USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 6 LYS NZ :NH3+ 141:sc= 0.731 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 180:sc= 0.664 USER MOD Single : A 1 MET CE :methyl -142:sc= -0.014 (180deg=-0.835) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.39 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.623 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 0.879 (180deg=-0.22) USER MOD Single : A 14 THR OG1 : rot -77:sc= 0.00254 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00656 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00403 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 2.25 (180deg=2.07) USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= 1.05 (180deg=-0.119) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0365 X(o=-0.036,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.474 K(o=0.47,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 55 THR OG1 : rot -83:sc= 1.17 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.565 USER MOD Single : A 60 ASN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -146:sc=-0.00765 (180deg=-0.155) USER MOD Single : A 65 SER OG : rot 95:sc= 0.727 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.307 -6.833 -4.960 1.00 9.67 N ATOM 2 CA MET A 1 11.485 -6.762 -3.496 1.00 10.38 C ATOM 3 C MET A 1 10.159 -7.200 -2.943 1.00 9.62 C ATOM 4 O MET A 1 9.107 -6.850 -3.521 1.00 9.62 O ATOM 5 CB MET A 1 11.906 -5.331 -3.061 1.00 13.77 C ATOM 6 CG MET A 1 12.175 -5.077 -1.565 1.00 16.29 C ATOM 7 SD MET A 1 12.323 -3.295 -1.185 1.00 17.17 S ATOM 8 CE MET A 1 10.568 -3.015 -1.016 1.00 16.11 C ATOM 0 H1 MET A 1 12.237 -6.914 -5.419 1.00 9.67 H new ATOM 0 H2 MET A 1 10.729 -7.664 -5.200 1.00 9.67 H new ATOM 0 H3 MET A 1 10.830 -5.971 -5.294 1.00 9.67 H new ATOM 0 HA MET A 1 12.286 -7.398 -3.120 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.809 -5.067 -3.612 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.125 -4.642 -3.381 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.367 -5.507 -0.974 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.092 -5.587 -1.270 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.313 -2.042 -1.437 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.022 -3.795 -1.547 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.296 -3.037 0.039 1.00 16.11 H new ATOM 20 N GLN A 2 10.193 -7.954 -1.841 1.00 9.27 N ATOM 21 CA GLN A 2 9.040 -8.473 -1.181 1.00 9.07 C ATOM 22 C GLN A 2 8.598 -7.614 -0.038 1.00 8.72 C ATOM 23 O GLN A 2 9.399 -7.259 0.791 1.00 8.22 O ATOM 24 CB GLN A 2 9.302 -9.927 -0.680 1.00 14.46 C ATOM 25 CG GLN A 2 8.227 -10.475 0.248 1.00 17.01 C ATOM 26 CD GLN A 2 8.370 -12.001 0.266 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.842 -12.673 1.225 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.991 -12.591 -0.885 1.00 19.49 N ATOM 0 H GLN A 2 11.066 -8.217 -1.384 1.00 9.27 H new ATOM 0 HA GLN A 2 8.235 -8.480 -1.916 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.390 -10.586 -1.544 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.260 -9.953 -0.161 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.343 -10.067 1.252 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.235 -10.187 -0.101 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.612 -12.028 -1.646 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.083 -13.601 -0.995 1.00 19.49 H new ATOM 37 N ILE A 3 7.305 -7.347 0.068 1.00 5.87 N ATOM 38 CA ILE A 3 6.686 -6.689 1.204 1.00 5.07 C ATOM 39 C ILE A 3 5.344 -7.368 1.470 1.00 4.01 C ATOM 40 O ILE A 3 4.901 -8.249 0.765 1.00 4.61 O ATOM 41 CB ILE A 3 6.466 -5.176 0.959 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.613 -4.959 -0.294 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.779 -4.312 0.985 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.821 -3.638 -0.208 1.00 10.83 C ATOM 0 H ILE A 3 6.636 -7.592 -0.662 1.00 5.87 H new ATOM 0 HA ILE A 3 7.352 -6.778 2.063 1.00 5.07 H new ATOM 0 HB ILE A 3 5.907 -4.796 1.814 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.254 -4.945 -1.175 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.922 -5.793 -0.416 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.530 -3.266 0.804 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.258 -4.408 1.959 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.460 -4.662 0.209 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.225 -3.512 -1.112 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.163 -3.664 0.660 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.515 -2.803 -0.112 1.00 10.83 H new ATOM 56 N PHE A 4 4.700 -6.947 2.612 1.00 4.55 N ATOM 57 CA PHE A 4 3.474 -7.577 3.045 1.00 4.68 C ATOM 58 C PHE A 4 2.462 -6.465 3.087 1.00 5.30 C ATOM 59 O PHE A 4 2.757 -5.382 3.585 1.00 5.58 O ATOM 60 CB PHE A 4 3.657 -8.356 4.482 1.00 4.83 C ATOM 61 CG PHE A 4 4.704 -9.413 4.352 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.590 -10.457 3.455 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.860 -9.372 5.169 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.632 -11.456 3.350 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.872 -10.337 5.088 1.00 10.61 C ATOM 66 CZ PHE A 4 6.753 -11.463 4.236 1.00 8.90 C ATOM 0 H PHE A 4 5.027 -6.190 3.212 1.00 4.55 H new ATOM 0 HA PHE A 4 3.151 -8.367 2.367 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.939 -7.645 5.259 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.711 -8.803 4.787 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.715 -10.529 2.826 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.965 -8.567 5.881 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.561 -12.214 2.584 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.762 -10.220 5.688 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.465 -12.275 4.255 1.00 8.90 H new ATOM 76 N VAL A 5 1.177 -6.783 2.709 1.00 4.44 N ATOM 77 CA VAL A 5 0.055 -5.899 3.005 1.00 3.87 C ATOM 78 C VAL A 5 -0.877 -6.698 3.956 1.00 4.93 C ATOM 79 O VAL A 5 -1.114 -7.890 3.727 1.00 6.84 O ATOM 80 CB VAL A 5 -0.668 -5.307 1.818 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.823 -4.444 2.254 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.286 -4.385 1.065 1.00 9.13 C ATOM 0 H VAL A 5 0.923 -7.635 2.209 1.00 4.44 H new ATOM 0 HA VAL A 5 0.440 -4.993 3.473 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.023 -6.135 1.205 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.322 -4.033 1.376 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.530 -5.045 2.826 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.454 -3.629 2.876 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.228 -3.953 0.206 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.619 -3.586 1.728 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.149 -4.956 0.722 1.00 9.13 H new ATOM 92 N LYS A 6 -1.403 -6.004 5.010 1.00 6.04 N ATOM 93 CA LYS A 6 -2.274 -6.601 6.000 1.00 6.12 C ATOM 94 C LYS A 6 -3.515 -5.782 6.212 1.00 6.57 C ATOM 95 O LYS A 6 -3.366 -4.604 6.639 1.00 5.76 O ATOM 96 CB LYS A 6 -1.479 -6.688 7.341 1.00 7.45 C ATOM 97 CG LYS A 6 -2.140 -7.539 8.351 1.00 11.12 C ATOM 98 CD LYS A 6 -2.021 -9.049 8.098 1.00 14.54 C ATOM 99 CE LYS A 6 -2.113 -9.885 9.352 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.446 -11.320 9.047 1.00 20.55 N ATOM 0 H LYS A 6 -1.218 -5.014 5.173 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.585 -7.587 5.655 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.482 -7.080 7.141 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.352 -5.684 7.747 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.715 -7.314 9.329 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.196 -7.274 8.394 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.808 -9.356 7.409 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.070 -9.252 7.606 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.166 -9.839 9.889 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.874 -9.468 10.011 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.904 -11.944 9.678 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.463 -11.479 9.194 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.202 -11.530 8.058 1.00 20.55 H new ATOM 114 N THR A 7 -4.716 -6.323 5.858 1.00 7.41 N ATOM 115 CA THR A 7 -5.999 -5.545 5.930 1.00 7.48 C ATOM 116 C THR A 7 -6.555 -5.448 7.376 1.00 8.75 C ATOM 117 O THR A 7 -6.164 -6.225 8.278 1.00 8.58 O ATOM 118 CB THR A 7 -7.005 -6.057 5.022 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.665 -7.246 5.472 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.490 -6.339 3.625 1.00 9.17 C ATOM 0 H THR A 7 -4.828 -7.280 5.524 1.00 7.41 H new ATOM 0 HA THR A 7 -5.751 -4.533 5.609 1.00 7.48 H new ATOM 0 HB THR A 7 -7.718 -5.233 4.998 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.328 -7.524 4.806 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.304 -6.719 3.007 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.102 -5.419 3.188 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.694 -7.082 3.674 1.00 9.17 H new ATOM 128 N LEU A 8 -7.497 -4.523 7.674 1.00 