USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 142:sc= 1.63 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.929 USER MOD Set 2.1: A 7 THR OG1 : rot -176:sc= 0.194 USER MOD Set 2.2: A 9 THR OG1 : rot -5:sc= 0.113 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= 2.45 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.443) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -56:sc= 0.176 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.18 K(o=1.2,f=-0.15) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 1.13 (180deg=0.869) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 41 GLN : amide:sc= 0.00671 K(o=0.0067,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0927 K(o=-0.093,f=-0.91) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.563 USER MOD Single : A 60 ASN : amide:sc= -0.0033 X(o=-0.0033,f=-0.0051) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.171) USER MOD Single : A 65 SER OG : rot 67:sc= 1.03 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.699 K(o=0.7,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.303 -7.767 -4.957 1.00 9.67 N ATOM 2 CA MET A 1 11.323 -7.449 -3.477 1.00 10.38 C ATOM 3 C MET A 1 9.998 -7.793 -2.840 1.00 9.62 C ATOM 4 O MET A 1 8.901 -7.535 -3.347 1.00 9.62 O ATOM 5 CB MET A 1 11.730 -5.989 -3.170 1.00 13.77 C ATOM 6 CG MET A 1 11.990 -5.672 -1.678 1.00 16.29 C ATOM 7 SD MET A 1 12.423 -3.939 -1.320 1.00 17.17 S ATOM 8 CE MET A 1 10.746 -3.331 -0.942 1.00 16.11 C ATOM 0 H1 MET A 1 12.279 -7.835 -5.311 1.00 9.67 H new ATOM 0 H2 MET A 1 10.815 -8.672 -5.111 1.00 9.67 H new ATOM 0 H3 MET A 1 10.802 -7.012 -5.468 1.00 9.67 H new ATOM 0 HA MET A 1 12.099 -8.075 -3.036 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.631 -5.754 -3.736 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.944 -5.327 -3.533 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.099 -5.933 -1.107 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.797 -6.313 -1.322 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.791 -2.271 -0.693 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.103 -3.472 -1.811 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.340 -3.886 -0.096 1.00 16.11 H new ATOM 20 N GLN A 2 10.022 -8.472 -1.639 1.00 9.27 N ATOM 21 CA GLN A 2 8.810 -8.874 -0.990 1.00 9.07 C ATOM 22 C GLN A 2 8.322 -7.869 0.027 1.00 8.72 C ATOM 23 O GLN A 2 9.156 -7.477 0.850 1.00 8.22 O ATOM 24 CB GLN A 2 9.028 -10.250 -0.316 1.00 14.46 C ATOM 25 CG GLN A 2 7.747 -10.889 0.325 1.00 17.01 C ATOM 26 CD GLN A 2 8.077 -12.337 0.614 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.399 -12.694 1.753 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.001 -13.187 -0.452 1.00 19.49 N ATOM 0 H GLN A 2 10.875 -8.729 -1.143 1.00 9.27 H new ATOM 0 HA GLN A 2 8.036 -8.940 -1.754 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.427 -10.941 -1.058 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.787 -10.141 0.459 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.471 -10.366 1.240 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.897 -10.814 -0.354 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.729 -12.832 -1.369 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.216 -14.177 -0.331 1.00 19.49 H new ATOM 37 N ILE A 3 7.005 -7.521 -0.027 1.00 5.87 N ATOM 38 CA ILE A 3 6.364 -6.726 0.986 1.00 5.07 C ATOM 39 C ILE A 3 4.993 -7.394 1.203 1.00 4.01 C ATOM 40 O ILE A 3 4.447 -8.068 0.328 1.00 4.61 O ATOM 41 CB ILE A 3 6.070 -5.307 0.649 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.314 -5.152 -0.731 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.439 -4.623 0.669 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.843 -3.716 -0.873 1.00 10.83 C ATOM 0 H ILE A 3 6.383 -7.799 -0.787 1.00 5.87 H new ATOM 0 HA ILE A 3 7.051 -6.691 1.831 1.00 5.07 H new ATOM 0 HB ILE A 3 5.382 -4.849 1.359 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.976 -5.415 -1.556 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.465 -5.834 -0.775 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.321 -3.566 0.430 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.882 -4.724 1.660 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.090 -5.091 -0.069 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.320 -3.597 -1.822 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.168 -3.472 -0.053 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.703 -3.047 -0.846 1.00 10.83 H new ATOM 56 N PHE A 4 4.445 -7.120 2.419 1.00 4.55 N ATOM 57 CA PHE A 4 3.203 -7.664 2.850 1.00 4.68 C ATOM 58 C PHE A 4 2.228 -6.469 3.097 1.00 5.30 C ATOM 59 O PHE A 4 2.629 -5.307 3.377 1.00 5.58 O ATOM 60 CB PHE A 4 3.352 -8.466 4.199 1.00 4.83 C ATOM 61 CG PHE A 4 4.323 -9.674 4.126 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.030 -10.678 3.164 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.302 -9.932 5.099 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.761 -11.859 3.093 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.031 -11.142 5.070 1.00 10.61 C ATOM 66 CZ PHE A 4 5.826 -12.036 4.029 1.00 8.90 C ATOM 0 H PHE A 4 4.885 -6.507 3.105 1.00 4.55 H new ATOM 0 HA PHE A 4 2.835 -8.350 2.087 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.698 -7.784 4.976 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.369 -8.824 4.504 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.218 -10.520 2.470 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.498 -9.203 5.872 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.532 -12.615 2.357 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.741 -11.369 5.851 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.486 -12.884 3.924 1.00 8.90 H new ATOM 76 N VAL A 5 0.889 -6.726 2.941 1.00 4.44 N ATOM 77 CA VAL A 5 -0.092 -5.619 3.136 1.00 3.87 C ATOM 78 C VAL A 5 -1.133 -6.306 4.022 1.00 4.93 C ATOM 79 O VAL A 5 -1.760 -7.295 3.637 1.00 6.84 O ATOM 80 CB VAL A 5 -0.798 -5.059 1.903 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.419 -3.718 2.312 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.209 -4.837 0.789 1.00 9.13 C ATOM 0 H VAL A 5 0.488 -7.632 2.696 1.00 4.44 H new ATOM 0 HA VAL A 5 0.426 -4.740 3.519 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.560 -5.751 1.543 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.936 -3.281 1.458 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.130 -3.878 3.123 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.634 -3.040 2.647 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.301 -4.437 -0.088 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.969 -4.129 1.121 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.683 -5.785 0.533 1.00 9.13 H new ATOM 92 N LYS A 6 -1.395 -5.796 5.247 1.00 6.04 N ATOM 93 CA LYS A 6 -2.233 -6.409 6.275 1.00 6.12 C ATOM 94 C LYS A 6 -3.550 -5.624 6.473 1.00 6.57 C ATOM 95 O LYS A 6 -3.624 -4.468 6.786 1.00 5.76 O ATOM 96 CB LYS A 6 -1.470 -6.518 7.613 1.00 7.45 C ATOM 97 CG LYS A 6 -2.255 -7.239 8.710 1.00 11.12 C ATOM 98 CD LYS A 6 -1.413 -7.503 9.999 1.00 14.54 C ATOM 99 CE LYS A 6 -2.121 -8.462 11.017 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.305 -8.707 12.211 1.00 20.55 N ATOM 0 H LYS A 6 -1.004 -4.904 5.549 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.486 -7.413 5.934 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.531 -7.045 7.444 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.216 -5.516 7.959 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.130 -6.645 8.971 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.620 -8.190 8.321 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.452 -7.931 9.715 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.206 -6.552 10.490 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.077 -8.030 11.315 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.339 -9.411 10.527 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.814 -9.346 12.854 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.403 -9.143 11.932 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.118 -7.806 12.695 1.00 20.55 H new ATOM 114 N THR A 7 -4.644 -6.392 6.544 1.00 7.41 N ATOM 115 CA THR A 7 -5.945 -5.773 6.492 1.00 7.48 C ATOM 116 C THR A 7 -6.644 -5.453 7.850 1.00 8.75 C ATOM 117 O THR A 7 -6.171 -5.882 8.887 1.00 8.58 O ATOM 118 CB THR A 7 -6.918 -6.395 5.497 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.403 -7.650 6.004 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.225 -6.751 4.126 1.00 9.17 C ATOM 0 H THR A 7 -4.644 -7.408 6.634 1.00 7.41 H new ATOM 0 HA THR A 7 -5.661 -4.796 6.100 1.00 7.48 H new ATOM 0 HB THR A 7 -7.708 -5.658 5.352 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.979 -8.073 5.333 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.959 -7.191 3.451 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.818 -5.845 3.678 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.419 -7.464 4.300 1.00 9.17 H new ATOM 128 N LEU A 8 -7.770 -4.648 7.884 1.00 9.84 N ATOM 129 CA LEU A 8 -8.644 -4.466 9.027 1.00 14.15 C ATOM 130 C LEU A 8 -9.073 -5.831 9.632 1.00 17.37 C ATOM 