USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 129:sc= 1.08 USER MOD Set 1.2: A 57 SER OG : rot -72:sc= 1.01 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0244 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.11 K(o=-0.085,f=-0.79) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 175:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 129:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.217 (180deg=-0.329) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.993 (180deg=0.922) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.348 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= 1.31 (180deg=1.17) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.21) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 1.01 (180deg=-0.18) USER MOD Single : A 40 GLN : amide:sc= -0.797 K(o=-0.8,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0.843 (180deg=0.66) USER MOD Single : A 49 GLN : amide:sc= -0.363 K(o=-0.36,f=-2.2) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.511 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 70:sc= 1.47 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.345 K(o=0.35,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.718 -7.365 -4.582 1.00 9.67 N ATOM 2 CA MET A 1 11.526 -7.811 -3.176 1.00 10.38 C ATOM 3 C MET A 1 10.072 -8.262 -2.964 1.00 9.62 C ATOM 4 O MET A 1 9.298 -8.301 -3.897 1.00 9.62 O ATOM 5 CB MET A 1 11.989 -6.695 -2.118 1.00 13.77 C ATOM 6 CG MET A 1 11.164 -5.451 -2.022 1.00 16.29 C ATOM 7 SD MET A 1 12.050 -4.064 -1.190 1.00 17.17 S ATOM 8 CE MET A 1 10.625 -2.873 -1.117 1.00 16.11 C ATOM 0 H1 MET A 1 12.646 -6.906 -4.677 1.00 9.67 H new ATOM 0 H2 MET A 1 11.672 -8.188 -5.217 1.00 9.67 H new ATOM 0 H3 MET A 1 10.970 -6.689 -4.837 1.00 9.67 H new ATOM 0 HA MET A 1 12.173 -8.669 -2.994 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.016 -7.158 -1.131 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.011 -6.403 -2.362 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.870 -5.138 -3.024 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.247 -5.670 -1.474 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.724 -2.241 -0.234 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.625 -2.250 -2.011 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.689 -3.429 -1.063 1.00 16.11 H new ATOM 20 N GLN A 2 9.662 -8.589 -1.720 1.00 9.27 N ATOM 21 CA GLN A 2 8.284 -8.890 -1.294 1.00 9.07 C ATOM 22 C GLN A 2 7.890 -8.052 -0.089 1.00 8.72 C ATOM 23 O GLN A 2 8.605 -8.054 0.911 1.00 8.22 O ATOM 24 CB GLN A 2 8.170 -10.344 -0.845 1.00 14.46 C ATOM 25 CG GLN A 2 8.265 -11.342 -1.986 1.00 17.01 C ATOM 26 CD GLN A 2 7.980 -12.847 -1.699 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.945 -13.336 -2.191 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.900 -13.523 -0.959 1.00 19.49 N ATOM 0 H GLN A 2 10.322 -8.653 -0.945 1.00 9.27 H new ATOM 0 HA GLN A 2 7.640 -8.679 -2.148 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.958 -10.555 -0.122 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.219 -10.483 -0.330 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.574 -11.019 -2.764 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.270 -11.271 -2.403 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.720 -13.037 -0.596 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.770 -14.516 -0.767 1.00 19.49 H new ATOM 37 N ILE A 3 6.730 -7.314 -0.146 1.00 5.87 N ATOM 38 CA ILE A 3 6.190 -6.658 1.040 1.00 5.07 C ATOM 39 C ILE A 3 4.888 -7.316 1.421 1.00 4.01 C ATOM 40 O ILE A 3 4.282 -8.094 0.687 1.00 4.61 O ATOM 41 CB ILE A 3 6.108 -5.112 1.013 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.142 -4.558 -0.073 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.516 -4.521 0.830 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.064 -3.018 -0.171 1.00 10.83 C ATOM 0 H ILE A 3 6.181 -7.176 -0.994 1.00 5.87 H new ATOM 0 HA ILE A 3 6.932 -6.811 1.824 1.00 5.07 H new ATOM 0 HB ILE A 3 5.692 -4.803 1.972 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.449 -4.951 -1.042 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.142 -4.943 0.125 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.454 -3.433 0.811 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.152 -4.834 1.658 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.941 -4.876 -0.109 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.363 -2.739 -0.958 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.723 -2.610 0.780 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.051 -2.618 -0.405 1.00 10.83 H new ATOM 56 N PHE A 4 4.451 -7.052 2.632 1.00 4.55 N ATOM 57 CA PHE A 4 3.374 -7.749 3.278 1.00 4.68 C ATOM 58 C PHE A 4 2.422 -6.602 3.527 1.00 5.30 C ATOM 59 O PHE A 4 2.753 -5.471 3.917 1.00 5.58 O ATOM 60 CB PHE A 4 3.719 -8.324 4.707 1.00 4.83 C ATOM 61 CG PHE A 4 4.589 -9.484 4.679 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.497 -10.465 3.718 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.542 -9.629 5.719 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.394 -11.597 3.699 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.547 -10.605 5.607 1.00 10.61 C ATOM 66 CZ PHE A 4 6.433 -11.607 4.666 1.00 8.90 C ATOM 0 H PHE A 4 4.855 -6.317 3.212 1.00 4.55 H new ATOM 0 HA PHE A 4 3.047 -8.599 2.679 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.193 -7.541 5.298 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.792 -8.590 5.215 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.734 -10.386 2.958 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.496 -8.994 6.591 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.280 -12.398 2.983 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.408 -10.570 6.258 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.149 -12.416 4.665 1.00 8.90 H new ATOM 76 N VAL A 5 1.116 -6.893 3.288 1.00 4.44 N ATOM 77 CA VAL A 5 0.061 -5.947 3.454 1.00 3.87 C ATOM 78 C VAL A 5 -1.098 -6.477 4.236 1.00 4.93 C ATOM 79 O VAL A 5 -1.667 -7.486 3.898 1.00 6.84 O ATOM 80 CB VAL A 5 -0.407 -5.256 2.192 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.663 -4.301 2.447 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.737 -4.453 1.582 1.00 9.13 C ATOM 0 H VAL A 5 0.798 -7.809 2.973 1.00 4.44 H new ATOM 0 HA VAL A 5 0.540 -5.168 4.048 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.726 -6.035 1.499 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.958 -3.830 1.509 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.494 -4.889 2.835 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.394 -3.531 3.171 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.391 -3.959 0.674 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.076 -3.703 2.296 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.562 -5.122 1.339 1.00 9.13 H new ATOM 92 N LYS A 6 -1.481 -5.856 5.402 1.00 6.04 N ATOM 93 CA LYS A 6 -2.438 -6.538 6.274 1.00 6.12 C ATOM 94 C LYS A 6 -3.802 -5.831 6.195 1.00 6.57 C ATOM 95 O LYS A 6 -3.980 -4.613 6.363 1.00 5.76 O ATOM 96 CB LYS A 6 -2.020 -6.602 7.818 1.00 7.45 C ATOM 97 CG LYS A 6 -1.022 -7.743 8.082 1.00 11.12 C ATOM 98 CD LYS A 6 -0.381 -7.648 9.476 1.00 14.54 C ATOM 99 CE LYS A 6 0.971 -8.394 9.632 1.00 18.84 C ATOM 100 NZ LYS A 6 0.750 -9.832 9.563 1.00 20.55 N ATOM 0 H LYS A 6 -1.154 -4.945 5.724 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.471 -7.564 5.907 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.576 -5.652 8.116 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.909 -6.745 8.432 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.534 -8.700 7.985 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.240 -7.721 7.323 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.228 -6.596 9.717 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.083 -8.044 10.209 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.661 -8.084 8.847 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.434 -8.133 10.584 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.665 -10.325 9.583 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.176 -10.134 10.376 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.250 -10.065 8.681 1.00 20.55 H new ATOM 114 N THR A 7 -4.880 -6.613 5.956 1.00 7.41 N ATOM 115 CA THR A 7 -6.187 -6.077 5.659 1.00 7.48 C ATOM 116 C THR A 7 -6.955 -5.879 6.963 1.00 8.75 C ATOM 117 O THR A 7 -6.568 -6.363 8.031 1.00 8.58 O ATOM 118 CB THR A 7 -7.056 -7.004 4.731 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.233 -8.255 5.344 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.339 -7.334 3.431 1.00 9.17 C ATOM 0 H THR A 7 -4.846 -7.632 5.969 1.00 7.41 H new ATOM 0 HA THR A 7 -6.018 -5.140 5.128 1.00 7.48 H new ATOM 0 HB THR A 7 -7.987 -6.466 4.553 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.776 -8.829 4.764 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.973 -7.976 2.819 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.125 -6.413 2.890 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.405 -7.851 3.652 1.00 9.17 H new ATOM 128 N LEU A 8 -8.130 -5.154 6.922 1.00 9.84 N ATOM 129 CA