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 113:sc= 0.643 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.57 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -132:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 80:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.331 (180deg=-1.4) USER MOD Single : A 1 MET N :NH3+ 175:sc= 2.42 (180deg=2.27) USER MOD Single : A 2 GLN : amide:sc= -0.35 K(o=-0.35,f=-1.4!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0296 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= 0.764 (180deg=-0.279!) USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.0692 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.477 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 2.33 (180deg=1.78) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.51 K(o=-0.51,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0343 (180deg=-0.304) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 41 GLN : amide:sc= 0.243 K(o=0.24,f=-0.51) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.279 K(o=-0.28,f=-0.83) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.945 USER MOD Single : A 60 ASN : amide:sc= -0.0135 K(o=-0.014,f=-1) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0.875 (180deg=0.719) USER MOD Single : A 65 SER OG : rot 88:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.164 K(o=0.16,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.327 -7.004 -5.415 1.00 9.67 N ATOM 2 CA MET A 1 11.418 -6.817 -3.955 1.00 10.38 C ATOM 3 C MET A 1 10.153 -7.314 -3.255 1.00 9.62 C ATOM 4 O MET A 1 9.078 -6.930 -3.692 1.00 9.62 O ATOM 5 CB MET A 1 11.652 -5.301 -3.717 1.00 13.77 C ATOM 6 CG MET A 1 11.554 -4.946 -2.199 1.00 16.29 C ATOM 7 SD MET A 1 11.991 -3.192 -1.866 1.00 17.17 S ATOM 8 CE MET A 1 10.433 -2.318 -2.227 1.00 16.11 C ATOM 0 H1 MET A 1 12.161 -6.582 -5.872 1.00 9.67 H new ATOM 0 H2 MET A 1 11.290 -8.020 -5.633 1.00 9.67 H new ATOM 0 H3 MET A 1 10.466 -6.542 -5.771 1.00 9.67 H new ATOM 0 HA MET A 1 12.238 -7.400 -3.534 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.634 -5.018 -4.097 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.915 -4.724 -4.276 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.541 -5.139 -1.847 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.218 -5.598 -1.632 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.450 -1.335 -1.757 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.322 -2.203 -3.305 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.594 -2.893 -1.835 1.00 16.11 H new ATOM 20 N GLN A 2 10.243 -8.101 -2.212 1.00 9.27 N ATOM 21 CA GLN A 2 9.094 -8.563 -1.473 1.00 9.07 C ATOM 22 C GLN A 2 8.623 -7.550 -0.420 1.00 8.72 C ATOM 23 O GLN A 2 9.448 -6.916 0.264 1.00 8.22 O ATOM 24 CB GLN A 2 9.403 -9.847 -0.737 1.00 14.46 C ATOM 25 CG GLN A 2 8.309 -10.432 0.195 1.00 17.01 C ATOM 26 CD GLN A 2 8.573 -11.878 0.634 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.372 -12.148 1.538 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.164 -12.877 -0.145 1.00 19.49 N ATOM 0 H GLN A 2 11.131 -8.444 -1.846 1.00 9.27 H new ATOM 0 HA GLN A 2 8.311 -8.711 -2.217 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.651 -10.606 -1.479 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.299 -9.682 -0.138 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.227 -9.803 1.081 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.348 -10.388 -0.317 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.505 -12.696 -0.902 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.510 -13.823 0.015 1.00 19.49 H new ATOM 37 N ILE A 3 7.268 -7.472 -0.132 1.00 5.87 N ATOM 38 CA ILE A 3 6.779 -6.631 1.003 1.00 5.07 C ATOM 39 C ILE A 3 5.419 -7.404 1.283 1.00 4.01 C ATOM 40 O ILE A 3 5.055 -8.356 0.563 1.00 4.61 O ATOM 41 CB ILE A 3 6.514 -5.176 0.811 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.478 -4.848 -0.322 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.754 -4.345 0.519 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.981 -3.447 -0.443 1.00 10.83 C ATOM 0 H ILE A 3 6.538 -7.961 -0.650 1.00 5.87 H new ATOM 0 HA ILE A 3 7.545 -6.551 1.775 1.00 5.07 H new ATOM 0 HB ILE A 3 6.102 -4.903 1.783 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.929 -5.124 -1.275 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.613 -5.496 -0.179 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.470 -3.300 0.393 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.455 -4.433 1.349 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.226 -4.705 -0.395 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.274 -3.382 -1.270 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.484 -3.156 0.483 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.821 -2.778 -0.630 1.00 10.83 H new ATOM 56 N PHE A 4 4.742 -7.031 2.409 1.00 4.55 N ATOM 57 CA PHE A 4 3.518 -7.693 2.896 1.00 4.68 C ATOM 58 C PHE A 4 2.422 -6.645 3.092 1.00 5.30 C ATOM 59 O PHE A 4 2.650 -5.568 3.608 1.00 5.58 O ATOM 60 CB PHE A 4 3.685 -8.426 4.199 1.00 4.83 C ATOM 61 CG PHE A 4 4.799 -9.480 4.187 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.495 -10.779 3.649 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.150 -9.188 4.500 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.506 -11.713 3.428 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.165 -10.100 4.303 1.00 10.61 C ATOM 66 CZ PHE A 4 6.841 -11.330 3.718 1.00 8.90 C ATOM 0 H PHE A 4 5.042 -6.256 3.000 1.00 4.55 H new ATOM 0 HA PHE A 4 3.262 -8.432 2.137 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.893 -7.702 4.987 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.743 -8.912 4.454 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.472 -11.034 3.414 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.393 -8.218 4.907 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.280 -12.698 3.048 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.181 -9.872 4.592 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.640 -12.016 3.478 1.00 8.90 H new ATOM 76 N VAL A 5 1.115 -6.852 2.704 1.00 4.44 N ATOM 77 CA VAL A 5 -0.035 -5.981 2.956 1.00 3.87 C ATOM 78 C VAL A 5 -1.185 -6.666 3.805 1.00 4.93 C ATOM 79 O VAL A 5 -1.788 -7.716 3.481 1.00 6.84 O ATOM 80 CB VAL A 5 -0.594 -5.344 1.698 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.772 -4.450 2.079 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.593 -4.641 1.054 1.00 9.13 C ATOM 0 H VAL A 5 0.849 -7.685 2.179 1.00 4.44 H new ATOM 0 HA VAL A 5 0.373 -5.179 3.571 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.012 -6.040 0.970 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.182 -3.986 1.182 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.543 -5.050 2.562 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.433 -3.674 2.766 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.271 -4.153 0.134 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.990 -3.894 1.741 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.368 -5.372 0.825 1.00 9.13 H new ATOM 92 N LYS A 6 -1.483 -6.007 4.954 1.00 6.04 N ATOM 93 CA LYS A 6 -2.463 -6.590 5.870 1.00 6.12 C ATOM 94 C LYS A 6 -3.815 -5.959 5.658 1.00 6.57 C ATOM 95 O LYS A 6 -4.031 -4.808 5.961 1.00 5.76 O ATOM 96 CB LYS A 6 -1.945 -6.317 7.322 1.00 7.45 C ATOM 97 CG LYS A 6 -2.838 -6.872 8.474 1.00 11.12 C ATOM 98 CD LYS A 6 -2.691 -8.377 8.678 1.00 14.54 C ATOM 99 CE LYS A 6 -1.305 -8.841 9.221 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.407 -10.209 9.539 1.00 20.55 N ATOM 0 H LYS A 6 -1.077 -5.119 5.247 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.575 -7.660 5.697 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.949 -6.748 7.420 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.841 -5.240 7.454 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.583 -6.360 9.402 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.881 -6.641 8.259 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.465 -8.711 9.369 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.876 -8.876 7.727 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.528 -8.679 8.474 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.026 -8.263 10.102 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.012 -10.375 10.487 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.407 -10.495 9.525 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.877 -10.768 8.840 1.00 20.55 H new ATOM 114 N THR A 7 -4.752 -6.782 5.113 1.00 7.41 N ATOM 115 CA THR A 7 -6.062 -6.456 4.780 1.00 7.48 C ATOM 116 C THR A 7 -6.964 -6.120 5.975 1.00 8.75 C ATOM 117 O THR A 7 -6.643 -6.282 7.151 1.00 8.58 O ATOM 118 CB THR A 7 -6.759 -7.281 3.725 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.294 -8.424 4.306 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.683 -7.645 2.657 1.00 9.17 C ATOM 0 H THR A 7 -4.538 -7.756 4.900 1.00 7.41 H new ATOM 0 HA THR A 7 -5.883 -5.521 4.249 1.00 7.48 H new ATOM 0 HB THR A 7 -7.581 -6.735 3.262 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.748 -8.958 3.621 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.140 -8.244 1.869 