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 7 THR OG1 : rot 180:sc= 0.0208 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 140:sc= -0.0628 (180deg=-1.56) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.28 (180deg=1.27) 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+ -129:sc= 0.938 (180deg=-1.31!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.17 K(o=1.2,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.23) USER MOD Single : A 29 LYS NZ :NH3+ -107:sc= 1.08 (180deg=-0.475) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0344 K(o=-0.034,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -0.777 K(o=-0.78,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.402 K(o=-0.4,f=-2.7!) USER MOD Single : A 55 THR OG1 : rot -60:sc= 1.22 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.404 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00377 K(o=-0.0038,f=-0.81) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.939 -4.290 -3.852 1.00 0.78 N ATOM 2 CA MET A 1 12.798 -4.955 -2.538 1.00 0.70 C ATOM 3 C MET A 1 11.446 -5.574 -2.436 1.00 0.62 C ATOM 4 O MET A 1 10.497 -5.173 -3.108 1.00 0.68 O ATOM 5 CB MET A 1 13.084 -3.936 -1.423 1.00 0.75 C ATOM 6 CG MET A 1 11.949 -2.995 -1.013 1.00 0.79 C ATOM 7 SD MET A 1 12.486 -1.789 0.237 1.00 1.10 S ATOM 8 CE MET A 1 10.935 -0.857 0.099 1.00 0.84 C ATOM 0 H1 MET A 1 13.598 -3.490 -3.767 1.00 0.78 H new ATOM 0 H2 MET A 1 13.308 -4.970 -4.547 1.00 0.78 H new ATOM 0 H3 MET A 1 12.011 -3.942 -4.166 1.00 0.78 H new ATOM 0 HA MET A 1 13.522 -5.762 -2.429 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.399 -4.487 -0.537 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.930 -3.325 -1.736 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.580 -2.467 -1.892 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.117 -3.579 -0.620 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.614 -0.536 1.090 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.091 0.017 -0.533 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.167 -1.492 -0.343 1.00 0.84 H new ATOM 20 N GLN A 2 11.216 -6.531 -1.518 1.00 0.59 N ATOM 21 CA GLN A 2 9.983 -7.247 -1.395 1.00 0.56 C ATOM 22 C GLN A 2 9.243 -6.725 -0.212 1.00 0.50 C ATOM 23 O GLN A 2 9.853 -6.877 0.845 1.00 0.60 O ATOM 24 CB GLN A 2 10.141 -8.766 -1.214 1.00 0.71 C ATOM 25 CG GLN A 2 8.800 -9.502 -1.239 1.00 1.15 C ATOM 26 CD GLN A 2 9.011 -11.007 -1.316 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.054 -11.520 -2.434 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.184 -11.684 -0.149 1.00 1.72 N ATOM 0 H GLN A 2 11.917 -6.817 -0.834 1.00 0.59 H new ATOM 0 HA GLN A 2 9.451 -7.091 -2.334 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.782 -9.158 -2.004 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.644 -8.965 -0.268 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.228 -9.256 -0.344 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.213 -9.168 -2.095 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.134 -11.188 0.741 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.364 -12.688 -0.164 1.00 1.72 H new ATOM 37 N ILE A 3 8.020 -6.188 -0.371 1.00 0.44 N ATOM 38 CA ILE A 3 7.153 -5.821 0.705 1.00 0.42 C ATOM 39 C ILE A 3 5.875 -6.587 0.751 1.00 0.40 C ATOM 40 O ILE A 3 5.655 -7.393 -0.151 1.00 0.50 O ATOM 41 CB ILE A 3 7.074 -4.324 0.692 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.181 -3.855 -0.468 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.476 -3.693 0.623 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.645 -2.428 -0.368 1.00 0.72 C ATOM 0 H ILE A 3 7.618 -6.002 -1.290 1.00 0.44 H new ATOM 0 HA ILE A 3 7.555 -6.123 1.672 1.00 0.42 H new ATOM 0 HB ILE A 3 6.622 -3.989 1.626 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.747 -3.945 -1.395 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.333 -4.536 -0.545 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.386 -2.607 0.615 1.00 0.61 H new ATOM 0 HG22 ILE A 3 9.057 -4.003 1.491 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.979 -4.022 -0.286 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.029 -2.209 -1.240 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.043 -2.328 0.535 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.479 -1.728 -0.328 1.00 0.72 H new ATOM 56 N PHE A 4 5.048 -6.401 1.795 1.00 0.37 N ATOM 57 CA PHE A 4 3.799 -7.037 2.075 1.00 0.38 C ATOM 58 C PHE A 4 2.799 -5.950 2.270 1.00 0.39 C ATOM 59 O PHE A 4 3.066 -4.898 2.848 1.00 0.60 O ATOM 60 CB PHE A 4 3.856 -7.917 3.334 1.00 0.45 C ATOM 61 CG PHE A 4 4.842 -9.029 3.228 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.886 -9.777 2.075 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.845 -9.194 4.152 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.708 -10.874 1.955 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.781 -10.185 3.977 1.00 1.40 C ATOM 66 CZ PHE A 4 6.659 -11.067 2.928 1.00 0.85 C ATOM 0 H PHE A 4 5.285 -5.728 2.523 1.00 0.37 H new ATOM 0 HA PHE A 4 3.536 -7.697 1.248 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.110 -7.296 4.193 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.867 -8.334 3.523 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.259 -9.496 1.242 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.898 -8.546 5.014 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.609 -11.559 1.126 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.611 -10.271 4.662 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.318 -11.921 2.869 1.00 0.85 H new ATOM 76 N VAL A 5 1.568 -6.131 1.759 1.00 0.35 N ATOM 77 CA VAL A 5 0.431 -5.294 1.985 1.00 0.35 C ATOM 78 C VAL A 5 -0.688 -6.182 2.408 1.00 0.35 C ATOM 79 O VAL A 5 -1.124 -7.035 1.636 1.00 0.46 O ATOM 80 CB VAL A 5 -0.086 -4.479 0.836 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.367 -3.701 1.186 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.901 -3.381 0.404 1.00 0.56 C ATOM 0 H VAL A 5 1.354 -6.917 1.145 1.00 0.35 H new ATOM 0 HA VAL A 5 0.775 -4.563 2.717 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.255 -5.220 0.055 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.695 -3.130 0.317 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.150 -4.401 1.476 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.165 -3.020 2.013 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.479 -2.820 -0.430 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.083 -2.706 1.240 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.841 -3.838 0.096 1.00 0.56 H new ATOM 92 N LYS A 6 -1.161 -6.034 3.657 1.00 0.36 N ATOM 93 CA LYS A 6 -2.178 -6.903 4.166 1.00 0.39 C ATOM 94 C LYS A 6 -3.539 -6.413 3.808 1.00 0.46 C ATOM 95 O LYS A 6 -3.816 -5.215 3.813 1.00 0.53 O ATOM 96 CB LYS A 6 -2.069 -7.189 5.672 1.00 0.54 C ATOM 97 CG LYS A 6 -0.862 -8.016 6.122 1.00 1.22 C ATOM 98 CD LYS A 6 -0.717 -8.261 7.626 1.00 1.37 C ATOM 99 CE LYS A 6 -1.865 -9.049 8.260 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.679 -9.057 9.728 1.00 2.09 N ATOM 0 H LYS A 6 -0.843 -5.319 4.311 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.009 -7.861 3.675 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.046 -6.236 6.200 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.975 -7.707 5.988 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.908 -8.984 5.623 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.042 -7.518 5.770 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.215 -8.797 7.805 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.633 -7.298 8.131 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.822 -8.596 8.003 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.881 -10.069 7.875 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.453 -9.590 10.173 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.771 -9.507 9.960 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.682 -8.080 10.084 1.00 2.09 H new ATOM 114 N THR A 7 -4.499 -7.304 3.501 1.00 0.58 N ATOM 115 CA THR A 7 -5.844 -6.909 3.222 1.00 0.78 C ATOM 116 C THR A 7 -6.671 -6.832 4.459 1.00 0.94 C ATOM 117 O THR A 7 -6.337 -7.280 5.554 1.00 0.99 O ATOM 118 CB THR A 7 -6.637 -7.800 2.313 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.837 -9.132 2.764 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.842 -8.006 1.012 1.00 0.92 C ATOM 0 H THR A 7 -4.340 -8.310 3.446 1.00 0.58 H new ATOM 0 HA THR A 7 -5.677 -5.950 2.731 1.00 0.78 H new ATOM 0 HB THR A 7 -7.598 -7.293 2.230 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.365 -9.626 2.102 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.406 -8.653 0.340 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.674 -7.042 0.532 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.883 -8.470 1.241 1.00 0.92 H new ATOM 128 N LEU A 8 -7.897 -6.279 4.445 1.00 1.17 N ATOM 129 CA LEU A 8 -8.891 -6.236 5.472 1.00 1.39 C ATOM 130 C LEU A 8 -9.274 -7.587 5.969 1.00 1.44 C ATOM 131 O LEU A 8 -9.538 -7.656 7.168 1.00 1.60 O ATOM 132 CB