USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 746 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 92 SER OG : rot -69:sc= 0.0625 USER MOD Set 1.2: A 97 THR OG1 : rot -65:sc= -2.47! USER MOD Single : A 16 SER OG : rot 180:sc= -0.69! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -8! C(o=-8!,f=-11!) USER MOD Single : A 28 GLN : amide:sc= -0.817 K(o=-0.82,f=-2.5!) USER MOD Single : A 37 ASN : amide:sc= 0.777 K(o=0.78,f=-0.94) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -170:sc= -1.97! USER MOD Single : A 48 MET CE :methyl 169:sc= 0 (180deg=-0.11) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.828 K(o=-0.83,f=-5.5!) USER MOD Single : A 54 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.63) USER MOD Single : A 56 MET CE :methyl 153:sc= -0.257 (180deg=-1.35!) USER MOD Single : A 57 TYR OH : rot -15:sc= 0.699 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -10.1! C(o=-10!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.956 K(o=-0.96,f=-4.7!) USER MOD Single : A 78 ASN : amide:sc= -3.26! K(o=-3.3!,f=-4.1) USER MOD Single : A 82 TYR OH : rot 120:sc=-0.00639 USER MOD Single : A 83 CYS SG : rot 172:sc= -2.77 USER MOD Single : A 86 TYR OH : rot 89:sc= 0.487 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -38:sc= 0.485 USER MOD Single : A 96 ASN : amide:sc= -0.0227 K(o=-0.023,f=-0.75) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -7.991 -1.797 -0.998 1.00 0.00 N ATOM 84 CA VAL A 9 -7.315 -0.966 -1.979 1.00 0.00 C ATOM 85 C VAL A 9 -6.006 -0.443 -1.383 1.00 0.00 C ATOM 86 O VAL A 9 -6.019 0.289 -0.394 1.00 0.00 O ATOM 87 CB VAL A 9 -8.247 0.153 -2.448 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.450 1.383 -2.888 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.168 -0.334 -3.569 1.00 0.00 C ATOM 0 HA VAL A 9 -7.059 -1.550 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.872 0.444 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.137 2.163 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.857 1.751 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.788 1.112 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.820 0.481 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.567 -0.666 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.774 -1.164 -3.207 1.00 0.00 H new ATOM 99 N ILE A 10 -4.908 -0.838 -2.010 1.00 0.00 N ATOM 100 CA ILE A 10 -3.594 -0.419 -1.554 1.00 0.00 C ATOM 101 C ILE A 10 -3.334 1.017 -2.013 1.00 0.00 C ATOM 102 O ILE A 10 -2.732 1.238 -3.064 1.00 0.00 O ATOM 103 CB ILE A 10 -2.525 -1.413 -2.011 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.779 -2.801 -1.419 1.00 0.00 C ATOM 105 CG2 ILE A 10 -1.122 -0.899 -1.685 1.00 0.00 C ATOM 106 CD1 ILE A 10 -2.949 -2.727 0.100 1.00 0.00 C ATOM 0 H ILE A 10 -4.901 -1.444 -2.830 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.551 -0.419 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.588 -1.508 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.673 -3.234 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.948 -3.462 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.381 -1.625 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.955 0.051 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.028 -0.756 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.128 -3.727 0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.044 -2.317 0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.796 -2.085 0.340 1.00 0.00 H new ATOM 118 N ARG A 11 -3.800 1.957 -1.204 1.00 0.00 N ATOM 119 CA ARG A 11 -3.626 3.366 -1.515 1.00 0.00 C ATOM 120 C ARG A 11 -2.141 3.735 -1.489 1.00 0.00 C ATOM 121 O ARG A 11 -1.624 4.171 -0.462 1.00 0.00 O ATOM 122 CB ARG A 11 -4.381 4.248 -0.518 1.00 0.00 C ATOM 123 CG ARG A 11 -5.887 3.983 -0.583 1.00 0.00 C ATOM 124 CD ARG A 11 -6.667 5.073 0.154 1.00 0.00 C ATOM 125 NE ARG A 11 -6.150 5.221 1.533 1.00 0.00 N ATOM 126 CZ ARG A 11 -5.210 6.105 1.893 1.00 0.00 C ATOM 127 NH1 ARG A 11 -4.677 6.926 0.978 1.00 0.00 N ATOM 128 NH2 ARG A 11 -4.802 6.168 3.168 1.00 0.00 N ATOM 0 H ARG A 11 -4.298 1.771 -0.334 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.030 3.538 -2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.017 4.056 0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.183 5.298 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.208 3.941 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.108 3.011 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.578 6.019 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.727 4.819 0.179 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.534 4.611 2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.987 6.878 0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.961 7.599 1.252 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.207 5.543 3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.086 6.841 3.442 1.00 0.00 H new ATOM 142 N VAL A 12 -1.498 3.548 -2.632 1.00 0.00 N ATOM 143 CA VAL A 12 -0.083 3.855 -2.754 1.00 0.00 C ATOM 144 C VAL A 12 0.083 5.330 -3.127 1.00 0.00 C ATOM 145 O VAL A 12 -0.375 5.762 -4.183 1.00 0.00 O ATOM 146 CB VAL A 12 0.575 2.907 -3.758 1.00 0.00 C ATOM 147 CG1 VAL A 12 2.024 3.315 -4.029 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.494 1.457 -3.277 1.00 0.00 C ATOM 0 H VAL A 12 -1.931 3.188 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 12 0.425 3.700 -1.802 1.00 0.00 H new ATOM 0 HB VAL A 12 0.026 2.980 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.468 2.625 -4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.047 4.326 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.590 3.286 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.969 0.804 -4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.006 1.362 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.551 1.171 -3.159 1.00 0.00 H new ATOM 158 N PHE A 13 0.740 6.061 -2.239 1.00 0.00 N ATOM 159 CA PHE A 13 0.973 7.478 -2.462 1.00 0.00 C ATOM 160 C PHE A 13 2.115 7.697 -3.456 1.00 0.00 C ATOM 161 O PHE A 13 3.153 7.043 -3.369 1.00 0.00 O ATOM 162 CB PHE A 13 1.365 8.085 -1.113 1.00 0.00 C ATOM 163 CG PHE A 13 0.192 8.264 -0.147 1.00 0.00 C ATOM 164 CD1 PHE A 13 -0.608 7.207 0.155 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.050 9.481 0.410 1.00 0.00 C ATOM 166 CE1 PHE A 13 -1.697 7.373 1.052 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.139 9.648 1.306 1.00 0.00 C ATOM 168 CZ PHE A 13 -1.939 8.591 1.608 1.00 0.00 C ATOM 0 H PHE A 13 1.118 5.699 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 13 0.076 7.942 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.115 7.448 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.832 9.055 -1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.415 6.241 -0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.586 10.320 0.171 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.332 6.533 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.332 10.615 1.748 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.767 8.718 2.290 1.00 0.00 H new ATOM 178 N ILE A 14 1.884 8.618 -4.380 1.00 0.00 N ATOM 179 CA ILE A 14 2.880 8.931 -5.391 1.00 0.00 C ATOM 180 C ILE A 14 2.919 10.445 -5.611 1.00 0.00 C ATOM 181 O ILE A 14 1.893 11.116 -5.512 1.00 0.00 O ATOM 182 CB ILE A 14 2.617 8.130 -6.668 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.288 8.536 -7.306 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.687 6.626 -6.396 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.507 9.142 -8.694 1.00 0.00 C ATOM 0 H ILE A 14 1.021 9.158 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 14 3.872 8.632 -5.054 1.00 0.00 H new ATOM 0 HB ILE A 14 3.403 8.364 -7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.637 7.665 -7.384 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.779 9.257 -6.667 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.496 6.080 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.678 6.370 -6.021 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.937 6.355 -5.653 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.546 9.422 -9.125 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.138 10.027 -8.609 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.994 8.410 -9.338 1.00 0.00 H new ATOM 197 N ALA A 15 4.113 10.937 -5.905 1.00 0.00 N ATOM 198 CA ALA A 15 4.299 12.359 -6.141 1.00 0.00 C ATOM 199 C ALA A 15 4.898 12.567 -7.533 1.00 0.00 C ATOM 200 O ALA A 15 6.117 12.639 -7.683 1.00 0.00 O ATOM 201 CB ALA A 15 5.175 12.949 -5.034 1.00 0.00 C ATOM 0 H ALA A 15 4.962 10.377 -5.985 1.00 0.00 H new ATOM 0 HA ALA A 15 3.343 12.881 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.315 14.015 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.690 12.801 -4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.145 12.451 -5.033 1.00 0.00 H new ATOM 207 N SER A 16 4.014 12.658 -8.515 1.00 0.00 N ATOM 208 CA SER A 16 4.441 12.857 -9.890 1.00 0.00 C ATOM 209 C SER A 16 5.636 13.811 -9.934 1.00 0.00 C ATOM 210 O SER A 16 6.785 13.375 -9.887 1.00 0.00 O ATOM 211 CB SER A 16 3.297 13.399 -10.749 1.00 0.00 C ATOM 212 OG SER A 16 3.767 14.260 -11.782 1.00 0.00 O ATOM 0 H SER A 16 3.004 12.598 -8.386 1.00 0.00 H new ATOM 0 HA SER A 16 4.740 11.892 -10.298 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.750 12.566 -11.192 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.594 13.942 -10.117 1.00 0.00 H new ATOM 0 HG SER A 16 3.007 14.584 -12.309 1.00 0.00 H new ATOM 218 N SER A 17 5.324 15.096 -10.025 1.00 0.00 N ATOM 219 CA SER A 17 6.357 16.115 -10.076 1.00 0.00 C ATOM 220 C SER A 17 6.974 16.305 -8.689 1.00 0.00 C ATOM 221 O SER A 17 6.579 17.204 -7.947 1.00 0.00 O ATOM 222 CB SER A 17 5.798 17.442 -10.594 1.00 0.00 C ATOM 223 OG SER A 17 6.788 18.211 -11.271 1.00 0.00 O ATOM 0 H SER A 17 4.370 15.454 -10.065 1.00 0.00 H new ATOM 0 HA SER A 17 7.130 15.783 -10.769 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.966 17.245 -11.271 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.400 18.018 -9.759 1.00 0.00 H new ATOM 0 HG SER A 17 6.391 19.049 -11.588 1.00 0.00 H new ATOM 229 N SER A 18 7.933 15.445 -8.379 1.00 0.00 N ATOM 230 CA SER A 18 8.608 15.506 -7.094 1.00 0.00 C ATOM 231 C SER A 18 10.004 16.109 -7.265 1.00 0.00 C ATOM 232 O SER A 18 10.248 17.245 -6.860 1.00 0.00 O ATOM 233 CB SER A 18 8.704 14.120 -6.455 1.00 0.00 C ATOM 234 OG SER A 18 8.351 14.143 -5.075 1.00 0.00 O ATOM 0 H SER A 18 8.259 14.701 -8.996 1.00 0.00 H new ATOM 0 HA SER A 18 8.022 16.142 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.048 13.430 -6.986 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.720 13.741 -6.563 1.00 0.00 H new ATOM 0 HG SER A 18 8.423 13.239 -4.704 1.00 0.00 H new ATOM 240 N GLY A 19 10.884 15.322 -7.866 1.00 0.00 N ATOM 241 CA GLY A 19 12.249 15.764 -8.095 1.00 0.00 C ATOM 242 C GLY A 19 13.228 14.591 -8.005 1.00 0.00 C ATOM 243 O GLY A 19 14.260 14.586 -8.674 1.00 0.00 O ATOM 0 H GLY A 19 10.678 14.381 -8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.324 16.230 -9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.517 16.523 -7.360 1.00 0.00 H new ATOM 247 N PHE A 20 12.868 13.624 -7.174 1.00 0.00 N ATOM 248 CA PHE A 20 13.701 12.448 -6.988 1.00 0.00 C ATOM 249 C PHE A 20 13.247 11.305 -7.897 1.00 0.00 C ATOM 250 O PHE A 20 12.361 10.533 -7.534 1.00 0.00 O ATOM 251 CB PHE A 20 13.546 12.016 -5.528 1.00 0.00 C ATOM 252 CG PHE A 20 14.262 12.927 -4.530 1.00 0.00 C ATOM 253 CD1 PHE A 20 13.920 14.241 -4.441 1.00 0.00 C ATOM 254 CD2 PHE A 20 15.241 12.424 -3.731 1.00 0.00 C ATOM 255 CE1 PHE A 20 14.585 15.086 -3.514 1.00 0.00 C ATOM 256 CE2 PHE A 20 15.906 13.269 -2.804 1.00 0.00 C ATOM 257 CZ PHE A 20 15.564 14.583 -2.715 1.00 0.00 C ATOM 0 H PHE A 20 12.010 13.631 -6.622 1.00 0.00 H new ATOM 0 HA PHE A 20 14.736 12.683 -7.235 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.485 11.985 -5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.929 11.001 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 20 13.143 14.641 -5.075 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.513 11.381 -3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.313 16.129 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.683 12.869 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.070 15.226 -2.010 1.00 0.00 H new ATOM 267 N VAL A 21 13.874 11.233 -9.062 1.00 0.00 N ATOM 268 CA VAL A 21 13.545 10.197 -10.026 1.00 0.00 C ATOM 269 C VAL A 21 13.534 8.838 -9.324 1.00 0.00 C ATOM 270 O VAL A 21 12.720 7.975 -9.648 1.00 0.00 O ATOM 271 CB VAL A 21 14.518 10.252 -11.206 1.00 0.00 C ATOM 272 CG1 VAL A 21 15.945 9.930 -10.755 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.073 9.313 -12.329 1.00 0.00 C ATOM 0 H VAL A 21 14.608 11.875 -9.360 1.00 0.00 H new ATOM 0 HA VAL A 21 12.548 10.360 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 21 14.511 11.269 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.617 9.976 -11.612 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.262 10.656 -10.006 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.973 8.929 -10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.782 9.372 -13.155 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.036 8.290 -11.955 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.083 9.607 -12.679 1.00 0.00 H new ATOM 283 N ALA A 22 14.447 8.690 -8.375 1.00 0.00 N ATOM 284 CA ALA A 22 14.552 7.451 -7.624 1.00 0.00 C ATOM 285 C ALA A 22 13.209 7.149 -6.955 1.00 0.00 C ATOM 286 O ALA A 22 12.686 6.043 -7.077 1.00 0.00 O ATOM 287 CB ALA A 22 15.695 7.561 -6.614 1.00 0.00 C ATOM 0 H ALA A 22 15.121 9.408 -8.109 1.00 0.00 H new ATOM 0 HA ALA A 22 14.784 6.618 -8.288 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.773 6.631 -6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.631 7.745 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.497 8.385 -5.928 1.00 0.00 H new ATOM 293 N ILE A 23 12.691 8.153 -6.263 1.00 0.00 N ATOM 294 CA ILE A 23 11.419 8.009 -5.575 1.00 0.00 C ATOM 295 C ILE A 23 10.359 7.525 -6.566 1.00 0.00 C ATOM 296 O ILE A 23 9.567 6.638 -6.250 1.00 0.00 O ATOM 297 CB ILE A 23 11.045 9.311 -4.863 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.929 9.537 -3.634 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.557 9.335 -4.511 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.645 10.899 -2.997 1.00 0.00 C ATOM 0 H ILE A 23 13.129 9.069 -6.164 1.00 0.00 H new ATOM 0 HA ILE A 23 11.493 7.254 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 23 11.227 10.140 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.753 8.747 -2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.979 9.478 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.318 10.271 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.966 9.253 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.325 8.498 -3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.286 11.034 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.846 11.688 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.600 10.946 -2.689 1.00 0.00 H new ATOM 312 N LYS A 24 10.379 8.127 -7.746 1.00 0.00 N ATOM 313 CA LYS A 24 9.429 7.768 -8.786 1.00 0.00 C ATOM 314 C LYS A 24 9.592 6.286 -9.129 1.00 0.00 C ATOM 315 O LYS A 24 8.622 5.531 -9.107 1.00 0.00 O ATOM 316 CB LYS A 24 9.578 8.699 -9.991 1.00 0.00 C ATOM 317 CG LYS A 24 8.408 9.682 -10.072 1.00 0.00 C ATOM 318 CD LYS A 24 8.336 10.336 -11.453 1.00 0.00 C ATOM 319 CE LYS A 24 8.273 9.279 -12.558 1.00 0.00 C ATOM 320 NZ LYS A 24 7.482 9.775 -13.705 1.00 0.00 N ATOM 0 H LYS A 24 11.038 8.861 -8.005 1.00 0.00 H new ATOM 0 HA LYS A 24 8.407 7.903 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.516 9.250 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.627 8.110 -10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.474 9.159 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.520 10.450 -9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.458 10.979 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.208 10.973 -11.603 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.281 9.027 -12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.826 8.364 -12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.449 9.046 -14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.515 9.993 -13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.925 10.635 -14.086 1.00 0.00 H new ATOM 334 N LYS A 25 10.826 5.915 -9.438 1.00 0.00 N ATOM 335 CA LYS A 25 11.128 4.537 -9.785 1.00 0.00 C ATOM 336 C LYS A 25 10.502 3.605 -8.745 1.00 0.00 C ATOM 337 O LYS A 25 9.804 2.655 -9.098 1.00 0.00 O ATOM 338 CB LYS A 25 12.636 4.345 -9.954 1.00 0.00 C ATOM 339 CG LYS A 25 13.117 4.931 -11.283 1.00 0.00 C ATOM 340 CD LYS A 25 13.912 3.897 -12.083 1.00 0.00 C ATOM 341 CE LYS A 25 15.254 4.471 -12.541 1.00 0.00 C ATOM 342 NZ LYS A 25 15.496 4.151 -13.966 1.00 0.00 N ATOM 0 H LYS A 25 11.628 6.545 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 25 10.688 4.282 -10.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.162 4.825 -9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.878 3.283 -9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.261 5.268 -11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.738 5.806 -11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.081 3.011 -11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.333 3.580 -12.950 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.262 5.552 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.058 4.063 -11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.411 4.548 -14.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.510 3.119 -14.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.738 4.561 -14.548 1.00 0.00 H new ATOM 356 N LYS A 26 10.775 3.908 -7.485 1.00 0.00 N ATOM 357 CA LYS A 26 10.247 3.110 -6.392 1.00 0.00 C ATOM 358 C LYS A 26 8.729 2.994 -6.536 1.00 0.00 C ATOM 359 O LYS A 26 8.173 1.901 -6.438 1.00 0.00 O ATOM 360 CB LYS A 26 10.695 3.682 -5.045 1.00 0.00 C ATOM 361 CG LYS A 26 12.202 3.502 -4.847 1.00 0.00 C ATOM 362 CD LYS A 26 12.715 4.391 -3.712 1.00 0.00 C ATOM 363 CE LYS A 26 14.222 4.210 -3.513 1.00 0.00 C ATOM 364 NZ LYS A 26 14.629 4.692 -2.174 1.00 0.00 N ATOM 0 H LYS A 26 11.355 4.696 -7.196 1.00 0.00 H new ATOM 0 HA LYS A 26 10.649 2.098 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.442 4.741 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.157 3.185 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.421 2.458 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.726 3.747 -5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.497 5.435 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.190 4.147 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.486 3.158 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.765 4.757 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.654 4.562 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.395 5.701 -2.