USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 53 LYS NZ :NH3+ -149:sc= -0.271 (180deg=-0.661) USER MOD Set 1.2: A 60 SER OG : rot 160:sc= -0.0754 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.243 K(o=-0.24,f=-2.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc=-0.00246 X(o=-0.0025,f=-0.0025) USER MOD Single : A 22 HIS : no HE2:sc= -1.15 X(o=-1.2,f=-1) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.23 F(o=-1.2,f=-0.23) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1 X(o=-1,f=-0.54) USER MOD Single : A 39 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.016) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.56! C(o=-2.6!,f=-7.8!) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0501) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc=-0.00589 (180deg=-0.0911) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -156:sc= -2.38 (180deg=-4.36!) USER MOD Single : A 66 THR OG1 : rot -117:sc= -1.05 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -125:sc= -0.0705 (180deg=-1.54) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.105 11.095 10.959 1.00 0.00 N ATOM 60 CA GLY A 7 5.038 10.112 10.923 1.00 0.00 C ATOM 61 C GLY A 7 3.663 10.747 10.987 1.00 0.00 C ATOM 62 O GLY A 7 3.532 11.933 11.292 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.121 9.523 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.155 9.422 11.758 1.00 0.00 H new ATOM 66 N LEU A 8 2.635 9.957 10.698 1.00 0.00 N ATOM 67 CA LEU A 8 1.262 10.449 10.722 1.00 0.00 C ATOM 68 C LEU A 8 0.339 9.454 11.418 1.00 0.00 C ATOM 69 O LEU A 8 0.573 8.246 11.386 1.00 0.00 O ATOM 70 CB LEU A 8 0.767 10.711 9.298 1.00 0.00 C ATOM 71 CG LEU A 8 0.909 9.549 8.314 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.189 9.602 7.264 1.00 0.00 C ATOM 73 CD2 LEU A 8 2.281 9.572 7.656 1.00 0.00 C ATOM 0 H LEU A 8 2.726 8.973 10.444 1.00 0.00 H new ATOM 0 HA LEU A 8 1.248 11.384 11.282 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.285 10.993 9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.309 11.568 8.898 1.00 0.00 H new ATOM 0 HG LEU A 8 0.809 8.615 8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.072 8.768 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.162 9.536 7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.122 10.541 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.364 8.738 6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.410 10.510 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.053 9.484 8.421 1.00 0.00 H new ATOM 85 N THR A 9 -0.714 9.970 12.046 1.00 0.00 N ATOM 86 CA THR A 9 -1.673 9.128 12.748 1.00 0.00 C ATOM 87 C THR A 9 -2.923 8.898 11.907 1.00 0.00 C ATOM 88 O THR A 9 -3.819 9.741 11.864 1.00 0.00 O ATOM 89 CB THR A 9 -2.083 9.748 14.097 1.00 0.00 C ATOM 90 OG1 THR A 9 -0.923 9.973 14.906 1.00 0.00 O ATOM 91 CG2 THR A 9 -3.055 8.841 14.837 1.00 0.00 C ATOM 0 H THR A 9 -0.923 10.968 12.082 1.00 0.00 H new ATOM 0 HA THR A 9 -1.180 8.173 12.930 1.00 0.00 H new ATOM 0 HB THR A 9 -2.577 10.699 13.899 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.192 10.369 15.761 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.330 9.300 15.787 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.950 8.696 14.232 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.583 7.877 15.024 1.00 0.00 H new ATOM 99 N VAL A 10 -2.978 7.750 11.238 1.00 0.00 N ATOM 100 CA VAL A 10 -4.120 7.408 10.398 1.00 0.00 C ATOM 101 C VAL A 10 -4.739 6.083 10.826 1.00 0.00 C ATOM 102 O VAL A 10 -4.031 5.116 11.110 1.00 0.00 O ATOM 103 CB VAL A 10 -3.718 7.319 8.914 1.00 0.00 C ATOM 104 CG1 VAL A 10 -2.442 6.508 8.754 1.00 0.00 C ATOM 105 CG2 VAL A 10 -4.849 6.718 8.092 1.00 0.00 C ATOM 0 H VAL A 10 -2.245 7.041 11.262 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.854 8.205 10.521 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.527 8.327 8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.174 6.456 7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.635 6.985 9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.601 5.500 9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.549 6.662 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.073 5.716 8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.737 7.344 8.182 1.00 0.00 H new ATOM 115 N THR A 11 -6.068 6.043 10.871 1.00 0.00 N ATOM 116 CA THR A 11 -6.784 4.837 11.265 1.00 0.00 C ATOM 117 C THR A 11 -7.186 4.013 10.047 1.00 0.00 C ATOM 118 O THR A 11 -7.571 4.562 9.014 1.00 0.00 O ATOM 119 CB THR A 11 -8.046 5.174 12.082 1.00 0.00 C ATOM 120 OG1 THR A 11 -7.695 5.973 13.217 1.00 0.00 O ATOM 121 CG2 THR A 11 -8.745 3.905 12.545 1.00 0.00 C ATOM 0 H THR A 11 -6.670 6.833 10.639 1.00 0.00 H new ATOM 0 HA THR A 11 -6.103 4.254 11.886 1.00 0.00 H new ATOM 0 HB THR A 11 -8.729 5.733 11.442 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.502 6.185 13.730 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.633 4.168 13.120 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.036 3.313 11.677 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.067 3.324 13.170 1.00 0.00 H new ATOM 129 N VAL A 12 -7.093 2.693 10.174 1.00 0.00 N ATOM 130 CA VAL A 12 -7.450 1.794 9.083 1.00 0.00 C ATOM 131 C VAL A 12 -8.685 0.971 9.430 1.00 0.00 C ATOM 132 O VAL A 12 -8.684 0.205 10.395 1.00 0.00 O ATOM 133 CB VAL A 12 -6.290 0.839 8.741 1.00 0.00 C ATOM 134 CG1 VAL A 12 -6.793 -0.342 7.926 1.00 0.00 C ATOM 135 CG2 VAL A 12 -5.191 1.582 7.996 1.00 0.00 C ATOM 0 H VAL A 12 -6.774 2.223 11.021 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.665 2.419 8.216 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.872 0.455 9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.960 -1.005 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.542 -0.887 8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.238 0.019 6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.380 0.893 7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.594 1.995 7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.811 2.391 8.620 1.00 0.00 H new ATOM 145 N THR A 13 -9.740 1.133 8.638 1.00 0.00 N ATOM 146 CA THR A 13 -10.983 0.406 8.861 1.00 0.00 C ATOM 147 C THR A 13 -10.940 -0.971 8.208 1.00 0.00 C ATOM 148 O THR A 13 -11.133 -1.102 6.999 1.00 0.00 O ATOM 149 CB THR A 13 -12.195 1.184 8.313 1.00 0.00 C ATOM 150 OG1 THR A 13 -12.328 2.431 9.003 1.00 0.00 O ATOM 151 CG2 THR A 13 -13.473 0.373 8.468 1.00 0.00 C ATOM 0 H THR A 13 -9.758 1.762 7.835 1.00 0.00 H new ATOM 0 HA THR A 13 -11.092 0.290 9.939 1.00 0.00 H new ATOM 0 HB THR A 13 -12.030 1.372 7.252 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.099 2.921 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.315 0.942 8.074 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.379 -0.563 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.642 0.158 9.523 1.00 0.00 H new ATOM 159 N HIS A 14 -10.685 -1.996 9.016 1.00 0.00 N ATOM 160 CA HIS A 14 -10.618 -3.364 8.516 1.00 0.00 C ATOM 161 C HIS A 14 -11.578 -4.270 9.281 1.00 0.00 C ATOM 162 O HIS A 14 -11.905 -4.007 10.438 1.00 0.00 O ATOM 163 CB HIS A 14 -9.191 -3.902 8.630 1.00 0.00 C ATOM 164 CG HIS A 14 -8.990 -5.217 7.943 1.00 0.00 C ATOM 165 ND1 HIS A 14 -9.007 -6.425 8.609 1.00 0.00 N ATOM 166 CD2 HIS A 14 -8.768 -5.511 6.640 1.00 0.00 C ATOM 167 CE1 HIS A 14 -8.803 -7.404 7.746 1.00 0.00 C ATOM 168 NE2 HIS A 14 -8.655 -6.876 6.544 1.00 0.00 N ATOM 0 H HIS A 14 -10.522 -1.905 10.019 1.00 0.00 H new ATOM 0 HA HIS A 14 -10.913 -3.356 7.467 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.501 -3.171 8.207 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.935 -4.009 9.684 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.154 -6.544 9.611 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.694 -4.803 5.827 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.764 -8.457 7.983 1.00 0.00 H new ATOM 177 N SER A 15 -12.027 -5.336 8.626 1.00 0.00 N ATOM 178 CA SER A 15 -12.954 -6.278 9.243 1.00 0.00 C ATOM 179 C SER A 15 -14.079 -5.541 9.963 1.00 0.00 C ATOM 180 O SER A 15 -14.501 -5.937 11.048 1.00 0.00 O ATOM 181 CB SER A 15 -12.212 -7.185 10.227 1.00 0.00 C ATOM 182 OG SER A 15 -12.829 -8.458 10.311 1.00 0.00 O ATOM 0 H SER A 15 -11.764 -5.569 7.668 1.00 0.00 H new ATOM 0 HA SER A 15 -13.391 -6.890 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.175 -7.300 9.910 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.194 -6.720 11.213 1.00 0.00 H new ATOM 0 HG SER A 15 -12.336 -9.020 10.945 1.00 0.00 H new ATOM 188 N ASN A 16 -14.560 -4.464 9.349 1.00 0.00 N ATOM 189 CA ASN A 16 -15.636 -3.670 9.931 1.00 0.00 C ATOM 190 C ASN A 16 -15.267 -3.197 11.334 1.00 0.00 C ATOM 191 O ASN A 16 -16.118 -3.126 12.219 1.00 0.00 O ATOM 192 CB ASN A 16 -16.930 -4.484 9.979 1.00 0.00 C ATOM 193 CG ASN A 16 -17.164 -5.274 8.706 1.00 0.00 C ATOM 194 OD1 ASN A 16 -16.524 -6.299 8.472 1.00 0.00 O ATOM 195 ND2 ASN A 16 -18.086 -4.800 7.876 1.00 0.00 N ATOM 0 H ASN A 