USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 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 22 THR OG1 : rot -62:sc= 0.744 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.764 K(o=1.5,f=-4!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -171:sc= 0.62 (180deg=-0.364) USER MOD Set 2.2: A 12 THR OG1 : rot -149:sc= 0.621 USER MOD Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.178) USER MOD Single : A 1 MET N :NH3+ -148:sc= 2.31 (180deg=1.24) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 7 THR OG1 : rot -54:sc= 0.129 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0495 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.04 (180deg=0.781) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0135 K(o=-0.013,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= 0.621 K(o=0.62,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 55 THR OG1 : rot -29:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.261 USER MOD Single : A 60 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.414 K(o=-0.41,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.721 -7.183 -5.007 1.00 9.67 N ATOM 2 CA MET A 1 10.736 -7.128 -3.540 1.00 10.38 C ATOM 3 C MET A 1 9.454 -7.637 -2.952 1.00 9.62 C ATOM 4 O MET A 1 8.390 -7.120 -3.304 1.00 9.62 O ATOM 5 CB MET A 1 11.049 -5.640 -3.119 1.00 13.77 C ATOM 6 CG MET A 1 11.541 -5.445 -1.614 1.00 16.29 C ATOM 7 SD MET A 1 11.776 -3.629 -1.212 1.00 17.17 S ATOM 8 CE MET A 1 10.072 -3.118 -0.761 1.00 16.11 C ATOM 0 H1 MET A 1 11.684 -7.360 -5.358 1.00 9.67 H new ATOM 0 H2 MET A 1 10.092 -7.950 -5.319 1.00 9.67 H new ATOM 0 H3 MET A 1 10.376 -6.278 -5.385 1.00 9.67 H new ATOM 0 HA MET A 1 11.510 -7.786 -3.145 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.813 -5.244 -3.788 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.151 -5.041 -3.271 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.812 -5.881 -0.930 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.479 -5.979 -1.463 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.025 -2.031 -0.690 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.375 -3.462 -1.525 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.803 -3.556 0.200 1.00 16.11 H new ATOM 20 N GLN A 2 9.488 -8.704 -2.079 1.00 9.27 N ATOM 21 CA GLN A 2 8.302 -9.231 -1.465 1.00 9.07 C ATOM 22 C GLN A 2 7.877 -8.324 -0.270 1.00 8.72 C ATOM 23 O GLN A 2 8.673 -8.047 0.639 1.00 8.22 O ATOM 24 CB GLN A 2 8.640 -10.606 -0.900 1.00 14.46 C ATOM 25 CG GLN A 2 7.326 -11.303 -0.345 1.00 17.01 C ATOM 26 CD GLN A 2 7.516 -12.799 -0.260 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.778 -13.376 0.817 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.497 -13.493 -1.400 1.00 19.49 N ATOM 0 H GLN A 2 10.345 -9.187 -1.811 1.00 9.27 H new ATOM 0 HA GLN A 2 7.499 -9.280 -2.200 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.091 -11.226 -1.675 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.375 -10.509 -0.101 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.085 -10.905 0.640 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.483 -11.074 -0.997 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.283 -13.023 -2.280 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.696 -14.493 -1.391 1.00 19.49 H new ATOM 37 N ILE A 3 6.621 -7.818 -0.273 1.00 5.87 N ATOM 38 CA ILE A 3 6.052 -7.173 0.936 1.00 5.07 C ATOM 39 C ILE A 3 4.752 -7.803 1.432 1.00 4.01 C ATOM 40 O ILE A 3 4.077 -8.533 0.754 1.00 4.61 O ATOM 41 CB ILE A 3 5.973 -5.618 0.715 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.965 -5.245 -0.403 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.336 -4.997 0.381 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.662 -3.740 -0.432 1.00 10.83 C ATOM 0 H ILE A 3 5.995 -7.842 -1.078 1.00 5.87 H new ATOM 0 HA ILE A 3 6.734 -7.359 1.766 1.00 5.07 H new ATOM 0 HB ILE A 3 5.630 -5.209 1.665 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.366 -5.552 -1.369 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.038 -5.798 -0.253 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.221 -3.922 0.239 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.031 -5.183 1.200 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.725 -5.444 -0.534 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.952 -3.527 -1.231 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.235 -3.436 0.524 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.584 -3.187 -0.609 1.00 10.83 H new ATOM 56 N PHE A 4 4.445 -7.411 2.707 1.00 4.55 N ATOM 57 CA PHE A 4 3.264 -7.922 3.384 1.00 4.68 C ATOM 58 C PHE A 4 2.357 -6.779 3.650 1.00 5.30 C ATOM 59 O PHE A 4 2.689 -5.729 4.177 1.00 5.58 O ATOM 60 CB PHE A 4 3.598 -8.737 4.638 1.00 4.83 C ATOM 61 CG PHE A 4 4.444 -9.992 4.349 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.144 -10.874 3.252 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.499 -10.356 5.234 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.961 -11.968 2.933 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.358 -11.481 4.905 1.00 10.61 C ATOM 66 CZ PHE A 4 6.061 -12.280 3.790 1.00 8.90 C ATOM 0 H PHE A 4 5.001 -6.756 3.256 1.00 4.55 H new ATOM 0 HA PHE A 4 2.756 -8.638 2.738 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.135 -8.101 5.342 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.670 -9.038 5.124 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.263 -10.688 2.656 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.660 -9.799 6.145 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.762 -12.564 2.055 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.221 -11.701 5.516 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.673 -13.144 3.577 1.00 8.90 H new ATOM 76 N VAL A 5 1.066 -6.974 3.249 1.00 4.44 N ATOM 77 CA VAL A 5 0.056 -5.907 3.411 1.00 3.87 C ATOM 78 C VAL A 5 -1.037 -6.399 4.276 1.00 4.93 C ATOM 79 O VAL A 5 -1.802 -7.242 3.869 1.00 6.84 O ATOM 80 CB VAL A 5 -0.405 -5.337 2.080 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.268 -4.048 2.280 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.771 -5.082 1.111 1.00 9.13 C ATOM 0 H VAL A 5 0.717 -7.834 2.826 1.00 4.44 H new ATOM 0 HA VAL A 5 0.508 -5.052 3.914 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.037 -6.094 1.616 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.582 -3.666 1.309 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.148 -4.288 2.877 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.677 -3.290 2.794 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.389 -4.675 0.175 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.465 -4.371 1.560 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.290 -6.020 0.914 1.00 9.13 H new ATOM 92 N LYS A 6 -1.080 -5.970 5.576 1.00 6.04 N ATOM 93 CA LYS A 6 -2.073 -6.403 6.577 1.00 6.12 C ATOM 94 C LYS A 6 -3.355 -5.578 6.500 1.00 6.57 C ATOM 95 O LYS A 6 -3.402 -4.394 6.816 1.00 5.76 O ATOM 96 CB LYS A 6 -1.441 -6.413 7.922 1.00 7.45 C ATOM 97 CG LYS A 6 -0.465 -7.550 8.165 1.00 11.12 C ATOM 98 CD LYS A 6 -0.191 -7.650 9.627 1.00 14.54 C ATOM 99 CE LYS A 6 0.688 -8.762 10.051 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.001 -10.033 9.723 1.00 20.55 N ATOM 0 H LYS A 6 -0.407 -5.301 5.950 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.392 -7.423 6.360 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.918 -5.468 8.068 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.227 -6.462 8.676 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.879 -8.488 7.795 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.462 -7.374 7.619 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.258 -6.713 9.957 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.143 -7.748 10.148 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.649 -8.705 9.540 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.891 -8.702 11.120 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.519 -10.829 10.144 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.969 -10.012 10.104 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.038 -10.152 8.690 1.00 20.55 H new ATOM 114 N THR A 7 -4.425 -6.228 6.022 1.00 7.41 N ATOM 115 CA THR A 7 -5.784 -5.678 5.882 1.00 7.48 C ATOM 116 C THR A 7 -6.618 -5.625 7.062 1.00 8.75 C ATOM 117 O THR A 7 -6.172 -6.139 8.115 1.00 8.58 O ATOM 118 CB THR A 7 -6.564 -6.395 4.748 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.978 -7.723 5.107 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.674 -6.537 3.504 1.00 9.17 C ATOM 0 H THR A 7 -4.366 -7.196 5.707 1.00 7.41 H new ATOM 0 HA THR A 7 -5.579 -4.634 5.646 1.00 7.48 H new ATOM 0 HB THR A 7 -7.444 -5.780 4.559 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.200 -8.239 5.406 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.231 -7.041 2.714 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.370 -5.549 3.159 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.789 -7.122 3.755 1.00 9.17 H new ATOM 128 N LEU A 8 -7.860 -4.962 7.102 1.00 9.84 N ATOM 129 CA LEU A 8 -8.672 -4.899 8.319 1.00 14.15 C ATOM 130 C LEU A 8 -9.304 -6.147 8.944 1.00 17.37 C ATOM 131 O LEU A 8 -9.382 -6.297 10.128 1.00 17.01 O ATOM 132 CB LEU A 8 -9.818 -3.867 8.098 1.00 16.63 C ATOM 133 CG LEU A 8 -9.468 -2.442 7.615 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.825 -1.737 7.362 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.697 -1.738 8.703 1.00 18.59 C ATOM 0 H LEU A 8 -8.274 -4.487 6.299 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.904 -4.647 9.050 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.511 -4.297 7.375 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.358 -3.770 9.040 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.856 -2.441 6.713 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.647 -0.719 7.016 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.384 -2.285 6.604 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.399 -1.711 8.288 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.443 -0.730 8.375 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.307 -1.683 9.604 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.782 -2.291 8.917 1.00 18.59 H new ATOM 147 N THR A 9 -9.710 -7.081 8.048 1.00 18.33 N ATOM 148 CA THR A 9 -10.449 -8.241 8.433 1.00 19.24 C ATOM 149 C THR A 9 -9.431 -9.305 8.661 1.00 19.48 C ATOM 150 O THR A 9 -9.766 -10.458 8.900 1.00 23.14 O ATOM 151 CB THR A 9 -11.521 -8.730 7.474 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.086 -8.982 6.166 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.620 -7.593 7.308 1.00 19.70 C ATOM 0 H THR A 9 -9.519 -7.023 7.048 1.00 18.33 H new ATOM 0 HA THR A 9 -11.033 -7.977 9.315 1.00 19.24 H new ATOM 0 HB THR A 9 -11.874 -9.662 7.916 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.841 -9.293 5.624 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.395 -7.933 6.621 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.066 -7.373 8.278 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.154 -6.691 6.911 1.00 19.70 H new ATOM 161 N GLY A 10 -8.108 -8.919 8.615 1.00 19.43 N ATOM 162 CA GLY A 10 -7.050 -9.809 9.179 1.00 18.74 C ATOM 163 C GLY A 10 -6.112 -10.526 8.273 1.00 17.62 C ATOM 164 O GLY A 10 -5.238 -11.253 8.736 1.00 19.74 O ATOM 0 H GLY A 10 -7.771 -8.044 8.214 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.446 -9.204 9.856 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.552 -10.562 9.786 1.00 18.74 H new ATOM 168 N LYS A 11 -6.408 -10.468 6.981 1.00 13.56 N ATOM 169 CA LYS A 11 -5.513 -10.991 5.936 1.00 11.91 C ATOM 170 C LYS A 11 -4.171 -10.252 5.819 1.00 10.18 C ATOM 171 O LYS A 11 -4.174 -9.052 5.730 1.00 9.10 O ATOM 172 CB LYS A 11 -6.203 -11.054 4.539 1.00 13.43 C ATOM 173 CG LYS A 11 -5.552 -11.864 3.356 1.00 16.69 C ATOM 174 CD LYS A 11 -6.476 -11.766 2.112 1.00 17.92 C ATOM 175 CE LYS A 11 -5.923 -12.315 0.818 1.00 20.81 C ATOM 176 NZ LYS A 11 -5.784 -13.792 0.975 1.00 21.93 N ATOM 0 H LYS A 11 -7.270 -10.060 6.620 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.288 -12.004 6.270 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.203 -11.460 4.693 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.325 -10.027 4.195 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.564 -11.465 3.124 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.415 -12.907 3.643 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.406 -12.289 2.335 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.730 -10.717 1.957 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.588 -12.080 -0.013 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.958 -11.862 0.592 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.404 -14.200 0.097 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -5.136 -13.998 1.762 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.715 -14.209 1.176 1.00 21.93 H new ATOM 190 N THR A 12 -3.140 -11.017 5.694 1.00 9.63 N ATOM 191 CA THR A 12 -1.876 -10.649 5.150 1.00 9.85 C ATOM 192 C THR A 12 -1.915 -10.898 3.606 1.00 11.66 C ATOM 193 O THR A 12 -1.909 -11.999 3.115 1.00 12.33 O ATOM 194 CB THR A 12 -0.697 -11.448 5.698 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.459 -11.124 7.075 1.00 10.91 O ATOM 196 CG2 THR A 12 0.632 -10.991 4.988 1.00 9.63 C ATOM 0 H THR A 12 -3.161 -11.992 5.993 1.00 9.63 H new ATOM 0 HA THR A 12 -1.721 -9.605 5.423 1.00 9.85 H new ATOM 0 HB THR A 12 -0.937 -12.500 5.546 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.497 -11.216 7.272 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.471 -11.564 5.383 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.548 -11.162 3.915 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.798 -9.930 5.175 1.00 9.63 H new ATOM 204 N ILE A 13 -1.875 -9.836 2.814 1.00 10.42 N ATOM 205 CA ILE A 13 -1.590 -10.032 1.350 1.00 11.84 C ATOM 206 C ILE A 13 -0.161 -10.283 1.288 1.00 10.55 C ATOM 207 O ILE A 13 0.644 -9.567 1.963 1.00 11.92 O ATOM 208 CB ILE A 13 -2.043 -8.738 0.555 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.316 -8.104 1.094 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.174 -9.273 -0.872 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.998 -7.069 0.222 1.00 16.46 C ATOM 0 H ILE A 13 -2.023 -8.872 3.111 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.133 -10.859 0.892 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.339 -7.910 0.640 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.032 -8.901 1.294 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.082 -7.638 2.051 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.487 -8.467 -1.536 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.212 -9.664 -1.204 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.917 -10.070 -0.895 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.891 -6.700 0.726 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.315 -6.239 0.040 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.279 -7.522 -0.728 1.00 16.46 H new ATOM 223 N THR A 14 0.282 -11.074 0.372 1.00 9.39 N ATOM 224 CA THR A 14 1.649 -11.220 -0.127 1.00 9.63 C ATOM 225 C THR A 14 1.675 -10.539 -1.427 1.00 11.20 C ATOM 226 O THR A 14 0.890 -10.779 -2.349 1.00 11.63 O ATOM 227 CB THR A 14 2.191 -12.613 -0.339 1.00 10.38 C ATOM 228 OG1 THR A 14 2.273 -13.328 0.903 1.00 16.30 O ATOM 229 CG2 THR A 14 3.679 -12.521 -0.757 1.00 11.66 C ATOM 0 H THR A 14 -0.353 -11.710 -0.110 1.00 9.39 H new ATOM 0 HA THR A 14 2.287 -10.810 0.656 1.00 9.63 H new ATOM 0 HB THR A 14 1.538 -13.093 -1.068 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.625 -14.228 0.740 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.076 -13.524 -0.912 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.762 -11.951 -1.682 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.247 -12.023 0.028 1.00 11.66 H new ATOM 237 N LEU A 15 2.612 -9.577 -1.572 1.00 8.29 N ATOM 238 CA LEU A 15 2.499 -8.551 -2.616 1.00 9.03 C ATOM 239 C LEU A 15 3.892 -8.222 -3.058 1.00 8.59 C ATOM 240 O LEU A 15 4.784 -8.054 -2.249 1.00 7.79 O ATOM 241 CB LEU A 15 1.711 -7.332 -2.099 1.00 11.08 C ATOM 242 CG LEU A 15 0.831 -6.430 -2.986 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.519 -5.761 -4.211 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.387 -7.085 -3.525 1.00 15.27 C ATOM 0 H LEU A 15 3.442 -9.494 -0.985 1.00 8.29 H new ATOM 0 HA LEU A 15 1.932 -8.908 -3.476 1.00 9.03 H new ATOM 0 HB2 LEU A 15 1.062 -7.704 -1.306 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.443 -6.675 -1.629 1.00 11.08 H new ATOM 0 HG LEU A 15 0.584 -5.665 -2.249 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.792 -5.154 -4.750 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.337 -5.127 -3.868 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.911 -6.532 -4.874 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.942 -6.374 -4.136 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.100 -7.941 -4.135 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -1.014 -7.422 -2.700 1.00 15.27 H new ATOM 256 N GLU A 16 4.199 -8.140 -4.411 1.00 11.04 N ATOM 257 CA GLU A 16 5.487 -8.078 -5.094 1.00 11.50 C ATOM 258 C GLU A 16 5.598 -6.676 -5.715 1.00 10.13 C ATOM 259 O GLU A 16 4.875 -6.283 -6.600 1.00 9.83 O ATOM 260 CB GLU A 16 5.522 -9.103 -6.269 1.00 17.22 C ATOM 261 CG GLU A 16 6.784 -8.976 -7.164 1.00 23.33 C ATOM 262 CD GLU A 16 8.060 -9.359 -6.374 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.144 -10.388 -5.655 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.035 -8.660 -6.622 1.00 28.86 O ATOM 0 H GLU A 16 3.441 -8.115 -5.093 1.00 11.04 H new ATOM 0 HA GLU A 16 6.291 -8.295 -4.391 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.476 -10.113 -5.861 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.634 -8.967 -6.886 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.683 -9.622 -8.036 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.872 -7.954 -7.533 1.00 23.33 H new ATOM 271 N VAL A 17 6.587 -5.921 -5.235 1.00 8.99 N ATOM 272 CA VAL A 17 6.753 -4.560 -5.743 1.00 8.85 C ATOM 273 C VAL A 17 8.245 -4.418 -5.991 1.00 8.04 C ATOM 274 O VAL A 17 9.117 -5.233 -5.568 1.00 8.99 O ATOM 275 CB VAL A 17 6.358 -3.505 -4.753 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.888 -3.779 -4.473 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.105 -3.575 -3.441 1.00 10.54 C ATOM 0 H VAL A 17 7.259 -6.212 -4.525 1.00 8.99 H new ATOM 0 HA VAL A 17 6.123 -4.421 -6.622 1.00 8.85 H new ATOM 0 HB VAL A 17 6.579 -2.521 -5.168 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.513 -3.051 -3.754 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.320 -3.700 -5.400 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.777 -4.783 -4.064 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.760 -2.778 -2.783 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.922 -4.540 -2.969 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.173 -3.457 -3.624 1.00 10.54 H new ATOM 287 N GLU A 18 8.646 -3.380 -6.717 1.00 7.29 N ATOM 288 CA GLU A 18 10.029 -2.965 -6.810 1.00 7.08 C ATOM 289 C GLU A 18 10.238 -1.725 -5.998 1.00 6.45 C ATOM 290 O GLU A 18 9.274 -0.956 -5.959 1.00 5.28 O ATOM 291 CB GLU A 18 10.547 -2.666 -8.203 1.00 10.28 C ATOM 292 CG GLU A 18 10.625 -3.797 -9.258 1.00 12.65 C ATOM 293 CD GLU A 18 11.546 -4.950 -8.753 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.735 -4.719 -8.580 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.006 -6.038 -8.662 1.00 18.17 O ATOM 0 H GLU A 18 8.007 -2.800 -7.262 1.00 7.29 H new ATOM 0 HA GLU A 18 10.584 -3.829 -6.445 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.921 -1.877 -8.619 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.550 -2.254 -8.095 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.626 -4.183 -9.461 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.010 -3.401 -10.197 1.00 12.65 H new ATOM 302 N PRO A 19 11.348 -1.343 -5.382 1.00 7.24 N ATOM 303 CA PRO A 19 11.423 -0.158 -4.501 1.00 7.07 C ATOM 304 C PRO A 19 11.021 1.125 -5.210 1.00 6.65 C ATOM 305 O PRO A 19 10.603 2.052 -4.517 1.00 6.37 O ATOM 306 CB PRO A 19 12.864 -0.178 -4.178 1.00 7.61 C ATOM 307 CG PRO A 19 13.281 -1.601 -4.108 1.00 8.16 C ATOM 308 CD PRO A 19 12.417 -2.287 -5.142 1.00 7.49 C ATOM 0 HA PRO A 19 10.751 -0.188 -3.643 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.436 0.353 -4.939 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.052 0.325 -3.229 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.341 -1.718 -4.333 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.119 -2.016 -3.113 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.976 -2.498 -6.054 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.034 -3.239 -4.775 1.00 7.49 H new ATOM 316 N SER A 20 11.208 1.167 -6.534 1.00 6.80 N ATOM 317 CA SER A 20 11.138 2.375 -7.313 1.00 6.28 C ATOM 318 C SER A 20 9.684 2.469 -7.893 1.00 8.45 C ATOM 319 O SER A 20 9.313 3.348 -8.721 1.00 7.26 O ATOM 320 CB SER A 20 12.089 2.207 -8.516 1.00 8.57 C ATOM 321 OG SER A 20 11.956 0.966 -9.149 1.00 11.13 O ATOM 0 H SER A 20 11.415 0.338 -7.090 1.00 6.80 H new ATOM 0 HA SER A 20 11.396 3.249 -6.715 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.895 3.000 -9.239 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.118 2.328 -8.178 1.00 8.57 H new ATOM 0 HG SER A 20 12.580 0.915 -9.903 1.00 11.13 H new ATOM 327 N ASP A 21 8.736 1.616 -7.394 1.00 7.50 N ATOM 328 CA ASP A 21 7.328 1.668 -7.807 1.00 7.70 C ATOM 329 C ASP A 21 6.619 2.629 -6.898 1.00 7.08 C ATOM 330 O ASP A 21 7.083 2.772 -5.764 1.00 8.11 O ATOM 331 CB ASP A 21 6.684 0.260 -7.661 1.00 11.00 C ATOM 332 CG ASP A 21 7.245 -0.739 -8.649 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.948 -0.431 -9.630 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.897 -1.954 -8.424 1.00 18.03 O ATOM 0 H ASP A 21 8.939 0.891 -6.706 1.00 7.50 H new ATOM 0 HA ASP A 21 7.251 1.986 -8.847 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.846 -0.107 -6.647 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.606 0.340 -7.803 1.00 11.00 H new ATOM 339 N THR A 22 5.622 3.393 -7.469 1.00 5.37 N ATOM 340 CA THR A 22 5.016 4.391 -6.619 1.00 6.01 C ATOM 341 C THR A 22 4.044 3.716 -5.646 1.00 8.01 C ATOM 342 O THR A 22 3.502 2.609 -5.908 1.00 8.11 O ATOM 343 CB THR A 22 4.321 5.548 -7.310 1.00 8.92 C ATOM 344 OG1 THR A 22 3.315 5.076 -8.143 1.00 10.22 O ATOM 345 CG2 THR A 22 5.231 6.394 -8.168 1.00 9.65 C ATOM 0 H THR A 22 5.272 3.324 -8.425 1.00 5.37 H new ATOM 0 HA THR A 22 5.860 4.853 -6.106 1.00 6.01 H new ATOM 0 HB THR A 22 3.937 6.166 -6.498 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.707 4.510 -8.841 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.655 7.199 -8.626 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.022 6.820 -7.550 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.674 5.775 -8.949 1.00 9.65 H new ATOM 353 N ILE A 23 3.668 4.428 -4.544 1.00 8.32 N ATOM 354 CA ILE A 23 2.511 4.070 -3.722 1.00 9.92 C ATOM 355 C ILE A 23 1.208 3.989 -4.500 1.00 10.01 C ATOM 356 O ILE A 23 0.513 3.020 -4.276 1.00 8.71 O ATOM 357 CB ILE A 23 2.320 5.058 -2.532 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.512 5.154 -1.626 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.097 4.639 -1.657 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.837 3.821 -0.882 1.00 12.30 C ATOM 0 H ILE A 23 4.165 5.257 -4.217 1.00 8.32 H new ATOM 0 HA ILE A 23 2.740 3.072 -3.347 1.00 9.92 H new ATOM 0 HB ILE A 23 2.165 6.031 -2.997 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.380 5.455 -2.212 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.337 5.938 -0.890 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.982 5.342 -0.832 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.194 4.645 -2.267 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.260 3.637 -1.260 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.710 3.963 -0.245 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.984 3.529 -0.269 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.044 3.038 -1.612 1.00 12.30 H new ATOM 372 N GLU A 24 0.885 4.872 -5.487 1.00 9.54 N ATOM 373 CA GLU A 24 -0.215 4.699 -6.489 1.00 11.81 C ATOM 374 C GLU A 24 -0.095 3.398 -7.334 1.00 11.14 C ATOM 375 O GLU A 24 -1.093 2.723 -7.585 1.00 10.62 O ATOM 376 CB GLU A 24 -0.239 5.946 -7.478 1.00 19.24 C ATOM 377 CG GLU A 24 -1.584 6.038 -8.307 1.00 27.76 C ATOM 378 CD GLU A 24 -1.641 7.285 -9.193 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.919 7.330 -10.200 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.410 8.250 -8.868 1.00 36.51 O ATOM 0 H GLU A 24 1.394 5.747 -5.614 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.138 4.626 -5.914 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.107 6.863 -6.904 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.604 5.876 -8.166 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.685 5.149 -8.929 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.431 6.045 -7.621 1.00 27.76 H new ATOM 387 N ASN A 25 1.128 3.046 -7.754 1.00 9.43 N ATOM 388 CA ASN A 25 1.312 1.676 -8.270 1.00 10.96 C ATOM 389 C ASN A 25 1.088 0.521 -7.344 1.00 9.68 C ATOM 390 O ASN A 25 0.497 -0.460 -7.730 1.00 9.33 O ATOM 391 CB ASN A 25 2.690 1.451 -8.962 1.00 16.78 C ATOM 392 CG ASN A 25 3.090 2.466 -10.095 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.178 3.012 -10.073 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.272 2.647 -11.119 1.00 24.70 N ATOM 0 H ASN A 25 1.956 3.642 -7.752 1.00 9.43 H new ATOM 0 HA ASN A 25 0.485 1.659 -8.980 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.464 1.477 -8.194 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.696 0.447 -9.387 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.552 3.246 -11.895 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.362 2.187 -11.132 1.00 24.70 H new ATOM 401 N VAL A 26 1.515 0.701 -6.062 1.00 6.52 N ATOM 402 CA VAL A 26 1.206 -0.398 -5.077 1.00 5.53 C ATOM 403 C VAL A 26 -0.331 -0.610 -4.889 1.00 4.42 C ATOM 404 O VAL A 26 -0.808 -1.732 -4.913 1.00 3.40 O ATOM 405 CB VAL A 26 1.818 -0.190 -3.740 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.694 -1.504 -2.928 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.341 0.190 -3.835 1.00 8.12 C ATOM 0 H VAL A 26 2.024 1.508 -5.702 1.00 6.52 H new ATOM 0 HA VAL A 26 1.651 -1.288 -5.523 1.00 5.53 H new ATOM 0 HB VAL A 26 1.292 0.634 -3.258 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.140 -1.366 -1.943 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.642 -1.765 -2.817 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.213 -2.306 -3.452 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.744 0.332 -2.832 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.885 -0.611 -4.335 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.451 1.113 -4.404 1.00 8.12 H new ATOM 417 N LYS A 27 -1.140 0.481 -4.769 1.00 2.64 N ATOM 418 CA LYS A 27 -2.629 0.453 -4.787 1.00 4.14 C ATOM 419 C LYS A 27 -3.155 -0.222 -6.039 1.00 5.58 C ATOM 420 O LYS A 27 -4.178 -0.866 -5.983 1.00 4.11 O ATOM 421 CB LYS A 27 -3.223 1.843 -4.626 1.00 3.97 C ATOM 422 CG LYS A 27 -2.805 2.296 -3.265 1.00 7.45 C ATOM 423 CD LYS A 27 -3.468 3.624 -2.871 1.00 9.02 C ATOM 424 CE LYS A 27 -2.851 