LEU A 8 -8.976 -4.882 8.113 1.00 14.15 C ATOM 130 C LEU A 8 -9.435 -6.121 8.881 1.00 17.37 C ATOM 131 O LEU A 8 -9.513 -6.113 10.120 1.00 17.01 O ATOM 132 CB LEU A 8 -10.205 -4.007 7.746 1.00 16.63 C ATOM 133 CG LEU A 8 -9.927 -2.606 7.117 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.174 -1.875 6.579 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.151 -1.748 8.126 1.00 18.59 C ATOM 0 H LEU A 8 -8.501 -4.751 6.062 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.316 -4.339 8.789 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.825 -4.572 7.050 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.795 -3.859 8.650 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.324 -2.775 6.225 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.880 -0.912 6.162 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.643 -2.479 5.802 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.882 -1.717 7.392 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.953 -0.767 7.693 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.742 -1.631 9.035 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.206 -2.235 8.368 1.00 18.59 H new ATOM 147 N THR A 9 -9.719 -7.206 8.188 1.00 18.33 N ATOM 148 CA THR A 9 -10.137 -8.467 8.794 1.00 19.24 C ATOM 149 C THR A 9 -8.980 -9.373 8.960 1.00 19.48 C ATOM 150 O THR A 9 -9.132 -10.522 9.307 1.00 23.14 O ATOM 151 CB THR A 9 -11.260 -9.118 8.019 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.880 -9.464 6.715 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.453 -8.160 7.854 1.00 19.70 C ATOM 0 H THR A 9 -9.667 -7.243 7.170 1.00 18.33 H new ATOM 0 HA THR A 9 -10.533 -8.249 9.786 1.00 19.24 H new ATOM 0 HB THR A 9 -11.522 -10.005 8.596 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.637 -9.883 6.254 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.244 -8.657 7.293 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.829 -7.875 8.836 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.132 -7.268 7.316 1.00 19.70 H new ATOM 161 N GLY A 10 -7.773 -8.881 8.807 1.00 19.43 N ATOM 162 CA GLY A 10 -6.632 -9.525 9.374 1.00 18.74 C ATOM 163 C GLY A 10 -5.819 -10.483 8.488 1.00 17.62 C ATOM 164 O GLY A 10 -5.119 -11.331 9.036 1.00 19.74 O ATOM 0 H GLY A 10 -7.564 -8.028 8.288 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.956 -8.749 9.731 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.966 -10.084 10.248 1.00 18.74 H new ATOM 168 N LYS A 11 -5.988 -10.335 7.175 1.00 13.56 N ATOM 169 CA LYS A 11 -5.378 -11.198 6.221 1.00 11.91 C ATOM 170 C LYS A 11 -4.129 -10.514 5.699 1.00 10.18 C ATOM 171 O LYS A 11 -4.139 -9.380 5.193 1.00 9.10 O ATOM 172 CB LYS A 11 -6.295 -11.455 4.994 1.00 13.43 C ATOM 173 CG LYS A 11 -5.887 -12.660 4.062 1.00 16.69 C ATOM 174 CD LYS A 11 -6.888 -12.689 2.941 1.00 17.92 C ATOM 175 CE LYS A 11 -6.753 -11.603 1.837 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.929 -11.610 0.933 1.00 21.93 N ATOM 0 H LYS A 11 -6.561 -9.600 6.761 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.170 -12.147 6.715 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.309 -11.628 5.354 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.322 -10.548 4.390 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.876 -12.527 3.676 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.896 -13.599 4.615 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.830 -13.666 2.462 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.884 -12.606 3.376 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.652 -10.621 2.299 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.845 -11.778 1.259 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.933 -10.741 0.362 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.879 -12.437 0.304 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.801 -11.657 1.498 1.00 21.93 H new ATOM 190 N THR A 12 -2.981 -11.181 5.780 1.00 9.63 N ATOM 191 CA THR A 12 -1.749 -10.681 5.169 1.00 9.85 C ATOM 192 C THR A 12 -1.732 -11.031 3.673 1.00 11.66 C ATOM 193 O THR A 12 -1.962 -12.184 3.317 1.00 12.33 O ATOM 194 CB THR A 12 -0.404 -11.083 5.848 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.382 -10.798 7.220 1.00 10.91 O ATOM 196 CG2 THR A 12 0.750 -10.419 5.177 1.00 9.63 C ATOM 0 H THR A 12 -2.876 -12.073 6.264 1.00 9.63 H new ATOM 0 HA THR A 12 -1.790 -9.603 5.326 1.00 9.85 H new ATOM 0 HB THR A 12 -0.317 -12.164 5.737 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.104 -11.596 7.716 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.677 -10.715 5.669 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.783 -10.719 4.129 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.635 -9.337 5.241 1.00 9.63 H new ATOM 204 N ILE A 13 -1.487 -10.028 2.793 1.00 10.42 N ATOM 205 CA ILE A 13 -1.273 -10.301 1.386 1.00 11.84 C ATOM 206 C ILE A 13 0.149 -10.014 1.107 1.00 10.55 C ATOM 207 O ILE A 13 0.739 -9.137 1.731 1.00 11.92 O ATOM 208 CB ILE A 13 -2.192 -9.567 0.376 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.037 -8.076 0.339 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.646 -9.949 0.623 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.019 -7.427 -0.691 1.00 16.46 C ATOM 0 H ILE A 13 -1.437 -9.041 3.047 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.544 -11.345 1.227 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.870 -9.904 -0.609 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.223 -7.664 1.331 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.010 -7.822 0.076 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.285 -9.429 -0.091 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.765 -11.025 0.500 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.929 -9.666 1.637 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.881 -6.346 -0.693 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.815 -7.821 -1.687 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.046 -7.661 -0.412 1.00 16.46 H new ATOM 223 N THR A 14 0.779 -10.732 0.169 1.00 9.39 N ATOM 224 CA THR A 14 2.175 -10.502 -0.194 1.00 9.63 C ATOM 225 C THR A 14 2.151 -9.784 -1.537 1.00 11.20 C ATOM 226 O THR A 14 1.531 -10.198 -2.524 1.00 11.63 O ATOM 227 CB THR A 14 3.002 -11.739 -0.199 1.00 10.38 C ATOM 228 OG1 THR A 14 2.795 -12.661 0.909 1.00 16.30 O ATOM 229 CG2 THR A 14 4.483 -11.396 -0.118 1.00 11.66 C ATOM 0 H THR A 14 0.334 -11.485 -0.356 1.00 9.39 H new ATOM 0 HA THR A 14 2.668 -9.889 0.561 1.00 9.63 H new ATOM 0 HB THR A 14 2.690 -12.219 -1.126 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.386 -13.436 0.804 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.070 -12.314 -0.123 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.762 -10.783 -0.975 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.679 -10.845 0.802 1.00 11.66 H new ATOM 237 N LEU A 15 2.924 -8.719 -1.652 1.00 8.29 N ATOM 238 CA LEU A 15 2.954 -7.898 -2.806 1.00 9.03 C ATOM 239 C LEU A 15 4.386 -7.904 -3.326 1.00 8.59 C ATOM 240 O LEU A 15 5.262 -7.449 -2.608 1.00 7.79 O ATOM 241 CB LEU A 15 2.452 -6.443 -2.524 1.00 11.08 C ATOM 242 CG LEU A 15 0.948 -6.256 -2.241 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.703 -4.774 -1.880 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.003 -6.665 -3.373 1.00 15.27 C ATOM 0 H LEU A 15 3.558 -8.410 -0.915 1.00 8.29 H new ATOM 0 HA LEU A 15 2.269 -8.295 -3.555 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.007 -6.054 -1.670 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.713 -5.824 -3.382 1.00 11.08 H new ATOM 0 HG LEU A 15 0.711 -6.934 -1.421 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.357 -4.620 -1.676 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.285 -4.514 -0.996 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.008 -4.141 -2.714 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.029 -6.492 -3.066 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.222 -6.073 -4.262 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.142 -7.722 -3.598 1.00 15.27 H new ATOM 256 N GLU A 16 4.621 -8.285 -4.584 1.00 11.04 N ATOM 257 CA GLU A 16 5.953 -8.249 -5.197 1.00 11.50 C ATOM 258 C GLU A 16 6.152 -6.878 -5.778 1.00 10.13 C ATOM 259 O GLU A 16 5.469 -6.479 -6.726 1.00 9.83 O ATOM 260 CB GLU A 16 6.041 -9.387 -6.217 1.00 17.22 C ATOM 261 CG GLU A 16 7.389 -9.593 -6.994 1.00 23.33 C ATOM 262 CD GLU A 16 7.268 -10.668 -8.011 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.464 -10.471 -8.989 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.951 -11.698 -7.937 1.00 28.86 O ATOM 0 H GLU A 16 3.891 -8.628 -5.209 1.00 11.04 H new ATOM 0 HA GLU A 16 6.760 -8.412 -4.483 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.813 -10.317 -5.697 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.253 -9.233 -6.955 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.677 -8.661 -7.480 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.182 -9.844 -6.290 1.00 23.33 H new ATOM 271 N VAL A 17 7.083 -6.127 -5.265 1.00 8.99 N ATOM 272 CA VAL A 17 7.405 -4.742 -5.461 1.00 8.85 C ATOM 273 C VAL A 17 8.928 -4.597 -5.732 1.00 8.04 C ATOM 274 