16 -14.222 -4.122 8.450 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.789 -2.794 9.301 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.894 -5.168 10.827 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -17.772 -3.813 10.147 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -18.287 -5.290 7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -18.593 -3.946 8.110 1.00 0.00 H new ATOM 202 N GLU A 17 -13.991 -2.875 11.527 1.00 0.00 N ATOM 203 CA GLU A 17 -13.510 -2.409 12.822 1.00 0.00 C ATOM 204 C GLU A 17 -12.670 -1.145 12.668 1.00 0.00 C ATOM 205 O GLU A 17 -12.496 -0.632 11.562 1.00 0.00 O ATOM 206 CB GLU A 17 -12.686 -3.502 13.507 1.00 0.00 C ATOM 207 CG GLU A 17 -13.505 -4.713 13.920 1.00 0.00 C ATOM 208 CD GLU A 17 -14.109 -4.566 15.303 1.00 0.00 C ATOM 209 OE1 GLU A 17 -13.390 -4.813 16.293 1.00 0.00 O ATOM 210 OE2 GLU A 17 -15.301 -4.204 15.395 1.00 0.00 O ATOM 0 H GLU A 17 -13.273 -2.928 10.804 1.00 0.00 H new ATOM 0 HA GLU A 17 -14.377 -2.175 13.440 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.892 -3.824 12.832 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.203 -3.082 14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -14.303 -4.872 13.194 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.872 -5.600 13.897 1.00 0.00 H new ATOM 217 N LYS A 18 -12.150 -0.647 13.785 1.00 0.00 N ATOM 218 CA LYS A 18 -11.327 0.557 13.776 1.00 0.00 C ATOM 219 C LYS A 18 -9.980 0.300 14.443 1.00 0.00 C ATOM 220 O LYS A 18 -9.918 -0.132 15.594 1.00 0.00 O ATOM 221 CB LYS A 18 -12.052 1.700 14.491 1.00 0.00 C ATOM 222 CG LYS A 18 -11.553 3.079 14.094 1.00 0.00 C ATOM 223 CD LYS A 18 -11.858 4.112 15.166 1.00 0.00 C ATOM 224 CE LYS A 18 -13.351 4.386 15.267 1.00 0.00 C ATOM 225 NZ LYS A 18 -13.773 5.496 14.368 1.00 0.00 N ATOM 0 H LYS A 18 -12.284 -1.059 14.708 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.151 0.839 12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.119 1.633 14.277 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.935 1.576 15.568 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.478 3.041 13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.018 3.379 13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.486 3.760 16.128 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.331 5.039 14.940 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.904 3.482 15.012 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.606 4.636 16.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.797 5.652 14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.264 6.365 14.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.553 5.247 13.382 1.00 0.00 H new ATOM 239 N HIS A 19 -8.902 0.569 13.712 1.00 0.00 N ATOM 240 CA HIS A 19 -7.555 0.368 14.234 1.00 0.00 C ATOM 241 C HIS A 19 -6.668 1.570 13.924 1.00 0.00 C ATOM 242 O HIS A 19 -6.391 1.866 12.762 1.00 0.00 O ATOM 243 CB HIS A 19 -6.940 -0.901 13.643 1.00 0.00 C ATOM 244 CG HIS A 19 -7.714 -2.144 13.958 1.00 0.00 C ATOM 245 ND1 HIS A 19 -7.631 -2.795 15.171 1.00 0.00 N ATOM 246 CD2 HIS A 19 -8.590 -2.855 13.210 1.00 0.00 C ATOM 247 CE1 HIS A 19 -8.421 -3.853 15.155 1.00 0.00 C ATOM 248 NE2 HIS A 19 -9.016 -3.912 13.977 1.00 0.00 N ATOM 0 H HIS A 19 -8.935 0.926 12.757 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.624 0.259 15.316 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.870 -0.791 12.561 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.923 -1.011 14.019 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.897 -2.633 12.199 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.558 -4.552 15.967 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.683 -4.626 13.685 1.00 0.00 H new ATOM 257 N ASP A 20 -6.225 2.258 14.971 1.00 0.00 N ATOM 258 CA ASP A 20 -5.369 3.427 14.810 1.00 0.00 C ATOM 259 C ASP A 20 -3.921 3.012 14.569 1.00 0.00 C ATOM 260 O ASP A 20 -3.351 2.235 15.335 1.00 0.00 O ATOM 261 CB ASP A 20 -5.456 4.323 16.047 1.00 0.00 C ATOM 262 CG ASP A 20 -5.043 3.602 17.315 1.00 0.00 C ATOM 263 OD1 ASP A 20 -3.824 3.493 17.566 1.00 0.00 O ATOM 264 OD2 ASP A 20 -5.938 3.146 18.056 1.00 0.00 O ATOM 0 H ASP A 20 -6.445 2.026 15.940 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.718 3.985 13.941 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.819 5.196 15.905 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.477 4.688 16.156 1.00 0.00 H new ATOM 269 N LEU A 21 -3.332 3.533 13.498 1.00 0.00 N ATOM 270 CA LEU A 21 -1.951 3.216 13.154 1.00 0.00 C ATOM 271 C LEU A 21 -1.120 4.487 13.007 1.00 0.00 C ATOM 272 O LEU A 21 -1.620 5.518 12.557 1.00 0.00 O ATOM 273 CB LEU A 21 -1.900 2.407 11.857 1.00 0.00 C ATOM 274 CG LEU A 21 -2.892 1.247 11.750 1.00 0.00 C ATOM 275 CD1 LEU A 21 -2.752 0.547 10.407 1.00 0.00 C ATOM 276 CD2 LEU A 21 -2.685 0.262 12.891 1.00 0.00 C ATOM 0 H LEU A 21 -3.790 4.177 12.853 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.529 2.620 13.963 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.074 3.086 11.022 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.892 2.009 11.740 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.902 1.650 11.823 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.465 -0.275 10.349 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.951 1.257 9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.740 0.157 10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.399 -0.556 12.799 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.671 -0.135 12.850 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.837 0.771 13.843 1.00 0.00 H new ATOM 288 N HIS A 22 0.151 4.405 13.387 1.00 0.00 N ATOM 289 CA HIS A 22 1.052 5.548 13.294 1.00 0.00 C ATOM 290 C HIS A 22 2.122 5.311 12.233 1.00 0.00 C ATOM 291 O HIS A 22 3.090 4.586 12.464 1.00 0.00 O ATOM 292 CB HIS A 22 1.710 5.816 14.648 1.00 0.00 C ATOM 293 CG HIS A 22 2.818 6.822 14.586 1.00 0.00 C ATOM 294 ND1 HIS A 22 3.800 6.920 15.550 1.00 0.00 N ATOM 295 CD2 HIS A 22 3.098 7.775 13.667 1.00 0.00 C ATOM 296 CE1 HIS A 22 4.634 7.892 15.227 1.00 0.00 C ATOM 297 NE2 HIS A 22 4.231 8.427 14.089 1.00 0.00 N ATOM 0 H HIS A 22 0.580 3.559 13.762 1.00 0.00 H new ATOM 0 HA HIS A 22 0.465 6.420 13.004 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.952 6.165 15.349 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.102 4.879 15.044 1.00 0.00 H new ATOM 0 HD1 HIS A 22 3.871 6.334 16.382 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.535 7.984 12.769 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.499 8.197 15.797 1.00 0.00 H new ATOM 306 N VAL A 23 1.941 5.927 11.069 1.00 0.00 N ATOM 307 CA VAL A 23 2.891 5.784 9.972 1.00 0.00 C ATOM 308 C VAL A 23 4.154 6.598 10.230 1.00 0.00 C ATOM 309 O VAL A 23 4.098 7.693 10.791 1.00 0.00 O ATOM 310 CB VAL A 23 2.273 6.226 8.633 1.00 0.00 C ATOM 311 CG1 VAL A 23 3.082 5.682 7.465 1.00 0.00 C ATOM 312 CG2 VAL A 23 0.822 5.776 8.542 1.00 0.00 C ATOM 0 H VAL A 23 1.145 6.530 10.861 1.00 0.00 H new ATOM 0 HA VAL A 23 3.149 4.727 9.912 1.00 0.00 H new ATOM 0 HB VAL A 23 2.296 7.315 8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.630 6.005 6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.103 6.058 7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.093 4.593 7.506 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.401 6.097 7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.773 4.689 8.613 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.252 6.219 9.358 1.00 0.00 H new ATOM 322 N THR A 24 5.295 6.057 9.815 1.00 0.00 N ATOM 323 CA THR A 24 6.574 6.732 10.000 1.00 0.00 C ATOM 324 C THR A 24 7.435 6.633 8.747 1.00 0.00 C ATOM 325 O THR A 24 7.177 5.810 7.868 1.00 0.00 O ATOM 326 CB THR A 24 7.352 6.143 11.192 1.00 0.00 C ATOM 327 OG1 THR A 24 7.499 4.728 11.030 1.00 0.00 O ATOM 328 CG2 THR A 24 6.638 6.437 12.503 1.00 0.00 C ATOM 0 H THR A 24 5.360 5.152 9.348 1.00 0.00 H new ATOM 0 HA THR A 24 6.352 7.780 10.202 1.00 0.00 H new ATOM 0 HB THR A 24 8.337 6.609 11.221 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.996 4.362 11.791 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.206 6.011 13.330 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.554 7.515 12.638 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.642 5.995 12.482 1.00 0.00 H new ATOM 336 N SER A 25 8.460 7.476 8.670 1.00 0.00 N ATOM 337 CA SER A 25 9.358 7.486 7.521 1.00 0.00 C ATOM 338 C SER A 25 10.089 6.153 7.393 1.00 0.00 C ATOM 339 O SER A 25 10.031 5.313 8.290 1.00 0.00 O ATOM 340 CB SER A 25 10.370 8.626 7.648 1.00 0.00 C ATOM 341 OG SER A 25 11.187 8.458 8.793 1.00 0.00 O ATOM 0 H SER A 25 8.689 8.161 9.390 1.00 0.00 H new ATOM 0 HA SER A 25 8.759 7.640 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.994 8.664 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.844 9.578 7.710 1.00 0.00 H new ATOM 0 HG SER A 25 11.826 9.199 8.850 1.00 0.00 H new ATOM 347 N GLN A 26 10.777 5.968 6.271 1.00 0.00 N ATOM 348 CA GLN A 26 11.519 4.738 