USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -33:sc= 0.734 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.808 K(o=1.5,f=-2.2!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 153:sc= 1.11 (180deg=-0.553) USER MOD Set 2.2: A 12 THR OG1 : rot 141:sc= 1.03 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.091 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 2 GLN : amide:sc= -0.907 K(o=-0.91,f=-0.16) USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc=-0.00353 (180deg=-0.00353) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.873 (180deg=0.292) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 1.19 (180deg=0.519) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.746) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0.825 (180deg=0.736) USER MOD Single : A 31 GLN : amide:sc= -0.304 K(o=-0.3,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= 1.19 (180deg=0.995) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0359) USER MOD Single : A 49 GLN : amide:sc= -0.0763 X(o=-0.076,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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 -13.037 3.376 -3.706 1.00 9.67 N ATOM 2 CA MET A 1 -12.817 4.117 -2.445 1.00 10.38 C ATOM 3 C MET A 1 -11.416 4.584 -2.248 1.00 9.62 C ATOM 4 O MET A 1 -10.479 4.188 -2.939 1.00 9.62 O ATOM 5 CB MET A 1 -13.178 3.238 -1.236 1.00 13.77 C ATOM 6 CG MET A 1 -12.139 2.200 -0.808 1.00 16.29 C ATOM 7 SD MET A 1 -11.861 0.672 -1.754 1.00 17.17 S ATOM 8 CE MET A 1 -10.604 0.067 -0.592 1.00 16.11 C ATOM 0 H1 MET A 1 -13.713 2.603 -3.541 1.00 9.67 H new ATOM 0 H2 MET A 1 -13.418 4.022 -4.426 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.134 2.981 -4.038 1.00 9.67 H new ATOM 0 HA MET A 1 -13.460 4.994 -2.521 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.376 3.892 -0.387 1.00 13.77 H new ATOM 0 HB3 MET A 1 -14.108 2.716 -1.460 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.181 2.717 -0.756 1.00 16.29 H new ATOM 0 HG3 MET A 1 -12.395 1.899 0.208 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.232 -0.901 -0.929 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.778 0.777 -0.547 1.00 16.11 H new ATOM 0 HE3 MET A 1 -11.046 -0.039 0.399 1.00 16.11 H new ATOM 20 N GLN A 2 -11.197 5.532 -1.320 1.00 9.27 N ATOM 21 CA GLN A 2 -10.070 6.389 -1.120 1.00 9.07 C ATOM 22 C GLN A 2 -9.318 5.894 0.067 1.00 8.72 C ATOM 23 O GLN A 2 -9.930 5.660 1.108 1.00 8.22 O ATOM 24 CB GLN A 2 -10.552 7.847 -1.032 1.00 14.46 C ATOM 25 CG GLN A 2 -9.421 8.833 -0.731 1.00 17.01 C ATOM 26 CD GLN A 2 -9.913 10.186 -0.237 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.073 10.573 -0.107 1.00 21.89 O ATOM 28 NE2 GLN A 2 -8.884 11.058 -0.061 1.00 19.49 N ATOM 0 H GLN A 2 -11.911 5.719 -0.616 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.371 6.370 -1.956 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.028 8.124 -1.973 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -11.312 7.926 -0.255 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -8.761 8.399 0.020 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -8.826 8.978 -1.633 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -7.921 10.739 -0.168 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -9.075 12.031 0.178 1.00 19.49 H new ATOM 37 N ILE A 3 -8.017 5.604 -0.113 1.00 5.87 N ATOM 38 CA ILE A 3 -7.065 5.130 0.844 1.00 5.07 C ATOM 39 C ILE A 3 -5.912 6.044 1.077 1.00 4.01 C ATOM 40 O ILE A 3 -5.495 6.865 0.261 1.00 4.61 O ATOM 41 CB ILE A 3 -6.551 3.727 0.719 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.532 3.580 -0.424 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.644 2.645 0.709 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.777 2.253 -0.376 1.00 10.83 C ATOM 0 H ILE A 3 -7.588 5.715 -1.032 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.723 5.117 1.713 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.008 3.537 1.645 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.050 3.664 -1.379 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.817 4.402 -0.376 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.182 1.662 0.615 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.211 2.692 1.638 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.314 2.813 -0.134 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.072 2.205 -1.206 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.234 2.177 0.566 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.485 1.428 -0.454 1.00 10.83 H new ATOM 56 N PHE A 4 -5.184 5.824 2.186 1.00 4.55 N ATOM 57 CA PHE A 4 -4.267 6.789 2.709 1.00 4.68 C ATOM 58 C PHE A 4 -2.954 6.183 3.070 1.00 5.30 C ATOM 59 O PHE A 4 -2.852 5.384 3.999 1.00 5.58 O ATOM 60 CB PHE A 4 -4.681 7.462 4.028 1.00 4.83 C ATOM 61 CG PHE A 4 -5.929 8.269 3.915 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.213 9.131 2.882 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.737 8.340 5.025 1.00 6.69 C ATOM 64 CE1 PHE A 4 -7.228 10.058 2.926 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.782 9.230 5.087 1.00 9.10 C ATOM 66 CZ PHE A 4 -8.029 10.091 4.044 1.00 8.90 C ATOM 0 H PHE A 4 -5.233 4.962 2.729 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.234 7.507 1.890 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.821 6.695 4.790 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.870 8.106 4.369 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.607 9.077 1.989 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.547 7.685 5.863 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -7.392 10.741 2.106 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.414 9.253 5.962 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.849 10.791 4.102 1.00 8.90 H new ATOM 76 N VAL A 5 -1.865 6.614 2.409 1.00 4.44 N ATOM 77 CA VAL A 5 -0.561 6.045 2.558 1.00 3.87 C ATOM 78 C VAL A 5 0.338 7.137 3.027 1.00 4.93 C ATOM 79 O VAL A 5 0.606 8.147 2.378 1.00 6.84 O ATOM 80 CB VAL A 5 -0.029 5.377 1.325 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.453 5.007 1.497 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.911 4.184 0.920 1.00 9.13 C ATOM 0 H VAL A 5 -1.893 7.388 1.745 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.616 5.233 3.283 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.073 6.083 0.496 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.815 4.524 0.589 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.034 5.910 1.684 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.562 4.324 2.340 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.503 3.718 0.023 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.932 3.455 1.730 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.924 4.532 0.719 1.00 9.13 H new ATOM 92 N LYS A 6 0.837 6.980 4.266 1.00 6.04 N ATOM 93 CA LYS A 6 1.759 7.868 4.903 1.00 6.12 C ATOM 94 C LYS A 6 3.146 7.367 4.689 1.00 6.57 C ATOM 95 O LYS A 6 3.422 6.170 4.739 1.00 5.76 O ATOM 96 CB LYS A 6 1.489 8.077 6.403 1.00 7.45 C ATOM 97 CG LYS A 6 0.171 8.807 6.665 1.00 11.12 C ATOM 98 CD LYS A 6 -0.023 9.242 8.119 1.00 14.54 C ATOM 99 CE LYS A 6 -0.381 10.717 8.310 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.500 11.115 7.427 1.00 20.55 N ATOM 0 H LYS A 6 0.582 6.188 4.856 1.00 6.04 H new ATOM 0 HA LYS A 6 1.627 8.847 4.443 1.00 6.12 H new ATOM 0 HB2 LYS A 6 1.470 7.109 6.904 1.00 7.45 H new ATOM 0 HB3 LYS A 6 2.309 8.646 6.841 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.122 9.687 6.024 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.655 8.157 6.378 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.810 8.632 8.563 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.893 9.032 8.671 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.654 10.896 9.350 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.491 11.336 8.098 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.016 11.909 7.857 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.125 11.406 6.502 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.146 10.310 7.301 1.00 20.55 H new ATOM 114 N THR A 7 4.099 8.259 4.365 1.00 7.41 N ATOM 115 CA THR A 7 5.471 7.975 4.078 1.00 7.48 C ATOM 116 C THR A 7 6.293 7.783 5.306 1.00 8.75 C ATOM 117 O THR A 7 5.747 7.764 6.408 1.00 8.58 O ATOM 118 CB THR A 7 6.083 8.897 3.066 1.00 9.61 C ATOM 119 OG1 THR A 7 6.468 10.178 3.541 1.00 11.78 O ATOM 120 CG2 THR A 7 5.081 9.159 1.928 1.00 9.17 C ATOM 0 H THR A 7 3.893 9.256 4.299 1.00 7.41 H new ATOM 0 HA THR A 7 5.470 7.004 3.582 1.00 7.48 H new ATOM 0 HB THR A 7 6.987 8.372 2.756 1.00 9.61 H new ATOM 0 HG1 THR A 7 6.855 10.697 2.805 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.530 9.829 1.195 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.822 8.216 1.447 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.180 9.618 2.335 1.00 9.17 H new ATOM 128 N LEU A 8 7.628 7.725 5.151 1.00 9.84 N ATOM 129 CA LEU A 8 8.511 7.840 6.270 1.00 14.15 C ATOM 130 C LEU A 8 8.602 9.227 6.807 1.00 17.37 C ATOM 131 O LEU A 8 8.284 9.505 7.962 1.00 17.01 O ATOM 132 CB LEU A 8 9.907 7.405 5.795 1.00 16.63 C ATOM 133 CG LEU A 8 10.040 5.921 5.411 1.00 18.88 C ATOM 134 CD1 LEU A 8 11.187 5.604 4.438 1.00 18.59 C ATOM 135 CD2 LEU A 8 10.232 5.111 6.704 1.00 19.31 C ATOM 0 H LEU A 8 8.095 7.599 4.253 1.00 9.84 H new ATOM 0 HA LEU A 8 8.124 7.215 7.075 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.185 8.012 4.933 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.626 7.624 6.585 1.00 16.63 H new ATOM 0 HG LEU A 8 