O VAL A 17 9.655 -5.468 -5.286 1.00 8.99 O ATOM 275 CB VAL A 17 7.141 -3.906 -4.180 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.638 -3.891 -4.002 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.849 -4.398 -2.931 1.00 10.54 C ATOM 0 H VAL A 17 7.733 -6.539 -4.596 1.00 8.99 H new ATOM 0 HA VAL A 17 6.789 -4.392 -6.289 1.00 8.85 H new ATOM 0 HB VAL A 17 7.558 -2.908 -4.315 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.383 -3.315 -3.112 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.173 -3.434 -4.876 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.275 -4.913 -3.890 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.600 -3.748 -2.092 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.529 -5.416 -2.709 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.927 -4.384 -3.094 1.00 10.54 H new ATOM 287 N GLU A 18 9.362 -3.456 -6.302 1.00 7.29 N ATOM 288 CA GLU A 18 10.698 -3.073 -6.255 1.00 7.08 C ATOM 289 C GLU A 18 10.799 -1.648 -5.585 1.00 6.45 C ATOM 290 O GLU A 18 9.782 -1.011 -5.342 1.00 5.28 O ATOM 291 CB GLU A 18 11.301 -2.738 -7.665 1.00 10.28 C ATOM 292 CG GLU A 18 11.468 -3.987 -8.589 1.00 12.65 C ATOM 293 CD GLU A 18 12.430 -5.055 -8.146 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.361 -4.778 -7.330 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.318 -6.187 -8.721 1.00 18.17 O ATOM 0 H GLU A 18 8.756 -2.803 -6.799 1.00 7.29 H new ATOM 0 HA GLU A 18 11.202 -3.900 -5.756 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.658 -2.012 -8.163 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.273 -2.263 -7.531 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.488 -4.447 -8.712 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.782 -3.638 -9.573 1.00 12.65 H new ATOM 302 N PRO A 19 11.957 -1.181 -5.145 1.00 7.24 N ATOM 303 CA PRO A 19 12.049 0.163 -4.497 1.00 7.07 C ATOM 304 C PRO A 19 11.507 1.340 -5.345 1.00 6.65 C ATOM 305 O PRO A 19 10.873 2.267 -4.790 1.00 6.37 O ATOM 306 CB PRO A 19 13.506 0.349 -4.103 1.00 7.61 C ATOM 307 CG PRO A 19 14.050 -1.119 -3.857 1.00 8.16 C ATOM 308 CD PRO A 19 13.240 -1.884 -4.927 1.00 7.49 C ATOM 0 HA PRO A 19 11.391 0.183 -3.628 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.067 0.852 -4.890 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.598 0.960 -3.205 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.126 -1.197 -4.013 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.848 -1.475 -2.847 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.803 -1.940 -5.859 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.059 -2.909 -4.602 1.00 7.49 H new ATOM 316 N SER A 20 11.719 1.255 -6.708 1.00 6.80 N ATOM 317 CA SER A 20 11.212 2.188 -7.704 1.00 6.28 C ATOM 318 C SER A 20 9.825 1.925 -8.202 1.00 8.45 C ATOM 319 O SER A 20 9.439 2.266 -9.333 1.00 7.26 O ATOM 320 CB SER A 20 12.140 2.373 -8.912 1.00 8.57 C ATOM 321 OG SER A 20 12.235 1.183 -9.723 1.00 11.13 O ATOM 0 H SER A 20 12.268 0.501 -7.122 1.00 6.80 H new ATOM 0 HA SER A 20 11.177 3.111 -7.126 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.775 3.198 -9.524 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.134 2.651 -8.563 1.00 8.57 H new ATOM 0 HG SER A 20 12.835 1.350 -10.480 1.00 11.13 H new ATOM 327 N ASP A 21 8.931 1.371 -7.352 1.00 7.50 N ATOM 328 CA ASP A 21 7.534 1.282 -7.669 1.00 7.70 C ATOM 329 C ASP A 21 6.884 2.395 -6.839 1.00 7.08 C ATOM 330 O ASP A 21 7.118 2.551 -5.684 1.00 8.11 O ATOM 331 CB ASP A 21 6.869 -0.047 -7.395 1.00 11.00 C ATOM 332 CG ASP A 21 7.511 -1.071 -8.343 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.841 -0.757 -9.507 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.512 -2.262 -7.955 1.00 14.36 O ATOM 0 H ASP A 21 9.179 0.984 -6.442 1.00 7.50 H new ATOM 0 HA ASP A 21 7.409 1.386 -8.747 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.010 -0.342 -6.355 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.794 0.016 -7.566 1.00 11.00 H new ATOM 339 N THR A 22 6.070 3.187 -7.539 1.00 5.37 N ATOM 340 CA THR A 22 5.343 4.283 -6.912 1.00 6.01 C ATOM 341 C THR A 22 4.208 3.723 -6.066 1.00 8.01 C ATOM 342 O THR A 22 3.710 2.623 -6.301 1.00 8.11 O ATOM 343 CB THR A 22 4.748 5.392 -7.826 1.00 8.92 C ATOM 344 OG1 THR A 22 3.837 4.900 -8.813 1.00 10.22 O ATOM 345 CG2 THR A 22 5.877 6.069 -8.671 1.00 9.65 C ATOM 0 H THR A 22 5.900 3.087 -8.540 1.00 5.37 H new ATOM 0 HA THR A 22 6.122 4.787 -6.340 1.00 6.01 H new ATOM 0 HB THR A 22 4.244 6.065 -7.133 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.501 5.648 -9.350 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.443 6.842 -9.305 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.612 6.518 -8.003 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.364 5.319 -9.295 1.00 9.65 H new ATOM 353 N ILE A 23 3.794 4.439 -5.061 1.00 8.32 N ATOM 354 CA ILE A 23 2.735 4.053 -4.155 1.00 9.92 C ATOM 355 C ILE A 23 1.388 3.936 -4.990 1.00 10.01 C ATOM 356 O ILE A 23 0.609 3.010 -4.828 1.00 8.71 O ATOM 357 CB ILE A 23 2.476 5.037 -3.001 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.745 5.216 -2.093 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.347 4.474 -2.143 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.425 3.933 -1.532 1.00 12.30 C ATOM 0 H ILE A 23 4.198 5.348 -4.835 1.00 8.32 H new ATOM 0 HA ILE A 23 3.055 3.114 -3.702 1.00 9.92 H new ATOM 0 HB ILE A 23 2.220 6.008 -3.425 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.491 5.767 -2.666 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.465 5.844 -1.247 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.144 5.155 -1.316 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.449 4.363 -2.751 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.640 3.501 -1.748 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.286 4.213 -0.925 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.712 3.382 -0.919 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.754 3.304 -2.359 1.00 12.30 H new ATOM 372 N GLU A 24 1.180 4.798 -5.978 1.00 9.54 N ATOM 373 CA GLU A 24 -0.007 4.712 -6.894 1.00 11.81 C ATOM 374 C GLU A 24 0.016 3.437 -7.647 1.00 11.14 C ATOM 375 O GLU A 24 -0.942 2.698 -7.746 1.00 10.62 O ATOM 376 CB GLU A 24 -0.015 5.905 -7.869 1.00 19.24 C ATOM 377 CG GLU A 24 -1.426 6.050 -8.470 1.00 27.76 C ATOM 378 CD GLU A 24 -1.513 7.277 -9.365 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.990 7.338 -10.518 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.139 8.281 -8.897 1.00 36.51 O ATOM 0 H GLU A 24 1.806 5.576 -6.186 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.915 4.745 -6.292 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.268 6.819 -7.348 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.718 5.749 -8.661 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.674 5.158 -9.045 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.161 6.127 -7.668 1.00 27.76 H new ATOM 387 N ASN A 25 1.196 3.009 -8.165 1.00 9.43 N ATOM 388 CA ASN A 25 1.417 1.670 -8.744 1.00 10.96 C ATOM 389 C ASN A 25 1.273 0.474 -7.746 1.00 9.68 C ATOM 390 O ASN A 25 0.809 -0.580 -8.177 1.00 9.33 O ATOM 391 CB ASN A 25 2.760 1.622 -9.569 1.00 16.78 C ATOM 392 CG ASN A 25 2.611 2.313 -10.847 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.620 1.991 -11.554 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.446 3.195 -11.312 1.00 24.70 N ATOM 0 H ASN A 25 2.029 3.597 -8.190 1.00 9.43 H new ATOM 0 HA ASN A 25 0.587 1.517 -9.434 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.562 2.083 -8.993 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.048 0.585 -9.743 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.291 3.610 -12.231 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.256 3.472 -10.758 1.00 24.70 H new ATOM 401 N VAL A 26 1.674 0.641 -6.490 1.00 6.52 N ATOM 402 CA VAL A 26 1.368 -0.394 -5.472 1.00 5.53 C ATOM 403 C VAL A 26 -0.136 -0.547 -5.230 1.00 4.42 C ATOM 404 O VAL A 26 -0.669 -1.691 -5.189 1.00 3.40 O ATOM 405 CB VAL A 26 2.124 -0.254 -4.147 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.774 -1.413 -3.135 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.647 -0.315 -4.412 1.00 8.12 C ATOM 0 H VAL A 26 2.194 1.448 -6.147 1.00 6.52 H new ATOM 0 HA VAL A 26 1.745 -1.313 -5.921 1.00 5.53 H new ATOM 0 HB VAL A 26 1.827 0.700 -3.712 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.334 -1.271 -2.211 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.706 -1.396 -2.918 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.040 -2.374 -3.576 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.185 -0.215 -3.469 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.898 -1.270 -4.874 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.933 0.497 -5.080 1.00 8.12 H new ATOM 417 N LYS A 27 -0.890 0.513 -5.201 1.00 2.64 N ATOM 418 CA LYS A 27 -2.303 0.421 -5.064 1.00 4.14 C ATOM 419 C LYS A 27 -3.002 -0.166 -6.298 1.00 5.58 C ATOM 420 O LYS A 27 -4.019 -0.872 -6.158 1.00 4.11 O ATOM 421 CB LYS A 27 -3.046 1.705 -4.697 1.00 3.97 C ATOM 422 CG LYS A 27 -2.513 2.371 -3.413 1.00 7.45 C ATOM 423 CD LYS A 27 -3.353 3.616 -3.035 