LEU A 8 -10.104 -5.410 5.009 1.00 1.66 C ATOM 133 CG LEU A 8 -9.922 -3.899 4.784 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.949 -3.360 3.775 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.873 -3.180 6.142 1.00 2.43 C ATOM 0 H LEU A 8 -8.228 -5.803 3.606 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.451 -5.733 6.333 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.463 -5.843 4.075 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.896 -5.542 5.746 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.963 -3.691 4.310 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.796 -2.290 3.636 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.824 -3.871 2.820 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.956 -3.536 4.152 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.744 -2.109 5.982 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.804 -3.357 6.681 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.037 -3.563 6.727 1.00 2.43 H new ATOM 147 N THR A 9 -9.284 -8.633 5.122 1.00 1.41 N ATOM 148 CA THR A 9 -9.773 -9.936 5.444 1.00 1.51 C ATOM 149 C THR A 9 -8.753 -10.866 6.008 1.00 1.37 C ATOM 150 O THR A 9 -9.144 -11.735 6.785 1.00 1.62 O ATOM 151 CB THR A 9 -10.561 -10.608 4.360 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.783 -10.734 3.178 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.801 -9.744 4.073 1.00 2.08 C ATOM 0 H THR A 9 -8.934 -8.565 4.166 1.00 1.41 H new ATOM 0 HA THR A 9 -10.477 -9.711 6.245 1.00 1.51 H new ATOM 0 HB THR A 9 -10.851 -11.608 4.681 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.314 -11.176 2.483 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.395 -10.210 3.286 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.402 -9.658 4.978 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.486 -8.751 3.751 1.00 2.08 H new ATOM 161 N GLY A 10 -7.476 -10.823 5.589 1.00 1.18 N ATOM 162 CA GLY A 10 -6.568 -11.719 6.234 1.00 1.22 C ATOM 163 C GLY A 10 -5.376 -12.015 5.390 1.00 0.99 C ATOM 164 O GLY A 10 -4.371 -12.586 5.811 1.00 1.31 O ATOM 0 H GLY A 10 -7.092 -10.219 4.862 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.243 -11.286 7.180 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.084 -12.649 6.470 1.00 1.22 H new ATOM 168 N LYS A 11 -5.555 -11.696 4.096 1.00 0.73 N ATOM 169 CA LYS A 11 -4.651 -12.048 3.046 1.00 0.60 C ATOM 170 C LYS A 11 -3.545 -11.055 2.927 1.00 0.51 C ATOM 171 O LYS A 11 -3.622 -9.876 3.268 1.00 0.63 O ATOM 172 CB LYS A 11 -5.316 -12.249 1.674 1.00 0.75 C ATOM 173 CG LYS A 11 -4.475 -12.977 0.622 1.00 0.87 C ATOM 174 CD LYS A 11 -5.081 -13.183 -0.767 1.00 1.04 C ATOM 175 CE LYS A 11 -5.030 -11.907 -1.611 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.275 -12.234 -3.033 1.00 1.40 N ATOM 0 H LYS A 11 -6.365 -11.170 3.768 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.250 -13.018 3.341 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.242 -12.805 1.819 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.590 -11.271 1.278 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.542 -12.426 0.501 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.216 -13.957 1.022 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.544 -13.980 -1.282 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.116 -13.510 -0.666 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.778 -11.197 -1.258 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.058 -11.427 -1.502 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.526 -11.814 -3.620 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.274 -13.267 -3.157 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.197 -11.851 -3.323 1.00 1.40 H new ATOM 190 N THR A 12 -2.338 -11.491 2.524 1.00 0.49 N ATOM 191 CA THR A 12 -1.170 -10.688 2.331 1.00 0.48 C ATOM 192 C THR A 12 -0.799 -10.721 0.888 1.00 0.52 C ATOM 193 O THR A 12 -0.674 -11.786 0.288 1.00 0.72 O ATOM 194 CB THR A 12 -0.043 -11.078 3.241 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.512 -11.285 4.565 1.00 0.77 O ATOM 196 CG2 THR A 12 0.953 -9.907 3.215 1.00 0.78 C ATOM 0 H THR A 12 -2.167 -12.475 2.319 1.00 0.49 H new ATOM 0 HA THR A 12 -1.394 -9.658 2.608 1.00 0.48 H new ATOM 0 HB THR A 12 0.418 -12.009 2.912 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.238 -11.540 5.142 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.799 -10.135 3.863 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.307 -9.753 2.196 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.459 -9.002 3.568 1.00 0.78 H new ATOM 204 N ILE A 13 -0.603 -9.561 0.234 1.00 0.48 N ATOM 205 CA ILE A 13 -0.186 -9.480 -1.132 1.00 0.55 C ATOM 206 C ILE A 13 1.296 -9.319 -1.127 1.00 0.51 C ATOM 207 O ILE A 13 1.857 -8.600 -0.302 1.00 0.56 O ATOM 208 CB ILE A 13 -0.791 -8.292 -1.818 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.262 -8.048 -1.441 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.677 -8.536 -3.332 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.866 -6.752 -1.977 1.00 1.55 C ATOM 0 H ILE A 13 -0.739 -8.649 0.671 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.504 -10.377 -1.664 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.252 -7.400 -1.501 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.857 -8.885 -1.806 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.346 -8.047 -0.354 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.107 -7.691 -3.870 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.373 -8.643 -3.605 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.215 -9.446 -3.595 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.905 -6.675 -1.656 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.303 -5.902 -1.592 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.822 -6.753 -3.066 1.00 1.55 H new ATOM 223 N THR A 14 2.033 -10.007 -2.016 1.00 0.55 N ATOM 224 CA THR A 14 3.449 -9.835 -2.132 1.00 0.54 C ATOM 225 C THR A 14 3.831 -8.866 -3.197 1.00 0.55 C ATOM 226 O THR A 14 3.688 -9.180 -4.378 1.00 0.72 O ATOM 227 CB THR A 14 4.242 -11.094 -2.319 1.00 0.67 C ATOM 228 OG1 THR A 14 3.977 -12.070 -1.323 1.00 1.08 O ATOM 229 CG2 THR A 14 5.755 -10.818 -2.346 1.00 1.03 C ATOM 0 H THR A 14 1.642 -10.692 -2.663 1.00 0.55 H new ATOM 0 HA THR A 14 3.713 -9.436 -1.153 1.00 0.54 H new ATOM 0 HB THR A 14 3.922 -11.489 -3.283 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.519 -12.868 -1.495 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.294 -11.756 -2.483 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.987 -10.143 -3.169 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.058 -10.360 -1.405 1.00 1.03 H new ATOM 237 N LEU A 15 4.376 -7.679 -2.878 1.00 0.50 N ATOM 238 CA LEU A 15 4.726 -6.682 -3.841 1.00 0.55 C ATOM 239 C LEU A 15 6.195 -6.438 -3.879 1.00 0.52 C ATOM 240 O LEU A 15 6.923 -6.583 -2.898 1.00 0.58 O ATOM 241 CB LEU A 15 3.984 -5.354 -3.618 1.00 0.69 C ATOM 242 CG LEU A 15 2.449 -5.371 -3.717 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.899 -4.220 -2.856 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.972 -5.260 -5.174 1.00 1.55 C ATOM 0 H LEU A 15 4.580 -7.404 -1.917 1.00 0.50 H new ATOM 0 HA LEU A 15 4.412 -7.083 -4.805 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.253 -4.981 -2.630 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.360 -4.633 -4.344 1.00 0.69 H new ATOM 0 HG LEU A 15 2.071 -6.323 -3.346 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.810 -4.212 -2.911 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.209 -4.360 -1.820 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.288 -3.271 -3.226 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.882 -5.276 -5.202 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.333 -4.326 -5.605 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.362 -6.100 -5.749 1.00 1.55 H new ATOM 256 N GLU A 16 6.703 -6.075 -5.070 1.00 0.59 N ATOM 257 CA GLU A 16 8.069 -5.774 -5.374 1.00 0.63 C ATOM 258 C GLU A 16 8.032 -4.332 -5.743 1.00 0.65 C ATOM 259 O GLU A 16 7.629 -4.053 -6.872 1.00 0.81 O ATOM 260 CB GLU A 16 8.472 -6.678 -6.552 1.00 0.76 C ATOM 261 CG GLU A 16 8.331 -8.173 -6.260 1.00 1.41 C ATOM 262 CD GLU A 16 9.047 -8.995 -7.322 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.494 -9.287 -8.416 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.204 -9.359 -6.983 1.00 1.92 O ATOM 0 H GLU A 16 6.105 -5.985 -5.891 1.00 0.59 H new ATOM 0 HA GLU A 16 8.787 -5.945 -4.572 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.858 -6.427 -7.417 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.506 -6.466 -6.823 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.745 -8.398 -5.277 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.276 -8.446 -6.231 1.00 1.41 H new ATOM 271 N VAL A 17 8.599 -3.478 -4.872 1.00 0.61 N ATOM 272 CA VAL A 17 8.696 -2.071 -5.102 1.00 0.63 C ATOM 273 C VAL A 17 10.156 -1.772 -5.066 1.00 0.65 C ATOM 274 O VAL A 17 11.031 -2.570 -4.737 1.00 0.76 O ATOM 275 CB VAL A 17 8.046 -1.178 -4.088 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.616 -1.739 -4.005 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.686 -1.505 -2.729 1.00 0.92 C ATOM 0 H VAL A 17 9.001 -3.775 -3.983 1.00 0.61 H new ATOM 0 HA VAL A 17 8.177 -1.866 -6.038 1.00 0.63 H new ATOM 0 HB VAL A 17 8.118 -0.116 -4.325 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.039 -1.159 -3.285 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.143 -1.676 -4.985 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.652 -2.781 -3.686 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.242 -0.876 -1.957 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.512 -2.554 -2.488 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.759 -1.317 -2.777 1.00 0.92 H new ATOM 287 N GLU A 18 10.495 -0.533 -5.464 1.00 0.68 N ATOM 288 CA GLU A 18 11.803 0.017 -5.283 1.00 0.74 C ATOM 289 C GLU A 18 11.578 1.312 -4.583 1.00 0.71 C ATOM 290 O GLU A 18 10.482 1.866 -4.668 1.00 0.74 O ATOM 291 CB GLU A 18 12.359 0.277 -6.692 1.00 0.88 C ATOM 292 CG GLU A 18 12.578 -1.073 -7.379 1.00 1.16 C ATOM 293 CD GLU A 18 14.067 -1.284 -7.609 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.893 -1.470 -6.675 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.376 -1.312 -8.830 1.00 2.35 O ATOM 0 H GLU A 18 9.843 0.103 -5.923 1.00 0.68 H new ATOM 0 HA GLU A 18 12.489 -0.620 -4.725 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.664 0.888 -7.268 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.296 0.830 -6.634 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.176 -1.877 -6.763 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.044 -1.102 -8.329 1.00 1.16 H new ATOM 302 N PRO A 19 12.544 1.804 -3.865 1.00 0.74 N ATOM 303 CA PRO A 19 12.382 3.009 -3.105 1.00 0.74 C ATOM 304 C PRO A 19 11.874 4.256 -3.745 1.00 0.70 C ATOM 305 O PRO A 19 11.251 5.066 -3.060 1.00 0.74 O ATOM 306 CB PRO A 19 13.752 3.110 -2.440 1.00 0.86 C ATOM 307 CG PRO A 19 14.348 1.703 -2.276 1.00 0.95 C ATOM 308 CD PRO A 19 13.680 0.989 -3.462 1.00 0.82 C ATOM 0 HA PRO A 19 11.526 2.929 -2.436 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.416 3.730 -3.043 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.661 3.593 -1.467 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.436 1.700 -2.347 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.090 1.250 -1.318 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.383 0.872 -4.287 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.355 -0.011 -3.176 1.00 0.82 H new ATOM 316 N SER A 20 12.153 4.401 -5.052 1.00 0.70 N ATOM 317 CA SER A 20 11.721 5.482 -5.882 1.00 0.74 C ATOM 318 C SER A 20 10.300 5.476 -6.333 1.00 0.71 C ATOM 319 O SER A 20 9.892 6.476 -6.919 1.00 0.80 O ATOM 320 CB SER A 20 12.540 5.667 -7.170 1.00 0.89 C ATOM 321 OG SER A 20 13.939 5.710 -6.932 1.00 1.45 O ATOM 0 H SER A 20 12.716 3.720 -5.561 1.00 0.70 H new ATOM 0 HA SER A 20 11.871 6.295 -5.171 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.318 4.850 -7.857 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.231 6.589 -7.662 1.00 0.89 H new ATOM 0 HG SER A 20 14.412 5.827 -7.782 1.00 1.45 H new ATOM 327 N ASP A 21 9.533 4.490 -5.834 1.00 0.70 N ATOM 328 CA ASP A 21 8.145 4.439 -6.174 1.00 0.73 C ATOM 329 C ASP A 21 7.259 5.278 -5.319 1.00 0.64 C ATOM 330 O ASP A 21 7.471 5.460 -4.121 1.00 0.66 O ATOM 331 CB ASP A 21 7.573 3.018 -6.037 1.00 0.87 C ATOM 332 CG ASP A 21 8.076 2.170 -7.196 1.00 1.05 C ATOM 333 OD1 ASP A 21 7.837 2.657 -8.334 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.355 0.953 -7.032 1.00 1.69 O ATOM 0 H ASP A 21 9.860 3.749 -5.214 1.00 0.70 H new ATOM 0 HA ASP A 21 8.140 4.809 -7.199 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.879 2.578 -5.088 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.483 3.049 -6.037 1.00 0.87 H new ATOM 339 N THR A 22 6.155 5.802 -5.880 1.00 0.63 N ATOM 340 CA THR A 22 5.239 6.531 -5.060 1.00 0.58 C ATOM 341 C THR A 22 4.167 5.695 -4.448 1.00 0.53 C ATOM 342 O THR A 22 3.986 4.509 -4.717 1.00 0.58 O ATOM 343 CB THR A 22 4.595 7.711 -5.724 1.00 0.63 C ATOM 344 OG1 THR A 22 3.882 7.337 -6.894 1.00 0.70 O ATOM 345 CG2 THR A 22 5.701 8.673 -6.190 1.00 0.75 C ATOM 0 H THR A 22 5.902 5.726 -6.865 1.00 0.63 H new ATOM 0 HA THR A 22 5.898 6.899 -4.274 1.00 0.58 H new ATOM 0 HB THR A 22 3.913 8.160 -5.002 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.475 8.132 -7.297 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.250 9.538 -6.676 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.283 9.003 -5.329 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.355 8.161 -6.896 1.00 0.75 H new ATOM 353 N ILE A 23 3.364 6.211 -3.500 1.00 0.51 N ATOM 354 CA ILE A 23 2.271 5.481 -2.935 1.00 0.48 C ATOM 355 C ILE A 23 1.195 5.132 -3.905 1.00 0.48 C ATOM 356 O ILE A 23 0.664 4.024 -3.958 1.00 0.51 O ATOM 357 CB ILE A 23 1.753 6.308 -1.798 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.899 6.576 -0.805 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.473 5.820 -1.099 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.707 5.357 -0.367 1.00 0.73 C ATOM 0 H ILE A 23 3.475 7.151 -3.119 1.00 0.51 H new ATOM 0 HA ILE A 23 2.628 4.508 -2.598 1.00 0.48 H new ATOM 0 HB ILE A 23 1.409 7.237 -2.253 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.582 7.296 -1.255 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.480 7.047 0.084 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.211 6.510 -0.297 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.342 5.777 -1.821 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.642 4.827 -0.682 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.485 5.668 0.331 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.047 4.639 0.121 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.167 4.893 -1.239 1.00 0.73 H new ATOM 372 N GLU A 24 0.855 6.087 -4.789 1.00 0.50 N ATOM 373 CA GLU A 24 0.255 5.855 -6.065 1.00 0.53 C ATOM 374 C GLU A 24 0.662 4.647 -6.836 1.00 0.50 C ATOM 375 O GLU A 24 -0.194 3.874 -7.265 1.00 0.55 O ATOM 376 CB GLU A 24 0.124 7.143 -6.896 1.00 0.64 C ATOM 377 CG GLU A 24 -0.800 6.992 -8.106 1.00 0.95 C ATOM 378 CD GLU A 24 -0.940 8.244 -8.960 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.375 9.343 -8.712 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.749 8.116 -9.917 1.00 1.62 O ATOM 0 H GLU A 24 1.008 7.078 -4.601 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.753 5.542 -5.792 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.253 7.942 -6.258 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.113 7.448 -7.239 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.427 6.182 -8.732 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.789 6.695 -7.756 1.00 0.95 H new ATOM 387 N ASN A 25 1.957 4.435 -7.126 1.00 0.51 N ATOM 388 CA ASN A 25 2.430 3.261 -7.792 1.00 0.52 C ATOM 389 C ASN A 25 2.096 1.966 -7.135 1.00 0.47 C ATOM 390 O ASN A 25 2.043 0.917 -7.775 1.00 0.53 O ATOM 391 CB ASN A 25 3.932 3.187 -8.109 1.00 0.64 C ATOM 392 CG ASN A 25 4.466 4.300 -8.999 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.759 5.061 -9.657 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.825 4.347 -9.046 1.00 1.57 N ATOM 0 H ASN A 25 2.696 5.098 -6.891 1.00 0.51 H new ATOM 0 HA ASN A 25 1.871 3.389 -8.719 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.485 3.198 -7.170 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.138 2.230 -8.589 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.291 5.031 -9.642 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.377 3.699 -8.485 1.00 1.57 H new ATOM 401 N VAL A 26 1.923 1.902 -5.803 1.00 0.45 N ATOM 402 CA VAL A 26 1.508 0.749 -5.066 1.00 0.44 C ATOM 403 C VAL A 26 0.077 0.466 -5.373 1.00 0.40 C ATOM 404 O VAL A 26 -0.280 -0.645 -5.761 1.00 0.44 O ATOM 405 CB VAL A 26 1.898 1.010 -3.642 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.657 -0.325 -2.917 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.351 1.482 -3.466 1.00 0.62 C ATOM 0 H VAL A 26 2.084 2.710 -5.202 1.00 0.45 H new ATOM 0 HA VAL A 26 1.994 -0.188 -5.337 1.00 0.44 H new ATOM 0 HB VAL A 26 1.308 1.831 -3.235 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.919 -0.220 -1.864 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.606 -0.601 -3.003 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.275 -1.101 -3.369 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.554 1.649 -2.408 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.030 0.721 -3.850 1.00 0.62 H new ATOM 0 HG23 VAL A 26 3.501 2.412 -4.015 1.00 0.62 H new ATOM 417 N LYS A 27 -0.786 1.496 -5.433 1.00 0.40 N ATOM 418 CA LYS A 27 -2.135 1.350 -5.886 1.00 0.41 C ATOM 419 C LYS A 27 -2.318 0.772 -7.247 1.00 0.38 C ATOM 420 O LYS A 27 -3.182 -0.069 -7.491 1.00 0.42 O ATOM 421 CB LYS A 27 -2.930 2.661 -5.760 1.00 0.51 C ATOM 422 CG LYS A 27 -2.661 3.380 -4.437 1.00 0.76 C ATOM 423 CD LYS A 27 -3.388 4.726 -4.395 1.00 0.82 C ATOM 424 CE LYS A 27 -2.843 5.721 -3.369 