9.84 N ATOM 129 CA LEU A 8 -8.239 -4.408 8.876 1.00 14.15 C ATOM 130 C LEU A 8 -9.040 -5.673 9.304 1.00 17.37 C ATOM 131 O LEU A 8 -8.980 -6.080 10.473 1.00 17.01 O ATOM 132 CB LEU A 8 -9.176 -3.188 8.977 1.00 16.63 C ATOM 133 CG LEU A 8 -9.896 -2.897 10.310 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.927 -2.771 11.509 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.614 -1.507 10.237 1.00 18.59 C ATOM 0 H LEU A 8 -7.751 -3.797 7.004 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.415 -4.267 9.575 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.592 -2.304 8.721 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.941 -3.298 8.209 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.578 -3.735 10.456 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.495 -2.566 12.416 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.374 -3.703 11.630 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.228 -1.955 11.327 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.120 -1.309 11.182 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.877 -0.726 10.049 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.345 -1.517 9.429 1.00 18.59 H new ATOM 147 N THR A 9 -9.802 -6.321 8.382 1.00 18.33 N ATOM 148 CA THR A 9 -10.456 -7.557 8.625 1.00 19.24 C ATOM 149 C THR A 9 -9.597 -8.771 8.317 1.00 19.48 C ATOM 150 O THR A 9 -10.098 -9.884 8.246 1.00 23.14 O ATOM 151 CB THR A 9 -11.867 -7.677 7.936 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.846 -7.284 6.546 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.736 -6.622 8.588 1.00 19.70 C ATOM 0 H THR A 9 -9.958 -5.959 7.441 1.00 18.33 H new ATOM 0 HA THR A 9 -10.629 -7.551 9.701 1.00 19.24 H new ATOM 0 HB THR A 9 -12.200 -8.711 8.029 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.744 -7.379 6.166 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.735 -6.653 8.152 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.801 -6.815 9.659 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.298 -5.637 8.423 1.00 19.70 H new ATOM 161 N GLY A 10 -8.255 -8.639 8.290 1.00 19.43 N ATOM 162 CA GLY A 10 -7.301 -9.691 8.451 1.00 18.74 C ATOM 163 C GLY A 10 -6.977 -10.571 7.269 1.00 17.62 C ATOM 164 O GLY A 10 -6.782 -11.738 7.480 1.00 19.74 O ATOM 0 H GLY A 10 -7.810 -7.733 8.145 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.369 -9.241 8.791 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.655 -10.337 9.255 1.00 18.74 H new ATOM 168 N LYS A 11 -6.833 -10.025 6.063 1.00 13.56 N ATOM 169 CA LYS A 11 -6.288 -10.723 4.881 1.00 11.91 C ATOM 170 C LYS A 11 -4.821 -10.252 4.575 1.00 10.18 C ATOM 171 O LYS A 11 -4.598 -9.072 4.460 1.00 9.10 O ATOM 172 CB LYS A 11 -7.242 -10.463 3.632 1.00 13.43 C ATOM 173 CG LYS A 11 -6.789 -11.103 2.327 1.00 16.69 C ATOM 174 CD LYS A 11 -6.623 -12.574 2.243 1.00 17.92 C ATOM 175 CE LYS A 11 -6.390 -13.063 0.835 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.538 -12.617 -0.043 1.00 21.93 N ATOM 0 H LYS A 11 -7.097 -9.059 5.867 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.249 -11.793 5.085 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.239 -10.833 3.873 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.330 -9.387 3.480 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.505 -10.813 1.558 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.833 -10.653 2.059 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.784 -12.875 2.870 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.512 -13.058 2.647 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.449 -12.669 0.452 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.309 -14.150 0.824 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.572 -13.209 -0.897 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.432 -12.712 0.480 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.401 -11.623 -0.316 1.00 21.93 H new ATOM 190 N THR A 12 -3.880 -11.208 4.476 1.00 9.63 N ATOM 191 CA THR A 12 -2.493 -10.911 4.146 1.00 9.85 C ATOM 192 C THR A 12 -2.215 -11.063 2.757 1.00 11.66 C ATOM 193 O THR A 12 -2.439 -12.100 2.193 1.00 12.33 O ATOM 194 CB THR A 12 -1.511 -11.826 4.829 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.723 -11.821 6.215 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.066 -11.384 4.644 1.00 9.63 C ATOM 0 H THR A 12 -4.068 -12.200 4.623 1.00 9.63 H new ATOM 0 HA THR A 12 -2.375 -9.879 4.477 1.00 9.85 H new ATOM 0 HB THR A 12 -1.670 -12.806 4.379 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.079 -12.421 6.647 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.596 -12.081 5.158 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.177 -11.369 3.581 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.065 -10.385 5.060 1.00 9.63 H new ATOM 204 N ILE A 13 -1.667 -10.005 2.116 1.00 10.42 N ATOM 205 CA ILE A 13 -1.288 -10.064 0.774 1.00 11.84 C ATOM 206 C ILE A 13 0.238 -9.999 0.701 1.00 10.55 C ATOM 207 O ILE A 13 0.737 -8.957 1.065 1.00 11.92 O ATOM 208 CB ILE A 13 -1.885 -8.948 -0.115 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.392 -8.639 0.065 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.495 -9.233 -1.535 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.332 -9.784 -0.116 1.00 16.46 C ATOM 0 H ILE A 13 -1.494 -9.103 2.559 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.683 -11.000 0.380 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.453 -8.006 0.223 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.540 -8.231 1.065 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.667 -7.857 -0.642 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.903 -8.460 -2.187 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.408 -9.242 -1.619 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.890 -10.204 -1.833 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.356 -9.442 0.035 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.228 -10.184 -1.125 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.099 -10.564 0.609 1.00 16.46 H new ATOM 223 N THR A 14 0.923 -11.048 0.246 1.00 9.39 N ATOM 224 CA THR A 14 2.376 -10.894 0.020 1.00 9.63 C ATOM 225 C THR A 14 2.468 -10.307 -1.344 1.00 11.20 C ATOM 226 O THR A 14 1.769 -10.803 -2.246 1.00 11.63 O ATOM 227 CB THR A 14 3.086 -12.240 -0.065 1.00 10.38 C ATOM 228 OG1 THR A 14 3.068 -12.996 1.166 1.00 16.30 O ATOM 229 CG2 THR A 14 4.610 -12.104 -0.260 1.00 11.66 C ATOM 0 H THR A 14 0.533 -11.966 0.034 1.00 9.39 H new ATOM 0 HA THR A 14 2.823 -10.312 0.826 1.00 9.63 H new ATOM 0 HB THR A 14 2.549 -12.712 -0.888 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.734 -12.629 1.785 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.060 -13.095 -0.313 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.812 -11.564 -1.185 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.037 -11.557 0.580 1.00 11.66 H new ATOM 237 N LEU A 15 3.255 -9.184 -1.525 1.00 8.29 N ATOM 238 CA LEU A 15 3.419 -8.434 -2.767 1.00 9.03 C ATOM 239 C LEU A 15 4.866 -8.385 -3.215 1.00 8.59 C ATOM 240 O LEU A 15 5.776 -8.319 -2.396 1.00 7.79 O ATOM 241 CB LEU A 15 2.977 -6.951 -2.647 1.00 11.08 C ATOM 242 CG LEU A 15 1.437 -6.856 -2.533 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.036 -5.425 -2.259 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.761 -7.492 -3.830 1.00 15.27 C ATOM 0 H LEU A 15 3.801 -8.787 -0.760 1.00 8.29 H new ATOM 0 HA LEU A 15 2.791 -8.968 -3.480 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.442 -6.496 -1.772 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.319 -6.391 -3.517 1.00 11.08 H new ATOM 0 HG LEU A 15 1.070 -7.439 -1.688 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.049 -5.360 -2.179 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.489 -5.093 -1.325 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.378 -4.789 -3.075 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.324 -7.423 -3.746 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.091 -6.949 -4.716 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.053 -8.539 -3.916 1.00 15.27 H new ATOM 256 N GLU A 16 5.151 -8.473 -4.493 1.00 11.04 N ATOM 257 CA GLU A 16 6.462 -8.327 -5.110 1.00 11.50 C ATOM 258 C GLU A 16 6.518 -6.957 -5.826 1.00 10.13 C ATOM 259 O GLU A 16 5.804 -6.826 -6.830 1.00 9.83 O ATOM 260 CB GLU A 16 6.894 -9.428 -6.091 1.00 17.22 C ATOM 261 CG GLU A 16 8.310 -9.312 -6.597 1.00 23.33 C ATOM 262 CD GLU A 16 9.384 -9.707 -5.557 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.023 -10.495 -4.625 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.586 -9.289 -5.700 1.00 28.90 O ATOM 0 H GLU A 16 4.425 -8.662 -5.184 1.00 11.04 H new ATOM 0 HA GLU A 16 7.171 -8.411 -4.286 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.777 -10.395 -5.602 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.217 -9.418 -6.945 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.423 -9.943 -7.478 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.488 -8.285 -6.916 1.00 23.33 H new ATOM 271 N VAL A 17 7.295 -6.014 -5.298 1.00 8.99 N ATOM 272 CA VAL A 17 7.323 -4.632 -5.816 1.00 8.85 C ATOM 273 C VAL A 17 8.768 -4.151 -5.992 1.00 8.04 C ATOM 274 O VAL A 17 9.679 -4.851 -5.547 1.00 8.99 O ATOM 275 CB VAL A 17 6.636 -3.742 -4.792 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.257 -4.244 -4.503 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.378 -3.600 -3.454 1.00 10.54 C ATOM 0 H VAL A 17 7.919 -6.175 -4.508 1.00 8.99 H new ATOM 0 HA VAL A 17 6.821 -4.592 -6.783 1.00 8.85 H new ATOM 0 HB VAL A 17 6.621 -2.756 -5.257 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.780 -3.595 -3.768 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.670 -4.245 -5.422 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.314 -5.258 -4.108 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.811 -2.947 -2.791 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.486 -4.581 -2.992 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.364 -3.171 -3.629 1.00 10.54 H new ATOM 287 N GLU A 18 9.032 -3.097 -6.750 1.00 7.29 N ATOM 288 CA GLU A 18 10.396 -2.619 -6.905 1.00 7.08 C ATOM 289 C GLU A 18 10.595 -1.449 -5.977 1.00 6.45 C ATOM 290 O GLU A 18 9.616 -0.759 -5.802 1.00 5.28 O ATOM 291 CB GLU A 18 10.804 -2.103 -8.263 1.00 10.28 C ATOM 292 CG GLU A 18 10.621 -3.131 -9.427 1.00 12.65 C ATOM 293 CD GLU A 18 11.820 -3.819 -9.992 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.467 -3.237 -10.927 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.147 -4.925 -9.506 1.00 18.17 O ATOM 0 H GLU A 18 8.329 -2.563 -7.261 1.00 7.29 H new ATOM 0 HA GLU A 18 10.998 -3.506 -6.706 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.222 -1.210 -8.489 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.850 -1.800 -8.224 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.935 -3.903 -9.077 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.125 -2.612 -10.247 1.00 12.65 H new ATOM 302 N PRO A 19 11.808 -1.073 -5.427 1.00 7.24 N ATOM 303 CA PRO A 19 12.072 0.186 -4.755 1.00 7.07 C ATOM 304 C PRO A 19 11.513 1.410 -5.482 1.00 6.65 C ATOM 305 O PRO A 19 10.975 2.360 -4.902 1.00 6.37 O ATOM 306 CB PRO A 19 13.562 0.152 -4.399 1.00 7.61 C ATOM 307 CG PRO A 19 14.014 -1.238 -4.689 1.00 8.16 C ATOM 308 CD PRO A 19 13.083 -1.806 -5.677 1.00 7.49 C ATOM 0 HA PRO A 19 11.513 0.304 -3.827 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.122 0.877 -4.989 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.720 0.404 -3.350 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.032 -1.237 -5.077 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.020 -1.837 -3.779 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.439 -1.653 -6.696 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.960 -2.880 -5.540 1.00 7.49 H new ATOM 316 N SER A 20 11.682 1.350 -6.821 1.00 6.80 N ATOM 317 CA SER A 20 11.432 2.384 -7.779 1.00 6.28 C ATOM 318 C SER A 20 10.017 2.388 -8.311 1.00 8.45 C ATOM 319 O SER A 20 9.680 3.175 -9.202 1.00 7.26 O ATOM 320 CB SER A 20 12.311 2.209 -9.024 1.00 8.57 C ATOM 321 OG SER A 20 12.273 0.856 -9.570 1.00 11.13 O ATOM 0 H SER A 20 12.024 0.499 -7.268 1.00 6.80 H new ATOM 0 HA SER A 20 11.640 3.304 -7.233 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.987 2.912 -9.791 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.341 2.463 -8.772 1.00 8.57 H new ATOM 0 HG SER A 20 12.849 0.806 -10.361 1.00 11.13 H new ATOM 327 N ASP A 21 9.131 1.559 -7.764 1.00 7.50 N ATOM 328 CA ASP A 21 7.696 1.632 -8.168 1.00 7.70 C ATOM 329 C ASP A 21 7.072 2.620 -7.182 1.00 7.08 C ATOM 330 O ASP A 21 7.306 2.736 -5.978 1.00 8.11 O ATOM 331 CB ASP A 21 7.010 0.212 -7.928 1.00 11.00 C ATOM 332 CG ASP A 21 7.429 -0.781 -9.034 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.918 -0.359 -10.115 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.142 -1.981 -8.823 1.00 14.36 O ATOM 0 H ASP A 21 9.351 0.849 -7.065 1.00 7.50 H new ATOM 0 HA ASP A 21 7.575 1.919 -9.213 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.298 -0.178 -6.952 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.926 0.321 -7.920 1.00 11.00 H new ATOM 339 N THR A 22 6.174 3.443 -7.722 1.00 5.37 N ATOM 340 CA THR A 22 5.239 4.344 -7.097 1.00 6.01 C ATOM 341 C THR A 22 4.343 3.606 -6.127 1.00 8.01 C ATOM 342 O THR A 22 4.020 2.446 -6.369 1.00 8.11 O ATOM 343 CB THR A 22 4.458 5.372 -8.003 1.00 8.92 C ATOM 344 OG1 THR A 22 3.768 4.692 -9.027 1.00 10.22 O ATOM 345 CG2 THR A 22 5.462 6.392 -8.526 1.00 9.65 C ATOM 0 H THR A 22 6.084 3.490 -8.737 1.00 5.37 H new ATOM 0 HA THR A 22 5.890 5.028 -6.553 1.00 6.01 H new ATOM 0 HB THR A 22 3.696 5.905 -7.435 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.285 5.340 -9.582 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.949 7.117 -9.157 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.928 6.907 -7.686 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.229 5.882 -9.109 1.00 9.65 H new ATOM 353 N ILE A 23 3.833 4.375 -5.083 1.00 8.32 N ATOM 354 CA ILE A 23 2.738 3.889 -4.251 1.00 9.92 C ATOM 355 C ILE A 23 1.493 3.599 -5.042 1.00 10.01 C ATOM 356 O ILE A 23 0.836 2.600 -4.788 1.00 8.71 O ATOM 357 CB ILE A 23 2.402 4.910 -3.148 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.623 5.165 -2.205 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.217 4.342 -2.268 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.240 3.942 -1.608 1.00 12.30 C ATOM 0 H ILE A 23 4.177 5.302 -4.833 1.00 8.32 H new ATOM 0 HA ILE A 23 3.082 2.954 -3.808 1.00 9.92 H new ATOM 0 HB ILE A 23 2.129 5.848 -3.632 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.389 5.700 -2.767 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.304 5.822 -1.396 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.971 5.058 -1.483 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.342 4.179 -2.897 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.520 3.398 -1.816 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.077 4.230 -0.972 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.496 3.413 -1.012 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.598 3.289 -2.404 1.00 12.30 H new ATOM 372 N GLU A 24 1.165 4.496 -6.003 1.00 9.54 N ATOM 373 CA GLU A 24 0.157 4.186 -6.986 1.00 11.81 C ATOM 374 C GLU A 24 0.202 2.880 -7.791 1.00 11.14 C ATOM 375 O GLU A 24 -0.826 2.262 -8.005 1.00 10.62 O ATOM 376 CB GLU A 24 0.118 5.405 -7.925 1.00 19.24 C ATOM 377 CG GLU A 24 -1.203 5.464 -8.643 1.00 27.76 C ATOM 378 CD GLU A 24 -1.326 6.742 -9.382 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.277 7.456 -9.530 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.457 7.126 -9.852 1.00 34.80 O ATOM 0 H GLU A 24 1.588 5.419 -6.099 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.744 3.986 -6.406 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.270 6.320 -7.352 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.931 5.343 -8.648 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.287 4.626 -9.335 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.019 5.369 -7.927 1.00 27.76 H new ATOM 387 N ASN A 25 1.404 2.535 -8.223 1.00 9.43 N ATOM 388 CA ASN A 25 1.618 1.234 -8.861 1.00 10.96 C ATOM 389 C ASN A 25 1.331 0.065 -7.902 1.00 9.68 C ATOM 390 O ASN A 25 0.844 -0.946 -8.374 1.00 9.33 O ATOM 391 CB ASN A 25 3.071 1.090 -9.489 1.00 16.78 C ATOM 392 CG ASN A 25 3.285 -0.103 -10.401 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.916 -1.146 -10.158 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.688 -0.028 -11.647 1.00 24.70 N ATOM 0 H ASN A 25 2.236 3.121 -8.149 1.00 9.43 H new ATOM 0 HA ASN A 25 0.900 1.187 -9.680 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.294 1.997 -10.051 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.793 1.034 -8.675 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.780 -0.803 -12.304 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.155 0.802 -11.908 1.00 24.70 H new ATOM 401 N VAL A 26 1.635 0.197 -6.612 1.00 6.52 N ATOM 402 CA VAL A 26 1.373 -0.803 -5.589 1.00 5.53 C ATOM 403 C VAL A 26 -0.103 -0.983 -5.405 1.00 4.42 C ATOM 404 O VAL A 26 -0.717 -2.045 -5.457 1.00 3.40 O ATOM 405 CB VAL A 26 2.082 -0.499 -4.262 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.901 -1.654 -3.226 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.604 -0.329 -4.600 1.00 8.12 C ATOM 0 H VAL A 26 2.086 1.034 -6.242 1.00 6.52 H new ATOM 0 HA VAL A 26 1.795 -1.745 -5.938 1.00 5.53 H new ATOM 0 HB VAL A 26 1.657 0.398 -3.811 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.418 -1.398 -2.301 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.840 -1.796 -3.021 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.318 -2.576 -3.632 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.157 -0.110 -3.687 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.984 -1.250 -5.042 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.730 0.492 -5.306 1.00 8.12 H new ATOM 417 N LYS A 27 -0.856 0.163 -5.405 1.00 2.64 N ATOM 418 CA LYS A 27 -2.271 0.149 -5.206 1.00 4.14 C ATOM 419 C LYS A 27 -2.963 -0.498 -6.422 1.00 5.58 C ATOM 420 O LYS A 27 -3.977 -1.113 -6.182 1.00 4.11 O ATOM 421 CB LYS A 27 -2.777 1.529 -4.921 1.00 3.97 C ATOM 422 CG LYS A 27 -2.324 2.170 -3.643 1.00 7.45 C ATOM 423 CD