4.756 -3.683 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.329 6.026 -3.095 1.00 15.47 N ATOM 0 H LYS A 27 -0.766 1.423 -4.655 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.947 -0.139 -3.929 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.854 2.520 -5.396 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.309 1.819 -4.716 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.063 1.531 -2.533 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.721 2.410 -3.238 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.542 3.575 -3.052 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.332 3.809 -1.806 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.763 4.703 -3.652 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.144 4.682 -4.730 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.070 6.817 -3.719 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.363 5.992 -2.990 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.891 6.163 -2.162 1.00 15.47 H new ATOM 439 N ALA A 28 -2.456 -0.006 -7.120 1.00 6.61 N ATOM 440 CA ALA A 28 -2.837 -0.564 -8.400 1.00 7.74 C ATOM 441 C ALA A 28 -2.571 -2.112 -8.482 1.00 9.17 C ATOM 442 O ALA A 28 -3.406 -2.871 -9.079 1.00 11.45 O ATOM 443 CB ALA A 28 -2.217 0.157 -9.588 1.00 7.68 C ATOM 0 H ALA A 28 -1.607 0.560 -7.144 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.913 -0.404 -8.466 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.547 -0.316 -10.513 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.529 1.201 -9.583 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.130 0.102 -9.520 1.00 7.68 H new ATOM 449 N LYS A 29 -1.418 -2.532 -8.030 1.00 8.96 N ATOM 450 CA LYS A 29 -1.037 -3.979 -7.868 1.00 7.90 C ATOM 451 C LYS A 29 -1.932 -4.726 -6.855 1.00 6.92 C ATOM 452 O LYS A 29 -2.411 -5.806 -7.020 1.00 6.87 O ATOM 453 CB LYS A 29 0.445 -4.167 -7.428 1.00 10.28 C ATOM 454 CG LYS A 29 1.480 -3.726 -8.431 1.00 14.94 C ATOM 455 CD LYS A 29 2.905 -3.484 -7.892 1.00 19.69 C ATOM 456 CE LYS A 29 3.862 -2.706 -8.769 1.00 22.63 C ATOM 457 NZ LYS A 29 4.360 -3.433 -9.957 1.00 24.98 N ATOM 0 H LYS A 29 -0.676 -1.891 -7.748 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.179 -4.406 -8.861 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.604 -3.615 -6.502 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.608 -5.221 -7.203 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.536 -4.480 -9.216 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.131 -2.805 -8.898 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.820 -2.960 -6.940 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.355 -4.455 -7.682 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.365 -1.795 -9.102 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.716 -2.401 -8.165 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.007 -2.820 -10.493 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.867 -4.289 -9.653 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.557 -3.702 -10.561 1.00 24.98 H new ATOM 471 N ILE A 30 -2.361 -4.010 -5.790 1.00 4.57 N ATOM 472 CA ILE A 30 -3.439 -4.459 -4.872 1.00 5.58 C ATOM 473 C ILE A 30 -4.867 -4.592 -5.585 1.00 7.26 C ATOM 474 O ILE A 30 -5.514 -5.631 -5.327 1.00 9.46 O ATOM 475 CB ILE A 30 -3.491 -3.802 -3.511 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.119 -4.060 -2.756 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.648 -4.302 -2.647 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.811 -3.068 -1.595 1.00 2.00 C ATOM 0 H ILE A 30 -1.970 -3.102 -5.541 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.128 -5.473 -4.619 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.654 -2.737 -3.674 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.127 -5.074 -2.355 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.307 -4.010 -3.482 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.630 -3.792 -1.684 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.593 -4.095 -3.149 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.548 -5.376 -2.491 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.854 -3.325 -1.141 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.765 -2.052 -1.987 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.598 -3.132 -0.843 1.00 2.00 H new ATOM 490 N GLN A 31 -5.327 -3.675 -6.396 1.00 7.06 N ATOM 491 CA GLN A 31 -6.561 -3.718 -7.204 1.00 8.67 C ATOM 492 C GLN A 31 -6.522 -4.832 -8.253 1.00 10.90 C ATOM 493 O GLN A 31 -7.483 -5.476 -8.631 1.00 9.63 O ATOM 494 CB GLN A 31 -6.735 -2.336 -7.870 1.00 9.12 C ATOM 495 CG GLN A 31 -8.105 -2.287 -8.655 1.00 10.76 C ATOM 496 CD GLN A 31 -8.133 -1.153 -9.697 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.055 -0.705 -10.196 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.271 -0.602 -10.008 1.00 14.76 N ATOM 0 H GLN A 31 -4.822 -2.800 -6.534 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.411 -3.941 -6.558 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.711 -1.552 -7.113 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.907 -2.145 -8.553 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.271 -3.242 -9.154 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.923 -2.150 -7.948 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.138 -0.961 -9.608 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.296 0.189 -10.652 1.00 14.76 H new ATOM 507 N ASP A 32 -5.264 -5.096 -8.729 1.00 10.93 N ATOM 508 CA ASP A 32 -4.943 -6.262 -9.503 1.00 14.01 C ATOM 509 C ASP A 32 -4.979 -7.643 -8.707 1.00 14.04 C ATOM 510 O ASP A 32 -5.539 -8.670 -9.120 1.00 13.39 O ATOM 511 CB ASP A 32 -3.544 -6.167 -10.168 1.00 18.01 C ATOM 512 CG ASP A 32 -3.558 -7.097 -11.374 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.549 -7.073 -12.131 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.609 -7.900 -11.573 1.00 26.29 O ATOM 0 H ASP A 32 -4.467 -4.481 -8.566 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.741 -6.271 -10.246 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.332 -5.143 -10.474 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.763 -6.458 -9.466 1.00 18.01 H new ATOM 519 N LYS A 33 -4.340 -7.736 -7.532 1.00 14.22 N ATOM 520 CA LYS A 33 -4.336 -8.910 -6.703 1.00 14.00 C ATOM 521 C LYS A 33 -5.632 -9.342 -6.104 1.00 12.37 C ATOM 522 O LYS A 33 -6.033 -10.512 -6.159 1.00 12.17 O ATOM 523 CB LYS A 33 -3.316 -8.682 -5.475 1.00 18.62 C ATOM 524 CG LYS A 33 -2.895 -9.937 -4.596 1.00 24.00 C ATOM 525 CD LYS A 33 -2.073 -10.989 -5.290 1.00 27.61 C ATOM 526 CE LYS A 33 -1.456 -12.010 -4.339 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.295 -12.838 -4.906 1.00 30.06 N ATOM 0 H LYS A 33 -3.802 -6.965 -7.137 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.053 -9.701 -7.397 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.405 -8.239 -5.878 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.761 -7.944 -4.807 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.334 -9.578 -3.733 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.801 -10.407 -4.214 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.701 -11.511 -6.012 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.277 -10.503 -5.853 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.103 -11.484 -3.452 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.240 -12.694 -4.013 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.048 -13.498 -4.179 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.623 -13.375 -5.734 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.478 -12.203 -5.190 1.00 30.06 H new ATOM 541 N GLU A 34 -6.376 -8.415 -5.513 1.00 10.11 N ATOM 542 CA GLU A 34 -7.565 -8.638 -4.638 1.00 10.07 C ATOM 543 C GLU A 34 -8.784 -7.822 -5.019 1.00 9.32 C ATOM 544 O GLU A 34 -9.753 -7.827 -4.279 1.00 11.61 O ATOM 545 CB GLU A 34 -7.036 -8.270 -3.179 1.00 14.77 C ATOM 546 CG GLU A 34 -6.246 -9.430 -2.564 1.00 18.75 C ATOM 547 CD GLU A 34 -7.119 -10.669 -2.257 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.116 -10.507 -1.510 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.682 -11.784 -2.648 1.00 21.95 O ATOM 0 H GLU A 34 -6.170 -7.422 -5.626 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.926 -9.663 -4.724 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.403 -7.384 -3.232 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -7.880 -8.021 -2.536 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.446 -9.718 -3.246 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.773 -9.090 -1.643 1.00 18.75 H new ATOM 556 N GLY A 35 -8.791 -7.074 -6.098 1.00 7.22 N ATOM 557 CA GLY A 35 -10.025 -6.322 -6.404 1.00 6.29 C ATOM 558 C GLY A 35 -10.349 -5.042 -5.647 1.00 6.93 C ATOM 559 O GLY A 35 -11.418 -4.496 -5.898 1.00 7.41 O ATOM 0 H GLY A 35 -8.018 -6.960 -6.754 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.996 -6.072 -7.465 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.863 -7.004 -6.260 1.00 6.29 H new ATOM 563 N ILE A 36 -9.472 -4.644 -4.749 1.00 5.86 N ATOM 564 CA ILE A 36 -9.741 -3.555 -3.744 1.00 6.07 C ATOM 565 C ILE A 36 -9.669 -2.228 -4.487 1.00 