1.00 9.02 C ATOM 424 CE LYS A 27 -3.093 4.876 -3.933 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.006 5.992 -3.614 1.00 15.47 N ATOM 0 H LYS A 27 -0.535 1.466 -5.272 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.370 -0.254 -4.211 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.968 2.411 -5.524 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.105 1.480 -4.569 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.533 1.653 -2.593 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.472 2.662 -3.556 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.410 3.356 -3.093 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.146 3.877 -1.997 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.062 5.205 -3.803 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.211 4.602 -4.981 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.784 6.806 -4.221 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.989 5.695 -3.779 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.889 6.262 -2.617 1.00 15.47 H new ATOM 439 N ALA A 28 -2.457 0.010 -7.522 1.00 6.61 N ATOM 440 CA ALA A 28 -2.909 -0.877 -8.632 1.00 7.74 C ATOM 441 C ALA A 28 -2.685 -2.395 -8.412 1.00 9.17 C ATOM 442 O ALA A 28 -3.446 -3.233 -8.869 1.00 11.45 O ATOM 443 CB ALA A 28 -2.062 -0.464 -9.928 1.00 7.68 C ATOM 0 H ALA A 28 -1.752 0.706 -7.765 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.987 -0.737 -8.718 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.359 -1.088 -10.771 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.251 0.582 -10.168 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.000 -0.605 -9.728 1.00 7.68 H new ATOM 449 N LYS A 29 -1.584 -2.726 -7.741 1.00 8.96 N ATOM 450 CA LYS A 29 -1.273 -4.139 -7.497 1.00 7.90 C ATOM 451 C LYS A 29 -2.139 -4.674 -6.358 1.00 6.92 C ATOM 452 O LYS A 29 -2.568 -5.850 -6.428 1.00 6.87 O ATOM 453 CB LYS A 29 0.178 -4.215 -6.969 1.00 10.28 C ATOM 454 CG LYS A 29 1.270 -3.872 -8.004 1.00 14.94 C ATOM 455 CD LYS A 29 2.680 -3.806 -7.290 1.00 19.69 C ATOM 456 CE LYS A 29 3.928 -3.517 -8.145 1.00 22.63 C ATOM 457 NZ LYS A 29 4.164 -4.512 -9.249 1.00 24.98 N ATOM 0 H LYS A 29 -0.908 -2.061 -7.365 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.433 -4.702 -8.417 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.276 -3.536 -6.122 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.359 -5.222 -6.593 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.286 -4.624 -8.793 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.047 -2.917 -8.479 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.624 -3.039 -6.517 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.839 -4.758 -6.784 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.833 -2.523 -8.582 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.803 -3.498 -7.495 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.020 -4.248 -9.777 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.287 -5.461 -8.841 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.348 -4.516 -9.893 1.00 24.98 H new ATOM 471 N ILE A 30 -2.532 -3.842 -5.340 1.00 4.57 N ATOM 472 CA ILE A 30 -3.667 -4.294 -4.509 1.00 5.58 C ATOM 473 C ILE A 30 -4.995 -4.408 -5.224 1.00 7.26 C ATOM 474 O ILE A 30 -5.835 -5.278 -4.906 1.00 9.46 O ATOM 475 CB ILE A 30 -3.782 -3.343 -3.324 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.441 -3.442 -2.583 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.960 -3.817 -2.403 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.379 -2.848 -1.086 1.00 2.00 C ATOM 0 H ILE A 30 -2.118 -2.941 -5.100 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.445 -5.316 -4.201 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.987 -2.316 -3.627 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.155 -4.493 -2.541 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.687 -2.930 -3.181 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.050 -3.142 -1.552 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.891 -3.812 -2.971 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.759 -4.827 -2.046 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.376 -2.984 -0.682 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.622 -1.786 -1.106 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.098 -3.373 -0.456 1.00 2.00 H new ATOM 490 N GLN A 31 -5.268 -3.542 -6.282 1.00 7.06 N ATOM 491 CA GLN A 31 -6.432 -3.772 -7.145 1.00 8.67 C ATOM 492 C GLN A 31 -6.461 -5.070 -7.910 1.00 10.90 C ATOM 493 O GLN A 31 -7.459 -5.776 -8.011 1.00 9.63 O ATOM 494 CB GLN A 31 -6.699 -2.561 -8.176 1.00 9.12 C ATOM 495 CG GLN A 31 -7.856 -2.754 -9.265 1.00 10.76 C ATOM 496 CD GLN A 31 -8.135 -1.423 -9.981 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.191 -0.803 -10.462 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.387 -0.981 -10.064 1.00 14.76 N ATOM 0 H GLN A 31 -4.707 -2.725 -6.522 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.234 -3.833 -6.409 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.932 -1.670 -7.594 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.768 -2.361 -8.707 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.560 -3.511 -9.991 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.765 -3.113 -8.782 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.147 -1.522 -9.653 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.587 -0.101 -10.539 1.00 14.76 H new ATOM 507 N ASP A 32 -5.273 -5.465 -8.350 1.00 10.93 N ATOM 508 CA ASP A 32 -5.090 -6.705 -9.067 1.00 14.01 C ATOM 509 C ASP A 32 -5.371 -7.930 -8.183 1.00 14.04 C ATOM 510 O ASP A 32 -6.193 -8.814 -8.530 1.00 13.39 O ATOM 511 CB ASP A 32 -3.615 -6.791 -9.590 1.00 18.01 C ATOM 512 CG ASP A 32 -3.483 -7.857 -10.683 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.885 -7.643 -11.847 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.963 -8.957 -10.379 1.00 26.29 O ATOM 0 H ASP A 32 -4.415 -4.930 -8.216 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.799 -6.712 -9.895 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.307 -5.822 -9.983 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.945 -7.027 -8.763 1.00 18.01 H new ATOM 519 N LYS A 33 -4.674 -7.974 -7.005 1.00 14.22 N ATOM 520 CA LYS A 33 -4.985 -9.011 -6.008 1.00 14.00 C ATOM 521 C LYS A 33 -6.412 -9.081 -5.548 1.00 12.37 C ATOM 522 O LYS A 33 -6.978 -10.185 -5.551 1.00 12.17 O ATOM 523 CB LYS A 33 -4.153 -8.855 -4.739 1.00 18.62 C ATOM 524 CG LYS A 33 -2.633 -8.985 -4.965 1.00 24.00 C ATOM 525 CD LYS A 33 -2.076 -10.427 -4.941 1.00 27.61 C ATOM 526 CE LYS A 33 -0.524 -10.472 -5.015 1.00 27.64 C ATOM 527 NZ LYS A 33 0.041 -11.663 -4.414 1.00 30.06 N ATOM 0 H LYS A 33 -3.929 -7.328 -6.744 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.753 -9.922 -6.560 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.362 -7.881 -4.297 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.468 -9.607 -4.016 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.387 -8.535 -5.927 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.119 -8.403 -4.200 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.407 -10.925 -4.029 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.492 -10.987 -5.779 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.215 -10.418 -6.059 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.117 -9.593 -4.516 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.687 -11.391 -3.646 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.724 -12.254 -4.030 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.566 -12.200 -5.134 1.00 30.06 H new ATOM 541 N GLU A 34 -7.004 -7.939 -5.148 1.00 10.11 N ATOM 542 CA GLU A 34 -8.113 -7.943 -4.198 1.00 10.07 C ATOM 543 C GLU A 34 -9.260 -7.146 -4.766 1.00 9.32 C ATOM 544 O GLU A 34 -10.369 -7.046 -4.192 1.00 11.61 O ATOM 545 CB GLU A 34 -7.698 -7.296 -2.821 1.00 14.77 C ATOM 546 CG GLU A 34 -6.698 -8.107 -1.995 1.00 18.75 C ATOM 547 CD GLU A 34 -6.978 -9.550 -1.723 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.991 -9.856 -1.103 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.157 -10.412 -2.111 1.00 25.19 O ATOM 0 H GLU A 34 -6.729 -7.011 -5.471 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.402 -8.980 -4.028 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.271 -6.312 -3.014 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.597 -7.142 -2.225 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.733 -8.049 -2.499 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.586 -7.607 -1.033 1.00 18.75 H new ATOM 556 N GLY A 35 -9.093 -6.542 -5.961 1.00 7.22 N ATOM 557 CA GLY A 35 -10.264 -6.103 -6.696 1.00 6.29 C ATOM 558 C GLY A 35 -10.805 -4.763 -6.403 1.00 6.93 C ATOM 559 O GLY A 35 -11.871 -4.376 -6.837 1.00 7.41 O ATOM 0 H GLY A 35 -8.195 -6.360 -6.410 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.024 -6.141 -7.759 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.058 -6.829 -6.522 1.00 6.29 H new ATOM 563 N ILE A 36 -10.080 -3.987 -5.526 1.00 5.86 N ATOM 564 CA ILE A 36 -10.634 -2.767 -4.908 1.00 6.07 C ATOM 565 C ILE A 36 -10.125 -1.591 -5.742 1.00 6.36 