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.567 7.006 -3.489 1.00 1.11 N ATOM 0 H LYS A 27 -0.542 2.449 -5.162 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.537 0.600 -5.204 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.671 3.321 -6.588 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.995 2.446 -5.844 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.990 2.757 -3.605 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.589 3.536 -4.314 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.336 5.181 -5.384 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.442 4.547 -4.181 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.958 5.320 -2.362 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.776 5.877 -3.530 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.150 7.702 -2.838 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.492 7.357 -4.465 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.569 6.864 -3.248 1.00 1.11 H new ATOM 439 N ALA A 28 -1.481 1.126 -8.239 1.00 0.39 N ATOM 440 CA ALA A 28 -1.424 0.606 -9.570 1.00 0.39 C ATOM 441 C ALA A 28 -1.059 -0.834 -9.685 1.00 0.36 C ATOM 442 O ALA A 28 -1.689 -1.556 -10.456 1.00 0.42 O ATOM 443 CB ALA A 28 -0.471 1.449 -10.433 1.00 0.51 C ATOM 0 H ALA A 28 -0.776 1.848 -8.091 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.449 0.674 -9.933 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.438 1.041 -11.443 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.827 2.479 -10.469 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.529 1.426 -10.000 1.00 0.51 H new ATOM 449 N LYS A 29 0.025 -1.265 -9.016 1.00 0.39 N ATOM 450 CA LYS A 29 0.409 -2.634 -8.861 1.00 0.43 C ATOM 451 C LYS A 29 -0.684 -3.491 -8.322 1.00 0.44 C ATOM 452 O LYS A 29 -0.978 -4.566 -8.843 1.00 0.54 O ATOM 453 CB LYS A 29 1.639 -2.812 -7.953 1.00 0.54 C ATOM 454 CG LYS A 29 2.949 -2.327 -8.576 1.00 0.65 C ATOM 455 CD LYS A 29 4.148 -2.629 -7.675 1.00 1.08 C ATOM 456 CE LYS A 29 5.572 -2.340 -8.157 1.00 1.24 C ATOM 457 NZ LYS A 29 6.047 -3.464 -8.993 1.00 1.44 N ATOM 0 H LYS A 29 0.670 -0.621 -8.557 1.00 0.39 H new ATOM 0 HA LYS A 29 0.653 -2.954 -9.874 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.471 -2.273 -7.021 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.739 -3.867 -7.697 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.091 -2.807 -9.544 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.891 -1.254 -8.757 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.003 -2.074 -6.748 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.102 -3.688 -7.422 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.592 -1.413 -8.730 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.235 -2.202 -7.303 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.753 -4.016 -8.465 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.244 -4.076 -9.241 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.479 -3.091 -9.862 1.00 1.44 H new ATOM 471 N ILE A 30 -1.451 -3.117 -7.283 1.00 0.41 N ATOM 472 CA ILE A 30 -2.583 -3.801 -6.739 1.00 0.44 C ATOM 473 C ILE A 30 -3.751 -3.778 -7.663 1.00 0.45 C ATOM 474 O ILE A 30 -4.418 -4.804 -7.793 1.00 0.56 O ATOM 475 CB ILE A 30 -2.851 -3.309 -5.348 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.624 -3.630 -4.478 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.037 -4.115 -4.790 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.889 -3.182 -3.043 1.00 1.32 C ATOM 0 H ILE A 30 -1.258 -2.253 -6.777 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.361 -4.864 -6.644 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.059 -2.239 -5.349 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.416 -4.700 -4.504 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.743 -3.124 -4.872 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.259 -3.781 -3.776 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.911 -3.961 -5.422 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.782 -5.175 -4.775 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.020 -3.409 -2.425 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.076 -2.108 -3.026 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.760 -3.709 -2.652 1.00 1.32 H new ATOM 490 N GLN A 31 -3.940 -2.740 -8.497 1.00 0.41 N ATOM 491 CA GLN A 31 -4.976 -2.775 -9.483 1.00 0.48 C ATOM 492 C GLN A 31 -4.644 -3.734 -10.574 1.00 0.52 C ATOM 493 O GLN A 31 -5.535 -4.496 -10.948 1.00 0.66 O ATOM 494 CB GLN A 31 -5.058 -1.378 -10.120 1.00 0.52 C ATOM 495 CG GLN A 31 -5.860 -1.160 -11.404 1.00 0.70 C ATOM 496 CD GLN A 31 -5.248 -0.197 -12.412 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.750 0.917 -12.539 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.043 -0.462 -12.984 1.00 1.43 N ATOM 0 H GLN A 31 -3.383 -1.886 -8.490 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.908 -3.077 -9.006 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.466 -0.704 -9.367 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.037 -1.054 -10.319 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.000 -2.125 -11.891 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.850 -0.793 -11.134 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.622 -1.385 -12.882 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -3.560 0.263 -13.515 1.00 1.43 H new ATOM 507 N ASP A 32 -3.376 -3.791 -11.015 1.00 0.50 N ATOM 508 CA ASP A 32 -2.867 -4.790 -11.904 1.00 0.60 C ATOM 509 C ASP A 32 -3.014 -6.166 -11.352 1.00 0.65 C ATOM 510 O ASP A 32 -3.667 -7.051 -11.905 1.00 0.81 O ATOM 511 CB ASP A 32 -1.440 -4.332 -12.249 1.00 0.67 C ATOM 512 CG ASP A 32 -0.644 -5.339 -13.067 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.829 -5.390 -14.312 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.185 -6.097 -12.496 1.00 1.55 O ATOM 0 H ASP A 32 -2.671 -3.108 -10.739 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.437 -4.877 -12.829 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.495 -3.394 -12.801 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.902 -4.126 -11.323 1.00 0.67 H new ATOM 519 N LYS A 33 -2.510 -6.459 -10.140 1.00 0.62 N ATOM 520 CA LYS A 33 -2.500 -7.770 -9.569 1.00 0.73 C ATOM 521 C LYS A 33 -3.820 -8.280 -9.103 1.00 0.69 C ATOM 522 O LYS A 33 -4.348 -9.276 -9.595 1.00 0.83 O ATOM 523 CB LYS A 33 -1.448 -7.855 -8.450 1.00 0.85 C ATOM 524 CG LYS A 33 -1.036 -9.264 -8.018 1.00 1.31 C ATOM 525 CD LYS A 33 0.475 -9.397 -7.814 1.00 1.71 C ATOM 526 CE LYS A 33 1.182 -9.660 -9.145 1.00 2.26 C ATOM 527 NZ LYS A 33 2.636 -9.842 -8.937 1.00 2.62 N ATOM 0 H LYS A 33 -2.092 -5.754 -9.533 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.232 -8.435 -10.390 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.555 -7.322 -8.777 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.832 -7.327 -7.577 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.548 -9.520 -7.091 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.362 -9.981 -8.771 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.867 -8.486 -7.363 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.682 -10.211 -7.120 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.763 -10.549 -9.616 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.008 -8.827 -9.826 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.098 -10.019 -9.852 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 3.036 -8.983 -8.508 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.798 -10.652 -8.305 1.00 2.62 H new ATOM 541 N GLU A 34 -4.481 -7.558 -8.182 1.00 0.63 N ATOM 542 CA GLU A 34 -5.695 -7.989 -7.561 1.00 0.67 C ATOM 543 C GLU A 34 -6.962 -7.516 -8.186 1.00 0.69 C ATOM 544 O GLU A 34 -7.992 -8.177 -8.068 1.00 0.95 O ATOM 545 CB GLU A 34 -5.627 -7.529 -6.095 1.00 0.73 C ATOM 546 CG GLU A 34 -4.560 -8.276 -5.291 1.00 0.83 C ATOM 547 CD GLU A 34 -4.980 -9.600 -4.667 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.955 -9.556 -3.872 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.246 -10.598 -4.900 1.00 1.37 O ATOM 0 H GLU A 34 -4.161 -6.645 -7.859 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.745 -9.072 -7.678 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.418 -6.460 -6.063 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.600 -7.678 -5.626 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.709 -8.463 -5.945 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.212 -7.619 -4.494 1.00 0.83 H new ATOM 556 N GLY A 35 -6.948 -6.354 -8.864 1.00 0.63 N ATOM 557 CA GLY A 35 -8.075 -5.788 -9.539 1.00 0.68 C ATOM 558 C GLY A 35 -8.895 -4.792 -8.792 1.00 0.76 C ATOM 559 O GLY A 35 -10.080 -4.567 -9.036 1.00 1.12 O ATOM 0 H GLY A 35 -6.108 -5.781 -8.945 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.716 -5.312 -10.452 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.731 -6.604 -9.842 1.00 0.68 H new ATOM 563 N ILE A 36 -8.317 -4.123 -7.779 1.00 0.70 N ATOM 564 CA ILE A 36 -8.983 -3.239 -6.872 1.00 0.76 C ATOM 565 C ILE A 36 -8.886 -1.908 -7.536 1.00 0.71 