6.36 C ATOM 566 O ILE A 36 -8.631 -1.981 -5.105 1.00 6.18 O ATOM 567 CB ILE A 36 -8.828 -3.577 -2.545 1.00 7.47 C ATOM 568 CG1 ILE A 36 -8.811 -4.977 -1.889 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.447 -2.570 -1.530 1.00 7.36 C ATOM 570 CD1 ILE A 36 -7.891 -5.066 -0.699 1.00 9.49 C ATOM 0 H ILE A 36 -8.539 -5.048 -4.669 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.731 -3.714 -3.316 1.00 6.07 H new ATOM 0 HB ILE A 36 -7.807 -3.325 -2.833 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -9.823 -5.237 -1.578 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.506 -5.715 -2.631 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.832 -2.535 -0.631 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.488 -1.578 -1.980 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.455 -2.891 -1.268 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -7.927 -6.074 -0.286 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -6.872 -4.837 -1.009 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.208 -4.352 0.061 1.00 9.49 H new ATOM 582 N PRO A 37 -10.613 -1.268 -4.611 1.00 8.65 N ATOM 583 CA PRO A 37 -10.520 -0.137 -5.519 1.00 9.18 C ATOM 584 C PRO A 37 -9.462 0.862 -5.063 1.00 9.85 C ATOM 585 O PRO A 37 -9.190 1.132 -3.872 1.00 8.51 O ATOM 586 CB PRO A 37 -11.912 0.449 -5.543 1.00 11.42 C ATOM 587 CG PRO A 37 -12.792 -0.701 -5.134 1.00 9.27 C ATOM 588 CD PRO A 37 -11.936 -1.567 -4.211 1.00 8.33 C ATOM 0 HA PRO A 37 -10.199 -0.429 -6.519 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.005 1.289 -4.854 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.173 0.820 -6.534 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.686 -0.347 -4.621 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.126 -1.267 -6.003 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.103 -1.322 -3.162 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.162 -2.627 -4.331 1.00 8.33 H new ATOM 596 N PRO A 38 -8.664 1.450 -5.978 1.00 8.71 N ATOM 597 CA PRO A 38 -7.283 1.837 -5.600 1.00 9.08 C ATOM 598 C PRO A 38 -7.295 3.293 -5.016 1.00 9.28 C ATOM 599 O PRO A 38 -6.274 3.923 -4.785 1.00 6.50 O ATOM 600 CB PRO A 38 -6.605 1.891 -7.011 1.00 10.31 C ATOM 601 CG PRO A 38 -7.668 2.317 -7.946 1.00 10.81 C ATOM 602 CD PRO A 38 -8.845 1.476 -7.453 1.00 12.00 C ATOM 0 HA PRO A 38 -6.810 1.182 -4.868 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.771 2.593 -7.019 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -6.204 0.917 -7.291 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.870 3.386 -7.881 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.414 2.103 -8.984 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.800 1.921 -7.732 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.825 0.472 -7.877 1.00 12.00 H new ATOM 610 N ASP A 39 -8.518 3.876 -5.031 1.00 11.20 N ATOM 611 CA ASP A 39 -8.770 5.164 -4.472 1.00 14.96 C ATOM 612 C ASP A 39 -9.721 4.940 -3.272 1.00 13.99 C ATOM 613 O ASP A 39 -10.211 5.911 -2.635 1.00 13.75 O ATOM 614 CB ASP A 39 -9.388 6.049 -5.567 1.00 24.16 C ATOM 615 CG ASP A 39 -8.317 6.558 -6.550 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.457 7.352 -6.050 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.421 6.289 -7.814 1.00 35.55 O ATOM 0 H ASP A 39 -9.342 3.437 -5.441 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.871 5.670 -4.120 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.144 5.482 -6.111 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.895 6.898 -5.108 1.00 24.16 H new ATOM 622 N GLN A 40 -9.960 3.648 -2.936 1.00 11.60 N ATOM 623 CA GLN A 40 -10.634 3.245 -1.692 1.00 10.76 C ATOM 624 C GLN A 40 -9.641 2.832 -0.673 1.00 8.01 C ATOM 625 O GLN A 40 -9.864 2.929 0.513 1.00 8.96 O ATOM 626 CB GLN A 40 -11.620 2.079 -2.005 1.00 11.14 C ATOM 627 CG GLN A 40 -12.689 1.799 -0.948 1.00 14.85 C ATOM 628 CD GLN A 40 -13.243 0.426 -1.071 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.927 -0.441 -0.229 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.143 0.133 -2.019 1.00 18.16 N ATOM 0 H GLN A 40 -9.688 2.861 -3.525 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.191 4.091 -1.289 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.120 2.297 -2.949 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.039 1.169 -2.154 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.260 1.930 0.046 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.495 2.526 -1.046 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.405 0.837 -2.709 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.567 -0.794 -2.051 1.00 18.16 H new ATOM 639 N GLN A 41 -8.429 2.444 -1.121 1.00 6.52 N ATOM 640 CA GLN A 41 -7.283 2.128 -0.335 1.00 3.87 C ATOM 641 C GLN A 41 -6.610 3.262 0.387 1.00 4.79 C ATOM 642 O GLN A 41 -6.410 4.305 -0.148 1.00 6.34 O ATOM 643 CB GLN A 41 -6.158 1.304 -1.116 1.00 4.20 C ATOM 644 CG GLN A 41 -6.794 0.038 -1.820 1.00 3.20 C ATOM 645 CD GLN A 41 -5.661 -0.644 -2.669 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.546 -0.709 -2.155 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.907 -1.062 -3.938 1.00 7.13 N ATOM 0 H GLN A 41 -8.243 2.345 -2.119 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.754 1.504 0.424 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.682 1.942 -1.861 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.380 0.989 -0.421 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.189 -0.656 -1.078 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.628 0.331 -2.458 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.848 -0.990 -4.325 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.151 -1.448 -4.503 1.00 7.13 H new ATOM 656 N ARG A 42 -6.248 2.965 1.647 1.00 5.73 N ATOM 657 CA ARG A 42 -5.427 3.834 2.425 1.00 6.97 C ATOM 658 C ARG A 42 -4.252 2.950 2.826 1.00 7.15 C ATOM 659 O ARG A 42 -4.412 1.997 3.547 1.00 7.33 O ATOM 660 CB ARG A 42 -6.223 4.408 3.644 1.00 13.23 C ATOM 661 CG ARG A 42 -7.261 5.487 3.268 1.00 21.27 C ATOM 662 CD ARG A 42 -7.387 6.479 4.394 1.00 26.14 C ATOM 663 NE ARG A 42 -8.271 7.588 3.887 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.154 8.323 4.579 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.497 7.978 5.801 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.681 9.385 4.038 1.00 36.39 N ATOM 0 H ARG A 42 -6.529 2.112 2.130 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.089 4.721 1.889 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.734 3.588 4.149 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.517 4.832 4.358 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.957 5.996 2.353 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.227 5.023 3.068 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.820 6.010 5.278 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.409 6.864 4.684 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.188 7.807 2.894 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.091 7.146 6.229 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.169 8.542 6.321 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.422 9.656 3.089 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.353 9.945 4.563 1.00 36.39 H new ATOM 680 N LEU A 43 -2.981 3.208 2.388 1.00 4.65 N ATOM 681 CA LEU A 43 -1.865 2.405 2.806 1.00 3.51 C ATOM 682 C LEU A 43 -1.062 3.112 3.795 1.00 5.56 C ATOM 683 O LEU A 43 -0.657 4.236 3.540 1.00 4.19 O ATOM 684 CB LEU A 43 -1.017 1.974 1.591 1.00 3.74 C ATOM 685 CG LEU A 43 -1.776 0.983 0.633 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.780 0.580 -0.449 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.400 -0.278 1.283 1.00 6.41 C ATOM 0 H LEU A 43 -2.740 3.967 1.751 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.248 1.501 3.278 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.721 2.860 1.029 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.101 1.500 1.944 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.648 1.516 0.254 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.257 -0.111 -1.144 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.450 1.468 -0.989 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.081 0.095 0.011 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.893 -0.876 0.517 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.616 -0.869 1.757 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.131 0.023 2.034 1.00 6.41 H new ATOM 699 N ILE A 44 -0.881 2.563 4.949 1.00 4.58 N ATOM 700 CA ILE A 44 -0.072 3.135 6.002 1.00 5.55 C ATOM 701 C ILE A 44 1.200 2.283 6.242 1.00 5.46 C ATOM 702 O ILE A 44 1.080 1.072 6.263 1.00 6.04 O ATOM 703 CB ILE A 44 -0.948 3.237 7.229 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.926 4.465 6.939 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.064 3.613 8.416 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.064 4.597 7.977 1.00 13.90 C ATOM 0 H ILE A 44 -1.303 1.671 5.206 1.00 4.58 H new ATOM 0 HA ILE A 44 0.288 4.128 5.732 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.482 2.310 7.440 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.346 