131 O LEU A 8 -9.027 -6.007 10.853 1.00 17.01 O ATOM 132 CB LEU A 8 -9.824 -3.527 8.727 1.00 16.63 C ATOM 133 CG LEU A 8 -9.486 -2.099 8.168 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.718 -1.418 7.553 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.037 -1.293 9.355 1.00 18.59 C ATOM 0 H LEU A 8 -8.071 -4.108 7.073 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.070 -3.954 9.800 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.476 -4.024 8.009 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.397 -3.402 9.646 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.731 -2.173 7.385 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.440 -0.433 7.179 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.097 -2.025 6.731 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.492 -1.312 8.313 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.785 -0.282 9.034 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.840 -1.250 10.091 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.160 -1.761 9.802 1.00 18.59 H new ATOM 147 N THR A 9 -9.384 -6.832 8.769 1.00 18.33 N ATOM 148 CA THR A 9 -9.759 -8.219 9.073 1.00 19.24 C ATOM 149 C THR A 9 -8.578 -9.146 9.223 1.00 19.48 C ATOM 150 O THR A 9 -8.625 -10.335 9.279 1.00 23.14 O ATOM 151 CB THR A 9 -10.800 -8.795 8.083 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.223 -8.820 6.757 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.029 -7.924 8.112 1.00 19.70 C ATOM 0 H THR A 9 -9.375 -6.666 7.763 1.00 18.33 H new ATOM 0 HA THR A 9 -10.237 -8.164 10.051 1.00 19.24 H new ATOM 0 HB THR A 9 -11.078 -9.811 8.364 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.340 -8.395 6.776 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.771 -8.319 7.418 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.444 -7.913 9.120 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.762 -6.909 7.819 1.00 19.70 H new ATOM 161 N GLY A 10 -7.371 -8.654 9.270 1.00 19.43 N ATOM 162 CA GLY A 10 -6.210 -9.478 9.624 1.00 18.74 C ATOM 163 C GLY A 10 -5.576 -10.285 8.522 1.00 17.62 C ATOM 164 O GLY A 10 -4.664 -11.076 8.707 1.00 19.74 O ATOM 0 H GLY A 10 -7.147 -7.679 9.068 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.447 -8.823 10.045 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.512 -10.165 10.415 1.00 18.74 H new ATOM 168 N LYS A 11 -6.106 -10.176 7.310 1.00 13.56 N ATOM 169 CA LYS A 11 -5.668 -10.972 6.154 1.00 11.91 C ATOM 170 C LYS A 11 -4.312 -10.397 5.783 1.00 10.18 C ATOM 171 O LYS A 11 -4.164 -9.191 5.766 1.00 9.10 O ATOM 172 CB LYS A 11 -6.683 -10.986 5.010 1.00 13.43 C ATOM 173 CG LYS A 11 -6.310 -11.887 3.856 1.00 16.69 C ATOM 174 CD LYS A 11 -7.427 -11.732 2.748 1.00 17.92 C ATOM 175 CE LYS A 11 -7.098 -12.533 1.459 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.014 -12.339 0.343 1.00 21.93 N ATOM 0 H LYS A 11 -6.862 -9.526 7.092 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.588 -12.032 6.394 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.650 -11.300 5.402 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.805 -9.969 4.637 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.334 -11.613 3.456 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.240 -12.923 4.187 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.382 -12.071 3.149 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.543 -10.677 2.498 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.094 -12.263 1.132 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.078 -13.594 1.708 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.543 -12.609 -0.544 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.858 -12.930 0.480 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.296 -11.339 0.295 1.00 21.93 H new ATOM 190 N THR A 12 -3.274 -11.211 5.533 1.00 9.63 N ATOM 191 CA THR A 12 -1.953 -10.762 5.203 1.00 9.85 C ATOM 192 C THR A 12 -1.705 -11.038 3.700 1.00 11.66 C ATOM 193 O THR A 12 -1.422 -12.180 3.298 1.00 12.33 O ATOM 194 CB THR A 12 -0.823 -11.375 6.018 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.092 -11.258 7.386 1.00 10.91 O ATOM 196 CG2 THR A 12 0.524 -10.678 5.799 1.00 9.63 C ATOM 0 H THR A 12 -3.355 -12.227 5.561 1.00 9.63 H new ATOM 0 HA THR A 12 -1.931 -9.700 5.447 1.00 9.85 H new ATOM 0 HB THR A 12 -0.762 -12.412 5.688 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.359 -11.657 7.899 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.287 -11.162 6.408 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.802 -10.746 4.747 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.442 -9.630 6.086 1.00 9.63 H new ATOM 204 N ILE A 13 -1.779 -10.025 2.735 1.00 10.42 N ATOM 205 CA ILE A 13 -1.506 -10.308 1.350 1.00 11.84 C ATOM 206 C ILE A 13 -0.064 -10.231 1.074 1.00 10.55 C ATOM 207 O ILE A 13 0.672 -9.587 1.850 1.00 11.92 O ATOM 208 CB ILE A 13 -2.464 -9.590 0.371 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.190 -8.067 0.281 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.935 -9.884 0.713 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.955 -7.316 -0.770 1.00 16.46 C ATOM 0 H ILE A 13 -2.021 -9.055 2.935 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.757 -11.349 1.144 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.265 -9.997 -0.620 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.412 -7.621 1.250 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.125 -7.921 0.100 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.583 -9.365 0.007 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.116 -10.957 0.650 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.150 -9.538 1.724 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.680 -6.262 -0.737 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.717 -7.722 -1.753 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.024 -7.418 -0.584 1.00 16.46 H new ATOM 223 N THR A 14 0.437 -11.026 0.099 1.00 9.39 N ATOM 224 CA THR A 14 1.836 -10.875 -0.293 1.00 9.63 C ATOM 225 C THR A 14 1.972 -10.255 -1.640 1.00 11.20 C ATOM 226 O THR A 14 1.366 -10.726 -2.616 1.00 11.63 O ATOM 227 CB THR A 14 2.621 -12.199 -0.404 1.00 10.38 C ATOM 228 OG1 THR A 14 2.533 -12.916 0.777 1.00 16.30 O ATOM 229 CG2 THR A 14 4.134 -11.988 -0.660 1.00 11.66 C ATOM 0 H THR A 14 -0.087 -11.743 -0.403 1.00 9.39 H new ATOM 0 HA THR A 14 2.241 -10.258 0.509 1.00 9.63 H new ATOM 0 HB THR A 14 2.173 -12.727 -1.246 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.847 -12.361 1.521 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.630 -12.956 -0.728 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.272 -11.443 -1.594 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.566 -11.416 0.161 1.00 11.66 H new ATOM 237 N LEU A 15 2.897 -9.232 -1.794 1.00 8.29 N ATOM 238 CA LEU A 15 3.156 -8.701 -3.092 1.00 9.03 C ATOM 239 C LEU A 15 4.590 -8.887 -3.476 1.00 8.59 C ATOM 240 O LEU A 15 5.555 -9.043 -2.724 1.00 7.79 O ATOM 241 CB LEU A 15 2.821 -7.213 -3.144 1.00 11.08 C ATOM 242 CG LEU A 15 1.368 -6.798 -2.974 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.221 -5.331 -3.246 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.268 -7.630 -3.726 1.00 15.27 C ATOM 0 H LEU A 15 3.430 -8.808 -1.035 1.00 8.29 H new ATOM 0 HA LEU A 15 2.524 -9.244 -3.795 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.403 -6.713 -2.370 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.168 -6.827 -4.102 1.00 11.08 H new ATOM 0 HG LEU A 15 1.156 -7.036 -1.932 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.178 -5.041 -3.122 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.840 -4.768 -2.547 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.539 -5.117 -4.266 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.716 -7.214 -3.507 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.450 -7.587 -4.800 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.306 -8.667 -3.393 1.00 15.27 H new ATOM 256 N GLU A 16 4.814 -8.904 -4.760 1.00 11.04 N ATOM 257 CA GLU A 16 6.124 -8.671 -5.350 1.00 11.50 C ATOM 258 C GLU A 16 6.105 -7.218 -5.846 1.00 10.13 C ATOM 259 O GLU A 16 5.227 -6.808 -6.563 1.00 9.83 O ATOM 260 CB GLU A 16 6.428 -9.727 -6.448 1.00 17.22 C ATOM 261 CG GLU A 16 7.920 -9.778 -6.840 1.00 23.33 C ATOM 262 CD GLU A 16 8.793 -10.559 -5.863 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.326 -11.635 -5.355 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.946 -10.105 -5.560 1.00 28.90 O ATOM 0 H GLU A 16 4.083 -9.083 -5.449 1.00 11.04 H new ATOM 0 HA GLU A 16 6.941 -8.792 -4.638 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.117 -10.710 -6.095 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.833 -9.504 -7.334 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.010 -10.226 -7.829 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.300 -8.759 -6.916 1.00 23.33 H new ATOM 271 N VAL A 17 7.168 -6.457 -5.471 1.00 8.99 N ATOM 272 CA VAL A 17 7.223 -5.042 -5.843 1.00 8.85 C ATOM 273 C VAL A 17 8.736 -4.797 -6.071 1.00 8.04 C ATOM 274 O VAL A 17 9.548 -5.749 -5.825 1.00 8.99 O ATOM 275 CB VAL A 17 6.712 -4.068 -4.767 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.171 -4.286 -4.495 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.611 -4.167 -3.453 1.00 10.54 C ATOM 0 H VAL A 17 7.965 -6.795 -4.931 1.00 8.99 H new ATOM 0 HA VAL A 17 6.577 -4.855 -6.701 1.00 8.85 H new ATOM 0 HB VAL A 17 6.810 -3.045 -5.131 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.834 -3.586 -3.731 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.612 -4.116 -5.415 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.003 -5.307 -4.151 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.236 -3.472 -2.702 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.570 -5.183 -3.060 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.643 -3.914 -3.698 1.00 10.54 H new ATOM 287 N GLU A 18 9.107 -3.550 -6.437 1.00 7.29 N ATOM 288 CA GLU A 18 10.453 -3.097 -6.458 1.00 7.08 C ATOM 289 C GLU A 18 10.522 -1.843 -5.685 1.00 6.45 C ATOM 290 O GLU A 18 9.500 -1.130 -5.643 1.00 5.28 O ATOM 291 CB GLU A 18 10.978 -2.840 -7.948 1.00 10.28 C ATOM 292 CG GLU A 18 10.166 -1.895 -8.959 1.00 12.65 C ATOM 293 CD GLU A 18 10.331 -2.217 -10.409 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.372 -1.906 -11.029 1.00 14.33 O ATOM 295 OE2 GLU A 18 9.415 -2.892 -10.967 1.00 18.17 O ATOM 0 H GLU A 18 8.437 -2.838 -6.728 1.00 7.29 H new ATOM 0 HA GLU A 18 11.090 -3.867 -6.022 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.984 -2.429 -7.865 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.070 -3.815 -8.427 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.106 -1.951 -8.710 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.478 -0.863 -8.795 1.00 12.65 H new ATOM 302 N PRO A 19 11.529 -1.432 -4.936 1.00 7.24 N ATOM 303 CA PRO A 19 11.400 -0.206 -4.076 1.00 7.07 C ATOM 304 C PRO A 19 11.389 1.124 -4.778 1.00 6.65 C ATOM 305 O PRO A 19 10.914 2.050 -4.225 1.00 6.37 O ATOM 306 CB PRO A 19 12.612 -0.399 -3.157 1.00 7.61 C ATOM 307 CG PRO A 19 13.563 -1.361 -3.854 1.00 8.16 C ATOM 308 CD PRO A 19 12.643 -2.287 -4.555 1.00 7.49 C ATOM 0 HA PRO A 19 10.429 -0.142 -3.585 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.104 0.555 -2.965 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.302 -0.798 -2.191 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.223 -0.843 -4.550 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.200 -1.886 -3.142 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.117 -2.741 -5.425 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.321 -3.101 -3.906 1.00 7.49 H new ATOM 316 N SER A 20 11.871 1.201 -6.000 1.00 6.80 N ATOM 317 CA SER A 20 11.723 2.468 -6.774 1.00 6.28 C ATOM 318 C SER A 20 10.336 2.532 -7.527 1.00 8.45 C ATOM 319 O SER A 20 10.360 3.117 -8.624 1.00 7.26 O ATOM 320 CB SER A 20 12.696 2.611 -7.930 1.00 8.57 C ATOM 321 OG SER A 20 14.014 2.431 -7.517 1.00 11.13 O ATOM 0 H SER A 20 12.355 0.446 -6.486 1.00 6.80 H new ATOM 0 HA SER A 20 11.870 3.229 -6.007 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.454 1.881 -8.703 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.586 3.598 -8.378 1.00 8.57 H new ATOM 0 HG SER A 20 14.614 2.528 -8.286 1.00 11.13 H new ATOM 327 N ASP A 21 9.260 1.927 -6.996 1.00 7.50 N ATOM 328 CA ASP A 21 7.897 2.005 -7.563 1.00 7.70 C ATOM 329 C ASP A 21 7.158 2.942 -6.686 1.00 7.08 C ATOM 330 O ASP A 21 7.555 3.221 -5.584 1.00 8.11 O ATOM 331 CB ASP A 21 7.212 0.625 -7.610 1.00 11.00 C ATOM 332 CG ASP A 21 6.299 0.398 -8.798 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.106 1.334 -9.635 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.709 -0.666 -8.912 1.00 14.36 O ATOM 0 H ASP A 21 9.310 1.361 -6.149 1.00 7.50 H new ATOM 0 HA ASP A 21 7.920 2.350 -8.597 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.983 -0.146 -7.612 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.632 0.494 -6.696 1.00 11.00 H new ATOM 339 N THR A 22 6.141 3.491 -7.243 1.00 5.37 N ATOM 340 CA THR A 22 5.377 4.417 -6.501 1.00 6.01 C ATOM 341 C THR A 22 4.125 3.743 -5.894 1.00 8.01 C ATOM 342 O THR A 22 3.664 2.739 -6.359 1.00 8.11 O ATOM 343 CB THR A 22 4.857 5.673 -7.209 1.00 8.92 C ATOM 344 OG1 THR A 22 4.009 5.446 -8.277 1.00 10.22 O ATOM 345 CG2 THR A 22 6.106 6.383 -7.736 1.00 9.65 C ATOM 0 H THR A 22 5.824 3.317 -8.197 1.00 5.37 H new ATOM 0 HA THR A 22 6.119 4.750 -5.775 1.00 6.01 H new ATOM 0 HB THR A 22 4.264 6.241 -6.493 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.730 6.303 -8.661 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.814 7.295 -8.257 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.760 6.636 -6.902 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.635 5.725 -8.425 1.00 9.65 H new ATOM 353 N ILE A 23 3.640 4.391 -4.817 1.00 8.32 N ATOM 354 CA ILE A 23 2.588 3.963 -3.921 1.00 9.92 C ATOM 355 C ILE A 23 1.369 3.745 -4.709 1.00 10.01 C ATOM 356 O ILE A 23 0.599 2.818 -4.487 1.00 8.71 O ATOM 357 CB ILE A 23 2.383 4.844 -2.721 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.687 4.862 -1.791 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.082 4.471 -2.043 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.979 3.515 -1.149 1.00 12.30 C ATOM 0 H ILE A 23 4.015 5.299 -4.543 1.00 8.32 H new ATOM 0 HA ILE A 23 2.895 3.023 -3.463 1.00 9.92 H new ATOM 0 HB ILE A 23 2.267 5.888 -3.013 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.547 5.168 -2.387 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.558 5.610 -1.009 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.930 5.108 -1.172 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.256 4.607 -2.741 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.122 3.428 -1.727 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.874 3.593 -0.532 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.134 3.217 -0.528 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.138 2.768 -1.927 1.00 12.30 H new ATOM 372 N GLU A 24 1.233 4.606 -5.753 1.00 9.54 N ATOM 373 CA GLU A 24 0.098 4.575 -6.731 1.00 11.81 C ATOM 374 C GLU A 24 0.138 3.273 -7.572 1.00 11.14 C ATOM 375 O GLU A 24 -0.881 2.606 -7.791 1.00 10.62 O ATOM 376 CB GLU A 24 0.242 5.878 -7.588 1.00 19.24 C ATOM 377 CG GLU A 24 -0.900 6.054 -8.589 1.00 27.76 C ATOM 378 CD GLU A 24 -0.877 7.376 -9.371 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.082 7.509 -10.181 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.736 8.290 -9.246 1.00 36.51 O ATOM 0 H GLU A 24 1.908 5.346 -5.945 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.877 4.561 -6.244 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.275 6.742 -6.925 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.190 5.852 -8.125 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.871 5.228 -9.300 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.847 5.982 -8.054 1.00 27.76 H new ATOM 387 N ASN A 25 1.395 2.831 -7.955 1.00 9.43 N ATOM 388 CA ASN A 25 1.501 1.632 -8.761 1.00 10.96 C ATOM 389 C ASN A 25 1.349 0.338 -7.861 1.00 9.68 C ATOM 390 O ASN A 25 0.861 -0.717 -8.264 1.00 9.33 O ATOM 391 CB ASN A 25 2.897 1.652 -9.453 1.00 16.78 C ATOM 392 CG ASN A 25 3.027 2.811 -10.419 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.168 3.571 -10.831 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.290 2.973 -10.847 1.00 24.70 N ATOM 0 H ASN A 25 2.278 3.283 -7.716 1.00 9.43 H new ATOM 0 HA ASN A 25 0.706 1.606 -9.506 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.678 1.720 -8.695 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.052 0.714 -9.987 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.514 3.721 -11.504 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.025 2.348 -10.515 1.00 24.70 H new ATOM 401 N VAL A 26 1.729 0.480 -6.565 1.00 6.52 N ATOM 402 CA VAL A 26 1.485 -0.566 -5.561 1.00 5.53 C ATOM 403 C VAL A 26 -0.020 -0.649 -5.362 1.00 4.42 C ATOM 404 O VAL A 26 -0.573 -1.720 -5.211 1.00 3.40 O ATOM 405 CB VAL A 26 2.201 -0.322 -4.249 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.057 -1.475 -3.255 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.629 0.038 -4.474 1.00 8.12 C ATOM 0 H VAL A 26 2.202 1.307 -6.201 1.00 6.52 H new ATOM 0 HA VAL A 26 1.890 -1.510 -5.924 1.00 5.53 H new ATOM 0 HB VAL A 26 1.705 0.530 -3.784 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.594 -1.234 -2.338 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.002 -1.630 -3.028 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.472 -2.384 -3.690 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.117 0.207 -3.514 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.131 -0.775 -4.998 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.685 0.946 -5.075 1.00 8.12 H new ATOM 417 N LYS A 27 -0.710 0.478 -5.344 1.00 2.64 N ATOM 418 CA LYS A 27 -2.189 0.388 -5.210 1.00 4.14 C ATOM 419 C LYS A 27 -2.998 -0.149 -6.409 1.00 5.58 C ATOM 420 O LYS A 27 -4.099 -0.672 -6.292 1.00 4.11 O ATOM 421 CB LYS A 27 -2.910 1.761 -4.882 1.00 3.97 C ATOM 422 CG LYS A 27 -2.528 2.315 -3.467 1.00 7.45 C ATOM 423 CD LYS A 27 -3.218 3.728 -3.135 1.00 9.02 C ATOM 424 CE LYS A 27 -2.838 4.245 -1.733 