C ATOM 566 O ILE A 36 -7.843 -1.702 -8.153 1.00 0.73 O ATOM 567 CB ILE A 36 -8.358 -3.230 -5.510 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.492 -4.596 -4.816 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.965 -2.151 -4.598 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.779 -4.812 -3.482 1.00 1.16 C ATOM 0 H ILE A 36 -7.320 -4.205 -7.581 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.013 -3.545 -6.687 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.304 -3.004 -5.669 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.554 -4.784 -4.658 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.133 -5.356 -5.510 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.480 -2.184 -3.623 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.813 -1.169 -5.046 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.033 -2.334 -4.478 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.973 -5.824 -3.126 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.706 -4.674 -3.616 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.149 -4.093 -2.751 1.00 1.16 H new ATOM 582 N PRO A 37 -9.760 -0.954 -7.652 1.00 0.75 N ATOM 583 CA PRO A 37 -9.478 0.308 -8.275 1.00 0.79 C ATOM 584 C PRO A 37 -8.562 1.140 -7.445 1.00 0.75 C ATOM 585 O PRO A 37 -8.617 1.016 -6.222 1.00 0.75 O ATOM 586 CB PRO A 37 -10.813 1.048 -8.309 1.00 0.95 C ATOM 587 CG PRO A 37 -11.626 0.409 -7.171 1.00 1.02 C ATOM 588 CD PRO A 37 -11.162 -1.052 -7.275 1.00 0.85 C ATOM 0 HA PRO A 37 -9.019 0.143 -9.250 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.680 2.118 -8.151 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -11.311 0.927 -9.271 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.395 0.848 -6.200 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.701 0.514 -7.321 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.284 -1.577 -6.328 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.738 -1.601 -8.020 1.00 0.85 H new ATOM 596 N PRO A 38 -7.710 2.041 -7.835 1.00 0.81 N ATOM 597 CA PRO A 38 -6.800 2.773 -7.002 1.00 0.85 C ATOM 598 C PRO A 38 -7.414 3.825 -6.144 1.00 0.89 C ATOM 599 O PRO A 38 -6.813 4.176 -5.131 1.00 0.99 O ATOM 600 CB PRO A 38 -5.803 3.475 -7.919 1.00 1.01 C ATOM 601 CG PRO A 38 -6.431 3.410 -9.320 1.00 1.25 C ATOM 602 CD PRO A 38 -7.466 2.276 -9.250 1.00 0.98 C ATOM 0 HA PRO A 38 -6.361 2.040 -6.325 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.640 4.507 -7.608 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.832 2.979 -7.899 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.902 4.357 -9.584 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.676 3.207 -10.080 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -8.386 2.556 -9.763 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -7.091 1.375 -9.736 1.00 0.98 H new ATOM 610 N ASP A 39 -8.638 4.253 -6.504 1.00 0.96 N ATOM 611 CA ASP A 39 -9.422 5.213 -5.792 1.00 1.11 C ATOM 612 C ASP A 39 -9.659 4.913 -4.352 1.00 1.00 C ATOM 613 O ASP A 39 -9.686 5.818 -3.519 1.00 1.14 O ATOM 614 CB ASP A 39 -10.775 5.428 -6.491 1.00 1.39 C ATOM 615 CG ASP A 39 -10.536 5.562 -7.988 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.308 6.716 -8.438 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.423 4.498 -8.652 1.00 2.25 O ATOM 0 H ASP A 39 -9.107 3.908 -7.342 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.816 6.119 -5.809 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.442 4.590 -6.289 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.262 6.323 -6.105 1.00 1.39 H new ATOM 622 N GLN A 40 -9.889 3.630 -4.019 1.00 0.87 N ATOM 623 CA GLN A 40 -10.272 3.229 -2.701 1.00 0.84 C ATOM 624 C GLN A 40 -9.022 2.957 -1.939 1.00 0.67 C ATOM 625 O GLN A 40 -9.091 2.960 -0.711 1.00 0.80 O ATOM 626 CB GLN A 40 -11.105 1.942 -2.824 1.00 0.95 C ATOM 627 CG GLN A 40 -12.408 2.113 -3.607 1.00 1.32 C ATOM 628 CD GLN A 40 -13.337 0.909 -3.549 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.557 0.195 -4.527 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.727 0.563 -2.294 1.00 2.02 N ATOM 0 H GLN A 40 -9.807 2.856 -4.678 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.858 3.995 -2.193 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.500 1.176 -3.309 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.340 1.577 -1.824 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.938 2.984 -3.222 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.167 2.321 -4.649 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.526 1.182 -1.509 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.221 -0.316 -2.137 1.00 2.02 H new ATOM 639 N GLN A 41 -7.849 2.736 -2.560 1.00 0.56 N ATOM 640 CA GLN A 41 -6.730 2.222 -1.833 1.00 0.51 C ATOM 641 C GLN A 41 -5.961 3.172 -0.982 1.00 0.49 C ATOM 642 O GLN A 41 -5.106 3.850 -1.547 1.00 0.65 O ATOM 643 CB GLN A 41 -5.780 1.630 -2.888 1.00 0.67 C ATOM 644 CG GLN A 41 -6.403 0.292 -3.295 1.00 0.69 C ATOM 645 CD GLN A 41 -5.461 -0.377 -4.284 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.258 -0.570 -4.116 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.967 -0.663 -5.513 1.00 0.61 N ATOM 0 H GLN A 41 -7.676 2.910 -3.550 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.137 1.513 -1.112 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.683 2.295 -3.746 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.779 1.489 -2.480 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.552 -0.342 -2.421 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.383 0.448 -3.746 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.959 -0.520 -5.702 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -5.355 -1.021 -6.246 1.00 0.61 H new ATOM 656 N ARG A 42 -6.185 3.197 0.345 1.00 0.47 N ATOM 657 CA ARG A 42 -5.371 3.935 1.260 1.00 0.55 C ATOM 658 C ARG A 42 -4.359 3.050 1.903 1.00 0.46 C ATOM 659 O ARG A 42 -4.706 2.025 2.490 1.00 0.52 O ATOM 660 CB ARG A 42 -6.241 4.566 2.360 1.00 0.73 C ATOM 661 CG ARG A 42 -6.963 5.850 1.943 1.00 1.04 C ATOM 662 CD ARG A 42 -7.933 6.440 2.969 1.00 1.28 C ATOM 663 NE ARG A 42 -8.448 7.741 2.458 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.130 8.509 3.359 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.632 8.024 4.532 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.155 9.860 3.173 1.00 2.78 N ATOM 0 H ARG A 42 -6.950 2.692 0.792 1.00 0.47 H new ATOM 0 HA ARG A 42 -4.862 4.716 0.694 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.983 3.835 2.682 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.612 4.783 3.223 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.213 6.604 1.707 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.515 5.651 1.024 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.759 5.751 3.145 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.429 6.584 3.924 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.300 8.040 1.494 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.506 7.041 4.773 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.133 8.645 5.167 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.672 10.274 2.376 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.657 10.456 3.831 1.00 2.78 H new ATOM 680 N LEU A 43 -3.089 3.454 1.728 1.00 0.46 N ATOM 681 CA LEU A 43 -2.008 2.715 2.303 1.00 0.42 C ATOM 682 C LEU A 43 -1.612 3.219 3.648 1.00 0.43 C ATOM 683 O LEU A 43 -1.001 4.261 3.883 1.00 0.55 O ATOM 684 CB LEU A 43 -0.842 2.596 1.308 1.00 0.55 C ATOM 685 CG LEU A 43 -1.212 1.607 0.190 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.027 1.630 -0.791 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.417 0.145 0.620 1.00 1.12 C ATOM 0 H LEU A 43 -2.812 4.280 1.197 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.358 1.701 2.494 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.614 3.573 0.882 1.00 0.55 H new ATOM 0 HB3 LEU A 43 0.056 2.256 1.824 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.172 1.927 -0.214 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.224 0.945 -1.616 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.103 2.640 -1.181 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.881 1.322 -0.272 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.674 -0.458 -0.251 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.498 -0.235 1.066 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.225 0.090 1.350 1.00 1.12 H new ATOM 699 N ILE A 44 -1.997 2.442 4.676 1.00 0.42 N ATOM 700 CA ILE A 44 -1.820 2.664 6.078 1.00 0.46 C ATOM 701 C ILE A 44 -0.536 2.055 6.527 1.00 0.42 C ATOM 702 O ILE A 44 -0.248 0.885 6.281 1.00 0.53 O ATOM 703 CB ILE A 44 -2.922 2.119 6.937 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.311 2.308 6.303 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.828 2.797 8.315 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.898 3.716 6.238 1.00 1.27 C ATOM 0 H ILE A 44 -2.485 1.563 4.503 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.824 3.747 6.202 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.798 