LYS A 27 -3.068 3.456 -3.479 1.00 9.02 C ATOM 424 CE LYS A 27 -3.122 4.040 -2.110 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.117 5.162 -2.163 1.00 15.47 N ATOM 0 H LYS A 27 -0.465 1.095 -5.545 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.512 -0.457 -4.333 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.482 2.175 -5.747 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.866 1.496 -4.916 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.515 1.509 -2.797 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.250 2.352 -3.669 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.619 4.194 -4.144 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.091 3.301 -3.821 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.423 3.289 -1.380 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.141 4.406 -1.805 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.408 5.414 -1.197 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.684 5.989 -2.621 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.950 4.862 -2.708 1.00 15.47 H new ATOM 439 N ALA A 28 -2.410 -0.397 -7.644 1.00 6.61 N ATOM 440 CA ALA A 28 -2.910 -1.012 -8.840 1.00 7.74 C ATOM 441 C ALA A 28 -2.832 -2.533 -8.722 1.00 9.17 C ATOM 442 O ALA A 28 -3.663 -3.326 -9.120 1.00 11.45 O ATOM 443 CB ALA A 28 -2.156 -0.441 -10.074 1.00 7.68 C ATOM 0 H ALA A 28 -1.563 0.146 -7.809 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.964 -0.774 -8.980 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.537 -0.909 -10.982 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.311 0.636 -10.129 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.090 -0.650 -9.978 1.00 7.68 H new ATOM 449 N LYS A 29 -1.705 -2.999 -8.103 1.00 8.96 N ATOM 450 CA LYS A 29 -1.418 -4.356 -7.696 1.00 7.90 C ATOM 451 C LYS A 29 -2.430 -4.884 -6.648 1.00 6.92 C ATOM 452 O LYS A 29 -2.967 -5.967 -6.768 1.00 6.87 O ATOM 453 CB LYS A 29 0.052 -4.433 -7.326 1.00 10.28 C ATOM 454 CG LYS A 29 0.669 -5.901 -7.360 1.00 14.94 C ATOM 455 CD LYS A 29 2.187 -5.860 -7.415 1.00 19.69 C ATOM 456 CE LYS A 29 2.711 -5.694 -8.835 1.00 22.63 C ATOM 457 NZ LYS A 29 4.160 -5.910 -8.904 1.00 24.98 N ATOM 0 H LYS A 29 -0.937 -2.369 -7.872 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.568 -5.059 -8.516 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.618 -3.799 -8.008 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.183 -4.021 -6.325 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.350 -6.453 -6.476 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.286 -6.439 -8.227 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.548 -5.037 -6.799 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.589 -6.779 -6.987 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.206 -6.399 -9.495 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.474 -4.693 -9.196 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.633 -5.015 -9.144 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.505 -6.248 -7.983 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.371 -6.620 -9.634 1.00 24.98 H new ATOM 471 N ILE A 30 -2.804 -4.037 -5.684 1.00 4.57 N ATOM 472 CA ILE A 30 -3.787 -4.368 -4.656 1.00 5.58 C ATOM 473 C ILE A 30 -5.152 -4.352 -5.299 1.00 7.26 C ATOM 474 O ILE A 30 -6.014 -5.151 -4.924 1.00 9.46 O ATOM 475 CB ILE A 30 -3.809 -3.417 -3.474 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.461 -3.525 -2.767 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.992 -3.834 -2.522 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.221 -2.466 -1.685 1.00 2.00 C ATOM 0 H ILE A 30 -2.427 -3.093 -5.597 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.509 -5.344 -4.259 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.966 -2.384 -3.784 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.381 -4.513 -2.314 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.668 -3.451 -3.511 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.024 -3.161 -1.665 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.935 -3.774 -3.066 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.837 -4.856 -2.175 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.239 -2.620 -1.237 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.264 -1.473 -2.132 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.989 -2.551 -0.916 1.00 2.00 H new ATOM 490 N GLN A 31 -5.432 -3.538 -6.348 1.00 7.06 N ATOM 491 CA GLN A 31 -6.673 -3.622 -7.113 1.00 8.67 C ATOM 492 C GLN A 31 -6.848 -4.933 -7.838 1.00 10.90 C ATOM 493 O GLN A 31 -7.888 -5.579 -7.728 1.00 9.63 O ATOM 494 CB GLN A 31 -6.774 -2.375 -8.038 1.00 9.12 C ATOM 495 CG GLN A 31 -8.183 -2.302 -8.766 1.00 10.76 C ATOM 496 CD GLN A 31 -8.213 -1.068 -9.662 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.210 -0.573 -10.183 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.452 -0.563 -9.812 1.00 14.76 N ATOM 0 H GLN A 31 -4.796 -2.811 -6.676 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.514 -3.609 -6.420 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.620 -1.471 -7.449 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.980 -2.409 -8.784 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.348 -3.202 -9.358 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.985 -2.253 -8.030 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.245 -1.015 -9.357 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.597 0.271 -10.381 1.00 14.76 H new ATOM 507 N ASP A 32 -5.800 -5.374 -8.510 1.00 10.93 N ATOM 508 CA ASP A 32 -5.714 -6.775 -9.066 1.00 14.01 C ATOM 509 C ASP A 32 -5.921 -7.909 -8.034 1.00 14.04 C ATOM 510 O ASP A 32 -6.616 -8.877 -8.218 1.00 13.39 O ATOM 511 CB ASP A 32 -4.380 -6.814 -9.772 1.00 18.01 C ATOM 512 CG ASP A 32 -4.278 -7.997 -10.676 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.281 -8.279 -11.392 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.218 -8.584 -10.829 1.00 25.17 O ATOM 0 H ASP A 32 -4.977 -4.803 -8.701 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.542 -6.977 -9.745 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.245 -5.900 -10.350 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.577 -6.847 -9.035 1.00 18.01 H new ATOM 519 N LYS A 33 -5.226 -7.805 -6.851 1.00 14.22 N ATOM 520 CA LYS A 33 -5.205 -8.929 -5.918 1.00 14.00 C ATOM 521 C LYS A 33 -6.566 -9.046 -5.166 1.00 12.37 C ATOM 522 O LYS A 33 -7.026 -10.102 -4.740 1.00 12.17 O ATOM 523 CB LYS A 33 -4.190 -8.730 -4.770 1.00 18.62 C ATOM 524 CG LYS A 33 -2.758 -9.022 -5.190 1.00 24.00 C ATOM 525 CD LYS A 33 -2.438 -10.542 -4.857 1.00 27.61 C ATOM 526 CE LYS A 33 -1.137 -11.087 -5.434 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.076 -12.606 -5.461 1.00 30.06 N ATOM 0 H LYS A 33 -4.702 -6.982 -6.553 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.963 -9.794 -6.535 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.255 -7.704 -4.408 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.459 -9.380 -3.937 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.629 -8.832 -6.256 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.067 -8.365 -4.663 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.410 -10.659 -3.774 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.261 -11.156 -5.223 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.011 -10.708 -6.448 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.301 -10.708 -4.846 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.167 -12.910 -5.864 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.166 -12.974 -4.493 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.854 -12.974 -6.045 1.00 30.06 H new ATOM 541 N GLU A 34 -7.127 -7.885 -4.866 1.00 10.11 N ATOM 542 CA GLU A 34 -8.244 -7.758 -3.912 1.00 10.07 C ATOM 543 C GLU A 34 -9.468 -6.999 -4.301 1.00 9.32 C ATOM 544 O GLU A 34 -10.432 -6.963 -3.588 1.00 11.61 O ATOM 545 CB GLU A 34 -7.828 -7.012 -2.647 1.00 14.77 C ATOM 546 CG GLU A 34 -7.225 -7.926 -1.562 1.00 18.75 C ATOM 547 CD GLU A 34 -8.077 -9.148 -1.159 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.210 -8.977 -0.656 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.555 -10.267 -1.253 1.00 25.19 O ATOM 0 H GLU A 34 -6.829 -6.998 -5.271 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.488 -8.816 -3.820 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.099 -6.245 -2.910 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.697 -6.498 -2.236 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.256 -8.283 -1.912 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.041 -7.326 -0.671 1.00 18.75 H new ATOM 556 N GLY A 35 -9.447 -6.343 -5.472 1.00 7.22 N ATOM 557 CA GLY A 35 -10.621 -5.684 -6.054 1.00 6.29 C ATOM 558 C GLY A 35 -10.844 -4.277 -5.560 1.00 6.93 C ATOM 559 O GLY A 35 -11.767 -3.699 -5.987 1.00 7.41 O ATOM 0 H GLY A 35 -8.607 -6.256 -6.044 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.513 -5.664 -7.138 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.506 -6.280 -5.833 1.00 6.29 H new ATOM 563 N ILE A 36 -10.054 -3.761 -4.644 1.00 5.86 N ATOM 564 CA ILE A 36 -10.278 -2.412 -4.055 1.00 6.07 C ATOM 565 C