C ATOM 566 O ILE A 36 -8.930 -1.577 -5.905 1.00 6.18 O ATOM 567 CB ILE A 36 -10.120 -2.792 -3.526 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.402 -4.080 -2.791 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.854 -1.583 -2.832 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.532 -4.188 -1.462 1.00 9.49 C ATOM 0 H ILE A 36 -9.122 -4.198 -5.245 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.721 -2.690 -4.880 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.033 -2.717 -3.515 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.461 -4.134 -2.540 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.184 -4.928 -3.441 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.538 -1.514 -1.791 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.601 -0.658 -3.350 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.932 -1.739 -2.874 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.757 -5.126 -0.955 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.473 -4.159 -1.717 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.770 -3.353 -0.803 1.00 9.49 H new ATOM 582 N PRO A 37 -10.960 -0.630 -6.280 1.00 8.65 N ATOM 583 CA PRO A 37 -10.425 0.659 -6.780 1.00 9.18 C ATOM 584 C PRO A 37 -9.393 1.408 -5.902 1.00 9.85 C ATOM 585 O PRO A 37 -9.730 1.653 -4.759 1.00 8.51 O ATOM 586 CB PRO A 37 -11.791 1.426 -7.101 1.00 11.42 C ATOM 587 CG PRO A 37 -12.850 0.356 -7.056 1.00 9.27 C ATOM 588 CD PRO A 37 -12.401 -0.731 -6.107 1.00 8.33 C ATOM 0 HA PRO A 37 -9.759 0.545 -7.635 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.987 2.209 -6.368 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.755 1.907 -8.079 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.799 0.778 -6.726 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.014 -0.056 -8.052 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.713 -0.543 -5.079 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.787 -1.712 -6.383 1.00 8.33 H new ATOM 596 N PRO A 38 -8.219 1.940 -6.306 1.00 8.71 N ATOM 597 CA PRO A 38 -7.176 2.565 -5.476 1.00 9.08 C ATOM 598 C PRO A 38 -7.569 3.782 -4.608 1.00 9.28 C ATOM 599 O PRO A 38 -6.934 4.004 -3.589 1.00 6.50 O ATOM 600 CB PRO A 38 -6.146 2.994 -6.503 1.00 10.31 C ATOM 601 CG PRO A 38 -6.199 1.860 -7.497 1.00 10.81 C ATOM 602 CD PRO A 38 -7.668 1.505 -7.624 1.00 12.00 C ATOM 0 HA PRO A 38 -6.860 1.846 -4.720 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.401 3.950 -6.961 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.155 3.105 -6.064 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.783 2.160 -8.459 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.617 1.006 -7.150 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.142 2.028 -8.455 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.815 0.438 -7.793 1.00 12.00 H new ATOM 610 N ASP A 39 -8.627 4.557 -4.958 1.00 11.20 N ATOM 611 CA ASP A 39 -9.192 5.610 -4.114 1.00 14.96 C ATOM 612 C ASP A 39 -10.104 5.112 -3.015 1.00 13.99 C ATOM 613 O ASP A 39 -10.658 5.917 -2.280 1.00 13.75 O ATOM 614 CB ASP A 39 -9.916 6.656 -5.009 1.00 24.16 C ATOM 615 CG ASP A 39 -8.863 7.453 -5.794 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.893 8.030 -5.253 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.968 7.336 -7.042 1.00 34.22 O ATOM 0 H ASP A 39 -9.110 4.456 -5.851 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.354 6.072 -3.591 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.599 6.156 -5.695 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.516 7.327 -4.394 1.00 24.16 H new ATOM 622 N GLN A 40 -10.166 3.842 -2.762 1.00 11.60 N ATOM 623 CA GLN A 40 -10.861 3.210 -1.657 1.00 10.76 C ATOM 624 C GLN A 40 -9.791 2.662 -0.659 1.00 8.01 C ATOM 625 O GLN A 40 -10.095 1.976 0.370 1.00 8.96 O ATOM 626 CB GLN A 40 -11.717 2.088 -2.119 1.00 11.14 C ATOM 627 CG GLN A 40 -12.826 2.743 -3.016 1.00 14.85 C ATOM 628 CD GLN A 40 -13.723 1.685 -3.660 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.728 0.482 -3.324 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.647 2.167 -4.509 1.00 18.16 N ATOM 0 H GLN A 40 -9.701 3.159 -3.361 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.507 3.947 -1.180 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.136 1.359 -2.684 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.158 1.558 -1.275 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.433 3.417 -2.412 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.357 3.346 -3.793 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.631 3.152 -4.775 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.364 1.548 -4.887 1.00 18.16 H new ATOM 639 N GLN A 41 -8.464 2.868 -0.959 1.00 6.52 N ATOM 640 CA GLN A 41 -7.301 2.248 -0.326 1.00 3.87 C ATOM 641 C GLN A 41 -6.467 3.296 0.414 1.00 4.79 C ATOM 642 O GLN A 41 -6.122 4.318 -0.098 1.00 6.34 O ATOM 643 CB GLN A 41 -6.357 1.528 -1.300 1.00 4.20 C ATOM 644 CG GLN A 41 -7.103 0.410 -2.027 1.00 3.20 C ATOM 645 CD GLN A 41 -6.223 -0.282 -3.030 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.009 -0.271 -2.881 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.848 -0.783 -4.136 1.00 7.13 N ATOM 0 H GLN A 41 -8.189 3.515 -1.698 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.724 1.506 0.351 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.957 2.239 -2.023 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.507 1.115 -0.756 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.469 -0.316 -1.301 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.976 0.823 -2.532 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.866 -0.763 -4.200 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.297 -1.177 -4.898 1.00 7.13 H new ATOM 656 N ARG A 42 -6.139 3.047 1.683 1.00 5.73 N ATOM 657 CA ARG A 42 -5.035 3.742 2.375 1.00 6.97 C ATOM 658 C ARG A 42 -3.950 2.765 2.887 1.00 7.15 C ATOM 659 O ARG A 42 -4.298 1.744 3.452 1.00 7.33 O ATOM 660 CB ARG A 42 -5.598 4.690 3.475 1.00 13.23 C ATOM 661 CG ARG A 42 -5.830 6.029 2.894 1.00 21.27 C ATOM 662 CD ARG A 42 -6.567 6.927 3.861 1.00 26.14 C ATOM 663 NE ARG A 42 -6.864 8.180 3.166 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.648 9.099 3.741 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.277 8.849 4.875 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.810 10.303 3.215 1.00 36.39 N ATOM 0 H ARG A 42 -6.624 2.363 2.264 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.516 4.370 1.651 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.529 4.289 3.876 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.896 4.758 4.306 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.875 6.483 2.628 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.405 5.933 1.973 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.487 6.451 4.200 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.960 7.115 4.747 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.472 8.353 2.240 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.170 7.942 5.329 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.870 9.563 5.297 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.331 10.550 2.349 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.414 10.984 3.676 1.00 36.39 H new ATOM 680 N LEU A 43 -2.678 3.178 2.745 1.00 4.65 N ATOM 681 CA LEU A 43 -1.539 2.327 3.126 1.00 3.51 C ATOM 682 C LEU A 43 -0.717 2.969 4.184 1.00 5.56 C ATOM 683 O LEU A 43 -0.220 4.067 4.040 1.00 4.19 O ATOM 684 CB LEU A 43 -0.672 1.828 1.953 1.00 3.74 C ATOM 685 CG LEU A 43 -1.436 0.762 1.093 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.767 0.406 -0.306 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.814 -0.580 1.749 1.00 6.41 C ATOM 0 H LEU A 43 -2.415 4.090 2.372 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.990 1.421 3.532 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.389 2.671 1.323 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.250 1.394 2.339 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.353 1.337 0.962 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.374 -0.339 -0.820 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.702 1.306 -0.918 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.234 0.007 -0.140 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.336 -1.205 1.024 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.910 -1.089 2.083 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.464 -0.396 2.605 1.00 6.41 H new ATOM 699 N ILE A 44 -0.648 2.344 5.386 1.00 4.58 N ATOM 700 CA ILE A 44 -0.122 2.914 6.605 1.00 5.55 C ATOM 701 C ILE A 44 1.102 2.114 7.033 1.00 5.46 C ATOM 702 O ILE A 44 1.042 0.911 7.279 1.00 6.04 O ATOM 703 CB ILE A 44 -1.227 3.095 7.644 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.423 3.814 6.998 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.615 3.842 8.853 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.456 4.439 7.922 1.00 13.90 C ATOM 0 H ILE A 44 -0.978 1.387 5.514 1.00 4.58 H new ATOM 0 HA ILE A 44 0.239 3.932 6.456 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.617 2.145 8.008 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.032 