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.124 4.152 -1.442 1.00 0.00 H new ATOM 378 N GLN A 27 8.100 4.138 -6.767 1.00 0.00 N ATOM 379 CA GLN A 27 6.656 4.179 -6.926 1.00 0.00 C ATOM 380 C GLN A 27 6.212 3.186 -8.002 1.00 0.00 C ATOM 381 O GLN A 27 5.158 2.563 -7.880 1.00 0.00 O ATOM 382 CB GLN A 27 6.181 5.595 -7.257 1.00 0.00 C ATOM 383 CG GLN A 27 6.505 6.563 -6.118 1.00 0.00 C ATOM 384 CD GLN A 27 6.708 7.984 -6.646 1.00 0.00 C ATOM 385 OE1 GLN A 27 7.548 8.735 -6.178 1.00 0.00 O ATOM 386 NE2 GLN A 27 5.894 8.311 -7.646 1.00 0.00 N ATOM 0 H GLN A 27 8.564 5.043 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 27 6.198 3.889 -5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.658 5.937 -8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.106 5.589 -7.439 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.696 6.555 -5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.405 6.232 -5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.213 7.635 -7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.951 9.238 -8.068 1.00 0.00 H new ATOM 395 N GLN A 28 7.038 3.068 -9.031 1.00 0.00 N ATOM 396 CA GLN A 28 6.744 2.161 -10.127 1.00 0.00 C ATOM 397 C GLN A 28 6.837 0.709 -9.654 1.00 0.00 C ATOM 398 O GLN A 28 5.824 0.019 -9.552 1.00 0.00 O ATOM 399 CB GLN A 28 7.678 2.413 -11.312 1.00 0.00 C ATOM 400 CG GLN A 28 7.406 3.780 -11.944 1.00 0.00 C ATOM 401 CD GLN A 28 8.633 4.286 -12.705 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.313 5.212 -12.293 1.00 0.00 O ATOM 403 NE2 GLN A 28 8.878 3.628 -13.834 1.00 0.00 N ATOM 0 H GLN A 28 7.911 3.586 -9.129 1.00 0.00 H new ATOM 0 HA GLN A 28 5.724 2.348 -10.464 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.715 2.362 -10.980 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.544 1.630 -12.058 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.557 3.708 -12.623 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.134 4.496 -11.168 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.268 2.862 -14.120 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.676 3.889 -14.414 1.00 0.00 H new ATOM 412 N ASP A 29 8.063 0.288 -9.378 1.00 0.00 N ATOM 413 CA ASP A 29 8.302 -1.070 -8.919 1.00 0.00 C ATOM 414 C ASP A 29 7.179 -1.486 -7.966 1.00 0.00 C ATOM 415 O ASP A 29 6.822 -2.661 -7.897 1.00 0.00 O ATOM 416 CB ASP A 29 9.627 -1.169 -8.160 1.00 0.00 C ATOM 417 CG ASP A 29 10.483 -2.388 -8.512 1.00 0.00 C ATOM 418 OD1 ASP A 29 10.093 -3.497 -8.087 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.508 -2.182 -9.197 1.00 0.00 O ATOM 0 H ASP A 29 8.901 0.863 -9.463 1.00 0.00 H new ATOM 0 HA ASP A 29 8.337 -1.721 -9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.208 -0.267 -8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.416 -1.188 -7.091 1.00 0.00 H new ATOM 424 N VAL A 30 6.654 -0.500 -7.255 1.00 0.00 N ATOM 425 CA VAL A 30 5.579 -0.749 -6.309 1.00 0.00 C ATOM 426 C VAL A 30 4.313 -1.138 -7.074 1.00 0.00 C ATOM 427 O VAL A 30 3.894 -2.294 -7.041 1.00 0.00 O ATOM 428 CB VAL A 30 5.382 0.472 -5.408 1.00 0.00 C ATOM 429 CG1 VAL A 30 4.147 0.304 -4.520 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.631 0.739 -4.565 1.00 0.00 C ATOM 0 H VAL A 30 6.953 0.473 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 30 5.832 -1.582 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 30 5.219 1.339 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.030 1.185 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.262 0.185 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.268 -0.578 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.464 1.612 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.839 -0.128 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.481 0.923 -5.222 1.00 0.00 H new ATOM 440 N VAL A 31 3.738 -0.151 -7.745 1.00 0.00 N ATOM 441 CA VAL A 31 2.528 -0.376 -8.517 1.00 0.00 C ATOM 442 C VAL A 31 2.779 -1.486 -9.539 1.00 0.00 C ATOM 443 O VAL A 31 1.997 -2.430 -9.640 1.00 0.00 O ATOM 444 CB VAL A 31 2.065 0.934 -9.158 1.00 0.00 C ATOM 445 CG1 VAL A 31 2.229 2.107 -8.190 1.00 0.00 C ATOM 446 CG2 VAL A 31 2.811 1.196 -10.468 1.00 0.00 C ATOM 0 H VAL A 31 4.088 0.807 -7.770 1.00 0.00 H new ATOM 0 HA VAL A 31 1.718 -0.709 -7.868 1.00 0.00 H new ATOM 0 HB VAL A 31 1.004 0.837 -9.389 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.893 3.025 -8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.633 1.927 -7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.279 2.206 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.464 2.133 -10.903 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.881 1.262 -10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.621 0.380 -11.165 1.00 0.00 H new ATOM 456 N ARG A 32 3.873 -1.336 -10.271 1.00 0.00 N ATOM 457 CA ARG A 32 4.237 -2.315 -11.282 1.00 0.00 C ATOM 458 C ARG A 32 3.971 -3.731 -10.769 1.00 0.00 C ATOM 459 O ARG A 32 3.281 -4.513 -11.422 1.00 0.00 O ATOM 460 CB ARG A 32 5.712 -2.187 -11.666 1.00 0.00 C ATOM 461 CG ARG A 32 5.981 -0.859 -12.376 1.00 0.00 C ATOM 462 CD ARG A 32 6.148 -1.067 -13.883 1.00 0.00 C ATOM 463 NE ARG A 32 6.535 0.207 -14.530 1.00 0.00 N ATOM 464 CZ ARG A 32 5.669 1.173 -14.863 1.00 0.00 C ATOM 465 NH1 ARG A 32 4.362 1.017 -14.613 1.00 0.00 N ATOM 466 NH2 ARG A 32 6.110 2.296 -15.447 1.00 0.00 N ATOM 0 H ARG A 32 4.519 -0.552 -10.184 1.00 0.00 H new ATOM 0 HA ARG A 32 3.626 -2.124 -12.164 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.332 -2.257 -10.772 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.995 -3.015 -12.316 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.158 -0.169 -12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.881 -0.399 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.908 -1.826 -14.072 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.216 -1.435 -14.313 1.00 0.00 H new ATOM 0 HE ARG A 32 7.523 0.359 -14.735 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.026 0.162 -14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.703 1.753 -14.867 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.105 2.415 -15.638 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.451 3.032 -15.701 1.00 0.00 H new ATOM 480 N PHE A 33 4.533 -4.020 -9.604 1.00 0.00 N ATOM 481 CA PHE A 33 4.365 -5.329 -8.996 1.00 0.00 C ATOM 482 C PHE A 33 2.883 -5.673 -8.835 1.00 0.00 C ATOM 483 O PHE A 33 2.443 -6.745 -9.248 1.00 0.00 O ATOM 484 CB PHE A 33 5.015 -5.266 -7.612 1.00 0.00 C ATOM 485 CG PHE A 33 5.209 -6.633 -6.953 1.00 0.00 C ATOM 486 CD1 PHE A 33 6.329 -7.360 -7.213 1.00 0.00 C ATOM 487 CD2 PHE A 33 4.263 -7.121 -6.108 1.00 0.00 C ATOM 488 CE1 PHE A 33 6.509 -8.629 -6.602 1.00 0.00 C ATOM 489 CE2 PHE A 33 4.443 -8.390 -5.496 1.00 0.00 C ATOM 490 CZ PHE A 33 5.562 -9.117 -5.756 1.00 0.00 C ATOM 0 H PHE A 33 5.105 -3.370 -9.065 1.00 0.00 H new ATOM 0 HA PHE A 33 4.821 -6.093 -9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.984 -4.775 -7.699 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.400 -4.644 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.081 -6.972 -7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.374 -6.544 -5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 33 7.398 -9.207 -6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.691 -8.777 -4.824 1.00 0.00 H new ATOM 0 HZ PHE A 33 5.699 -10.082 -5.291 1.00 0.00 H new ATOM 500 N LEU A 34 2.155 -4.744 -8.234 1.00 0.00 N ATOM 501 CA LEU A 34 0.732 -4.935 -8.013 1.00 0.00 C ATOM 502 C LEU A 34 0.045 -5.213 -9.352 1.00 0.00 C ATOM 503 O LEU A 34 -0.674 -6.201 -9.492 1.00 0.00 O ATOM 504 CB LEU A 34 0.142 -3.745 -7.254 1.00 0.00 C ATOM 505 CG LEU A 34 0.855 -3.355 -5.958 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.415 -1.969 -5.485 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.653 -4.421 -4.879 1.00 0.00 C ATOM 0 H LEU A 34 2.524 -3.856 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 34 0.559 -5.804 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.140 -2.881 -7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.899 -3.969 -7.019 1.00 0.00 H new ATOM 0 HG LEU A 34 1.925 -3.300 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.937 -1.717 -4.562 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.654 -1.231 -6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.660 -1.970 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.170 -4.119 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.411 -4.532 -4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.056 -5.372 -5.227 1.00 0.00 H new ATOM 519 N GLU A 35 0.291 -4.322 -10.302 1.00 0.00 N ATOM 520 CA GLU A 35 -0.295 -4.459 -11.625 1.00 0.00 C ATOM 521 C GLU A 35 0.064 -5.819 -12.227 1.00 0.00 C ATOM 522 O GLU A 35 -0.813 -6.551 -12.682 1.00 0.00 O ATOM 523 CB GLU A 35 0.151 -3.318 -12.542 1.00 0.00 C ATOM 524 CG GLU A 35 -0.506 -1.998 -12.136 1.00 0.00 C ATOM 525 CD GLU A 35 -2.023 -2.060 -12.327 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.457 -2.886 -13.159 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.714 -1.278 -11.638 1.00 0.00 O ATOM 0 H GLU A 35 0.888 -3.503 -10.182 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.379 -4.402 -11.529 