6.024 1.00 0.00 C ATOM 349 C GLN A 26 12.999 4.922 6.342 1.00 0.00 C ATOM 350 O GLN A 26 13.865 4.484 5.585 1.00 0.00 O ATOM 351 CB GLN A 26 11.349 4.298 4.569 1.00 0.00 C ATOM 352 CG GLN A 26 9.899 4.100 4.158 1.00 0.00 C ATOM 353 CD GLN A 26 9.353 2.749 4.577 1.00 0.00 C ATOM 354 OE1 GLN A 26 9.060 2.602 5.863 1.00 0.00 O flip ATOM 355 NE2 GLN A 26 9.195 1.848 3.752 1.00 0.00 N flip ATOM 0 H GLN A 26 10.836 6.654 5.519 1.00 0.00 H new ATOM 0 HA GLN A 26 11.119 3.964 6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.804 5.044 3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.892 3.366 4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.289 4.887 4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.815 4.202 3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.434 2.005 2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.825 0.945 4.048 1.00 0.00 H new ATOM 364 N GLN A 27 13.281 5.573 7.466 1.00 0.00 N ATOM 365 CA GLN A 27 14.657 5.815 7.884 1.00 0.00 C ATOM 366 C GLN A 27 15.506 6.292 6.710 1.00 0.00 C ATOM 367 O GLN A 27 16.674 5.928 6.587 1.00 0.00 O ATOM 368 CB GLN A 27 15.262 4.544 8.483 1.00 0.00 C ATOM 369 CG GLN A 27 16.384 4.813 9.473 1.00 0.00 C ATOM 370 CD GLN A 27 16.990 3.539 10.028 1.00 0.00 C ATOM 371 OE1 GLN A 27 16.891 3.260 11.223 1.00 0.00 O ATOM 372 NE2 GLN A 27 17.623 2.758 9.160 1.00 0.00 N ATOM 0 H GLN A 27 12.575 5.942 8.103 1.00 0.00 H new ATOM 0 HA GLN A 27 14.647 6.597 8.644 1.00 0.00 H new ATOM 0 HB2 GLN A 27 14.476 3.978 8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 27 15.643 3.918 7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 27 17.163 5.398 8.984 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.001 5.417 10.295 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.681 3.029 8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.051 1.888 9.475 1.00 0.00 H new ATOM 381 N GLY A 28 14.909 7.111 5.848 1.00 0.00 N ATOM 382 CA GLY A 28 15.625 7.624 4.695 1.00 0.00 C ATOM 383 C GLY A 28 14.921 8.803 4.053 1.00 0.00 C ATOM 384 O GLY A 28 15.432 9.923 4.069 1.00 0.00 O ATOM 0 H GLY A 28 13.943 7.428 5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.628 7.925 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.740 6.828 3.959 1.00 0.00 H new ATOM 388 N SER A 29 13.746 8.551 3.485 1.00 0.00 N ATOM 389 CA SER A 29 12.974 9.600 2.829 1.00 0.00 C ATOM 390 C SER A 29 12.562 10.677 3.829 1.00 0.00 C ATOM 391 O SER A 29 12.136 10.374 4.944 1.00 0.00 O ATOM 392 CB SER A 29 11.732 9.007 2.161 1.00 0.00 C ATOM 393 OG SER A 29 11.349 9.769 1.029 1.00 0.00 O ATOM 0 H SER A 29 13.308 7.630 3.466 1.00 0.00 H new ATOM 0 HA SER A 29 13.604 10.058 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.933 7.979 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.910 8.975 2.877 1.00 0.00 H new ATOM 0 HG SER A 29 10.554 9.369 0.619 1.00 0.00 H new ATOM 399 N SER A 30 12.692 11.935 3.421 1.00 0.00 N ATOM 400 CA SER A 30 12.337 13.058 4.282 1.00 0.00 C ATOM 401 C SER A 30 10.934 12.881 4.855 1.00 0.00 C ATOM 402 O SER A 30 10.679 13.213 6.012 1.00 0.00 O ATOM 403 CB SER A 30 12.420 14.371 3.502 1.00 0.00 C ATOM 404 OG SER A 30 12.013 15.467 4.303 1.00 0.00 O ATOM 0 H SER A 30 13.040 12.203 2.500 1.00 0.00 H new ATOM 0 HA SER A 30 13.047 13.089 5.109 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.442 14.529 3.157 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.790 14.311 2.615 1.00 0.00 H new ATOM 0 HG SER A 30 12.077 16.295 3.782 1.00 0.00 H new ATOM 410 N GLU A 31 10.029 12.356 4.035 1.00 0.00 N ATOM 411 CA GLU A 31 8.651 12.136 4.460 1.00 0.00 C ATOM 412 C GLU A 31 8.219 10.699 4.182 1.00 0.00 C ATOM 413 O GLU A 31 8.664 10.064 3.226 1.00 0.00 O ATOM 414 CB GLU A 31 7.712 13.110 3.744 1.00 0.00 C ATOM 415 CG GLU A 31 7.687 12.934 2.235 1.00 0.00 C ATOM 416 CD GLU A 31 6.585 13.737 1.573 1.00 0.00 C ATOM 417 OE1 GLU A 31 6.159 14.756 2.156 1.00 0.00 O ATOM 418 OE2 GLU A 31 6.148 13.346 0.470 1.00 0.00 O ATOM 0 H GLU A 31 10.225 12.075 3.074 1.00 0.00 H new ATOM 0 HA GLU A 31 8.596 12.312 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.702 12.980 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.015 14.131 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.650 13.235 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.555 11.878 1.998 1.00 0.00 H new ATOM 425 N PRO A 32 7.331 10.173 5.038 1.00 0.00 N ATOM 426 CA PRO A 32 6.819 8.806 4.907 1.00 0.00 C ATOM 427 C PRO A 32 5.899 8.644 3.701 1.00 0.00 C ATOM 428 O PRO A 32 5.148 9.556 3.355 1.00 0.00 O ATOM 429 CB PRO A 32 6.039 8.593 6.207 1.00 0.00 C ATOM 430 CG PRO A 32 5.644 9.963 6.641 1.00 0.00 C ATOM 431 CD PRO A 32 6.758 10.873 6.200 1.00 0.00 C ATOM 0 HA PRO A 32 7.621 8.084 4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.165 7.962 6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.653 8.101 6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.697 10.258 6.189 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.509 10.007 7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.386 11.862 5.930 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.497 11.014 6.988 1.00 0.00 H new ATOM 439 N VAL A 33 5.964 7.479 3.065 1.00 0.00 N ATOM 440 CA VAL A 33 5.136 7.198 1.899 1.00 0.00 C ATOM 441 C VAL A 33 4.197 6.026 2.161 1.00 0.00 C ATOM 442 O VAL A 33 4.181 5.462 3.255 1.00 0.00 O ATOM 443 CB VAL A 33 5.998 6.883 0.661 1.00 0.00 C ATOM 444 CG1 VAL A 33 6.900 8.061 0.325 1.00 0.00 C ATOM 445 CG2 VAL A 33 6.817 5.622 0.890 1.00 0.00 C ATOM 0 H VAL A 33 6.582 6.715 3.338 1.00 0.00 H new ATOM 0 HA VAL A 33 4.548 8.095 1.705 1.00 0.00 H new ATOM 0 HB VAL A 33 5.336 6.710 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.501 7.820 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.289 8.939 0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.557 8.269 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.420 5.414 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.471 5.764 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.148 4.783 1.078 1.00 0.00 H new ATOM 455 N VAL A 34 3.414 5.664 1.150 1.00 0.00 N ATOM 456 CA VAL A 34 2.472 4.557 1.270 1.00 0.00 C ATOM 457 C VAL A 34 3.182 3.275 1.690 1.00 0.00 C ATOM 458 O VAL A 34 2.749 2.590 2.616 1.00 0.00 O ATOM 459 CB VAL A 34 1.727 4.309 -0.055 1.00 0.00 C ATOM 460 CG1 VAL A 34 1.034 2.955 -0.032 1.00 0.00 C ATOM 461 CG2 VAL A 34 0.727 5.424 -0.320 1.00 0.00 C ATOM 0 H VAL A 34 3.413 6.121 0.238 1.00 0.00 H new ATOM 0 HA VAL A 34 1.750 4.836 2.037 1.00 0.00 H new ATOM 0 HB VAL A 34 2.455 4.304 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.513 2.797 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.776 2.169 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.316 2.928 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.210 5.233 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.001 5.463 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.253 6.377 -0.382 1.00 0.00 H new ATOM 471 N GLN A 35 4.273 2.957 1.002 1.00 0.00 N ATOM 472 CA GLN A 35 5.043 1.755 1.304 1.00 0.00 C ATOM 473 C GLN A 35 5.071 1.490 2.806 1.00 0.00 C ATOM 474 O GLN A 35 4.833 0.368 3.252 1.00 0.00 O ATOM 475 CB GLN A 35 6.470 1.891 0.771 1.00 0.00 C ATOM 476 CG GLN A 35 7.240 0.580 0.752 1.00 0.00 C ATOM 477 CD GLN A 35 6.494 -0.523 0.028 1.00 0.00 C ATOM 478 OE1 GLN A 35 6.724 -0.770 -1.157 1.00 0.00 O ATOM 479 NE2 GLN A 35 5.595 -1.195 0.738 1.00 0.00 N ATOM 0 H GLN A 35 4.644 3.514 0.232 1.00 0.00 H new ATOM 0 HA GLN A 35 4.559 0.910 0.814 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.434 2.296 -0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.011 2.612 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.206 0.737 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.441 0.266 1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.437 -0.957 1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.063 -1.949 0.304 1.00 0.00 H new ATOM 488 N ASP A 36 5.363 2.530 3.579 1.00 0.00 N ATOM 489 CA ASP A 36 5.422 2.409 5.032 1.00 0.00 C ATOM 490 C ASP A 36 4.050 2.066 5.604 1.00 0.00 C ATOM 491 O ASP A 36 3.926 1.199 6.470 1.00 0.00 O ATOM 492 CB ASP A 36 5.937 3.709 5.652 1.00 0.00 C ATOM 493 CG ASP A 36 6.087 3.612 7.158 1.00 0.00 C ATOM 494 OD1 ASP A 36 5.075 3.788 7.867 1.00 0.00 O ATOM 495 OD2 ASP A 36 7.217 3.361 7.626 1.00 0.00 O ATOM 0 H ASP A 36 5.562 3.466 3.225 1.00 0.00 H new ATOM 0 HA ASP A 36 6.111 1.601 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.900 3.963 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.251 4.521 5.410 1.00 0.00 H new ATOM 500 N LEU A 37 3.023 2.752 5.116 1.00 0.00 N ATOM 501 CA LEU A 37 1.659 2.522 5.580 1.00 0.00 C ATOM 502 C LEU A 37 1.269 1.056 5.416 1.00 0.00 C ATOM 503 O LEU A 37 0.743 0.437 6.341 1.00 0.00 O ATOM 504 CB LEU A 37 0.680 3.410 4.810 1.00 0.00 C ATOM 505 CG LEU A 37 -0.746 2.877 4.674 1.00 0.00 C ATOM 506 CD1 LEU A 37 -1.394 2.731 6.042 1.00 0.00 C ATOM 507 CD2 LEU A 37 -1.575 3.791 