4.600 6.352 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.937 3.099 6.356 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.380 3.988 9.616 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.203 3.254 9.268 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.237 4.811 8.528 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.239 4.909 7.327 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.895 3.666 8.553 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.976 5.190 8.549 1.00 13.90 H new ATOM 718 N PHE A 45 2.212 2.840 7.163 1.00 6.75 N ATOM 719 CA PHE A 45 3.450 2.273 7.566 1.00 4.70 C ATOM 720 C PHE A 45 4.186 3.379 8.276 1.00 6.34 C ATOM 721 O PHE A 45 4.448 4.440 7.743 1.00 5.45 O ATOM 722 CB PHE A 45 4.289 1.878 6.298 1.00 5.51 C ATOM 723 CG PHE A 45 5.755 1.601 6.428 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.277 0.370 6.865 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.675 2.689 6.162 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.642 0.227 7.180 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.071 2.475 6.298 1.00 6.64 C ATOM 728 CZ PHE A 45 8.551 1.281 6.841 1.00 6.84 C ATOM 0 H PHE A 45 2.253 3.843 6.985 1.00 6.75 H new ATOM 0 HA PHE A 45 3.299 1.390 8.186 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.828 0.989 5.868 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.174 2.681 5.570 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.619 -0.481 6.961 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.300 3.656 5.862 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.999 -0.666 7.671 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.765 3.239 5.980 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.611 1.152 7.006 1.00 6.84 H new ATOM 738 N ALA A 46 4.609 3.039 9.529 1.00 6.53 N ATOM 739 CA ALA A 46 5.512 3.917 10.250 1.00 7.15 C ATOM 740 C ALA A 46 5.222 5.409 10.357 1.00 9.00 C ATOM 741 O ALA A 46 5.973 6.261 9.885 1.00 11.15 O ATOM 742 CB ALA A 46 6.969 3.723 9.984 1.00 8.99 C ATOM 0 H ALA A 46 4.338 2.190 10.026 1.00 6.53 H new ATOM 0 HA ALA A 46 5.248 3.521 11.231 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.545 4.433 10.577 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.256 2.707 10.255 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.171 3.887 8.925 1.00 8.99 H new ATOM 748 N GLY A 47 3.992 5.681 10.802 1.00 9.35 N ATOM 749 CA GLY A 47 3.515 7.038 11.101 1.00 11.68 C ATOM 750 C GLY A 47 3.205 7.830 9.852 1.00 11.14 C ATOM 751 O GLY A 47 2.920 9.037 9.994 1.00 13.93 O ATOM 0 H GLY A 47 3.291 4.959 10.967 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.620 6.977 11.720 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.270 7.565 11.684 1.00 11.68 H new ATOM 755 N LYS A 48 3.251 7.124 8.671 1.00 10.47 N ATOM 756 CA LYS A 48 3.176 7.705 7.381 1.00 8.82 C ATOM 757 C LYS A 48 2.131 6.950 6.624 1.00 7.68 C ATOM 758 O LYS A 48 2.004 5.731 6.625 1.00 6.47 O ATOM 759 CB LYS A 48 4.434 7.485 6.538 1.00 9.74 C ATOM 760 CG LYS A 48 5.583 8.381 7.088 1.00 14.14 C ATOM 761 CD LYS A 48 7.000 8.312 6.481 1.00 16.32 C ATOM 762 CE LYS A 48 7.698 6.995 6.651 1.00 20.04 C ATOM 763 NZ LYS A 48 8.165 6.893 8.051 1.00 23.92 N ATOM 0 H LYS A 48 3.345 6.109 8.645 1.00 10.47 H new ATOM 0 HA LYS A 48 2.999 8.770 7.529 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.728 6.436 6.569 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.234 7.729 5.495 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.250 9.415 7.005 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.679 8.161 8.151 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.934 8.537 5.416 1.00 16.32 H new ATOM 0 HD3 LYS A 48 7.612 9.092 6.934 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.021 6.174 6.416 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.541 6.920 5.963 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.860 6.123 8.130 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.608 7.790 8.335 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.356 6.694 8.673 1.00 23.92 H new ATOM 777 N GLN A 49 1.257 7.705 5.908 1.00 8.89 N ATOM 778 CA GLN A 49 0.067 7.239 5.178 1.00 7.18 C ATOM 779 C GLN A 49 0.288 7.310 3.652 1.00 8.23 C ATOM 780 O GLN A 49 -0.547 6.963 2.790 1.00 9.70 O ATOM 781 CB GLN A 49 -1.214 8.136 5.560 1.00 11.67 C ATOM 782 CG GLN A 49 -2.536 7.633 5.076 1.00 15.82 C ATOM 783 CD GLN A 49 -3.636 8.215 5.848 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.425 7.561 6.517 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.864 9.522 5.574 1.00 20.67 N ATOM 0 H GLN A 49 1.379 8.714 5.825 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.109 6.202 5.466 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.258 8.227 6.645 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.062 9.139 5.162 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.658 7.879 4.021 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.567 6.546 5.156 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.194 10.050 5.015 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.705 9.978 5.927 1.00 20.67 H new ATOM 794 N LEU A 50 1.586 7.646 3.307 1.00 6.51 N ATOM 795 CA LEU A 50 2.166 7.333 2.013 1.00 7.41 C ATOM 796 C LEU A 50 1.495 7.884 0.753 1.00 8.27 C ATOM 797 O LEU A 50 0.440 7.471 0.230 1.00 8.34 O ATOM 798 CB LEU A 50 2.364 5.805 1.805 1.00 7.13 C ATOM 799 CG LEU A 50 2.788 4.964 2.987 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.835 3.529 2.476 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.196 5.394 3.391 1.00 9.11 C ATOM 0 H LEU A 50 2.223 8.135 3.936 1.00 6.51 H new ATOM 0 HA LEU A 50 3.109 7.873 2.101 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.426 5.398 1.428 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.108 5.671 1.020 1.00 7.13 H new ATOM 0 HG LEU A 50 2.116 5.067 3.839 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.137 2.864 3.285 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.848 3.238 2.117 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.554 3.457 1.660 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.527 4.801 4.244 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.878 5.239 2.555 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.190 6.449 3.663 1.00 9.11 H new ATOM 813 N GLU A 51 2.146 8.861 0.138 1.00 9.43 N ATOM 814 CA GLU A 51 1.683 9.591 -1.048 1.00 11.90 C ATOM 815 C GLU A 51 1.953 8.922 -2.350 1.00 11.49 C ATOM 816 O GLU A 51 3.058 8.445 -2.587 1.00 9.88 O ATOM 817 CB GLU A 51 2.317 11.067 -1.044 1.00 16.56 C ATOM 818 CG GLU A 51 1.371 12.150 -0.396 1.00 26.06 C ATOM 819 CD GLU A 51 -0.005 12.273 -1.043 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.208 12.446 -2.274 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.959 12.184 -0.261 1.00 33.44 O ATOM 0 H GLU A 51 3.056 9.187 0.463 1.00 9.43 H new ATOM 0 HA GLU A 51 0.596 9.625 -0.970 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.262 11.048 -0.501 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.545 11.360 -2.069 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.240 11.911 0.659 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.867 13.120 -0.444 1.00 26.06 H new ATOM 828 N ASP A 52 0.869 8.897 -3.165 1.00 12.71 N ATOM 829 CA ASP A 52 0.732 8.296 -4.415 1.00 16.56 C ATOM 830 C ASP A 52 1.893 8.402 -5.398 1.00 15.83 C ATOM 831 O ASP A 52 2.362 7.424 -5.900 1.00 17.21 O ATOM 832 CB ASP A 52 -0.472 8.982 -5.105 1.00 21.05 C ATOM 833 CG ASP A 52 -1.703 8.783 -4.300 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.784 9.371 -3.176 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.581 7.969 -4.672 1.00 25.82 O ATOM 0 H ASP A 52 0.005 9.361 -2.886 1.00 12.71 H new ATOM 0 HA ASP A 52 0.640 7.232 -4.197 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.274 10.047 -5.224 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.611 8.570 -6.105 1.00 21.05 H new ATOM 840 N GLY A 53 2.396 9.625 -5.666 1.00 15.00 N ATOM 841 CA GLY A 53 3.426 9.948 -6.638 1.00 11.77 C ATOM 842 C GLY A 53 4.818 9.715 -6.257 1.00 11.10 C ATOM 843 O GLY A 53 5.725 10.137 -6.933 1.00 11.25 O ATOM 0 H GLY A 53 2.065 10.454 -5.172 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.225 9.374 -7.542 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.322 11.001 -6.899 1.00 11.77 H new ATOM 847 N ARG A 54 5.031 9.067 -5.145 1.00 8.53 N ATOM 848 CA ARG A 54 6.319 8.778 -4.638 1.00 9.05 C ATOM 849 C ARG A 54 6.506 7.328 -4.529 1.00 8.96 C ATOM 850 O ARG A 54 5.602 6.529 -4.797 1.00 11.60 O ATOM 851 CB ARG A 54 6.469 9.269 -3.236 1.00 7.97 C ATOM 852 CG ARG A 54 5.904 10.668 -3.070 1.00 9.62 C ATOM 853 CD ARG A 54 6.171 11.321 -1.728 1.00 12.20 C ATOM 854 NE ARG A 54 5.433 12.599 -1.643 1.00 18.23 N ATOM 855 CZ ARG A 54 5.572 13.497 -0.665 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.351 13.319 0.426 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.136 14.707 -0.917 1.00 23.38 N ATOM 0 H ARG A 54 4.276 8.718 -4.555 1.00 8.53 H new ATOM 0 HA ARG A 54 7.028 9.251 -5.318 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.960 8.587 -2.555 