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.235 -3.216 -12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.107 -3.554 -13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.276 -1.778 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.094 -1.184 -12.732 1.00 0.00 H new ATOM 534 N ALA A 36 1.355 -6.116 -12.210 1.00 0.00 N ATOM 535 CA ALA A 36 1.841 -7.375 -12.748 1.00 0.00 C ATOM 536 C ALA A 36 1.244 -8.532 -11.945 1.00 0.00 C ATOM 537 O ALA A 36 1.181 -9.661 -12.429 1.00 0.00 O ATOM 538 CB ALA A 36 3.371 -7.382 -12.731 1.00 0.00 C ATOM 0 H ALA A 36 2.080 -5.506 -11.832 1.00 0.00 H new ATOM 0 HA ALA A 36 1.526 -7.496 -13.785 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.735 -8.327 -13.135 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.745 -6.559 -13.340 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.724 -7.265 -11.706 1.00 0.00 H new ATOM 544 N ASN A 37 0.820 -8.211 -10.731 1.00 0.00 N ATOM 545 CA ASN A 37 0.230 -9.210 -9.856 1.00 0.00 C ATOM 546 C ASN A 37 -1.292 -9.057 -9.868 1.00 0.00 C ATOM 547 O ASN A 37 -1.995 -9.753 -9.137 1.00 0.00 O ATOM 548 CB ASN A 37 0.712 -9.033 -8.415 1.00 0.00 C ATOM 549 CG ASN A 37 2.043 -9.754 -8.189 1.00 0.00 C ATOM 550 OD1 ASN A 37 2.096 -10.898 -7.769 1.00 0.00 O ATOM 551 ND2 ASN A 37 3.112 -9.022 -8.491 1.00 0.00 N ATOM 0 H ASN A 37 0.873 -7.273 -10.333 1.00 0.00 H new ATOM 0 HA ASN A 37 0.528 -10.194 -10.218 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.827 -7.972 -8.194 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.038 -9.422 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.047 -9.413 -8.375 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.997 -8.070 -8.838 1.00 0.00 H new ATOM 558 N LYS A 38 -1.756 -8.141 -10.705 1.00 0.00 N ATOM 559 CA LYS A 38 -3.182 -7.888 -10.822 1.00 0.00 C ATOM 560 C LYS A 38 -3.752 -7.561 -9.440 1.00 0.00 C ATOM 561 O LYS A 38 -4.904 -7.881 -9.148 1.00 0.00 O ATOM 562 CB LYS A 38 -3.880 -9.061 -11.513 1.00 0.00 C ATOM 563 CG LYS A 38 -3.758 -8.952 -13.034 1.00 0.00 C ATOM 564 CD LYS A 38 -4.605 -7.797 -13.572 1.00 0.00 C ATOM 565 CE LYS A 38 -4.824 -7.933 -15.080 1.00 0.00 C ATOM 566 NZ LYS A 38 -5.328 -6.663 -15.647 1.00 0.00 N ATOM 0 H LYS A 38 -1.170 -7.565 -11.309 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.364 -7.021 -11.457 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.441 -10.000 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.932 -9.081 -11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.714 -8.800 -13.308 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.076 -9.887 -13.496 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.568 -7.779 -13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.112 -6.849 -13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.888 -8.209 -15.566 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.535 -8.735 -15.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.471 -6.773 -16.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.232 -6.416 -15.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.636 -5.906 -15.473 1.00 0.00 H new ATOM 580 N ILE A 39 -2.920 -6.928 -8.626 1.00 0.00 N ATOM 581 CA ILE A 39 -3.327 -6.554 -7.282 1.00 0.00 C ATOM 582 C ILE A 39 -4.099 -5.234 -7.336 1.00 0.00 C ATOM 583 O ILE A 39 -3.804 -4.372 -8.162 1.00 0.00 O ATOM 584 CB ILE A 39 -2.117 -6.521 -6.346 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.627 -7.937 -6.033 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.429 -5.729 -5.075 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.215 -7.911 -5.446 1.00 0.00 C ATOM 0 H ILE A 39 -1.966 -6.665 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.002 -7.302 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.304 -6.004 -6.856 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.309 -8.414 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.636 -8.538 -6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.553 -5.721 -4.427 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.694 -4.705 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.263 -6.196 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.109 -8.930 -5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.469 -7.455 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.215 -7.330 -4.524 1.00 0.00 H new ATOM 599 N GLU A 40 -5.072 -5.118 -6.445 1.00 0.00 N ATOM 600 CA GLU A 40 -5.889 -3.918 -6.381 1.00 0.00 C ATOM 601 C GLU A 40 -5.168 -2.828 -5.585 1.00 0.00 C ATOM 602 O GLU A 40 -4.589 -3.101 -4.535 1.00 0.00 O ATOM 603 CB GLU A 40 -7.262 -4.220 -5.776 1.00 0.00 C ATOM 604 CG GLU A 40 -7.201 -4.217 -4.248 1.00 0.00 C ATOM 605 CD GLU A 40 -8.168 -5.246 -3.658 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.389 -4.996 -3.753 1.00 0.00 O ATOM 607 OE2 GLU A 40 -7.665 -6.259 -3.126 1.00 0.00 O ATOM 0 H GLU A 40 -5.313 -5.835 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.048 -3.556 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.984 -3.478 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.613 -5.190 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.185 -4.438 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.448 -3.224 -3.873 1.00 0.00 H new ATOM 614 N PHE A 41 -5.227 -1.615 -6.117 1.00 0.00 N ATOM 615 CA PHE A 41 -4.587 -0.483 -5.469 1.00 0.00 C ATOM 616 C PHE A 41 -4.896 0.819 -6.212 1.00 0.00 C ATOM 617 O PHE A 41 -5.560 0.805 -7.247 1.00 0.00 O ATOM 618 CB PHE A 41 -3.079 -0.736 -5.514 1.00 0.00 C ATOM 619 CG PHE A 41 -2.454 -0.532 -6.896 1.00 0.00 C ATOM 620 CD1 PHE A 41 -2.049 0.707 -7.283 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.304 -1.590 -7.737 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.469 0.897 -8.565 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.724 -1.401 -9.019 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.319 -0.161 -9.406 1.00 0.00 C ATOM 0 H PHE A 41 -5.708 -1.392 -6.989 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.952 -0.383 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.588 -0.071 -4.803 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.882 -1.756 -5.185 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.169 1.547 -6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.626 -2.574 -7.430 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.147 1.881 -8.872 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.604 -2.241 -9.687 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.878 -0.017 -10.381 1.00 0.00 H new ATOM 634 N GLU A 42 -4.399 1.913 -5.653 1.00 0.00 N ATOM 635 CA GLU A 42 -4.613 3.221 -6.249 1.00 0.00 C ATOM 636 C GLU A 42 -3.388 4.111 -6.032 1.00 0.00 C ATOM 637 O GLU A 42 -2.798 4.109 -4.953 1.00 0.00 O ATOM 638 CB GLU A 42 -5.875 3.879 -5.687 1.00 0.00 C ATOM 639 CG GLU A 42 -5.736 4.137 -4.186 1.00 0.00 C ATOM 640 CD GLU A 42 -6.902 4.981 -3.664 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.770 6.223 -3.713 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.898 4.364 -3.229 1.00 0.00 O ATOM 0 H GLU A 42 -3.849 1.920 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.757 3.091 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.061 4.819 -6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.737 3.238 -5.871 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.702 3.187 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.794 4.649 -3.987 1.00 0.00 H new ATOM 649 N GLU A 43 -3.040 4.850 -7.076 1.00 0.00 N ATOM 650 CA GLU A 43 -1.896 5.742 -7.013 1.00 0.00 C ATOM 651 C GLU A 43 -2.324 7.120 -6.505 1.00 0.00 C ATOM 652 O GLU A 43 -2.510 8.046 -7.293 1.00 0.00 O ATOM 653 CB GLU A 43 -1.209 5.849 -8.376 1.00 0.00 C ATOM 654 CG GLU A 43 -0.090 4.814 -8.509 1.00 0.00 C ATOM 655 CD GLU A 43 0.349 4.666 -9.967 1.00 0.00 C ATOM 656 OE1 GLU A 43 -0.534 4.796 -10.842 1.00 0.00 O ATOM 657 OE2 GLU A 43 1.559 4.426 -10.174 1.00 0.00 O ATOM 0 H GLU A 43 -3.531 4.849 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.174 5.326 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.942 5.701 -9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.799 6.851 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.761 5.113 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.433 3.852 -8.129 1.00 0.00 H new ATOM 664 N VAL A 44 -2.469 7.213 -5.191 1.00 0.00 N ATOM 665 CA VAL A 44 -2.872 8.462 -4.569 1.00 0.00 C ATOM 666 C VAL A 44 -1.848 9.548 -4.905 1.00 0.00 C ATOM 667 O VAL A 44 -0.806 9.645 -4.259 1.00 0.00 O ATOM 668 CB VAL A 44 -3.057 8.261 -3.063 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.139 9.605 -2.336 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.291 7.404 -2.772 1.00 0.00 C ATOM 0 H VAL A 44 -2.314 6.443 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.835 8.790 -4.961 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.183 7.729 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.270 9.433 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.219 10.166 -2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.986 10.175 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.400 7.276 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.178 7.896 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.175 6.428 -3.243 1.00 0.00 H new ATOM 680 N ASP A 45 -2.182 10.338 -5.915 1.00 0.00 N ATOM 681 CA ASP A 45 -1.304 11.414 -6.345 1.00 0.00 C ATOM 682 C ASP A 45 -1.258 12.493 -5.261 1.00 0.00 C ATOM 683 O ASP