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.274 -6.731 2.226 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.882 -8.215 3.127 1.00 9.17 H new ATOM 128 N LEU A 8 -8.121 -5.629 5.612 1.00 9.84 N ATOM 129 CA LEU A 8 -9.180 -5.150 6.558 1.00 14.15 C ATOM 130 C LEU A 8 -9.771 -6.279 7.361 1.00 17.37 C ATOM 131 O LEU A 8 -10.055 -6.043 8.528 1.00 17.01 O ATOM 132 CB LEU A 8 -10.394 -4.524 5.805 1.00 16.63 C ATOM 133 CG LEU A 8 -10.004 -3.341 4.933 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.220 -2.804 4.170 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.404 -2.134 5.736 1.00 18.59 C ATOM 0 H LEU A 8 -8.391 -5.535 4.633 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.674 -4.422 7.192 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.863 -5.287 5.184 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.140 -4.203 6.532 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.240 -3.732 4.261 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.918 -1.958 3.553 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.627 -3.590 3.534 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.982 -2.481 4.880 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.150 -1.329 5.047 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.138 -1.776 6.457 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.506 -2.458 6.263 1.00 18.59 H new ATOM 147 N THR A 9 -9.809 -7.501 6.778 1.00 18.33 N ATOM 148 CA THR A 9 -10.173 -8.736 7.461 1.00 19.24 C ATOM 149 C THR A 9 -8.963 -9.490 8.082 1.00 19.48 C ATOM 150 O THR A 9 -9.035 -10.670 8.502 1.00 23.14 O ATOM 151 CB THR A 9 -11.008 -9.693 6.608 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.283 -10.288 5.482 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.225 -9.004 6.007 1.00 19.70 C ATOM 0 H THR A 9 -9.579 -7.644 5.795 1.00 18.33 H new ATOM 0 HA THR A 9 -10.804 -8.392 8.281 1.00 19.24 H new ATOM 0 HB THR A 9 -11.289 -10.475 7.313 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.881 -10.887 4.988 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.790 -9.719 5.409 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.858 -8.620 6.807 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.900 -8.178 5.374 1.00 19.70 H new ATOM 161 N GLY A 10 -7.807 -8.822 8.066 1.00 19.43 N ATOM 162 CA GLY A 10 -6.675 -9.434 8.789 1.00 18.74 C ATOM 163 C GLY A 10 -5.778 -10.298 7.883 1.00 17.62 C ATOM 164 O GLY A 10 -4.954 -11.006 8.429 1.00 19.74 O ATOM 0 H GLY A 10 -7.628 -7.931 7.604 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.073 -8.647 9.243 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.060 -10.049 9.602 1.00 18.74 H new ATOM 168 N LYS A 11 -6.009 -10.326 6.578 1.00 13.56 N ATOM 169 CA LYS A 11 -5.221 -11.239 5.728 1.00 11.91 C ATOM 170 C LYS A 11 -3.978 -10.620 5.296 1.00 10.18 C ATOM 171 O LYS A 11 -3.936 -9.507 4.744 1.00 9.10 O ATOM 172 CB LYS A 11 -6.071 -11.590 4.452 1.00 13.43 C ATOM 173 CG LYS A 11 -5.508 -12.678 3.578 1.00 16.69 C ATOM 174 CD LYS A 11 -6.441 -13.051 2.427 1.00 17.92 C ATOM 175 CE LYS A 11 -6.650 -11.863 1.432 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.441 -12.362 0.297 1.00 21.93 N ATOM 0 H LYS A 11 -6.702 -9.758 6.091 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.982 -12.131 6.306 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.070 -11.886 4.772 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.183 -10.687 3.852 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.549 -12.354 3.173 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.315 -13.563 4.185 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.030 -13.906 1.890 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.406 -13.361 2.829 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.166 -11.039 1.924 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.690 -11.479 1.089 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.062 -11.971 -0.589 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.389 -13.400 0.267 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.432 -12.068 0.409 1.00 21.93 H new ATOM 190 N THR A 12 -2.914 -11.416 5.339 1.00 9.63 N ATOM 191 CA THR A 12 -1.647 -10.958 4.929 1.00 9.85 C ATOM 192 C THR A 12 -1.466 -11.368 3.500 1.00 11.66 C ATOM 193 O THR A 12 -1.572 -12.534 3.165 1.00 12.33 O ATOM 194 CB THR A 12 -0.448 -11.499 5.766 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.664 -11.371 7.176 1.00 10.91 O ATOM 196 CG2 THR A 12 0.852 -10.679 5.549 1.00 9.63 C ATOM 0 H THR A 12 -2.934 -12.384 5.661 1.00 9.63 H new ATOM 0 HA THR A 12 -1.636 -9.878 5.073 1.00 9.85 H new ATOM 0 HB THR A 12 -0.360 -12.534 5.436 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.242 -12.099 7.486 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.653 -11.100 6.156 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.135 -10.717 4.497 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.682 -9.643 5.841 1.00 9.63 H new ATOM 204 N ILE A 13 -1.243 -10.430 2.578 1.00 10.42 N ATOM 205 CA ILE A 13 -1.004 -10.678 1.196 1.00 11.84 C ATOM 206 C ILE A 13 0.400 -10.230 0.882 1.00 10.55 C ATOM 207 O ILE A 13 0.821 -9.111 1.265 1.00 11.92 O ATOM 208 CB ILE A 13 -1.974 -10.131 0.193 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.329 -8.649 0.267 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.304 -11.031 0.236 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.767 -7.904 -0.964 1.00 16.46 C ATOM 0 H ILE A 13 -1.228 -9.436 2.808 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.154 -11.751 1.077 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.446 -10.190 -0.759 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.125 -8.546 1.005 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.457 -8.129 0.664 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.025 -10.650 -0.487 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.053 -12.063 -0.011 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.738 -10.992 1.235 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.974 -6.865 -0.706 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -1.976 -7.942 -1.713 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.669 -8.365 -1.366 1.00 16.46 H new ATOM 223 N THR A 14 1.189 -11.173 0.268 1.00 9.39 N ATOM 224 CA THR A 14 2.554 -10.826 -0.183 1.00 9.63 C ATOM 225 C THR A 14 2.596 -10.159 -1.559 1.00 11.20 C ATOM 226 O THR A 14 1.974 -10.582 -2.569 1.00 11.63 O ATOM 227 CB THR A 14 3.493 -11.948 -0.265 1.00 10.38 C ATOM 228 OG1 THR A 14 3.365 -12.908 0.807 1.00 16.30 O ATOM 229 CG2 THR A 14 4.963 -11.460 -0.278 1.00 11.66 C ATOM 0 H THR A 14 0.906 -12.136 0.086 1.00 9.39 H new ATOM 0 HA THR A 14 2.863 -10.141 0.607 1.00 9.63 H new ATOM 0 HB THR A 14 3.233 -12.442 -1.201 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.944 -12.645 1.553 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.631 -12.319 -0.339 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.124 -10.813 -1.140 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.170 -10.904 0.637 1.00 11.66 H new ATOM 237 N LEU A 15 3.350 -9.057 -1.688 1.00 8.29 N ATOM 238 CA LEU A 15 3.633 -8.285 -2.920 1.00 9.03 C ATOM 239 C LEU A 15 4.995 -8.473 -3.393 1.00 8.59 C ATOM 240 O LEU A 15 5.946 -8.721 -2.629 1.00 7.79 O ATOM 241 CB LEU A 15 3.272 -6.830 -2.766 1.00 11.08 C ATOM 242 CG LEU A 15 1.923 -6.526 -2.274 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.544 -5.017 -2.347 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.670 -7.283 -2.811 1.00 15.27 C ATOM 0 H LEU A 15 3.815 -8.647 -0.878 1.00 8.29 H new ATOM 0 HA LEU A 15 2.985 -8.688 -3.699 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.991 -6.373 -2.087 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.396 -6.346 -3.735 1.00 11.08 H new ATOM 0 HG LEU A 15 2.100 -6.908 -1.269 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.533 -4.877 -1.965 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.243 -4.437 -1.745 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.591 -4.680 -3.382 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.224 -6.904 -2.315 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.583 -7.126 -3.886 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.774 -8.349 -2.607 1.00 15.27 H new ATOM 256 N GLU A 16 5.185 -8.377 -4.723 1.00 11.04 N ATOM 257 CA GLU A 16 6.541 -8.349 -5.345 1.00 11.50 C ATOM 258 C GLU A 16 6.619 -6.968 -6.100 1.00 10.13 C ATOM 259 O GLU A 16 5.883 -6.747 -7.059 1.00 9.83 O ATOM 260 CB GLU A 16 6.795 -9.503 -6.306 1.00 17.22 C ATOM 261 CG GLU A 16 8.250 -9.663 -6.745 1.00 23.33 C ATOM 262 CD GLU A 16 9.323 -10.089 -5.711 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.985 -10.864 -4.785 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.433 -9.482 -5.767 1.00 28.86 O ATOM 0 H GLU A 16 4.421 -8.317 -5.396 1.00 11.04 H new ATOM 0 HA GLU A 16 7.307 -8.460 -4.578 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.469 -10.429 -5.833 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.176 -9.362 -7.192 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.268 -10.395 -7.552 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.568 -8.711 -7.171 1.00 23.33 H new ATOM 271 N VAL A 17 7.537 -6.057 -5.730 1.00 8.99 N ATOM 272 CA VAL A 17 7.610 -4.636 -6.184 1.00 8.85 C ATOM 273 C VAL A 17 8.961 -4.257 -6.601 1.00 8.04 C ATOM 274 O VAL A 17 9.875 -5.008 -6.477 1.00 8.99 O ATOM 275 CB VAL A 17 7.133 -3.712 -5.115 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.660 -3.859 -4.704 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.899 -3.988 -3.801 1.00 10.54 C ATOM 0 H VAL A 17 8.286 -6.291 -5.078 1.00 8.99 H new ATOM 0 HA VAL A 17 6.956 -4.550 -7.052 1.00 8.85 H new ATOM 0 HB VAL A 17 7.291 -2.728 -5.556 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.427 -3.137 -3.921 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.021 -3.676 -5.568 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.485 -4.868 -4.331 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.546 -3.310 -3.024 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.727 -5.018 -3.489 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.966 -3.831 -3.962 1.00 10.54 H new ATOM 287 N GLU A 18 9.181 -3.047 -7.102 1.00 7.29 N ATOM 288 CA GLU A 18 10.448 -2.441 -7.421 1.00 7.08 C ATOM 289 C GLU A 18 10.424 -1.127 -6.626 1.00 6.45 C ATOM 290 O GLU A 18 9.382 -0.549 -6.452 1.00 5.28 O ATOM 291 CB GLU A 18 10.686 -2.082 -8.888 1.00 10.28 C ATOM 292 CG GLU A 18 10.936 -3.317 -9.828 1.00 12.65 C ATOM 293 CD GLU A 18 12.307 -3.887 -9.689 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.298 -3.151 -9.953 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.458 -5.125 -9.437 1.00 18.17 O ATOM 0 H GLU A 18 8.404 -2.419 -7.309 1.00 7.29 H new ATOM 0 HA GLU A 18 11.237 -3.155 -7.186 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.823 -1.528 -9.258 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.545 -1.414 -8.951 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.202 -4.091 -9.604 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.777 -3.017 -10.864 1.00 12.65 H new ATOM 302 N PRO A 19 11.481 -0.588 -6.026 1.00 7.24 N ATOM 303 CA PRO A 19 11.593 0.556 -5.155 1.00 7.07 C ATOM 304 C PRO A 19 11.090 1.832 -5.841 1.00 6.65 C ATOM 305 O PRO A 19 10.745 2.752 -5.122 1.00 6.37 O ATOM 306 CB PRO A 19 13.122 0.583 -4.674 1.00 7.61 C ATOM 307 CG PRO A 19 13.818 -0.085 -5.846 1.00 8.16 C ATOM 308 CD PRO A 19 12.799 -1.192 -6.180 1.00 7.49 C ATOM 0 HA PRO A 19 10.952 0.491 -4.276 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.482 1.598 -4.507 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.269 0.036 -3.743 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.976 0.599 -6.680 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.794 -0.487 -5.575 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.943 -1.560 -7.196 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.917 -2.045 -5.512 1.00 7.49 H new ATOM 316 N SER A 20 11.073 1.908 -7.193 1.00 6.80 N ATOM 317 CA SER A 20 10.729 3.084 -7.855 1.00 6.28 C ATOM 318 C SER A 20 9.244 2.976 -8.255 1.00 8.45 C ATOM 319 O SER A 20 8.725 3.874 -8.945 1.00 7.26 O ATOM 320 CB SER A 20 11.519 3.206 -9.178 1.00 8.57 C ATOM 321 OG SER A 20 11.595 1.959 -9.826 1.00 11.13 O ATOM 0 H SER A 20 11.305 1.130 -7.810 1.00 6.80 H new ATOM 0 HA SER A 20 10.938 3.933 -7.204 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.035 3.932 -9.831 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.523 3.578 -8.975 1.00 8.57 H new ATOM 0 HG SER A 20 12.097 2.055 -10.662 1.00 11.13 H new ATOM 327 N ASP A 21 8.532 1.895 -7.929 1.00 7.50 N ATOM 328 CA ASP A 21 7.075 1.825 -8.030 1.00 7.70 C ATOM 329 C ASP A 21 6.442 2.850 -7.118 1.00 7.08 C ATOM 330 O ASP A 21 6.870 3.034 -5.957 1.00 8.11 O ATOM 331 CB ASP A 21 6.460 0.433 -7.820 1.00 11.00 C ATOM 332 CG ASP A 21 7.015 -0.580 -8.834 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.259 -0.187 -9.974 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.974 -1.804 -8.566 1.00 18.03 O ATOM 0 H ASP A 21 8.957 1.035 -7.584 1.00 7.50 H new ATOM 0 HA ASP A 21 6.847 2.056 -9.071 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.670 0.089 -6.807 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.376 0.493 -7.918 1.00 11.00 H new ATOM 339 N THR A 22 5.408 3.554 -7.590 1.00 5.37 N ATOM 340 CA THR A 22 4.569 4.419 -6.830 1.00 6.01 C ATOM 341 C THR A 22 3.751 3.673 -5.818 1.00 8.01 C ATOM 342 O THR A 22 3.568 2.478 -5.980 1.00 8.11 O ATOM 343 CB THR A 22 3.815 5.402 -7.689 1.00 8.92 C ATOM 344 OG1 THR A 22 2.932 4.714 -8.546 1.00 10.22 O ATOM 345 CG2 THR A 22 4.699 6.343 -8.491 1.00 9.65 C ATOM 0 H THR A 22 5.138 3.517 -8.573 1.00 5.37 H new ATOM 0 HA THR A 22 5.213 5.057 -6.225 1.00 6.01 H new ATOM 0 HB THR A 22 3.260 6.037 -6.999 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.444 5.359 -9.100 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.075 7.015 -9.080 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.320 6.927 -7.811 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.337 5.763 -9.158 1.00 9.65 H new ATOM 353 N ILE A 23 3.367 4.391 -4.778 1.00 8.32 N ATOM 354 CA ILE A 23 2.439 3.961 -3.785 1.00 9.92 C ATOM 355 C ILE A 23 1.154 3.602 -4.577 1.00 10.01 C ATOM 356 O ILE A 23 0.510 2.551 -4.444 1.00 8.71 O ATOM 357 CB ILE A 23 2.182 4.903 -2.558 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.462 5.122 -1.691 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.043 4.289 -1.652 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.968 3.863 -0.972 1.00 12.30 C ATOM 0 H ILE A 23 3.719 5.333 -4.608 1.00 8.32 H new ATOM 0 HA ILE A 23 2.869 3.115 -3.250 1.00 9.92 H new ATOM 0 HB ILE A 23 1.882 5.873 -2.954 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.258 5.504 -2.331 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.254 5.891 -0.947 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.864 4.944 -0.799 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.127 4.193 -2.234 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.351 3.306 -1.297 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.859 4.107 -0.394 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.193 3.490 -0.303 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.212 3.097 -1.708 1.00 12.30 H new ATOM 372 N GLU A 24 0.742 4.464 -5.559 1.00 9.54 N ATOM 373 CA GLU A 24 -0.438 4.238 -6.443 1.00 11.81 C ATOM 374 C GLU A 24 -0.260 2.909 -7.184 1.00 11.14 C ATOM 375 O GLU A 24 -1.174 2.095 -7.116 1.00 10.62 O ATOM 376 CB GLU A 24 -0.606 5.487 -7.390 1.00 19.24 C ATOM 377 CG GLU A 24 -1.992 5.489 -8.039 1.00 27.76 C ATOM 378 CD GLU A 24 -2.117 6.409 -9.240 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.748 7.578 -9.093 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.503 5.971 -10.332 1.00 34.80 O ATOM 0 H GLU A 24 1.226 5.340 -5.757 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.364 4.150 -5.874 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.465 6.405 -6.819 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.163 5.471 -8.162 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -2.238 4.473 -8.347 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.730 5.783 -7.292 1.00 27.76 H new ATOM 387 N ASN A 25 0.855 2.633 -7.937 1.00 9.43 N ATOM 388 CA ASN A 25 1.194 1.402 -8.618 1.00 10.96 C ATOM 389 C ASN A 25 1.186 0.221 -7.728 1.00 9.68 C ATOM 390 O ASN A 25 0.808 -0.871 -8.165 1.00 9.33 O ATOM 391 CB ASN A 25 2.601 1.519 -9.202 1.00 16.78 C ATOM 392 CG ASN A 25 2.987 0.451 -10.218 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.782 -0.473 -9.964 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.522 0.521 -11.506 1.00 24.70 N ATOM 0 H ASN A 25 1.576 3.342 -8.074 1.00 9.43 H new ATOM 0 HA ASN A 25 0.435 1.259 -9.387 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.698 2.496 -9.675 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.318 1.490 -8.382 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.830 -0.163 -12.197 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.868 1.257 -11.773 1.00 24.70 H new ATOM 401 N VAL A 26 1.680 0.309 -6.504 1.00 6.52 N ATOM 402 CA VAL A 26 1.495 -0.730 -5.484 1.00 5.53 C ATOM 403 C VAL A 26 0.038 -0.924 -5.132 1.00 4.42 C ATOM 404 O VAL A 26 -0.413 -2.068 -5.002 1.00 3.40 O ATOM 405 CB VAL A 26 2.339 -0.561 -4.207 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.096 -1.713 -3.250 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.779 -0.638 -4.628 1.00 8.12 C ATOM 0 H VAL A 26 2.226 1.107 -6.180 1.00 6.52 H new ATOM 0 HA VAL A 26 1.874 -1.632 -5.964 1.00 5.53 H new ATOM 0 HB VAL A 26 2.083 0.379 -3.718 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.701 -1.575 -2.354 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.042 -1.741 -2.975 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.370 -2.651 -3.733 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.420 -0.523 -3.754 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.971 -1.604 -5.094 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.992 0.158 -5.342 1.00 8.12 H new ATOM 417 N LYS A 27 -0.787 0.153 -5.029 1.00 2.64 N ATOM 418 CA LYS A 27 -2.193 0.064 -4.729 1.00 4.14 C ATOM 419 C LYS A 27 -3.007 -0.583 -5.749 1.00 5.58 C ATOM 420 