USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 127:sc= 1.02 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.875 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.295 K(o=0.61,f=-4.1!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 140:sc= 0.317 (180deg=0) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.945 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.428 (180deg=-1.78) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.2 (180deg=1.09) USER MOD Single : A 2 GLN : amide:sc=-0.00571 K(o=-0.0057,f=-0.52) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 1.12 (180deg=-0.611!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.295 USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= 1.17 (180deg=0.939) USER MOD Single : A 31 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.99) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.27) USER MOD Single : A 41 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.371 X(o=0.37,f=0) USER MOD Single : A 59 TYR OH : rot -60:sc= 0.0765 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= -0.0033 (180deg=-0.0033) USER MOD Single : A 65 SER OG : rot 103:sc= 0.42 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.600 1.512 -3.299 1.00 9.67 N ATOM 2 CA MET A 1 -13.321 2.182 -2.009 1.00 10.38 C ATOM 3 C MET A 1 -12.128 3.071 -1.930 1.00 9.62 C ATOM 4 O MET A 1 -11.093 2.896 -2.570 1.00 9.62 O ATOM 5 CB MET A 1 -13.329 1.162 -0.857 1.00 13.77 C ATOM 6 CG MET A 1 -12.513 -0.122 -1.018 1.00 16.29 C ATOM 7 SD MET A 1 -12.224 -1.080 0.500 1.00 17.17 S ATOM 8 CE MET A 1 -10.550 -1.724 0.214 1.00 16.11 C ATOM 0 H1 MET A 1 -14.336 0.790 -3.163 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.928 2.215 -3.992 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.732 1.059 -3.650 1.00 9.67 H new ATOM 0 HA MET A 1 -14.146 2.888 -1.914 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.975 1.671 0.040 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.365 0.877 -0.673 1.00 13.77 H new ATOM 0 HG2 MET A 1 -13.021 -0.764 -1.737 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.546 0.137 -1.450 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.358 -2.554 0.894 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.465 -2.072 -0.815 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.821 -0.933 0.391 1.00 16.11 H new ATOM 20 N GLN A 2 -12.273 4.148 -1.137 1.00 9.27 N ATOM 21 CA GLN A 2 -11.174 5.040 -0.932 1.00 9.07 C ATOM 22 C GLN A 2 -10.290 4.468 0.122 1.00 8.72 C ATOM 23 O GLN A 2 -10.859 3.966 1.091 1.00 8.22 O ATOM 24 CB GLN A 2 -11.625 6.470 -0.594 1.00 14.46 C ATOM 25 CG GLN A 2 -12.129 7.257 -1.805 1.00 17.01 C ATOM 26 CD GLN A 2 -11.966 8.738 -1.492 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.984 9.188 -0.348 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.771 9.494 -2.605 1.00 19.49 N ATOM 0 H GLN A 2 -13.132 4.398 -0.647 1.00 9.27 H new ATOM 0 HA GLN A 2 -10.617 5.132 -1.864 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -12.416 6.425 0.154 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -10.791 7.008 -0.143 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -11.563 6.990 -2.698 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -13.174 7.021 -2.007 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.768 9.055 -3.526 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.628 10.500 -2.519 1.00 19.49 H new ATOM 37 N ILE A 3 -8.955 4.365 -0.006 1.00 5.87 N ATOM 38 CA ILE A 3 -8.208 4.220 1.205 1.00 5.07 C ATOM 39 C ILE A 3 -7.317 5.407 1.333 1.00 4.01 C ATOM 40 O ILE A 3 -7.246 6.263 0.452 1.00 4.61 O ATOM 41 CB ILE A 3 -7.403 2.958 1.303 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.503 2.720 0.079 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.342 1.811 1.713 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.699 1.436 0.280 1.00 10.83 C ATOM 0 H ILE A 3 -8.424 4.380 -0.877 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.927 4.153 2.021 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.656 3.037 2.093 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.110 2.644 -0.823 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -5.829 3.566 -0.060 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.773 0.884 1.789 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.795 2.039 2.678 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.124 1.696 0.963 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -5.061 1.267 -0.587 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -5.081 1.530 1.173 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -6.381 0.594 0.398 1.00 10.83 H new ATOM 56 N PHE A 4 -6.555 5.569 2.430 1.00 4.55 N ATOM 57 CA PHE A 4 -5.702 6.712 2.528 1.00 4.68 C ATOM 58 C PHE A 4 -4.350 6.347 3.036 1.00 5.30 C ATOM 59 O PHE A 4 -4.266 5.936 4.192 1.00 5.58 O ATOM 60 CB PHE A 4 -6.211 7.821 3.465 1.00 4.83 C ATOM 61 CG PHE A 4 -7.683 8.052 3.479 1.00 7.97 C ATOM 62 CD1 PHE A 4 -8.335 8.456 2.338 1.00 8.34 C ATOM 63 CD2 PHE A 4 -8.441 8.027 4.625 1.00 6.69 C ATOM 64 CE1 PHE A 4 -9.681 8.736 2.368 1.00 10.61 C ATOM 65 CE2 PHE A 4 -9.768 8.376 4.710 1.00 9.10 C ATOM 66 CZ PHE A 4 -10.394 8.748 3.543 1.00 8.90 C ATOM 0 H PHE A 4 -6.528 4.931 3.225 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.679 7.088 1.505 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.893 7.584 4.480 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -5.721 8.754 3.187 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -7.787 8.554 1.413 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -7.954 7.707 5.534 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -10.192 8.953 1.442 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -10.296 8.359 5.652 1.00 9.10 H new ATOM 0 HZ PHE A 4 -11.432 9.046 3.550 1.00 8.90 H new ATOM 76 N VAL A 5 -3.285 6.392 2.216 1.00 4.44 N ATOM 77 CA VAL A 5 -1.989 5.997 2.673 1.00 3.87 C ATOM 78 C VAL A 5 -1.167 7.179 3.054 1.00 4.93 C ATOM 79 O VAL A 5 -0.907 8.042 2.216 1.00 6.84 O ATOM 80 CB VAL A 5 -1.144 5.270 1.669 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.295 4.988 2.132 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.978 4.181 0.972 1.00 9.13 C ATOM 0 H VAL A 5 -3.320 6.699 1.244 1.00 4.44 H new ATOM 0 HA VAL A 5 -2.226 5.333 3.504 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.872 5.922 0.839 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.834 4.460 1.345 1.00 5.28 H new ATOM 0 HG12 VAL A 5 0.799 5.930 2.347 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.274 4.374 3.032 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.358 3.658 0.244 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.343 3.472 1.714 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.825 4.641 0.463 1.00 9.13 H new ATOM 92 N LYS A 6 -0.564 7.197 4.256 1.00 6.04 N ATOM 93 CA LYS A 6 0.353 8.202 4.697 1.00 6.12 C ATOM 94 C LYS A 6 1.772 7.876 4.378 1.00 6.57 C ATOM 95 O LYS A 6 2.231 6.790 4.728 1.00 5.76 O ATOM 96 CB LYS A 6 0.216 8.464 6.206 1.00 7.45 C ATOM 97 CG LYS A 6 -1.186 8.968 6.556 1.00 11.12 C ATOM 98 CD LYS A 6 -1.320 9.391 8.020 1.00 14.54 C ATOM 99 CE LYS A 6 -2.571 10.236 8.270 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.636 10.660 9.687 1.00 20.55 N ATOM 0 H LYS A 6 -0.725 6.473 4.956 1.00 6.04 H new ATOM 0 HA LYS A 6 0.087 9.104 4.146 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.424 7.547 6.757 1.00 7.45 H new ATOM 0 HB3 LYS A 6 0.958 9.199 6.519 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.433 9.814 5.915 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.912 8.184 6.342 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.353 8.503 8.651 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.437 9.958 8.314 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.560 11.113 7.622 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.462 9.662 8.015 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.491 11.232 9.839 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.668 9.820 10.300 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.795 11.226 9.919 1.00 20.55 H new ATOM 114 N THR A 7 2.572 8.819 3.851 1.00 7.41 N ATOM 115 CA THR A 7 3.939 8.721 3.441 1.00 7.48 C ATOM 116 C THR A 7 4.901 8.998 4.544 1.00 8.75 C ATOM 117 O THR A 7 4.596 9.322 5.691 1.00 8.58 O ATOM 118 CB THR A 7 4.363 9.578 2.285 1.00 9.61 C ATOM 119 OG1 THR A 7 4.125 10.967 2.455 1.00 11.78 O ATOM 120 CG2 THR A 7 3.507 9.125 1.091 1.00 9.17 C ATOM 0 H THR A 7 2.215 9.762 3.695 1.00 7.41 H new ATOM 0 HA THR A 7 3.973 7.681 3.118 1.00 7.48 H new ATOM 0 HB THR A 7 5.439 9.458 2.163 1.00 9.61 H new ATOM 0 HG1 THR A 7 4.431 11.451 1.660 1.00 11.78 H new ATOM 0 HG21 THR A 7 3.768 9.714 0.212 1.00 9.17 H new ATOM 0 HG22 THR A 7 3.693 8.070 0.890 1.00 9.17 H new ATOM 0 HG23 THR A 7 2.452 9.270 1.324 1.00 9.17 H new ATOM 128 N LEU A 8 6.208 8.777 4.317 1.00 9.84 N ATOM 129 CA LEU A 8 7.193 9.078 5.309 1.00 14.15 C ATOM 130 C LEU A 8 7.422 10.519 5.612 1.00 17.37 C ATOM 131 O LEU A 8 7.648 10.943 6.744 1.00 17.01 O ATOM 132 CB LEU A 8 8.508 8.558 4.703 1.00 16.63 C ATOM 133 CG LEU A 8 9.817 8.622 5.508 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.582 8.041 6.912 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.928 7.751 4.897 1.00 19.31 C ATOM 0 H LEU A 8 6.582 8.391 3.450 1.00 9.84 H new ATOM 0 HA LEU A 8 6.855 8.635 6.246 1.00 14.15 H new ATOM 0 HB2 LEU A 8 8.347 7.514 4.433 