ILE A 36 -9.747 -1.226 -5.016 1.00 6.36 C ATOM 566 O ILE A 36 -8.570 -1.264 -5.314 1.00 6.18 O ATOM 567 CB ILE A 36 -9.617 -2.274 -2.662 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.867 -3.495 -1.756 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.145 -0.961 -2.068 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.978 -3.401 -0.465 1.00 9.49 C ATOM 0 H ILE A 36 -9.236 -4.243 -4.272 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.358 -2.313 -3.947 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.531 -2.244 -2.749 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.920 -3.542 -1.479 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.639 -4.413 -2.298 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.711 -0.808 -1.080 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.869 -0.131 -2.718 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.231 -1.010 -1.984 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.163 -4.269 0.168 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.926 -3.376 -0.749 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.227 -2.492 0.083 1.00 9.49 H new ATOM 582 N PRO A 37 -10.549 -0.254 -5.474 1.00 8.65 N ATOM 583 CA PRO A 37 -10.039 0.847 -6.255 1.00 9.18 C ATOM 584 C PRO A 37 -9.032 1.679 -5.472 1.00 9.85 C ATOM 585 O PRO A 37 -9.381 1.981 -4.339 1.00 8.51 O ATOM 586 CB PRO A 37 -11.239 1.700 -6.646 1.00 11.42 C ATOM 587 CG PRO A 37 -12.433 0.663 -6.634 1.00 9.27 C ATOM 588 CD PRO A 37 -12.034 -0.207 -5.460 1.00 8.33 C ATOM 0 HA PRO A 37 -9.512 0.470 -7.132 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.404 2.513 -5.939 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.109 2.154 -7.628 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.399 1.145 -6.483 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.501 0.098 -7.564 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.403 0.209 -4.522 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.457 -1.207 -5.553 1.00 8.33 H new ATOM 596 N PRO A 38 -7.849 2.103 -5.970 1.00 8.71 N ATOM 597 CA PRO A 38 -6.822 2.856 -5.254 1.00 9.08 C ATOM 598 C PRO A 38 -7.241 4.065 -4.354 1.00 9.28 C ATOM 599 O PRO A 38 -6.619 4.384 -3.360 1.00 6.50 O ATOM 600 CB PRO A 38 -5.832 3.214 -6.328 1.00 10.31 C ATOM 601 CG PRO A 38 -5.843 1.935 -7.153 1.00 10.81 C ATOM 602 CD PRO A 38 -7.349 1.590 -7.222 1.00 12.00 C ATOM 0 HA PRO A 38 -6.426 2.228 -4.456 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.144 4.083 -6.907 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.845 3.438 -5.924 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.417 2.089 -8.144 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.267 1.141 -6.678 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.834 2.063 -8.076 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.515 0.517 -7.315 1.00 12.00 H new ATOM 610 N ASP A 39 -8.347 4.734 -4.701 1.00 11.20 N ATOM 611 CA ASP A 39 -8.794 5.890 -3.955 1.00 14.96 C ATOM 612 C ASP A 39 -9.703 5.559 -2.691 1.00 13.99 C ATOM 613 O ASP A 39 -9.984 6.422 -1.843 1.00 13.75 O ATOM 614 CB ASP A 39 -9.612 6.720 -4.946 1.00 24.16 C ATOM 615 CG ASP A 39 -9.665 8.166 -4.488 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.560 8.633 -3.734 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.803 8.936 -4.981 1.00 35.55 O ATOM 0 H ASP A 39 -8.940 4.486 -5.493 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.920 6.400 -3.550 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.166 6.660 -5.939 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.622 6.317 -5.025 1.00 24.16 H new ATOM 622 N GLN A 40 -10.032 4.263 -2.650 1.00 11.60 N ATOM 623 CA GLN A 40 -10.590 3.633 -1.447 1.00 10.76 C ATOM 624 C GLN A 40 -9.521 3.027 -0.617 1.00 8.01 C ATOM 625 O GLN A 40 -9.805 2.534 0.491 1.00 8.96 O ATOM 626 CB GLN A 40 -11.648 2.526 -1.787 1.00 11.14 C ATOM 627 CG GLN A 40 -13.085 3.098 -2.149 1.00 14.85 C ATOM 628 CD GLN A 40 -13.905 1.894 -2.505 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.188 0.963 -1.783 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.420 1.982 -3.767 1.00 18.16 N ATOM 0 H GLN A 40 -9.921 3.627 -3.440 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.086 4.430 -0.893 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.282 1.933 -2.625 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.740 1.852 -0.936 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.519 3.636 -1.306 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.032 3.799 -2.982 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.174 2.771 -4.364 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.051 1.259 -4.112 1.00 18.16 H new ATOM 639 N GLN A 41 -8.229 3.097 -1.071 1.00 6.52 N ATOM 640 CA GLN A 41 -7.107 2.498 -0.289 1.00 3.87 C ATOM 641 C GLN A 41 -6.389 3.515 0.582 1.00 4.79 C ATOM 642 O GLN A 41 -6.124 4.611 0.036 1.00 6.34 O ATOM 643 CB GLN A 41 -6.154 1.751 -1.196 1.00 4.20 C ATOM 644 CG GLN A 41 -6.796 0.619 -1.918 1.00 3.20 C ATOM 645 CD GLN A 41 -5.678 -0.090 -2.744 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.562 -0.203 -2.278 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.125 -0.622 -3.919 1.00 7.13 N ATOM 0 H GLN A 41 -7.950 3.546 -1.943 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.546 1.776 0.399 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.735 2.446 -1.923 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.322 1.370 -0.603 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.255 -0.076 -1.215 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.589 0.980 -2.573 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.088 -0.464 -4.217 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.496 -1.178 -4.499 1.00 7.13 H new ATOM 656 N ARG A 42 -6.074 3.270 1.916 1.00 5.73 N ATOM 657 CA ARG A 42 -5.193 4.154 2.622 1.00 6.97 C ATOM 658 C ARG A 42 -4.087 3.199 3.128 1.00 7.15 C ATOM 659 O ARG A 42 -4.319 2.371 4.060 1.00 7.33 O ATOM 660 CB ARG A 42 -5.964 4.693 3.853 1.00 13.23 C ATOM 661 CG ARG A 42 -6.768 6.025 3.542 1.00 21.27 C ATOM 662 CD ARG A 42 -7.375 6.541 4.824 1.00 26.14 C ATOM 663 NE ARG A 42 -7.886 7.961 4.592 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.918 8.630 5.203 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.695 8.078 6.089 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.249 9.886 4.949 1.00 36.39 N ATOM 0 H ARG A 42 -6.428 2.484 2.462 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.819 4.989 2.029 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.658 3.929 4.204 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.260 4.880 4.663 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.104 6.774 3.111 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.549 5.831 2.807 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.192 5.893 5.142 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.633 6.533 5.622 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.387 8.491 3.878 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.551 7.105 6.358 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.448 8.618 6.514 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.723 10.422 4.259 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.030 10.318 5.443 1.00 36.39 H new ATOM 680 N LEU A 43 -2.888 3.250 2.602 1.00 4.65 N ATOM 681 CA LEU A 43 -1.790 2.523 3.229 1.00 3.51 C ATOM 682 C LEU A 43 -1.089 3.237 4.347 1.00 5.56 C ATOM 683 O LEU A 43 -0.745 4.391 4.187 1.00 4.19 O ATOM 684 CB LEU A 43 -0.703 2.209 2.165 1.00 3.74 C ATOM 685 CG LEU A 43 -1.162 1.409 0.893 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.073 1.252 -0.147 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.777 0.039 1.330 1.00 6.41 C ATOM 0 H LEU A 43 -2.641 3.772 1.761 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.265 1.638 3.653 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.270 3.153 1.834 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.094 1.646 2.650 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.932 1.995 0.392 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.460 0.690 -0.997 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.255 2.236 -0.482 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.771 0.717 0.288 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.095 -0.515 0.447 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.029 -0.540 1.871 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.637 0.216 1.977 1.00 6.41 H new ATOM 699 N ILE A 44 -0.855 2.541 5.551 1.00 4.58 N ATOM 700 CA ILE A 44 -0.154 3.110 6.683 1.00 5.55 C ATOM 701 C ILE A 44 1.110 2.367 7.106 1.00 5.46 C ATOM 702 O ILE A 44 1.047 1.192 7.239 1.00 6.04 O ATOM 703 CB ILE A 44 -1.168 3.080 7.836 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.638 3.506 7.467 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.581 3.916 8.981 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.735 4.945 6.922 1.00 13.90 C ATOM 0 H ILE A 44 -1.166 1.582 5.706 1.00 4.58 H new ATOM 0 HA ILE A 44 0.196 4.106 6.410 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.304 2.040 8.134 