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.523 9.267 -2.960 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.317 11.304 -3.853 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.826 10.628 -3.228 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.862 10.657 -0.921 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.239 11.497 -1.604 1.00 12.20 H new ATOM 0 HE ARG A 54 4.768 12.810 -2.387 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.880 12.454 0.540 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.410 14.050 1.135 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.717 14.920 -1.822 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.215 15.436 -0.208 1.00 23.38 H new ATOM 871 N THR A 55 7.747 6.900 -4.276 1.00 9.05 N ATOM 872 CA THR A 55 8.235 5.495 -4.237 1.00 9.03 C ATOM 873 C THR A 55 8.510 4.905 -2.909 1.00 8.15 C ATOM 874 O THR A 55 8.614 5.559 -1.898 1.00 5.91 O ATOM 875 CB THR A 55 9.532 5.332 -5.071 1.00 11.15 C ATOM 876 OG1 THR A 55 10.462 6.357 -4.760 1.00 11.95 O ATOM 877 CG2 THR A 55 9.267 5.552 -6.604 1.00 11.71 C ATOM 0 H THR A 55 8.497 7.562 -4.078 1.00 9.05 H new ATOM 0 HA THR A 55 7.382 4.954 -4.647 1.00 9.03 H new ATOM 0 HB THR A 55 9.894 4.329 -4.844 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.330 5.957 -4.546 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.199 5.430 -7.156 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.539 4.821 -6.956 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.879 6.558 -6.766 1.00 11.71 H new ATOM 885 N LEU A 56 8.657 3.588 -2.871 1.00 6.91 N ATOM 886 CA LEU A 56 9.055 2.787 -1.729 1.00 8.29 C ATOM 887 C LEU A 56 10.397 3.161 -1.152 1.00 8.05 C ATOM 888 O LEU A 56 10.595 3.264 0.030 1.00 10.17 O ATOM 889 CB LEU A 56 9.027 1.361 -2.108 1.00 6.60 C ATOM 890 CG LEU A 56 7.666 0.661 -2.423 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.760 -0.851 -2.550 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.652 0.969 -1.327 1.00 8.64 C ATOM 0 H LEU A 56 8.489 3.014 -3.697 1.00 6.91 H new ATOM 0 HA LEU A 56 8.337 2.987 -0.933 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.661 1.247 -2.987 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.499 0.802 -1.300 1.00 6.60 H new ATOM 0 HG LEU A 56 7.357 1.059 -3.390 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.774 -1.260 -2.769 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.446 -1.106 -3.358 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.128 -1.273 -1.615 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.707 0.476 -1.557 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.028 0.605 -0.371 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.495 2.046 -1.269 1.00 8.64 H new ATOM 904 N SER A 57 11.281 3.502 -2.096 1.00 8.92 N ATOM 905 CA SER A 57 12.571 4.127 -1.887 1.00 9.00 C ATOM 906 C SER A 57 12.482 5.418 -1.024 1.00 9.44 C ATOM 907 O SER A 57 13.160 5.539 -0.010 1.00 10.91 O ATOM 908 CB SER A 57 13.489 4.319 -3.140 1.00 10.32 C ATOM 909 OG SER A 57 12.721 4.816 -4.236 1.00 13.59 O ATOM 0 H SER A 57 11.093 3.334 -3.084 1.00 8.92 H new ATOM 0 HA SER A 57 13.100 3.364 -1.316 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.296 5.013 -2.907 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.952 3.370 -3.410 1.00 10.32 H new ATOM 0 HG SER A 57 12.145 4.103 -4.582 1.00 13.59 H new ATOM 915 N ASP A 58 11.610 6.317 -1.365 1.00 9.11 N ATOM 916 CA ASP A 58 11.470 7.652 -0.725 1.00 7.91 C ATOM 917 C ASP A 58 11.028 7.425 0.697 1.00 9.12 C ATOM 918 O ASP A 58 11.353 8.124 1.607 1.00 8.61 O ATOM 919 CB ASP A 58 10.489 8.500 -1.569 1.00 8.41 C ATOM 920 CG ASP A 58 10.745 10.020 -1.315 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.232 10.496 -0.257 1.00 10.05 O ATOM 922 OD2 ASP A 58 11.407 10.691 -2.139 1.00 11.70 O ATOM 0 H ASP A 58 10.939 6.167 -2.119 1.00 9.11 H new ATOM 0 HA ASP A 58 12.404 8.213 -0.689 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.616 8.273 -2.627 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.461 8.247 -1.310 1.00 8.41 H new ATOM 927 N TYR A 59 10.236 6.365 0.963 1.00 7.97 N ATOM 928 CA TYR A 59 9.666 6.130 2.234 1.00 8.45 C ATOM 929 C TYR A 59 10.436 5.132 3.106 1.00 10.98 C ATOM 930 O TYR A 59 10.048 4.814 4.233 1.00 12.95 O ATOM 931 CB TYR A 59 8.227 5.590 2.061 1.00 7.94 C ATOM 932 CG TYR A 59 7.238 6.750 1.769 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.174 7.806 2.670 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.409 6.805 0.668 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.348 8.933 2.452 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.533 7.866 0.464 1.00 6.52 C ATOM 937 CZ TYR A 59 5.480 8.927 1.370 1.00 6.76 C ATOM 938 OH TYR A 59 4.588 9.996 1.214 1.00 7.63 O ATOM 0 H TYR A 59 9.993 5.660 0.267 1.00 7.97 H new ATOM 0 HA TYR A 59 9.694 7.092 2.745 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.200 4.868 1.245 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.920 5.062 2.964 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.775 7.765 3.566 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.441 6.003 -0.055 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.392 9.783 3.116 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.888 7.869 -0.403 1.00 6.52 H new ATOM 0 HH TYR A 59 4.984 10.810 1.589 1.00 7.63 H new ATOM 948 N ASN A 60 11.611 4.607 2.614 1.00 12.38 N ATOM 949 CA ASN A 60 12.501 3.606 3.169 1.00 13.94 C ATOM 950 C ASN A 60 11.722 2.346 3.516 1.00 14.16 C ATOM 951 O ASN A 60 11.866 1.743 4.565 1.00 14.26 O ATOM 952 CB ASN A 60 13.254 4.169 4.378 1.00 19.23 C ATOM 953 CG ASN A 60 14.150 5.299 3.994 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.961 5.133 3.090 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.956 6.495 4.647 1.00 24.09 N ATOM 0 H ASN A 60 11.967 4.935 1.716 1.00 12.38 H new ATOM 0 HA ASN A 60 13.247 3.335 2.422 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.538 4.510 5.126 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.844 3.377 4.840 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.506 7.314 4.386 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.263 6.563 5.392 1.00 24.09 H new ATOM 962 N ILE A 61 10.814 1.918 2.650 1.00 11.08 N ATOM 963 CA ILE A 61 10.122 0.651 2.722 1.00 11.78 C ATOM 964 C ILE A 61 10.982 -0.422 1.993 1.00 13.74 C ATOM 965 O ILE A 61 11.477 -0.191 0.876 1.00 14.60 O ATOM 966 CB ILE A 61 8.784 0.750 2.102 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.893 1.651 3.010 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.099 -0.650 1.847 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.569 2.131 2.281 1.00 11.42 C ATOM 0 H ILE A 61 10.531 2.475 1.843 1.00 11.08 H new ATOM 0 HA ILE A 61 9.982 0.368 3.765 1.00 11.78 H new ATOM 0 HB ILE A 61 8.902 1.192 1.113 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.627 1.101 3.913 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.466 2.523 3.325 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.121 -0.499 1.390 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.723 -1.244 1.180 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.980 -1.175 2.795 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.986 2.755 2.959 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.831 2.706 1.393 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.979 1.262 1.990 1.00 11.42 H new ATOM 981 N GLN A 62 11.134 -1.594 2.615 1.00 13.97 N ATOM 982 CA GLN A 62 12.152 -2.628 2.284 1.00 15.52 C ATOM 983 C GLN A 62 11.609 -4.069 2.394 1.00 13.94 C ATOM 984 O GLN A 62 10.443 -4.219 2.692 1.00 12.15 O ATOM 985 CB GLN A 62 13.362 -2.423 3.260 1.00 19.53 C ATOM 986 CG GLN A 62 12.893 -2.408 4.777 1.00 26.38 C ATOM 987 CD GLN A 62 14.150 -2.830 5.533 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.186 -2.210 5.393 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.027 -3.849 6.428 1.00 32.71 N ATOM 0 H GLN A 62 10.536 -1.871 3.393 1.00 13.97 H new ATOM 0 HA GLN A 62 12.452 -2.505 1.243 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.089 -3.221 3.111 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.865 -1.485 3.025 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.551 -1.419 5.083 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.068 -3.098 4.950 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.141 -4.346 6.517 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.821 -4.115 7.010 1.00 32.71 H new ATOM 998 N LYS A 63 12.375 -5.141 2.147 1.00 11.73 N ATOM 999 CA LYS A 63 11.916 -6.544 2.091 1.00 11.97 C ATOM 1000 C LYS A 63 11.305 -7.034 3.398 1.00 10.41 C ATOM 1001 O LYS A 63 11.975 -6.961 4.453 1.00 9.59 O ATOM 1002 CB LYS A 63 13.170 -7.422 1.790 1.00 13.73 C ATOM 1003 CG LYS A 63 13.012 -8.919 1.687 1.00 16.98 C ATOM 1004 CD LYS A 63 14.318 -9.497 1.019 1.00 20.19 C ATOM 1005 CE LYS A 63 14.550 -11.044 1.162 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.712 -11.462 0.387 1.00 25.97 N ATOM 0 H LYS A 63 13.376 -5.054 1.973 1.00 11.73 H new ATOM 0 HA LYS A 63 11.141 -6.615 1.328 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.598 -7.072 0.851 