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.365 5.667 -1.536 1.00 15.47 N ATOM 0 H LYS A 27 -0.321 1.418 -5.414 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.207 -0.330 -4.390 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.645 2.497 -5.641 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.990 1.623 -4.935 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.819 1.588 -2.708 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.445 2.423 -3.406 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.920 4.461 -3.884 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.301 3.626 -3.202 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.252 3.586 -0.970 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.755 4.231 -1.613 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.796 6.151 -0.813 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.301 6.189 -2.433 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.358 5.630 -1.228 1.00 15.47 H new ATOM 439 N ALA A 28 -2.391 0.020 -7.602 1.00 6.61 N ATOM 440 CA ALA A 28 -2.829 -0.766 -8.753 1.00 7.74 C ATOM 441 C ALA A 28 -2.599 -2.266 -8.708 1.00 9.17 C ATOM 442 O ALA A 28 -3.496 -3.057 -9.035 1.00 11.45 O ATOM 443 CB ALA A 28 -2.040 -0.123 -9.937 1.00 7.68 C ATOM 0 H ALA A 28 -1.626 0.670 -7.782 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.916 -0.723 -8.820 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.292 -0.638 -10.864 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.307 0.930 -10.023 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.970 -0.212 -9.752 1.00 7.68 H new ATOM 449 N LYS A 29 -1.464 -2.657 -8.156 1.00 8.96 N ATOM 450 CA LYS A 29 -1.164 -4.039 -7.846 1.00 7.90 C ATOM 451 C LYS A 29 -2.139 -4.743 -6.853 1.00 6.92 C ATOM 452 O LYS A 29 -2.586 -5.847 -7.147 1.00 6.87 O ATOM 453 CB LYS A 29 0.362 -4.204 -7.601 1.00 10.28 C ATOM 454 CG LYS A 29 0.785 -5.641 -7.439 1.00 14.94 C ATOM 455 CD LYS A 29 2.310 -5.821 -7.319 1.00 19.69 C ATOM 456 CE LYS A 29 3.109 -5.336 -8.510 1.00 22.63 C ATOM 457 NZ LYS A 29 3.048 -6.323 -9.612 1.00 24.98 N ATOM 0 H LYS A 29 -0.715 -2.011 -7.908 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.391 -4.641 -8.726 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.907 -3.763 -8.436 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.642 -3.646 -6.707 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.307 -6.055 -6.551 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.425 -6.216 -8.292 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.654 -5.292 -6.430 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.524 -6.878 -7.163 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.719 -4.377 -8.851 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.146 -5.172 -8.217 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.601 -5.975 -10.421 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.441 -7.230 -9.288 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.059 -6.459 -9.902 1.00 24.98 H new ATOM 471 N ILE A 30 -2.497 -4.016 -5.779 1.00 4.57 N ATOM 472 CA ILE A 30 -3.515 -4.447 -4.788 1.00 5.58 C ATOM 473 C ILE A 30 -4.870 -4.690 -5.502 1.00 7.26 C ATOM 474 O ILE A 30 -5.631 -5.581 -5.165 1.00 9.46 O ATOM 475 CB ILE A 30 -3.612 -3.509 -3.609 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.300 -3.640 -2.857 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.749 -3.905 -2.630 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.936 -2.551 -1.767 1.00 2.00 C ATOM 0 H ILE A 30 -2.088 -3.106 -5.568 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.198 -5.395 -4.352 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.817 -2.501 -3.970 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.296 -4.613 -2.366 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.497 -3.652 -3.594 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.777 -3.199 -1.800 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.704 -3.885 -3.155 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.566 -4.909 -2.247 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.969 -2.789 -1.324 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.888 -1.568 -2.236 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.700 -2.545 -0.990 1.00 2.00 H new ATOM 490 N GLN A 31 -5.286 -3.824 -6.433 1.00 7.06 N ATOM 491 CA GLN A 31 -6.563 -3.796 -7.160 1.00 8.67 C ATOM 492 C GLN A 31 -6.676 -5.065 -8.064 1.00 10.90 C ATOM 493 O GLN A 31 -7.702 -5.792 -8.139 1.00 9.63 O ATOM 494 CB GLN A 31 -6.740 -2.530 -8.105 1.00 9.12 C ATOM 495 CG GLN A 31 -8.154 -2.470 -8.803 1.00 10.76 C ATOM 496 CD GLN A 31 -8.307 -1.256 -9.719 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.339 -0.622 -10.073 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.592 -1.019 -10.202 1.00 14.76 N ATOM 0 H GLN A 31 -4.683 -3.054 -6.724 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.337 -3.756 -6.394 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.592 -1.623 -7.519 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.964 -2.544 -8.870 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.307 -3.380 -9.383 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.931 -2.444 -8.039 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.374 -1.584 -9.870 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.751 -0.281 -10.888 1.00 14.76 H new ATOM 507 N ASP A 32 -5.593 -5.360 -8.752 1.00 10.93 N ATOM 508 CA ASP A 32 -5.480 -6.612 -9.483 1.00 14.01 C ATOM 509 C ASP A 32 -5.505 -7.876 -8.506 1.00 14.04 C ATOM 510 O ASP A 32 -6.253 -8.819 -8.793 1.00 13.39 O ATOM 511 CB ASP A 32 -4.246 -6.485 -10.345 1.00 18.01 C ATOM 512 CG ASP A 32 -3.824 -7.762 -11.093 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.048 -8.647 -10.559 1.00 26.29 O ATOM 514 OD2 ASP A 32 -4.389 -7.931 -12.182 1.00 25.17 O ATOM 0 H ASP A 32 -4.777 -4.752 -8.823 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.339 -6.795 -10.128 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.416 -5.696 -11.077 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.416 -6.163 -9.716 1.00 18.01 H new ATOM 519 N LYS A 33 -4.852 -7.761 -7.334 1.00 14.22 N ATOM 520 CA LYS A 33 -4.701 -8.789 -6.350 1.00 14.00 C ATOM 521 C LYS A 33 -6.002 -9.107 -5.590 1.00 12.37 C ATOM 522 O LYS A 33 -6.511 -10.218 -5.592 1.00 12.17 O ATOM 523 CB LYS A 33 -3.521 -8.332 -5.411 1.00 18.62 C ATOM 524 CG LYS A 33 -3.160 -9.266 -4.220 1.00 24.00 C ATOM 525 CD LYS A 33 -2.705 -10.701 -4.549 1.00 27.61 C ATOM 526 CE LYS A 33 -1.667 -10.834 -5.648 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.409 -12.211 -5.849 1.00 30.06 N ATOM 0 H LYS A 33 -4.399 -6.890 -7.056 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.462 -9.740 -6.826 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.629 -8.207 -6.025 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.770 -7.351 -5.008 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.368 -8.786 -3.645 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.031 -9.331 -3.569 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.304 -11.151 -3.641 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.582 -11.283 -4.832 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -2.028 -10.377 -6.569 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.751 -10.312 -5.371 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.699 -12.325 -6.600 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.051 -12.629 -4.967 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.288 -12.692 -6.128 1.00 30.06 H new ATOM 541 N GLU A 34 -6.617 -8.114 -4.968 1.00 10.11 N ATOM 542 CA GLU A 34 -7.704 -8.243 -3.989 1.00 10.07 C ATOM 543 C GLU A 34 -8.938 -7.457 -4.446 1.00 9.32 C ATOM 544 O GLU A 34 -9.956 -7.474 -3.748 1.00 11.61 O ATOM 545 CB GLU A 34 -7.338 -7.647 -2.649 1.00 14.77 C ATOM 546 CG GLU A 34 -6.406 -8.535 -1.766 1.00 18.75 C ATOM 547 CD GLU A 34 -7.029 -9.763 -1.255 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.035 -9.814 -0.479 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.519 -10.830 -1.682 1.00 25.19 O ATOM 0 H GLU A 34 -6.363 -7.140 -5.136 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.895 -9.313 -3.905 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.849 -6.687 -2.816 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.255 -7.445 -2.095 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.526 -8.806 -2.350 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.057 -7.942 -0.920 1.00 18.75 H new ATOM 556 N GLY A 35 -8.996 -6.837 -5.643 1.00 7.22 N ATOM 557 CA GLY A 35 -10.189 -6.223 -6.223 1.00 6.29 C ATOM 558 C GLY A 35 -10.629 -4.948 -5.680 1.00 6.93 C ATOM 559 O GLY A 35 -11.577 -4.323 -6.087 1.00 7.41 O ATOM 0 H GLY A 35 -8.179 -6.752 -6.247 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.011 -6.089 -7.290 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.012 -6.931 -6.123 1.00 6.29 H new ATOM 563 N ILE A 36 -9.894 -4.360 -4.696 1.00 5.86 N ATOM 564 CA ILE A 36 -10.160 -3.129 -3.972 1.00 6.07 C ATOM 565 C ILE A 36 -9.809 -1.919 -4.889 1.00 6.36 C ATOM 566 O ILE A 36 -8.689 -1.816 -5.408 1.00 6.18 O ATOM 