3.784 1.00 0.00 C ATOM 0 H LEU A 37 3.108 3.472 4.399 1.00 0.00 H new ATOM 0 HA LEU A 37 1.614 2.776 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.638 4.382 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.081 3.576 3.810 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.702 1.892 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.409 2.350 5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.813 2.035 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.425 3.702 6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.587 3.396 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.611 4.789 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.122 3.844 2.794 1.00 0.00 H new ATOM 519 N ALA A 38 1.532 0.507 4.235 1.00 0.00 N ATOM 520 CA ALA A 38 1.213 -0.887 3.952 1.00 0.00 C ATOM 521 C ALA A 38 1.880 -1.818 4.959 1.00 0.00 C ATOM 522 O ALA A 38 1.279 -2.794 5.408 1.00 0.00 O ATOM 523 CB ALA A 38 1.635 -1.248 2.536 1.00 0.00 C ATOM 0 H ALA A 38 1.965 1.006 3.458 1.00 0.00 H new ATOM 0 HA ALA A 38 0.134 -1.012 4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.391 -2.292 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.108 -0.611 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.709 -1.100 2.428 1.00 0.00 H new ATOM 529 N GLN A 39 3.125 -1.510 5.308 1.00 0.00 N ATOM 530 CA GLN A 39 3.873 -2.322 6.261 1.00 0.00 C ATOM 531 C GLN A 39 3.272 -2.213 7.658 1.00 0.00 C ATOM 532 O GLN A 39 3.031 -3.222 8.322 1.00 0.00 O ATOM 533 CB GLN A 39 5.340 -1.890 6.289 1.00 0.00 C ATOM 534 CG GLN A 39 6.213 -2.637 5.294 1.00 0.00 C ATOM 535 CD GLN A 39 7.646 -2.783 5.770 1.00 0.00 C ATOM 536 OE1 GLN A 39 8.584 -2.375 5.085 1.00 0.00 O ATOM 537 NE2 GLN A 39 7.821 -3.367 6.949 1.00 0.00 N ATOM 0 H GLN A 39 3.636 -0.705 4.946 1.00 0.00 H new ATOM 0 HA GLN A 39 3.814 -3.362 5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.400 -0.822 6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.736 -2.042 7.293 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.790 -3.626 5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.203 -2.110 4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.014 -3.690 7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.762 -3.493 7.321 1.00 0.00 H new ATOM 546 N VAL A 40 3.031 -0.983 8.100 1.00 0.00 N ATOM 547 CA VAL A 40 2.457 -0.742 9.418 1.00 0.00 C ATOM 548 C VAL A 40 1.246 -1.636 9.662 1.00 0.00 C ATOM 549 O VAL A 40 1.027 -2.113 10.775 1.00 0.00 O ATOM 550 CB VAL A 40 2.037 0.730 9.588 1.00 0.00 C ATOM 551 CG1 VAL A 40 1.124 0.889 10.794 1.00 0.00 C ATOM 552 CG2 VAL A 40 3.262 1.622 9.715 1.00 0.00 C ATOM 0 H VAL A 40 3.225 -0.137 7.564 1.00 0.00 H new ATOM 0 HA VAL A 40 3.232 -0.977 10.148 1.00 0.00 H new ATOM 0 HB VAL A 40 1.483 1.037 8.701 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.838 1.936 10.898 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.230 0.280 10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.649 0.565 11.693 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.947 2.659 9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.845 1.318 10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.874 1.530 8.818 1.00 0.00 H new ATOM 562 N VAL A 41 0.462 -1.860 8.612 1.00 0.00 N ATOM 563 CA VAL A 41 -0.727 -2.698 8.711 1.00 0.00 C ATOM 564 C VAL A 41 -0.352 -4.165 8.888 1.00 0.00 C ATOM 565 O VAL A 41 -0.812 -4.825 9.819 1.00 0.00 O ATOM 566 CB VAL A 41 -1.620 -2.555 7.464 1.00 0.00 C ATOM 567 CG1 VAL A 41 -2.730 -3.596 7.479 1.00 0.00 C ATOM 568 CG2 VAL A 41 -2.197 -1.150 7.381 1.00 0.00 C ATOM 0 H VAL A 41 0.629 -1.473 7.683 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.281 -2.359 9.586 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.008 -2.725 6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.350 -3.479 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.292 -4.594 7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.343 -3.461 8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.825 -1.066 6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.795 -0.949 8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.384 -0.426 7.319 1.00 0.00 H new ATOM 578 N GLU A 42 0.487 -4.669 7.988 1.00 0.00 N ATOM 579 CA GLU A 42 0.924 -6.059 8.045 1.00 0.00 C ATOM 580 C GLU A 42 1.732 -6.323 9.312 1.00 0.00 C ATOM 581 O GLU A 42 1.898 -7.470 9.726 1.00 0.00 O ATOM 582 CB GLU A 42 1.761 -6.405 6.812 1.00 0.00 C ATOM 583 CG GLU A 42 2.281 -7.833 6.810 1.00 0.00 C ATOM 584 CD GLU A 42 3.267 -8.093 5.688 1.00 0.00 C ATOM 585 OE1 GLU A 42 4.164 -7.249 5.480 1.00 0.00 O ATOM 586 OE2 GLU A 42 3.141 -9.139 5.018 1.00 0.00 O ATOM 0 H GLU A 42 0.877 -4.136 7.211 1.00 0.00 H new ATOM 0 HA GLU A 42 0.037 -6.692 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.158 -6.246 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.606 -5.719 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.761 -8.042 7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.441 -8.521 6.717 1.00 0.00 H new ATOM 593 N GLU A 43 2.232 -5.254 9.922 1.00 0.00 N ATOM 594 CA GLU A 43 3.024 -5.371 11.141 1.00 0.00 C ATOM 595 C GLU A 43 2.149 -5.183 12.378 1.00 0.00 C ATOM 596 O GLU A 43 2.365 -5.824 13.407 1.00 0.00 O ATOM 597 CB GLU A 43 4.155 -4.340 11.142 1.00 0.00 C ATOM 598 CG GLU A 43 5.242 -4.629 10.121 1.00 0.00 C ATOM 599 CD GLU A 43 6.093 -5.826 10.498 1.00 0.00 C ATOM 600 OE1 GLU A 43 5.669 -6.967 10.221 1.00 0.00 O ATOM 601 OE2 GLU A 43 7.184 -5.621 11.069 1.00 0.00 O ATOM 0 H GLU A 43 2.103 -4.297 9.593 1.00 0.00 H new ATOM 0 HA GLU A 43 3.454 -6.372 11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.736 -3.353 10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.602 -4.304 12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.784 -4.806 9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.881 -3.752 10.018 1.00 0.00 H new ATOM 608 N VAL A 44 1.162 -4.300 12.269 1.00 0.00 N ATOM 609 CA VAL A 44 0.254 -4.028 13.377 1.00 0.00 C ATOM 610 C VAL A 44 -0.968 -4.937 13.322 1.00 0.00 C ATOM 611 O VAL A 44 -1.221 -5.711 14.246 1.00 0.00 O ATOM 612 CB VAL A 44 -0.211 -2.560 13.374 1.00 0.00 C ATOM 613 CG1 VAL A 44 -1.304 -2.344 14.409 1.00 0.00 C ATOM 614 CG2 VAL A 44 0.965 -1.628 13.626 1.00 0.00 C ATOM 0 H VAL A 44 0.971 -3.761 11.425 1.00 0.00 H new ATOM 0 HA VAL A 44 0.808 -4.224 14.295 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.623 -2.330 12.392 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.620 -1.301 14.392 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.155 -2.985 14.178 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.921 -2.591 15.399 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.618 -0.595 13.620 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.409 -1.856 14.595 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.711 -1.764 12.843 1.00 0.00 H new ATOM 624 N ILE A 45 -1.723 -4.839 12.233 1.00 0.00 N ATOM 625 CA ILE A 45 -2.919 -5.654 12.057 1.00 0.00 C ATOM 626 C ILE A 45 -2.561 -7.127 11.895 1.00 0.00 C ATOM 627 O ILE A 45 -3.065 -7.983 12.622 1.00 0.00 O ATOM 628 CB ILE A 45 -3.735 -5.199 10.832 1.00 0.00 C ATOM 629 CG1 ILE A 45 -3.814 -3.671 10.784 1.00 0.00 C ATOM 630 CG2 ILE A 45 -5.129 -5.806 10.870 1.00 0.00 C ATOM 631 CD1 ILE A 45 -4.868 -3.151 9.832 1.00 0.00 C ATOM 0 H ILE A 45 -1.528 -4.204 11.459 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.523 -5.525 12.955 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.233 -5.547 9.929 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.023 -3.294 11.785 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.842 -3.274 10.490 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.694 -5.475 9.998 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.053 -6.893 10.862 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.641 -5.485 11.777 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.868 -2.061 9.849 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.649 -3.498 8.822 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.848 -3.519 10.138 1.00 0.00 H new ATOM 643 N GLY A 46 -1.684 -7.417 10.938 1.00 0.00 N ATOM 644 CA GLY A 46 -1.272 -8.788 10.700 1.00 0.00 C ATOM 645 C GLY A 46 -1.666 -9.281 9.322 1.00 0.00 C ATOM 646 O GLY A 46 -1.578 -10.474 9.032 1.00 0.00 O ATOM 0 H GLY A 46 -1.252 -6.727 10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.191 -8.864 10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.719 -9.435 11.455 1.00 0.00 H new ATOM 650 N VAL A 47 -2.105 -8.360 8.469 1.00 0.00 N ATOM 651 CA VAL A 47 -2.515 -8.707 7.113 1.00 0.00 C ATOM 652 C VAL A 47 -1.451 -8.306 6.098 1.00 0.00 C ATOM 653 O VAL A 47 -0.981 -7.169 6.071 1.00 0.00 O ATOM 654 CB VAL A 47 -3.847 -8.031 6.740 1.00 0.00 C ATOM 655 CG1 VAL A 47 -4.211 -8.330 5.293 1.00 0.00 C ATOM 656 CG2 VAL A 47 -4.955 -8.481 7.680 1.00 0.00 C ATOM 0 H VAL A 47 -2.186 -7.368 8.693 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.646 -9.789 7.088 