65 6.581 -4.983 5.483 1.00 4.72 C ATOM 1038 O SER A 65 5.987 -5.523 4.486 1.00 3.91 O ATOM 1039 CB SER A 65 8.768 -3.575 5.328 1.00 7.28 C ATOM 1040 OG SER A 65 8.549 -2.679 6.404 1.00 10.56 O ATOM 0 H SER A 65 8.797 -5.580 3.707 1.00 6.85 H new ATOM 0 HA SER A 65 8.447 -5.239 6.543 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.841 -3.696 5.182 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.370 -3.134 4.414 1.00 7.28 H new ATOM 0 HG SER A 65 8.069 -1.889 6.079 1.00 10.56 H new ATOM 1046 N THR A 66 5.919 -4.592 6.569 1.00 4.48 N ATOM 1047 CA THR A 66 4.481 -4.770 6.778 1.00 3.80 C ATOM 1048 C THR A 66 3.691 -3.451 6.613 1.00 4.60 C ATOM 1049 O THR A 66 4.025 -2.441 7.234 1.00 5.33 O ATOM 1050 CB THR A 66 4.204 -5.415 8.088 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.807 -6.734 8.069 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.704 -5.569 8.332 1.00 3.40 C ATOM 0 H THR A 66 6.380 -4.129 7.352 1.00 4.48 H new ATOM 0 HA THR A 66 4.128 -5.440 5.994 1.00 3.80 H new ATOM 0 HB THR A 66 4.615 -4.792 8.882 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.640 -7.182 8.924 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.540 -6.044 9.299 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.232 -4.587 8.325 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.269 -6.186 7.546 1.00 3.40 H new ATOM 1060 N LEU A 67 2.765 -3.452 5.640 1.00 4.17 N ATOM 1061 CA LEU A 67 2.062 -2.252 5.209 1.00 3.85 C ATOM 1062 C LEU A 67 0.642 -2.457 5.682 1.00 3.80 C ATOM 1063 O LEU A 67 -0.063 -3.392 5.373 1.00 5.54 O ATOM 1064 CB LEU A 67 2.086 -1.992 3.665 1.00 7.18 C ATOM 1065 CG LEU A 67 3.469 -1.939 3.101 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.496 -1.623 1.625 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.277 -0.846 3.790 1.00 11.66 C ATOM 0 H LEU A 67 2.488 -4.293 5.134 1.00 4.17 H new ATOM 0 HA LEU A 67 2.552 -1.372 5.627 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.525 -2.779 3.161 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.577 -1.052 3.453 1.00 7.18 H new ATOM 0 HG LEU A 67 3.889 -2.931 3.266 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.529 -1.599 1.277 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.947 -2.390 1.079 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.032 -0.652 1.452 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.283 -0.818 3.370 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.792 0.118 3.635 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.335 -1.055 4.858 1.00 11.66 H new ATOM 1079 N HIS A 68 0.129 -1.457 6.484 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.160 -1.691 6.996 1.00 4.17 C ATOM 1081 C HIS A 68 -2.173 -1.077 6.058 1.00 5.32 C ATOM 1082 O HIS A 68 -2.059 0.040 5.586 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.295 -0.970 8.403 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.110 -1.341 9.325 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.977 -0.533 9.503 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.131 -2.447 10.088 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.770 -1.124 10.377 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.338 -2.266 10.759 1.00 16.30 N ATOM 0 H HIS A 68 0.582 -0.580 6.739 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.328 -2.763 7.098 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.328 0.110 8.262 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.234 -1.258 8.876 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.145 0.363 9.045 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.507 -3.316 10.159 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.691 -0.687 10.734 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.207 -1.885 5.681 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.178 -1.373 4.666 1.00 3.97 C ATOM 1098 C LEU A 69 -5.357 -0.865 5.338 1.00 5.07 C ATOM 1099 O LEU A 69 -5.954 -1.588 6.104 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.617 -2.478 3.696 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.535 -2.057 2.541 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.998 -0.975 1.598 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.856 -3.292 1.634 1.00 9.96 C ATOM 0 H LEU A 69 -3.384 -2.826 6.033 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.680 -0.585 4.101 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.722 -2.933 3.271 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.126 -3.252 4.270 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.401 -1.641 3.056 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.738 -0.766 0.825 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.798 -0.066 2.164 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.076 -1.323 1.132 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.508 -2.984 0.817 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.929 -3.695 1.226 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.355 -4.059 2.227 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.786 0.383 5.118 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.921 0.953 5.796 1.00 6.26 C ATOM 1117 C VAL A 70 -7.858 1.606 4.781 1.00 9.22 C ATOM 1118 O VAL A 70 -7.654 2.581 4.072 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.500 1.742 7.007 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.449 1.047 7.990 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.995 3.165 6.569 1.00 8.54 C ATOM 0 H VAL A 70 -5.341 1.019 4.456 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.548 0.187 6.252 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.404 1.812 7.612 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.229 1.718 8.821 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -5.870 0.118 8.375 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.530 0.830 7.446 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.692 3.731 7.450 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.144 3.058 5.896 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.798 3.694 6.057 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.981 0.922 4.617 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.812 1.194 3.452 1.00 16.06 C ATOM 1133 C LEU A 71 -10.869 2.187 3.796 1.00 18.09 C ATOM 1134 O LEU A 71 -11.509 2.167 4.854 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.589 -0.009 2.892 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.742 -1.150 2.436 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.720 -2.265 1.979 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.746 -0.646 1.392 1.00 19.57 C ATOM 0 H LEU A 71 -9.329 0.201 5.249 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.092 1.533 2.707 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.274 -0.369 3.659 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.198 0.329 2.054 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.111 -1.584 3.212 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.152 -3.128 1.633 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.353 -2.559 2.816 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.343 -1.892 1.166 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.123 -1.474 1.054 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.288 -0.229 0.543 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.115 0.126 1.834 1.00 19.57 H new