567 CB ILE A 36 -9.472 -3.050 -2.607 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.805 -4.330 -1.766 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.909 -1.739 -1.933 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.776 -4.502 -0.611 1.00 9.49 C ATOM 0 H ILE A 36 -9.027 -4.791 -4.376 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.223 -3.105 -3.730 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.386 -3.032 -2.702 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.812 -4.252 -1.356 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.790 -5.210 -2.409 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.433 -1.656 -0.956 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.612 -0.894 -2.554 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.992 -1.736 -1.810 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.020 -5.395 -0.036 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.774 -4.602 -1.028 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.812 -3.629 0.041 1.00 9.49 H new ATOM 582 N PRO A 37 -10.702 -0.919 -5.086 1.00 8.65 N ATOM 583 CA PRO A 37 -10.293 0.274 -5.788 1.00 9.18 C ATOM 584 C PRO A 37 -9.152 1.061 -5.128 1.00 9.85 C ATOM 585 O PRO A 37 -9.168 1.193 -3.922 1.00 8.51 O ATOM 586 CB PRO A 37 -11.614 1.152 -5.775 1.00 11.42 C ATOM 587 CG PRO A 37 -12.731 0.160 -5.680 1.00 9.27 C ATOM 588 CD PRO A 37 -12.137 -0.933 -4.794 1.00 8.33 C ATOM 0 HA PRO A 37 -9.897 0.019 -6.771 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.623 1.840 -4.930 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.697 1.756 -6.679 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.625 0.599 -5.237 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.016 -0.224 -6.660 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.327 -0.733 -3.740 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.576 -1.905 -5.018 1.00 8.33 H new ATOM 596 N PRO A 38 -8.185 1.644 -5.842 1.00 8.71 N ATOM 597 CA PRO A 38 -7.152 2.461 -5.296 1.00 9.08 C ATOM 598 C PRO A 38 -7.550 3.623 -4.367 1.00 9.28 C ATOM 599 O PRO A 38 -6.838 4.122 -3.481 1.00 6.50 O ATOM 600 CB PRO A 38 -6.321 2.960 -6.510 1.00 10.31 C ATOM 601 CG PRO A 38 -6.484 1.846 -7.493 1.00 10.81 C ATOM 602 CD PRO A 38 -7.848 1.273 -7.174 1.00 12.00 C ATOM 0 HA PRO A 38 -6.595 1.836 -4.598 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.700 3.904 -6.900 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.275 3.120 -6.248 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.434 2.209 -8.520 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.700 1.097 -7.381 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.593 1.652 -7.874 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.838 0.188 -7.275 1.00 12.00 H new ATOM 610 N ASP A 39 -8.726 4.202 -4.622 1.00 11.20 N ATOM 611 CA ASP A 39 -9.297 5.298 -3.881 1.00 14.96 C ATOM 612 C ASP A 39 -9.880 4.879 -2.591 1.00 13.99 C ATOM 613 O ASP A 39 -10.151 5.702 -1.718 1.00 13.75 O ATOM 614 CB ASP A 39 -10.512 5.935 -4.636 1.00 24.16 C ATOM 615 CG ASP A 39 -10.038 6.609 -5.903 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.496 7.734 -5.923 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.165 5.904 -6.943 1.00 34.22 O ATOM 0 H ASP A 39 -9.324 3.895 -5.390 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.462 5.986 -3.749 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.245 5.165 -4.876 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.010 6.660 -3.993 1.00 24.16 H new ATOM 622 N GLN A 40 -10.167 3.575 -2.451 1.00 11.60 N ATOM 623 CA GLN A 40 -10.648 3.028 -1.246 1.00 10.76 C ATOM 624 C GLN A 40 -9.534 2.476 -0.499 1.00 8.01 C ATOM 625 O GLN A 40 -9.786 1.881 0.516 1.00 8.96 O ATOM 626 CB GLN A 40 -11.740 1.915 -1.458 1.00 11.14 C ATOM 627 CG GLN A 40 -12.992 2.398 -2.224 1.00 14.85 C ATOM 628 CD GLN A 40 -14.271 1.703 -1.764 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.676 0.840 -2.539 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.841 2.100 -0.614 1.00 18.16 N ATOM 0 H GLN A 40 -10.058 2.892 -3.201 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.129 3.837 -0.696 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.294 1.082 -2.001 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.048 1.533 -0.485 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.101 3.474 -2.091 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.851 2.221 -3.290 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.404 2.832 -0.054 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.711 1.669 -0.301 1.00 18.16 H new ATOM 639 N GLN A 41 -8.263 2.760 -0.849 1.00 6.52 N ATOM 640 CA GLN A 41 -7.143 2.223 -0.083 1.00 3.87 C ATOM 641 C GLN A 41 -6.284 3.341 0.575 1.00 4.79 C ATOM 642 O GLN A 41 -5.666 4.180 -0.068 1.00 6.34 O ATOM 643 CB GLN A 41 -6.073 1.408 -0.901 1.00 4.20 C ATOM 644 CG GLN A 41 -6.565 0.053 -1.489 1.00 3.20 C ATOM 645 CD GLN A 41 -5.657 -0.494 -2.531 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.441 -0.579 -2.356 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.177 -0.910 -3.713 1.00 7.13 N ATOM 0 H GLN A 41 -8.000 3.346 -1.641 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.669 1.579 0.621 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.717 2.031 -1.721 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.218 1.214 -0.254 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.661 -0.673 -0.682 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.559 0.188 -1.916 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.182 -0.848 -3.878 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.563 -1.285 -4.437 1.00 7.13 H new ATOM 656 N ARG A 42 -6.195 3.216 1.887 1.00 5.73 N ATOM 657 CA ARG A 42 -5.274 3.940 2.684 1.00 6.97 C ATOM 658 C ARG A 42 -4.232 2.953 3.214 1.00 7.15 C ATOM 659 O ARG A 42 -4.591 1.917 3.776 1.00 7.33 O ATOM 660 CB ARG A 42 -5.953 4.750 3.773 1.00 13.23 C ATOM 661 CG ARG A 42 -6.659 5.933 3.199 1.00 21.27 C ATOM 662 CD ARG A 42 -7.466 6.661 4.323 1.00 26.14 C ATOM 663 NE ARG A 42 -7.804 8.068 3.856 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.692 8.905 4.420 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.342 8.648 5.556 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.847 10.156 3.917 1.00 36.39 N ATOM 0 H ARG A 42 -6.788 2.584 2.425 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.770 4.693 2.077 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.665 4.122 4.308 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.212 5.082 4.500 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.938 6.618 2.754 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.332 5.616 2.402 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.379 6.110 4.549 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.881 6.699 5.242 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.308 8.411 3.033 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.177 7.771 6.051 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.004 9.328 5.930 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.292 10.456 3.116 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.519 10.796 4.340 1.00 36.39 H new ATOM 680 N LEU A 43 -2.918 3.223 2.918 1.00 4.65 N ATOM 681 CA LEU A 43 -1.835 2.455 3.296 1.00 3.51 C ATOM 682 C LEU A 43 -1.035 3.145 4.347 1.00 5.56 C ATOM 683 O LEU A 43 -0.565 4.275 4.141 1.00 4.19 O ATOM 684 CB LEU A 43 -0.934 2.005 2.047 1.00 3.74 C ATOM 685 CG LEU A 43 -1.640 1.137 1.064 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.783 1.051 -0.277 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.987 -0.223 1.600 1.00 6.41 C ATOM 0 H LEU A 43 -2.645 4.043 2.377 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.226 1.534 3.728 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.574 2.897 1.534 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.057 1.475 2.419 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.602 1.601 0.848 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.298 0.416 -0.998 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.661 2.050 -0.695 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.197 0.628 -0.056 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.499 -0.798 0.829 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.075 -0.742 1.894 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.640 -0.117 2.467 1.00 6.41 H new ATOM 699 N ILE A 44 -0.852 2.505 5.525 1.00 4.58 N ATOM 700 CA ILE A 44 -0.015 3.100 6.595 1.00 5.55 C ATOM 701 C ILE A 44 1.184 2.241 6.850 1.00 5.46 C ATOM 702 O ILE A 44 1.196 1.058 6.837 1.00 6.04 O ATOM 703 CB ILE A 44 -0.823 3.204 7.828 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.313 3.537 7.581 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.048 4.147 8.761 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.140 3.761 8.841 1.00 13.90 C ATOM 0 H ILE A 44 -1.261 1.600 5.757 1.00 4.58 H new ATOM 0 HA ILE A 44 0.324 4.089 6.285 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.935 2.238 8.320 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.372 4.432 6.962 