A 45 -2.222 13.234 -5.076 1.00 0.00 O ATOM 684 CB ASP A 45 -1.816 12.060 -7.634 1.00 0.00 C ATOM 685 CG ASP A 45 -0.822 12.993 -8.328 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.077 13.494 -7.618 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.983 13.183 -9.553 1.00 0.00 O ATOM 0 H ASP A 45 -3.048 10.255 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.314 10.992 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.098 11.271 -8.331 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.721 12.623 -7.406 1.00 0.00 H new ATOM 692 N ILE A 46 -0.128 12.547 -4.572 1.00 0.00 N ATOM 693 CA ILE A 46 0.057 13.522 -3.512 1.00 0.00 C ATOM 694 C ILE A 46 0.561 14.835 -4.114 1.00 0.00 C ATOM 695 O ILE A 46 0.189 15.915 -3.659 1.00 0.00 O ATOM 696 CB ILE A 46 0.965 12.959 -2.417 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.272 12.428 -3.009 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.236 11.897 -1.592 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.396 12.455 -1.971 1.00 0.00 C ATOM 0 H ILE A 46 0.669 11.930 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.894 13.739 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 46 1.225 13.771 -1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.126 11.408 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.555 13.030 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.904 11.513 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.643 12.340 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.074 11.080 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.313 12.072 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.556 13.479 -1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.120 11.833 -1.120 1.00 0.00 H new ATOM 711 N THR A 47 1.402 14.699 -5.129 1.00 0.00 N ATOM 712 CA THR A 47 1.961 15.860 -5.799 1.00 0.00 C ATOM 713 C THR A 47 0.844 16.746 -6.353 1.00 0.00 C ATOM 714 O THR A 47 0.992 17.965 -6.427 1.00 0.00 O ATOM 715 CB THR A 47 2.933 15.365 -6.872 1.00 0.00 C ATOM 716 OG1 THR A 47 4.212 15.449 -6.249 1.00 0.00 O ATOM 717 CG2 THR A 47 3.034 16.325 -8.059 1.00 0.00 C ATOM 0 H THR A 47 1.710 13.802 -5.504 1.00 0.00 H new ATOM 0 HA THR A 47 2.516 16.489 -5.103 1.00 0.00 H new ATOM 0 HB THR A 47 2.614 14.384 -7.224 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.912 15.300 -6.918 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.737 15.926 -8.791 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.053 16.437 -8.521 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.384 17.297 -7.712 1.00 0.00 H new ATOM 725 N MET A 48 -0.249 16.099 -6.729 1.00 0.00 N ATOM 726 CA MET A 48 -1.391 16.812 -7.274 1.00 0.00 C ATOM 727 C MET A 48 -2.326 17.286 -6.159 1.00 0.00 C ATOM 728 O MET A 48 -2.713 18.453 -6.122 1.00 0.00 O ATOM 729 CB MET A 48 -2.159 15.895 -8.229 1.00 0.00 C ATOM 730 CG MET A 48 -1.456 15.802 -9.584 1.00 0.00 C ATOM 731 SD MET A 48 -1.500 17.387 -10.404 1.00 0.00 S ATOM 732 CE MET A 48 0.194 17.497 -10.956 1.00 0.00 C ATOM 0 H MET A 48 -0.368 15.088 -6.667 1.00 0.00 H new ATOM 0 HA MET A 48 -1.025 17.687 -7.812 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.247 14.900 -7.792 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.172 16.273 -8.366 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.423 15.483 -9.446 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.942 15.049 -10.204 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.297 18.330 -11.652 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.846 17.659 -10.098 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.475 16.570 -11.455 1.00 0.00 H new ATOM 742 N SER A 49 -2.661 16.356 -5.277 1.00 0.00 N ATOM 743 CA SER A 49 -3.543 16.663 -4.164 1.00 0.00 C ATOM 744 C SER A 49 -2.721 16.891 -2.893 1.00 0.00 C ATOM 745 O SER A 49 -2.375 15.939 -2.195 1.00 0.00 O ATOM 746 CB SER A 49 -4.562 15.544 -3.943 1.00 0.00 C ATOM 747 OG SER A 49 -5.485 15.442 -5.024 1.00 0.00 O ATOM 0 H SER A 49 -2.337 15.389 -5.311 1.00 0.00 H new ATOM 0 HA SER A 49 -4.091 17.574 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.039 14.596 -3.822 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.107 15.727 -3.017 1.00 0.00 H new ATOM 0 HG SER A 49 -6.118 14.715 -4.846 1.00 0.00 H new ATOM 753 N GLU A 50 -2.433 18.157 -2.632 1.00 0.00 N ATOM 754 CA GLU A 50 -1.659 18.522 -1.458 1.00 0.00 C ATOM 755 C GLU A 50 -2.181 17.779 -0.226 1.00 0.00 C ATOM 756 O GLU A 50 -1.410 17.149 0.496 1.00 0.00 O ATOM 757 CB GLU A 50 -1.680 20.035 -1.235 1.00 0.00 C ATOM 758 CG GLU A 50 -0.688 20.443 -0.143 1.00 0.00 C ATOM 759 CD GLU A 50 -1.280 21.530 0.757 1.00 0.00 C ATOM 760 OE1 GLU A 50 -2.433 21.335 1.199 1.00 0.00 O ATOM 761 OE2 GLU A 50 -0.566 22.531 0.982 1.00 0.00 O ATOM 0 H GLU A 50 -2.722 18.943 -3.214 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.623 18.227 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.433 20.547 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.685 20.351 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.424 19.572 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.233 20.806 -0.600 1.00 0.00 H new ATOM 768 N GLU A 51 -3.487 17.878 -0.025 1.00 0.00 N ATOM 769 CA GLU A 51 -4.121 17.224 1.107 1.00 0.00 C ATOM 770 C GLU A 51 -3.530 15.827 1.312 1.00 0.00 C ATOM 771 O GLU A 51 -3.016 15.518 2.385 1.00 0.00 O ATOM 772 CB GLU A 51 -5.638 17.156 0.922 1.00 0.00 C ATOM 773 CG GLU A 51 -6.366 17.619 2.185 1.00 0.00 C ATOM 774 CD GLU A 51 -6.563 19.137 2.178 1.00 0.00 C ATOM 775 OE1 GLU A 51 -5.598 19.836 2.556 1.00 0.00 O ATOM 776 OE2 GLU A 51 -7.674 19.563 1.796 1.00 0.00 O ATOM 0 H GLU A 51 -4.123 18.401 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.924 17.816 2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.933 17.780 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.933 16.135 0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.334 17.123 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.795 17.327 3.066 1.00 0.00 H new ATOM 783 N GLN A 52 -3.624 15.021 0.265 1.00 0.00 N ATOM 784 CA GLN A 52 -3.106 13.664 0.316 1.00 0.00 C ATOM 785 C GLN A 52 -1.724 13.648 0.974 1.00 0.00 C ATOM 786 O GLN A 52 -1.455 12.818 1.840 1.00 0.00 O ATOM 787 CB GLN A 52 -3.055 13.043 -1.081 1.00 0.00 C ATOM 788 CG GLN A 52 -4.461 12.882 -1.661 1.00 0.00 C ATOM 789 CD GLN A 52 -5.354 12.073 -0.718 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.394 10.854 -0.752 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.066 12.817 0.124 1.00 0.00 N ATOM 0 H GLN A 52 -4.051 15.281 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.783 13.060 0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.456 13.671 -1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.564 12.071 -1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.902 13.864 -1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.404 12.385 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.985 13.834 0.100 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.693 12.371 0.794 1.00 0.00 H new ATOM 800 N ARG A 53 -0.886 14.576 0.537 1.00 0.00 N ATOM 801 CA ARG A 53 0.461 14.680 1.073 1.00 0.00 C ATOM 802 C ARG A 53 0.415 14.910 2.584 1.00 0.00 C ATOM 803 O ARG A 53 0.871 14.070 3.358 1.00 0.00 O ATOM 804 CB ARG A 53 1.230 15.826 0.412 1.00 0.00 C ATOM 805 CG ARG A 53 2.740 15.606 0.519 1.00 0.00 C ATOM 806 CD ARG A 53 3.492 16.449 -0.513 1.00 0.00 C ATOM 807 NE ARG A 53 4.824 16.823 0.012 1.00 0.00 N ATOM 808 CZ ARG A 53 5.652 17.689 -0.588 1.00 0.00 C ATOM 809 NH1 ARG A 53 5.289 18.276 -1.737 1.00 0.00 N ATOM 810 NH2 ARG A 53 6.842 17.969 -0.039 1.00 0.00 N ATOM 0 H ARG A 53 -1.113 15.263 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 53 0.975 13.743 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.944 15.904 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.962 16.770 0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.079 15.866 1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.969 14.551 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.602 15.889 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.920 17.346 -0.748 1.00 0.00 H new ATOM 0 HE ARG A 53 5.131 16.395 0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.383 18.063 -2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.919 18.935 -2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.118 17.523 0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.472 18.628 -0.496 1.00 0.00 H new ATOM 824 N GLN A 54 -0.140 16.053 2.960 1.00 0.00 N ATOM 825 CA GLN A 54 -0.251 16.405 4.365 1.00 0.00 C ATOM 826 C GLN A 54 -0.724 15.198 5.179 1.00 0.00 C ATOM 827 O GLN A 54 -0.061 14.789 6.131 1.00 0.00 O ATOM 828 CB GLN A 54 -1.189 17.598 4.559 1.00 0.00 C ATOM 829 CG GLN A 54 -0.488 18.911 4.205 1.00 0.00 C ATOM 830 CD GLN A 54 0.816 19.065 4.990 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.840 19.060 6.210 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.895 19.202 4.225 1.00 0.00 N ATOM 0 H GLN A 54 -0.518 16.747 2.315 1.00 0.00 H new ATOM 0 HA GLN A 54 0.735 16.698 4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.074 17.474 3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.531 17.632 5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.278 18.939 3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.149 19.750 4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.804 19.197 3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.814 19.312 4.654 1.00 0.00 H new ATOM 841 N TRP A 55 -1.866 14.662 4.774 1.00 0.00 N ATOM 842 CA TRP A 55 -2.434 13.511 5.453 1.00 0.00 C ATOM 843 C TRP A 55 -1.323 12.476 5.640 1.00 0.00 C ATOM 844 O TRP A 55 -1.170 11.913 6.722 1.00 0.00 O ATOM 845 CB TRP A 55 -3.640 12.962 4.687 1.00 0.00 C ATOM 846 CG TRP A 55 -4.357 11.812 5.396 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.502 11.858 6.091 1.00 0.00 C ATOM 848 CD2 TRP A 55 -3.929 10.435 5.452 1.00 0.00 C ATOM 849 NE1 TRP A 55 -5.841 10.616 6.588 1.00 0.00 N ATOM 850 CE2 TRP A 55 -4.854 9.723 6.187 1.00 0.00 C ATOM 851 CE3 TRP A 55 -2.796 9.812 4.899 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -4.743 8.350 6.438 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -2.699 8.439 5.158 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.622 7.708 5.897 1.00 0.00 C ATOM 0 H TRP A 55 -2.413 15.004 3.984 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.816 13.792 6.434 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.351 13.772 4.520 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.310 12.621 3.706 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.086 12.754 6.243 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.665 10.394 7.147 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.059 10.350 4.