O LYS A 27 -3.946 -1.331 -5.457 1.00 4.11 O ATOM 421 CB LYS A 27 -2.861 1.406 -4.212 1.00 3.97 C ATOM 422 CG LYS A 27 -2.324 1.924 -2.866 1.00 7.45 C ATOM 423 CD LYS A 27 -3.183 3.094 -2.334 1.00 9.02 C ATOM 424 CE LYS A 27 -3.245 4.303 -3.168 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.126 5.279 -2.545 1.00 15.47 N ATOM 0 H LYS A 27 -0.462 1.111 -5.159 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.187 -0.615 -3.876 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.716 2.180 -4.966 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.935 1.247 -4.120 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.318 1.113 -2.138 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.292 2.252 -2.986 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.200 2.730 -2.187 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.801 3.377 -1.353 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.247 4.724 -3.291 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.610 4.052 -4.164 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.373 6.015 -3.237 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.993 4.806 -2.219 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.643 5.714 -1.733 1.00 15.47 H new ATOM 439 N ALA A 28 -2.673 -0.285 -7.028 1.00 6.61 N ATOM 440 CA ALA A 28 -3.208 -0.912 -8.213 1.00 7.74 C ATOM 441 C ALA A 28 -2.897 -2.448 -8.257 1.00 9.17 C ATOM 442 O ALA A 28 -3.769 -3.168 -8.757 1.00 11.45 O ATOM 443 CB ALA A 28 -2.561 -0.311 -9.489 1.00 7.68 C ATOM 0 H ALA A 28 -1.988 0.438 -7.248 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.284 -0.740 -8.181 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.977 -0.797 -10.371 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.767 0.758 -9.532 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.483 -0.472 -9.461 1.00 7.68 H new ATOM 449 N LYS A 29 -1.658 -2.903 -7.877 1.00 8.96 N ATOM 450 CA LYS A 29 -1.241 -4.308 -7.696 1.00 7.90 C ATOM 451 C LYS A 29 -2.096 -4.957 -6.605 1.00 6.92 C ATOM 452 O LYS A 29 -2.716 -6.076 -6.827 1.00 6.87 O ATOM 453 CB LYS A 29 0.287 -4.376 -7.364 1.00 10.28 C ATOM 454 CG LYS A 29 0.855 -5.827 -7.216 1.00 14.94 C ATOM 455 CD LYS A 29 2.414 -5.952 -7.177 1.00 19.69 C ATOM 456 CE LYS A 29 3.167 -5.384 -8.416 1.00 22.63 C ATOM 457 NZ LYS A 29 3.228 -6.300 -9.590 1.00 24.98 N ATOM 0 H LYS A 29 -0.895 -2.254 -7.683 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.397 -4.865 -8.620 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.840 -3.861 -8.150 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.469 -3.832 -6.437 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.452 -6.262 -6.301 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.483 -6.428 -8.046 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.779 -5.440 -6.287 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.673 -7.005 -7.068 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.683 -4.456 -8.723 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.185 -5.130 -8.119 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.747 -5.838 -10.364 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.717 -7.177 -9.321 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.263 -6.525 -9.906 1.00 24.98 H new ATOM 471 N ILE A 30 -2.330 -4.310 -5.450 1.00 4.57 N ATOM 472 CA ILE A 30 -3.310 -4.676 -4.399 1.00 5.58 C ATOM 473 C ILE A 30 -4.775 -4.760 -5.022 1.00 7.26 C ATOM 474 O ILE A 30 -5.531 -5.696 -4.773 1.00 9.46 O ATOM 475 CB ILE A 30 -3.137 -3.846 -3.163 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.747 -3.892 -2.625 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.170 -4.446 -2.105 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.384 -2.734 -1.752 1.00 2.00 C ATOM 0 H ILE A 30 -1.812 -3.466 -5.206 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.118 -5.683 -4.029 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.322 -2.794 -3.381 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.621 -4.813 -2.057 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.048 -3.935 -3.460 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.101 -3.887 -1.172 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.183 -4.368 -2.500 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -3.933 -5.494 -1.919 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.357 -2.848 -1.405 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.474 -1.808 -2.320 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.056 -2.701 -0.894 1.00 2.00 H new ATOM 490 N GLN A 31 -5.157 -3.827 -5.907 1.00 7.06 N ATOM 491 CA GLN A 31 -6.389 -3.892 -6.627 1.00 8.67 C ATOM 492 C GLN A 31 -6.543 -5.103 -7.571 1.00 10.90 C ATOM 493 O GLN A 31 -7.561 -5.806 -7.597 1.00 9.63 O ATOM 494 CB GLN A 31 -6.672 -2.603 -7.398 1.00 9.12 C ATOM 495 CG GLN A 31 -8.120 -2.518 -7.943 1.00 10.76 C ATOM 496 CD GLN A 31 -8.364 -1.240 -8.845 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.486 -0.486 -9.177 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.651 -1.105 -9.265 1.00 14.76 N ATOM 0 H GLN A 31 -4.595 -3.005 -6.129 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.131 -4.026 -5.840 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.486 -1.750 -6.746 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.973 -2.525 -8.231 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.337 -3.414 -8.525 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.818 -2.504 -7.106 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.361 -1.770 -8.956 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.906 -0.339 -9.889 1.00 14.76 H new ATOM 507 N ASP A 32 -5.489 -5.487 -8.283 1.00 10.93 N ATOM 508 CA ASP A 32 -5.586 -6.743 -9.035 1.00 14.01 C ATOM 509 C ASP A 32 -5.822 -8.031 -8.168 1.00 14.04 C ATOM 510 O ASP A 32 -6.523 -8.970 -8.548 1.00 13.39 O ATOM 511 CB ASP A 32 -4.316 -6.849 -9.953 1.00 18.01 C ATOM 512 CG ASP A 32 -4.425 -7.953 -11.053 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.303 -7.793 -11.944 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.666 -8.967 -10.977 1.00 26.29 O ATOM 0 H ASP A 32 -4.604 -4.985 -8.359 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.494 -6.703 -9.637 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.145 -5.886 -10.434 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.445 -7.054 -9.331 1.00 18.01 H new ATOM 519 N LYS A 33 -5.248 -8.141 -6.972 1.00 14.22 N ATOM 520 CA LYS A 33 -5.417 -9.198 -5.997 1.00 14.00 C ATOM 521 C LYS A 33 -6.776 -9.121 -5.356 1.00 12.37 C ATOM 522 O LYS A 33 -7.498 -10.113 -5.373 1.00 12.17 O ATOM 523 CB LYS A 33 -4.362 -9.012 -4.920 1.00 18.62 C ATOM 524 CG LYS A 33 -3.038 -9.507 -5.435 1.00 24.00 C ATOM 525 CD LYS A 33 -2.054 -9.548 -4.294 1.00 27.61 C ATOM 526 CE LYS A 33 -0.743 -10.242 -4.717 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.950 -11.678 -5.051 1.00 30.06 N ATOM 0 H LYS A 33 -4.599 -7.428 -6.639 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.319 -10.165 -6.491 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.288 -7.960 -4.644 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.643 -9.559 -4.020 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.151 -10.500 -5.871 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.672 -8.851 -6.225 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.840 -8.534 -3.957 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.494 -10.078 -3.449 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.323 -9.727 -5.581 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.014 -10.159 -3.911 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.034 -12.171 -5.048 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.579 -12.111 -4.345 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.382 -11.756 -5.994 1.00 30.06 H new ATOM 541 N GLU A 34 -7.163 -7.910 -4.777 1.00 10.11 N ATOM 542 CA GLU A 34 -8.312 -7.791 -3.866 1.00 10.07 C ATOM 543 C GLU A 34 -9.471 -6.870 -4.280 1.00 9.32 C ATOM 544 O GLU A 34 -10.492 -6.872 -3.589 1.00 11.61 O ATOM 545 CB GLU A 34 -7.856 -7.363 -2.512 1.00 14.77 C ATOM 546 CG GLU A 34 -6.758 -8.300 -1.870 1.00 18.75 C ATOM 547 CD GLU A 34 -7.318 -9.660 -1.455 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.165 -9.698 -0.493 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.860 -10.746 -1.959 1.00 25.19 O ATOM 0 H GLU A 34 -6.678 -7.029 -4.945 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.728 -8.798 -3.890 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.459 -6.350 -2.578 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.718 -7.324 -1.846 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.948 -8.447 -2.584 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.329 -7.806 -0.998 1.00 18.75 H new ATOM 556 N GLY A 35 -9.364 -6.114 -5.390 1.00 7.22 N ATOM 557 CA GLY A 35 -10.464 -5.401 -5.996 1.00 6.29 C ATOM 558 C GLY A 35 -10.717 -4.113 -5.303 1.00 6.93 C ATOM 559 O GLY A 35 -11.668 -3.399 -5.669 1.00 7.41 O ATOM 0 H GLY A 35 -8.483 -5.991 -5.888 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.244 -5.214 -7.047 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.362 -6.017 -5.963 1.00 6.29 H new ATOM 563 N ILE A 36 -9.889 -3.588 -4.369 1.00 5.86 N ATOM 564 CA ILE A 36 -10.164 -2.299 -3.734 1.00 6.07 C ATOM 565 C ILE A 36 -9.445 -1.185 -4.488 1.00 6.36 C ATOM 566 O ILE A 36 -8.198 -1.228 -4.601 1.00 6.18 O ATOM 567 CB ILE A 36 -9.730 -2.311 -2.263 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.397 -3.470 -1.479 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.114 -0.934 -1.604 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.776 -3.622 -0.029 1.00 9.49 C ATOM 0 H ILE A 36 -9.034 -4.042 -4.047 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.238 -2.118 -3.769 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.651 -2.463 -2.224 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.469 -3.288 -1.400 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.272 -4.403 -2.029 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.809 -0.934 -0.558 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.607 -0.125 -2.130 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.192 -0.788 -1.668 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.267 -4.444 0.493 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.709 -3.829 -0.110 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.924 -2.698 0.529 1.00 9.49 H new ATOM 582 N PRO A 37 -10.122 -0.092 -4.981 1.00 8.65 N ATOM 583 CA PRO A 37 -9.590 0.749 -5.991 1.00 9.18 C ATOM 584 C PRO A 37 -8.702 1.748 -5.208 1.00 9.85 C ATOM 585 O PRO A 37 -9.081 2.159 -4.129 1.00 8.51 O ATOM 586 CB PRO A 37 -10.805 1.392 -6.669 1.00 11.42 C ATOM 587 CG PRO A 37 -11.871 1.427 -5.535 1.00 9.27 C ATOM 588 CD PRO A 37 -11.574 0.173 -4.778 1.00 8.33 C ATOM 0 HA PRO A 37 -8.993 0.276 -6.770 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.577 2.392 -7.038 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.145 0.807 -7.523 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.769 2.313 -4.909 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.886 1.432 -5.932 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.805 0.292 -3.719 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.178 -0.657 -5.145 1.00 8.33 H new ATOM 596 N PRO A 38 -7.527 2.278 -5.689 1.00 8.71 N ATOM 597 CA PRO A 38 -6.628 3.242 -5.120 1.00 9.08 C ATOM 598 C PRO A 38 -7.342 4.497 -4.716 1.00 9.28 C ATOM 599 O PRO A 38 -6.895 5.112 -3.742 1.00 6.50 O ATOM 600 CB PRO A 38 -5.574 3.512 -6.245 1.00 10.31 C ATOM 601 CG PRO A 38 -5.437 2.090 -6.821 1.00 10.81 C ATOM 602 CD PRO A 38 -6.890 1.703 -6.922 1.00 12.00 C ATOM 0 HA PRO A 38 -6.164 2.876 -4.204 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.927 4.230 -6.985 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.633 3.896 -5.852 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -4.935 2.080 -7.789 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.875 1.427 -6.163 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.345 2.106 -7.827 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.009 0.620 -6.961 1.00 12.00 H new ATOM 610 N ASP A 39 -8.413 4.899 -5.416 1.00 11.20 N ATOM 611 CA ASP A 39 -9.175 6.102 -5.034 1.00 14.96 C ATOM 612 C ASP A 39 -9.820 6.090 -3.676 1.00 13.99 C ATOM 613 O ASP A 39 -10.204 7.161 -3.222 1.00 13.75 O ATOM 614 CB ASP A 39 -10.204 6.458 -6.123 1.00 24.16 C ATOM 615 CG ASP A 39 -9.577 6.521 -7.457 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.658 7.368 -7.680 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.851 5.661 -8.323 1.00 35.55 O ATOM 0 H ASP A 39 -8.770 4.417 -6.241 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.415 6.879 -4.951 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.001 5.715 -6.129 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.665 7.418 -5.890 1.00 24.16 H new ATOM 622 N GLN A 40 -10.004 4.906 -3.033 1.00 11.60 N ATOM 623 CA GLN A 40 -10.609 4.586 -1.788 1.00 10.76 C ATOM 624 C GLN A 40 -9.569 3.998 -0.804 1.00 8.01 C ATOM 625 O GLN A 40 -9.602 4.211 0.395 1.00 8.96 O ATOM 626 CB GLN A 40 -11.763 3.526 -1.978 1.00 11.14 C ATOM 627 CG GLN A 40 -12.742 3.451 -0.761 1.00 14.85 C ATOM 628 CD GLN A 40 -13.712 2.216 -0.717 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.665 1.238 -1.459 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.618 2.204 0.251 1.00 18.16 N ATOM 0 H GLN A 40 -9.666 4.052 -3.477 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.020 5.511 -1.384 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.329 3.773 -2.876 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.321 2.543 -2.140 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.150 3.452 0.154 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.345 4.359 -0.752 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.692 2.995 0.890 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.241 1.403 0.357 1.00 18.16 H new ATOM 639 N GLN A 41 -8.629 3.258 -1.381 1.00 6.52 N ATOM 640 CA GLN A 41 -7.550 2.597 -0.666 1.00 3.87 C ATOM 641 C GLN A 41 -6.473 3.514 -0.129 1.00 4.79 C ATOM 642 O GLN A 41 -6.022 4.386 -0.820 1.00 6.34 O ATOM 643 CB GLN A 41 -6.965 1.483 -1.584 1.00 4.20 C ATOM 644 CG GLN A 41 -6.193 0.390 -0.797 1.00 3.20 C ATOM 645 CD GLN A 41 -5.327 -0.456 -1.799 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.136 -0.710 -1.557 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.958 -0.918 -2.878 1.00 7.13 N ATOM 0 H GLN A 41 -8.598 3.099 -2.388 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.980 2.167 0.239 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -7.777 1.016 -2.141 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -6.296 1.937 -2.315 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -5.553 0.851 -0.044 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -6.893 -0.256 -0.268 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.938 -0.683 -3.035 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.461 -1.507 -3.546 1.00 7.13 H new ATOM 656 N ARG A 42 -6.154 3.269 1.140 1.00 5.73 N ATOM 657 CA ARG A 42 -5.072 3.938 1.858 1.00 6.97 C ATOM 658 C ARG A 42 -4.196 2.849 2.464 1.00 7.15 C ATOM 659 O ARG A 42 -4.653 1.714 2.456 1.00 7.33 O ATOM 660 CB ARG A 42 -5.648 4.886 2.969 1.00 13.23 C ATOM 661 CG ARG A 42 -6.234 6.179 2.318 1.00 21.27 C ATOM 662 CD ARG A 42 -6.286 7.290 3.424 1.00 26.14 C ATOM 663 NE ARG A 42 -6.673 8.518 2.734 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.064 9.680 3.344 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.306 9.780 4.656 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.282 10.729 2.581 1.00 36.39 N ATOM 0 H ARG A 42 -6.652 2.585 1.710 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.487 4.563 1.183 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.424 4.369 3.533 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.862 5.150 3.677 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.613 6.501 1.482 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.231 5.989 1.920 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.006 7.035 4.202 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.317 7.403 3.911 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.650 8.509 1.714 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.202 8.963 5.258 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.595 10.673 5.055 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.159 10.659 1.571 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.575 11.612 2.999 1.00 36.39 H new ATOM 680 N LEU A 43 -3.026 3.339 2.950 1.00 4.65 N ATOM 681 CA LEU A 43 -1.900 2.470 3.412 1.00 3.51 C ATOM 682 C LEU A 43 -1.245 3.237 4.543 1.00 5.56 C ATOM 683 O LEU A 43 -0.847 4.357 4.301 1.00 4.19 O ATOM 684 CB LEU A 43 -0.898 2.050 2.336 1.00 3.74 C ATOM 685 CG LEU A 43 -1.557 1.172 1.222 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.617 1.126 0.037 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.737 -0.253 1.810 1.00 6.41 C ATOM 0 H LEU A 43 -2.833 4.337 3.034 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.297 1.505 3.728 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.460 2.940 1.883 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.083 1.494 2.799 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.518 1.574 0.902 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.057 0.518 -0.753 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.449 2.137 -0.334 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.334 0.690 0.343 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.196 -0.900 1.062 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.764 -0.656 2.091 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.378 -0.205 2.690 1.00 6.41 H new ATOM 699 N ILE A 44 -1.167 2.607 5.717 1.00 4.58 N ATOM 700 CA ILE A 44 -0.417 3.204 6.806 1.00 5.55 C ATOM 701 C ILE A 44 0.794 2.254 7.173 1.00 5.46 C ATOM 702 O ILE A 44 0.643 1.058 7.190 1.00 6.04 O ATOM 703 CB ILE A 44 -1.263 3.420 8.057 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.539 4.276 7.850 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.409 3.990 9.179 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.592 3.971 8.905 1.00 13.90 C ATOM 0 H ILE A 44 -1.603 1.709 