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.762 2.724 7.010 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.596 4.266 9.696 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.936 3.726 8.968 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.067 5.119 8.282 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.170 3.988 8.565 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.119 2.860 9.455 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.724 4.595 9.406 1.00 13.90 H new ATOM 718 N PHE A 45 2.351 2.909 7.063 1.00 6.75 N ATOM 719 CA PHE A 45 3.559 2.345 7.343 1.00 4.70 C ATOM 720 C PHE A 45 4.408 3.367 8.138 1.00 6.34 C ATOM 721 O PHE A 45 4.569 4.515 7.804 1.00 5.45 O ATOM 722 CB PHE A 45 4.370 1.841 6.077 1.00 5.51 C ATOM 723 CG PHE A 45 5.719 1.331 6.399 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.956 0.070 6.843 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.779 2.211 6.171 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.263 -0.360 7.231 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.092 1.804 6.445 1.00 6.64 C ATOM 728 CZ PHE A 45 8.329 0.518 6.970 1.00 6.84 C ATOM 0 H PHE A 45 2.399 3.927 7.025 1.00 6.75 H new ATOM 0 HA PHE A 45 3.354 1.447 7.925 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.802 1.053 5.583 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.462 2.662 5.365 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.134 -0.628 6.905 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.588 3.201 5.785 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.424 -1.317 7.704 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.918 2.473 6.255 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.342 0.203 7.174 1.00 6.84 H new ATOM 738 N ALA A 46 4.932 2.933 9.298 1.00 6.53 N ATOM 739 CA ALA A 46 5.873 3.679 10.115 1.00 7.15 C ATOM 740 C ALA A 46 5.237 4.949 10.683 1.00 9.00 C ATOM 741 O ALA A 46 5.800 6.029 10.720 1.00 11.15 O ATOM 742 CB ALA A 46 7.209 3.869 9.382 1.00 8.99 C ATOM 0 H ALA A 46 4.697 2.023 9.695 1.00 6.53 H new ATOM 0 HA ALA A 46 6.129 3.096 11.000 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.895 4.431 10.016 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.641 2.894 9.154 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.041 4.417 8.455 1.00 8.99 H new ATOM 748 N GLY A 47 3.982 4.878 10.909 1.00 9.35 N ATOM 749 CA GLY A 47 3.229 5.981 11.371 1.00 11.68 C ATOM 750 C GLY A 47 2.804 6.983 10.362 1.00 11.14 C ATOM 751 O GLY A 47 2.143 7.983 10.552 1.00 13.93 O ATOM 0 H GLY A 47 3.433 4.029 10.775 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.335 5.597 11.863 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.816 6.496 12.132 1.00 11.68 H new ATOM 755 N LYS A 48 3.130 6.742 9.061 1.00 10.47 N ATOM 756 CA LYS A 48 2.898 7.625 7.997 1.00 8.82 C ATOM 757 C LYS A 48 1.789 6.980 7.048 1.00 7.68 C ATOM 758 O LYS A 48 1.822 5.872 6.612 1.00 6.47 O ATOM 759 CB LYS A 48 4.138 7.921 7.165 1.00 9.74 C ATOM 760 CG LYS A 48 5.093 8.699 8.074 1.00 14.14 C ATOM 761 CD LYS A 48 6.427 8.648 7.308 1.00 16.32 C ATOM 762 CE LYS A 48 7.636 9.160 8.129 1.00 20.04 C ATOM 763 NZ LYS A 48 8.826 8.993 7.338 1.00 23.92 N ATOM 0 H LYS A 48 3.579 5.875 8.765 1.00 10.47 H new ATOM 0 HA LYS A 48 2.576 8.573 8.429 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.600 6.998 6.815 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.882 8.504 6.281 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.756 9.724 8.229 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.176 8.239 9.059 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.619 7.621 6.998 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.337 9.244 6.400 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.499 10.209 8.391 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.721 8.606 9.064 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.650 9.332 7.874 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.952 7.986 7.109 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.737 9.540 6.458 1.00 23.92 H new ATOM 777 N GLN A 49 0.699 7.702 6.804 1.00 8.89 N ATOM 778 CA GLN A 49 -0.246 7.294 5.768 1.00 7.18 C ATOM 779 C GLN A 49 0.229 7.717 4.374 1.00 8.23 C ATOM 780 O GLN A 49 0.464 8.900 4.046 1.00 9.70 O ATOM 781 CB GLN A 49 -1.651 7.783 6.001 1.00 11.67 C ATOM 782 CG GLN A 49 -2.593 7.303 4.852 1.00 15.82 C ATOM 783 CD GLN A 49 -3.996 7.705 5.218 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.625 7.161 6.130 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.567 8.680 4.537 1.00 20.67 N ATOM 0 H GLN A 49 0.450 8.558 7.300 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.276 6.206 5.824 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.017 7.413 6.959 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.659 8.872 6.056 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.301 7.753 3.903 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.524 6.222 4.726 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.059 9.139 3.781 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.516 8.975 4.767 1.00 20.67 H new ATOM 794 N LEU A 50 0.527 6.745 3.538 1.00 6.51 N ATOM 795 CA LEU A 50 1.481 6.928 2.487 1.00 7.41 C ATOM 796 C LEU A 50 0.875 7.549 1.266 1.00 8.27 C ATOM 797 O LEU A 50 -0.206 7.159 0.859 1.00 8.34 O ATOM 798 CB LEU A 50 2.104 5.556 2.024 1.00 7.13 C ATOM 799 CG LEU A 50 2.700 4.708 3.147 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.868 3.217 2.758 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.904 5.327 3.851 1.00 9.11 C ATOM 0 H LEU A 50 0.112 5.814 3.575 1.00 6.51 H new ATOM 0 HA LEU A 50 2.242 7.585 2.909 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.332 4.975 1.520 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.883 5.757 1.288 1.00 7.13 H new ATOM 0 HG LEU A 50 1.942 4.710 3.930 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.296 2.668 3.597 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.895 2.795 2.506 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.532 3.138 1.897 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.256 4.652 4.631 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.702 5.494 3.128 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.615 6.278 4.298 1.00 9.11 H new ATOM 813 N GLU A 51 1.571 8.567 0.715 1.00 9.43 N ATOM 814 CA GLU A 51 0.986 9.299 -0.365 1.00 11.90 C ATOM 815 C GLU A 51 1.421 8.812 -1.739 1.00 11.49 C ATOM 816 O GLU A 51 2.585 8.476 -1.936 1.00 9.88 O ATOM 817 CB GLU A 51 1.439 10.808 -0.180 1.00 16.56 C ATOM 818 CG GLU A 51 0.852 11.435 1.034 1.00 26.06 C ATOM 819 CD GLU A 51 -0.640 11.733 0.847 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.195 11.560 -0.258 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.244 12.170 1.882 1.00 32.13 O ATOM 0 H GLU A 51 2.500 8.872 1.004 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.095 9.168 -0.331 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.526 10.852 -0.118 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.146 11.382 -1.059 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.987 10.772 1.889 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.383 12.360 1.260 1.00 26.06 H new ATOM 828 N ASP A 52 0.441 8.754 -2.703 1.00 12.71 N ATOM 829 CA ASP A 52 0.374 8.012 -3.970 1.00 16.56 C ATOM 830 C ASP A 52 1.599 8.185 -4.862 1.00 15.83 C ATOM 831 O ASP A 52 2.266 7.278 -5.378 1.00 17.21 O ATOM 832 CB ASP A 52 -0.898 8.466 -4.749 1.00 21.05 C ATOM 833 CG ASP A 52 -2.131 8.318 -3.858 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.455 7.223 -3.345 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.717 9.353 -3.463 1.00 25.82 O ATOM 0 H ASP A 52 -0.412 9.298 -2.575 1.00 12.71 H new ATOM 0 HA ASP A 52 0.336 6.954 -3.711 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.790 9.503 -5.067 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.016 7.867 -5.652 1.00 21.05 H new ATOM 840 N GLY A 53 2.049 9.406 -5.142 1.00 15.00 N ATOM 841 CA GLY A 53 3.139 9.642 -6.109 1.00 11.77 C ATOM 842 C GLY A 53 4.523 9.544 -5.573 1.00 11.10 C ATOM 843 O GLY A 53 5.498 9.742 -6.310 1.00 11.25 O ATOM 0 H GLY A 53 1.679 10.256 -4.715 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.035 8.926 -6.924 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.007 10.635 -6.539 1.00 11.77 H new ATOM 847 N ARG A 54 4.700 9.304 -4.296 1.00 8.53 N ATOM 848 CA ARG A 54 5.950 8.881 -3.605 1.00 9.05 C ATOM 849 C ARG A 54 6.298 7.375 -3.768 1.00 8.96 C ATOM 850 O ARG A 54 5.529 6.451 -4.071 1.00 11.60 O ATOM 851 CB ARG A 54 5.941 9.307 -2.124 1.00 7.97 C ATOM 852 CG ARG A 54 6.002 10.862 -2.142 1.00 9.62 C ATOM 853 CD ARG A 54 6.063 11.448 -0.748 1.00 12.20 C ATOM 854 NE ARG A 54 6.318 12.912 -0.848 1.00 18.23 N ATOM 855 CZ ARG A 54 7.492 13.501 -1.041 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.686 12.864 -0.965 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.473 14.851 -1.057 1.00 23.38 N ATOM 0 H ARG A 54 3.927 9.400 -3.638 1.00 8.53 H new ATOM 0 HA ARG A 54 6.755 9.411 -4.114 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.041 8.955 -1.619 