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.674 9.106 3.775 1.00 16.63 H new ATOM 0 HG LEU A 8 10.116 9.670 5.516 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.509 8.086 7.484 1.00 18.59 H new ATOM 0 HD12 LEU A 8 8.813 8.621 7.422 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.258 7.004 6.827 1.00 18.59 H new ATOM 0 HD21 LEU A 8 11.830 7.833 5.504 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.602 6.711 4.870 1.00 19.31 H new ATOM 0 HD23 LEU A 8 11.141 8.091 3.884 1.00 19.31 H new ATOM 147 N THR A 9 7.380 11.459 4.651 1.00 18.33 N ATOM 148 CA THR A 9 7.435 12.876 4.838 1.00 19.24 C ATOM 149 C THR A 9 6.165 13.350 5.455 1.00 19.48 C ATOM 150 O THR A 9 6.215 13.866 6.571 1.00 23.14 O ATOM 151 CB THR A 9 7.675 13.654 3.578 1.00 18.97 C ATOM 152 OG1 THR A 9 6.859 13.297 2.472 1.00 20.24 O ATOM 153 CG2 THR A 9 9.129 13.454 3.118 1.00 19.70 C ATOM 0 H THR A 9 7.301 11.207 3.666 1.00 18.33 H new ATOM 0 HA THR A 9 8.291 13.056 5.489 1.00 19.24 H new ATOM 0 HB THR A 9 7.434 14.682 3.850 1.00 18.97 H new ATOM 0 HG1 THR A 9 7.088 13.858 1.702 1.00 20.24 H new ATOM 0 HG21 THR A 9 9.302 14.020 2.203 1.00 19.70 H new ATOM 0 HG22 THR A 9 9.808 13.805 3.895 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.309 12.396 2.930 1.00 19.70 H new ATOM 161 N GLY A 10 4.993 13.127 4.835 1.00 19.43 N ATOM 162 CA GLY A 10 3.785 13.647 5.397 1.00 18.74 C ATOM 163 C GLY A 10 2.812 14.070 4.350 1.00 17.62 C ATOM 164 O GLY A 10 2.190 15.131 4.378 1.00 19.74 O ATOM 0 H GLY A 10 4.881 12.601 3.968 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.326 12.889 6.032 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.021 14.498 6.036 1.00 18.74 H new ATOM 168 N LYS A 11 2.626 13.187 3.353 1.00 13.56 N ATOM 169 CA LYS A 11 1.482 13.268 2.498 1.00 11.91 C ATOM 170 C LYS A 11 0.498 12.309 3.073 1.00 10.18 C ATOM 171 O LYS A 11 0.820 11.306 3.708 1.00 9.10 O ATOM 172 CB LYS A 11 1.711 12.933 1.015 1.00 13.43 C ATOM 173 CG LYS A 11 2.778 13.841 0.402 1.00 16.69 C ATOM 174 CD LYS A 11 2.880 13.733 -1.121 1.00 17.92 C ATOM 175 CE LYS A 11 1.631 14.149 -1.901 1.00 20.81 C ATOM 176 NZ LYS A 11 1.891 14.010 -3.351 1.00 21.93 N ATOM 0 H LYS A 11 3.264 12.420 3.139 1.00 13.56 H new ATOM 0 HA LYS A 11 1.156 14.308 2.476 1.00 11.91 H new ATOM 0 HB2 LYS A 11 2.016 11.891 0.918 1.00 13.43 H new ATOM 0 HB3 LYS A 11 0.776 13.044 0.466 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.560 14.875 0.670 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.746 13.596 0.840 1.00 16.69 H new ATOM 0 HD2 LYS A 11 3.716 14.347 -1.455 1.00 17.92 H new ATOM 0 HD3 LYS A 11 3.120 12.701 -1.378 1.00 17.92 H new ATOM 0 HE2 LYS A 11 0.783 13.528 -1.611 1.00 20.81 H new ATOM 0 HE3 LYS A 11 1.367 15.180 -1.664 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 0.995 13.838 -3.850 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 2.326 14.884 -3.711 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 2.536 13.210 -3.513 1.00 21.93 H new ATOM 190 N THR A 12 -0.785 12.495 2.713 1.00 9.63 N ATOM 191 CA THR A 12 -1.758 11.448 2.758 1.00 9.85 C ATOM 192 C THR A 12 -2.281 11.178 1.389 1.00 11.66 C ATOM 193 O THR A 12 -2.881 12.074 0.799 1.00 12.33 O ATOM 194 CB THR A 12 -2.888 11.756 3.695 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.388 11.897 5.017 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.901 10.601 3.763 1.00 9.63 C ATOM 0 H THR A 12 -1.153 13.388 2.385 1.00 9.63 H new ATOM 0 HA THR A 12 -1.259 10.558 3.141 1.00 9.85 H new ATOM 0 HB THR A 12 -3.362 12.665 3.324 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.128 12.100 5.627 1.00 10.91 H new ATOM 0 HG21 THR A 12 -4.704 10.862 4.452 1.00 9.63 H new ATOM 0 HG22 THR A 12 -4.317 10.423 2.771 1.00 9.63 H new ATOM 0 HG23 THR A 12 -3.401 9.698 4.114 1.00 9.63 H new ATOM 204 N ILE A 13 -2.154 9.936 0.888 1.00 10.42 N ATOM 205 CA ILE A 13 -2.412 9.699 -0.498 1.00 11.84 C ATOM 206 C ILE A 13 -3.727 9.001 -0.558 1.00 10.55 C ATOM 207 O ILE A 13 -3.920 7.918 -0.008 1.00 11.92 O ATOM 208 CB ILE A 13 -1.436 8.701 -1.046 1.00 14.86 C ATOM 209 CG1 ILE A 13 0.013 9.094 -0.716 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.712 8.563 -2.553 1.00 17.08 C ATOM 211 CD1 ILE A 13 1.014 8.145 -1.374 1.00 16.46 C ATOM 0 H ILE A 13 -1.880 9.115 1.427 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.362 10.640 -1.046 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.568 7.726 -0.577 1.00 14.86 H new ATOM 0 HG12 ILE A 13 0.201 10.113 -1.053 1.00 14.87 H new ATOM 0 HG13 ILE A 13 0.157 9.084 0.364 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.018 7.842 -2.986 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.735 8.218 -2.706 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.579 9.530 -3.037 1.00 17.08 H new ATOM 0 HD11 ILE A 13 2.028 8.452 -1.120 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.842 7.130 -1.016 1.00 16.46 H new ATOM 0 HD13 ILE A 13 0.887 8.175 -2.456 1.00 16.46 H new ATOM 223 N THR A 14 -4.673 9.651 -1.260 1.00 9.39 N ATOM 224 CA THR A 14 -6.010 9.171 -1.431 1.00 9.63 C ATOM 225 C THR A 14 -6.045 8.216 -2.574 1.00 11.20 C ATOM 226 O THR A 14 -6.079 8.631 -3.732 1.00 11.63 O ATOM 227 CB THR A 14 -7.081 10.201 -1.639 1.00 10.38 C ATOM 228 OG1 THR A 14 -7.127 11.039 -0.494 1.00 16.30 O ATOM 229 CG2 THR A 14 -8.490 9.588 -1.567 1.00 11.66 C ATOM 0 H THR A 14 -4.501 10.542 -1.725 1.00 9.39 H new ATOM 0 HA THR A 14 -6.250 8.707 -0.474 1.00 9.63 H new ATOM 0 HB THR A 14 -6.855 10.677 -2.593 1.00 10.38 H new ATOM 0 HG1 THR A 14 -7.822 11.720 -0.615 1.00 16.30 H new ATOM 0 HG21 THR A 14 -9.235 10.368 -1.723 1.00 11.66 H new ATOM 0 HG22 THR A 14 -8.595 8.826 -2.340 1.00 11.66 H new ATOM 0 HG23 THR A 14 -8.640 9.134 -0.587 1.00 11.66 H new ATOM 237 N LEU A 15 -5.932 6.896 -2.342 1.00 8.29 N ATOM 238 CA LEU A 15 -5.871 5.916 -3.381 1.00 9.03 C ATOM 239 C LEU A 15 -7.243 5.380 -3.606 1.00 8.59 C ATOM 240 O LEU A 15 -7.866 5.092 -2.585 1.00 7.79 O ATOM 241 CB LEU A 15 -4.969 4.708 -3.077 1.00 11.08 C ATOM 242 CG LEU A 15 -3.510 5.185 -2.990 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.663 3.987 -2.529 1.00 15.27 C ATOM 244 CD2 LEU A 15 -3.107 5.716 -4.376 1.00 15.88 C ATOM 0 H LEU A 15 -5.882 6.499 -1.404 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.450 6.430 -4.245 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -5.269 4.240 -2.139 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -5.073 3.954 -3.857 1.00 11.08 H new ATOM 0 HG LEU A 15 -3.362 5.994 -2.275 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -1.618 4.287 -2.455 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -3.013 3.648 -1.554 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.757 3.176 -3.251 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -2.074 6.063 -4.347 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -3.201 4.918 -5.113 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.760 6.544 -4.652 1.00 15.88 H new ATOM 256 N GLU A 16 -7.772 5.253 -4.836 1.00 11.04 N ATOM 257 CA GLU A 16 -9.023 4.634 -5.148 1.00 11.50 C ATOM 258 C GLU A 16 -8.933 3.171 -5.417 1.00 10.13 C ATOM 259 O GLU A 16 -8.506 2.855 -6.526 1.00 9.83 O ATOM 260 CB GLU A 16 -9.837 5.434 -6.179 1.00 17.22 C ATOM 261 CG GLU A 16 -11.306 5.006 -6.212 1.00 23.33 C ATOM 262 CD GLU A 16 -12.155 6.012 -6.977 1.00 26.99 C ATOM 263 OE1 GLU A 16 -12.090 5.970 -8.234 1.00 28.90 O ATOM 264 OE2 GLU A 16 -12.750 6.964 -6.405 1.00 28.86 O ATOM 0 H GLU A 16 -7.295 5.606 -5.666 1.00 11.04 H new ATOM 0 HA GLU A 16 -9.611 4.676 -4.231 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -9.775 6.496 -5.943 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.399 5.301 -7.168 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -11.391 4.025 -6.679 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -11.682 4.908 -5.194 1.00 23.33 H new ATOM 271 N VAL A 17 -9.306 2.263 -4.497 1.00 8.99 N ATOM 272 CA VAL A 17 -9.031 0.860 -4.528 1.00 8.85 C ATOM 273 C VAL A 17 -10.284 0.063 -4.648 1.00 8.04 C ATOM 274 O VAL A 17 -11.378 0.455 -4.247 1.00 8.99 O ATOM 275 CB VAL A 17 -8.190 0.310 -3.414 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.979 1.248 -3.277 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.868 0.220 -2.037 1.00 10.54 C ATOM 0 H VAL A 17 -9.840 2.531 -3.670 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.414 0.756 -5.420 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.950 -0.718 -3.685 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -6.331 0.891 -2.476 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.422 1.263 -4.214 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -7.324 2.255 -3.044 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -8.166 -0.191 -1.312 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -9.178 1.215 -1.718 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.742 -0.428 -2.103 1.00 10.54 H new ATOM 287 N GLU A 18 -10.154 -1.160 -5.192 1.00 7.29 N ATOM 288 CA GLU A 18 -11.233 -2.098 -5.181 1.00 7.08 C ATOM 289 C GLU A 18 -10.924 -3.131 -4.152 1.00 6.45 C ATOM 290 O GLU A 18 -9.731 -3.384 -3.991 1.00 5.28 O ATOM 291 CB GLU A 18 -11.291 -2.818 -6.539 1.00 10.28 C ATOM 292 CG GLU A 18 -11.453 -1.817 -7.685 1.00 12.65 C ATOM 293 CD GLU A 18 -12.249 -2.528 -8.770 1.00 14.15 C ATOM 294 OE1 GLU A 18 -11.839 -3.618 -9.252 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.359 -2.011 -9.068 1.00 18.17 O ATOM 0 H GLU A 18 -9.302 -1.499 -5.639 