9.128 5.652 4.879 1.00 18.88 H new ATOM 0 HD11 LEU A 8 11.200 4.535 4.227 1.00 18.59 H new ATOM 0 HD12 LEU A 8 11.039 6.155 3.509 1.00 18.59 H new ATOM 0 HD13 LEU A 8 12.136 5.897 4.887 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.329 4.053 6.460 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.133 5.450 7.215 1.00 19.31 H new ATOM 0 HD23 LEU A 8 9.370 5.255 7.355 1.00 19.31 H new ATOM 147 N THR A 9 8.985 10.141 5.898 1.00 18.33 N ATOM 148 CA THR A 9 9.271 11.507 6.212 1.00 19.24 C ATOM 149 C THR A 9 8.133 12.285 6.777 1.00 19.48 C ATOM 150 O THR A 9 8.215 12.727 7.922 1.00 23.14 O ATOM 151 CB THR A 9 9.833 12.252 5.038 1.00 18.97 C ATOM 152 OG1 THR A 9 9.155 12.071 3.804 1.00 20.24 O ATOM 153 CG2 THR A 9 11.209 11.617 4.779 1.00 19.70 C ATOM 0 H THR A 9 9.100 9.921 4.909 1.00 18.33 H new ATOM 0 HA THR A 9 10.018 11.426 7.002 1.00 19.24 H new ATOM 0 HB THR A 9 9.790 13.310 5.298 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.598 12.599 3.107 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.684 12.111 3.931 1.00 19.70 H new ATOM 0 HG22 THR A 9 11.835 11.732 5.664 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.085 10.557 4.558 1.00 19.70 H new ATOM 161 N GLY A 10 7.041 12.454 6.010 1.00 19.43 N ATOM 162 CA GLY A 10 5.953 13.326 6.328 1.00 18.74 C ATOM 163 C GLY A 10 5.097 13.752 5.185 1.00 17.62 C ATOM 164 O GLY A 10 4.629 14.885 5.086 1.00 19.74 O ATOM 0 H GLY A 10 6.911 11.960 5.127 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.320 12.830 7.064 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.357 14.219 6.805 1.00 18.74 H new ATOM 168 N LYS A 11 4.801 12.814 4.267 1.00 13.56 N ATOM 169 CA LYS A 11 3.875 12.962 3.188 1.00 11.91 C ATOM 170 C LYS A 11 2.744 11.997 3.286 1.00 10.18 C ATOM 171 O LYS A 11 2.954 10.941 3.882 1.00 9.10 O ATOM 172 CB LYS A 11 4.577 12.948 1.819 1.00 13.43 C ATOM 173 CG LYS A 11 5.539 14.082 1.460 1.00 16.69 C ATOM 174 CD LYS A 11 6.263 14.126 0.112 1.00 17.92 C ATOM 175 CE LYS A 11 5.236 14.422 -0.982 1.00 20.81 C ATOM 176 NZ LYS A 11 5.986 14.638 -2.239 1.00 21.93 N ATOM 0 H LYS A 11 5.238 11.892 4.281 1.00 13.56 H new ATOM 0 HA LYS A 11 3.426 13.951 3.278 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.131 12.012 1.744 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.802 12.921 1.053 1.00 13.43 H new ATOM 0 HG2 LYS A 11 4.977 15.012 1.547 1.00 16.69 H new ATOM 0 HG3 LYS A 11 6.308 14.100 2.232 1.00 16.69 H new ATOM 0 HD2 LYS A 11 7.037 14.894 0.123 1.00 17.92 H new ATOM 0 HD3 LYS A 11 6.760 13.175 -0.082 1.00 17.92 H new ATOM 0 HE2 LYS A 11 4.537 13.592 -1.089 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.647 15.304 -0.729 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.410 15.205 -2.894 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.872 15.142 -2.032 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.203 13.720 -2.676 1.00 21.93 H new ATOM 190 N THR A 12 1.523 12.452 2.954 1.00 9.63 N ATOM 191 CA THR A 12 0.338 11.655 3.029 1.00 9.85 C ATOM 192 C THR A 12 -0.183 11.538 1.638 1.00 11.66 C ATOM 193 O THR A 12 -0.753 12.492 1.112 1.00 12.33 O ATOM 194 CB THR A 12 -0.739 12.166 3.939 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.166 12.145 5.238 1.00 10.91 O ATOM 196 CG2 THR A 12 -1.914 11.174 3.908 1.00 9.63 C ATOM 0 H THR A 12 1.355 13.402 2.624 1.00 9.63 H new ATOM 0 HA THR A 12 0.617 10.699 3.472 1.00 9.85 H new ATOM 0 HB THR A 12 -1.093 13.157 3.654 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.452 12.940 5.734 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.708 11.530 4.565 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.295 11.093 2.890 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.573 10.196 4.247 1.00 9.63 H new ATOM 204 N ILE A 13 -0.162 10.286 1.147 1.00 10.42 N ATOM 205 CA ILE A 13 -0.450 10.060 -0.236 1.00 11.84 C ATOM 206 C ILE A 13 -1.873 9.645 -0.388 1.00 10.55 C ATOM 207 O ILE A 13 -2.342 8.768 0.336 1.00 11.92 O ATOM 208 CB ILE A 13 0.523 9.167 -0.946 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.014 9.477 -0.735 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.319 9.029 -2.464 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.704 8.115 -0.672 1.00 16.46 C ATOM 0 H ILE A 13 0.049 9.449 1.691 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.311 11.009 -0.754 1.00 11.84 H new ATOM 0 HB ILE A 13 0.274 8.230 -0.448 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.410 10.081 -1.552 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.172 10.041 0.184 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.077 8.361 -2.874 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.671 8.619 -2.662 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.407 10.009 -2.933 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.774 8.256 -0.522 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.295 7.538 0.157 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.536 7.578 -1.606 1.00 16.46 H new ATOM 223 N THR A 14 -2.696 10.295 -1.230 1.00 9.39 N ATOM 224 CA THR A 14 -4.036 9.806 -1.336 1.00 9.63 C ATOM 225 C THR A 14 -4.055 8.924 -2.537 1.00 11.20 C ATOM 226 O THR A 14 -3.595 9.352 -3.595 1.00 11.63 O ATOM 227 CB THR A 14 -5.006 10.935 -1.517 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.320 11.450 -0.231 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.389 10.734 -2.159 1.00 11.66 C ATOM 0 H THR A 14 -2.458 11.105 -1.803 1.00 9.39 H new ATOM 0 HA THR A 14 -4.330 9.273 -0.432 1.00 9.63 H new ATOM 0 HB THR A 14 -4.452 11.545 -2.230 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.953 12.193 -0.322 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.919 11.686 -2.187 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.267 10.357 -3.174 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.962 10.017 -1.571 1.00 11.66 H new ATOM 237 N LEU A 15 -4.674 7.732 -2.476 1.00 8.29 N ATOM 238 CA LEU A 15 -4.857 6.877 -3.608 1.00 9.03 C ATOM 239 C LEU A 15 -6.325 6.622 -3.631 1.00 8.59 C ATOM 240 O LEU A 15 -6.975 6.538 -2.590 1.00 7.79 O ATOM 241 CB LEU A 15 -4.011 5.600 -3.474 1.00 11.08 C ATOM 242 CG LEU A 15 -2.485 5.733 -3.338 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.851 4.539 -2.605 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.856 6.116 -4.688 1.00 15.88 C ATOM 0 H LEU A 15 -5.059 7.351 -1.612 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.523 7.317 -4.548 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.374 5.054 -2.603 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.212 4.978 -4.346 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.253 6.566 -2.674 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.773 4.685 -2.537 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.271 4.463 -1.602 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.059 3.622 -3.156 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.776 6.206 -4.574 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.080 5.345 -5.425 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.266 7.069 -5.023 1.00 15.88 H new ATOM 256 N GLU A 16 -6.815 6.289 -4.838 1.00 11.04 N ATOM 257 CA GLU A 16 -8.128 5.765 -5.053 1.00 11.50 C ATOM 258 C GLU A 16 -7.960 4.409 -5.647 1.00 10.13 C ATOM 259 O GLU A 16 -7.226 4.301 -6.628 1.00 9.83 O ATOM 260 CB GLU A 16 -9.019 6.621 -5.970 1.00 17.22 C ATOM 261 CG GLU A 16 -9.436 7.960 -5.360 1.00 23.33 C ATOM 262 CD GLU A 16 -10.585 8.652 -6.080 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.389 9.300 -7.143 1.00 28.86 O ATOM 264 OE2 GLU A 16 -11.689 8.684 -5.474 1.00 28.90 O ATOM 0 H GLU A 16 -6.276 6.389 -5.698 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.642 5.751 -4.092 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.488 6.808 -6.903 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.915 6.053 -6.222 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.720 7.798 -4.320 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.574 8.627 -5.354 1.00 23.33 H new ATOM 271 N VAL A 17 -8.696 3.430 -5.091 1.00 8.99 N ATOM 272 CA VAL A 17 -8.429 2.035 -5.259 1.00 8.85 C ATOM 273 C VAL A 17 -9.760 1.369 -5.198 1.00 8.04 C ATOM 274 O VAL A 17 -10.774 2.002 -4.910 1.00 8.99 O ATOM 275 CB VAL A 17 -7.482 1.478 -4.238 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.072 2.089 -4.194 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.013 1.567 -2.797 1.00 10.54 C ATOM 0 H VAL A 17 -9.508 3.617 -4.502 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.922 1.858 -6.207 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.408 0.450 -4.592 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.488 1.600 -3.415 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.583 1.946 -5.158 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.144 3.155 -3.978 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.277 1.146 -2.112 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -8.194 2.611 -2.540 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -8.945 1.007 -2.717 1.00 10.54 H new ATOM 287 N GLU A 18 -9.853 0.098 -5.628 1.00 7.29 N ATOM 288 CA GLU A 18 -10.987 -0.771 -5.552 1.00 7.08 C ATOM 289 C GLU A 18 -10.574 -1.921 -4.698 1.00 6.45 C ATOM 290 O GLU A 18 -9.396 -2.273 -4.726 1.00 5.28 O ATOM 291 CB GLU A 18 -11.408 -1.316 -6.927 1.00 10.28 C ATOM 292 CG GLU A 18 -11.631 -0.145 -7.885 1.00 12.65 C ATOM 293 CD GLU A 18 -12.212 -0.581 -9.222 1.00 14.15 C ATOM 294 OE1 GLU A 18 -11.598 -1.353 -10.006 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.318 -0.048 -9.507 1.00 18.17 O ATOM 0 H GLU A 18 -9.058 -0.363 -6.070 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.837 -0.218 -5.152 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.638 -1.981 -7.319 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.321 -1.905 -6.834 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.303 0.576 -7.420 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.683 0.365 -8.055 1.00 12.65 H new ATOM 302 N PRO A 19 -11.445 -2.481 -3.913 1.00 7.24 N ATOM 303 CA PRO A 19 -11.127 -3.381 -2.842 1.00 7.07 C ATOM 304 C PRO A 19 -10.615 -4.716 -3.263 1.00 6.65 C ATOM 305 O PRO A 19 -9.872 -5.358 -2.523 1.00 6.37 O ATOM 306 CB PRO A 19 -12.469 -3.481 -2.121 1.00 7.61 C ATOM 307 CG PRO A 19 -13.550 -3.384 -3.209 1.00 8.16 C ATOM 308 CD PRO A 19 -12.880 -2.309 -4.081 1.00 7.49 C ATOM 0 HA PRO A 19 -10.299 -3.016 -2.234 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.549 -4.422 -1.576 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.579 -2.679 -1.391 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -13.707 -4.324 -3.738 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.519 -3.072 -2.819 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.165 -2.424 -5.127 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.190 -1.310 -3.774 1.00 7.49 H new ATOM 316 N SER A 20 -11.005 -5.052 -4.505 1.00 6.80 N ATOM 317 CA SER A 20 -10.539 -6.214 -5.196 1.00 6.28 C ATOM 318 C SER A 20 -9.178 -6.143 -5.799 1.00 8.45 C ATOM 319 O SER A 20 -8.623 -7.118 -6.303 1.00 7.26 O ATOM 320 CB SER A 20 -11.561 -6.357 -6.336 1.00 8.57 C ATOM 321 OG SER A 20 -11.714 -5.141 -7.054 1.00 11.13 O ATOM 0 H SER A 20 -11.667 -4.496 -5.047 1.00 6.80 H new ATOM 0 HA SER A 20 -10.456 -7.036 -4.486 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.240 -7.145 -7.017 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.524 -6.663 -5.927 1.00 8.57 H new ATOM 0 HG SER A 20 -12.369 -5.266 -7.773 1.00 11.13 H new ATOM 327 N ASP A 21 -8.499 -4.990 -5.656 1.00 7.50 N ATOM 328 CA ASP A 21 -7.170 -4.840 -6.161 1.00 7.70 C ATOM 329 C ASP A 21 -6.141 -5.217 -5.151 1.00 7.08 C ATOM 330 O ASP A 21 -6.341 -5.105 -3.942 1.00 8.11 O ATOM 331 CB ASP A 21 -6.954 -3.382 -6.600 1.00 11.00 C ATOM 332 CG ASP A 21 -7.895 -3.041 -7.747 1.00 15.32 C ATOM 333 OD1 ASP A 21 -8.144 -3.987 -8.540 1.00 18.03 O ATOM 334 OD2 ASP A 21 -8.347 -1.876 -7.908 1.00 14.36 O ATOM 0 H ASP A 21 -8.871 -4.162 -5.191 1.00 7.50 H new ATOM 0 HA ASP A 21 -7.057 -5.513 -7.011 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.132 -2.710 -5.760 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.920 -3.236 -6.911 1.00 11.00 H new ATOM 339 N THR A 22 -4.959 -5.669 -5.606 1.00 5.37 N ATOM 340 CA THR A 22 -3.880 -6.111 -4.778 1.00 6.01 C ATOM 341 C THR A 22 -2.986 -5.064 -4.209 1.00 8.01 C ATOM 342 O THR A 22 -3.119 -3.883 -4.526 1.00 8.11 O ATOM 343 CB THR A 22 -3.117 -7.229 -5.425 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.337 -6.842 -6.546 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.920 -8.450 -5.905 1.00 9.65 C ATOM 0 H THR A 22 -4.745 -5.729 -6.602 1.00 5.37 H new ATOM 0 HA THR A 22 -4.382 -6.489 -3.887 1.00 6.01 H new ATOM 0 HB THR A 22 -2.504 -7.515 -4.570 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.788 -6.114 -7.022 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.243 -9.178 -6.351 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.433 -8.904 -5.057 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.654 -8.134 -6.647 1.00 9.65 H new ATOM 353 N ILE A 23 -2.024 -5.429 -3.342 1.00 8.32 N ATOM 354 CA ILE A 23 -1.012 -4.620 -2.737 1.00 9.92 C ATOM 355 C ILE A 23 -0.112 -4.275 -3.873 1.00 10.01 C ATOM 356 O ILE A 23 0.396 -3.156 -3.840 1.00 8.71 O ATOM 357 CB ILE A 23 -0.274 -5.475 -1.750 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.264 -6.237 -0.853 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.595 -4.511 -0.923 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.483 -5.516 -0.279 1.00 12.30 C ATOM 0 H ILE A 23 -1.951 -6.398 -3.033 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.391 -3.737 -2.222 1.00 9.92 H new ATOM 0 HB ILE A 23 0.339 -6.227 -2.246 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -1.631 -7.089 -1.425 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -0.698 -6.637 -0.012 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.161 -5.076 -0.182 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.285 -3.986 -1.583 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.044 -3.788 -0.417 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -3.065 -6.211 0.327 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.154 -4.682 0.341 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.101 -5.141 -1.095 1.00 12.30 H new ATOM 372 N GLU A 24 0.124 -5.078 -4.927 1.00 9.54 N ATOM 373 CA GLU A 24 0.910 -4.630 -6.034 1.00 11.81 C ATOM 374 C GLU A 24 0.490 -3.411 -6.780 1.00 11.14 C ATOM 375 O GLU A 24 1.291 -2.589 -7.221 1.00 10.62 O ATOM 376 CB GLU A 24 1.234 -5.761 -7.025 1.00 19.24 C ATOM 377 CG GLU A 24 2.148 -5.393 -8.195 1.00 27.76 C ATOM 378 CD GLU A 24 2.315 -6.513 -9.211 1.00 32.92 C ATOM 379 OE1 GLU A 24 2.811 -7.635 -8.921 1.00 36.51 O ATOM 380 OE2 GLU A 24 1.899 -6.294 -10.380 1.00 34.80 O ATOM 0 H GLU A 24 -0.227 -6.032 -5.012 1.00 9.54 H new ATOM 0 HA GLU A 24 1.802 -4.299 -5.502 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.697 -6.578 -6.472 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.296 -6.141 -7.430 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.745 -4.514 -8.698 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.128 -5.116 -7.807 1.00 27.76 H new ATOM 387 N ASN A 25 -0.843 -3.229 -6.802 1.00 9.43 N ATOM 388 CA ASN A 25 -1.559 -2.160 -7.426 1.00 10.96 C ATOM 389 C ASN A 25 -1.442 -0.936 -6.584 1.00 9.68 C ATOM 390 O ASN A 25 -1.424 0.182 -7.096 1.00 9.33 O ATOM 391 CB ASN A 25 -3.052 -2.427 -7.680 1.00 16.78 C ATOM 392 CG ASN A 25 -3.138 -3.634 -8.603 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.517 -4.682 -8.083 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.989 -3.520 -9.950 1.00 24.70 N ATOM 0 H ASN A 25 -1.472 -3.888 -6.343 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.099 -2.043 -8.407 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.574 -2.620 -6.743 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.527 -1.558 -8.136 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -3.193 -4.316 -10.555 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.673 -2.639 -10.355 1.00 24.70 H new ATOM 401 N VAL A 26 -1.317 -1.061 -5.251 1.00 6.52 N ATOM 402 CA VAL A 26 -1.141 0.045 -4.362 1.00 5.53 C ATOM 403 C VAL A 26 0.270 0.509 -4.466 1.00 4.42 C ATOM 404 O VAL A 26 0.424 1.724 -4.578 1.00 3.40 O ATOM 405 CB VAL A 26 -1.451 -0.364 -2.952 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.278 0.851 -2.025 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.970 -0.589 -2.877 1.00 8.12 C ATOM 0 H VAL A 26 -1.339 -1.963 -4.776 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.820 0.853 -4.635 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.828 -1.217 -2.684 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.502 0.560 -0.999 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.251 1.211 -2.084 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.959 1.644 -2.334 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.244 -0.889 -1.866 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.488 0.335 -3.134 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.257 -1.373 -3.578 1.00 8.12 H new ATOM 417 N LYS A 27 1.243 -0.411 -4.598 1.00 2.64 N ATOM 418 CA LYS A 27 2.628 -0.119 -4.799 1.00 4.14 C ATOM 419 C LYS A 27 2.830 0.645 -6.062 1.00 5.58 C ATOM 420 O LYS A 27 3.320 1.773 -6.070 1.00 4.11 O ATOM 421 CB LYS A 27 3.536 -1.359 -4.751 1.00 3.97 C ATOM 422 CG LYS A 27 3.365 -2.058 -3.401 1.00 7.45 C ATOM 423 CD LYS A 27 3.919 -3.483 -3.337 1.00 9.02 C ATOM 424 CE LYS A 27 5.445 -3.583 -3.376 1.00 12.90 C ATOM 425 NZ LYS A 27 5.838 -4.975 -3.692 1.00 15.47 N ATOM 0 H LYS A 27 1.052 -1.412 -4.562 1.00 2.64 H new ATOM 0 HA LYS A 27 2.931 0.502 -3.956 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.282 -2.042 -5.562 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.577 -1.068 -4.894 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.855 -1.459 -2.634 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.304 -2.085 -3.155 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.562 -3.955 -2.422 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.511 -4.054 -4.171 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.846 -2.901 -4.126 1.00 12.90 H new ATOM 0 HE3 LYS A 27 5.865 -3.284 -2.416 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 6.804 -5.149 -3.349 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.182 -5.635 -3.228 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.805 -5.120 -4.721 1.00 15.47 H new ATOM 439 N ALA A 28 2.379 0.054 -7.183 1.00 6.61 N ATOM 440 CA ALA A 28 2.247 0.601 -8.498 1.00 7.74 C ATOM 441 C ALA A 28 1.616 1.949 -8.561 1.00 9.17 C ATOM 442 O ALA A 28 2.161 2.832 -9.222 1.00 11.45 O ATOM 443 CB ALA A 28 1.573 -0.499 -9.335 1.00 7.68 C ATOM 0 H ALA A 28 2.073 -0.919 -7.161 1.00 6.61 H new ATOM 0 HA ALA A 28 3.222 0.845 -8.920 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.440 -0.148 -10.358 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.200 -1.391 -9.336 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.601 -0.739 -8.905 1.00 7.68 H new ATOM 449 N LYS A 29 0.476 2.218 -7.899 1.00 8.96 N ATOM 450 CA LYS A 29 -0.213 3.471 -7.908 1.00 7.90 C ATOM 451 C LYS A 29 0.431 4.531 -7.082 1.00 6.92 C ATOM 452 O LYS A 29 0.326 5.697 -7.457 1.00 6.87 O ATOM 453 CB LYS A 29 -1.623 3.219 -7.347 1.00 10.28 C ATOM 454 CG LYS A 29 -2.574 2.865 -8.492 1.00 14.94 C ATOM 455 CD LYS A 29 -4.042 2.617 -8.139 1.00 19.69 C ATOM 456 CE LYS A 29 -4.990 3.024 -9.269 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.330 2.577 -8.829 1.00 24.98 N ATOM 0 H LYS A 29 0.008 1.518 -7.323 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.210 3.836 -8.935 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.596 2.408 -6.619 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.981 4.106 -6.824 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.536 3.672 -9.223 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.190 1.971 -8.984 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.185 1.561 -7.911 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.295 3.174 -7.237 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.968 4.101 -9.433 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -4.707 2.553 -10.210 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -6.994 2.634 -9.627 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.275 1.594 -8.494 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -6.663 3.188 -8.056 1.00 24.98 H new ATOM 471 N ILE A 30 1.128 4.168 -5.991 1.00 4.57 N ATOM 472 CA ILE A 30 2.077 5.061 -5.402 1.00 5.58 C ATOM 473 C ILE A 30 3.129 5.538 -6.343 1.00 7.26 C ATOM 474 O ILE A 30 3.262 6.744 -6.547 1.00 9.46 O ATOM 475 CB ILE A 30 2.715 4.514 -4.160 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.664 4.378 -3.046 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.850 5.393 -3.606 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.137 3.311 -2.060 1.00 2.00 C ATOM 0 H ILE A 30 1.037 3.267 -5.521 1.00 4.57 H new ATOM 0 HA ILE A 30 1.473 5.925 -5.124 1.00 5.58 H new ATOM 0 HB ILE A 30 3.137 3.552 -4.451 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.528 5.331 -2.536 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.698 4.102 -3.468 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.262 4.932 -2.708 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.634 5.490 -4.357 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.459 6.380 -3.360 1.00 2.78 H new ATOM 0 HD11 ILE A 30 1.402 3.202 -1.262 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.252 2.360 -2.580 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.095 3.609 -1.633 1.00 2.00 H new ATOM 490 N GLN A 31 3.848 4.580 -6.953 1.00 7.06 N ATOM 491 CA GLN A 31 4.903 4.738 -7.906 1.00 8.67 C ATOM 492 C GLN A 31 4.562 5.734 -8.960 1.00 10.90 C ATOM 493 O GLN A 31 5.322 6.651 -9.270 1.00 9.63 O ATOM 494 CB GLN A 31 5.389 3.377 -8.431 1.00 9.12 C ATOM 495 CG GLN A 31 6.281 3.448 -9.672 1.00 10.76 C ATOM 496 CD GLN A 31 6.625 2.029 -10.103 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.676 1.247 -10.111 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.932 1.757 -10.364 1.00 14.76 N ATOM 0 H GLN A 31 3.671 3.595 -6.757 1.00 7.06 H new ATOM 0 HA GLN A 31 5.765 5.171 -7.399 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.937 2.872 -7.636 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.520 2.761 -8.661 1.00 9.12 H new ATOM 0 HG2 GLN A 31 5.768 3.974 -10.477 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.190 4.008 -9.453 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.626 2.503 -10.323 1.00 14.76 H new ATOM 0 HE22 GLN A 31 8.218 0.807 -10.601 1.00 14.76 H new ATOM 507 N ASP A 32 3.334 5.635 -9.499 1.00 10.93 N ATOM 508 CA ASP A 32 2.811 6.600 -10.416 1.00 14.01 C ATOM 509 C ASP A 32 2.695 8.016 -9.967 1.00 14.04 C ATOM 510 O ASP A 32 2.952 8.917 -10.763 1.00 13.39 O ATOM 511 CB ASP A 32 1.471 6.039 -10.921 1.00 18.01 C ATOM 512 CG ASP A 32 1.045 6.372 -12.344 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.854 6.034 -13.249 1.00 25.17 O ATOM 514 OD2 ASP A 32 -0.082 6.911 -12.507 1.00 26.29 O ATOM 0 H ASP A 32 2.691 4.870 -9.294 1.00 10.93 H new ATOM 0 HA ASP A 32 3.558 6.714 -11.202 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.508 4.953 -10.830 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.688 6.389 -10.248 1.00 18.01 H new ATOM 519 N LYS A 33 2.380 8.225 -8.676 1.00 14.22 N ATOM 520 CA LYS A 33 2.503 9.504 -8.048 1.00 14.00 C ATOM 521 C LYS A 33 3.892 9.971 -7.780 1.00 12.37 C ATOM 522 O LYS A 33 4.350 10.910 -8.427 1.00 12.17 O ATOM 523 CB LYS A 33 1.593 9.634 -6.815 1.00 18.62 C ATOM 524 CG LYS A 33 0.128 9.337 -7.144 1.00 24.00 C ATOM 525 CD LYS A 33 -0.845 9.684 -6.016 1.00 27.61 C ATOM 526 CE LYS A 33 -2.073 10.483 -6.457 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.904 11.078 -5.387 1.00 30.06 N ATOM 0 H LYS A 33 2.033 7.492 -8.057 1.00 14.22 H new ATOM 0 HA LYS A 33 2.146 10.199 -8.808 1.00 14.00 H new ATOM 0 HB2 LYS A 33 1.935 8.949 -6.039 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.675 10.642 -6.409 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.153 9.895 -8.037 1.00 24.00 H new ATOM 0 HG3 LYS A 33 0.027 8.279 -7.384 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.179 8.760 -5.545 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -0.311 10.254 -5.256 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.737 11.287 -7.112 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.707 9.828 -7.055 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -3.856 11.274 -5.756 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.972 10.413 -4.590 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.469 11.965 -5.062 1.00 30.06 H new ATOM 541 N GLU A 34 4.598 9.387 -6.795 1.00 10.11 N ATOM 542 CA GLU A 34 5.908 9.741 -6.344 1.00 10.07 C ATOM 543 C GLU A 34 7.105 9.141 -6.997 1.00 9.32 C ATOM 544 O GLU A 34 8.162 9.771 -7.018 1.00 11.61 O ATOM 545 CB GLU A 34 6.000 9.442 -4.838 1.00 14.77 C ATOM 546 CG GLU A 34 4.935 10.121 -3.974 1.00 18.75 C ATOM 547 CD GLU A 34 5.142 11.615 -3.774 1.00 22.28 C ATOM 548 OE1 GLU A 34 5.921 11.951 -2.842 1.00 25.19 O ATOM 549 OE2 GLU A 34 4.645 12.485 -4.538 1.00 21.95 O ATOM 0 H GLU A 34 4.218 8.599 -6.270 1.00 10.11 H new ATOM 0 HA GLU A 34 5.974 10.792 -6.624 1.00 10.07 H new ATOM 0 HB2 GLU A 34 5.930 8.364 -4.693 1.00 14.77 H new ATOM 0 HB3 GLU A 34 6.984 9.748 -4.482 1.00 14.77 H new ATOM 0 HG2 GLU A 34 3.958 9.960 -4.431 1.00 18.75 H new ATOM 0 HG3 GLU A 34 4.914 9.636 -2.998 1.00 18.75 H new ATOM 556 N GLY A 35 7.001 7.902 -7.509 1.00 7.22 N ATOM 557 CA GLY A 35 8.171 7.249 -8.009 1.00 6.29 C ATOM 558 C GLY A 35 9.094 6.720 -6.966 1.00 6.93 C ATOM 559 O GLY A 35 10.158 7.254 -6.656 1.00 7.41 O ATOM 0 H GLY A 35 6.136 7.366 -7.577 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.862 6.424 -8.651 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.720 7.951 -8.636 1.00 6.29 H new ATOM 563 N ILE A 36 8.677 5.617 -6.319 1.00 5.86 N ATOM 564 CA ILE A 36 9.462 4.971 -5.314 1.00 6.07 C ATOM 565 C ILE A 36 9.592 3.555 -5.759 1.00 6.36 C ATOM 566 O ILE A 36 8.501 3.034 -5.987 1.00 6.18 O ATOM 567 CB ILE A 36 8.709 5.070 -4.020 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.442 6.482 -3.472 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.405 4.361 -2.847 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.449 6.459 -2.311 1.00 9.49 C ATOM 0 H ILE A 36 7.779 5.166 -6.497 1.00 5.86 H new ATOM 0 HA ILE A 36 10.448 5.413 -5.172 1.00 6.07 H new ATOM 0 HB ILE A 36 7.774 4.602 -4.328 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.380 6.927 -3.140 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.054 7.115 -4.270 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.804 4.474 -1.945 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.518 3.302 -3.077 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.388 4.804 -2.686 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.286 7.475 -1.951 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.502 6.038 -2.650 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.849 5.847 -1.502 1.00 9.49 H new ATOM 582 N PRO A 37 10.682 2.859 -5.893 1.00 8.65 N ATOM 583 CA PRO A 37 10.709 1.605 -6.588 1.00 9.18 C ATOM 584 C PRO A 37 9.897 0.523 -5.965 1.00 9.85 C ATOM 585 O PRO A 37 9.724 0.524 -4.747 1.00 8.51 O ATOM 586 CB PRO A 37 12.197 1.308 -6.763 1.00 11.42 C ATOM 587 CG PRO A 37 12.823 2.691 -7.002 1.00 9.27 C ATOM 588 CD PRO A 37 11.932 3.571 -6.111 1.00 8.33 C ATOM 0 HA PRO A 37 10.207 1.662 -7.554 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.615 0.827 -5.879 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.375 0.638 -7.604 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.870 2.727 -6.703 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.781 2.988 -8.050 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.426 3.777 -5.161 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.746 4.533 -6.588 1.00 8.33 H new ATOM 596 N PRO A 38 9.299 -0.386 -6.676 1.00 8.71 N ATOM 597 CA PRO A 38 8.564 -1.387 -5.958 1.00 9.08 C ATOM 598 C PRO A 38 9.295 -2.397 -5.142 1.00 9.28 C ATOM 599 O PRO A 38 8.637 -3.017 -4.308 1.00 6.50 O ATOM 600 CB PRO A 38 7.713 -2.068 -7.027 1.00 10.31 C ATOM 601 CG PRO A 38 8.671 -2.058 -8.228 1.00 10.81 C ATOM 602 CD PRO A 38 9.375 -0.699 -8.095 1.00 12.00 C ATOM 0 HA PRO A 38 8.023 -0.870 -5.165 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.425 -3.079 -6.740 