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.792 8.886 -1.589 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.877 11.183 -2.708 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.126 11.252 -2.660 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.127 11.264 -0.221 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.853 10.967 -0.172 1.00 12.20 H new ATOM 0 HE ARG A 54 5.508 13.525 -0.759 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.720 11.868 -0.747 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.551 13.381 -1.125 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.593 15.350 -0.926 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.338 15.372 -1.200 1.00 23.38 H new ATOM 871 N THR A 55 7.627 7.113 -3.667 1.00 9.05 N ATOM 872 CA THR A 55 8.207 5.770 -3.746 1.00 9.03 C ATOM 873 C THR A 55 8.006 4.892 -2.512 1.00 8.15 C ATOM 874 O THR A 55 7.584 5.401 -1.544 1.00 5.91 O ATOM 875 CB THR A 55 9.646 5.605 -4.219 1.00 11.15 C ATOM 876 OG1 THR A 55 10.601 6.322 -3.440 1.00 11.95 O ATOM 877 CG2 THR A 55 9.810 6.085 -5.680 1.00 11.71 C ATOM 0 H THR A 55 8.324 7.845 -3.527 1.00 9.05 H new ATOM 0 HA THR A 55 7.584 5.421 -4.570 1.00 9.03 H new ATOM 0 HB THR A 55 9.841 4.537 -4.117 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.416 5.785 -3.346 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.847 5.956 -5.991 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.160 5.500 -6.330 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.539 7.138 -5.749 1.00 11.71 H new ATOM 885 N LEU A 56 8.262 3.556 -2.599 1.00 6.91 N ATOM 886 CA LEU A 56 8.396 2.620 -1.500 1.00 8.29 C ATOM 887 C LEU A 56 9.773 2.925 -0.729 1.00 8.05 C ATOM 888 O LEU A 56 9.821 2.963 0.526 1.00 10.17 O ATOM 889 CB LEU A 56 8.277 1.156 -1.914 1.00 6.60 C ATOM 890 CG LEU A 56 6.884 0.660 -2.296 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.077 -0.664 -3.001 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.972 0.517 -1.152 1.00 8.64 C ATOM 0 H LEU A 56 8.384 3.100 -3.503 1.00 6.91 H new ATOM 0 HA LEU A 56 7.554 2.772 -0.825 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.942 0.987 -2.761 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.644 0.540 -1.093 1.00 6.60 H new ATOM 0 HG LEU A 56 6.405 1.400 -2.938 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.107 -1.064 -3.297 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.694 -0.518 -3.887 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.569 -1.366 -2.328 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.003 0.161 -1.502 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.387 -0.199 -0.443 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.849 1.483 -0.662 1.00 8.64 H new ATOM 904 N SER A 57 10.823 3.328 -1.536 1.00 8.92 N ATOM 905 CA SER A 57 12.135 3.722 -1.121 1.00 9.00 C ATOM 906 C SER A 57 12.173 5.074 -0.278 1.00 9.44 C ATOM 907 O SER A 57 12.812 5.125 0.796 1.00 10.91 O ATOM 908 CB SER A 57 13.236 3.829 -2.270 1.00 10.32 C ATOM 909 OG SER A 57 12.835 4.636 -3.353 1.00 13.59 O ATOM 0 H SER A 57 10.719 3.372 -2.550 1.00 8.92 H new ATOM 0 HA SER A 57 12.402 2.877 -0.486 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.155 4.233 -1.846 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.466 2.829 -2.637 1.00 10.32 H new ATOM 0 HG SER A 57 13.550 4.664 -4.022 1.00 13.59 H new ATOM 915 N ASP A 58 11.414 6.143 -0.664 1.00 9.11 N ATOM 916 CA ASP A 58 11.380 7.431 0.081 1.00 7.91 C ATOM 917 C ASP A 58 10.812 7.223 1.494 1.00 9.12 C ATOM 918 O ASP A 58 11.154 7.850 2.499 1.00 8.61 O ATOM 919 CB ASP A 58 10.550 8.323 -0.853 1.00 8.41 C ATOM 920 CG ASP A 58 10.418 9.756 -0.506 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.424 10.424 -0.058 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.277 10.262 -0.729 1.00 10.05 O ATOM 0 H ASP A 58 10.817 6.133 -1.491 1.00 9.11 H new ATOM 0 HA ASP A 58 12.347 7.889 0.288 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.985 8.259 -1.850 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.547 7.900 -0.915 1.00 8.41 H new ATOM 927 N TYR A 59 9.912 6.240 1.628 1.00 7.97 N ATOM 928 CA TYR A 59 9.231 5.904 2.854 1.00 8.45 C ATOM 929 C TYR A 59 9.978 4.898 3.709 1.00 10.98 C ATOM 930 O TYR A 59 9.415 4.461 4.691 1.00 12.95 O ATOM 931 CB TYR A 59 7.765 5.519 2.484 1.00 7.94 C ATOM 932 CG TYR A 59 6.901 6.709 2.312 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.571 7.555 3.417 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.155 6.935 1.124 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.633 8.636 3.298 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.132 7.851 1.020 1.00 6.52 C ATOM 937 CZ TYR A 59 4.911 8.720 2.100 1.00 6.76 C ATOM 938 OH TYR A 59 3.969 9.732 1.991 1.00 7.63 O ATOM 0 H TYR A 59 9.638 5.643 0.847 1.00 7.97 H new ATOM 0 HA TYR A 59 9.199 6.766 3.521 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.766 4.936 1.563 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.351 4.881 3.265 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.042 7.375 4.372 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.406 6.353 0.249 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.491 9.351 4.095 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.518 7.899 0.133 1.00 6.52 H new ATOM 0 HH TYR A 59 4.418 10.575 1.771 1.00 7.63 H new ATOM 948 N ASN A 60 11.225 4.506 3.303 1.00 12.38 N ATOM 949 CA ASN A 60 12.043 3.665 4.072 1.00 13.94 C ATOM 950 C ASN A 60 11.496 2.188 4.163 1.00 14.16 C ATOM 951 O ASN A 60 11.569 1.559 5.216 1.00 14.26 O ATOM 952 CB ASN A 60 12.344 4.261 5.544 1.00 19.23 C ATOM 953 CG ASN A 60 13.013 5.621 5.417 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.417 6.594 5.878 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.231 5.633 4.834 1.00 24.09 N ATOM 0 H ASN A 60 11.645 4.795 2.419 1.00 12.38 H new ATOM 0 HA ASN A 60 12.991 3.624 3.536 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.415 4.353 6.107 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.987 3.578 6.099 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.745 6.510 4.744 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.637 4.766 4.483 1.00 24.09 H new ATOM 962 N ILE A 61 10.976 1.724 3.000 1.00 11.08 N ATOM 963 CA ILE A 61 10.409 0.406 2.870 1.00 11.78 C ATOM 964 C ILE A 61 11.389 -0.626 2.475 1.00 13.74 C ATOM 965 O ILE A 61 12.243 -0.425 1.599 1.00 14.60 O ATOM 966 CB ILE A 61 9.047 0.364 2.129 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.089 1.204 2.990 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.482 -1.070 1.994 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.771 1.570 2.205 1.00 11.42 C ATOM 0 H ILE A 61 10.949 2.271 2.140 1.00 11.08 H new ATOM 0 HA ILE A 61 10.132 0.114 3.883 1.00 11.78 H new ATOM 0 HB ILE A 61 9.165 0.742 1.113 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.833 0.652 3.894 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.591 2.119 3.306 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.528 -1.037 1.468 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.185 -1.687 1.434 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.335 -1.498 2.986 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.119 2.164 2.846 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.026 2.145 1.314 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.256 0.655 1.912 1.00 11.42 H new ATOM 981 N GLN A 62 11.269 -1.776 3.038 1.00 13.97 N ATOM 982 CA GLN A 62 12.309 -2.815 2.984 1.00 15.52 C ATOM 983 C GLN A 62 11.677 -4.225 2.776 1.00 13.94 C ATOM 984 O GLN A 62 10.442 -4.376 2.768 1.00 12.15 O ATOM 985 CB GLN A 62 13.150 -2.720 4.273 1.00 19.53 C ATOM 986 CG GLN A 62 13.965 -1.417 4.369 1.00 26.38 C ATOM 987 CD GLN A 62 14.783 -1.364 5.643 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.423 -1.964 6.666 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.829 -0.619 5.613 1.00 32.71 N ATOM 0 H GLN A 62 10.441 -2.054 3.565 1.00 13.97 H new ATOM 0 HA GLN A 62 12.965 -2.657 2.128 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.489 -2.792 5.137 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.830 -3.571 4.320 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.627 -1.337 3.507 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.290 -0.562 4.333 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.091 -0.142 4.750 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.398 -0.504 6.452 1.00 32.71 H new ATOM 998 N LYS A 63 12.509 -5.269 2.601 1.00 11.73 N ATOM 999 CA LYS A 63 11.956 -6.577 2.428 1.00 11.97 C ATOM 1000 C LYS A 63 11.322 -7.187 3.635 1.00 10.41 C ATOM 1001 O LYS A 63 11.837 -7.081 4.730 1.00 9.59 O ATOM 1002 CB LYS A 63 13.040 -7.552 1.865 1.00 13.73 C ATOM 1003 CG LYS A 63 14.296 -7.614 2.806 1.00 16.98 C ATOM 1004 CD LYS A 63 14.968 -8.978 2.601 1.00 20.19 C ATOM 1005 CE LYS A 63 15.957 -9.296 3.650 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.932 -8.220 3.848 1.00 25.97 N ATOM 0 H LYS A 63 13.527 -5.214 2.579 1.00 11.73 H new ATOM 0 HA LYS A 63 11.140 -6.430 1.720 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.614 -8.550 1.757 