5.928 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.073 4.181 6.468 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.632 2.431 8.329 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.279 5.334 7.889 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.950 4.085 6.859 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.025 4.139 10.066 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.398 3.295 9.411 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.013 4.945 8.866 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.473 4.589 8.729 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.870 2.919 8.848 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.189 4.187 9.894 1.00 13.90 H new ATOM 718 N PHE A 45 2.042 2.814 7.289 1.00 6.75 N ATOM 719 CA PHE A 45 3.228 2.111 7.671 1.00 4.70 C ATOM 720 C PHE A 45 3.971 2.962 8.582 1.00 6.34 C ATOM 721 O PHE A 45 4.169 4.123 8.188 1.00 5.45 O ATOM 722 CB PHE A 45 4.008 1.680 6.409 1.00 5.51 C ATOM 723 CG PHE A 45 5.523 1.477 6.592 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.031 0.235 7.011 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.392 2.598 6.580 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.386 0.089 7.216 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.703 2.515 6.965 1.00 6.64 C ATOM 728 CZ PHE A 45 8.229 1.243 7.246 1.00 6.84 C ATOM 0 H PHE A 45 2.212 3.803 7.104 1.00 6.75 H new ATOM 0 HA PHE A 45 3.010 1.184 8.201 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.578 0.749 6.040 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.853 2.432 5.635 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.364 -0.599 7.171 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.005 3.552 6.255 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.810 -0.895 7.354 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.315 3.401 7.050 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.277 1.136 7.486 1.00 6.84 H new ATOM 738 N ALA A 46 4.390 2.472 9.791 1.00 6.53 N ATOM 739 CA ALA A 46 5.159 3.205 10.745 1.00 7.15 C ATOM 740 C ALA A 46 4.653 4.626 11.064 1.00 9.00 C ATOM 741 O ALA A 46 5.410 5.629 11.094 1.00 11.15 O ATOM 742 CB ALA A 46 6.673 3.029 10.396 1.00 8.99 C ATOM 0 H ALA A 46 4.175 1.524 10.099 1.00 6.53 H new ATOM 0 HA ALA A 46 5.012 2.777 11.736 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.279 3.582 11.114 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.936 1.972 10.438 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.862 3.410 9.392 1.00 8.99 H new ATOM 748 N GLY A 47 3.393 4.759 11.356 1.00 9.35 N ATOM 749 CA GLY A 47 2.807 6.032 11.747 1.00 11.68 C ATOM 750 C GLY A 47 2.522 6.977 10.632 1.00 11.14 C ATOM 751 O GLY A 47 1.967 8.049 10.920 1.00 13.93 O ATOM 0 H GLY A 47 2.727 3.987 11.333 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.877 5.835 12.280 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.480 6.521 12.451 1.00 11.68 H new ATOM 755 N LYS A 48 2.777 6.616 9.357 1.00 10.47 N ATOM 756 CA LYS A 48 2.572 7.475 8.203 1.00 8.82 C ATOM 757 C LYS A 48 1.602 6.799 7.267 1.00 7.68 C ATOM 758 O LYS A 48 1.890 5.759 6.707 1.00 6.47 O ATOM 759 CB LYS A 48 3.874 7.808 7.457 1.00 9.74 C ATOM 760 CG LYS A 48 5.019 8.238 8.459 1.00 14.14 C ATOM 761 CD LYS A 48 6.267 8.487 7.642 1.00 16.32 C ATOM 762 CE LYS A 48 7.567 8.756 8.411 1.00 20.04 C ATOM 763 NZ LYS A 48 8.666 9.077 7.514 1.00 23.92 N ATOM 0 H LYS A 48 3.139 5.695 9.110 1.00 10.47 H new ATOM 0 HA LYS A 48 2.174 8.424 8.563 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.198 6.940 6.882 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.691 8.612 6.744 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.733 9.137 9.006 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.194 7.457 9.199 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.428 7.622 6.999 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.079 9.339 6.989 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.414 9.580 9.108 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.826 7.880 9.005 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.528 9.253 8.069 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.829 8.281 6.865 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.429 9.928 6.965 1.00 23.92 H new ATOM 777 N GLN A 49 0.435 7.422 7.074 1.00 8.89 N ATOM 778 CA GLN A 49 -0.530 7.313 5.962 1.00 7.18 C ATOM 779 C GLN A 49 0.154 7.695 4.626 1.00 8.23 C ATOM 780 O GLN A 49 0.469 8.829 4.376 1.00 9.70 O ATOM 781 CB GLN A 49 -1.668 8.256 6.336 1.00 11.67 C ATOM 782 CG GLN A 49 -2.809 8.170 5.297 1.00 15.82 C ATOM 783 CD GLN A 49 -4.034 8.935 5.764 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.955 8.235 6.203 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.111 10.273 5.673 1.00 20.67 N ATOM 0 H GLN A 49 0.102 8.091 7.768 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.906 6.300 5.815 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.049 8.001 7.325 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.296 9.279 6.392 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.467 8.572 4.343 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.072 7.126 5.127 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.323 10.805 5.304 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.957 10.757 5.973 1.00 20.67 H new ATOM 794 N LEU A 50 0.433 6.755 3.739 1.00 6.51 N ATOM 795 CA LEU A 50 1.229 6.923 2.573 1.00 7.41 C ATOM 796 C LEU A 50 0.513 7.511 1.388 1.00 8.27 C ATOM 797 O LEU A 50 -0.501 7.005 0.950 1.00 8.34 O ATOM 798 CB LEU A 50 1.959 5.565 2.108 1.00 7.13 C ATOM 799 CG LEU A 50 2.620 4.710 3.252 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.039 3.340 2.790 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.791 5.413 4.026 1.00 9.11 C ATOM 0 H LEU A 50 0.080 5.803 3.836 1.00 6.51 H new ATOM 0 HA LEU A 50 1.972 7.651 2.900 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.229 4.942 1.592 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.730 5.821 1.381 1.00 7.13 H new ATOM 0 HG LEU A 50 1.812 4.602 3.975 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.488 2.797 3.622 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.167 2.795 2.430 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.766 3.435 1.984 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.177 4.740 4.792 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.590 5.664 3.328 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.421 6.324 4.496 1.00 9.11 H new ATOM 813 N GLU A 51 0.964 8.673 0.926 1.00 9.43 N ATOM 814 CA GLU A 51 0.358 9.314 -0.240 1.00 11.90 C ATOM 815 C GLU A 51 0.699 8.751 -1.597 1.00 11.49 C ATOM 816 O GLU A 51 1.811 8.316 -1.912 1.00 9.88 O ATOM 817 CB GLU A 51 0.773 10.804 -0.357 1.00 16.56 C ATOM 818 CG GLU A 51 0.185 11.627 0.843 1.00 26.06 C ATOM 819 CD GLU A 51 -1.338 11.552 1.045 1.00 29.86 C ATOM 820 OE1 GLU A 51 -2.084 12.102 0.182 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.798 10.909 2.007 1.00 32.13 O ATOM 0 H GLU A 51 1.742 9.189 1.337 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.698 9.141 -0.033 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.860 10.887 -0.366 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.414 11.216 -1.300 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.668 11.287 1.759 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.460 12.673 0.707 1.00 26.06 H new ATOM 828 N ASP A 52 -0.309 8.678 -2.491 1.00 12.71 N ATOM 829 CA ASP A 52 -0.428 8.007 -3.754 1.00 16.56 C ATOM 830 C ASP A 52 0.783 8.203 -4.666 1.00 15.83 C ATOM 831 O ASP A 52 1.359 7.267 -5.218 1.00 17.21 O ATOM 832 CB ASP A 52 -1.722 8.413 -4.496 1.00 21.05 C ATOM 833 CG ASP A 52 -2.973 8.447 -3.593 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.983 9.287 -2.667 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.911 7.668 -3.766 1.00 28.37 O ATOM 0 H ASP A 52 -1.177 9.173 -2.287 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.475 6.945 -3.511 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.580 9.397 -4.942 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.895 7.714 -5.314 1.00 21.05 H new ATOM 840 N GLY A 53 1.117 9.468 -5.029 1.00 15.00 N ATOM 841 CA GLY A 53 1.995 9.970 -6.111 1.00 11.77 C ATOM 842 C GLY A 53 3.454 10.145 -5.671 1.00 11.10 C ATOM 843 O GLY A 53 4.145 11.062 -6.077 1.00 11.25 O ATOM 0 H GLY A 53 0.729 10.252 -4.505 1.00 15.00 H new ATOM 0 HA2 GLY A 53 1.956 9.278 -6.952 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.612 10.926 -6.467 1.00 11.77 H new ATOM 847 N ARG A 54 3.932 9.224 -4.782 1.00 8.53 N ATOM 848 CA ARG A 54 5.345 9.208 -4.311 1.00 9.05 C ATOM 849 C ARG A 54 5.799 7.704 -4.432 1.00 8.96 C ATOM 850 O ARG A 54 4.956 6.804 -4.448 1.00 11.60 O ATOM 851 CB ARG A 54 5.517 9.695 -2.831 1.00 7.97 C ATOM 852 CG ARG A 54 4.963 11.129 -2.720 1.00 9.62 C ATOM 853 CD ARG A 54 4.981 11.686 -1.287 1.00 12.20 C ATOM 854 NE ARG A 54 6.372 11.618 -0.853 1.00 18.23 N ATOM 855 CZ ARG A 54 6.863 11.841 0.365 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.040 12.281 1.321 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.140 11.666 0.542 