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.173 -1.584 -4.978 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.381 -3.399 -6.685 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.123 -3.522 -6.546 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -11.973 -0.921 -7.347 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.481 -1.499 -8.062 1.00 12.65 H new ATOM 302 N PRO A 19 -11.740 -3.866 -3.457 1.00 7.24 N ATOM 303 CA PRO A 19 -11.325 -4.580 -2.285 1.00 7.07 C ATOM 304 C PRO A 19 -10.759 -5.905 -2.665 1.00 6.65 C ATOM 305 O PRO A 19 -10.144 -6.583 -1.844 1.00 6.37 O ATOM 306 CB PRO A 19 -12.616 -4.790 -1.497 1.00 7.61 C ATOM 307 CG PRO A 19 -13.699 -4.859 -2.586 1.00 8.16 C ATOM 308 CD PRO A 19 -13.179 -3.902 -3.670 1.00 7.49 C ATOM 0 HA PRO A 19 -10.561 -4.045 -1.722 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.581 -5.706 -0.908 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.799 -3.971 -0.802 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.819 -5.872 -2.969 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.671 -4.545 -2.206 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.424 -4.262 -4.669 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.621 -2.911 -3.571 1.00 7.49 H new ATOM 316 N SER A 20 -10.924 -6.281 -3.946 1.00 6.80 N ATOM 317 CA SER A 20 -10.302 -7.487 -4.396 1.00 6.28 C ATOM 318 C SER A 20 -8.894 -7.280 -4.837 1.00 8.45 C ATOM 319 O SER A 20 -8.228 -8.272 -5.129 1.00 7.26 O ATOM 320 CB SER A 20 -11.140 -7.939 -5.604 1.00 8.57 C ATOM 321 OG SER A 20 -11.349 -6.963 -6.613 1.00 11.13 O ATOM 0 H SER A 20 -11.465 -5.774 -4.646 1.00 6.80 H new ATOM 0 HA SER A 20 -10.265 -8.215 -3.586 1.00 6.28 H new ATOM 0 HB2 SER A 20 -10.653 -8.803 -6.056 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.112 -8.274 -5.242 1.00 8.57 H new ATOM 0 HG SER A 20 -11.889 -7.348 -7.334 1.00 11.13 H new ATOM 327 N ASP A 21 -8.257 -6.095 -4.858 1.00 7.50 N ATOM 328 CA ASP A 21 -6.915 -5.870 -5.298 1.00 7.70 C ATOM 329 C ASP A 21 -5.864 -6.437 -4.407 1.00 7.08 C ATOM 330 O ASP A 21 -6.078 -6.396 -3.196 1.00 8.11 O ATOM 331 CB ASP A 21 -6.668 -4.370 -5.531 1.00 11.00 C ATOM 332 CG ASP A 21 -7.226 -3.987 -6.894 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.012 -4.698 -7.913 1.00 18.03 O ATOM 334 OD2 ASP A 21 -7.863 -2.908 -7.022 1.00 14.36 O ATOM 0 H ASP A 21 -8.712 -5.237 -4.546 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.825 -6.415 -6.238 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.148 -3.782 -4.748 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.601 -4.152 -5.485 1.00 11.00 H new ATOM 339 N THR A 22 -4.696 -6.810 -4.958 1.00 5.37 N ATOM 340 CA THR A 22 -3.610 -7.312 -4.176 1.00 6.01 C ATOM 341 C THR A 22 -2.982 -6.124 -3.533 1.00 8.01 C ATOM 342 O THR A 22 -2.987 -5.020 -4.077 1.00 8.11 O ATOM 343 CB THR A 22 -2.599 -8.036 -5.015 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.385 -7.241 -6.172 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.419 -9.243 -5.501 1.00 9.65 C ATOM 0 H THR A 22 -4.503 -6.763 -5.958 1.00 5.37 H new ATOM 0 HA THR A 22 -3.974 -8.034 -3.445 1.00 6.01 H new ATOM 0 HB THR A 22 -1.662 -8.265 -4.508 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.726 -7.677 -6.752 1.00 10.22 H new ATOM 0 HG21 THR A 22 -2.797 -9.873 -6.137 1.00 9.65 H new ATOM 0 HG22 THR A 22 -3.761 -9.820 -4.642 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.281 -8.892 -6.069 1.00 9.65 H new ATOM 353 N ILE A 23 -2.180 -6.276 -2.464 1.00 8.32 N ATOM 354 CA ILE A 23 -1.292 -5.290 -1.929 1.00 9.92 C ATOM 355 C ILE A 23 -0.311 -4.843 -2.957 1.00 10.01 C ATOM 356 O ILE A 23 0.069 -3.682 -3.095 1.00 8.71 O ATOM 357 CB ILE A 23 -0.605 -5.821 -0.706 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.646 -5.951 0.418 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.656 -5.028 -0.324 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.217 -4.642 0.962 1.00 12.30 C ATOM 0 H ILE A 23 -2.151 -7.149 -1.937 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.875 -4.417 -1.637 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.206 -6.814 -0.914 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -2.473 -6.559 0.051 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -1.191 -6.497 1.245 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.104 -5.465 0.569 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.372 -5.066 -1.145 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.387 -3.991 -0.125 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.939 -4.859 1.749 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.409 -4.034 1.369 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.710 -4.098 0.157 1.00 12.30 H new ATOM 372 N GLU A 24 0.209 -5.804 -3.742 1.00 9.54 N ATOM 373 CA GLU A 24 0.910 -5.640 -4.977 1.00 11.81 C ATOM 374 C GLU A 24 0.326 -4.635 -5.910 1.00 11.14 C ATOM 375 O GLU A 24 1.044 -3.802 -6.460 1.00 10.62 O ATOM 376 CB GLU A 24 1.280 -6.951 -5.691 1.00 19.24 C ATOM 377 CG GLU A 24 2.423 -6.907 -6.708 1.00 27.76 C ATOM 378 CD GLU A 24 2.609 -8.257 -7.386 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.692 -8.610 -8.175 1.00 34.80 O ATOM 380 OE2 GLU A 24 3.756 -8.763 -7.264 1.00 36.51 O ATOM 0 H GLU A 24 0.130 -6.788 -3.485 1.00 9.54 H new ATOM 0 HA GLU A 24 1.854 -5.209 -4.644 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.536 -7.687 -4.929 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.390 -7.318 -6.202 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.215 -6.145 -7.460 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.347 -6.618 -6.208 1.00 27.76 H new ATOM 387 N ASN A 25 -0.997 -4.570 -6.141 1.00 9.43 N ATOM 388 CA ASN A 25 -1.700 -3.551 -6.858 1.00 10.96 C ATOM 389 C ASN A 25 -1.674 -2.213 -6.202 1.00 9.68 C ATOM 390 O ASN A 25 -1.377 -1.175 -6.790 1.00 9.33 O ATOM 391 CB ASN A 25 -3.112 -4.072 -7.177 1.00 16.78 C ATOM 392 CG ASN A 25 -3.890 -3.151 -8.106 1.00 22.31 C ATOM 393 OD1 ASN A 25 -4.376 -2.103 -7.684 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.915 -3.564 -9.402 1.00 24.70 N ATOM 0 H ASN A 25 -1.628 -5.293 -5.796 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.178 -3.356 -7.795 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.035 -5.059 -7.634 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.667 -4.194 -6.247 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.364 -2.986 -10.113 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -3.485 -4.451 -9.663 1.00 24.70 H new ATOM 401 N VAL A 26 -1.981 -2.187 -4.893 1.00 6.52 N ATOM 402 CA VAL A 26 -1.948 -0.970 -4.143 1.00 5.53 C ATOM 403 C VAL A 26 -0.677 -0.215 -4.325 1.00 4.42 C ATOM 404 O VAL A 26 -0.696 1.002 -4.506 1.00 3.40 O ATOM 405 CB VAL A 26 -2.304 -1.071 -2.689 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.364 0.324 -2.045 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.766 -1.547 -2.664 1.00 8.12 C ATOM 0 H VAL A 26 -2.252 -3.009 -4.354 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.766 -0.403 -4.588 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.583 -1.708 -2.177 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.624 0.227 -0.991 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.392 0.809 -2.136 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -3.119 0.926 -2.551 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -4.099 -1.645 -1.631 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.394 -0.821 -3.180 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.843 -2.513 -3.163 1.00 8.12 H new ATOM 417 N LYS A 27 0.473 -0.907 -4.401 1.00 2.64 N ATOM 418 CA LYS A 27 1.706 -0.206 -4.586 1.00 4.14 C ATOM 419 C LYS A 27 1.979 0.304 -5.959 1.00 5.58 C ATOM 420 O LYS A 27 2.824 1.169 -6.183 1.00 4.11 O ATOM 421 CB LYS A 27 2.943 -1.032 -4.193 1.00 3.97 C ATOM 422 CG LYS A 27 3.037 -1.660 -2.801 1.00 7.45 C ATOM 423 CD LYS A 27 4.287 -2.516 -2.586 1.00 9.02 C ATOM 424 CE LYS A 27 4.351 -3.831 -3.366 1.00 12.90 C ATOM 425 NZ LYS A 27 5.552 -4.584 -2.940 1.00 15.47 N ATOM 0 H LYS A 27 0.551 -1.922 -4.337 1.00 2.64 H new ATOM 0 HA LYS A 27 1.551 0.643 -3.920 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.037 -1.839 -4.919 1.00 3.97 H new ATOM 0 HB3 LYS A 27 3.814 -0.389 -4.317 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.020 -0.866 -2.054 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.154 -2.276 -2.632 1.00 7.45 H new ATOM 0 HD2 LYS A 27 5.160 -1.919 -2.850 1.00 9.02 H new ATOM 0 HD3 LYS A 27 4.366 -2.744 -1.523 1.00 9.02 H new ATOM 0 HE2 LYS A 27 3.452 -4.421 -3.185 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.391 -3.632 -4.437 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 5.345 -5.603 -2.950 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 6.337 -4.384 -3.592 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.820 -4.295 -1.978 1.00 15.47 H new ATOM 439 N ALA A 28 1.322 -0.286 -6.973 1.00 6.61 N ATOM 440 CA ALA A 28 1.366 0.018 -8.370 1.00 7.74 C ATOM 441 C ALA A 28 0.698 1.301 -8.725 1.00 9.17 C ATOM 442 O ALA A 28 0.970 1.910 -9.758 1.00 11.45 O ATOM 443 CB ALA A 28 0.952 -1.240 -9.153 1.00 7.68 C ATOM 0 H ALA A 28 0.689 -1.064 -6.789 1.00 6.61 H new ATOM 0 HA ALA A 28 2.385 0.248 -8.682 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.979 -1.029 -10.222 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.642 -2.053 -8.926 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.059 -1.531 -8.866 1.00 7.68 H new ATOM 449 N