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.481 7.815 7.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -1.847 7.911 4.755 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.475 6.649 6.053 1.00 0.00 H new ATOM 865 N MET A 56 -0.576 12.256 4.567 1.00 0.00 N ATOM 866 CA MET A 56 0.516 11.299 4.599 1.00 0.00 C ATOM 867 C MET A 56 1.538 11.668 5.677 1.00 0.00 C ATOM 868 O MET A 56 2.000 10.805 6.421 1.00 0.00 O ATOM 869 CB MET A 56 1.205 11.264 3.234 1.00 0.00 C ATOM 870 CG MET A 56 1.979 9.958 3.043 1.00 0.00 C ATOM 871 SD MET A 56 2.799 9.960 1.458 1.00 0.00 S ATOM 872 CE MET A 56 3.903 11.345 1.681 1.00 0.00 C ATOM 0 H MET A 56 -0.706 12.725 3.670 1.00 0.00 H new ATOM 0 HA MET A 56 0.106 10.317 4.834 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.461 11.369 2.444 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.886 12.111 3.145 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.712 9.840 3.841 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.298 9.109 3.108 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.782 11.215 1.049 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.391 12.267 1.405 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.212 11.400 2.725 1.00 0.00 H new ATOM 882 N TYR A 57 1.859 12.953 5.727 1.00 0.00 N ATOM 883 CA TYR A 57 2.817 13.447 6.701 1.00 0.00 C ATOM 884 C TYR A 57 2.274 13.307 8.124 1.00 0.00 C ATOM 885 O TYR A 57 3.000 13.519 9.094 1.00 0.00 O ATOM 886 CB TYR A 57 3.012 14.931 6.386 1.00 0.00 C ATOM 887 CG TYR A 57 3.985 15.201 5.236 1.00 0.00 C ATOM 888 CD1 TYR A 57 3.980 14.385 4.123 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.866 16.260 5.312 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.895 14.638 3.040 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.782 16.513 4.229 1.00 0.00 C ATOM 892 CZ TYR A 57 5.751 15.690 3.147 1.00 0.00 C ATOM 893 OH TYR A 57 6.616 15.930 2.125 1.00 0.00 O ATOM 0 H TYR A 57 1.473 13.666 5.109 1.00 0.00 H new ATOM 0 HA TYR A 57 3.747 12.882 6.644 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.045 15.370 6.141 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.374 15.437 7.281 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.290 13.556 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.869 16.899 6.183 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.901 14.007 2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.478 17.338 4.276 1.00 0.00 H new ATOM 0 HH TYR A 57 6.656 15.145 1.539 1.00 0.00 H new ATOM 903 N LYS A 58 1.000 12.952 8.205 1.00 0.00 N ATOM 904 CA LYS A 58 0.350 12.782 9.493 1.00 0.00 C ATOM 905 C LYS A 58 0.229 11.289 9.805 1.00 0.00 C ATOM 906 O LYS A 58 -0.105 10.911 10.927 1.00 0.00 O ATOM 907 CB LYS A 58 -0.986 13.527 9.522 1.00 0.00 C ATOM 908 CG LYS A 58 -0.801 15.000 9.154 1.00 0.00 C ATOM 909 CD LYS A 58 -1.732 15.892 9.977 1.00 0.00 C ATOM 910 CE LYS A 58 -1.916 17.257 9.309 1.00 0.00 C ATOM 911 NZ LYS A 58 -2.593 18.197 10.230 1.00 0.00 N ATOM 0 H LYS A 58 0.400 12.777 7.399 1.00 0.00 H new ATOM 0 HA LYS A 58 0.953 13.226 10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.682 13.059 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.428 13.449 10.515 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.235 15.294 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.001 15.141 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.701 15.405 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.322 16.025 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.946 17.660 9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.503 17.146 8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.710 19.118 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.527 17.818 10.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.019 18.316 11.089 1.00 0.00 H new ATOM 925 N ASN A 59 0.508 10.481 8.793 1.00 0.00 N ATOM 926 CA ASN A 59 0.434 9.038 8.945 1.00 0.00 C ATOM 927 C ASN A 59 1.823 8.435 8.724 1.00 0.00 C ATOM 928 O ASN A 59 1.954 7.377 8.111 1.00 0.00 O ATOM 929 CB ASN A 59 -0.517 8.423 7.916 1.00 0.00 C ATOM 930 CG ASN A 59 -1.961 8.856 8.177 1.00 0.00 C ATOM 931 OD1 ASN A 59 -2.865 8.048 8.309 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.127 10.174 8.245 1.00 0.00 N ATOM 0 H ASN A 59 0.786 10.798 7.864 1.00 0.00 H new ATOM 0 HA ASN A 59 0.067 8.823 9.949 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.218 8.726 6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.447 7.336 7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.054 10.563 8.417 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.327 10.796 8.125 1.00 0.00 H new ATOM 939 N VAL A 60 2.825 9.135 9.236 1.00 0.00 N ATOM 940 CA VAL A 60 4.199 8.681 9.102 1.00 0.00 C ATOM 941 C VAL A 60 5.042 9.283 10.229 1.00 0.00 C ATOM 942 O VAL A 60 5.207 10.500 10.304 1.00 0.00 O ATOM 943 CB VAL A 60 4.730 9.025 7.709 1.00 0.00 C ATOM 944 CG1 VAL A 60 6.226 8.720 7.603 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.942 8.289 6.625 1.00 0.00 C ATOM 0 H VAL A 60 2.713 10.012 9.744 1.00 0.00 H new ATOM 0 HA VAL A 60 4.255 7.597 9.198 1.00 0.00 H new ATOM 0 HB VAL A 60 4.594 10.095 7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.579 8.973 6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.771 9.310 8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.395 7.660 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.340 8.551 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.031 7.213 6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.892 8.577 6.679 1.00 0.00 H new ATOM 955 N PRO A 61 5.566 8.379 11.100 1.00 0.00 N ATOM 956 CA PRO A 61 6.388 8.808 12.219 1.00 0.00 C ATOM 957 C PRO A 61 7.785 9.218 11.748 1.00 0.00 C ATOM 958 O PRO A 61 8.152 8.978 10.599 1.00 0.00 O ATOM 959 CB PRO A 61 6.405 7.624 13.171 1.00 0.00 C ATOM 960 CG PRO A 61 5.984 6.419 12.345 1.00 0.00 C ATOM 961 CD PRO A 61 5.392 6.931 11.042 1.00 0.00 C ATOM 0 HA PRO A 61 5.994 9.695 12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.398 7.479 13.596 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.722 7.784 14.005 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.840 5.774 12.148 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.252 5.821 12.888 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.905 6.505 10.180 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.340 6.662 10.952 1.00 0.00 H new ATOM 969 N PRO A 62 8.546 9.845 12.685 1.00 0.00 N ATOM 970 CA PRO A 62 9.895 10.290 12.378 1.00 0.00 C ATOM 971 C PRO A 62 10.865 9.107 12.330 1.00 0.00 C ATOM 972 O PRO A 62 11.868 9.151 11.620 1.00 0.00 O ATOM 973 CB PRO A 62 10.235 11.294 13.467 1.00 0.00 C ATOM 974 CG PRO A 62 9.255 11.031 14.598 1.00 0.00 C ATOM 975 CD PRO A 62 8.144 10.145 14.056 1.00 0.00 C ATOM 0 HA PRO A 62 9.973 10.750 11.393 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.264 11.170 13.805 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.141 12.316 13.099 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.758 10.544 15.434 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.846 11.969 14.975 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.040 9.235 14.646 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.181 10.655 14.084 1.00 0.00 H new ATOM 983 N GLU A 63 10.531 8.079 13.096 1.00 0.00 N ATOM 984 CA GLU A 63 11.360 6.886 13.150 1.00 0.00 C ATOM 985 C GLU A 63 11.203 6.072 11.865 1.00 0.00 C ATOM 986 O GLU A 63 11.944 5.116 11.637 1.00 0.00 O ATOM 987 CB GLU A 63 11.024 6.041 14.380 1.00 0.00 C ATOM 988 CG GLU A 63 9.886 5.064 14.080 1.00 0.00 C ATOM 989 CD GLU A 63 9.342 4.442 15.368 1.00 0.00 C ATOM 990 OE1 GLU A 63 10.114 3.696 16.007 1.00 0.00 O ATOM 991 OE2 GLU A 63 8.167 4.728 15.684 1.00 0.00 O ATOM 0 H GLU A 63 9.698 8.047 13.684 1.00 0.00 H new ATOM 0 HA GLU A 63 12.402 7.194 13.236 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.908 5.488 14.698 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.740 6.692 15.207 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.084 