1.00 23.38 N ATOM 0 H ARG A 54 3.356 8.484 -4.379 1.00 8.53 H new ATOM 0 HA ARG A 54 5.943 9.895 -4.909 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.986 9.030 -2.149 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.568 9.672 -2.545 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.547 11.786 -3.364 1.00 9.62 H new ATOM 0 HG3 ARG A 54 3.939 11.144 -3.094 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.613 12.712 -1.261 1.00 12.20 H new ATOM 0 HD3 ARG A 54 4.337 11.100 -0.631 1.00 12.20 H new ATOM 0 HE ARG A 54 7.053 11.369 -1.571 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.054 12.440 1.112 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.397 12.458 2.260 1.00 25.50 H new ATOM 0 HH21 ARG A 54 8.727 11.368 -0.237 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.554 11.827 1.460 1.00 23.38 H new ATOM 871 N THR A 55 7.087 7.438 -4.553 1.00 9.05 N ATOM 872 CA THR A 55 7.594 6.034 -4.670 1.00 9.03 C ATOM 873 C THR A 55 7.958 5.358 -3.334 1.00 8.15 C ATOM 874 O THR A 55 8.029 6.055 -2.314 1.00 5.91 O ATOM 875 CB THR A 55 8.781 5.834 -5.556 1.00 11.15 C ATOM 876 OG1 THR A 55 9.852 6.692 -5.274 1.00 11.95 O ATOM 877 CG2 THR A 55 8.354 6.206 -7.037 1.00 11.71 C ATOM 0 H THR A 55 7.816 8.152 -4.575 1.00 9.05 H new ATOM 0 HA THR A 55 6.715 5.570 -5.118 1.00 9.03 H new ATOM 0 HB THR A 55 9.096 4.801 -5.409 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.606 6.171 -4.927 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.204 6.069 -7.706 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.535 5.560 -7.353 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.029 7.246 -7.072 1.00 11.71 H new ATOM 885 N LEU A 56 8.161 4.015 -3.347 1.00 6.91 N ATOM 886 CA LEU A 56 8.562 3.235 -2.196 1.00 8.29 C ATOM 887 C LEU A 56 9.826 3.720 -1.526 1.00 8.05 C ATOM 888 O LEU A 56 9.857 3.842 -0.329 1.00 10.17 O ATOM 889 CB LEU A 56 8.748 1.726 -2.478 1.00 6.60 C ATOM 890 CG LEU A 56 7.355 1.095 -2.873 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.547 -0.348 -3.358 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.394 1.107 -1.654 1.00 8.64 C ATOM 0 H LEU A 56 8.042 3.452 -4.189 1.00 6.91 H new ATOM 0 HA LEU A 56 7.712 3.380 -1.529 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.468 1.581 -3.283 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.150 1.226 -1.597 1.00 6.60 H new ATOM 0 HG LEU A 56 6.922 1.691 -3.676 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.580 -0.773 -3.628 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.202 -0.355 -4.229 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.995 -0.943 -2.562 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.438 0.669 -1.940 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.830 0.526 -0.841 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.239 2.134 -1.323 1.00 8.64 H new ATOM 904 N SER A 57 10.828 4.042 -2.346 1.00 8.92 N ATOM 905 CA SER A 57 12.106 4.595 -1.968 1.00 9.00 C ATOM 906 C SER A 57 11.990 5.979 -1.352 1.00 9.44 C ATOM 907 O SER A 57 12.635 6.309 -0.351 1.00 10.91 O ATOM 908 CB SER A 57 12.971 4.729 -3.232 1.00 10.32 C ATOM 909 OG SER A 57 12.318 5.539 -4.216 1.00 13.59 O ATOM 0 H SER A 57 10.752 3.910 -3.355 1.00 8.92 H new ATOM 0 HA SER A 57 12.542 3.924 -1.228 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.934 5.170 -2.973 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.174 3.741 -3.645 1.00 10.32 H new ATOM 0 HG SER A 57 12.887 5.611 -5.010 1.00 13.59 H new ATOM 915 N ASP A 58 11.084 6.814 -1.894 1.00 9.11 N ATOM 916 CA ASP A 58 10.780 8.188 -1.405 1.00 7.91 C ATOM 917 C ASP A 58 9.985 8.174 -0.069 1.00 9.12 C ATOM 918 O ASP A 58 9.954 9.152 0.669 1.00 8.61 O ATOM 919 CB ASP A 58 9.991 8.953 -2.459 1.00 8.41 C ATOM 920 CG ASP A 58 10.046 10.489 -2.360 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.173 11.090 -2.452 1.00 11.70 O ATOM 922 OD2 ASP A 58 8.978 11.077 -2.095 1.00 10.05 O ATOM 0 H ASP A 58 10.524 6.553 -2.706 1.00 9.11 H new ATOM 0 HA ASP A 58 11.733 8.683 -1.219 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.357 8.659 -3.443 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.948 8.642 -2.400 1.00 8.41 H new ATOM 927 N TYR A 59 9.320 7.016 0.280 1.00 7.97 N ATOM 928 CA TYR A 59 8.695 6.855 1.629 1.00 8.45 C ATOM 929 C TYR A 59 9.559 6.049 2.550 1.00 10.98 C ATOM 930 O TYR A 59 9.316 5.918 3.771 1.00 12.95 O ATOM 931 CB TYR A 59 7.303 6.155 1.474 1.00 7.94 C ATOM 932 CG TYR A 59 6.255 7.248 1.435 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.141 8.017 2.629 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.359 7.524 0.375 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.160 8.978 2.785 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.312 8.408 0.574 1.00 6.52 C ATOM 937 CZ TYR A 59 4.260 9.160 1.777 1.00 6.76 C ATOM 938 OH TYR A 59 3.210 10.061 1.861 1.00 7.63 O ATOM 0 H TYR A 59 9.210 6.211 -0.337 1.00 7.97 H new ATOM 0 HA TYR A 59 8.576 7.847 2.066 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.271 5.559 0.562 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.119 5.475 2.306 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.840 7.844 3.434 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.491 7.047 -0.585 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.107 9.572 3.686 1.00 5.39 H new ATOM 0 HE2 TYR A 59 3.544 8.524 -0.177 1.00 6.52 H new ATOM 0 HH TYR A 59 3.468 10.811 2.436 1.00 7.63 H new ATOM 948 N ASN A 60 10.735 5.455 2.081 1.00 12.38 N ATOM 949 CA ASN A 60 11.588 4.604 2.905 1.00 13.94 C ATOM 950 C ASN A 60 10.920 3.329 3.383 1.00 14.16 C ATOM 951 O ASN A 60 11.002 2.933 4.536 1.00 14.26 O ATOM 952 CB ASN A 60 12.336 5.424 4.049 1.00 19.23 C ATOM 953 CG ASN A 60 13.600 4.732 4.446 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.983 3.668 4.019 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.377 5.453 5.283 1.00 24.09 N ATOM 0 H ASN A 60 11.078 5.576 1.128 1.00 12.38 H new ATOM 0 HA ASN A 60 12.374 4.241 2.243 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.561 6.430 3.696 1.00 19.23 H new ATOM 0 HB3 ASN A 60 11.684 5.528 4.916 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.294 5.100 5.559 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.047 6.350 5.639 1.00 24.09 H new ATOM 962 N ILE A 61 10.170 2.651 2.458 1.00 11.08 N ATOM 963 CA ILE A 61 9.486 1.408 2.747 1.00 11.78 C ATOM 964 C ILE A 61 10.475 0.335 2.400 1.00 13.74 C ATOM 965 O ILE A 61 10.628 0.013 1.229 1.00 14.60 O ATOM 966 CB ILE A 61 8.247 1.250 1.887 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.242 2.473 1.990 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.445 -0.043 2.188 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.902 2.898 3.426 1.00 11.42 C ATOM 0 H ILE A 61 10.041 2.975 1.500 1.00 11.08 H new ATOM 0 HA ILE A 61 9.158 1.367 3.786 1.00 11.78 H new ATOM 0 HB ILE A 61 8.655 1.199 0.877 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.672 3.326 1.464 1.00 11.56 H new ATOM 0 HG13 ILE A 61 6.318 2.213 1.473 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.573 -0.090 1.536 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.077 -0.913 2.011 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.121 -0.036 3.229 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.210 3.740 3.402 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.440 2.063 3.953 1.00 11.42 H new ATOM 0 HD13 ILE A 61 7.815 3.193 3.944 1.00 11.42 H new ATOM 981 N GLN A 62 11.160 -0.270 3.416 1.00 13.97 N ATOM 982 CA GLN A 62 12.165 -1.282 3.165 1.00 15.52 C ATOM 983 C GLN A 62 11.649 -2.641 2.739 1.00 13.94 C ATOM 984 O GLN A 62 10.454 -2.885 2.918 1.00 12.15 O ATOM 985 CB GLN A 62 13.147 -1.463 4.304 1.00 19.53 C ATOM 986 CG GLN A 62 14.032 -0.260 4.641 1.00 26.38 C ATOM 987 CD GLN A 62 15.249 -0.667 5.511 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.129 -1.080 6.672 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.448 -0.643 4.907 1.00 32.71 N ATOM 0 H GLN A 62 11.016 -0.057 4.403 1.00 13.97 H new ATOM 0 HA GLN A 62 12.681 -0.857 2.304 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.586 -1.735 5.198 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.795 -2.307 4.065 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.383 0.203 3.719 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.442 0.489 5.169 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.530 -0.300 3.950 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.277 -0.968 5.405 1.00 32.71 H new ATOM 998 N LYS A 63 12.501 -3.575 2.228 1.00 11.73 N ATOM 999 CA LYS A 63 12.064 -4.959 2.002 1.00 11.97 C ATOM 1000 C LYS A 63 11.460 -5.636 3.163 1.00 10.41 C ATOM 1001 O LYS A 63 11.865 -5.414 4.329 1.00 9.59 O ATOM 1002 CB LYS A 63 13.218 -5.868 1.357 1.00 13.73 C ATOM 1003 CG LYS A 63 14.388 -6.256 2.320 1.00 16.98 C ATOM 1004 CD LYS A 63 15.142 -7.484 1.750 1.00 20.19 C ATOM 1005 CE LYS A 63 16.155 -8.161 2.652 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.482 -8.605 3.845 1.00 25.97 N ATOM 0 H LYS A 63 13.471 -3.388 1.974 1.00 11.73 H new ATOM 0 HA LYS A 63 11.254 -4.847 1.281 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.765 -6.784 0.977 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.636 -5.340 0.500 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.073 -5.416 2.434 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.997 -6.484 3.311 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.401 -8.228 1.457 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.656 -7.172 0.841 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.613 -9.007 2.139 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.958 -7.469 2.906 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.124 -9.202 4.404 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.197 -7.780 4.410 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.638 -9.154 3.584 1.00 25.97 H new ATOM 1020 N GLU A 64 10.374 -6.364 2.859 1.00 10.04 N ATOM 1021 CA GLU A 64 9.711 -7.319 3.705 1.00 10.94 C ATOM 1022 C GLU A 64 8.838 -6.609 4.712 1.00 9.74 C ATOM 1023 O GLU A 64 8.631 -7.050 5.833 1.00 9.42 O ATOM 1024 CB GLU A 64 10.682 -8.393 4.280 1.00 18.31 C ATOM 1025 CG GLU A 64 11.303 -9.384 3.241 1.00 24.16 C ATOM 1026 CD GLU A 64 12.489 -10.148 3.726 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.391 -10.721 4.853 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.501 -10.263 3.012 1.00 31.72 O ATOM 0 H GLU A 64 9.920 -6.281 1.950 1.00 10.04 H new ATOM 0 HA GLU A 64 9.029 -7.918 3.102 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.495 -7.881 4.794 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.146 -8.974 5.031 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.534 -10.093 2.934 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.591 -8.822 2.353 1.00 24.16 H new ATOM 1035 N SER A 65 8.417 -5.348 4.334 1.00 6.85 N ATOM 1036 CA SER A 65 7.681 -4.420 5.200 1.00 6.90 C ATOM 1037 C SER A 65 6.135 -4.794 5.314 1.00 4.72 C ATOM 1038 O SER A 65 5.550 -5.205 4.348 1.00 3.91 O ATOM 1039 CB SER A 65 7.787 -2.908 4.876 1.00 7.28 C ATOM 1040 OG SER A 65 9.055 -2.333 5.238 1.00 10.56 O ATOM 0 H SER A 65 8.594 -4.969 3.404 1.00 6.85 H new ATOM 0 HA SER A 65 8.201 -4.561 6.147 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.621 -2.760 3.809 1.00 7.28 H new ATOM 0 HB3 SER A 65 6.993 -2.376 5.399 1.00 7.28 H new ATOM 0 HG SER A 65 9.684 -2.434 4.494 1.00 10.56 H new ATOM 1046 N THR A 66 5.524 -4.679 6.475 1.00 4.48 N ATOM 1047 CA THR A 66 4.103 -4.831 6.696 1.00 3.80 C ATOM 1048 C THR A 66 3.479 -3.468 6.518 1.00 4.60 C ATOM 1049 O THR A 66 3.926 -2.507 7.137 1.00 5.33 O ATOM 1050 CB THR A 66 3.680 -5.351 8.080 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.172 -6.631 8.367 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.186 -5.553 8.190 1.00 3.40 C ATOM 0 H THR A 66 6.032 -4.466 7.333 1.00 4.48 H new ATOM 0 HA THR A 66 3.771 -5.588 5.985 1.00 3.80 H new ATOM 0 HB THR A 66 4.071 -4.586 8.751 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.871 -6.905 9.259 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.941 -5.921 9.186 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.677 -4.605 8.018 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.861 -6.279 7.445 1.00 3.40 H new ATOM 1060 N LEU A 67 2.534 -3.366 5.559 1.00 4.17 N ATOM 1061 CA LEU A 67 1.815 -2.141 5.433 1.00 3.85 C ATOM 1062 C LEU A 67 0.373 -2.447 5.834 1.00 3.80 C ATOM 1063 O LEU A 67 -0.108 -3.606 5.696 1.00 5.54 O ATOM 1064 CB LEU A 67 1.799 -1.733 3.875 1.00 7.18 C ATOM 1065 CG LEU A 67 3.167 -1.795 3.132 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.000 -1.339 1.699 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.226 -0.936 3.864 1.00 11.66 C ATOM 0 H LEU A 67 2.279 -4.101 4.899 1.00 4.17 H new ATOM 0 HA LEU A 67 2.257 -1.349 6.038 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.098 -2.388 3.357 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.409 -0.718 3.791 1.00 7.18 H new ATOM 0 HG LEU A 67 3.517 -2.827 3.129 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.962 -1.386 1.188 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.287 -1.989 1.191 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.631 -0.314 1.684 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.174 -0.993 3.329 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.892 0.101 3.900 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.359 -1.310 4.879 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.374 -1.483 6.375 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.730 -1.815 6.832 1.00 4.17 C ATOM 1081 C HIS A 68 -2.693 -1.181 5.890 1.00 5.32 C ATOM 1082 O HIS A 68 -2.687 0.021 5.667 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.933 -1.328 8.264 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.797 -1.848 9.110 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.390 -1.184 9.279 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.699 -3.014 9.813 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.185 -1.984 10.064 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.569 -3.112 10.377 1.00 16.30 N ATOM 0 H HIS A 68 -0.086 -0.513 6.505 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.889 -2.893 6.838 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.960 -0.239 8.294 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.888 -1.681 8.653 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.636 -0.271 8.896 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.485 -3.748 9.916 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.184 -1.725 10.384 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.539 -1.980 5.221 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.577 -1.357 4.464 1.00 3.97 C ATOM 1098 C LEU A 69 -5.621 -0.650 5.282 1.00 5.07 C ATOM 1099 O LEU A 69 -6.179 -1.197 6.227 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.240 -2.543 3.597 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.845 -1.950 2.309 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.716 -2.949 1.123 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.333 -1.612 2.514 1.00 9.96 C ATOM 0 H LEU A 69 -3.513 -2.999 5.200 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.147 -0.561 3.856 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.488 -3.292 3.349 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -6.013 -3.047 4.178 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.291 -1.040 2.076 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.150 -2.507 0.226 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.663 -3.169 0.946 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.244 -3.871 1.365 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.741 -1.195 1.594 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.879 -2.518 2.775 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.433 -0.883 3.318 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.970 0.571 4.871 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.028 1.312 5.486 1.00 6.26 C ATOM 1117 C VAL A 70 -7.791 1.978 4.357 1.00 9.22 C ATOM 1118 O VAL A 70 -7.507 1.758 3.165 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.551 2.294 6.490 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.286 1.478 7.844 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.305 3.059 6.054 1.00 8.54 C ATOM 0 H VAL A 70 -5.515 1.058 4.099 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.670 0.641 6.058 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.310 3.064 6.626 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.932 2.160 8.617 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.213 1.007 8.172 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.533 0.711 7.665 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.015 3.758 6.838 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.491 2.357 5.875 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.518 3.609 5.137 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.866 2.680 4.660 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.713 3.301 3.628 1.00 16.06 C ATOM 1133 C LEU A 71 -9.953 4.789 3.927 1.00 18.09 C ATOM 1134 O LEU A 71 -10.097 5.237 5.054 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.130 2.639 3.465 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.140 1.144 3.036 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.549 0.631 3.288 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.609 0.795 1.660 1.00 19.57 C ATOM 0 H LEU A 71 -9.185 2.842 5.615 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.151 3.155 2.705 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.662 2.728 4.412 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.694 3.211 2.728 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.396 0.630 3.645 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.610 -0.419 3.002 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.790 0.734 4.346 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.258 1.210 2.697 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.680 -0.282 1.505 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.197 1.311 0.901 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.567 1.104 1.583 1.00 19.57 H new