LYS A 29 -0.232 1.682 -7.831 1.00 8.96 N ATOM 450 CA LYS A 29 -0.900 2.946 -7.838 1.00 7.90 C ATOM 451 C LYS A 29 -0.114 4.044 -7.208 1.00 6.92 C ATOM 452 O LYS A 29 -0.017 5.202 -7.611 1.00 6.87 O ATOM 453 CB LYS A 29 -2.253 2.842 -7.113 1.00 10.28 C ATOM 454 CG LYS A 29 -3.090 1.836 -7.905 1.00 14.94 C ATOM 455 CD LYS A 29 -4.532 1.876 -7.394 1.00 19.69 C ATOM 456 CE LYS A 29 -5.709 1.681 -8.351 1.00 22.63 C ATOM 457 NZ LYS A 29 -5.808 0.337 -8.963 1.00 24.98 N ATOM 0 H LYS A 29 -0.533 1.078 -7.066 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.035 3.197 -8.890 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -2.118 2.510 -6.084 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.748 3.812 -7.072 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -3.060 2.076 -8.968 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.679 0.833 -7.793 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.619 1.113 -6.621 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.672 2.841 -6.907 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -6.633 1.886 -7.811 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.635 2.421 -9.148 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.805 0.045 -8.999 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -5.421 0.365 -9.928 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.268 -0.345 -8.393 1.00 24.98 H new ATOM 471 N ILE A 30 0.654 3.630 -6.184 1.00 4.57 N ATOM 472 CA ILE A 30 1.690 4.488 -5.698 1.00 5.58 C ATOM 473 C ILE A 30 2.803 4.649 -6.675 1.00 7.26 C ATOM 474 O ILE A 30 3.248 5.774 -6.894 1.00 9.46 O ATOM 475 CB ILE A 30 2.127 4.085 -4.320 1.00 5.36 C ATOM 476 CG1 ILE A 30 0.929 3.821 -3.393 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.000 5.188 -3.697 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.245 3.450 -1.945 1.00 2.00 C ATOM 0 H ILE A 30 0.564 2.733 -5.706 1.00 4.57 H new ATOM 0 HA ILE A 30 1.276 5.491 -5.596 1.00 5.58 H new ATOM 0 HB ILE A 30 2.697 3.162 -4.422 1.00 5.36 H new ATOM 0 HG12 ILE A 30 0.302 4.713 -3.386 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.334 3.017 -3.827 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.311 4.885 -2.697 1.00 2.78 H new ATOM 0 HG22 ILE A 30 3.881 5.349 -4.318 1.00 2.78 H new ATOM 0 HG23 ILE A 30 2.427 6.113 -3.633 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.315 3.290 -1.399 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.839 2.536 -1.925 1.00 2.00 H new ATOM 0 HD13 ILE A 30 1.807 4.258 -1.477 1.00 2.00 H new ATOM 490 N GLN A 31 3.231 3.533 -7.292 1.00 7.06 N ATOM 491 CA GLN A 31 4.058 3.621 -8.455 1.00 8.67 C ATOM 492 C GLN A 31 3.659 4.601 -9.504 1.00 10.90 C ATOM 493 O GLN A 31 4.441 5.365 -10.068 1.00 9.63 O ATOM 494 CB GLN A 31 4.335 2.268 -9.130 1.00 9.12 C ATOM 495 CG GLN A 31 5.435 2.383 -10.187 1.00 10.76 C ATOM 496 CD GLN A 31 5.780 0.983 -10.676 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.101 -0.033 -10.535 1.00 14.48 O ATOM 498 NE2 GLN A 31 6.772 0.953 -11.606 1.00 14.76 N ATOM 0 H GLN A 31 3.009 2.584 -6.992 1.00 7.06 H new ATOM 0 HA GLN A 31 4.970 4.010 -8.003 1.00 8.67 H new ATOM 0 HB2 GLN A 31 4.628 1.538 -8.376 1.00 9.12 H new ATOM 0 HB3 GLN A 31 3.421 1.898 -9.594 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.099 3.003 -11.018 1.00 10.76 H new ATOM 0 HG3 GLN A 31 6.317 2.866 -9.766 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.358 1.775 -11.754 1.00 14.76 H new ATOM 0 HE22 GLN A 31 6.930 0.109 -12.156 1.00 14.76 H new ATOM 507 N ASP A 32 2.364 4.585 -9.868 1.00 10.93 N ATOM 508 CA ASP A 32 1.729 5.303 -10.929 1.00 14.01 C ATOM 509 C ASP A 32 1.499 6.750 -10.654 1.00 14.04 C ATOM 510 O ASP A 32 1.861 7.618 -11.447 1.00 13.39 O ATOM 511 CB ASP A 32 0.441 4.645 -11.452 1.00 18.01 C ATOM 512 CG ASP A 32 -0.146 5.271 -12.710 1.00 24.33 C ATOM 513 OD1 ASP A 32 0.635 5.300 -13.697 1.00 25.17 O ATOM 514 OD2 ASP A 32 -1.345 5.657 -12.751 1.00 26.29 O ATOM 0 H ASP A 32 1.693 4.006 -9.363 1.00 10.93 H new ATOM 0 HA ASP A 32 2.472 5.248 -11.725 1.00 14.01 H new ATOM 0 HB2 ASP A 32 0.645 3.593 -11.651 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -0.311 4.680 -10.664 1.00 18.01 H new ATOM 519 N LYS A 33 0.822 7.044 -9.529 1.00 14.22 N ATOM 520 CA LYS A 33 0.314 8.336 -9.187 1.00 14.00 C ATOM 521 C LYS A 33 1.386 9.194 -8.609 1.00 12.37 C ATOM 522 O LYS A 33 1.871 10.092 -9.296 1.00 12.17 O ATOM 523 CB LYS A 33 -0.800 8.233 -8.132 1.00 18.62 C ATOM 524 CG LYS A 33 -1.657 9.492 -7.990 1.00 24.00 C ATOM 525 CD LYS A 33 -2.317 10.127 -9.216 1.00 27.61 C ATOM 526 CE LYS A 33 -3.329 11.242 -8.942 1.00 27.64 C ATOM 527 NZ LYS A 33 -4.079 11.481 -10.195 1.00 30.06 N ATOM 0 H LYS A 33 0.618 6.340 -8.819 1.00 14.22 H new ATOM 0 HA LYS A 33 -0.073 8.772 -10.108 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -1.448 7.394 -8.387 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -0.349 8.005 -7.166 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.452 9.261 -7.281 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.031 10.257 -7.530 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.532 10.528 -9.858 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.819 9.341 -9.780 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -4.007 10.955 -8.138 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.820 12.151 -8.621 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -4.778 12.236 -10.043 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -3.419 11.767 -10.946 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -4.569 10.608 -10.478 1.00 30.06 H new ATOM 541 N GLU A 34 1.883 8.935 -7.387 1.00 10.11 N ATOM 542 CA GLU A 34 2.978 9.639 -6.794 1.00 10.07 C ATOM 543 C GLU A 34 4.274 9.617 -7.529 1.00 9.32 C ATOM 544 O GLU A 34 4.986 10.620 -7.529 1.00 11.61 O ATOM 545 CB GLU A 34 3.176 9.236 -5.323 1.00 14.77 C ATOM 546 CG GLU A 34 1.998 9.552 -4.401 1.00 18.75 C ATOM 547 CD GLU A 34 1.812 11.063 -4.384 1.00 22.28 C ATOM 548 OE1 GLU A 34 2.851 11.744 -4.173 1.00 21.95 O ATOM 549 OE2 GLU A 34 0.668 11.565 -4.546 1.00 25.19 O ATOM 0 H GLU A 34 1.505 8.203 -6.785 1.00 10.11 H new ATOM 0 HA GLU A 34 2.662 10.680 -6.860 1.00 10.07 H new ATOM 0 HB2 GLU A 34 3.375 8.165 -5.279 1.00 14.77 H new ATOM 0 HB3 GLU A 34 4.063 9.741 -4.940 1.00 14.77 H new ATOM 0 HG2 GLU A 34 1.093 9.060 -4.756 1.00 18.75 H new ATOM 0 HG3 GLU A 34 2.190 9.179 -3.395 1.00 18.75 H new ATOM 556 N GLY A 35 4.735 8.480 -8.080 1.00 7.22 N ATOM 557 CA GLY A 35 6.058 8.291 -8.587 1.00 6.29 C ATOM 558 C GLY A 35 7.103 7.657 -7.734 1.00 6.93 C ATOM 559 O GLY A 35 8.320 7.767 -7.869 1.00 7.41 O ATOM 0 H GLY A 35 4.153 7.648 -8.177 1.00 7.22 H new ATOM 0 HA2 GLY A 35 5.974 7.693 -9.494 1.00 6.29 H new ATOM 0 HA3 GLY A 35 6.433 9.270 -8.884 1.00 6.29 H new ATOM 563 N ILE A 36 6.679 7.046 -6.614 1.00 5.86 N ATOM 564 CA ILE A 36 7.498 6.285 -5.722 1.00 6.07 C ATOM 565 C ILE A 36 7.834 4.922 -6.221 1.00 6.36 C ATOM 566 O ILE A 36 6.850 4.221 -6.451 1.00 6.18 O ATOM 567 CB ILE A 36 6.910 6.065 -4.360 1.00 7.47 C ATOM 568 CG1 ILE A 36 6.499 7.398 -3.713 1.00 8.52 C ATOM 569 CG2 ILE A 36 7.884 5.288 -3.457 1.00 7.36 C ATOM 570 CD1 ILE A 36 5.791 7.164 -2.379 1.00 9.49 C ATOM 0 H ILE A 36 5.705 7.086 -6.313 1.00 5.86 H new ATOM 0 HA ILE A 36 8.383 6.919 -5.662 1.00 6.07 H new ATOM 0 HB ILE A 36 6.010 5.461 -4.478 1.00 7.47 H new ATOM 0 HG12 ILE A 36 7.382 8.018 -3.556 1.00 8.52 H new ATOM 0 HG13 ILE A 36 5.840 7.946 -4.387 1.00 8.52 H new ATOM 0 HG21 ILE A 36 7.433 5.142 -2.476 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.100 4.318 -3.905 1.00 7.36 H new ATOM 0 HG23 ILE A 36 8.810 5.853 -3.350 1.00 7.36 H new ATOM 0 HD11 ILE A 36 5.511 8.123 -1.943 1.00 9.49 H new ATOM 0 HD12 ILE A 36 4.896 6.564 -2.543 1.00 9.49 H new ATOM 0 HD13 ILE A 36 6.461 6.638 -1.699 1.00 9.49 H new ATOM 582 N PRO A 37 9.050 4.477 -6.332 1.00 8.65 N ATOM 583 CA PRO A 37 9.380 3.313 -7.102 1.00 9.18 C ATOM 584 C PRO A 37 9.063 2.032 -6.410 1.00 9.85 C ATOM 585 O PRO A 37 8.946 2.138 -5.190 1.00 8.51 O ATOM 586 CB PRO A 37 10.905 3.397 -7.132 1.00 11.42 C ATOM 587 CG PRO A 37 11.157 4.913 -7.168 1.00 9.27 C ATOM 588 CD PRO A 37 10.161 5.386 -6.098 1.00 8.33 C ATOM 0 HA PRO A 37 8.843 3.306 -8.051 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.354 2.932 -6.254 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.321 2.896 -8.006 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.187 5.168 -6.918 1.00 9.27 H new ATOM 0 HG3 PRO A 37 10.950 5.345 -8.147 1.00 9.27 H new ATOM 0 HD2 PRO A 37 10.564 5.293 -5.090 1.00 8.33 H new ATOM 0 HD3 PRO A 37 9.876 6.429 -6.233 1.00 8.33 H new ATOM 596 N PRO A 38 8.879 0.851 -6.920 1.00 8.71 N ATOM 597 CA PRO A 38 8.388 -0.279 -6.186 1.00 9.08 C ATOM 598 C PRO A 38 9.409 -0.779 -5.222 1.00 9.28 C ATOM 599 O PRO A 38 8.884 -1.310 -4.245 1.00 6.50 O ATOM 600 CB PRO A 38 8.178 -1.307 -7.296 1.00 10.31 C ATOM 601 CG PRO A 38 7.783 -0.464 -8.520 1.00 10.81 C ATOM 602 CD PRO A 38 8.853 0.627 -8.358 1.00 12.00 C ATOM 0 HA PRO A 38 7.499 -0.059 -5.595 1.00 9.08 H new ATOM 0 HB2 PRO A 38 9.085 -1.881 -7.484 1.00 10.31 H new ATOM 0 HB3 PRO A 38 7.397 -2.021 -7.035 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.866 -1.009 -9.460 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.765 -0.078 -8.464 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.823 0.300 -8.733 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.590 1.534 -8.903 1.00 12.00 H new ATOM 610 N ASP