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.344 -7.226 0.870 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.990 -6.807 2.571 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.000 -7.486 3.847 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.203 -9.755 2.582 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.460 -8.992 1.629 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.437 -9.488 4.589 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.482 -10.213 3.383 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.715 -8.566 4.439 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.303 -7.913 2.926 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.471 -7.416 4.320 1.00 25.97 H new ATOM 1020 N GLU A 64 10.083 -7.717 3.409 1.00 10.04 N ATOM 1021 CA GLU A 64 9.171 -8.333 4.375 1.00 10.94 C ATOM 1022 C GLU A 64 8.348 -7.312 5.239 1.00 9.74 C ATOM 1023 O GLU A 64 7.672 -7.679 6.207 1.00 9.42 O ATOM 1024 CB GLU A 64 9.780 -9.372 5.359 1.00 18.31 C ATOM 1025 CG GLU A 64 10.518 -10.538 4.715 1.00 24.16 C ATOM 1026 CD GLU A 64 11.236 -11.460 5.621 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.394 -11.245 6.048 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.588 -12.454 6.030 1.00 32.61 O ATOM 0 H GLU A 64 9.682 -7.716 2.471 1.00 10.04 H new ATOM 0 HA GLU A 64 8.521 -8.867 3.682 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.469 -8.853 6.025 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.977 -9.772 5.979 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.797 -11.120 4.141 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.238 -10.132 4.004 1.00 24.16 H new ATOM 1035 N SER A 65 8.385 -6.013 4.816 1.00 6.85 N ATOM 1036 CA SER A 65 7.795 -4.940 5.522 1.00 6.90 C ATOM 1037 C SER A 65 6.284 -5.026 5.415 1.00 4.72 C ATOM 1038 O SER A 65 5.751 -5.429 4.409 1.00 3.91 O ATOM 1039 CB SER A 65 8.095 -3.565 4.873 1.00 7.28 C ATOM 1040 OG SER A 65 9.454 -3.209 4.962 1.00 10.56 O ATOM 0 H SER A 65 8.846 -5.725 3.953 1.00 6.85 H new ATOM 0 HA SER A 65 8.190 -5.013 6.535 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.798 -3.590 3.825 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.490 -2.799 5.358 1.00 7.28 H new ATOM 0 HG SER A 65 9.989 -3.820 4.413 1.00 10.56 H new ATOM 1046 N THR A 66 5.521 -4.651 6.427 1.00 4.48 N ATOM 1047 CA THR A 66 4.053 -4.690 6.582 1.00 3.80 C ATOM 1048 C THR A 66 3.454 -3.365 6.448 1.00 4.60 C ATOM 1049 O THR A 66 3.589 -2.535 7.324 1.00 5.33 O ATOM 1050 CB THR A 66 3.529 -5.449 7.800 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.939 -6.825 7.655 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.050 -5.522 7.785 1.00 3.40 C ATOM 0 H THR A 66 5.954 -4.264 7.265 1.00 4.48 H new ATOM 0 HA THR A 66 3.717 -5.300 5.744 1.00 3.80 H new ATOM 0 HB THR A 66 3.896 -4.949 8.696 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.620 -7.344 8.423 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.704 -6.067 8.663 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.636 -4.514 7.797 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.720 -6.039 6.884 1.00 3.40 H new ATOM 1060 N LEU A 67 2.657 -3.153 5.357 1.00 4.17 N ATOM 1061 CA LEU A 67 1.857 -1.982 5.202 1.00 3.85 C ATOM 1062 C LEU A 67 0.499 -2.290 5.793 1.00 3.80 C ATOM 1063 O LEU A 67 0.052 -3.462 5.747 1.00 5.54 O ATOM 1064 CB LEU A 67 1.747 -1.559 3.694 1.00 7.18 C ATOM 1065 CG LEU A 67 3.004 -1.688 2.822 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.659 -1.373 1.388 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.168 -0.769 3.368 1.00 11.66 C ATOM 0 H LEU A 67 2.579 -3.812 4.583 1.00 4.17 H new ATOM 0 HA LEU A 67 2.313 -1.137 5.718 1.00 3.85 H new ATOM 0 HB2 LEU A 67 0.958 -2.155 3.235 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.421 -0.519 3.660 1.00 7.18 H new ATOM 0 HG LEU A 67 3.369 -2.714 2.866 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.552 -1.465 0.770 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.900 -2.071 1.035 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.275 -0.355 1.321 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.047 -0.879 2.733 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.843 0.272 3.362 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.418 -1.065 4.387 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.206 -1.295 6.409 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.501 -1.528 7.005 1.00 4.17 C ATOM 1081 C HIS A 68 -2.498 -0.970 6.042 1.00 5.32 C ATOM 1082 O HIS A 68 -2.523 0.217 5.725 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.621 -0.891 8.397 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.478 -1.076 9.397 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.591 -0.191 9.313 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.238 -1.876 10.445 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.448 -0.455 10.309 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.968 -1.480 11.074 1.00 16.30 N ATOM 0 H HIS A 68 0.125 -0.334 6.491 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.670 -2.591 7.174 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.766 0.180 8.258 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.529 -1.278 8.859 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.704 0.539 8.609 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.866 -2.695 10.761 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.379 0.065 10.481 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.361 -1.865 5.455 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.421 -1.576 4.550 1.00 3.97 C ATOM 1098 C LEU A 69 -5.638 -1.075 5.296 1.00 5.07 C ATOM 1099 O LEU A 69 -6.169 -1.764 6.185 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.743 -2.713 3.627 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.587 -2.296 2.432 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.153 -3.121 1.165 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.060 -2.612 2.781 1.00 9.96 C ATOM 0 H LEU A 69 -3.290 -2.865 5.645 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.072 -0.775 3.898 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.814 -3.157 3.270 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.272 -3.486 4.185 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.458 -1.236 2.214 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.759 -2.821 0.310 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.102 -2.931 0.949 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.297 -4.184 1.356 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.701 -2.327 1.947 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.168 -3.680 2.973 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.351 -2.053 3.670 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.200 0.055 4.974 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.449 0.635 5.624 1.00 6.26 C ATOM 1117 C VAL A 70 -8.390 1.094 4.517 1.00 9.22 C ATOM 1118 O VAL A 70 -7.953 1.745 3.524 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.088 1.918 6.464 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.323 2.332 7.193 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.973 1.579 7.488 1.00 8.54 C ATOM 0 H VAL A 70 -5.828 0.653 4.236 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.896 -0.125 6.265 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.731 2.717 5.814 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.113 3.221 7.788 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.112 2.554 6.475 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.647 1.524 7.849 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.727 2.470 8.066 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.322 0.795 8.160 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.085 1.234 6.958 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.715 0.835 4.657 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.596 1.144 3.585 1.00 16.06 C ATOM 1133 C LEU A 71 -11.153 2.556 3.706 1.00 18.09 C ATOM 1134 O LEU A 71 -11.684 2.990 4.706 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.732 0.150 3.413 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.288 -1.295 3.080 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.553 -2.228 3.106 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.570 -1.523 1.750 1.00 19.57 C ATOM 0 H LEU A 71 -10.152 0.427 5.484 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.981 1.075 2.688 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.321 0.131 4.330 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.389 0.505 2.619 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.544 -1.523 3.844 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.256 -3.250 2.873 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.006 -2.199 4.097 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.275 -1.883 2.366 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.318 -2.579 1.649 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.222 -1.226 0.929 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.657 -0.928 1.722 1.00 19.57 H new