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.033 2.815 6.722 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.268 3.416 8.352 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.275 3.919 9.822 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.369 3.485 9.296 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.420 4.939 8.640 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.774 5.176 6.687 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.369 5.644 7.674 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.131 5.034 6.019 1.00 13.90 H new ATOM 718 N PHE A 45 2.147 3.161 7.441 1.00 6.75 N ATOM 719 CA PHE A 45 3.402 2.637 8.006 1.00 4.70 C ATOM 720 C PHE A 45 3.918 3.716 8.946 1.00 6.34 C ATOM 721 O PHE A 45 4.091 4.833 8.547 1.00 5.45 O ATOM 722 CB PHE A 45 4.332 2.317 6.795 1.00 5.51 C ATOM 723 CG PHE A 45 5.421 1.434 7.225 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.482 2.014 7.950 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.441 0.074 6.944 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.455 1.169 8.550 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.487 -0.730 7.474 1.00 6.68 C ATOM 728 CZ PHE A 45 7.505 -0.184 8.200 1.00 6.84 C ATOM 0 H PHE A 45 2.137 4.175 7.328 1.00 6.75 H new ATOM 0 HA PHE A 45 3.313 1.718 8.585 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.758 1.841 6.000 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.741 3.240 6.385 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.555 3.087 8.048 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.670 -0.368 6.330 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.151 1.570 9.272 1.00 6.64 H new ATOM 0 HE2 PHE A 45 6.475 -1.796 7.298 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.344 -0.793 8.502 1.00 6.84 H new ATOM 738 N ALA A 46 4.197 3.301 10.163 1.00 6.53 N ATOM 739 CA ALA A 46 4.558 4.073 11.293 1.00 7.15 C ATOM 740 C ALA A 46 3.638 5.208 11.601 1.00 9.00 C ATOM 741 O ALA A 46 4.012 6.321 11.872 1.00 11.15 O ATOM 742 CB ALA A 46 6.050 4.566 11.199 1.00 8.99 C ATOM 0 H ALA A 46 4.168 2.307 10.390 1.00 6.53 H new ATOM 0 HA ALA A 46 4.459 3.390 12.137 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.295 5.156 12.082 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.715 3.704 11.142 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.175 5.180 10.307 1.00 8.99 H new ATOM 748 N GLY A 47 2.290 4.924 11.550 1.00 9.35 N ATOM 749 CA GLY A 47 1.121 5.783 11.779 1.00 11.68 C ATOM 750 C GLY A 47 0.949 6.815 10.668 1.00 11.14 C ATOM 751 O GLY A 47 0.124 7.679 10.756 1.00 13.93 O ATOM 0 H GLY A 47 1.989 3.977 11.320 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.224 5.167 11.844 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.227 6.294 12.736 1.00 11.68 H new ATOM 755 N LYS A 48 1.721 6.722 9.606 1.00 10.47 N ATOM 756 CA LYS A 48 1.723 7.739 8.574 1.00 8.82 C ATOM 757 C LYS A 48 1.242 7.124 7.277 1.00 7.68 C ATOM 758 O LYS A 48 1.570 5.962 6.995 1.00 6.47 O ATOM 759 CB LYS A 48 3.097 8.403 8.444 1.00 9.74 C ATOM 760 CG LYS A 48 3.281 9.277 9.710 1.00 14.14 C ATOM 761 CD LYS A 48 4.690 9.823 9.927 1.00 16.32 C ATOM 762 CE LYS A 48 5.630 8.772 10.477 1.00 20.04 C ATOM 763 NZ LYS A 48 6.965 9.332 10.594 1.00 23.92 N ATOM 0 H LYS A 48 2.360 5.946 9.434 1.00 10.47 H new ATOM 0 HA LYS A 48 1.036 8.540 8.846 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.885 7.654 8.371 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.151 9.011 7.541 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.588 10.117 9.655 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.999 8.687 10.582 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.082 10.200 8.982 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.649 10.668 10.615 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.281 8.430 11.451 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.645 7.902 9.820 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.612 8.611 10.972 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.297 9.638 9.657 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.944 10.149 11.237 1.00 23.92 H new ATOM 777 N GLN A 49 0.459 7.947 6.499 1.00 8.89 N ATOM 778 CA GLN A 49 -0.047 7.546 5.230 1.00 7.18 C ATOM 779 C GLN A 49 0.980 7.500 4.109 1.00 8.23 C ATOM 780 O GLN A 49 1.764 8.428 4.008 1.00 9.70 O ATOM 781 CB GLN A 49 -1.230 8.397 4.729 1.00 11.67 C ATOM 782 CG GLN A 49 -1.796 7.843 3.430 1.00 15.82 C ATOM 783 CD GLN A 49 -3.226 8.039 3.077 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.672 7.293 2.196 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.007 9.009 3.620 1.00 20.67 N ATOM 0 H GLN A 49 0.189 8.892 6.774 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.379 6.531 5.446 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.012 8.421 5.488 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.903 9.425 4.577 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.205 8.266 2.617 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.611 6.769 3.433 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.631 9.619 4.346 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.969 9.127 3.302 1.00 20.67 H new ATOM 794 N LEU A 50 1.000 6.456 3.315 1.00 6.51 N ATOM 795 CA LEU A 50 1.800 6.436 2.079 1.00 7.41 C ATOM 796 C LEU A 50 0.962 6.935 0.917 1.00 8.27 C ATOM 797 O LEU A 50 -0.003 6.311 0.506 1.00 8.34 O ATOM 798 CB LEU A 50 2.336 5.025 1.893 1.00 7.13 C ATOM 799 CG LEU A 50 3.011 4.261 3.119 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.169 2.757 2.872 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.356 4.902 3.558 1.00 9.11 C ATOM 0 H LEU A 50 0.475 5.599 3.490 1.00 6.51 H new ATOM 0 HA LEU A 50 2.655 7.109 2.135 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.509 4.408 1.542 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.071 5.061 1.089 1.00 7.13 H new ATOM 0 HG LEU A 50 2.312 4.376 3.948 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.634 2.292 3.741 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.189 2.311 2.703 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.797 2.596 1.996 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.770 4.341 4.396 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.058 4.881 2.725 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.185 5.935 3.862 1.00 9.11 H new ATOM 813 N GLU A 51 1.327 8.162 0.468 1.00 9.43 N ATOM 814 CA GLU A 51 0.680 8.847 -0.554 1.00 11.90 C ATOM 815 C GLU A 51 1.140 8.595 -1.940 1.00 11.49 C ATOM 816 O GLU A 51 2.325 8.372 -2.213 1.00 9.88 O ATOM 817 CB GLU A 51 0.689 10.372 -0.291 1.00 16.56 C ATOM 818 CG GLU A 51 0.022 10.769 1.099 1.00 26.06 C ATOM 819 CD GLU A 51 0.090 12.264 1.435 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.244 13.140 0.606 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.595 12.576 2.557 1.00 33.44 O ATOM 0 H GLU A 51 2.117 8.676 0.857 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.327 8.431 -0.515 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.718 10.732 -0.310 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.160 10.877 -1.099 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -1.023 10.460 1.087 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.511 10.208 1.895 1.00 26.06 H new ATOM 828 N ASP A 52 0.231 8.614 -2.901 1.00 12.71 N ATOM 829 CA ASP A 52 0.233 7.940 -4.186 1.00 16.56 C ATOM 830 C ASP A 52 1.392 8.201 -5.162 1.00 15.83 C ATOM 831 O ASP A 52 1.958 7.356 -5.759 1.00 17.21 O ATOM 832 CB ASP A 52 -1.112 8.056 -4.840 1.00 21.05 C ATOM 833 CG ASP A 52 -2.278 7.826 -3.869 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.595 8.776 -3.166 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.914 6.755 -3.873 1.00 28.37 O ATOM 0 H ASP A 52 -0.620 9.164 -2.785 1.00 12.71 H new ATOM 0 HA ASP A 52 0.443 6.905 -3.917 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.208 9.046 -5.285 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.177 7.333 -5.653 1.00 21.05 H new ATOM 840 N GLY A 53 1.793 9.503 -5.322 1.00 15.00 N ATOM 841 CA GLY A 53 2.596 9.941 -6.460 1.00 11.77 C ATOM 842 C GLY A 53 4.075 10.058 -6.202 1.00 11.10 C ATOM 843 O GLY A 53 4.691 10.994 -6.675 1.00 11.25 O ATOM 0 H GLY A 53 1.562 10.249 -4.666 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.442 9.242 -7.282 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.225 10.910 -6.793 1.00 11.77 H new ATOM 847 N ARG A 54 4.643 9.182 -5.378 1.00 8.53 N ATOM 848 CA ARG A 54 6.066 9.072 -5.036 1.00 9.05 C ATOM 849 C ARG A 54 6.403 7.626 -4.839 1.00 8.96 C ATOM 850 O ARG A 54 5.452 6.799 -4.795 1.00 11.60 O ATOM 851 CB ARG A 54 6.563 9.930 -3.855 1.00 7.97 C ATOM 852 CG ARG A 54 6.236 9.365 -2.464 1.00 9.62 C ATOM 853 CD ARG A 54 6.589 10.331 -1.232 1.00 12.20 C ATOM 854 NE ARG A 54 5.458 11.342 -1.129 1.00 18.23 N ATOM 855 CZ ARG A 54 5.633 12.481 -0.424 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.618 12.595 0.441 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.696 13.438 -0.601 1.00 23.38 N ATOM 0 H ARG A 54 4.085 8.478 -4.895 1.00 8.53 H new ATOM 0 HA ARG A 54 6.604 9.498 -5.883 1.00 9.05 H new ATOM 0 HB2 ARG A 54 7.643 