A 39 10.731 -0.574 -5.364 1.00 11.20 N ATOM 611 CA ASP A 39 11.637 -0.990 -4.339 1.00 14.96 C ATOM 612 C ASP A 39 11.804 -0.148 -3.121 1.00 13.99 C ATOM 613 O ASP A 39 12.452 -0.510 -2.141 1.00 13.75 O ATOM 614 CB ASP A 39 12.929 -1.385 -5.073 1.00 24.16 C ATOM 615 CG ASP A 39 13.759 -0.143 -5.363 1.00 31.06 C ATOM 616 OD1 ASP A 39 14.353 0.431 -4.412 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.853 0.258 -6.554 1.00 35.55 O ATOM 0 H ASP A 39 11.166 -0.129 -6.172 1.00 11.20 H new ATOM 0 HA ASP A 39 11.189 -1.831 -3.810 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.504 -2.084 -4.465 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.687 -1.897 -6.004 1.00 24.16 H new ATOM 622 N GLN A 40 11.126 1.000 -2.939 1.00 11.60 N ATOM 623 CA GLN A 40 11.072 1.750 -1.723 1.00 10.76 C ATOM 624 C GLN A 40 10.006 1.168 -0.860 1.00 8.01 C ATOM 625 O GLN A 40 9.971 1.356 0.355 1.00 8.96 O ATOM 626 CB GLN A 40 11.063 3.284 -1.843 1.00 11.14 C ATOM 627 CG GLN A 40 12.398 3.705 -2.459 1.00 14.85 C ATOM 628 CD GLN A 40 12.323 5.138 -2.967 1.00 16.11 C ATOM 629 OE1 GLN A 40 11.669 6.008 -2.394 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.115 5.324 -4.057 1.00 18.16 N ATOM 0 H GLN A 40 10.583 1.430 -3.688 1.00 11.60 H new ATOM 0 HA GLN A 40 12.037 1.635 -1.230 1.00 10.76 H new ATOM 0 HB2 GLN A 40 10.232 3.615 -2.466 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.930 3.744 -0.864 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.191 3.617 -1.717 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.654 3.035 -3.280 1.00 14.85 H new ATOM 0 HE21 GLN A 40 13.620 4.535 -4.461 1.00 18.16 H new ATOM 0 HE22 GLN A 40 13.204 6.252 -4.470 1.00 18.16 H new ATOM 639 N GLN A 41 9.004 0.506 -1.467 1.00 6.52 N ATOM 640 CA GLN A 41 7.713 0.445 -0.854 1.00 3.87 C ATOM 641 C GLN A 41 7.440 -0.734 0.015 1.00 4.79 C ATOM 642 O GLN A 41 7.655 -1.884 -0.363 1.00 6.34 O ATOM 643 CB GLN A 41 6.550 0.520 -1.857 1.00 4.20 C ATOM 644 CG GLN A 41 6.373 1.849 -2.594 1.00 3.20 C ATOM 645 CD GLN A 41 5.204 1.760 -3.565 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.105 1.780 -3.012 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.452 1.778 -4.902 1.00 7.13 N ATOM 0 H GLN A 41 9.083 0.023 -2.362 1.00 6.52 H new ATOM 0 HA GLN A 41 7.760 1.333 -0.223 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.687 -0.267 -2.599 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.625 0.298 -1.325 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.199 2.651 -1.876 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.286 2.098 -3.135 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.413 1.758 -5.243 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.677 1.812 -5.564 1.00 7.13 H new ATOM 656 N ARG A 42 6.956 -0.446 1.236 1.00 5.73 N ATOM 657 CA ARG A 42 6.410 -1.389 2.163 1.00 6.97 C ATOM 658 C ARG A 42 5.251 -0.763 2.858 1.00 7.15 C ATOM 659 O ARG A 42 5.474 0.321 3.397 1.00 7.33 O ATOM 660 CB ARG A 42 7.370 -2.052 3.166 1.00 13.23 C ATOM 661 CG ARG A 42 6.720 -2.772 4.349 1.00 21.27 C ATOM 662 CD ARG A 42 7.693 -3.789 4.948 1.00 26.14 C ATOM 663 NE ARG A 42 7.677 -5.012 4.096 1.00 32.26 N ATOM 664 CZ ARG A 42 8.478 -6.068 4.421 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.469 -5.976 5.355 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.243 -7.333 3.966 1.00 36.39 N ATOM 0 H ARG A 42 6.945 0.507 1.599 1.00 5.73 H new ATOM 0 HA ARG A 42 6.112 -2.238 1.547 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.988 -2.769 2.626 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.039 -1.286 3.557 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.427 -2.047 5.109 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.811 -3.277 4.022 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.699 -3.371 4.993 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.404 -4.035 5.970 1.00 26.14 H new ATOM 0 HE ARG A 42 7.072 -5.059 3.276 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.633 -5.093 5.839 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.046 -6.790 5.569 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.444 -7.517 3.359 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.866 -8.095 4.233 1.00 36.39 H new ATOM 680 N LEU A 43 4.011 -1.281 2.809 1.00 4.65 N ATOM 681 CA LEU A 43 2.868 -0.679 3.424 1.00 3.51 C ATOM 682 C LEU A 43 2.487 -1.405 4.668 1.00 5.56 C ATOM 683 O LEU A 43 2.596 -2.628 4.741 1.00 4.19 O ATOM 684 CB LEU A 43 1.639 -0.804 2.508 1.00 3.74 C ATOM 685 CG LEU A 43 1.551 -0.017 1.189 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.348 -0.582 0.416 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.311 1.442 1.612 1.00 9.55 C ATOM 0 H LEU A 43 3.796 -2.152 2.323 1.00 4.65 H new ATOM 0 HA LEU A 43 3.136 0.358 3.624 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.533 -1.860 2.258 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.768 -0.529 3.103 1.00 3.74 H new ATOM 0 HG LEU A 43 2.436 -0.087 0.557 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.244 -0.053 -0.531 1.00 6.41 H new ATOM 0 HD12 LEU A 43 0.505 -1.643 0.224 1.00 6.41 H new ATOM 0 HD13 LEU A 43 -0.558 -0.450 1.007 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.236 2.071 0.725 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.384 1.508 2.182 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.142 1.783 2.229 1.00 9.55 H new ATOM 699 N ILE A 44 2.131 -0.633 5.711 1.00 4.58 N ATOM 700 CA ILE A 44 1.780 -1.096 7.017 1.00 5.55 C ATOM 701 C ILE A 44 0.361 -0.767 7.330 1.00 5.46 C ATOM 702 O ILE A 44 -0.095 0.366 7.181 1.00 6.04 O ATOM 703 CB ILE A 44 2.716 -0.598 8.078 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.195 -0.735 7.681 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.373 -1.168 9.464 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.751 -2.137 7.438 1.00 13.90 C ATOM 0 H ILE A 44 2.086 0.383 5.635 1.00 4.58 H new ATOM 0 HA ILE A 44 1.883 -2.181 7.012 1.00 5.55 H new ATOM 0 HB ILE A 44 2.560 0.477 8.165 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.351 -0.153 6.773 1.00 10.31 H new ATOM 0 HG13 ILE A 44 4.794 -0.270 8.464 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.076 -0.781 10.201 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.360 -0.873 9.739 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.439 -2.256 9.437 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.804 -2.069 7.167 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.648 -2.732 8.346 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.198 -2.612 6.628 1.00 13.90 H new ATOM 718 N PHE A 45 -0.480 -1.640 7.912 1.00 6.75 N ATOM 719 CA PHE A 45 -1.706 -1.308 8.570 1.00 4.70 C ATOM 720 C PHE A 45 -1.474 -1.520 10.027 1.00 6.34 C ATOM 721 O PHE A 45 -1.386 -2.655 10.493 1.00 5.45 O ATOM 722 CB PHE A 45 -2.838 -2.198 8.029 1.00 5.51 C ATOM 723 CG PHE A 45 -4.084 -1.699 8.675 1.00 5.98 C ATOM 724 CD1 PHE A 45 -4.615 -0.474 8.348 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.513 -2.365 9.799 1.00 5.87 C ATOM 726 CE1 PHE A 45 -5.609 0.071 9.127 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.532 -1.848 10.564 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.943 -0.563 10.301 1.00 6.84 C ATOM 0 H PHE A 45 -0.291 -2.642 7.924 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.006 -0.276 8.390 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.905 -2.130 6.943 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.663 -3.246 8.272 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.253 0.059 7.482 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.048 -3.298 10.082 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.115 0.976 8.824 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -5.994 -2.432 11.346 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.541 -0.040 11.032 1.00 6.84 H new ATOM 738 N ALA A 46 -1.281 -0.388 10.726 1.00 6.53 N ATOM 739 CA ALA A 46 -0.818 -0.261 12.073 1.00 7.15 C ATOM 740 C ALA A 46 0.534 -0.768 12.442 1.00 9.00 C ATOM 741 O ALA A 46 1.455 0.021 12.648 1.00 11.15 O ATOM 742 CB ALA A 46 -1.874 -0.825 13.039 1.00 8.99 C ATOM 0 H ALA A 46 -1.467 0.523 10.307 1.00 6.53 H new ATOM 0 HA ALA A 46 -0.678 0.816 12.163 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.518 -0.727 14.065 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -2.806 -0.271 12.923 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.047 -1.877 12.814 1.00 8.99 H new ATOM 748 N GLY A 47 0.677 -2.095 12.611 1.00 9.35 N ATOM 749 CA GLY A 47 1.958 -2.670 12.880 1.00 11.68 C ATOM 750 C GLY A 47 2.047 -3.998 12.210 1.00 11.14 C ATOM 751 O GLY A 47 2.884 -4.837 12.542 1.00 13.93 O ATOM 0 H GLY A 47 -0.090 -2.766 12.562 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.749 -2.013 12.518 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.102 -2.781 13.955 1.00 11.68 H new ATOM 755 N LYS A 48 1.227 -4.280 11.182 1.00 10.47 N ATOM 756 CA LYS A 48 1.223 -5.523 10.476 1.00 8.82 C ATOM 757 C LYS A 48 1.608 -5.154 9.085 1.00 7.68 C ATOM 758 O LYS A 48 1.033 -4.307 8.403 1.00 6.47 O ATOM 759 CB LYS A 48 -0.176 -6.153 10.585 1.00 9.74 C ATOM 760 CG LYS A 48 -0.439 -7.362 9.684 1.00 14.14 C ATOM 761 CD LYS A 48 -1.938 -7.614 9.510 1.00 16.32 C ATOM 762 CE LYS A 48 -2.568 -8.248 10.752 1.00 20.04 C ATOM 763 NZ LYS A 48 -4.041 -8.386 10.707 1.00 23.92 N ATOM 0 H LYS A 48 0.539 -3.615 10.829 1.00 10.47 H new ATOM 0 HA LYS A 48 1.910 -6.273 10.867 