5.388 6.926 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.361 4.348 5.946 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.676 3.692 9.315 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.696 2.845 8.561 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.420 4.570 8.221 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.692 5.451 7.722 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.667 3.689 7.973 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.637 4.745 8.969 1.00 13.90 H new ATOM 718 N PHE A 45 2.334 2.921 6.406 1.00 6.75 N ATOM 719 CA PHE A 45 3.631 2.416 6.949 1.00 4.70 C ATOM 720 C PHE A 45 4.266 3.498 7.866 1.00 6.34 C ATOM 721 O PHE A 45 4.293 4.671 7.498 1.00 5.45 O ATOM 722 CB PHE A 45 4.541 1.960 5.700 1.00 5.51 C ATOM 723 CG PHE A 45 5.957 1.617 6.103 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.268 0.370 6.704 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.016 2.496 5.885 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.640 0.084 7.028 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.355 2.286 6.268 1.00 6.64 C ATOM 728 CZ PHE A 45 8.694 0.998 6.813 1.00 6.84 C ATOM 0 H PHE A 45 2.409 3.904 6.146 1.00 6.75 H new ATOM 0 HA PHE A 45 3.508 1.541 7.588 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.084 1.094 5.220 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.562 2.760 4.960 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.491 -0.350 6.914 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.790 3.422 5.377 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.876 -0.879 7.457 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.098 3.061 6.157 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.716 0.740 7.049 1.00 6.84 H new ATOM 738 N ALA A 46 4.714 3.041 9.067 1.00 6.53 N ATOM 739 CA ALA A 46 5.389 3.725 10.130 1.00 7.15 C ATOM 740 C ALA A 46 4.691 4.970 10.677 1.00 9.00 C ATOM 741 O ALA A 46 5.342 6.023 10.896 1.00 11.15 O ATOM 742 CB ALA A 46 6.814 4.080 9.749 1.00 8.99 C ATOM 0 H ALA A 46 4.578 2.060 9.311 1.00 6.53 H new ATOM 0 HA ALA A 46 5.374 2.996 10.940 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.294 4.597 10.579 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.367 3.169 9.520 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.806 4.729 8.873 1.00 8.99 H new ATOM 748 N GLY A 47 3.384 4.974 10.821 1.00 9.35 N ATOM 749 CA GLY A 47 2.477 6.075 11.201 1.00 11.68 C ATOM 750 C GLY A 47 2.129 7.059 10.116 1.00 11.14 C ATOM 751 O GLY A 47 1.439 8.053 10.386 1.00 13.93 O ATOM 0 H GLY A 47 2.856 4.116 10.660 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.551 5.641 11.578 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.931 6.623 12.026 1.00 11.68 H new ATOM 755 N LYS A 48 2.649 6.864 8.857 1.00 10.47 N ATOM 756 CA LYS A 48 2.397 7.825 7.838 1.00 8.82 C ATOM 757 C LYS A 48 1.399 7.314 6.763 1.00 7.68 C ATOM 758 O LYS A 48 1.126 6.133 6.638 1.00 6.47 O ATOM 759 CB LYS A 48 3.708 8.221 7.149 1.00 9.74 C ATOM 760 CG LYS A 48 4.909 8.685 8.000 1.00 14.14 C ATOM 761 CD LYS A 48 5.807 9.628 7.184 1.00 16.32 C ATOM 762 CE LYS A 48 7.218 10.033 7.796 1.00 20.04 C ATOM 763 NZ LYS A 48 7.059 10.565 9.158 1.00 23.92 N ATOM 0 H LYS A 48 3.219 6.066 8.576 1.00 10.47 H new ATOM 0 HA LYS A 48 1.947 8.687 8.330 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.038 7.365 6.560 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.478 9.022 6.447 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.554 9.194 8.896 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.484 7.821 8.332 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.985 9.163 6.214 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.248 10.545 7.000 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.875 9.164 7.814 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.695 10.780 7.161 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.991 10.824 9.541 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.449 11.407 9.133 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.624 9.841 9.765 1.00 23.92 H new ATOM 777 N GLN A 49 0.722 8.209 6.060 1.00 8.89 N ATOM 778 CA GLN A 49 -0.487 7.890 5.231 1.00 7.18 C ATOM 779 C GLN A 49 -0.158 7.645 3.741 1.00 8.23 C ATOM 780 O GLN A 49 -0.963 7.202 2.932 1.00 9.70 O ATOM 781 CB GLN A 49 -1.553 8.982 5.356 1.00 11.67 C ATOM 782 CG GLN A 49 -2.047 9.161 6.826 1.00 15.82 C ATOM 783 CD GLN A 49 -2.752 10.447 7.116 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.575 10.830 6.333 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.433 11.128 8.237 1.00 20.67 N ATOM 0 H GLN A 49 0.979 9.196 6.032 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.880 6.956 5.633 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.147 9.926 4.994 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.401 8.734 4.718 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.718 8.337 7.068 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.188 9.080 7.492 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.725 10.761 8.873 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -2.900 12.010 8.448 1.00 20.67 H new ATOM 794 N LEU A 50 1.096 7.827 3.434 1.00 6.51 N ATOM 795 CA LEU A 50 1.764 7.599 2.197 1.00 7.41 C ATOM 796 C LEU A 50 1.260 8.219 0.908 1.00 8.27 C ATOM 797 O LEU A 50 0.234 7.841 0.329 1.00 8.34 O ATOM 798 CB LEU A 50 2.132 6.118 1.944 1.00 7.13 C ATOM 799 CG LEU A 50 2.473 5.177 3.157 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.811 3.778 2.553 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.662 5.614 3.939 1.00 9.11 C ATOM 0 H LEU A 50 1.746 8.182 4.135 1.00 6.51 H new ATOM 0 HA LEU A 50 2.642 8.204 2.423 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.300 5.664 1.405 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.991 6.107 1.273 1.00 7.13 H new ATOM 0 HG LEU A 50 1.619 5.182 3.834 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.056 3.084 3.357 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.950 3.403 2.000 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.663 3.869 1.880 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.835 4.916 4.759 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.537 5.635 3.289 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.486 6.611 4.342 1.00 9.11 H new ATOM 813 N GLU A 51 1.958 9.287 0.440 1.00 9.43 N ATOM 814 CA GLU A 51 1.666 10.011 -0.759 1.00 11.90 C ATOM 815 C GLU A 51 1.730 9.231 -2.048 1.00 11.49 C ATOM 816 O GLU A 51 2.597 8.368 -2.261 1.00 9.88 O ATOM 817 CB GLU A 51 2.565 11.218 -0.820 1.00 16.56 C ATOM 818 CG GLU A 51 2.197 12.279 0.336 1.00 26.06 C ATOM 819 CD GLU A 51 3.014 13.546 0.408 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.288 14.236 -0.630 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.489 13.904 1.525 1.00 32.13 O ATOM 0 H GLU A 51 2.770 9.659 0.933 1.00 9.43 H new ATOM 0 HA GLU A 51 0.614 10.288 -0.688 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.604 10.906 -0.714 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.473 11.694 -1.796 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.151 12.560 0.213 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.280 11.771 1.297 1.00 26.06 H new ATOM 828 N ASP A 52 0.697 9.491 -2.944 1.00 12.71 N ATOM 829 CA ASP A 52 0.454 8.678 -4.174 1.00 16.56 C ATOM 830 C ASP A 52 1.602 8.554 -5.141 1.00 15.83 C ATOM 831 O ASP A 52 1.928 7.508 -5.717 1.00 17.21 O ATOM 832 CB ASP A 52 -0.739 9.361 -4.947 1.00 21.05 C ATOM 833 CG ASP A 52 -2.005 9.099 -4.229 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.631 8.042 -4.515 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.357 9.885 -3.322 1.00 25.82 O ATOM 0 H ASP A 52 0.034 10.256 -2.822 1.00 12.71 H new ATOM 0 HA ASP A 52 0.263 7.664 -3.824 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.568 10.435 -5.026 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.798 8.972 -5.964 1.00 21.05 H new ATOM 840 N GLY A 53 2.356 9.642 -5.327 1.00 15.00 N ATOM 841 CA GLY A 53 3.466 9.625 -6.272 1.00 11.77 C ATOM 842 C GLY A 53 4.778 9.248 -5.606 1.00 11.10 C ATOM 843 O GLY A 53 5.734 9.094 -6.362 1.00 11.25 O ATOM 0 H GLY A 53 2.218 10.529 -4.843 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.250 8.917 -7.072 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.564 10.608 -6.734 1.00 11.77 H new ATOM 847 N ARG A 54 4.879 9.163 -4.269 1.00 8.53 N ATOM 848 CA ARG A 54 6.104 8.776 -3.619 1.00 9.05 C ATOM 849 C ARG A 54 6.332 7.295 -3.738 1.00 8.96 C ATOM 850 O ARG A 54 5.465 6.478 -4.117 1.00 11.60 O ATOM 851 CB ARG A 54 5.933 9.121 -2.110 1.00 7.97 C ATOM 852 CG ARG A 54 6.285 10.514 -1.633 1.00 9.62 C ATOM 853 CD ARG A 54 7.728 10.979 -2.040 1.00 12.20 C ATOM 854 NE ARG A 54 7.781 12.482 -1.803 1.00 18.23 N ATOM 855 CZ ARG A 54 8.955 13.119 -1.698 1.00 22.08 C ATOM 856 NH1 ARG A 54 10.103 12.468 -1.823 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.994 14.445 -1.592 1.00 23.38 N ATOM 0 H ARG A 54 4.110 9.362 -3.629 1.00 8.53 H new ATOM 0 HA ARG A 54 6.948 9.292 -4.076 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.892 8.936 -1.846 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.537 8.415 -1.540 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.559 11.220 -2.036 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.195 10.549 -0.547 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.483 10.466 -1.445 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.931 10.744 -3.085 1.00 12.20 H new ATOM 0 HE ARG A 54 6.912 13.010 -1.723 1.00 18.23 H new ATOM 0 HH11 ARG A 54 10.103 11.464 -2.002 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.986 12.971 -1.740 1.00 25.50 H new ATOM 0 HH21 ARG A 54 8.127 14.982 -1.590 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.891 14.924 -1.512 1.00 23.38 H new ATOM 871 N THR A 55 7.612 6.824 -3.605 1.00 9.05 N ATOM 872 CA THR A 55 8.026 5.502 -3.959 1.00 9.03 C ATOM 873 C THR A 55 8.284 4.789 -2.569 1.00 8.15 C ATOM 874 O THR A 55 8.386 5.418 -1.487 1.00 5.91 O ATOM 875 CB THR A 55 9.237 5.390 -4.851 1.00 11.15 C ATOM 876 OG1 THR A 55 10.490 5.914 -4.358 1.00 11.95 O ATOM 877 CG2 THR A 55 9.051 5.956 -6.278 1.00 11.71 C ATOM 0 H THR A 55 8.372 7.396 -3.237 1.00 9.05 H new ATOM 0 HA THR A 55 7.250 5.043 -4.572 1.00 9.03 H new ATOM 0 HB THR A 55 9.313 4.303 -4.864 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.315 6.654 -3.740 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.975 5.830 -6.843 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.244 5.422 -6.779 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.803 7.016 -6.220 1.00 11.71 H new ATOM 885 N LEU A 56 8.467 3.453 -2.598 1.00 6.91 N ATOM 886 CA LEU A 56 8.810 2.629 -1.453 1.00 8.29 C ATOM 887 C LEU A 56 10.193 2.900 -0.903 1.00 8.05 C ATOM 888 O LEU A 56 10.430 2.858 0.311 1.00 10.17 O ATOM 889 CB LEU A 56 8.642 1.101 -1.802 1.00 6.60 C ATOM 890 CG LEU A 56 7.270 0.618 -2.300 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.471 -0.007 -3.689 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.614 -0.404 -1.355 1.00 8.64 C ATOM 0 H LEU A 56 8.373 2.912 -3.458 1.00 6.91 H new ATOM 0 HA LEU A 56 8.111 2.901 -0.662 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.380 0.850 -2.564 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.895 0.526 -0.911 1.00 6.60 H new ATOM 0 HG LEU A 56 6.595 1.473 -2.338 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.513 -0.361 -4.071 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.879 0.741 -4.369 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.163 -0.845 -3.614 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.649 -0.707 -1.760 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.258 -1.278 -1.260 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.470 0.048 -0.374 1.00 8.64 H new ATOM 904 N SER A 57 11.098 3.381 -1.840 1.00 8.92 N ATOM 905 CA SER A 57 12.489 3.886 -1.639 1.00 9.00 C ATOM 906 C SER A 57 12.525 5.144 -0.792 1.00 9.44 C ATOM 907 O SER A 57 13.490 5.276 -0.079 1.00 10.91 O ATOM 908 CB SER A 57 13.225 4.177 -2.963 1.00 10.32 C ATOM 909 OG SER A 57 14.631 3.831 -2.899 1.00 13.59 O ATOM 0 H SER A 57 10.838 3.422 -2.825 1.00 8.92 H new ATOM 0 HA SER A 57 13.002 3.076 -1.121 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.752 3.617 -3.770 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.124 5.235 -3.207 1.00 10.32 H new ATOM 0 HG SER A 57 15.056 4.030 -3.759 1.00 13.59 H new ATOM 915 N ASP A 58 11.519 6.002 -0.951 1.00 9.11 N ATOM 916 CA ASP A 58 11.408 7.353 -0.266 1.00 7.91 C ATOM 917 C ASP A 58 11.114 7.109 1.226 1.00 9.12 C ATOM 918 O ASP A 58 11.580 7.861 2.121 1.00 8.61 O ATOM 919 CB ASP A 58 10.229 8.166 -0.842 1.00 8.41 C ATOM 920 CG ASP A 58 10.504 8.807 -2.229 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.052 9.903 -2.322 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.065 8.288 -3.316 1.00 11.70 O ATOM 0 H ASP A 58 10.728 5.804 -1.564 1.00 9.11 H new ATOM 0 HA ASP A 58 12.337 7.902 -0.418 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.360 7.513 -0.924 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.970 8.955 -0.136 1.00 8.41 H new ATOM 927 N TYR A 59 10.274 6.096 1.481 1.00 7.97 N ATOM 928 CA TYR A 59 9.772 5.738 2.791 1.00 8.45 C ATOM 929 C TYR A 59 10.626 4.676 3.497 1.00 10.98 C ATOM 930 O TYR A 59 10.383 4.471 4.724 1.00 12.95 O ATOM 931 CB TYR A 59 8.295 5.291 2.729 1.00 7.94 C ATOM 932 CG TYR A 59 7.370 6.431 2.368 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.395 7.591 3.213 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.474 6.393 1.334 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.537 8.601 2.971 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.537 7.443 1.061 1.00 6.52 C ATOM 937 CZ TYR A 59 5.630 8.598 1.957 1.00 6.76 C ATOM 938 OH TYR A 59 4.690 9.618 1.816 1.00 7.63 O ATOM 0 H TYR A 59 9.919 5.487 0.743 1.00 7.97 H new ATOM 0 HA TYR A 59 9.838 6.646 3.391 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.189 4.492 1.995 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.001 4.878 3.694 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.094 7.653 4.034 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.473 5.526 0.690 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.571 9.464 3.620 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.818 7.387 0.257 1.00 6.52 H new ATOM 0 HH TYR A 59 5.111 10.395 1.392 1.00 7.63 H new ATOM 948 N ASN A 60 11.657 4.182 2.790 1.00 12.38 N ATOM 949 CA ASN A 60 12.603 3.126 3.280 1.00 13.94 C ATOM 950 C ASN A 60 11.910 1.869 3.616 1.00 14.16 C ATOM 951 O ASN A 60 12.277 1.241 4.576 1.00 14.26 O ATOM 952 CB ASN A 60 13.637 3.476 4.379 1.00 19.23 C ATOM 953 CG ASN A 60 14.455 4.691 3.848 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.240 5.775 4.325 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.272 4.475 2.795 1.00 24.09 N ATOM 0 H ASN A 60 11.873 4.501 1.845 1.00 12.38 H new ATOM 0 HA ASN A 60 13.230 3.014 2.396 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.138 3.724 5.316 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.290 2.627 4.581 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.752 5.259 2.353 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.409 3.528 2.441 1.00 24.09 H new ATOM 962 N ILE A 61 10.888 1.449 2.880 1.00 11.08 N ATOM 963 CA ILE A 61 10.119 0.243 3.078 1.00 11.78 C ATOM 964 C ILE A 61 11.014 -0.831 2.411 1.00 13.74 C ATOM 965 O ILE A 61 11.492 -0.614 1.278 1.00 14.60 O ATOM 966 CB ILE A 61 8.695 0.221 2.368 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.762 1.348 2.897 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.077 -1.119 2.662 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.629 1.615 1.955 1.00 11.42 C ATOM 0 H ILE A 61 10.559 1.984 2.076 1.00 11.08 H new ATOM 0 HA ILE A 61 9.894 0.109 4.136 1.00 11.78 H new ATOM 0 HB ILE A 61 8.821 0.387 1.298 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.366 1.065 3.872 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.339 2.261 3.040 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.095 -1.178 2.192 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.716 -1.909 2.267 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.971 -1.242 3.740 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.999 2.408 2.359 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.025 1.923 0.987 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.037 0.708 1.832 1.00 11.42 H new ATOM 981 N GLN A 62 11.286 -1.903 3.124 1.00 13.97 N ATOM 982 CA GLN A 62 12.159 -2.967 2.713 1.00 15.52 C ATOM 983 C GLN A 62 11.347 -4.194 2.530 1.00 13.94 C ATOM 984 O GLN A 62 10.113 -4.192 2.788 1.00 12.15 O ATOM 985 CB GLN A 62 13.221 -3.274 3.696 1.00 19.53 C ATOM 986 CG GLN A 62 14.167 -2.064 3.912 1.00 26.38 C ATOM 987 CD GLN A 62 15.447 -2.587 4.524 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.527 -3.042 5.670 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.591 -2.415 3.767 1.00 32.71 N ATOM 0 H GLN A 62 10.883 -2.058 4.048 1.00 13.97 H new ATOM 0 HA GLN A 62 12.645 -2.640 1.794 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.767 -3.556 4.646 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.799 -4.132 3.352 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.372 -1.564 2.965 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.703 -1.327 4.567 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.525 -2.039 2.821 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.501 -2.664 4.155 1.00 32.71 H new ATOM 998 N LYS A 63 11.997 -5.290 2.043 1.00 11.73 N ATOM 999 CA LYS A 63 11.529 -6.627 1.979 1.00 11.97 C ATOM 1000 C LYS A 63 10.927 -7.290 3.227 1.00 10.41 C ATOM 1001 O LYS A 63 11.393 -7.031 4.328 1.00 9.59 O ATOM 1002 CB LYS A 63 12.687 -7.556 1.415 1.00 13.73 C ATOM 1003 CG LYS A 63 13.849 -7.823 2.367 1.00 16.98 C ATOM 1004 CD LYS A 63 14.842 -8.826 1.773 1.00 20.19 C ATOM 1005 CE LYS A 63 16.012 -9.232 2.654 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.920 -8.127 3.031 1.00 25.97 N ATOM 0 H LYS A 63 12.940 -5.208 1.663 1.00 11.73 H new ATOM 0 HA LYS A 63 10.662 -6.531 1.326 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.251 -8.513 