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.728 -6.953 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.155 -7.844 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.427 -7.954 4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.311 -9.407 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.889 -7.993 7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.075 -9.562 7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.696 -8.211 8.704 1.00 0.00 H new ATOM 666 N PRO A 48 -1.063 -9.261 5.240 1.00 0.00 N ATOM 667 CA PRO A 48 -0.051 -9.031 4.205 1.00 0.00 C ATOM 668 C PRO A 48 -0.551 -8.106 3.100 1.00 0.00 C ATOM 669 O PRO A 48 -1.753 -8.014 2.853 1.00 0.00 O ATOM 670 CB PRO A 48 0.214 -10.433 3.649 1.00 0.00 C ATOM 671 CG PRO A 48 -1.038 -11.192 3.926 1.00 0.00 C ATOM 672 CD PRO A 48 -1.581 -10.639 5.214 1.00 0.00 C ATOM 0 HA PRO A 48 0.837 -8.542 4.606 1.00 0.00 H new ATOM 0 HB2 PRO A 48 0.430 -10.401 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.073 -10.896 4.134 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.756 -11.069 3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.836 -12.259 4.014 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.671 -10.659 5.232 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.238 -11.214 6.074 1.00 0.00 H new ATOM 680 N GLN A 49 0.379 -7.424 2.440 1.00 0.00 N ATOM 681 CA GLN A 49 0.031 -6.506 1.362 1.00 0.00 C ATOM 682 C GLN A 49 -0.690 -7.238 0.235 1.00 0.00 C ATOM 683 O GLN A 49 -1.225 -6.614 -0.681 1.00 0.00 O ATOM 684 CB GLN A 49 1.288 -5.822 0.820 1.00 0.00 C ATOM 685 CG GLN A 49 2.126 -5.150 1.895 1.00 0.00 C ATOM 686 CD GLN A 49 3.392 -4.526 1.342 1.00 0.00 C ATOM 687 OE1 GLN A 49 3.589 -4.464 0.128 1.00 0.00 O ATOM 688 NE2 GLN A 49 4.260 -4.059 2.233 1.00 0.00 N ATOM 0 H GLN A 49 1.379 -7.490 2.633 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.640 -5.749 1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.900 -6.561 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.996 -5.077 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.531 -4.380 2.386 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.390 -5.884 2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.056 -4.131 3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.130 -3.628 1.920 1.00 0.00 H new ATOM 697 N SER A 50 -0.699 -8.565 0.309 1.00 0.00 N ATOM 698 CA SER A 50 -1.351 -9.383 -0.708 1.00 0.00 C ATOM 699 C SER A 50 -2.779 -9.727 -0.294 1.00 0.00 C ATOM 700 O SER A 50 -3.560 -10.248 -1.091 1.00 0.00 O ATOM 701 CB SER A 50 -0.554 -10.666 -0.948 1.00 0.00 C ATOM 702 OG SER A 50 0.783 -10.374 -1.318 1.00 0.00 O ATOM 0 H SER A 50 -0.263 -9.097 1.062 1.00 0.00 H new ATOM 0 HA SER A 50 -1.388 -8.808 -1.634 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.560 -11.276 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.032 -11.253 -1.732 1.00 0.00 H new ATOM 0 HG SER A 50 1.272 -11.211 -1.464 1.00 0.00 H new ATOM 708 N PHE A 51 -3.113 -9.433 0.958 1.00 0.00 N ATOM 709 CA PHE A 51 -4.446 -9.712 1.479 1.00 0.00 C ATOM 710 C PHE A 51 -5.183 -8.417 1.809 1.00 0.00 C ATOM 711 O PHE A 51 -6.404 -8.336 1.676 1.00 0.00 O ATOM 712 CB PHE A 51 -4.354 -10.592 2.728 1.00 0.00 C ATOM 713 CG PHE A 51 -4.074 -12.036 2.425 1.00 0.00 C ATOM 714 CD1 PHE A 51 -2.978 -12.396 1.658 1.00 0.00 C ATOM 715 CD2 PHE A 51 -4.907 -13.033 2.906 1.00 0.00 C ATOM 716 CE1 PHE A 51 -2.717 -13.724 1.377 1.00 0.00 C ATOM 717 CE2 PHE A 51 -4.651 -14.363 2.629 1.00 0.00 C ATOM 718 CZ PHE A 51 -3.555 -14.709 1.863 1.00 0.00 C ATOM 0 H PHE A 51 -2.479 -9.002 1.631 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.006 -10.242 0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.568 -10.206 3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.289 -10.520 3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.320 -11.630 1.275 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.766 -12.768 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.859 -13.991 0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.307 -15.131 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.354 -15.747 1.644 1.00 0.00 H new ATOM 728 N GLN A 52 -4.432 -7.409 2.239 1.00 0.00 N ATOM 729 CA GLN A 52 -5.014 -6.119 2.589 1.00 0.00 C ATOM 730 C GLN A 52 -5.265 -5.278 1.341 1.00 0.00 C ATOM 731 O GLN A 52 -4.531 -5.374 0.357 1.00 0.00 O ATOM 732 CB GLN A 52 -4.094 -5.364 3.550 1.00 0.00 C ATOM 733 CG GLN A 52 -2.731 -5.040 2.960 1.00 0.00 C ATOM 734 CD GLN A 52 -2.124 -3.782 3.548 1.00 0.00 C ATOM 735 OE1 GLN A 52 -2.678 -2.690 3.414 1.00 0.00 O ATOM 736 NE2 GLN A 52 -0.979 -3.928 4.204 1.00 0.00 N ATOM 0 H GLN A 52 -3.420 -7.460 2.353 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.970 -6.302 3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.580 -4.436 3.851 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.958 -5.960 4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.056 -5.879 3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.825 -4.923 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.555 -4.852 4.291 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.523 -3.116 4.621 1.00 0.00 H new ATOM 745 N LYS A 53 -6.306 -4.455 1.387 1.00 0.00 N ATOM 746 CA LYS A 53 -6.654 -3.596 0.261 1.00 0.00 C ATOM 747 C LYS A 53 -7.010 -2.191 0.738 1.00 0.00 C ATOM 748 O LYS A 53 -8.070 -1.975 1.328 1.00 0.00 O ATOM 749 CB LYS A 53 -7.827 -4.194 -0.519 1.00 0.00 C ATOM 750 CG LYS A 53 -8.016 -3.582 -1.897 1.00 0.00 C ATOM 751 CD LYS A 53 -9.476 -3.592 -2.316 1.00 0.00 C ATOM 752 CE LYS A 53 -9.623 -3.742 -3.822 1.00 0.00 C ATOM 753 NZ LYS A 53 -9.225 -2.503 -4.545 1.00 0.00 N ATOM 0 H LYS A 53 -6.925 -4.364 2.193 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.786 -3.529 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.672 -5.268 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.742 -4.060 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.644 -2.557 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.424 -4.135 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.994 -4.410 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.955 -2.667 -1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.010 -4.575 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.657 -3.987 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.785 -2.415 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.397 -1.676 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.214 -2.551 -4.786 1.00 0.00 H new ATOM 767 N LEU A 54 -6.121 -1.240 0.478 1.00 0.00 N ATOM 768 CA LEU A 54 -6.342 0.145 0.879 1.00 0.00 C ATOM 769 C LEU A 54 -7.314 0.838 -0.070 1.00 0.00 C ATOM 770 O LEU A 54 -7.288 0.606 -1.279 1.00 0.00 O ATOM 771 CB LEU A 54 -5.015 0.905 0.912 1.00 0.00 C ATOM 772 CG LEU A 54 -4.277 0.908 2.252 1.00 0.00 C ATOM 773 CD1 LEU A 54 -5.221 1.292 3.380 1.00 0.00 C ATOM 774 CD2 LEU A 54 -3.649 -0.452 2.518 1.00 0.00 C ATOM 0 H LEU A 54 -5.240 -1.402 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.778 0.143 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.355 0.477 0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.204 1.938 0.621 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.480 1.650 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.679 1.289 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.622 2.288 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.040 0.574 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.128 -0.431 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.428 -1.214 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.940 -0.687 1.724 1.00 0.00 H new ATOM 786 N ILE A 55 -8.169 1.690 0.485 1.00 0.00 N ATOM 787 CA ILE A 55 -9.147 2.419 -0.312 1.00 0.00 C ATOM 788 C ILE A 55 -9.499 3.754 0.335 1.00 0.00 C ATOM 789 O ILE A 55 -10.027 3.797 1.446 1.00 0.00 O ATOM 790 CB ILE A 55 -10.437 1.601 -0.508 1.00 0.00 C ATOM 791 CG1 ILE A 55 -10.098 0.157 -0.887 1.00 0.00 C ATOM 792 CG2 ILE A 55 -11.314 2.241 -1.573 1.00 0.00 C ATOM 793 CD1 ILE A 55 -11.316 -0.720 -1.074 1.00 0.00 C ATOM 0 H ILE A 55 -8.204 1.892 1.484 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.689 2.599 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.989 1.591 0.432 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.517 0.159 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.465 -0.275 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -12.222 1.651 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.579 3.253 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.771 2.278 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.001 -1.729 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.887 -0.752 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.939 -0.312 -1.870 1.00 0.00 H new ATOM 805 N PHE A 56 -9.205 4.843 -0.368 1.00 0.00 N ATOM 806 CA PHE A 56 -9.491 6.180 0.137 1.00 0.00 C ATOM 807 C PHE A 56 -10.208 7.018 -0.917 1.00 0.00 C ATOM 808 O PHE A 56 -9.669 7.279 -1.992 1.00 0.00 O ATOM 809 CB PHE A 56 -8.196 