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -0.338 -6.454 11.620 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.917 -5.387 10.357 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.019 -7.197 8.709 1.00 14.14 H new ATOM 0 HG3 LYS A 48 0.033 -8.246 10.113 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.440 -6.671 9.292 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -2.097 -8.266 8.651 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -2.130 -9.235 10.899 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.301 -7.648 11.622 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -4.376 -8.824 11.589 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -4.475 -7.447 10.601 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -4.309 -8.984 9.900 1.00 23.92 H new ATOM 777 N GLN A 49 2.605 -5.913 8.595 1.00 8.89 N ATOM 778 CA GLN A 49 3.074 -5.680 7.264 1.00 7.18 C ATOM 779 C GLN A 49 2.151 -6.224 6.229 1.00 8.23 C ATOM 780 O GLN A 49 1.636 -7.337 6.322 1.00 9.70 O ATOM 781 CB GLN A 49 4.480 -6.302 7.237 1.00 11.67 C ATOM 782 CG GLN A 49 4.623 -7.785 7.590 1.00 15.82 C ATOM 783 CD GLN A 49 6.111 -8.089 7.692 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.772 -7.934 8.718 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.689 -8.614 6.579 1.00 20.67 N ATOM 0 H GLN A 49 3.074 -6.665 9.101 1.00 8.89 H new ATOM 0 HA GLN A 49 3.112 -4.619 7.016 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.889 -6.157 6.237 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.108 -5.734 7.924 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.121 -8.005 8.532 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.156 -8.408 6.827 1.00 15.82 H new ATOM 0 HE21 GLN A 49 6.138 -8.741 5.730 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.673 -8.881 6.593 1.00 20.67 H new ATOM 794 N LEU A 50 2.032 -5.493 5.107 1.00 6.51 N ATOM 795 CA LEU A 50 1.147 -5.902 4.060 1.00 7.41 C ATOM 796 C LEU A 50 1.971 -6.490 2.966 1.00 8.27 C ATOM 797 O LEU A 50 2.678 -5.716 2.322 1.00 8.34 O ATOM 798 CB LEU A 50 0.129 -4.842 3.606 1.00 7.13 C ATOM 799 CG LEU A 50 -0.708 -4.201 4.725 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.700 -3.166 4.168 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.594 -5.237 5.437 1.00 8.14 C ATOM 0 H LEU A 50 2.542 -4.628 4.925 1.00 6.51 H new ATOM 0 HA LEU A 50 0.476 -6.666 4.452 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.665 -4.052 3.080 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.550 -5.301 2.887 1.00 7.13 H new ATOM 0 HG LEU A 50 0.020 -3.751 5.400 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.274 -2.734 4.988 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.152 -2.377 3.654 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.378 -3.653 3.467 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.170 -4.746 6.221 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.275 -5.690 4.716 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.966 -6.011 5.879 1.00 8.14 H new ATOM 813 N GLU A 51 1.853 -7.812 2.754 1.00 9.43 N ATOM 814 CA GLU A 51 2.653 -8.466 1.765 1.00 11.90 C ATOM 815 C GLU A 51 1.945 -8.561 0.457 1.00 11.49 C ATOM 816 O GLU A 51 0.716 -8.609 0.475 1.00 9.88 O ATOM 817 CB GLU A 51 3.102 -9.877 2.183 1.00 16.56 C ATOM 818 CG GLU A 51 4.163 -9.867 3.285 1.00 26.06 C ATOM 819 CD GLU A 51 5.453 -9.150 2.912 1.00 29.86 C ATOM 820 OE1 GLU A 51 6.156 -9.441 1.908 1.00 33.44 O ATOM 821 OE2 GLU A 51 5.828 -8.276 3.739 1.00 32.13 O ATOM 0 H GLU A 51 1.212 -8.423 3.260 1.00 9.43 H new ATOM 0 HA GLU A 51 3.540 -7.841 1.663 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.235 -10.441 2.527 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.497 -10.399 1.312 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.743 -9.394 4.172 1.00 26.06 H new ATOM 0 HG3 GLU A 51 4.399 -10.897 3.554 1.00 26.06 H new ATOM 828 N ASP A 52 2.751 -8.564 -0.619 1.00 12.71 N ATOM 829 CA ASP A 52 2.408 -8.444 -2.002 1.00 16.56 C ATOM 830 C ASP A 52 1.177 -9.169 -2.422 1.00 15.83 C ATOM 831 O ASP A 52 0.219 -8.590 -2.933 1.00 17.21 O ATOM 832 CB ASP A 52 3.484 -8.952 -2.976 1.00 21.05 C ATOM 833 CG ASP A 52 4.814 -8.223 -2.841 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.874 -7.073 -3.350 1.00 25.82 O ATOM 835 OD2 ASP A 52 5.786 -8.829 -2.314 1.00 28.37 O ATOM 0 H ASP A 52 3.760 -8.662 -0.502 1.00 12.71 H new ATOM 0 HA ASP A 52 2.273 -7.364 -2.064 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.643 -10.017 -2.807 1.00 21.05 H new ATOM 0 HB3 ASP A 52 3.120 -8.842 -3.998 1.00 21.05 H new ATOM 840 N GLY A 53 1.171 -10.510 -2.320 1.00 15.00 N ATOM 841 CA GLY A 53 0.293 -11.374 -3.046 1.00 11.77 C ATOM 842 C GLY A 53 -1.097 -11.402 -2.511 1.00 11.10 C ATOM 843 O GLY A 53 -2.061 -11.734 -3.199 1.00 11.25 O ATOM 0 H GLY A 53 1.807 -11.015 -1.703 1.00 15.00 H new ATOM 0 HA2 GLY A 53 0.265 -11.057 -4.088 1.00 11.77 H new ATOM 0 HA3 GLY A 53 0.699 -12.385 -3.031 1.00 11.77 H new ATOM 847 N ARG A 54 -1.219 -11.103 -1.205 1.00 8.53 N ATOM 848 CA ARG A 54 -2.555 -11.177 -0.700 1.00 9.05 C ATOM 849 C ARG A 54 -3.337 -9.932 -0.946 1.00 8.96 C ATOM 850 O ARG A 54 -2.770 -8.893 -1.282 1.00 11.60 O ATOM 851 CB ARG A 54 -2.600 -11.345 0.828 1.00 7.97 C ATOM 852 CG ARG A 54 -2.082 -12.741 1.183 1.00 9.62 C ATOM 853 CD ARG A 54 -2.993 -13.911 0.806 1.00 12.20 C ATOM 854 NE ARG A 54 -2.330 -15.047 1.506 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.974 -15.814 2.434 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.320 -15.767 2.656 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.360 -16.892 3.004 1.00 25.50 N ATOM 0 H ARG A 54 -0.479 -10.837 -0.556 1.00 8.53 H new ATOM 0 HA ARG A 54 -2.975 -12.035 -1.225 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -1.990 -10.581 1.310 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.619 -11.216 1.193 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -1.119 -12.884 0.694 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.903 -12.778 2.258 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -4.017 -13.760 1.149 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -3.038 -14.064 -0.272 1.00 12.20 H new ATOM 0 HE ARG A 54 -1.358 -15.260 1.283 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.905 -15.132 2.113 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.741 -16.367 3.365 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.406 -17.135 2.738 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.856 -17.454 3.696 1.00 25.50 H new ATOM 871 N THR A 55 -4.673 -10.006 -0.809 1.00 9.05 N ATOM 872 CA THR A 55 -5.554 -8.944 -1.185 1.00 9.03 C ATOM 873 C THR A 55 -5.963 -8.071 -0.050 1.00 8.15 C ATOM 874 O THR A 55 -5.759 -8.369 1.126 1.00 5.91 O ATOM 875 CB THR A 55 -6.786 -9.456 -1.870 1.00 11.15 C ATOM 876 OG1 THR A 55 -7.588 -10.291 -1.047 1.00 11.95 O ATOM 877 CG2 THR A 55 -6.467 -10.296 -3.118 1.00 11.71 C ATOM 0 H THR A 55 -5.152 -10.822 -0.428 1.00 9.05 H new ATOM 0 HA THR A 55 -4.969 -8.338 -1.877 1.00 9.03 H new ATOM 0 HB THR A 55 -7.321 -8.542 -2.129 1.00 11.15 H new ATOM 0 HG1 THR A 55 -8.510 -9.959 -1.044 1.00 11.95 H new ATOM 0 HG21 THR A 55 -7.396 -10.640 -3.572 1.00 11.71 H new ATOM 0 HG22 THR A 55 -5.916 -9.688 -3.835 1.00 11.71 H new ATOM 0 HG23 THR A 55 -5.863 -11.157 -2.832 1.00 11.71 H new ATOM 885 N LEU A 56 -6.601 -6.930 -0.369 1.00 6.91 N ATOM 886 CA LEU A 56 -7.200 -6.031 0.568 1.00 8.29 C ATOM 887 C LEU A 56 -8.326 -6.660 1.315 1.00 8.05 C ATOM 888 O LEU A 56 -8.411 -6.471 2.527 1.00 10.17 O ATOM 889 CB LEU A 56 -7.755 -4.711 0.006 1.00 6.60 C ATOM 890 CG LEU A 56 -6.686 -3.841 -0.677 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.264 -2.703 -1.534 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.786 -3.199 0.392 1.00 9.85 C ATOM 0 H LEU A 56 -6.704 -6.618 -1.335 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.346 -5.795 1.204 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.545 -4.934 -0.712 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.212 -4.143 0.816 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.136 -4.512 -1.336 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.449 -2.135 -1.982 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.890 -3.123 -2.322 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.864 -2.044 -0.907 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.029 -2.583 -0.092 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.391 -2.578 1.052 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.299 -3.981 0.975 1.00 9.85 H new ATOM 904 N SER A 57 -9.229 -7.449 0.707 1.00 8.92 N ATOM 905 CA SER A 57 -10.165 -8.318 1.351 1.00 9.00 C ATOM 906 C SER A 57 -9.553 -9.305 2.284 1.00 9.44 C ATOM 907 O SER A 57 -10.029 -9.536 3.395 1.00 10.91 O ATOM 908 CB SER A 57 -11.009 -9.033 0.282 1.00 10.32 C ATOM 909 OG SER A 57 -10.313 -9.700 -0.761 1.00 13.59 O ATOM 0 H SER A 57 -9.310 -7.481 -0.309 1.00 8.92 H new ATOM 0 HA SER A 57 -10.792 -7.687 1.981 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.642 -9.764 0.786 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.672 -8.296 -0.172 1.00 10.32 H new ATOM 0 HG SER A 57 -10.958 -10.114 -1.372 1.00 13.59 H new ATOM 915 N ASP A 58 -8.441 -9.979 1.938 1.00 9.11 N ATOM 916 CA ASP A 58 -7.865 -11.026 2.722 1.00 7.91 C ATOM 917 C ASP A 58 -7.273 -10.505 3.986 1.00 9.12 C ATOM 918 O ASP A 58 -7.413 -11.242 4.961 1.00 8.61 O ATOM 919 CB ASP A 58 -6.804 -11.767 1.890 1.00 8.41 C ATOM 920 