1.127 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.083 -7.100 0.508 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.363 -6.887 2.587 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.465 -8.206 3.313 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.293 -9.727 1.500 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.241 -8.404 0.851 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.622 -9.689 3.564 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.590 -9.997 2.136 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.686 -8.496 3.630 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.326 -7.703 2.172 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.388 -7.404 3.556 1.00 25.97 H new ATOM 1020 N GLU A 64 9.853 -8.063 3.030 1.00 10.04 N ATOM 1021 CA GLU A 64 9.118 -8.867 4.049 1.00 10.94 C ATOM 1022 C GLU A 64 8.751 -8.022 5.336 1.00 9.74 C ATOM 1023 O GLU A 64 8.950 -8.394 6.515 1.00 9.42 O ATOM 1024 CB GLU A 64 9.801 -10.225 4.361 1.00 18.31 C ATOM 1025 CG GLU A 64 9.713 -11.215 3.159 1.00 24.16 C ATOM 1026 CD GLU A 64 10.389 -12.506 3.510 1.00 29.00 C ATOM 1027 OE1 GLU A 64 9.990 -13.126 4.530 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.374 -12.856 2.832 1.00 32.61 O ATOM 0 H GLU A 64 9.438 -8.159 2.103 1.00 10.04 H new ATOM 0 HA GLU A 64 8.163 -9.136 3.598 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.847 -10.054 4.614 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.331 -10.674 5.236 1.00 18.31 H new ATOM 0 HG2 GLU A 64 8.669 -11.399 2.904 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.184 -10.775 2.280 1.00 24.16 H new ATOM 1035 N SER A 65 8.299 -6.761 5.068 1.00 6.85 N ATOM 1036 CA SER A 65 8.001 -5.715 5.987 1.00 6.90 C ATOM 1037 C SER A 65 6.516 -5.624 5.966 1.00 4.72 C ATOM 1038 O SER A 65 5.836 -5.866 4.969 1.00 3.91 O ATOM 1039 CB SER A 65 8.704 -4.380 5.575 1.00 7.28 C ATOM 1040 OG SER A 65 8.517 -3.397 6.628 1.00 10.56 O ATOM 0 H SER A 65 8.132 -6.465 4.106 1.00 6.85 H new ATOM 0 HA SER A 65 8.371 -5.911 6.993 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.767 -4.552 5.406 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.288 -4.010 4.638 1.00 7.28 H new ATOM 0 HG SER A 65 8.957 -2.559 6.375 1.00 10.56 H new ATOM 1046 N THR A 66 6.000 -5.136 7.105 1.00 4.48 N ATOM 1047 CA THR A 66 4.527 -4.943 7.373 1.00 3.80 C ATOM 1048 C THR A 66 4.052 -3.536 6.965 1.00 4.60 C ATOM 1049 O THR A 66 4.252 -2.564 7.718 1.00 5.33 O ATOM 1050 CB THR A 66 4.196 -5.141 8.852 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.685 -6.422 9.310 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.740 -5.159 9.177 1.00 3.40 C ATOM 0 H THR A 66 6.586 -4.854 7.891 1.00 4.48 H new ATOM 0 HA THR A 66 4.012 -5.693 6.773 1.00 3.80 H new ATOM 0 HB THR A 66 4.666 -4.284 9.335 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.468 -6.535 10.259 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.608 -5.305 10.249 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.289 -4.212 8.881 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.257 -5.974 8.638 1.00 3.40 H new ATOM 1060 N LEU A 67 3.421 -3.415 5.787 1.00 4.17 N ATOM 1061 CA LEU A 67 2.471 -2.456 5.349 1.00 3.85 C ATOM 1062 C LEU A 67 1.088 -2.718 5.972 1.00 3.80 C ATOM 1063 O LEU A 67 0.711 -3.858 6.272 1.00 5.54 O ATOM 1064 CB LEU A 67 2.333 -2.442 3.834 1.00 7.18 C ATOM 1065 CG LEU A 67 3.247 -1.443 3.106 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.581 -0.040 3.133 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.697 -1.394 3.615 1.00 11.66 C ATOM 0 H LEU A 67 3.611 -4.089 5.045 1.00 4.17 H new ATOM 0 HA LEU A 67 2.842 -1.485 5.677 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.541 -3.443 3.456 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.297 -2.215 3.581 1.00 7.18 H new ATOM 0 HG LEU A 67 3.347 -1.799 2.081 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.221 0.677 2.619 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.614 -0.087 2.632 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.440 0.276 4.167 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.260 -0.660 3.038 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.704 -1.111 4.668 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.156 -2.376 3.500 1.00 11.66 H new ATOM 1079 N HIS A 68 0.264 -1.652 6.186 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.041 -1.828 6.772 1.00 4.17 C ATOM 1081 C HIS A 68 -2.033 -1.304 5.755 1.00 5.32 C ATOM 1082 O HIS A 68 -1.806 -0.252 5.137 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.198 -0.986 8.024 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.161 -1.225 9.060 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.192 -1.009 8.851 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.275 -1.878 10.251 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.857 -1.552 9.874 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.989 -2.062 10.764 1.00 16.30 N ATOM 0 H HIS A 68 0.501 -0.687 5.956 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.191 -2.876 7.031 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.178 0.067 7.743 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.179 -1.181 8.458 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.198 -2.196 10.713 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.932 -1.577 9.971 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.223 -2.503 11.653 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.140 -1.960 5.587 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.137 -1.461 4.600 1.00 3.97 C ATOM 1098 C LEU A 69 -5.375 -1.167 5.450 1.00 5.07 C ATOM 1099 O LEU A 69 -5.898 -1.987 6.185 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.501 -2.455 3.423 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.626 -2.068 2.367 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.351 -2.786 1.003 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.015 -2.471 2.839 1.00 9.96 C ATOM 0 H LEU A 69 -3.400 -2.812 6.083 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.725 -0.602 4.071 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.584 -2.643 2.864 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.797 -3.400 3.878 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.592 -0.985 2.252 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.126 -2.515 0.286 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.378 -2.478 0.619 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.357 -3.866 1.153 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.751 -2.187 2.087 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.049 -3.550 2.991 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.241 -1.965 3.777 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.850 0.072 5.175 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.907 0.711 5.811 1.00 6.26 C ATOM 1117 C VAL A 70 -7.885 1.164 4.723 1.00 9.22 C ATOM 1118 O VAL A 70 -7.537 1.159 3.573 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.380 1.821 6.734 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.412 2.674 7.565 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.327 1.226 7.669 1.00 8.54 C ATOM 0 H VAL A 70 -5.439 0.649 4.441 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.457 0.051 6.482 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.980 2.558 6.038 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.877 3.412 8.163 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.094 3.184 6.885 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -7.980 2.017 8.223 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -4.945 2.005 8.329 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.777 0.433 8.266 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.507 0.816 7.079 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.149 1.496 5.110 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.034 1.924 4.056 1.00 16.06 C ATOM 1133 C LEU A 71 -10.360 3.332 4.189 1.00 18.09 C ATOM 1134 O LEU A 71 -10.554 3.884 5.290 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.215 0.920 3.827 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.714 -0.486 3.396 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.881 -1.460 3.268 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.005 -0.506 2.027 1.00 19.57 C ATOM 0 H LEU A 71 -9.527 1.473 6.057 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.518 1.878 3.097 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.797 0.831 4.744 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.883 1.316 3.062 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.009 -0.771 4.176 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.507 -2.438 2.965 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.389 -1.547 4.228 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.582 -1.092 2.519 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.685 -1.522 1.798 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.693 -0.159 1.256 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.135 0.150 2.058 1.00 19.57 H new