6.875 0.563 1.00 0.00 C ATOM 810 CG PHE A 56 -8.422 8.115 1.380 1.00 0.00 C ATOM 811 CD1 PHE A 56 -8.683 9.329 0.764 1.00 0.00 C ATOM 812 CD2 PHE A 56 -8.373 8.068 2.764 1.00 0.00 C ATOM 813 CE1 PHE A 56 -8.891 10.472 1.513 1.00 0.00 C ATOM 814 CE2 PHE A 56 -8.581 9.207 3.518 1.00 0.00 C ATOM 815 CZ PHE A 56 -8.839 10.411 2.892 1.00 0.00 C ATOM 0 H PHE A 56 -8.769 4.825 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.145 6.082 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.590 6.175 1.139 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.623 7.135 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.724 9.382 -0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.170 7.130 3.259 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.094 11.412 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.542 9.156 4.596 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.000 11.303 3.480 1.00 0.00 H new ATOM 825 N LYS A 57 -11.429 7.437 -0.601 1.00 0.00 N ATOM 826 CA LYS A 57 -12.223 8.246 -1.518 1.00 0.00 C ATOM 827 C LYS A 57 -12.613 7.442 -2.754 1.00 0.00 C ATOM 828 O LYS A 57 -12.758 7.992 -3.845 1.00 0.00 O ATOM 829 CB LYS A 57 -11.442 9.494 -1.935 1.00 0.00 C ATOM 830 CG LYS A 57 -12.329 10.676 -2.288 1.00 0.00 C ATOM 831 CD LYS A 57 -12.790 11.418 -1.045 1.00 0.00 C ATOM 832 CE LYS A 57 -11.776 12.465 -0.611 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.812 13.668 -1.487 1.00 0.00 N ATOM 0 H LYS A 57 -11.891 7.229 0.285 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.133 8.549 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.773 9.782 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.816 9.251 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.784 11.359 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.197 10.327 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.749 11.898 -1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.950 10.707 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.976 12.760 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.776 12.032 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.234 14.422 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.434 13.426 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.794 13.997 -1.584 1.00 0.00 H new ATOM 847 N GLY A 58 -12.784 6.135 -2.575 1.00 0.00 N ATOM 848 CA GLY A 58 -13.158 5.277 -3.684 1.00 0.00 C ATOM 849 C GLY A 58 -11.983 4.944 -4.581 1.00 0.00 C ATOM 850 O GLY A 58 -12.164 4.498 -5.714 1.00 0.00 O ATOM 0 H GLY A 58 -12.670 5.656 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.588 4.354 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.933 5.767 -4.273 1.00 0.00 H new ATOM 854 N LYS A 59 -10.774 5.162 -4.075 1.00 0.00 N ATOM 855 CA LYS A 59 -9.563 4.883 -4.838 1.00 0.00 C ATOM 856 C LYS A 59 -8.710 3.829 -4.139 1.00 0.00 C ATOM 857 O LYS A 59 -8.293 4.013 -2.996 1.00 0.00 O ATOM 858 CB LYS A 59 -8.750 6.165 -5.031 1.00 0.00 C ATOM 859 CG LYS A 59 -7.253 5.928 -5.128 1.00 0.00 C ATOM 860 CD LYS A 59 -6.514 7.188 -5.545 1.00 0.00 C ATOM 861 CE LYS A 59 -5.219 6.861 -6.272 1.00 0.00 C ATOM 862 NZ LYS A 59 -5.469 6.363 -7.653 1.00 0.00 N ATOM 0 H LYS A 59 -10.607 5.531 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.860 4.497 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.089 6.667 -5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.949 6.840 -4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.875 5.586 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.055 5.134 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.154 7.789 -6.192 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.295 7.791 -4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.592 7.751 -6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.666 6.109 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.580 6.376 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.834 5.390 -7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.168 6.974 -8.121 1.00 0.00 H new ATOM 876 N SER A 60 -8.455 2.725 -4.834 1.00 0.00 N ATOM 877 CA SER A 60 -7.653 1.640 -4.278 1.00 0.00 C ATOM 878 C SER A 60 -6.171 2.000 -4.288 1.00 0.00 C ATOM 879 O SER A 60 -5.492 1.858 -5.306 1.00 0.00 O ATOM 880 CB SER A 60 -7.882 0.352 -5.071 1.00 0.00 C ATOM 881 OG SER A 60 -9.242 0.218 -5.445 1.00 0.00 O ATOM 0 H SER A 60 -8.792 2.558 -5.782 1.00 0.00 H new ATOM 0 HA SER A 60 -7.964 1.483 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.255 0.354 -5.963 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.580 -0.507 -4.471 1.00 0.00 H new ATOM 0 HG SER A 60 -9.315 -0.408 -6.195 1.00 0.00 H new ATOM 887 N LEU A 61 -5.675 2.467 -3.148 1.00 0.00 N ATOM 888 CA LEU A 61 -4.272 2.848 -3.023 1.00 0.00 C ATOM 889 C LEU A 61 -3.357 1.689 -3.404 1.00 0.00 C ATOM 890 O LEU A 61 -3.128 0.777 -2.608 1.00 0.00 O ATOM 891 CB LEU A 61 -3.972 3.301 -1.593 1.00 0.00 C ATOM 892 CG LEU A 61 -5.045 4.158 -0.921 1.00 0.00 C ATOM 893 CD1 LEU A 61 -4.568 4.641 0.440 1.00 0.00 C ATOM 894 CD2 LEU A 61 -5.417 5.338 -1.807 1.00 0.00 C ATOM 0 H LEU A 61 -6.223 2.591 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.083 3.675 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.806 2.415 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.038 3.863 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.934 3.544 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.345 5.249 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.352 3.782 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.664 5.238 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.182 5.937 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.534 5.952 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.802 4.971 -2.759 1.00 0.00 H new ATOM 906 N LYS A 62 -2.834 1.731 -4.625 1.00 0.00 N ATOM 907 CA LYS A 62 -1.941 0.686 -5.111 1.00 0.00 C ATOM 908 C LYS A 62 -0.483 1.119 -4.994 1.00 0.00 C ATOM 909 O LYS A 62 0.289 0.530 -4.239 1.00 0.00 O ATOM 910 CB LYS A 62 -2.267 0.345 -6.567 1.00 0.00 C ATOM 911 CG LYS A 62 -1.558 -0.899 -7.074 1.00 0.00 C ATOM 912 CD LYS A 62 -2.373 -2.153 -6.808 1.00 0.00 C ATOM 913 CE LYS A 62 -3.643 -2.180 -7.645 1.00 0.00 C ATOM 914 NZ LYS A 62 -4.095 -3.571 -7.922 1.00 0.00 N ATOM 0 H LYS A 62 -3.013 2.478 -5.296 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.089 -0.200 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.343 0.205 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.996 1.191 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.375 -0.804 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.585 -0.987 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.771 -3.034 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.632 -2.203 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.433 -1.638 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.468 -1.661 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.963 -3.546 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.352 -4.081 -8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.287 -4.059 -7.024 1.00 0.00 H new ATOM 928 N GLU A 63 -0.115 2.153 -5.744 1.00 0.00 N ATOM 929 CA GLU A 63 1.251 2.664 -5.722 1.00 0.00 C ATOM 930 C GLU A 63 1.742 2.843 -4.288 1.00 0.00 C ATOM 931 O GLU A 63 1.061 3.445 -3.459 1.00 0.00 O ATOM 932 CB GLU A 63 1.332 3.997 -6.470 1.00 0.00 C ATOM 933 CG GLU A 63 0.275 5.001 -6.042 1.00 0.00 C ATOM 934 CD GLU A 63 0.126 6.146 -7.025 1.00 0.00 C ATOM 935 OE1 GLU A 63 0.234 5.898 -8.245 1.00 0.00 O ATOM 936 OE2 GLU A 63 -0.098 7.289 -6.576 1.00 0.00 O ATOM 0 H GLU A 63 -0.743 2.653 -6.374 1.00 0.00 H new ATOM 0 HA GLU A 63 1.892 1.936 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.319 4.432 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.232 3.811 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.683 4.492 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.534 5.400 -5.061 1.00 0.00 H new ATOM 943 N MET A 64 2.928 2.314 -4.005 1.00 0.00 N ATOM 944 CA MET A 64 3.511 2.415 -2.672 1.00 0.00 C ATOM 945 C MET A 64 4.577 3.505 -2.627 1.00 0.00 C ATOM 946 O MET A 64 4.695 4.228 -1.638 1.00 0.00 O ATOM 947 CB MET A 64 4.117 1.074 -2.255 1.00 0.00 C ATOM 948 CG MET A 64 3.137 -0.085 -2.327 1.00 0.00 C ATOM 949 SD MET A 64 2.232 -0.327 -0.787 1.00 0.00 S ATOM 950 CE MET A 64 0.580 0.155 -1.285 1.00 0.00 C ATOM 0 H MET A 64 3.504 1.811 -4.680 1.00 0.00 H new ATOM 0 HA MET A 64 2.717 2.679 -1.973 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.972 0.856 -2.895 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.495 1.157 -1.236 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.428 0.093 -3.136 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.678 -0.999 -2.573 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.013 0.471 -0.409 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.640 0.980 -1.995 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.080 -0.692 -1.755 1.00 0.00 H new ATOM 960 N GLU A 65 5.350 