10.047 -3.939 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.127 10.925 -3.939 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.172 9.129 -2.426 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.775 8.427 -2.335 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.683 9.761 -0.308 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.543 10.833 -1.395 1.00 12.20 H new ATOM 0 HE ARG A 54 4.568 11.160 -1.592 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.262 11.817 0.586 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.738 13.461 0.966 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.916 13.276 -1.237 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.769 14.322 -0.098 1.00 23.38 H new ATOM 871 N THR A 55 7.710 7.293 -4.764 1.00 9.05 N ATOM 872 CA THR A 55 8.070 5.849 -4.622 1.00 9.03 C ATOM 873 C THR A 55 8.143 5.294 -3.226 1.00 8.15 C ATOM 874 O THR A 55 8.200 5.963 -2.215 1.00 5.91 O ATOM 875 CB THR A 55 9.351 5.395 -5.320 1.00 11.15 C ATOM 876 OG1 THR A 55 10.551 5.844 -4.710 1.00 11.95 O ATOM 877 CG2 THR A 55 9.307 5.929 -6.754 1.00 11.71 C ATOM 0 H THR A 55 8.492 7.947 -4.796 1.00 9.05 H new ATOM 0 HA THR A 55 7.196 5.443 -5.131 1.00 9.03 H new ATOM 0 HB THR A 55 9.375 4.307 -5.263 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.752 6.754 -5.013 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.209 5.623 -7.284 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.432 5.527 -7.265 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.249 7.017 -6.735 1.00 11.71 H new ATOM 885 N LEU A 56 8.176 3.947 -3.277 1.00 6.91 N ATOM 886 CA LEU A 56 8.476 3.059 -2.124 1.00 8.29 C ATOM 887 C LEU A 56 9.819 3.399 -1.530 1.00 8.05 C ATOM 888 O LEU A 56 9.996 3.546 -0.279 1.00 10.17 O ATOM 889 CB LEU A 56 8.455 1.594 -2.615 1.00 6.60 C ATOM 890 CG LEU A 56 7.008 0.935 -2.725 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.074 -0.162 -3.752 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.441 0.440 -1.425 1.00 8.64 C ATOM 0 H LEU A 56 7.992 3.430 -4.137 1.00 6.91 H new ATOM 0 HA LEU A 56 7.725 3.198 -1.346 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.932 1.549 -3.594 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.060 0.992 -1.937 1.00 6.60 H new ATOM 0 HG LEU A 56 6.312 1.717 -3.030 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.095 -0.631 -3.847 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.371 0.257 -4.713 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.805 -0.908 -3.441 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.455 0.009 -1.599 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.101 -0.320 -1.006 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.355 1.272 -0.726 1.00 8.64 H new ATOM 904 N SER A 57 10.887 3.569 -2.390 1.00 8.92 N ATOM 905 CA SER A 57 12.228 4.153 -2.051 1.00 9.00 C ATOM 906 C SER A 57 12.129 5.527 -1.437 1.00 9.44 C ATOM 907 O SER A 57 12.965 5.826 -0.587 1.00 10.91 O ATOM 908 CB SER A 57 13.174 4.305 -3.229 1.00 10.32 C ATOM 909 OG SER A 57 14.498 4.399 -2.792 1.00 13.59 O ATOM 0 H SER A 57 10.828 3.291 -3.370 1.00 8.92 H new ATOM 0 HA SER A 57 12.624 3.419 -1.350 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.067 3.452 -3.900 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.911 5.195 -3.800 1.00 10.32 H new ATOM 0 HG SER A 57 15.092 4.495 -3.566 1.00 13.59 H new ATOM 915 N ASP A 58 11.155 6.371 -1.830 1.00 9.11 N ATOM 916 CA ASP A 58 11.009 7.742 -1.322 1.00 7.91 C ATOM 917 C ASP A 58 10.432 7.813 0.073 1.00 9.12 C ATOM 918 O ASP A 58 10.564 8.811 0.777 1.00 8.61 O ATOM 919 CB ASP A 58 10.246 8.633 -2.312 1.00 8.41 C ATOM 920 CG ASP A 58 10.910 8.761 -3.630 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.010 9.322 -3.788 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.328 8.300 -4.635 1.00 11.70 O ATOM 0 H ASP A 58 10.444 6.115 -2.515 1.00 9.11 H new ATOM 0 HA ASP A 58 12.020 8.139 -1.234 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.245 8.226 -2.457 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.127 9.625 -1.877 1.00 8.41 H new ATOM 927 N TYR A 59 9.812 6.704 0.458 1.00 7.97 N ATOM 928 CA TYR A 59 9.358 6.407 1.813 1.00 8.45 C ATOM 929 C TYR A 59 10.234 5.397 2.562 1.00 10.98 C ATOM 930 O TYR A 59 9.972 5.025 3.692 1.00 12.95 O ATOM 931 CB TYR A 59 7.917 5.764 1.834 1.00 7.94 C ATOM 932 CG TYR A 59 6.889 6.883 1.625 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.783 7.882 2.567 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.959 6.880 0.572 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.732 8.793 2.449 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.920 7.719 0.486 1.00 6.52 C ATOM 937 CZ TYR A 59 4.784 8.735 1.484 1.00 6.76 C ATOM 938 OH TYR A 59 3.748 9.673 1.310 1.00 7.63 O ATOM 0 H TYR A 59 9.602 5.951 -0.197 1.00 7.97 H new ATOM 0 HA TYR A 59 9.392 7.384 2.295 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.825 5.012 1.050 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.740 5.258 2.783 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.494 7.959 3.376 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.091 6.155 -0.218 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.671 9.593 3.172 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.202 7.631 -0.316 1.00 6.52 H new ATOM 0 HH TYR A 59 3.722 9.961 0.374 1.00 7.63 H new ATOM 948 N ASN A 60 11.354 4.922 1.904 1.00 12.38 N ATOM 949 CA ASN A 60 12.495 4.297 2.601 1.00 13.94 C ATOM 950 C ASN A 60 11.972 2.844 2.993 1.00 14.16 C ATOM 951 O ASN A 60 12.445 2.212 3.947 1.00 14.26 O ATOM 952 CB ASN A 60 13.046 5.115 3.778 1.00 19.23 C ATOM 953 CG ASN A 60 13.358 6.542 3.331 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.891 7.501 3.981 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.172 6.780 2.295 1.00 24.09 N ATOM 0 H ASN A 60 11.469 4.971 0.892 1.00 12.38 H new ATOM 0 HA ASN A 60 13.375 4.245 1.960 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.319 5.132 4.590 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.948 4.643 4.167 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.407 7.740 2.041 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.557 6.002 1.760 1.00 24.09 H new ATOM 962 N ILE A 61 11.008 2.312 2.201 1.00 11.08 N ATOM 963 CA ILE A 61 10.489 0.979 2.388 1.00 11.78 C ATOM 964 C ILE A 61 11.448 -0.118 1.999 1.00 13.74 C ATOM 965 O ILE A 61 11.901 -0.153 0.834 1.00 14.60 O ATOM 966 CB ILE A 61 9.131 0.845 1.783 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.212 1.799 2.528 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.695 -0.627 1.759 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.786 1.896 1.890 1.00 11.42 C ATOM 0 H ILE A 61 10.584 2.814 1.421 1.00 11.08 H new ATOM 0 HA ILE A 61 10.373 0.834 3.462 1.00 11.78 H new ATOM 0 HB ILE A 61 9.106 1.133 0.732 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.119 1.472 3.564 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.664 2.791 2.546 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.703 -0.705 1.315 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.404 -1.207 1.168 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.668 -1.015 2.777 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.176 2.592 2.466 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.870 2.252 0.863 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.317 0.912 1.896 1.00 11.42 H new ATOM 981 N GLN A 62 11.785 -1.073 2.936 1.00 13.97 N ATOM 982 CA GLN A 62 12.709 -2.146 2.725 1.00 15.52 C ATOM 983 C GLN A 62 11.998 -3.410 2.560 1.00 13.94 C ATOM 984 O GLN A 62 10.794 -3.376 2.754 1.00 12.15 O ATOM 985 CB GLN A 62 13.777 -2.228 3.839 1.00 19.53 C ATOM 986 CG GLN A 62 13.286 -2.186 5.245 1.00 26.38 C ATOM 987 CD GLN A 62 14.388 -1.920 6.310 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.634 -0.758 6.711 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.917 -2.978 6.946 1.00 32.71 N ATOM 0 H GLN A 62 11.384 -1.078 3.874 1.00 13.97 H new ATOM 0 HA GLN A 62 13.249 -1.939 1.801 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.339 -3.152 3.703 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.478 -1.405 3.699 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.526 -1.409 5.327 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.799 -3.134 5.474 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.716 -3.923 6.619 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.520 -2.837 7.757 1.00 32.71 H new ATOM 998 N LYS A 63 12.675 -4.498 2.202 1.00 11.73 N ATOM 999 CA LYS A 63 12.138 -5.839 2.051 1.00 11.97 C ATOM 1000 C LYS A 63 11.417 -6.286 3.446 1.00 10.41 C ATOM 1001 O LYS A 63 11.741 -5.820 4.520 1.00 9.59 O ATOM 1002 CB LYS A 63 13.083 -6.884 1.425 1.00 13.73 C ATOM 1003 CG LYS A 63 14.129 -7.464 2.384 1.00 16.98 C ATOM 1004 CD LYS A 63 15.002 -8.473 1.730 1.00 20.19 C ATOM 1005 CE LYS A 63 16.232 -8.804 2.631 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.204 -7.734 2.547 1.00 25.97 N ATOM 0 H LYS A 63 13.674 -4.460 1.998 1.00 11.73 H new ATOM 0 HA LYS A 63 11.376 -5.799 1.273 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.483 -7.702 1.026 