CG ASP A 58 -6.503 -13.202 2.296 1.00 11.50 C ATOM 921 OD1 ASP A 58 -5.829 -13.313 3.355 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.673 -14.146 1.479 1.00 10.05 O ATOM 0 H ASP A 58 -7.924 -9.787 1.080 1.00 9.11 H new ATOM 0 HA ASP A 58 -8.657 -11.721 3.001 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.126 -11.768 0.849 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -5.876 -11.198 1.936 1.00 8.41 H new ATOM 927 N TYR A 59 -6.681 -9.298 3.939 1.00 7.97 N ATOM 928 CA TYR A 59 -6.067 -8.657 5.060 1.00 8.45 C ATOM 929 C TYR A 59 -7.024 -7.777 5.787 1.00 10.98 C ATOM 930 O TYR A 59 -6.671 -7.247 6.839 1.00 12.95 O ATOM 931 CB TYR A 59 -5.072 -7.607 4.539 1.00 7.94 C ATOM 932 CG TYR A 59 -3.681 -8.141 4.507 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.160 -8.620 5.685 1.00 6.98 C ATOM 934 CD2 TYR A 59 -2.991 -8.347 3.336 1.00 4.59 C ATOM 935 CE1 TYR A 59 -1.874 -9.104 5.744 1.00 6.52 C ATOM 936 CE2 TYR A 59 -1.754 -8.946 3.387 1.00 5.39 C ATOM 937 CZ TYR A 59 -1.187 -9.339 4.576 1.00 6.76 C ATOM 938 OH TYR A 59 0.139 -9.809 4.678 1.00 7.63 O ATOM 0 H TYR A 59 -6.628 -8.746 3.083 1.00 7.97 H new ATOM 0 HA TYR A 59 -5.655 -9.457 5.675 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.365 -7.292 3.537 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.109 -6.722 5.175 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.769 -8.616 6.577 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -3.414 -8.043 2.390 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.408 -9.298 6.699 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -1.213 -9.112 2.467 1.00 5.39 H new ATOM 0 HH TYR A 59 0.681 -9.156 5.168 1.00 7.63 H new ATOM 948 N ASN A 60 -8.305 -7.818 5.379 1.00 12.38 N ATOM 949 CA ASN A 60 -9.388 -7.126 6.006 1.00 13.94 C ATOM 950 C ASN A 60 -9.308 -5.642 6.110 1.00 14.16 C ATOM 951 O ASN A 60 -9.632 -5.019 7.120 1.00 14.26 O ATOM 952 CB ASN A 60 -9.828 -7.806 7.313 1.00 19.23 C ATOM 953 CG ASN A 60 -9.870 -9.317 7.135 1.00 22.65 C ATOM 954 OD1 ASN A 60 -9.113 -10.174 7.587 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.023 -9.745 6.555 1.00 24.09 N ATOM 0 H ASN A 60 -8.600 -8.363 4.569 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.187 -7.233 5.273 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.138 -7.547 8.116 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.812 -7.440 7.608 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -11.231 -10.743 6.508 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -11.680 -9.068 6.167 1.00 24.09 H new ATOM 962 N ILE A 61 -8.824 -5.004 5.029 1.00 11.08 N ATOM 963 CA ILE A 61 -8.701 -3.583 4.921 1.00 11.78 C ATOM 964 C ILE A 61 -10.091 -3.093 4.701 1.00 13.74 C ATOM 965 O ILE A 61 -10.821 -3.528 3.812 1.00 14.60 O ATOM 966 CB ILE A 61 -7.668 -3.299 3.871 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.319 -3.914 4.278 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.587 -1.794 3.565 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.904 -3.749 5.740 1.00 11.42 C ATOM 0 H ILE A 61 -8.505 -5.499 4.196 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.328 -3.046 5.793 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.963 -3.775 2.936 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.348 -4.980 4.050 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -5.542 -3.475 3.652 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.830 -1.618 2.801 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.554 -1.443 3.205 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.319 -1.252 4.472 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.937 -4.225 5.900 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.830 -2.688 5.980 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -6.649 -4.216 6.385 1.00 11.42 H new ATOM 981 N GLN A 62 -10.539 -2.068 5.448 1.00 13.97 N ATOM 982 CA GLN A 62 -11.765 -1.399 5.143 1.00 15.52 C ATOM 983 C GLN A 62 -11.589 -0.212 4.260 1.00 13.94 C ATOM 984 O GLN A 62 -10.469 0.211 3.978 1.00 12.15 O ATOM 985 CB GLN A 62 -12.479 -0.966 6.434 1.00 19.53 C ATOM 986 CG GLN A 62 -13.088 -2.146 7.194 1.00 26.38 C ATOM 987 CD GLN A 62 -13.577 -1.771 8.586 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.301 -0.793 8.766 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.204 -2.582 9.612 1.00 32.71 N ATOM 0 H GLN A 62 -10.051 -1.702 6.265 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.371 -2.122 4.597 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.770 -0.449 7.081 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.265 -0.252 6.188 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.921 -2.550 6.619 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.345 -2.939 7.278 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.603 -3.386 9.434 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.526 -2.386 10.560 1.00 32.71 H new ATOM 998 N LYS A 63 -12.726 0.392 3.870 1.00 11.73 N ATOM 999 CA LYS A 63 -12.961 1.636 3.206 1.00 11.97 C ATOM 1000 C LYS A 63 -12.522 2.801 4.025 1.00 10.41 C ATOM 1001 O LYS A 63 -12.772 2.929 5.223 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.388 1.726 2.639 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.491 1.620 3.694 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.821 2.234 3.252 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.949 2.229 4.286 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.584 2.684 5.647 1.00 25.97 N ATOM 0 H LYS A 63 -13.616 -0.072 4.053 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.321 1.677 2.325 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.497 2.672 2.109 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.526 0.932 1.905 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.649 0.570 3.939 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -15.158 2.114 4.607 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.638 3.265 2.951 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -17.166 1.700 2.367 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -18.756 2.862 3.917 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -18.345 1.216 4.357 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.420 2.640 6.264 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.838 2.069 6.030 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -17.236 3.663 5.604 1.00 25.97 H new ATOM 1020 N GLU A 64 -11.645 3.722 3.588 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.155 4.934 4.167 1.00 10.94 C ATOM 1022 C GLU A 64 -10.319 4.558 5.342 1.00 9.74 C ATOM 1023 O GLU A 64 -10.348 5.307 6.318 1.00 9.42 O ATOM 1024 CB GLU A 64 -12.271 5.924 4.542 1.00 18.31 C ATOM 1025 CG GLU A 64 -13.106 6.470 3.381 1.00 24.16 C ATOM 1026 CD GLU A 64 -14.129 7.511 3.811 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -15.252 7.128 4.234 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -13.751 8.709 3.716 1.00 32.61 O ATOM 0 H GLU A 64 -11.212 3.585 2.675 1.00 10.04 H new ATOM 0 HA GLU A 64 -10.558 5.471 3.429 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.943 5.433 5.246 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -11.820 6.767 5.066 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -12.440 6.911 2.639 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -13.623 5.643 2.894 1.00 24.16 H new ATOM 1035 N SER A 65 -9.572 3.440 5.351 1.00 6.85 N ATOM 1036 CA SER A 65 -8.768 3.112 6.487 1.00 6.90 C ATOM 1037 C SER A 65 -7.412 3.702 6.300 1.00 4.72 C ATOM 1038 O SER A 65 -6.924 3.827 5.178 1.00 3.91 O ATOM 1039 CB SER A 65 -8.425 1.614 6.432 1.00 7.28 C ATOM 1040 OG SER A 65 -9.596 0.811 6.475 1.00 10.56 O ATOM 0 H SER A 65 -9.524 2.771 4.583 1.00 6.85 H new ATOM 0 HA SER A 65 -9.301 3.438 7.380 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.869 1.400 5.519 1.00 7.28 H new ATOM 0 HB3 SER A 65 -7.775 1.357 7.269 1.00 7.28 H new ATOM 0 HG SER A 65 -9.798 0.479 5.575 1.00 10.56 H new ATOM 1046 N THR A 66 -6.728 4.196 7.347 1.00 4.48 N ATOM 1047 CA THR A 66 -5.461 4.842 7.198 1.00 3.80 C ATOM 1048 C THR A 66 -4.340 3.860 7.171 1.00 4.60 C ATOM 1049 O THR A 66 -4.144 2.988 8.016 1.00 5.33 O ATOM 1050 CB THR A 66 -5.353 5.836 8.316 1.00 2.85 C ATOM 1051 OG1 THR A 66 -6.254 6.907 8.077 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.981 6.530 8.367 1.00 3.40 C ATOM 0 H THR A 66 -7.059 4.147 8.311 1.00 4.48 H new ATOM 0 HA THR A 66 -5.390 5.358 6.240 1.00 3.80 H new ATOM 0 HB THR A 66 -5.545 5.273 9.229 1.00 2.85 H new ATOM 0 HG1 THR A 66 -6.188 7.559 8.806 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.962 7.238 9.196 1.00 3.40 H new ATOM 0 HG22 THR A 66 -3.200 5.783 8.510 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.807 7.062 7.432 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.544 3.930 6.090 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.429 3.046 5.951 1.00 3.85 C ATOM 1062 C LEU A 67 -1.184 3.859 6.043 1.00 3.80 C ATOM 1063 O LEU A 67 -1.224 5.043 5.711 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.342 2.283 4.618 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.212 1.034 4.393 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -4.697 1.258 4.723 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.139 0.557 2.933 1.00 8.12 C ATOM 0 H LEU A 67 -3.669 4.589 5.322 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.554 2.303 6.738 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.577 2.990 3.823 