1.041 7.041 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.266 1.921 5.285 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -5.014 1.681 6.852 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.620 2.418 8.962 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.858 2.579 8.763 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.939 3.875 8.198 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.879 3.680 5.764 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.997 4.116 7.247 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.238 4.359 5.656 1.00 1.27 H new ATOM 718 N PHE A 45 0.283 2.830 7.260 1.00 0.42 N ATOM 719 CA PHE A 45 1.514 2.375 7.830 1.00 0.46 C ATOM 720 C PHE A 45 1.586 2.964 9.198 1.00 0.68 C ATOM 721 O PHE A 45 1.608 4.177 9.400 1.00 1.50 O ATOM 722 CB PHE A 45 2.598 2.793 6.822 1.00 0.56 C ATOM 723 CG PHE A 45 3.921 2.192 7.152 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.127 0.833 7.206 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.993 3.040 7.291 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.408 0.373 7.400 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.238 2.572 7.641 1.00 1.33 C ATOM 728 CZ PHE A 45 6.470 1.218 7.624 1.00 1.02 C ATOM 0 H PHE A 45 0.081 3.809 7.463 1.00 0.42 H new ATOM 0 HA PHE A 45 1.631 1.302 7.979 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.300 2.487 5.819 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.685 3.879 6.811 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.302 0.144 7.099 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.855 4.098 7.122 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.587 -0.692 7.376 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.022 3.259 7.925 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.464 0.826 7.783 1.00 1.02 H new ATOM 738 N ALA A 46 1.550 2.108 10.235 1.00 0.81 N ATOM 739 CA ALA A 46 1.743 2.517 11.591 1.00 0.96 C ATOM 740 C ALA A 46 0.636 3.363 12.117 1.00 0.97 C ATOM 741 O ALA A 46 0.865 4.175 13.014 1.00 1.21 O ATOM 742 CB ALA A 46 3.164 2.926 12.014 1.00 1.20 C ATOM 0 H ALA A 46 1.383 1.108 10.128 1.00 0.81 H new ATOM 0 HA ALA A 46 1.665 1.578 12.140 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.162 3.212 13.066 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.843 2.086 11.867 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.495 3.770 11.409 1.00 1.20 H new ATOM 748 N GLY A 47 -0.586 3.257 11.566 1.00 0.99 N ATOM 749 CA GLY A 47 -1.639 4.149 11.940 1.00 1.10 C ATOM 750 C GLY A 47 -1.770 5.292 10.993 1.00 1.03 C ATOM 751 O GLY A 47 -2.855 5.868 10.935 1.00 1.30 O ATOM 0 H GLY A 47 -0.844 2.560 10.867 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -2.581 3.601 11.978 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -1.451 4.530 12.944 1.00 1.10 H new ATOM 755 N LYS A 48 -0.741 5.723 10.242 1.00 0.98 N ATOM 756 CA LYS A 48 -0.813 6.817 9.325 1.00 1.05 C ATOM 757 C LYS A 48 -0.822 6.373 7.903 1.00 0.84 C ATOM 758 O LYS A 48 0.048 5.631 7.448 1.00 0.81 O ATOM 759 CB LYS A 48 0.338 7.815 9.536 1.00 1.42 C ATOM 760 CG LYS A 48 0.561 8.875 8.456 1.00 1.61 C ATOM 761 CD LYS A 48 1.845 9.625 8.818 1.00 1.87 C ATOM 762 CE LYS A 48 2.623 10.126 7.600 1.00 2.22 C ATOM 763 NZ LYS A 48 3.648 11.121 7.987 1.00 2.55 N ATOM 0 H LYS A 48 0.182 5.290 10.276 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.761 7.313 9.535 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.168 8.329 10.482 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.261 7.246 9.644 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.650 8.411 7.474 1.00 1.61 H new ATOM 0 HG3 LYS A 48 -0.285 9.561 8.409 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.593 10.474 9.453 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.487 8.968 9.404 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.101 9.284 7.100 1.00 2.22 H new ATOM 0 HE3 LYS A 48 1.933 10.572 6.884 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.158 11.441 7.139 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.187 11.935 8.442 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.320 10.687 8.652 1.00 2.55 H new ATOM 777 N GLN A 49 -1.833 6.923 7.207 1.00 0.84 N ATOM 778 CA GLN A 49 -1.941 6.850 5.783 1.00 0.80 C ATOM 779 C GLN A 49 -1.053 7.820 5.085 1.00 0.72 C ATOM 780 O GLN A 49 -0.826 8.932 5.559 1.00 0.83 O ATOM 781 CB GLN A 49 -3.430 7.052 5.451 1.00 1.03 C ATOM 782 CG GLN A 49 -4.002 8.471 5.423 1.00 1.67 C ATOM 783 CD GLN A 49 -3.731 9.228 6.716 1.00 1.92 C ATOM 784 OE1 GLN A 49 -3.950 8.832 7.860 1.00 2.24 O ATOM 785 NE2 GLN A 49 -3.077 10.410 6.567 1.00 2.48 N ATOM 0 H GLN A 49 -2.598 7.434 7.648 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.597 5.881 5.421 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.612 6.605 4.473 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.009 6.479 6.176 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.569 9.019 4.586 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -5.077 8.424 5.251 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -2.879 10.769 5.633 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -2.785 10.938 7.389 1.00 2.48 H new ATOM 794 N LEU A 50 -0.421 7.341 3.998 1.00 0.69 N ATOM 795 CA LEU A 50 0.670 7.903 3.263 1.00 0.66 C ATOM 796 C LEU A 50 0.128 8.710 2.133 1.00 0.72 C ATOM 797 O LEU A 50 -0.843 8.316 1.489 1.00 0.90 O ATOM 798 CB LEU A 50 1.487 6.747 2.664 1.00 0.65 C ATOM 799 CG LEU A 50 1.976 5.697 3.676 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.802 4.616 2.957 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.719 6.315 4.872 1.00 0.74 C ATOM 0 H LEU A 50 -0.713 6.453 3.589 1.00 0.69 H new ATOM 0 HA LEU A 50 1.283 8.525 3.916 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.879 6.246 1.910 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.353 7.164 2.150 1.00 0.65 H new ATOM 0 HG LEU A 50 1.098 5.219 4.110 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.144 3.877 3.682 1.00 0.77 H new ATOM 0 HD12 LEU A 50 2.184 4.127 2.204 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.664 5.077 2.475 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.039 5.524 5.550 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.592 6.862 4.515 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.054 6.998 5.400 1.00 0.74 H new ATOM 813 N GLU A 51 0.700 9.899 1.870 1.00 0.70 N ATOM 814 CA GLU A 51 0.400 10.731 0.746 1.00 0.76 C ATOM 815 C GLU A 51 0.819 10.207 -0.585 1.00 0.77 C ATOM 816 O GLU A 51 1.923 9.692 -0.754 1.00 1.23 O ATOM 817 CB GLU A 51 0.986 12.133 0.980 1.00 0.88 C ATOM 818 CG GLU A 51 0.489 12.803 2.263 1.00 1.35 C ATOM 819 CD GLU A 51 0.949 14.253 2.311 1.00 1.46 C ATOM 820 OE1 GLU A 51 2.021 14.576 2.888 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.109 15.125 1.963 1.00 1.89 O ATOM 0 H GLU A 51 1.413 10.302 2.478 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.688 10.758 0.690 1.00 0.76 H new ATOM 0 HB2 GLU A 51 2.073 12.061 1.016 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.737 12.768 0.130 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.599 12.757 2.308 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.867 12.265 3.133 1.00 1.35 H new ATOM 828 N ASP A 52 -0.013 10.504 -1.599 1.00 0.66 N ATOM 829 CA ASP A 52 0.106 9.818 -2.848 1.00 0.65 C ATOM 830 C ASP A 52 1.313 10.060 -3.686 1.00 0.60 C ATOM 831 O ASP A 52 1.802 9.141 -4.342 1.00 0.62 O ATOM 832 CB ASP A 52 -1.166 10.092 -3.668 1.00 0.81 C ATOM 833 CG ASP A 52 -2.517 10.203 -2.977 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.815 9.283 -2.169 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.294 11.144 -3.294 1.00 1.44 O ATOM 0 H ASP A 52 -0.754 11.204 -1.558 1.00 0.66 H new ATOM 0 HA ASP A 52 0.233 8.773 -2.565 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.005 11.023 -4.212 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.248 9.299 -4.411 1.00 0.81 H new ATOM 840 N GLY A 53 1.845 11.292 -3.786 1.00 0.68 N ATOM 841 CA GLY A 53 3.065 11.646 -4.442 1.00 0.73 C ATOM 842 C GLY A 53 4.274 11.708 -3.573 1.00 0.72 C ATOM 843 O GLY A 53 5.251 12.320 -4.004 1.00 0.97 O ATOM 0 H GLY A 53 1.384 12.103 -3.375 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.250 10.925 -5.238 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.932 12.618 -4.917 1.00 0.73 H new ATOM 847 N ARG A 54 4.279 11.004 -2.427 1.00 0.64 N ATOM 848 CA ARG A 54 5.488 10.784 -1.694 1.00 0.63 C ATOM 849 C ARG A 54 6.010 9.425 -2.011 1.00 0.59 C ATOM 850 O ARG A 54 5.198 8.544 -2.288 1.00 0.62 O ATOM 851 CB ARG A 54 5.258 10.954 -0.184 1.00 0.69 C ATOM 852 CG ARG A 54 5.237 12.408 0.294 1.00 0.82 C ATOM 853 CD ARG A 54 6.616 13.068 0.357 1.00 1.18 C ATOM 854 NE ARG A 54 6.578 14.468 0.864 1.00 1.50 N ATOM 855 CZ ARG A 54 7.246 15.512 0.292 1.00 2.00 C ATOM 856 NH1 ARG A 54 8.204 15.286 -0.655 1.00 2.48 N ATOM 857 NH2 ARG A 54 7.315 16.740 0.883 1.00 2.49 N ATOM 0 H ARG A 54 3.448 10.587 -2.008 1.00 0.64 H new ATOM 0 HA ARG A 54 