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.905 -7.222 2.570 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.862 -9.356 2.674 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.135 -9.170 1.091 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.296 -9.252 -0.043 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.178 -8.982 1.447 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.695 -11.300 2.212 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.666 -11.583 0.821 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.850 -12.487 0.494 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.560 -11.236 -0.617 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.557 -10.962 0.730 1.00 25.97 H new ATOM 1020 N GLU A 64 10.026 -7.456 3.364 1.00 10.04 N ATOM 1021 CA GLU A 64 9.231 -7.930 4.445 1.00 10.94 C ATOM 1022 C GLU A 64 8.574 -6.890 5.258 1.00 9.74 C ATOM 1023 O GLU A 64 7.983 -7.193 6.293 1.00 9.42 O ATOM 1024 CB GLU A 64 9.877 -9.082 5.306 1.00 18.31 C ATOM 1025 CG GLU A 64 10.565 -10.122 4.420 1.00 24.16 C ATOM 1026 CD GLU A 64 10.729 -11.427 5.229 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.345 -11.372 6.301 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.177 -12.502 4.897 1.00 31.72 O ATOM 0 H GLU A 64 9.504 -7.463 2.488 1.00 10.04 H new ATOM 0 HA GLU A 64 8.410 -8.413 3.915 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.602 -8.657 6.000 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.106 -9.566 5.906 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.974 -10.305 3.523 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.538 -9.755 4.092 1.00 24.16 H new ATOM 1035 N SER A 65 8.668 -5.649 4.777 1.00 6.85 N ATOM 1036 CA SER A 65 7.914 -4.613 5.536 1.00 6.90 C ATOM 1037 C SER A 65 6.450 -4.856 5.471 1.00 4.72 C ATOM 1038 O SER A 65 5.873 -5.314 4.500 1.00 3.91 O ATOM 1039 CB SER A 65 8.125 -3.210 4.847 1.00 7.28 C ATOM 1040 OG SER A 65 9.485 -2.795 4.802 1.00 10.56 O ATOM 0 H SER A 65 9.193 -5.343 3.958 1.00 6.85 H new ATOM 0 HA SER A 65 8.273 -4.644 6.565 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.733 -3.251 3.831 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.543 -2.460 5.383 1.00 7.28 H new ATOM 0 HG SER A 65 9.977 -3.354 4.165 1.00 10.56 H new ATOM 1046 N THR A 66 5.787 -4.595 6.600 1.00 4.48 N ATOM 1047 CA THR A 66 4.382 -4.725 6.702 1.00 3.80 C ATOM 1048 C THR A 66 3.788 -3.341 6.534 1.00 4.60 C ATOM 1049 O THR A 66 4.108 -2.438 7.299 1.00 5.33 O ATOM 1050 CB THR A 66 4.050 -5.182 8.144 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.442 -6.552 8.272 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.623 -5.193 8.637 1.00 3.40 C ATOM 0 H THR A 66 6.239 -4.287 7.461 1.00 4.48 H new ATOM 0 HA THR A 66 3.999 -5.428 5.962 1.00 3.80 H new ATOM 0 HB THR A 66 4.568 -4.422 8.729 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.243 -6.866 9.179 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.597 -5.543 9.669 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.213 -4.184 8.586 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.027 -5.859 8.013 1.00 3.40 H new ATOM 1060 N LEU A 67 2.782 -3.282 5.668 1.00 4.17 N ATOM 1061 CA LEU A 67 1.971 -2.145 5.579 1.00 3.85 C ATOM 1062 C LEU A 67 0.564 -2.511 6.007 1.00 3.80 C ATOM 1063 O LEU A 67 0.137 -3.655 5.957 1.00 5.54 O ATOM 1064 CB LEU A 67 1.821 -1.693 4.164 1.00 7.18 C ATOM 1065 CG LEU A 67 3.143 -1.688 3.344 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.786 -1.085 1.951 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.217 -0.847 4.067 1.00 11.66 C ATOM 0 H LEU A 67 2.533 -4.034 5.025 1.00 4.17 H new ATOM 0 HA LEU A 67 2.432 -1.374 6.196 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.101 -2.340 3.664 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.402 -0.687 4.160 1.00 7.18 H new ATOM 0 HG LEU A 67 3.557 -2.690 3.234 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.680 -1.056 1.327 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.028 -1.704 1.470 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.400 -0.074 2.080 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.137 -0.852 3.483 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.863 0.178 4.178 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.410 -1.273 5.052 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.252 -1.506 6.566 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.537 -1.776 7.047 1.00 4.17 C ATOM 1081 C HIS A 68 -2.467 -1.125 5.974 1.00 5.32 C ATOM 1082 O HIS A 68 -2.308 0.012 5.580 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.883 -0.974 8.307 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.001 -1.267 9.482 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.291 -0.753 9.644 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.052 -2.263 10.430 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.886 -1.476 10.632 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.091 -2.367 11.171 1.00 16.30 N ATOM 0 H HIS A 68 0.032 -0.531 6.657 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.629 -2.844 7.244 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.820 0.089 8.076 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.917 -1.180 8.583 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.708 0.017 9.121 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.912 -2.900 10.574 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.911 -1.330 10.941 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.373 -1.928 5.377 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.352 -1.484 4.394 1.00 3.97 C ATOM 1098 C LEU A 69 -5.613 -1.083 4.983 1.00 5.07 C ATOM 1099 O LEU A 69 -6.406 -1.971 5.307 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.518 -2.552 3.383 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.655 -2.453 2.351 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.633 -1.137 1.581 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.519 -3.511 1.256 1.00 9.96 C ATOM 0 H LEU A 69 -3.436 -2.926 5.579 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.977 -0.580 3.914 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.582 -2.626 2.830 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.646 -3.492 3.920 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.562 -2.568 2.944 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.456 -1.120 0.867 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.740 -0.306 2.278 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.687 -1.043 1.047 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.340 -3.408 0.547 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.571 -3.376 0.735 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.549 -4.504 1.704 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.822 0.250 5.206 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.086 0.806 5.797 1.00 6.26 C ATOM 1117 C VAL A 70 -8.009 1.186 4.662 1.00 9.22 C ATOM 1118 O VAL A 70 -7.737 2.109 3.851 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.770 2.055 6.607 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.006 2.750 7.112 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.038 1.569 7.820 1.00 8.54 C ATOM 0 H VAL A 70 -5.129 0.965 4.985 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.550 0.063 6.445 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.217 2.754 5.980 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.719 3.633 7.683 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.626 3.049 6.267 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.569 2.071 7.753 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.778 2.418 8.452 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.675 0.883 8.378 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.128 1.052 7.513 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.155 0.423 4.560 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.039 0.694 3.482 1.00 16.06 C ATOM 1133 C LEU A 71 -11.136 1.686 3.777 1.00 18.09 C ATOM 1134 O LEU A 71 -11.582 1.905 4.917 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.794 -0.559 2.851 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.813 -1.628 2.313 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.516 -2.929 1.888 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.079 -1.047 1.083 1.00 19.57 C ATOM 0 H LEU A 71 -9.433 -0.327 5.193 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.310 1.096 2.779 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.439 -1.009 3.605 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.439 -0.221 2.040 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.125 -1.875 3.122 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.776 -3.639 1.520 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.036 -3.358 2.745 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.235 -2.713 1.098 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.383 -1.788 0.691 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.807 -0.790 0.313 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.529 -0.153 1.376 1.00 19.57 H new