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.793 -1.520 -7.231 1.00 10.31 H new ATOM 0 HG2 PRO A 38 9.379 -2.886 -8.187 1.00 10.81 H new ATOM 0 HG3 PRO A 38 8.135 -2.144 -9.173 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.409 -0.753 -8.435 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.881 0.064 -8.697 1.00 12.00 H new ATOM 610 N ASP A 39 10.588 -2.592 -5.457 1.00 11.20 N ATOM 611 CA ASP A 39 11.474 -3.412 -4.690 1.00 14.96 C ATOM 612 C ASP A 39 12.026 -2.715 -3.495 1.00 13.99 C ATOM 613 O ASP A 39 12.236 -3.205 -2.387 1.00 13.75 O ATOM 614 CB ASP A 39 12.638 -3.818 -5.610 1.00 24.16 C ATOM 615 CG ASP A 39 13.395 -2.658 -6.239 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.725 -1.754 -6.806 1.00 35.55 O ATOM 617 OD2 ASP A 39 14.654 -2.698 -6.208 1.00 34.22 O ATOM 0 H ASP A 39 11.031 -2.166 -6.271 1.00 11.20 H new ATOM 0 HA ASP A 39 10.913 -4.271 -4.323 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.341 -4.422 -5.037 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.248 -4.452 -6.406 1.00 24.16 H new ATOM 622 N GLN A 40 12.173 -1.383 -3.609 1.00 11.60 N ATOM 623 CA GLN A 40 12.598 -0.553 -2.525 1.00 10.76 C ATOM 624 C GLN A 40 11.556 -0.388 -1.474 1.00 8.01 C ATOM 625 O GLN A 40 11.794 -0.481 -0.271 1.00 8.96 O ATOM 626 CB GLN A 40 13.077 0.774 -3.137 1.00 11.14 C ATOM 627 CG GLN A 40 14.019 1.676 -2.336 1.00 14.85 C ATOM 628 CD GLN A 40 14.192 3.087 -2.880 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.594 4.030 -2.364 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.941 3.306 -3.994 1.00 18.16 N ATOM 0 H GLN A 40 11.993 -0.872 -4.473 1.00 11.60 H new ATOM 0 HA GLN A 40 13.419 -1.024 -1.985 1.00 10.76 H new ATOM 0 HB2 GLN A 40 13.572 0.539 -4.079 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.191 1.361 -3.380 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.648 1.742 -1.313 1.00 14.85 H new ATOM 0 HG3 GLN A 40 14.998 1.200 -2.290 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.442 2.533 -4.432 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.002 4.243 -4.392 1.00 18.16 H new ATOM 639 N GLN A 41 10.289 -0.080 -1.804 1.00 6.52 N ATOM 640 CA GLN A 41 9.250 0.094 -0.836 1.00 3.87 C ATOM 641 C GLN A 41 8.742 -1.136 -0.167 1.00 4.79 C ATOM 642 O GLN A 41 8.938 -2.268 -0.607 1.00 6.34 O ATOM 643 CB GLN A 41 8.064 0.931 -1.344 1.00 4.20 C ATOM 644 CG GLN A 41 7.285 0.254 -2.474 1.00 3.20 C ATOM 645 CD GLN A 41 6.065 1.118 -2.758 1.00 4.89 C ATOM 646 OE1 GLN A 41 5.034 1.115 -2.088 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.097 1.763 -3.956 1.00 7.13 N ATOM 0 H GLN A 41 9.979 0.051 -2.767 1.00 6.52 H new ATOM 0 HA GLN A 41 9.783 0.651 -0.066 1.00 3.87 H new ATOM 0 HB2 GLN A 41 7.387 1.130 -0.514 1.00 4.20 H new ATOM 0 HB3 GLN A 41 8.432 1.896 -1.693 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.905 0.158 -3.365 1.00 3.20 H new ATOM 0 HG3 GLN A 41 6.985 -0.753 -2.185 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.953 1.765 -4.511 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.265 2.244 -4.298 1.00 7.13 H new ATOM 656 N ARG A 42 8.069 -0.943 0.981 1.00 5.73 N ATOM 657 CA ARG A 42 7.328 -1.917 1.722 1.00 6.97 C ATOM 658 C ARG A 42 6.150 -1.317 2.410 1.00 7.15 C ATOM 659 O ARG A 42 6.301 -0.247 2.999 1.00 7.33 O ATOM 660 CB ARG A 42 8.294 -2.650 2.668 1.00 13.23 C ATOM 661 CG ARG A 42 7.710 -3.537 3.770 1.00 21.27 C ATOM 662 CD ARG A 42 8.679 -4.154 4.780 1.00 26.14 C ATOM 663 NE ARG A 42 9.454 -5.218 4.082 1.00 32.26 N ATOM 664 CZ ARG A 42 10.299 -6.043 4.766 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.635 -5.716 6.048 1.00 35.30 N ATOM 666 NH2 ARG A 42 10.667 -7.264 4.280 1.00 36.39 N ATOM 0 H ARG A 42 8.042 -0.027 1.428 1.00 5.73 H new ATOM 0 HA ARG A 42 6.897 -2.653 1.044 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.949 -3.271 2.056 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.922 -1.899 3.146 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.981 -2.946 4.324 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.164 -4.350 3.291 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.350 -3.393 5.179 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.133 -4.572 5.626 1.00 26.14 H new ATOM 0 HE ARG A 42 9.351 -5.332 3.074 1.00 32.26 H new ATOM 0 HH11 ARG A 42 10.256 -4.871 6.475 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.265 -6.317 6.579 1.00 35.30 H new ATOM 0 HH21 ARG A 42 10.308 -7.584 3.380 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.301 -7.857 4.816 1.00 36.39 H new ATOM 680 N LEU A 43 4.966 -1.955 2.397 1.00 4.65 N ATOM 681 CA LEU A 43 3.807 -1.441 3.060 1.00 3.51 C ATOM 682 C LEU A 43 3.453 -2.148 4.323 1.00 5.56 C ATOM 683 O LEU A 43 3.393 -3.375 4.263 1.00 4.19 O ATOM 684 CB LEU A 43 2.642 -1.545 2.062 1.00 3.74 C ATOM 685 CG LEU A 43 2.829 -0.593 0.868 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.845 -1.093 -0.204 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.511 0.877 1.189 1.00 9.55 C ATOM 0 H LEU A 43 4.810 -2.842 1.918 1.00 4.65 H new ATOM 0 HA LEU A 43 4.018 -0.415 3.362 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.563 -2.570 1.701 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.706 -1.312 2.570 1.00 3.74 H new ATOM 0 HG LEU A 43 3.874 -0.606 0.557 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.920 -0.462 -1.089 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.088 -2.122 -0.470 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.828 -1.050 0.187 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.666 1.486 0.298 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.473 0.963 1.511 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.168 1.226 1.986 1.00 9.55 H new ATOM 699 N ILE A 44 3.371 -1.468 5.480 1.00 4.58 N ATOM 700 CA ILE A 44 2.843 -1.830 6.759 1.00 5.55 C ATOM 701 C ILE A 44 1.423 -1.398 6.893 1.00 5.46 C ATOM 702 O ILE A 44 1.022 -0.311 6.480 1.00 6.04 O ATOM 703 CB ILE A 44 3.619 -1.320 7.937 1.00 6.80 C ATOM 704 CG1 ILE A 44 5.103 -1.307 7.533 1.00 10.31 C ATOM 705 CG2 ILE A 44 3.296 -2.102 9.221 1.00 7.39 C ATOM 706 CD1 ILE A 44 5.750 -2.658 7.228 1.00 13.90 C ATOM 0 H ILE A 44 3.734 -0.516 5.516 1.00 4.58 H new ATOM 0 HA ILE A 44 2.925 -2.917 6.782 1.00 5.55 H new ATOM 0 HB ILE A 44 3.331 -0.301 8.195 1.00 6.80 H new ATOM 0 HG12 ILE A 44 5.209 -0.674 6.652 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.669 -0.834 8.336 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.880 -1.699 10.049 1.00 7.39 H new ATOM 0 HG22 ILE A 44 2.234 -2.008 9.447 1.00 7.39 H new ATOM 0 HG23 ILE A 44 3.545 -3.154 9.079 1.00 7.39 H new ATOM 0 HD11 ILE A 44 6.795 -2.508 6.957 1.00 13.90 H new ATOM 0 HD12 ILE A 44 5.692 -3.297 8.109 1.00 13.90 H new ATOM 0 HD13 ILE A 44 5.225 -3.134 6.400 1.00 13.90 H new ATOM 718 N PHE A 45 0.622 -2.272 7.528 1.00 6.75 N ATOM 719 CA PHE A 45 -0.699 -2.078 8.039 1.00 4.70 C ATOM 720 C PHE A 45 -0.868 -2.637 9.410 1.00 6.34 C ATOM 721 O PHE A 45 -0.760 -3.852 9.568 1.00 5.45 O ATOM 722 CB PHE A 45 -1.791 -2.741 7.183 1.00 5.51 C ATOM 723 CG PHE A 45 -3.161 -2.193 7.394 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.518 -1.021 6.770 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.155 -2.828 8.101 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.781 -0.478 6.797 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.444 -2.351 8.147 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.714 -1.136 7.563 1.00 6.84 C ATOM 0 H PHE A 45 0.942 -3.225 7.701 1.00 6.75 H new ATOM 0 HA PHE A 45 -0.815 -0.994 8.032 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -1.527 -2.630 6.131 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -1.804 -3.810 7.398 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -2.754 -0.491 6.221 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -3.915 -3.733 8.639 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -5.027 0.418 6.246 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.226 -2.918 8.631 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.685 -0.686 7.710 1.00 6.84 H new ATOM 738 N ALA A 46 -1.162 -1.857 10.466 1.00 6.53 N ATOM 739 CA ALA A 46 -0.974 -2.143 11.855 1.00 7.15 C ATOM 740 C ALA A 46 0.421 -2.581 12.139 1.00 9.00 C ATOM 741 O ALA A 46 1.322 -1.752 12.257 1.00 11.15 O ATOM 742 CB ALA A 46 -2.018 -3.151 12.362 1.00 8.99 C ATOM 0 H ALA A 46 -1.573 -0.933 10.330 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.129 -1.218 12.411 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -1.849 -3.348 13.421 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.018 -2.739 12.225 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -1.928 -4.081 11.801 1.00 8.99 H new ATOM 748 N GLY A 47 0.645 -3.883 12.390 1.00 9.35 N ATOM 749 CA GLY A 47 1.921 -4.356 12.828 1.00 11.68 C ATOM 750 C GLY A 47 2.507 -5.434 11.984 1.00 11.14 C ATOM 751 O GLY A 47 3.410 -6.143 12.426 1.00 13.93 O ATOM 0 H GLY A 47 -0.062 -4.612 12.289 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.615 -3.516 12.855 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.826 -4.724 13.850 1.00 11.68 H new ATOM 755 N LYS A 48 2.188 -5.529 10.680 1.00 10.47 N ATOM 756 CA LYS A 48 2.680 -6.520 9.775 1.00 8.82 C ATOM 757 C LYS A 48 2.666 -6.007 8.376 1.00 7.68 C ATOM 758 O LYS A 48 1.920 -5.142 7.921 1.00 6.47 O ATOM 759 CB LYS A 48 1.940 -7.860 9.933 1.00 9.74 C ATOM 760 CG LYS A 48 0.418 -7.828 10.090 1.00 14.14 C ATOM 761 CD LYS A 48 -0.223 -9.180 10.411 1.00 16.32 C ATOM 762 CE LYS A 48 -1.750 -9.137 10.320 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.220 -8.398 11.512 1.00 23.92 N ATOM 0 H LYS A 48 1.548 -4.873 10.232 1.00 10.47 H new ATOM 0 HA LYS A 48 3.720 -6.728 10.028 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.173 -8.474 9.063 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.354 -8.369 10.803 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.163 -7.124 10.882 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.020 -7.444 9.169 1.00 14.14 H new ATOM 0 HD2 LYS A 48 0.158 -9.933 9.721 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.070 -9.489 11.414 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -2.070 -8.640 9.404 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.166 -10.144 10.299 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -3.130 -8.791 11.828 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -1.520 -8.489 12.275 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -2.342 -7.393 11.272 1.00 23.92 H new ATOM 777 N GLN A 49 3.736 -6.411 7.670 1.00 8.89 N ATOM 778 CA GLN A 49 3.830 -6.150 6.267 1.00 7.18 C ATOM 779 C GLN A 49 2.869 -6.961 5.468 1.00 8.23 C ATOM 780 O GLN A 49 2.359 -8.005 5.872 1.00 9.70 O ATOM 781 CB GLN A 49 5.287 -6.374 5.829 1.00 11.67 C ATOM 782 CG GLN A 49 5.716 -7.838 5.947 1.00 15.82 C ATOM 783 CD GLN A 49 7.227 -7.985 6.051 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.976 -7.529 6.913 1.00 23.23 O ATOM 785 NE2 GLN A 49 7.726 -8.627 4.960 1.00 20.67 N ATOM 0 H GLN A 49 4.530 -6.914 8.066 1.00 8.89 H new ATOM 0 HA GLN A 49 3.549 -5.114 6.077 1.00 7.18 H new ATOM 0 HB2 GLN A 49 5.407 -6.046 4.797 1.00 11.67 H new ATOM 0 HB3 GLN A 49 5.945 -5.756 6.439 1.00 11.67 H new ATOM 0 HG2 GLN A 49 5.248 -8.283 6.825 1.00 15.82 H new ATOM 0 HG3 GLN A 49 5.357 -8.392 5.079 1.00 15.82 H new ATOM 0 HE21 GLN A 49 7.092 -9.000 4.253 1.00 20.67 H new ATOM 0 HE22 GLN A 49 8.734 -8.735 4.849 1.00 20.67 H new ATOM 794 N LEU A 50 2.667 -6.567 4.198 1.00 6.51 N ATOM 795 CA LEU A 50 1.644 -7.199 3.423 1.00 7.41 C ATOM 796 C LEU A 50 2.257 -8.039 2.356 1.00 8.27 C ATOM 797 O LEU A 50 3.428 -7.800 2.066 1.00 8.34 O ATOM 798 CB LEU A 50 1.012 -6.000 2.696 1.00 7.13 C ATOM 799 CG LEU A 50 0.219 -5.024 3.582 1.00 7.53 C ATOM 800 CD1 LEU A 50 -0.707 -4.181 2.688 1.00 9.11 C ATOM 801 CD2 LEU A 50 -0.715 -5.767 4.551 1.00 8.14 C ATOM 0 H LEU A 50 3.192 -5.835 3.719 1.00 6.51 H new ATOM 0 HA LEU A 50 0.976 -7.813 4.027 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.804 -5.444 2.194 1.00 7.13 H new ATOM 0 HB3 LEU A 50 0.347 -6.379 1.920 1.00 7.13 H new ATOM 0 HG LEU A 50 0.946 -4.427 4.133 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.274 -3.485 3.306 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.108 -3.622 1.968 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.395 -4.838 2.155 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -1.258 -5.044 5.160 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -1.425 -6.368 3.983 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -0.126 -6.416 5.198 1.00 8.14 H new ATOM 813 N GLU A 51 1.472 -8.976 1.796 1.00 9.43 N ATOM 814 CA GLU A 51 1.986 -9.809 0.754 1.00 11.90 C ATOM 815 C GLU A 51 1.371 -9.431 -0.550 1.00 11.49 C ATOM 816 O GLU A 51 0.150 -9.366 -0.685 1.00 9.88 O ATOM 817 CB GLU A 51 1.546 -11.248 1.071 1.00 16.56 C ATOM 818 CG GLU A 51 2.268 -12.309 0.238 1.00 26.06 C ATOM 819 CD GLU A 51 1.839 -13.709 0.653 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.824 -14.230 0.120 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.502 -14.329 1.528 1.00 32.13 O ATOM 0 H GLU A 51 0.502 -9.155 2.057 1.00 9.43 H new ATOM 0 HA GLU A 51 3.069 -9.707 0.692 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.721 -11.448 2.128 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.473 -11.336 0.904 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.052 -12.156 -0.819 1.00 26.06 H new ATOM 0 HG3 GLU A 51 3.346 -12.203 0.361 1.00 26.06 H new ATOM 828 N ASP A 52 2.236 -9.284 -1.569 1.00 12.71 N ATOM 829 CA ASP A 52 1.920 -8.716 -2.843 1.00 16.56 C ATOM 830 C ASP A 52 0.688 -9.083 -3.597 1.00 15.83 C ATOM 831 O ASP A 52 -0.069 -8.279 -4.137 1.00 17.21 O ATOM 832 CB ASP A 52 3.087 -8.869 -3.833 1.00 21.05 C ATOM 833 CG ASP A 52 4.469 -8.476 -3.330 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.549 -7.280 -2.941 1.00 25.82 O ATOM 835 OD2 ASP A 52 5.420 -9.300 -3.287 1.00 28.37 O ATOM 0 H ASP A 52 3.210 -9.578 -1.500 1.00 12.71 H new ATOM 0 HA ASP A 52 1.712 -7.706 -2.491 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.126 -9.910 -4.154 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.864 -8.271 -4.716 1.00 21.05 H new ATOM 840 N GLY A 53 0.548 -10.416 -3.702 1.00 15.00 N ATOM 841 CA GLY A 53 -0.500 -11.032 -4.454 1.00 11.77 C ATOM 842 C GLY A 53 -1.777 -11.178 -3.700 1.00 11.10 C ATOM 843 O GLY A 53 -2.666 -11.871 -4.192 1.00 11.25 O ATOM 0 H GLY A 53 1.178 -11.081 -3.254 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.685 -10.442 -5.352 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.168 -12.017 -4.782 1.00 11.77 H new ATOM 847 N ARG A 54 -1.933 -10.486 -2.557 1.00 8.53 N ATOM 848 CA ARG A 54 -3.136 -10.441 -1.785 1.00 9.05 C ATOM 849 C ARG A 54 -3.918 -9.201 -2.053 1.00 8.96 C ATOM 850 O ARG A 54 -3.293 -8.229 -2.473 1.00 11.60 O ATOM 851 CB ARG A 54 -2.929 -10.555 -0.265 1.00 7.97 C ATOM 852 CG ARG A 54 -2.138 -11.849 -0.066 1.00 9.62 C ATOM 853 CD ARG A 54 -3.030 -13.081 -0.235 1.00 12.20 C ATOM 854 NE ARG A 54 -2.344 -14.293 0.294 1.00 18.23 N ATOM 855 CZ ARG A 54 -2.876 -15.505 -0.041 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.139 -15.686 -0.527 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.230 -16.649 0.330 1.00 25.50 N ATOM 0 H ARG A 54 -1.181 -9.929 -2.151 1.00 8.53 H new ATOM 0 HA ARG A 54 -3.685 -11.325 -2.112 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.383 -9.696 0.124 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -3.883 -10.591 0.261 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -1.319 -11.890 -0.784 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -1.692 -11.855 0.928 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.973 -12.930 0.290 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -3.271 -13.222 -1.289 1.00 12.20 H new ATOM 0 HE ARG A 54 -1.513 -14.221 0.881 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.754 -14.883 -0.661 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.468 -16.624 -0.756 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.356 -16.594 0.854 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.621 -17.558 0.084 1.00 25.50 H new ATOM 871 N THR A 55 -5.244 -9.231 -1.830 1.00 9.05 N ATOM 872 CA THR A 55 -6.105 -8.124 -2.107 1.00 9.03 C ATOM 873 C THR A 55 -6.148 -7.216 -0.927 1.00 8.15 C ATOM 874 O THR A 55 -5.636 -7.530 0.146 1.00 5.91 O ATOM 875 CB THR A 55 -7.486 -8.448 -2.595 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.195 -9.049 -1.522 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.421 -9.363 -3.830 1.00 11.71 C ATOM 0 H THR A 55 -5.729 -10.043 -1.448 1.00 9.05 H new ATOM 0 HA THR A 55 -5.653 -7.629 -2.966 1.00 9.03 H new ATOM 0 HB THR A 55 -8.008 -7.544 -2.909 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.104 -9.270 -1.814 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.432 -9.588 -4.170 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.873 -8.860 -4.627 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.912 -10.291 -3.569 1.00 11.71 H new ATOM 885 N LEU A 56 -6.583 -5.958 -1.125 1.00 6.91 N ATOM 886 CA LEU A 56 -6.886 -5.033 -0.078 1.00 8.29 C ATOM 887 C LEU A 56 -7.920 -5.544 0.866 1.00 8.05 C ATOM 888 O LEU A 56 -7.852 -5.520 2.094 1.00 10.17 O ATOM 889 CB LEU A 56 -7.368 -3.686 -0.643 1.00 6.60 C ATOM 890 CG LEU A 56 -6.380 -2.794 -1.412 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.162 -1.918 -2.405 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.574 -1.824 -0.532 1.00 9.85 C ATOM 0 H LEU A 56 -6.730 -5.569 -2.057 1.00 6.91 H new ATOM 0 HA LEU A 56 -5.953 -4.899 0.469 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.208 -3.891 -1.306 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -7.756 -3.101 0.191 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.682 -3.484 -1.887 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.468 -1.282 -2.954 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.702 -2.555 -3.105 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.871 -1.295 -1.860 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.904 -1.236 -1.159 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.257 -1.157 -0.005 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -4.989 -2.391 0.193 1.00 9.85 H new ATOM 904 N SER A 57 -9.004 -6.141 0.341 1.00 8.92 N ATOM 905 CA SER A 57 -10.136 -6.708 1.005 1.00 9.00 C ATOM 906 C SER A 57 -9.850 -7.894 1.860 1.00 9.44 C ATOM 907 O SER A 57 -10.611 -8.279 2.747 1.00 10.91 O ATOM 908 CB SER A 57 -11.245 -7.103 0.015 1.00 10.32 C ATOM 909 OG SER A 57 -12.506 -7.363 0.614 1.00 13.59 O ATOM 0 H SER A 57 -9.094 -6.236 -0.671 1.00 8.92 H new ATOM 0 HA SER A 57 -10.459 -5.901 1.662 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.363 -6.304 -0.717 1.00 10.32 H new ATOM 0 HB3 SER A 57 -10.927 -7.991 -0.532 1.00 10.32 H new ATOM 0 HG SER A 57 -13.154 -7.605 -0.080 1.00 13.59 H new ATOM 915 N ASP A 58 -8.672 -8.524 1.705 1.00 9.11 N ATOM 916 CA ASP A 58 -8.250 -9.671 2.447 1.00 7.91 C ATOM 917 C ASP A 58 -7.742 -9.269 3.789 1.00 9.12 C ATOM 918 O ASP A 58 -8.123 -9.869 4.793 1.00 8.61 O ATOM 919 CB ASP A 58 -7.119 -10.358 1.663 1.00 8.41 C ATOM 920 CG ASP A 58 -7.477 -11.366 0.580 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.602 -11.931 0.623 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.653 -11.522 -0.361 1.00 10.05 O ATOM 0 H ASP A 58 -7.977 -8.216 1.025 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.094 -10.347 2.585 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -6.519 -9.576 1.199 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.479 -10.865 2.385 1.00 8.41 H new ATOM 927 N TYR A 59 -6.917 -8.208 3.836 1.00 7.97 N ATOM 928 CA TYR A 59 -6.453 -7.660 5.072 1.00 8.45 C ATOM 929 C TYR A 59 -7.405 -6.672 5.655 1.00 10.98 C ATOM 930 O TYR A 59 -7.214 -6.112 6.733 1.00 12.95 O ATOM 931 CB TYR A 59 -5.133 -6.885 4.928 1.00 7.94 C ATOM 932 CG TYR A 59 -4.091 -7.908 4.633 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.579 -8.816 5.530 1.00 6.98 C ATOM 934 CD2 TYR A 59 -3.544 -7.903 3.372 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.574 -9.661 5.122 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.585 -8.798 2.957 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.054 -9.699 3.850 1.00 6.76 C ATOM 938 OH TYR A 59 -1.117 -10.662 3.419 1.00 7.63 O ATOM 0 H TYR A 59 -6.568 -7.725 3.008 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.336 -8.538 5.708 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.197 -6.150 4.126 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -4.898 -6.340 5.842 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.960 -8.865 6.539 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -3.885 -7.157 2.670 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.164 -10.343 5.852 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.249 -8.793 1.930 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.255 -11.497 3.913 1.00 7.63 H new ATOM 948 N ASN A 60 -8.512 -6.328 4.974 1.00 12.38 N ATOM 949 CA ASN A 60 -9.541 -5.533 5.570 1.00 13.94 C ATOM 950 C ASN A 60 -9.158 -4.096 5.477 1.00 14.16 C ATOM 951 O ASN A 60 -9.270 -3.332 6.434 1.00 14.26 O ATOM 952 CB ASN A 60 -10.189 -5.963 6.898 1.00 19.23 C ATOM 953 CG ASN A 60 -10.671 -7.368 6.566 1.00 22.65 C ATOM 954 OD1 ASN A 60 -9.980 -8.315 6.938 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.885 -7.557 5.984 1.00 24.09 N ATOM 0 H ASN A 60 -8.695 -6.601 4.008 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.422 -5.738 4.961 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.475 -5.959 7.722 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.010 -5.306 7.185 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.243 -8.502 5.847 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.438 -6.754 5.685 1.00 24.09 H new ATOM 962 N ILE A 61 -8.508 -3.687 4.373 1.00 11.08 N ATOM 963 CA ILE A 61 -8.057 -2.334 4.279 1.00 11.78 C ATOM 964 C ILE A 61 -9.132 -1.498 3.674 1.00 13.74 C ATOM 965 O ILE A 61 -9.322 -1.423 2.461 1.00 14.60 O ATOM 966 CB ILE A 61 -6.751 -2.398 3.542 1.00 11.80 C ATOM 967 CG1 ILE A 61 -5.675 -3.045 4.431 1.00 11.56 C ATOM 968 CG2 ILE A 61 -6.251 -1.051 2.994 1.00 13.29 C ATOM 969 CD1 ILE A 61 -4.353 -3.266 3.697 1.00 11.42 C ATOM 0 H ILE A 61 -8.299 -4.275 3.566 1.00 11.08 H new ATOM 0 HA ILE A 61 -7.866 -1.843 5.233 1.00 11.78 H new ATOM 0 HB ILE A 61 -6.942 -3.013 2.662 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.501 -2.412 5.301 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.044 -4.002 4.802 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -5.302 -1.198 2.478 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -6.985 -0.647 2.296 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.111 -0.352 3.819 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -3.633 -3.725 4.375 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -4.517 -3.923 2.842 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -3.965 -2.308 3.350 1.00 11.42 H new ATOM 981 N GLN A 62 -9.902 -0.804 4.530 1.00 13.97 N ATOM 982 CA GLN A 62 -11.089 -0.096 4.163 1.00 15.52 C ATOM 983 C GLN A 62 -10.929 1.305 3.682 1.00 13.94 C ATOM 984 O GLN A 62 -9.800 1.728 3.436 1.00 12.15 O ATOM 985 CB GLN A 62 -12.143 -0.128 5.283 1.00 19.53 C ATOM 986 CG GLN A 62 -12.421 -1.423 6.048 1.00 26.38 C ATOM 987 CD GLN A 62 -13.661 -1.372 6.929 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.722 -1.912 6.620 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.411 -0.895 8.178 1.00 32.71 N ATOM 0 H GLN A 62 -9.687 -0.733 5.525 1.00 13.97 H new ATOM 0 HA GLN A 62 -11.422 -0.656 3.289 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.856 0.625 6.017 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.087 0.197 4.846 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.530 -2.238 5.333 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -11.557 -1.658 6.669 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.515 -0.455 8.386 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -14.120 -0.978 8.907 1.00 32.71 H new ATOM 998 N LYS A 63 -12.045 2.030 3.487 1.00 11.73 N ATOM 999 CA LYS A 63 -11.972 3.403 3.094 1.00 11.97 C ATOM 1000 C LYS A 63 -11.533 4.284 4.211 1.00 10.41 C ATOM 1001 O LYS A 63 -11.787 4.021 5.386 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.217 4.017 2.431 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.448 4.107 3.334 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.800 4.386 2.674 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.077 4.113 3.470 1.00 23.42 C ATOM 1006 NZ LYS A 63 -18.316 4.505 2.762 1.00 25.97 N ATOM 0 H LYS A 63 -12.992 1.669 3.601 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.221 3.362 2.305 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.968 5.018 2.080 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.472 3.425 1.552 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.530 3.168 3.882 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.267 4.891 4.070 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.813 5.435 2.378 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.849 3.796 1.759 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.126 3.050 3.708 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.025 4.650 4.417 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -19.140 4.291 3.360 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.291 5.524 2.558 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.389 3.975 1.870 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.658 5.270 3.942 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.000 6.110 4.894 1.00 10.94 C ATOM 1022 C GLU A 64 -9.082 5.441 5.859 1.00 9.74 C ATOM 1023 O GLU A 64 -8.699 5.959 6.907 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.082 6.899 5.649 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.022 7.692 4.739 1.00 24.16 C ATOM 1026 CD GLU A 64 -13.052 8.441 5.572 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.902 7.791 6.237 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -12.902 9.691 5.629 1.00 32.61 O ATOM 0 H GLU A 64 -10.391 5.496 2.984 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.331 6.748 4.317 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.672 6.205 6.248 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.598 7.587 6.343 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -11.448 8.397 4.137 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.525 7.017 4.047 1.00 24.16 H new ATOM 1035 N SER A 65 -8.744 4.164 5.604 1.00 6.85 N ATOM 1036 CA SER A 65 -7.690 3.566 6.363 1.00 6.90 C ATOM 1037 C SER A 65 -6.271 3.879 6.034 1.00 4.72 C ATOM 1038 O SER A 65 -5.917 3.768 4.861 1.00 3.91 O ATOM 1039 CB SER A 65 -7.821 2.034 6.366 1.00 7.28 C ATOM 1040 OG SER A 65 -9.045 1.581 6.926 1.00 10.56 O ATOM 0 H SER A 65 -9.180 3.566 4.902 1.00 6.85 H new ATOM 0 HA SER A 65 -7.858 4.041 7.330 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.738 1.666 5.343 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.991 1.605 6.927 1.00 7.28 H new ATOM 0 HG SER A 65 -9.074 0.602 6.900 1.00 10.56 H new ATOM 1046 N THR A 66 -5.387 4.163 7.008 1.00 4.48 N ATOM 1047 CA THR A 66 -4.022 4.534 6.800 1.00 3.80 C ATOM 1048 C THR A 66 -3.180 3.308 6.712 1.00 4.60 C ATOM 1049 O THR A 66 -3.131 2.461 7.603 1.00 5.33 O ATOM 1050 CB THR A 66 -3.406 5.335 7.909 1.00 2.85 C ATOM 1051 OG1 THR A 66 -4.186 6.509 8.083 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.964 5.768 7.594 1.00 3.40 C ATOM 0 H THR A 66 -5.640 4.132 7.996 1.00 4.48 H new ATOM 0 HA THR A 66 -4.045 5.137 5.892 1.00 3.80 H new ATOM 0 HB THR A 66 -3.382 4.711 8.802 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.805 7.051 8.805 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.566 6.344 8.429 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.345 4.885 7.435 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.957 6.382 6.694 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.431 3.146 5.607 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.219 2.389 5.546 1.00 3.85 C ATOM 1062 C LEU A 67 0.020 3.188 5.757 1.00 3.80 C ATOM 1063 O LEU A 67 0.024 4.413 5.647 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.037 1.706 4.180 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.139 0.765 3.666 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.533 1.353 3.391 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.688 0.123 2.343 1.00 8.12 C ATOM 0 H LEU A 67 -2.683 3.564 4.711 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.338 