3.616 -3.702 1.00 0.00 N ATOM 961 CA GLU A 65 6.407 4.617 -3.783 1.00 0.00 C ATOM 962 C GLU A 65 5.824 6.027 -3.751 1.00 0.00 C ATOM 963 O GLU A 65 6.555 7.012 -3.633 1.00 0.00 O ATOM 964 CB GLU A 65 7.229 4.422 -5.058 1.00 0.00 C ATOM 965 CG GLU A 65 7.934 3.078 -5.129 1.00 0.00 C ATOM 966 CD GLU A 65 9.233 3.058 -4.348 1.00 0.00 C ATOM 967 OE1 GLU A 65 9.824 4.140 -4.150 1.00 0.00 O ATOM 968 OE2 GLU A 65 9.659 1.959 -3.933 1.00 0.00 O ATOM 0 H GLU A 65 5.264 3.025 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 65 7.058 4.491 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.573 4.524 -5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.972 5.216 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.271 2.303 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.138 2.834 -6.172 1.00 0.00 H new ATOM 975 N THR A 66 4.502 6.117 -3.857 1.00 0.00 N ATOM 976 CA THR A 66 3.820 7.405 -3.842 1.00 0.00 C ATOM 977 C THR A 66 3.651 7.922 -2.418 1.00 0.00 C ATOM 978 O THR A 66 3.304 7.178 -1.500 1.00 0.00 O ATOM 979 CB THR A 66 2.436 7.316 -4.512 1.00 0.00 C ATOM 980 OG1 THR A 66 2.577 6.901 -5.875 1.00 0.00 O ATOM 981 CG2 THR A 66 1.720 8.657 -4.455 1.00 0.00 C ATOM 0 H THR A 66 3.882 5.313 -3.954 1.00 0.00 H new ATOM 0 HA THR A 66 4.444 8.099 -4.405 1.00 0.00 H new ATOM 0 HB THR A 66 1.841 6.581 -3.970 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.254 7.611 -6.468 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.745 8.570 -4.934 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.588 8.955 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.314 9.409 -4.975 1.00 0.00 H new ATOM 989 N PRO A 67 3.901 9.225 -2.226 1.00 0.00 N ATOM 990 CA PRO A 67 3.781 9.870 -0.915 1.00 0.00 C ATOM 991 C PRO A 67 2.332 9.980 -0.453 1.00 0.00 C ATOM 992 O PRO A 67 1.455 10.385 -1.217 1.00 0.00 O ATOM 993 CB PRO A 67 4.374 11.262 -1.149 1.00 0.00 C ATOM 994 CG PRO A 67 4.192 11.511 -2.607 1.00 0.00 C ATOM 995 CD PRO A 67 4.319 10.171 -3.275 1.00 0.00 C ATOM 0 HA PRO A 67 4.286 9.302 -0.134 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.862 12.016 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.427 11.296 -0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.218 11.956 -2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.944 12.206 -2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.682 10.100 -4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.341 9.981 -3.603 1.00 0.00 H new ATOM 1003 N LEU A 68 2.087 9.616 0.801 1.00 0.00 N ATOM 1004 CA LEU A 68 0.743 9.674 1.365 1.00 0.00 C ATOM 1005 C LEU A 68 0.144 11.068 1.205 1.00 0.00 C ATOM 1006 O LEU A 68 -1.075 11.230 1.165 1.00 0.00 O ATOM 1007 CB LEU A 68 0.773 9.287 2.845 1.00 0.00 C ATOM 1008 CG LEU A 68 1.201 7.852 3.154 1.00 0.00 C ATOM 1009 CD1 LEU A 68 1.781 7.759 4.557 1.00 0.00 C ATOM 1010 CD2 LEU A 68 0.026 6.899 2.996 1.00 0.00 C ATOM 0 H LEU A 68 2.801 9.278 1.446 1.00 0.00 H new ATOM 0 HA LEU A 68 0.117 8.965 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.449 9.966 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.221 9.446 3.262 1.00 0.00 H new ATOM 0 HG LEU A 68 1.975 7.563 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.080 6.731 4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.650 8.412 4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.029 8.068 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.349 5.882 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.770 7.186 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.344 6.945 1.972 1.00 0.00 H new ATOM 1022 N SER A 69 1.011 12.072 1.111 1.00 0.00 N ATOM 1023 CA SER A 69 0.568 13.452 0.956 1.00 0.00 C ATOM 1024 C SER A 69 -0.081 13.665 -0.408 1.00 0.00 C ATOM 1025 O SER A 69 -1.068 14.389 -0.532 1.00 0.00 O ATOM 1026 CB SER A 69 1.748 14.411 1.127 1.00 0.00 C ATOM 1027 OG SER A 69 1.877 14.826 2.476 1.00 0.00 O ATOM 0 H SER A 69 2.024 11.955 1.140 1.00 0.00 H new ATOM 0 HA SER A 69 -0.174 13.658 1.728 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.667 13.922 0.804 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.608 15.282 0.487 1.00 0.00 H new ATOM 0 HG SER A 69 2.639 15.437 2.559 1.00 0.00 H new ATOM 1033 N ALA A 70 0.481 13.027 -1.430 1.00 0.00 N ATOM 1034 CA ALA A 70 -0.043 13.144 -2.785 1.00 0.00 C ATOM 1035 C ALA A 70 -1.455 12.576 -2.878 1.00 0.00 C ATOM 1036 O ALA A 70 -2.338 13.178 -3.491 1.00 0.00 O ATOM 1037 CB ALA A 70 0.878 12.439 -3.769 1.00 0.00 C ATOM 0 H ALA A 70 1.299 12.424 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.088 14.203 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.475 12.534 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.868 12.893 -3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.952 11.384 -3.506 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.661 11.414 -2.268 1.00 0.00 N ATOM 1044 CA LEU A 71 -2.967 10.764 -2.282 1.00 0.00 C ATOM 1045 C LEU A 71 -3.989 11.576 -1.493 1.00 0.00 C ATOM 1046 O LEU A 71 -5.195 11.380 -1.634 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.862 9.353 -1.702 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.787 8.454 -2.313 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -1.450 7.308 -1.371 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -2.241 7.920 -3.663 1.00 0.00 C ATOM 0 H LEU A 71 -0.941 10.903 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.303 10.701 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.673 9.435 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.828 8.861 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.887 9.050 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.683 6.679 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.080 7.709 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.345 6.713 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.463 7.282 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.156 7.341 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.430 8.754 -4.339 1.00 0.00 H new ATOM 1062 N GLY A 72 -3.497 12.491 -0.663 1.00 0.00 N ATOM 1063 CA GLY A 72 -4.381 13.321 0.134 1.00 0.00 C ATOM 1064 C GLY A 72 -4.433 12.884 1.585 1.00 0.00 C ATOM 1065 O GLY A 72 -5.097 13.517 2.407 1.00 0.00 O ATOM 0 H GLY A 72 -2.502 12.672 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.047 14.357 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.385 13.288 -0.289 1.00 0.00 H new ATOM 1069 N ILE A 73 -3.735 11.799 1.900 1.00 0.00 N ATOM 1070 CA ILE A 73 -3.706 11.278 3.261 1.00 0.00 C ATOM 1071 C ILE A 73 -2.794 12.116 4.151 1.00 0.00 C ATOM 1072 O ILE A 73 -1.729 12.559 3.723 1.00 0.00 O ATOM 1073 CB ILE A 73 -3.231 9.813 3.294 1.00 0.00 C ATOM 1074 CG1 ILE A 73 -4.218 8.917 2.543 1.00 0.00 C ATOM 1075 CG2 ILE A 73 -3.066 9.342 4.731 1.00 0.00 C ATOM 1076 CD1 ILE A 73 -3.658 7.554 2.203 1.00 0.00 C ATOM 0 H ILE A 73 -3.182 11.263 1.231 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.727 11.329 3.640 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.262 9.749 2.798 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.116 8.791 3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.522 9.416 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.730 8.305 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.328 9.966 5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.021 9.417 5.250 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.412 6.973 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.777 7.670 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.381 7.035 3.121 1.00 0.00 H new ATOM 1088 N GLN A 74 -3.220 12.328 5.392 1.00 0.00 N ATOM 1089 CA GLN A 74 -2.441 13.113 6.343 1.00 0.00 C ATOM 1090 C GLN A 74 -2.785 12.727 7.778 1.00 0.00 C ATOM 1091 O GLN A 74 -3.872 12.218 8.051 1.00 0.00 O ATOM 1092 CB GLN A 74 -2.691 14.607 6.130 1.00 0.00 C ATOM 1093 CG GLN A 74 -1.493 15.479 6.469 1.00 0.00 C ATOM 1094 CD GLN A 74 -1.893 16.867 6.927 1.00 0.00 C ATOM 1095 OE1 GLN A 74 -2.495 17.034 7.988 1.00 0.00 O ATOM 1096 NE2 GLN A 74 -1.558 17.874 6.128 1.00 0.00 N ATOM 0 H GLN A 74 -4.099 11.968 5.762 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.386 12.901 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.970 14.776 5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.539 14.916 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.907 14.997 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.849 15.561 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.059 17.690 5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.800 18.831 6.385 1.00 0.00 H new ATOM 1105 N ASP A 75 -1.852 12.972 8.691 1.00 0.00 N ATOM 1106 CA ASP A 75 -2.056 12.651 10.099 1.00 0.00 C ATOM 1107 C ASP A 75 -3.435 13.107 10.566 1.00 0.00 C ATOM 1108 O ASP A 75 -3.720 14.303 10.617 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.972 13.305 10.956 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.108 14.814 11.010 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.943 