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.599 -6.426 0.581 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.745 -6.655 2.777 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.624 -7.922 3.234 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.433 -9.382 1.535 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.342 -8.096 0.765 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.912 -8.937 3.665 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.684 -9.744 2.314 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.163 -8.130 2.620 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.101 -7.242 1.637 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.047 -7.061 3.324 1.00 25.97 H new ATOM 1020 N GLU A 64 10.430 -7.195 3.355 1.00 10.04 N ATOM 1021 CA GLU A 64 9.766 -7.900 4.469 1.00 10.94 C ATOM 1022 C GLU A 64 8.890 -6.927 5.260 1.00 9.74 C ATOM 1023 O GLU A 64 8.245 -7.340 6.236 1.00 9.42 O ATOM 1024 CB GLU A 64 10.771 -8.817 5.312 1.00 18.31 C ATOM 1025 CG GLU A 64 11.289 -9.988 4.465 1.00 24.16 C ATOM 1026 CD GLU A 64 12.088 -10.943 5.283 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.521 -11.754 6.082 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.346 -10.941 5.212 1.00 32.61 O ATOM 0 H GLU A 64 10.052 -7.474 2.450 1.00 10.04 H new ATOM 0 HA GLU A 64 9.073 -8.642 4.072 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.611 -8.216 5.661 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.264 -9.200 6.197 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.447 -10.511 4.012 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.902 -9.605 3.649 1.00 24.16 H new ATOM 1035 N SER A 65 8.791 -5.643 4.879 1.00 6.85 N ATOM 1036 CA SER A 65 7.990 -4.656 5.535 1.00 6.90 C ATOM 1037 C SER A 65 6.483 -4.860 5.421 1.00 4.72 C ATOM 1038 O SER A 65 5.898 -4.966 4.375 1.00 3.91 O ATOM 1039 CB SER A 65 8.218 -3.188 5.078 1.00 7.28 C ATOM 1040 OG SER A 65 9.581 -2.823 5.325 1.00 10.56 O ATOM 0 H SER A 65 9.295 -5.273 4.073 1.00 6.85 H new ATOM 0 HA SER A 65 8.338 -4.805 6.557 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.988 -3.085 4.018 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.547 -2.519 5.616 1.00 7.28 H new ATOM 0 HG SER A 65 10.111 -2.968 4.513 1.00 10.56 H new ATOM 1046 N THR A 66 5.821 -4.891 6.593 1.00 4.48 N ATOM 1047 CA THR A 66 4.392 -4.956 6.710 1.00 3.80 C ATOM 1048 C THR A 66 3.754 -3.605 6.650 1.00 4.60 C ATOM 1049 O THR A 66 3.950 -2.682 7.345 1.00 5.33 O ATOM 1050 CB THR A 66 3.938 -5.613 8.027 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.413 -6.955 8.039 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.421 -5.694 8.180 1.00 3.40 C ATOM 0 H THR A 66 6.297 -4.870 7.495 1.00 4.48 H new ATOM 0 HA THR A 66 4.074 -5.561 5.861 1.00 3.80 H new ATOM 0 HB THR A 66 4.333 -4.997 8.835 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.136 -7.393 8.871 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.176 -6.168 9.130 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.999 -4.689 8.156 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.004 -6.283 7.363 1.00 3.40 H new ATOM 1060 N LEU A 67 2.850 -3.492 5.694 1.00 4.17 N ATOM 1061 CA LEU A 67 2.050 -2.344 5.381 1.00 3.85 C ATOM 1062 C LEU A 67 0.613 -2.701 5.827 1.00 3.80 C ATOM 1063 O LEU A 67 0.134 -3.835 5.764 1.00 5.54 O ATOM 1064 CB LEU A 67 2.049 -1.874 3.916 1.00 7.18 C ATOM 1065 CG LEU A 67 3.362 -1.155 3.521 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.645 -1.975 3.576 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.241 -0.555 2.057 1.00 11.66 C ATOM 0 H LEU A 67 2.647 -4.273 5.070 1.00 4.17 H new ATOM 0 HA LEU A 67 2.486 -1.493 5.903 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.899 -2.733 3.263 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.207 -1.200 3.755 1.00 7.18 H new ATOM 0 HG LEU A 67 3.463 -0.392 4.293 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.488 -1.352 3.276 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.804 -2.335 4.593 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.563 -2.825 2.899 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.171 -0.052 1.792 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.049 -1.361 1.348 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.419 0.161 2.024 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.067 -1.676 6.415 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.400 -1.869 6.941 1.00 4.17 C ATOM 1081 C HIS A 68 -2.343 -1.211 5.985 1.00 5.32 C ATOM 1082 O HIS A 68 -2.070 -0.071 5.579 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.478 -1.208 8.278 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.500 -1.735 9.351 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.582 -2.972 9.924 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.582 -1.138 9.918 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.439 -3.090 10.751 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.253 -2.054 10.695 1.00 16.30 N ATOM 0 H HIS A 68 0.301 -0.731 6.524 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.648 -2.924 7.053 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.300 -0.141 8.145 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.494 -1.317 8.656 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.870 -0.106 9.780 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.591 -3.939 11.401 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.171 -1.954 11.129 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.418 -1.869 5.513 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.325 -1.299 4.518 1.00 3.97 C ATOM 1098 C LEU A 69 -5.582 -1.127 5.187 1.00 5.07 C ATOM 1099 O LEU A 69 -6.140 -1.969 5.849 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.436 -2.261 3.295 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.549 -2.089 2.218 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.480 -0.701 1.619 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.298 -3.174 1.287 1.00 9.96 C ATOM 0 H LEU A 69 -3.676 -2.809 5.814 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.973 -0.344 4.127 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.481 -2.219 2.772 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.536 -3.270 3.695 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.569 -2.154 2.596 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.261 -0.590 0.867 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.623 0.042 2.404 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.505 -0.554 1.154 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.034 -3.142 0.484 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.298 -3.069 0.867 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.374 -4.127 1.810 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.133 0.085 5.011 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.371 0.594 5.509 1.00 6.26 C ATOM 1117 C VAL A 70 -8.316 1.166 4.387 1.00 9.22 C ATOM 1118 O VAL A 70 -7.822 1.792 3.476 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.062 1.708 6.493 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.373 2.397 7.057 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.203 1.189 7.713 1.00 8.54 C ATOM 0 H VAL A 70 -5.650 0.789 4.453 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.900 -0.239 5.973 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.490 2.445 5.929 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.097 3.186 7.756 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.943 2.825 6.232 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.982 1.654 7.571 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.003 2.016 8.395 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.753 0.409 8.240 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.260 0.783 7.347 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.636 0.922 4.445 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.604 1.368 3.393 1.00 16.06 C ATOM 1133 C LEU A 71 -11.063 2.821 3.578 1.00 18.09 C ATOM 1134 O LEU A 71 -11.107 3.263 4.704 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.913 0.623 3.370 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.741 -0.838 2.977 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.750 -1.744 3.678 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.739 -1.030 1.491 1.00 19.57 C ATOM 0 H LEU A 71 -10.074 0.413 5.213 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.020 1.195 2.489 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.378 0.680 4.354 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.592 1.108 2.669 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.755 -1.142 3.327 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.589 -2.776 3.367 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.621 -1.666 4.757 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.761 -1.438 3.411 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.614 -2.088 1.261 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.684 -0.678 1.077 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.918 -0.464 1.052 1.00 19.57 H new