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.303 1.984 4.482 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.804 0.286 5.073 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -5.253 0.338 4.542 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -4.798 1.543 5.770 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -5.094 2.052 4.091 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.764 -0.327 2.807 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -3.493 1.349 2.273 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -2.107 0.310 2.682 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.032 3.337 6.501 1.00 2.94 N ATOM 1080 CA HIS A 68 1.239 3.989 6.434 1.00 4.17 C ATOM 1081 C HIS A 68 2.225 3.284 5.566 1.00 5.32 C ATOM 1082 O HIS A 68 2.514 2.098 5.719 1.00 7.70 O ATOM 1083 CB HIS A 68 1.782 3.852 7.866 1.00 5.57 C ATOM 1084 CG HIS A 68 0.967 4.607 8.873 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.093 4.275 10.207 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.034 5.596 8.865 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.229 5.066 10.900 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.432 5.906 10.126 1.00 16.30 N ATOM 0 H HIS A 68 0.015 2.417 6.939 1.00 2.94 H new ATOM 0 HA HIS A 68 1.114 4.998 6.041 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.805 2.798 8.141 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.811 4.211 7.895 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.307 6.087 7.966 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.098 5.012 11.971 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.119 6.611 10.394 1.00 16.30 H new ATOM 1096 N LEU A 69 2.849 4.048 4.653 1.00 5.29 N ATOM 1097 CA LEU A 69 3.881 3.626 3.757 1.00 3.97 C ATOM 1098 C LEU A 69 5.260 3.873 4.263 1.00 5.07 C ATOM 1099 O LEU A 69 5.544 5.037 4.543 1.00 4.34 O ATOM 1100 CB LEU A 69 3.672 4.311 2.396 1.00 6.08 C ATOM 1101 CG LEU A 69 4.732 3.972 1.335 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.584 2.526 0.833 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.689 5.008 0.199 1.00 6.87 C ATOM 0 H LEU A 69 2.614 5.033 4.533 1.00 5.29 H new ATOM 0 HA LEU A 69 3.799 2.543 3.660 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.691 4.032 2.011 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.661 5.391 2.546 1.00 6.08 H new ATOM 0 HG LEU A 69 5.721 4.028 1.791 1.00 7.37 H new ATOM 0 HD11 LEU A 69 5.349 2.321 0.084 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.701 1.837 1.669 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.597 2.394 0.389 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.443 4.760 -0.548 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.702 4.999 -0.264 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.891 6.000 0.603 1.00 6.87 H new ATOM 1115 N VAL A 70 6.172 2.895 4.409 1.00 4.29 N ATOM 1116 CA VAL A 70 7.473 3.077 4.973 1.00 6.26 C ATOM 1117 C VAL A 70 8.548 2.851 3.966 1.00 9.22 C ATOM 1118 O VAL A 70 8.260 2.284 2.914 1.00 9.36 O ATOM 1119 CB VAL A 70 7.684 2.166 6.146 1.00 8.69 C ATOM 1120 CG1 VAL A 70 6.523 2.294 7.146 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.751 0.649 5.904 1.00 8.54 C ATOM 0 H VAL A 70 5.994 1.933 4.120 1.00 4.29 H new ATOM 0 HA VAL A 70 7.529 4.112 5.310 1.00 6.26 H new ATOM 0 HB VAL A 70 8.665 2.507 6.479 1.00 8.69 H new ATOM 0 HG11 VAL A 70 6.694 1.626 7.990 1.00 9.76 H new ATOM 0 HG12 VAL A 70 6.463 3.322 7.504 1.00 9.76 H new ATOM 0 HG13 VAL A 70 5.588 2.025 6.654 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.907 0.136 6.853 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.816 0.310 5.458 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.577 0.424 5.230 1.00 8.54 H new ATOM 1131 N LEU A 71 9.787 3.252 4.304 1.00 12.71 N ATOM 1132 CA LEU A 71 10.887 3.004 3.425 1.00 16.06 C ATOM 1133 C LEU A 71 11.432 1.642 3.682 1.00 18.09 C ATOM 1134 O LEU A 71 12.096 1.382 4.684 1.00 19.26 O ATOM 1135 CB LEU A 71 11.982 4.081 3.510 1.00 17.10 C ATOM 1136 CG LEU A 71 13.344 3.917 2.815 1.00 19.37 C ATOM 1137 CD1 LEU A 71 13.289 3.703 1.293 1.00 19.57 C ATOM 1138 CD2 LEU A 71 14.224 5.176 2.901 1.00 17.51 C ATOM 0 H LEU A 71 10.025 3.739 5.168 1.00 12.71 H new ATOM 0 HA LEU A 71 10.513 3.054 2.402 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.545 5.004 3.130 1.00 17.10 H new ATOM 0 HB3 LEU A 71 12.187 4.238 4.569 1.00 17.10 H new ATOM 0 HG LEU A 71 13.730 3.048 3.348 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.302 3.599 0.903 1.00 19.57 H new ATOM 0 HD12 LEU A 71 12.721 2.799 1.073 1.00 19.57 H new ATOM 0 HD13 LEU A 71 12.805 4.559 0.822 1.00 19.57 H new ATOM 0 HD21 LEU A 71 15.170 4.994 2.392 1.00 17.51 H new ATOM 0 HD22 LEU A 71 13.711 6.012 2.426 1.00 17.51 H new ATOM 0 HD23 LEU A 71 14.415 5.415 3.947 1.00 17.51 H new ATOM 1150 N ARG A 72 11.345 0.664 2.762 1.00 21.47 N ATOM 1151 CA ARG A 72 11.741 -0.710 2.757 1.00 25.83 C ATOM 1152 C ARG A 72 13.220 -0.782 2.590 1.00 27.74 C ATOM 1153 O ARG A 72 13.809 -0.443 1.565 1.00 30.65 O ATOM 1154 CB ARG A 72 11.172 -1.398 1.505 1.00 28.49 C ATOM 1155 CG ARG A 72 11.123 -2.923 1.618 1.00 31.79 C ATOM 1156 CD ARG A 72 10.750 -3.580 0.288 1.00 34.05 C ATOM 1157 NE ARG A 72 12.040 -3.507 -0.454 1.00 35.08 N ATOM 1158 CZ ARG A 72 12.350 -4.025 -1.678 1.00 34.67 C ATOM 1159 NH1 ARG A 72 11.440 -4.738 -2.405 1.00 35.02 N ATOM 1160 NH2 ARG A 72 13.526 -3.932 -2.365 1.00 34.97 N ATOM 0 H ARG A 72 10.918 0.889 1.863 1.00 21.47 H new ATOM 0 HA ARG A 72 11.395 -1.175 3.680 1.00 25.83 H new ATOM 0 HB2 ARG A 72 10.166 -1.023 1.319 1.00 28.49 H new ATOM 0 HB3 ARG A 72 11.779 -1.124 0.642 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.093 -3.294 1.947 1.00 31.79 H new ATOM 0 HG3 ARG A 72 10.398 -3.208 2.380 1.00 31.79 H new ATOM 0 HD2 ARG A 72 10.410 -4.607 0.419 1.00 34.05 H new ATOM 0 HD3 ARG A 72 9.952 -3.043 -0.224 1.00 34.05 H new ATOM 0 HE ARG A 72 12.792 -3.002 0.016 1.00 35.08 H new ATOM 0 HH11 ARG A 72 10.502 -4.894 -2.036 1.00 35.02 H new ATOM 0 HH12 ARG A 72 11.698 -5.114 -3.317 1.00 35.02 H new ATOM 0 HH21 ARG A 72 14.312 -3.422 -1.963 1.00 34.97 H new ATOM 0 HH22 ARG A 72 13.618 -4.373 -3.280 1.00 34.97 H new ATOM 1174 N LEU A 73 13.969 -1.188 3.631 1.00 28.93 N ATOM 1175 CA LEU A 73 15.392 -1.334 3.607 1.00 30.76 C ATOM 1176 C LEU A 73 15.662 -2.794 3.735 1.00 32.18 C ATOM 1177 O LEU A 73 15.241 -3.453 4.684 1.00 32.31 O ATOM 1178 CB LEU A 73 16.268 -0.449 4.509 1.00 30.53 C ATOM 1179 CG LEU A 73 15.924 1.048 4.595 1.00 30.16 C ATOM 1180 CD1 LEU A 73 16.957 1.716 5.518 1.00 29.11 C ATOM 1181 CD2 LEU A 73 15.953 1.621 3.168 1.00 29.57 C ATOM 0 H LEU A 73 13.561 -1.426 4.535 1.00 28.93 H new ATOM 0 HA LEU A 73 15.728 -0.918 2.657 1.00 30.76 H new ATOM 0 HB2 LEU A 73 16.232 -0.860 5.518 1.00 30.53 H new ATOM 0 HB3 LEU A 73 17.299 -0.537 4.166 1.00 30.53 H new ATOM 0 HG LEU A 73 14.933 1.228 5.011 1.00 30.16 H new ATOM 0 HD11 LEU A 73 16.738 2.781 5.598 1.00 29.11 H new ATOM 0 HD12 LEU A 73 16.910 1.260 6.507 1.00 29.11 H new ATOM 0 HD13 LEU A 73 17.956 1.581 5.104 1.00 29.11 H new ATOM 0 HD21 LEU A 73 15.712 2.684 3.198 1.00 29.57 H new ATOM 0 HD22 LEU A 73 16.947 1.486 2.742 1.00 29.57 H new ATOM 0 HD23 LEU A 73 15.220 1.100 2.552 1.00 29.57 H new ATOM 1193 N ARG A 74 16.232 -3.334 2.643 1.00 33.82 N ATOM 1194 CA ARG A 74 16.585 -4.717 2.546 1.00 35.33 C ATOM 1195 C ARG A 74 18.031 -4.750 2.186 1.00 36.22 C ATOM 1196 O ARG A 74 18.465 -4.152 1.202 1.00 36.70 O ATOM 1197 CB ARG A 74 15.669 -5.436 1.541 1.00 36.91 C ATOM 1198 CG ARG A 74 15.910 -6.933 1.334 1.00 38.62 C ATOM 1199 CD ARG A 74 14.906 -7.538 0.351 1.00 39.75 C ATOM 1200 NE ARG A 74 15.471 -8.796 -0.215 1.00 41.13 N ATOM 1201 CZ ARG A 74 15.081 -9.467 -1.338 1.00 41.91 C ATOM 1202 NH1 ARG A 74 14.047 -9.009 -2.102 1.00 42.75 N ATOM 1203 NH2 ARG A 74 15.929 -10.357 -1.930 1.00 41.93 N ATOM 0 H ARG A 74 16.453 -2.795 1.806 1.00 33.82 H new ATOM 0 HA ARG A 74 16.440 -5.257 3.482 1.00 35.33 H new ATOM 0 HB2 ARG A 74 14.637 -5.300 1.865 1.00 36.91 H new ATOM 0 HB3 ARG A 74 15.768 -4.940 0.576 1.00 36.91 H new ATOM 0 HG2 ARG A 74 16.923 -7.090 0.963 1.00 38.62 H new ATOM 0 HG3 ARG A 74 15.838 -7.449 2.291 1.00 38.62 H new ATOM 0 HD2 ARG A 74 13.963 -7.744 0.857 1.00 39.75 H new ATOM 0 HD3 ARG A 74 14.690 -6.830 -0.449 1.00 39.75 H new ATOM 0 HE ARG A 74 16.248 -9.208 0.303 1.00 41.13 H new ATOM 0 HH11 ARG A 74 13.555 -8.156 -1.836 1.00 42.75 H new ATOM 0 HH12 ARG A 74 13.766 -9.520 -2.939 1.00 42.75 H new ATOM 0 HH21 ARG A 74 16.854 -10.521 -1.533 1.00 41.93 H new ATOM 0 HH22 ARG A 74 15.638 -10.858 -2.769 1.00 41.93 H new ATOM 1217 N GLY A 75 18.833 -5.508 2.955 1.00 36.31 N ATOM 1218 CA GLY A 75 20.212 -5.645 2.606 1.00 36.07 C ATOM 1219 C GLY A 75 20.392 -6.696 1.565 1.00 36.16 C ATOM 1220 O GLY A 75 21.324 -6.620 0.765 1.00 36.26 O ATOM 0 H GLY A 75 18.539 -6.011 3.792 1.00 36.31 H new ATOM 0 HA2 GLY A 75 20.595 -4.693 2.238 1.00 36.07 H new ATOM 0 HA3 GLY A 75 20.792 -5.901 3.492 1.00 36.07 H new ATOM 1224 N GLY A 76 19.618 -7.777 1.763 1.00 36.05 N ATOM 1225 CA GLY A 76 19.701 -8.981 0.996 1.00 36.19 C ATOM 1226 C GLY A 76 18.295 -9.462 0.667 1.00 36.20 C ATOM 1227 O GLY A 76 18.035 -9.741 -0.534 1.00 36.13 O ATOM 1228 OXT GLY A 76 17.439 -9.561 1.587 1.00 36.27 O ATOM 0 H GLY A 76 18.903 -7.814 2.489 1.00 36.05 H new ATOM 0 HA2 GLY A 76 20.262 -8.804 0.078 1.00 36.19 H new ATOM 0 HA3 GLY A 76 20.239 -9.747 1.555 1.00 36.19 H new TER 1232 GLY A 76