6.228 11.528 -1.990 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.311 10.483 0.082 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.042 10.419 0.353 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.599 12.988 -0.372 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.783 12.447 1.284 1.00 0.82 H new ATOM 0 HD2 ARG A 54 7.266 12.474 0.999 1.00 1.18 H new ATOM 0 HD3 ARG A 54 7.060 13.062 -0.639 1.00 1.18 H new ATOM 0 HE ARG A 54 6.016 14.659 1.693 1.00 1.50 H new ATOM 0 HH11 ARG A 54 8.425 14.332 -0.940 1.00 2.48 H new ATOM 0 HH12 ARG A 54 8.699 16.072 -1.078 1.00 2.48 H new ATOM 0 HH21 ARG A 54 6.858 16.900 1.781 1.00 2.49 H new ATOM 0 HH22 ARG A 54 7.823 17.498 0.427 1.00 2.49 H new ATOM 871 N THR A 55 7.350 9.321 -2.074 1.00 0.63 N ATOM 872 CA THR A 55 7.965 8.066 -2.376 1.00 0.61 C ATOM 873 C THR A 55 8.057 7.167 -1.192 1.00 0.59 C ATOM 874 O THR A 55 8.057 7.616 -0.047 1.00 0.64 O ATOM 875 CB THR A 55 9.330 8.025 -2.997 1.00 0.68 C ATOM 876 OG1 THR A 55 10.364 8.561 -2.185 1.00 0.75 O ATOM 877 CG2 THR A 55 9.235 8.825 -4.307 1.00 0.76 C ATOM 0 H THR A 55 7.999 10.093 -1.919 1.00 0.63 H new ATOM 0 HA THR A 55 7.262 7.746 -3.145 1.00 0.61 H new ATOM 0 HB THR A 55 9.605 6.981 -3.148 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.170 9.501 -1.987 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.206 8.828 -4.803 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.495 8.365 -4.961 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.937 9.850 -4.087 1.00 0.76 H new ATOM 885 N LEU A 56 8.276 5.850 -1.361 1.00 0.58 N ATOM 886 CA LEU A 56 8.536 4.871 -0.351 1.00 0.59 C ATOM 887 C LEU A 56 9.809 5.181 0.360 1.00 0.64 C ATOM 888 O LEU A 56 10.021 4.903 1.540 1.00 0.70 O ATOM 889 CB LEU A 56 8.587 3.486 -1.019 1.00 0.60 C ATOM 890 CG LEU A 56 7.214 3.059 -1.565 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.321 1.716 -2.306 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.169 2.748 -0.481 1.00 1.03 C ATOM 0 H LEU A 56 8.270 5.434 -2.292 1.00 0.58 H new ATOM 0 HA LEU A 56 7.742 4.880 0.396 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.312 3.503 -1.833 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.936 2.748 -0.297 1.00 0.60 H new ATOM 0 HG LEU A 56 6.914 3.908 -2.180 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.340 1.430 -2.685 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.017 1.814 -3.139 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.682 0.950 -1.620 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.231 2.455 -0.953 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.528 1.933 0.148 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.006 3.634 0.132 1.00 1.03 H new ATOM 904 N SER A 57 10.698 5.920 -0.325 1.00 0.68 N ATOM 905 CA SER A 57 11.971 6.207 0.261 1.00 0.75 C ATOM 906 C SER A 57 11.897 7.446 1.084 1.00 0.76 C ATOM 907 O SER A 57 12.720 7.685 1.966 1.00 0.84 O ATOM 908 CB SER A 57 12.984 6.470 -0.866 1.00 0.84 C ATOM 909 OG SER A 57 14.239 6.975 -0.436 1.00 1.19 O ATOM 0 H SER A 57 10.545 6.309 -1.255 1.00 0.68 H new ATOM 0 HA SER A 57 12.267 5.362 0.882 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.150 5.540 -1.410 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.546 7.177 -1.570 1.00 0.84 H new ATOM 0 HG SER A 57 14.820 7.111 -1.213 1.00 1.19 H new ATOM 915 N ASP A 58 10.793 8.207 0.980 1.00 0.75 N ATOM 916 CA ASP A 58 10.556 9.334 1.827 1.00 0.78 C ATOM 917 C ASP A 58 10.133 8.863 3.176 1.00 0.77 C ATOM 918 O ASP A 58 10.578 9.330 4.223 1.00 0.86 O ATOM 919 CB ASP A 58 9.492 10.241 1.187 1.00 0.83 C ATOM 920 CG ASP A 58 10.139 10.980 0.024 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.182 11.658 0.223 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.574 10.866 -1.096 1.00 1.90 O ATOM 0 H ASP A 58 10.054 8.037 0.298 1.00 0.75 H new ATOM 0 HA ASP A 58 11.471 9.915 1.944 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.646 9.648 0.838 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.105 10.949 1.920 1.00 0.83 H new ATOM 927 N TYR A 59 9.248 7.850 3.168 1.00 0.72 N ATOM 928 CA TYR A 59 8.837 7.264 4.406 1.00 0.73 C ATOM 929 C TYR A 59 9.760 6.279 5.039 1.00 0.76 C ATOM 930 O TYR A 59 9.422 5.798 6.119 1.00 0.89 O ATOM 931 CB TYR A 59 7.486 6.557 4.206 1.00 0.73 C ATOM 932 CG TYR A 59 6.394 7.522 3.897 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.857 8.372 4.836 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.951 7.602 2.597 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.897 9.306 4.526 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.978 8.522 2.283 1.00 0.70 C ATOM 937 CZ TYR A 59 4.466 9.384 3.223 1.00 0.74 C ATOM 938 OH TYR A 59 3.411 10.252 2.868 1.00 0.86 O ATOM 0 H TYR A 59 8.827 7.446 2.331 1.00 0.72 H new ATOM 0 HA TYR A 59 8.804 8.113 5.089 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.571 5.834 3.395 1.00 0.73 H new ATOM 0 HB3 TYR A 59 7.232 5.998 5.107 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.203 8.303 5.857 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.360 6.954 1.836 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.493 9.960 5.285 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.606 8.568 1.270 1.00 0.70 H new ATOM 0 HH TYR A 59 3.754 11.166 2.781 1.00 0.86 H new ATOM 948 N ASN A 60 10.920 5.992 4.422 1.00 0.74 N ATOM 949 CA ASN A 60 11.881 5.059 4.922 1.00 0.79 C ATOM 950 C ASN A 60 11.426 3.641 5.002 1.00 0.75 C ATOM 951 O ASN A 60 11.629 2.964 6.009 1.00 0.86 O ATOM 952 CB ASN A 60 12.459 5.565 6.255 1.00 0.95 C ATOM 953 CG ASN A 60 12.990 6.988 6.157 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.747 7.304 5.241 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.312 7.989 6.781 1.00 1.83 N ATOM 0 H ASN A 60 11.199 6.426 3.542 1.00 0.74 H new ATOM 0 HA ASN A 60 12.671 5.019 4.173 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.686 5.521 7.022 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.263 4.902 6.574 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.442 8.956 6.484 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.673 7.773 7.546 1.00 1.83 H new ATOM 962 N ILE A 61 10.668 3.137 4.013 1.00 0.67 N ATOM 963 CA ILE A 61 10.199 1.787 3.947 1.00 0.65 C ATOM 964 C ILE A 61 11.311 0.878 3.552 1.00 0.66 C ATOM 965 O ILE A 61 11.955 1.063 2.520 1.00 0.75 O ATOM 966 CB ILE A 61 9.073 1.545 2.987 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.889 2.527 3.029 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.473 0.151 3.238 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.995 2.586 4.267 1.00 0.82 C ATOM 0 H ILE A 61 10.366 3.700 3.218 1.00 0.67 H new ATOM 0 HA ILE A 61 9.822 1.586 4.950 1.00 0.65 H new ATOM 0 HB ILE A 61 9.551 1.670 2.015 1.00 0.63 H new ATOM 0 HG12 ILE A 61 8.291 3.528 2.870 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.249 2.301 2.176 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.655 -0.024 2.540 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.242 -0.608 3.093 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.097 0.095 4.259 1.00 0.72 H new ATOM 0 HD11 ILE A 61 6.215 3.333 4.118 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.537 1.611 4.432 1.00 0.82 H new ATOM 0 HD13 ILE A 61 7.595 2.856 5.136 1.00 0.82 H new ATOM 981 N GLN A 62 11.666 -0.078 4.428 1.00 0.67 N ATOM 982 CA GLN A 62 12.664 -1.082 4.230 1.00 0.70 C ATOM 983 C GLN A 62 12.148 -2.359 3.660 1.00 0.62 C ATOM 984 O GLN A 62 10.960 -2.665 3.560 1.00 0.64 O ATOM 985 CB GLN A 62 13.445 -1.318 5.534 1.00 0.85 C ATOM 986 CG GLN A 62 14.370 -0.166 5.933 1.00 1.27 C ATOM 987 CD GLN A 62 14.831 -0.368 7.369 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.527 -1.334 8.067 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.508 0.621 8.010 1.00 2.16 N ATOM 0 H GLN A 62 11.221 -0.154 5.343 1.00 0.67 H new ATOM 0 HA GLN A 62 13.341 -0.694 3.469 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.735 -1.494 6.342 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.039 -2.226 5.428 1.00 0.85 H new ATOM 0 HG2 GLN A 62 15.230 -0.126 5.265 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.847 0.786 5.837 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.796 1.456 7.499 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.728 0.528 9.002 1.00 2.16 H new ATOM 998 N LYS A 63 13.058 -3.285 3.311 1.00 0.64 N ATOM 999 CA LYS A 63 12.689 -4.552 2.761 1.00 0.62 C ATOM 1000 C LYS A 63 11.983 -5.317 3.826 1.00 0.59 C ATOM 1001 O LYS A 63 12.406 -5.278 4.981 1.00 0.66 O ATOM 1002 CB LYS A 63 13.862 -5.406 2.250 1.00 0.74 C ATOM 1003 CG LYS A 63 14.937 -5.811 3.260 1.00 0.89 C ATOM 1004 CD LYS A 63 16.174 -6.273 2.487 1.00 1.11 C ATOM 1005 CE LYS A 63 17.382 -6.818 3.253 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.281 -8.233 3.673 1.00 2.12 N ATOM 0 H LYS A 63 14.064 -3.153 3.412 1.00 0.64 H new ATOM 0 HA LYS A 63 12.068 -4.345 1.889 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.450 -6.317 1.815 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.349 -4.859 1.443 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.186 -4.970 3.907 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.571 -6.611 3.904 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.853 -7.047 1.790 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.520 -5.429 1.890 1.00 1.11 H new ATOM 0 HE2 LYS A 63 18.268 -6.704 2.629 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.536 -6.203 4.140 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.145 -8.506 4.183 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.458 -8.352 4.298 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.168 -8.837 2.834 1.00 2.12 H new ATOM 1020 N GLU A 64 10.908 -6.059 3.503 1.00 0.57 N ATOM 1021 CA GLU A 64 10.164 -6.888 4.399 1.00 0.58 C ATOM 1022 C GLU A 64 9.104 -6.152 5.142 1.00 0.56 C ATOM 1023 O GLU A 64 8.526 -6.669 6.096 1.00 0.70 O ATOM 1024 CB GLU A 64 11.009 -7.885 5.210 1.00 0.72 C ATOM 1025 CG GLU A 64 10.449 -9.290 5.438 1.00 0.96 C ATOM 1026 CD GLU A 64 11.333 -10.291 6.167 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.546 -9.975 6.301 1.00 1.71 O ATOM 1028 OE2 GLU A 64 10.901 -11.325 6.745 1.00 1.69 O ATOM 0 H GLU A 64 10.535 -6.080 2.554 1.00 0.57 H new ATOM 0 HA GLU A 64 9.594 -7.566 3.763 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.973 -7.988 4.711 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.202 -7.441 6.187 1.00 0.72 H new ATOM 0 HG2 GLU A 64 9.518 -9.194 5.997 1.00 0.96 H new ATOM 0 HG3 GLU A 64 10.195 -9.712 4.466 1.00 0.96 H new ATOM 1035 N SER A 65 8.718 -4.909 4.798 1.00 0.51 N ATOM 1036 CA SER A 65 7.814 -4.147 5.600 1.00 0.51 C ATOM 1037 C SER A 65 6.391 -4.537 5.384 1.00 0.43 C ATOM 1038 O SER A 65 6.069 -4.970 4.278 1.00 0.50 O ATOM 1039 CB SER A 65 7.856 -2.656 5.224 1.00 0.65 C ATOM 1040 OG SER A 65 9.128 -2.083 5.489 1.00 1.04 O ATOM 0 H SER A 65 9.036 -4.429 3.956 1.00 0.51 H new ATOM 0 HA SER A 65 8.131 -4.335 6.626 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.618 -2.541 4.167 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.091 -2.118 5.783 1.00 0.65 H new ATOM 0 HG SER A 65 9.750 -2.321 4.770 1.00 1.04 H new ATOM 1046 N THR A 66 5.527 -4.350 6.398 1.00 0.45 N ATOM 1047 CA THR A 66 4.147 -4.720 6.333 1.00 0.45 C ATOM 1048 C THR A 66 3.304 -3.494 6.255 1.00 0.43 C ATOM 1049 O THR A 66 3.259 -2.618 7.117 1.00 0.58 O ATOM 1050 CB THR A 66 3.629 -5.662 7.380 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.705 -6.500 7.774 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.475 -6.464 6.757 1.00 0.78 C ATOM 0 H THR A 66 5.796 -3.930 7.288 1.00 0.45 H new ATOM 0 HA THR A 66 4.076 -5.317 5.424 1.00 0.45 H new ATOM 0 HB THR A 66 3.252 -5.144 8.262 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.397 -7.127 8.461 1.00 0.79 H new ATOM 0 HG21 THR A 66 2.076 -7.160 7.495 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.687 -5.781 6.439 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.843 -7.021 5.895 1.00 0.78 H new ATOM 1060 N LEU A 67 2.560 -3.232 5.166 1.00 0.38 N ATOM 1061 CA LEU A 67 1.643 -2.137 5.085 1.00 0.38 C ATOM 1062 C LEU A 67 0.298 -2.750 5.275 1.00 0.37 C ATOM 1063 O LEU A 67 0.159 -3.972 5.250 1.00 0.50 O ATOM 1064 CB LEU A 67 1.656 -1.440 3.715 1.00 0.46 C ATOM 1065 CG LEU A 67 2.809 -0.446 3.492 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.203 -1.096 3.459 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.641 0.444 2.249 1.00 1.31 C ATOM 0 H LEU A 67 2.597 -3.797 4.318 1.00 0.38 H new ATOM 0 HA LEU A 67 1.908 -1.381 5.824 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.701 -2.203 2.938 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.712 -0.910 3.587 1.00 0.46 H new ATOM 0 HG LEU A 67 2.748 0.187 4.377 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.959 -0.328 3.298 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.393 -1.598 4.407 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.246 -1.823 2.648 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.495 1.115 2.164 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.582 -0.182 1.359 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.727 1.030 2.342 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.732 -1.943 5.590 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.096 -2.345 5.739 1.00 0.37 C ATOM 1081 C HIS A 68 -2.960 -1.566 4.808 1.00 0.35 C ATOM 1082 O HIS A 68 -2.921 -0.337 4.774 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.521 -2.019 7.181 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.673 -2.789 8.150 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.550 -2.443 8.872 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.897 -4.091 8.473 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.178 -3.514 9.623 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.989 -4.533 9.413 1.00 1.51 N ATOM 0 H HIS A 68 -0.602 -0.944 5.751 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.198 -3.408 5.521 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.420 -0.950 7.366 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.572 -2.270 7.325 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.683 -4.699 8.049 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.665 -3.528 10.298 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.953 -5.453 9.852 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.723 -2.254 3.939 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.625 -1.684 2.987 1.00 0.38 C ATOM 1098 C LEU A 69 -5.976 -1.378 3.535 1.00 0.41 C ATOM 1099 O LEU A 69 -6.633 -2.288 4.037 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.884 -2.634 1.807 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.662 -2.034 0.622 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.035 -0.750 0.055 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.808 -3.055 -0.518 1.00 1.14 C ATOM 0 H LEU A 69 -3.708 -3.273 3.900 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.122 -0.765 2.686 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.924 -2.997 1.440 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.433 -3.500 2.176 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.639 -1.773 1.029 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.639 -0.387 -0.777 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.996 0.011 0.835 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.025 -0.962 -0.296 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.362 -2.604 -1.342 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.820 -3.355 -0.866 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.346 -3.931 -0.155 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.477 -0.130 3.490 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.788 0.192 3.963 1.00 0.56 C ATOM 1117 C VAL A 70 -8.458 0.678 2.724 1.00 0.55 C ATOM 1118 O VAL A 70 -7.796 1.267 1.872 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.806 1.228 5.048 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.215 1.821 5.225 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.432 0.409 6.295 1.00 0.97 C ATOM 0 H VAL A 70 -5.963 0.669 3.119 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.277 -0.660 4.435 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.143 2.069 4.845 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.198 2.569 6.018 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.533 2.288 4.293 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.913 1.027 5.490 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.411 1.063 7.167 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -8.171 -0.378 6.449 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.448 -0.039 6.154 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.726 0.273 2.532 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.492 0.599 1.369 1.00 0.84 C ATOM 1133 C LEU A 71 -11.472 1.662 1.731 1.00 0.85 C ATOM 1134 O LEU A 71 -12.342 1.509 2.586 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.094 -0.707 0.825 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.076 -1.581 0.075 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.809 -2.847 -0.400 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.471 -0.823 -1.117 1.00 2.78 C ATOM 0 H LEU A 71 -10.234 -0.299 3.207 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.899 1.020 0.557 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.512 -1.279 1.654 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.919 -0.467 0.155 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.251 -1.845 0.736 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.113 -3.491 -0.938 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.206 -3.383 0.462 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.628 -2.566 -1.062 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.754 -1.464 -1.630 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.264 -0.540 -1.809 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.965 0.073 -0.759 1.00 2.78 H new