15.463 9.956 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.381 15.346 12.107 1.00 0.00 O ATOM 0 H ASP A 75 -0.946 13.392 8.481 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.993 11.569 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.021 12.902 11.968 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.008 13.046 10.557 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.288 12.145 10.904 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.627 12.468 11.361 1.00 0.00 C ATOM 1119 C GLY A 76 -6.689 12.117 10.337 1.00 0.00 C ATOM 1120 O GLY A 76 -7.732 12.768 10.267 1.00 0.00 O ATOM 0 H GLY A 76 -4.076 11.148 10.870 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.830 11.933 12.289 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.683 13.533 11.588 1.00 0.00 H new ATOM 1124 N CYS A 77 -6.424 11.088 9.541 1.00 0.00 N ATOM 1125 CA CYS A 77 -7.364 10.653 8.514 1.00 0.00 C ATOM 1126 C CYS A 77 -7.835 9.226 8.777 1.00 0.00 C ATOM 1127 O CYS A 77 -7.268 8.519 9.610 1.00 0.00 O ATOM 1128 CB CYS A 77 -6.719 10.744 7.131 1.00 0.00 C ATOM 1129 SG CYS A 77 -6.828 12.381 6.372 1.00 0.00 S ATOM 0 H CYS A 77 -5.566 10.539 9.587 1.00 0.00 H new ATOM 0 HA CYS A 77 -8.230 11.314 8.546 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.669 10.462 7.212 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.194 10.017 6.472 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.253 12.358 5.206 1.00 0.00 H new ATOM 1135 N ARG A 78 -8.875 8.811 8.062 1.00 0.00 N ATOM 1136 CA ARG A 78 -9.423 7.469 8.219 1.00 0.00 C ATOM 1137 C ARG A 78 -9.510 6.755 6.873 1.00 0.00 C ATOM 1138 O ARG A 78 -10.296 7.138 6.006 1.00 0.00 O ATOM 1139 CB ARG A 78 -10.809 7.534 8.865 1.00 0.00 C ATOM 1140 CG ARG A 78 -10.778 7.461 10.383 1.00 0.00 C ATOM 1141 CD ARG A 78 -12.160 7.675 10.979 1.00 0.00 C ATOM 1142 NE ARG A 78 -12.722 8.970 10.607 1.00 0.00 N ATOM 1143 CZ ARG A 78 -13.388 9.186 9.478 1.00 0.00 C ATOM 1144 NH1 ARG A 78 -13.573 8.196 8.615 1.00 0.00 N ATOM 1145 NH2 ARG A 78 -13.870 10.393 9.210 1.00 0.00 N ATOM 0 H ARG A 78 -9.355 9.384 7.368 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.753 6.904 8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.297 8.461 8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.417 6.714 8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.393 6.490 10.694 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.093 8.215 10.771 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.827 6.881 10.643 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.101 7.604 12.065 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.596 9.752 11.249 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.204 7.267 8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.085 8.364 7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.729 11.157 9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.381 10.557 8.343 1.00 0.00 H new ATOM 1159 N VAL A 79 -8.698 5.717 6.706 1.00 0.00 N ATOM 1160 CA VAL A 79 -8.683 4.950 5.466 1.00 0.00 C ATOM 1161 C VAL A 79 -9.456 3.644 5.619 1.00 0.00 C ATOM 1162 O VAL A 79 -9.703 3.184 6.733 1.00 0.00 O ATOM 1163 CB VAL A 79 -7.243 4.632 5.020 1.00 0.00 C ATOM 1164 CG1 VAL A 79 -7.239 4.014 3.630 1.00 0.00 C ATOM 1165 CG2 VAL A 79 -6.385 5.888 5.057 1.00 0.00 C ATOM 0 H VAL A 79 -8.042 5.387 7.414 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.163 5.567 4.706 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.817 3.908 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.214 3.796 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.818 3.090 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.683 4.712 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.371 5.645 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.806 6.636 4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.362 6.283 6.073 1.00 0.00 H new ATOM 1175 N MET A 80 -9.834 3.052 4.491 1.00 0.00 N ATOM 1176 CA MET A 80 -10.578 1.797 4.500 1.00 0.00 C ATOM 1177 C MET A 80 -9.710 0.648 3.997 1.00 0.00 C ATOM 1178 O MET A 80 -9.019 0.775 2.985 1.00 0.00 O ATOM 1179 CB MET A 80 -11.834 1.919 3.636 1.00 0.00 C ATOM 1180 CG MET A 80 -12.496 0.584 3.335 1.00 0.00 C ATOM 1181 SD MET A 80 -14.253 0.748 2.963 1.00 0.00 S ATOM 1182 CE MET A 80 -14.787 -0.956 3.093 1.00 0.00 C ATOM 0 H MET A 80 -9.638 3.420 3.560 1.00 0.00 H new ATOM 0 HA MET A 80 -10.872 1.584 5.528 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.551 2.565 4.141 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.573 2.406 2.696 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.992 0.115 2.490 1.00 0.00 H new ATOM 0 HG3 MET A 80 -12.370 -0.081 4.190 1.00 0.00 H new ATOM 0 HE1 MET A 80 -15.284 -1.253 2.169 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.921 -1.597 3.262 1.00 0.00 H new ATOM 0 HE3 MET A 80 -15.481 -1.057 3.927 1.00 0.00 H new ATOM 1192 N LEU A 81 -9.751 -0.473 4.709 1.00 0.00 N ATOM 1193 CA LEU A 81 -8.968 -1.646 4.335 1.00 0.00 C ATOM 1194 C LEU A 81 -9.872 -2.852 4.100 1.00 0.00 C ATOM 1195 O LEU A 81 -10.679 -3.211 4.958 1.00 0.00 O ATOM 1196 CB LEU A 81 -7.942 -1.967 5.423 1.00 0.00 C ATOM 1197 CG LEU A 81 -6.869 -2.992 5.053 1.00 0.00 C ATOM 1198 CD1 LEU A 81 -5.916 -2.416 4.017 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -6.107 -3.438 6.292 1.00 0.00 C ATOM 0 H LEU A 81 -10.318 -0.594 5.548 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.444 -1.422 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.446 -1.040 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.475 -2.330 6.301 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.360 -3.864 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.159 -3.159 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.473 -2.148 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.432 -1.528 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.348 -4.167 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.627 -2.575 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.799 -3.891 7.001 1.00 0.00 H new ATOM 1211 N ILE A 82 -9.730 -3.473 2.934 1.00 0.00 N ATOM 1212 CA ILE A 82 -10.531 -4.641 2.589 1.00 0.00 C ATOM 1213 C ILE A 82 -9.653 -5.874 2.400 1.00 0.00 C ATOM 1214 O ILE A 82 -8.807 -5.915 1.508 1.00 0.00 O ATOM 1215 CB ILE A 82 -11.347 -4.404 1.305 1.00 0.00 C ATOM 1216 CG1 ILE A 82 -12.326 -3.244 1.503 1.00 0.00 C ATOM 1217 CG2 ILE A 82 -12.091 -5.670 0.908 1.00 0.00 C ATOM 1218 CD1 ILE A 82 -13.272 -3.046 0.339 1.00 0.00 C ATOM 0 H ILE A 82 -9.068 -3.187 2.213 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.216 -4.810 3.420 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.661 -4.142 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.908 -3.421 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.761 -2.325 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.663 -5.486 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.375 -6.472 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.769 -5.960 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.936 -2.208 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.699 -2.838 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.863 -3.950 0.193 1.00 0.00 H new ATOM 1230 N GLY A 83 -9.863 -6.878 3.245 1.00 0.00 N ATOM 1231 CA GLY A 83 -9.085 -8.100 3.153 1.00 0.00 C ATOM 1232 C GLY A 83 -9.520 -9.142 4.165 1.00 0.00 C ATOM 1233 O GLY A 83 -10.404 -8.892 4.984 1.00 0.00 O ATOM 0 H GLY A 83 -10.558 -6.867 3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.179 -8.512 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.031 -7.868 3.305 1.00 0.00 H new ATOM 1237 N LYS A 84 -8.899 -10.315 4.107 1.00 0.00 N ATOM 1238 CA LYS A 84 -9.226 -11.400 5.024 1.00 0.00 C ATOM 1239 C LYS A 84 -8.051 -11.707 5.946 1.00 0.00 C ATOM 1240 O LYS A 84 -6.891 -11.550 5.564 1.00 0.00 O ATOM 1241 CB LYS A 84 -9.616 -12.657 4.242 1.00 0.00 C ATOM 1242 CG LYS A 84 -8.481 -13.233 3.413 1.00 0.00 C ATOM 1243 CD LYS A 84 -8.838 -14.600 2.853 1.00 0.00 C ATOM 1244 CE LYS A 84 -8.510 -15.709 3.841 1.00 0.00 C ATOM 1245 NZ LYS A 84 -8.467 -17.044 3.181 1.00 0.00 N ATOM 0 H LYS A 84 -8.166 -10.539 3.434 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.071 -11.082 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.966 -13.416 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -10.452 -12.421 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.246 -12.553 2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.584 -13.313 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -9.900 -14.629 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.294 -14.767 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.548 -15.505 4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.256 -15.720 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.241 -17.773 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.393 -17.250 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.737 -17.041 2.440 1.00 0.00 H new