1.672 6.358 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.900 2.490 3.435 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.109 1.136 4.218 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.262 0.079 4.504 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.196 0.565 3.035 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.936 1.779 4.310 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.456 2.133 2.633 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.469 -0.544 1.978 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.503 0.903 1.605 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -0.773 -0.445 2.508 1.00 8.12 H new ATOM 1079 N HIS A 68 1.102 2.444 6.049 1.00 2.94 N ATOM 1080 CA HIS A 68 2.387 3.044 6.232 1.00 4.17 C ATOM 1081 C HIS A 68 3.454 2.506 5.342 1.00 5.32 C ATOM 1082 O HIS A 68 3.674 1.296 5.309 1.00 7.70 O ATOM 1083 CB HIS A 68 2.914 2.915 7.672 1.00 5.57 C ATOM 1084 CG HIS A 68 2.067 3.701 8.628 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.089 3.197 9.460 1.00 13.74 N ATOM 1086 CD2 HIS A 68 2.097 5.036 8.891 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.509 4.229 10.130 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.131 5.352 9.824 1.00 16.30 N ATOM 0 H HIS A 68 1.087 1.430 6.158 1.00 2.94 H new ATOM 0 HA HIS A 68 2.194 4.086 5.978 1.00 4.17 H new ATOM 0 HB2 HIS A 68 2.923 1.866 7.967 1.00 5.57 H new ATOM 0 HB3 HIS A 68 3.944 3.268 7.719 1.00 5.57 H new ATOM 0 HD2 HIS A 68 2.776 5.743 8.437 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.329 4.143 10.806 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.935 6.278 10.205 1.00 16.30 H new ATOM 1096 N LEU A 69 4.033 3.386 4.507 1.00 5.29 N ATOM 1097 CA LEU A 69 5.104 2.980 3.650 1.00 3.97 C ATOM 1098 C LEU A 69 6.425 3.133 4.322 1.00 5.07 C ATOM 1099 O LEU A 69 6.717 4.239 4.775 1.00 4.34 O ATOM 1100 CB LEU A 69 4.972 3.830 2.375 1.00 6.08 C ATOM 1101 CG LEU A 69 6.058 3.528 1.329 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.407 3.501 -0.064 1.00 9.96 C ATOM 1103 CD2 LEU A 69 7.203 4.545 1.473 1.00 6.87 C ATOM 0 H LEU A 69 3.765 4.367 4.425 1.00 5.29 H new ATOM 0 HA LEU A 69 5.045 1.921 3.401 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.992 3.657 1.931 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.019 4.885 2.643 1.00 6.08 H new ATOM 0 HG LEU A 69 6.508 2.547 1.483 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.166 3.288 -0.816 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.640 2.727 -0.092 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.952 4.470 -0.272 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.974 4.332 0.732 1.00 6.87 H new ATOM 0 HD22 LEU A 69 6.817 5.552 1.316 1.00 6.87 H new ATOM 0 HD23 LEU A 69 7.631 4.472 2.473 1.00 6.87 H new ATOM 1115 N VAL A 70 7.199 2.034 4.275 1.00 4.29 N ATOM 1116 CA VAL A 70 8.502 2.008 4.865 1.00 6.26 C ATOM 1117 C VAL A 70 9.452 1.537 3.819 1.00 9.22 C ATOM 1118 O VAL A 70 9.178 1.594 2.621 1.00 9.36 O ATOM 1119 CB VAL A 70 8.519 1.163 6.104 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.382 1.688 6.997 1.00 9.76 C ATOM 1121 CG2 VAL A 70 8.391 -0.329 5.755 1.00 8.54 C ATOM 0 H VAL A 70 6.922 1.161 3.827 1.00 4.29 H new ATOM 0 HA VAL A 70 8.804 3.001 5.198 1.00 6.26 H new ATOM 0 HB VAL A 70 9.465 1.237 6.640 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.346 1.107 7.919 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.561 2.736 7.235 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.432 1.593 6.471 1.00 9.76 H new ATOM 0 HG21 VAL A 70 8.406 -0.920 6.671 1.00 8.54 H new ATOM 0 HG22 VAL A 70 7.452 -0.500 5.228 1.00 8.54 H new ATOM 0 HG23 VAL A 70 9.224 -0.626 5.118 1.00 8.54 H new ATOM 1131 N LEU A 71 10.672 1.200 4.276 1.00 12.71 N ATOM 1132 CA LEU A 71 11.729 0.881 3.368 1.00 16.06 C ATOM 1133 C LEU A 71 11.992 -0.574 3.549 1.00 18.09 C ATOM 1134 O LEU A 71 11.983 -1.117 4.653 1.00 19.26 O ATOM 1135 CB LEU A 71 12.953 1.698 3.814 1.00 17.10 C ATOM 1136 CG LEU A 71 14.237 1.444 3.006 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.131 1.526 1.473 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.335 2.340 3.603 1.00 17.51 C ATOM 0 H LEU A 71 10.924 1.149 5.263 1.00 12.71 H new ATOM 0 HA LEU A 71 11.497 1.102 2.326 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.706 2.758 3.750 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.153 1.480 4.863 1.00 17.10 H new ATOM 0 HG LEU A 71 14.487 0.389 3.115 1.00 19.37 H new ATOM 0 HD11 LEU A 71 15.107 1.327 1.030 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.413 0.787 1.118 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.798 2.523 1.184 1.00 19.57 H new ATOM 0 HD21 LEU A 71 16.265 2.189 3.056 1.00 17.51 H new ATOM 0 HD22 LEU A 71 15.034 3.385 3.526 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.485 2.082 4.651 1.00 17.51 H new ATOM 1150 N ARG A 72 12.283 -1.233 2.414 1.00 21.47 N ATOM 1151 CA ARG A 72 12.562 -2.634 2.474 1.00 25.83 C ATOM 1152 C ARG A 72 14.042 -2.802 2.508 1.00 27.74 C ATOM 1153 O ARG A 72 14.728 -2.454 1.548 1.00 30.65 O ATOM 1154 CB ARG A 72 12.020 -3.436 1.278 1.00 28.49 C ATOM 1155 CG ARG A 72 11.924 -4.943 1.527 1.00 31.79 C ATOM 1156 CD ARG A 72 11.440 -5.793 0.351 1.00 34.05 C ATOM 1157 NE ARG A 72 12.630 -5.915 -0.538 1.00 35.08 N ATOM 1158 CZ ARG A 72 12.669 -6.373 -1.823 1.00 34.67 C ATOM 1159 NH1 ARG A 72 11.631 -6.997 -2.452 1.00 35.02 N ATOM 1160 NH2 ARG A 72 13.757 -6.037 -2.577 1.00 34.97 N ATOM 0 H ARG A 72 12.325 -0.815 1.485 1.00 21.47 H new ATOM 0 HA ARG A 72 12.064 -3.020 3.363 1.00 25.83 H new ATOM 0 HB2 ARG A 72 11.031 -3.058 1.019 1.00 28.49 H new ATOM 0 HB3 ARG A 72 12.664 -3.261 0.416 1.00 28.49 H new ATOM 0 HG2 ARG A 72 12.907 -5.304 1.828 1.00 31.79 H new ATOM 0 HG3 ARG A 72 11.252 -5.109 2.369 1.00 31.79 H new ATOM 0 HD2 ARG A 72 11.092 -6.771 0.685 1.00 34.05 H new ATOM 0 HD3 ARG A 72 10.606 -5.317 -0.165 1.00 34.05 H new ATOM 0 HE ARG A 72 13.521 -5.621 -0.138 1.00 35.08 H new ATOM 0 HH11 ARG A 72 10.752 -7.148 -1.958 1.00 35.02 H new ATOM 0 HH12 ARG A 72 11.735 -7.313 -3.416 1.00 35.02 H new ATOM 0 HH21 ARG A 72 14.499 -5.465 -2.174 1.00 34.97 H new ATOM 0 HH22 ARG A 72 13.827 -6.358 -3.543 1.00 34.97 H new ATOM 1174 N LEU A 73 14.636 -3.369 3.574 1.00 28.93 N ATOM 1175 CA LEU A 73 15.945 -3.938 3.490 1.00 30.76 C ATOM 1176 C LEU A 73 15.940 -5.427 3.535 1.00 32.18 C ATOM 1177 O LEU A 73 15.219 -6.059 4.305 1.00 32.31 O ATOM 1178 CB LEU A 73 16.867 -3.328 4.559 1.00 30.53 C ATOM 1179 CG LEU A 73 16.912 -1.792 4.497 1.00 30.16 C ATOM 1180 CD1 LEU A 73 17.489 -1.421 5.874 1.00 29.11 C ATOM 1181 CD2 LEU A 73 17.738 -1.356 3.275 1.00 29.57 C ATOM 0 H LEU A 73 14.207 -3.433 4.497 1.00 28.93 H new ATOM 0 HA LEU A 73 16.345 -3.682 2.509 1.00 30.76 H new ATOM 0 HB2 LEU A 73 16.526 -3.638 5.547 1.00 30.53 H new ATOM 0 HB3 LEU A 73 17.875 -3.722 4.432 1.00 30.53 H new ATOM 0 HG LEU A 73 15.961 -1.281 4.345 1.00 30.16 H new ATOM 0 HD11 LEU A 73 17.571 -0.337 5.954 1.00 29.11 H new ATOM 0 HD12 LEU A 73 16.829 -1.794 6.657 1.00 29.11 H new ATOM 0 HD13 LEU A 73 18.476 -1.869 5.988 1.00 29.11 H new ATOM 0 HD21 LEU A 73 17.772 -0.268 3.228 1.00 29.57 H new ATOM 0 HD22 LEU A 73 18.752 -1.747 3.363 1.00 29.57 H new ATOM 0 HD23 LEU A 73 17.277 -1.744 2.367 1.00 29.57 H new ATOM 1193 N ARG A 74 16.707 -6.077 2.641 1.00 33.82 N ATOM 1194 CA ARG A 74 16.688 -7.501 2.503 1.00 35.33 C ATOM 1195 C ARG A 74 17.374 -8.146 3.658 1.00 36.22 C ATOM 1196 O ARG A 74 18.599 -8.121 3.766 1.00 36.70 O ATOM 1197 CB ARG A 74 17.087 -7.962 1.091 1.00 36.91 C ATOM 1198 CG ARG A 74 16.863 -9.420 0.684 1.00 38.62 C ATOM 1199 CD ARG A 74 15.379 -9.784 0.603 1.00 39.75 C ATOM 1200 NE ARG A 74 14.732 -9.079 -0.539 1.00 41.13 N ATOM 1201 CZ ARG A 74 13.888 -9.816 -1.319 1.00 41.91 C ATOM 1202 NH1 ARG A 74 12.761 -10.339 -0.753 1.00 42.75 N ATOM 1203 NH2 ARG A 74 14.018 -9.919 -2.674 1.00 41.93 N ATOM 0 H ARG A 74 17.350 -5.607 2.004 1.00 33.82 H new ATOM 0 HA ARG A 74 15.664 -7.868 2.568 1.00 35.33 H new ATOM 0 HB2 ARG A 74 16.548 -7.337 0.379 1.00 36.91 H new ATOM 0 HB3 ARG A 74 18.148 -7.747 0.965 1.00 36.91 H new ATOM 0 HG2 ARG A 74 17.331 -9.600 -0.284 1.00 38.62 H new ATOM 0 HG3 ARG A 74 17.356 -10.074 1.403 1.00 38.62 H new ATOM 0 HD2 ARG A 74 15.269 -10.862 0.483 1.00 39.75 H new ATOM 0 HD3 ARG A 74 14.881 -9.514 1.534 1.00 39.75 H new ATOM 0 HE ARG A 74 14.911 -8.093 -0.729 1.00 41.13 H new ATOM 0 HH11 ARG A 74 12.563 -10.176 0.234 1.00 42.75 H new ATOM 0 HH12 ARG A 74 12.117 -10.893 -1.317 1.00 42.75 H new ATOM 0 HH21 ARG A 74 14.775 -9.431 -3.152 1.00 41.93 H new ATOM 0 HH22 ARG A 74 13.358 -10.484 -3.208 1.00 41.93 H new ATOM 1217 N GLY A 75 16.625 -8.916 4.468 1.00 36.31 N ATOM 1218 CA GLY A 75 17.185 -9.443 5.674 1.00 36.07 C ATOM 1219 C GLY A 75 16.094 -9.756 6.639 1.00 36.16 C ATOM 1220 O GLY A 75 16.182 -10.720 7.397 1.00 36.26 O ATOM 0 H GLY A 75 15.652 -9.170 4.294 1.00 36.31 H new ATOM 0 HA2 GLY A 75 17.760 -10.343 5.456 1.00 36.07 H new ATOM 0 HA3 GLY A 75 17.875 -8.722 6.112 1.00 36.07 H new ATOM 1224 N GLY A 76 15.242 -8.732 6.829 1.00 36.05 N ATOM 1225 CA GLY A 76 14.035 -8.878 7.582 1.00 36.19 C ATOM 1226 C GLY A 76 12.908 -8.128 6.887 1.00 36.20 C ATOM 1227 O GLY A 76 12.289 -8.558 5.876 1.00 36.13 O ATOM 1228 OXT GLY A 76 12.566 -7.073 7.484 1.00 36.27 O ATOM 0 H GLY A 76 15.392 -7.794 6.457 1.00 36.05 H new ATOM 0 HA2 GLY A 76 13.779 -9.933 7.677 1.00 36.19 H new ATOM 0 HA3 GLY A 76 14.175 -8.491 8.591 1.00 36.19 H new TER 1232 GLY A 76