5.584 13.556 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.243 4.278 13.415 1.00 0.00 H new ATOM 998 N LYS A 64 10.234 6.479 11.058 1.00 0.00 N ATOM 999 CA LYS A 64 9.971 5.799 9.802 1.00 0.00 C ATOM 1000 C LYS A 64 10.350 6.718 8.640 1.00 0.00 C ATOM 1001 O LYS A 64 10.697 6.246 7.558 1.00 0.00 O ATOM 1002 CB LYS A 64 8.522 5.310 9.751 1.00 0.00 C ATOM 1003 CG LYS A 64 8.241 4.310 10.875 1.00 0.00 C ATOM 1004 CD LYS A 64 8.969 2.987 10.627 1.00 0.00 C ATOM 1005 CE LYS A 64 7.990 1.897 10.187 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.585 0.556 10.385 1.00 0.00 N ATOM 0 H LYS A 64 9.621 7.272 11.250 1.00 0.00 H new ATOM 0 HA LYS A 64 10.589 4.905 9.717 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.844 6.159 9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.326 4.843 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.559 4.731 11.829 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.168 4.131 10.947 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.732 3.126 9.861 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.482 2.674 11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.065 1.979 10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.730 2.035 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.908 -0.173 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.455 0.476 9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.810 0.421 11.391 1.00 0.00 H new ATOM 1020 N LYS A 65 10.272 8.015 8.902 1.00 0.00 N ATOM 1021 CA LYS A 65 10.603 9.004 7.892 1.00 0.00 C ATOM 1022 C LYS A 65 11.818 8.526 7.094 1.00 0.00 C ATOM 1023 O LYS A 65 12.901 8.351 7.651 1.00 0.00 O ATOM 1024 CB LYS A 65 10.791 10.381 8.531 1.00 0.00 C ATOM 1025 CG LYS A 65 9.456 11.121 8.641 1.00 0.00 C ATOM 1026 CD LYS A 65 9.601 12.392 9.482 1.00 0.00 C ATOM 1027 CE LYS A 65 8.274 12.764 10.146 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.190 14.227 10.352 1.00 0.00 N ATOM 0 H LYS A 65 9.984 8.403 9.800 1.00 0.00 H new ATOM 0 HA LYS A 65 9.781 9.115 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.232 10.269 9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.489 10.970 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.096 11.379 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.709 10.466 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.364 12.242 10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.939 13.214 8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.443 12.430 9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.183 12.250 11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.283 14.462 10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.972 14.537 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.256 14.711 9.434 1.00 0.00 H new ATOM 1042 N PRO A 66 11.592 8.323 5.769 1.00 0.00 N ATOM 1043 CA PRO A 66 12.655 7.868 4.889 1.00 0.00 C ATOM 1044 C PRO A 66 13.636 9.002 4.583 1.00 0.00 C ATOM 1045 O PRO A 66 13.273 10.175 4.645 1.00 0.00 O ATOM 1046 CB PRO A 66 11.945 7.346 3.651 1.00 0.00 C ATOM 1047 CG PRO A 66 10.551 7.950 3.684 1.00 0.00 C ATOM 1048 CD PRO A 66 10.323 8.519 5.075 1.00 0.00 C ATOM 0 HA PRO A 66 13.268 7.087 5.339 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.476 7.637 2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 66 11.899 6.257 3.657 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.456 8.732 2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.801 7.193 3.453 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.054 9.574 5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.509 8.004 5.585 1.00 0.00 H new ATOM 1094 N ASN A 70 10.986 15.057 6.325 1.00 0.00 N ATOM 1095 CA ASN A 70 9.674 14.939 5.714 1.00 0.00 C ATOM 1096 C ASN A 70 9.564 13.586 5.008 1.00 0.00 C ATOM 1097 O ASN A 70 10.508 13.145 4.353 1.00 0.00 O ATOM 1098 CB ASN A 70 9.452 16.036 4.670 1.00 0.00 C ATOM 1099 CG ASN A 70 9.913 17.396 5.198 1.00 0.00 C ATOM 1100 OD1 ASN A 70 11.041 17.817 5.002 1.00 0.00 O ATOM 1101 ND2 ASN A 70 8.980 18.058 5.877 1.00 0.00 N ATOM 0 HA ASN A 70 8.926 15.033 6.501 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.998 15.792 3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.396 16.083 4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.190 18.976 6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.055 17.648 6.005 1.00 0.00 H new ATOM 1108 N PRO A 71 8.374 12.948 5.169 1.00 0.00 N ATOM 1109 CA PRO A 71 8.129 11.655 4.555 1.00 0.00 C ATOM 1110 C PRO A 71 7.888 11.798 3.051 1.00 0.00 C ATOM 1111 O PRO A 71 7.068 12.611 2.625 1.00 0.00 O ATOM 1112 CB PRO A 71 6.930 11.088 5.297 1.00 0.00 C ATOM 1113 CG PRO A 71 6.263 12.272 5.978 1.00 0.00 C ATOM 1114 CD PRO A 71 7.234 13.440 5.937 1.00 0.00 C ATOM 0 HA PRO A 71 8.984 10.984 4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.243 10.595 4.610 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.240 10.341 6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.333 12.530 5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.006 12.025 7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.784 14.312 5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.533 13.741 6.941 1.00 0.00 H new ATOM 1122 N LEU A 72 8.616 10.997 2.288 1.00 0.00 N ATOM 1123 CA LEU A 72 8.492 11.025 0.841 1.00 0.00 C ATOM 1124 C LEU A 72 8.001 9.662 0.349 1.00 0.00 C ATOM 1125 O LEU A 72 8.147 8.657 1.044 1.00 0.00 O ATOM 1126 CB LEU A 72 9.806 11.473 0.198 1.00 0.00 C ATOM 1127 CG LEU A 72 10.308 12.862 0.599 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.791 13.027 0.261 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.451 13.959 -0.035 1.00 0.00 C ATOM 0 H LEU A 72 9.294 10.324 2.645 1.00 0.00 H new ATOM 0 HA LEU A 72 7.748 11.762 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.577 10.744 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.684 11.451 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 72 10.210 12.962 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.123 14.022 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.372 12.277 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.936 12.899 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.829 14.936 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.494 13.872 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.418 13.852 0.297 1.00 0.00 H new ATOM 1141 N PRO A 73 7.414 9.670 -0.878 1.00 0.00 N ATOM 1142 CA PRO A 73 6.900 8.447 -1.470 1.00 0.00 C ATOM 1143 C PRO A 73 8.041 7.566 -1.985 1.00 0.00 C ATOM 1144 O PRO A 73 9.187 8.007 -2.054 1.00 0.00 O ATOM 1145 CB PRO A 73 5.962 8.908 -2.574 1.00 0.00 C ATOM 1146 CG PRO A 73 6.338 10.352 -2.864 1.00 0.00 C ATOM 1147 CD PRO A 73 7.223 10.840 -1.730 1.00 0.00 C ATOM 0 HA PRO A 73 6.371 7.822 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.073 8.289 -3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.921 8.831 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.863 10.426 -3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.444 10.971 -2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.175 11.216 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.751 11.656 -1.182 1.00 0.00 H new ATOM 1155 N PRO A 74 7.678 6.305 -2.341 1.00 0.00 N ATOM 1156 CA PRO A 74 6.298 5.863 -2.227 1.00 0.00 C ATOM 1157 C PRO A 74 5.927 5.595 -0.767 1.00 0.00 C ATOM 1158 O PRO A 74 6.801 5.376 0.069 1.00 0.00 O ATOM 1159 CB PRO A 74 6.209 4.622 -3.100 1.00 0.00 C ATOM 1160 CG PRO A 74 7.640 4.149 -3.298 1.00 0.00 C ATOM 1161 CD PRO A 74 8.567 5.270 -2.859 1.00 0.00 C ATOM 0 HA PRO A 74 5.586 6.619 -2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.605 3.851 -2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.737 4.850 -4.056 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.828 3.248 -2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.817 3.895 -4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.266 4.930 -2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.163 5.641 -3.693 1.00 0.00 H new ATOM 1169 N GLN A 75 4.628 5.621 -0.506 1.00 0.00 N ATOM 1170 CA GLN A 75 4.130 5.384 0.838 1.00 0.00 C ATOM 1171 C GLN A 75 2.854 4.542 0.790 1.00 0.00 C ATOM 1172 O GLN A 75 1.749 5.082 0.807 1.00 0.00 O ATOM 1173 CB GLN A 75 3.890 6.703 1.575 1.00 0.00 C ATOM 1174 CG GLN A 75 5.212 7.410 1.879 1.00 0.00 C ATOM 1175 CD GLN A 75 5.647 7.162 3.324 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.847 6.883 4.202 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.957 7.277 3.523 1.00 0.00 N ATOM 0 H GLN A 75 3.906 5.803 -1.203 1.00 0.00 H new ATOM 0 HA GLN A 75 4.887 4.830 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.257 7.352 0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.354 6.512 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.984 7.054 1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.104 8.481 1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.572 7.513 2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.346 7.129 4.454 1.00 0.00 H new ATOM 1186 N ILE A 76 3.048 3.233 0.731 1.00 0.00 N ATOM 1187 CA ILE A 76 1.926 2.311 0.681 1.00 0.00 C ATOM 1188 C ILE A 76 1.038 2.527 1.908 1.00 0.00 C ATOM 1189 O ILE A 76 1.539 2.757 3.008 1.00 0.00 O ATOM 1190 CB ILE A 76 2.422 0.872 0.527 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.115 0.672 -0.823 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.282 -0.127 0.739 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.634 0.609 -0.654 1.00 0.00 C ATOM 0 H ILE A 76 3.966 2.789 0.717 1.00 0.00 H new ATOM 0 HA ILE A 76 1.310 2.508 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 76 3.165 0.682 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.758 -0.248 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.854 1.490 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.662 -1.142 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.872 -0.004 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.499 0.053 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.103 0.466 -1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.990 1.540 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.893 -0.224 -0.001 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.264 2.446 1.678 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.226 2.630 2.751 1.00 0.00 C ATOM 1207 C PHE A 77 -2.530 1.887 2.452 1.00 0.00 C ATOM 1208 O PHE A 77 -3.292 2.292 1.576 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.516 4.130 2.839 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.541 4.901 3.730 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.509 4.664 5.069 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.295 5.824 3.184 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.397 5.379 5.896 1.00 0.00 C ATOM 1214 CE2 PHE A 77 1.201 6.540 4.010 1.00 0.00 C ATOM 1215 CZ PHE A 77 1.233 6.303 5.349 1.00 0.00 C ATOM 0 H PHE A 77 -0.675 2.255 0.764 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.822 2.238 3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.488 4.554 1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.528 4.272 3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.173 3.931 5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.270 6.013 2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.423 5.190 6.959 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.865 7.273 3.575 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.922 6.848 5.978 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.746 0.813 3.197 1.00 0.00 N ATOM 1226 CA ASN A 78 -3.944 0.010 3.023 1.00 0.00 C ATOM 1227 C ASN A 78 -5.101 0.654 3.790 1.00 0.00 C ATOM 1228 O ASN A 78 -5.255 0.431 4.990 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.744 -1.404 3.570 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.772 -2.371 2.981 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -5.971 -2.154 3.037 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.238 -3.449 2.413 1.00 0.00 N ATOM 0 H ASN A 78 -2.111 0.480 3.923 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.161 -0.043 1.956 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.738 -1.750 3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.831 -1.393 4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.841 -4.155 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.225 -3.570 2.400 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.883 1.441 3.066 1.00 0.00 N ATOM 1240 CA GLY A 79 -7.021 2.119 3.664 1.00 0.00 C ATOM 1241 C GLY A 79 -6.569 3.323 4.493 1.00 0.00 C ATOM 1242 O GLY A 79 -6.434 4.427 3.968 1.00 0.00 O ATOM 0 H GLY A 79 -5.751 1.624 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.705 2.448 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.572 1.423 4.297 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.346 3.068 5.774 1.00 0.00 N ATOM 1247 CA ASP A 80 -5.911 4.117 6.681 1.00 0.00 C ATOM 1248 C ASP A 80 -4.823 3.567 7.605 1.00 0.00 C ATOM 1249 O ASP A 80 -4.489 4.187 8.614 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.070 4.606 7.553 1.00 0.00 C ATOM 1251 CG ASP A 80 -7.720 3.531 8.426 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -7.720 2.363 7.982 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -8.203 3.902 9.518 1.00 0.00 O ATOM 0 H ASP A 80 -6.458 2.151 6.205 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.535 4.947 6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.707 5.406 8.198 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.834 5.039 6.907 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.300 2.410 7.228 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.256 1.770 8.010 1.00 0.00 C ATOM 1260 C ARG A 81 -1.909 1.885 7.293 1.00 0.00 C ATOM 1261 O ARG A 81 -1.807 1.587 6.104 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.574 0.293 8.249 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.455 -0.061 9.733 1.00 0.00 C ATOM 1264 CD ARG A 81 -3.410 -1.577 9.933 1.00 0.00 C ATOM 1265 NE ARG A 81 -4.434 -1.988 10.920 1.00 0.00 N ATOM 1266 CZ ARG A 81 -4.509 -3.212 11.460 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.620 -4.152 11.113 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -5.472 -3.495 12.348 1.00 0.00 N ATOM 0 H ARG A 81 -4.580 1.899 6.391 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.204 2.279 8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.583 0.073 7.899 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.892 -0.328 7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.554 0.391 10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.301 0.357 10.279 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.585 -2.083 8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.420 -1.878 10.277 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.126 -1.296 11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.886 -3.936 10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.677 -5.084 11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.148 -2.779 12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.529 -4.427 12.759 1.00 0.00 H new ATOM 1282 N TYR A 82 -0.909 2.319 8.047 1.00 0.00 N ATOM 1283 CA TYR A 82 0.427 2.477 7.498 1.00 0.00 C ATOM 1284 C TYR A 82 1.042 1.120 7.154 1.00 0.00 C ATOM 1285 O TYR A 82 1.228 0.278 8.031 1.00 0.00 O ATOM 1286 CB TYR A 82 1.259 3.137 8.599 1.00 0.00 C ATOM 1287 CG TYR A 82 2.684 3.497 8.172 1.00 0.00 C ATOM 1288 CD1 TYR A 82 3.012 3.537 6.832 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.639 3.781 9.126 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.353 3.876 6.429 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.980 4.119 8.723 1.00 0.00 C ATOM 1292 CZ TYR A 82 5.270 4.150 7.395 1.00 0.00 C ATOM 1293 OH TYR A 82 6.536 4.470 7.015 1.00 0.00 O ATOM 0 H TYR A 82 -0.997 2.566 9.033 1.00 0.00 H new ATOM 0 HA TYR A 82 0.399 3.069 6.583 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.751 4.042 8.931 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.306 2.465 9.456 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.264 3.314 6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.381 3.750 10.174 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.624 3.912 5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.738 4.343 9.459 1.00 0.00 H new ATOM 0 HH TYR A 82 6.758 5.368 7.340 1.00 0.00 H new ATOM 1303 N CYS A 83 1.342 0.949 5.874 1.00 0.00 N ATOM 1304 CA CYS A 83 1.933 -0.292 5.403 1.00 0.00 C ATOM 1305 C CYS A 83 3.451 -0.193 5.565 1.00 0.00 C ATOM 1306 O CYS A 83 4.037 -0.890 6.391 1.00 0.00 O ATOM 1307 CB CYS A 83 1.532 -0.597 3.958 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.196 -1.198 3.902 1.00 0.00 S ATOM 0 H CYS A 83 1.187 1.649 5.149 1.00 0.00 H new ATOM 0 HA CYS A 83 1.559 -1.125 5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.634 0.300 3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.201 -1.348 3.537 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.583 -1.291 2.665 1.00 0.00 H new ATOM 1314 N GLY A 84 4.044 0.679 4.763 1.00 0.00 N ATOM 1315 CA GLY A 84 5.483 0.879 4.807 1.00 0.00 C ATOM 1316 C GLY A 84 5.992 1.490 3.500 1.00 0.00 C ATOM 1317 O GLY A 84 5.358 1.346 2.456 1.00 0.00 O ATOM 0 H GLY A 84 3.554 1.255 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.738 1.532 5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.981 -0.074 4.985 1.00 0.00 H new ATOM 1321 N ASP A 85 7.131 2.158 3.602 1.00 0.00 N ATOM 1322 CA ASP A 85 7.733 2.792 2.441 1.00 0.00 C ATOM 1323 C ASP A 85 8.275 1.714 1.500 1.00 0.00 C ATOM 1324 O ASP A 85 8.118 0.522 1.760 1.00 0.00 O ATOM 1325 CB ASP A 85 8.899 3.694 2.848 1.00 0.00 C ATOM 1326 CG ASP A 85 10.131 2.958 3.379 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.928 1.995 4.149 1.00 0.00 O ATOM 1328 OD2 ASP A 85 11.248 3.376 3.004 1.00 0.00 O ATOM 0 H ASP A 85 7.653 2.274 4.470 1.00 0.00 H new ATOM 0 HA ASP A 85 6.967 3.393 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.195 4.291 1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.552 4.389 3.613 1.00 0.00 H new ATOM 1333 N TYR A 86 8.902 2.171 0.426 1.00 0.00 N ATOM 1334 CA TYR A 86 9.468 1.261 -0.554 1.00 0.00 C ATOM 1335 C TYR A 86 10.377 0.229 0.117 1.00 0.00 C ATOM 1336 O TYR A 86 10.381 -0.941 -0.265 1.00 0.00 O ATOM 1337 CB TYR A 86 10.307 2.125 -1.497 1.00 0.00 C ATOM 1338 CG TYR A 86 11.412 1.358 -2.227 1.00 0.00 C ATOM 1339 CD1 TYR A 86 12.645 1.191 -1.631 1.00 0.00 C ATOM 1340 CD2 TYR A 86 11.174 0.833 -3.481 1.00 0.00 C ATOM 1341 CE1 TYR A 86 13.685 0.469 -2.318 1.00 0.00 C ATOM 1342 CE2 TYR A 86 12.214 0.111 -4.168 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.418 -0.035 -3.553 1.00 0.00 C ATOM 1344 OH TYR A 86 14.399 -0.717 -4.202 1.00 0.00 O ATOM 0 H TYR A 86 9.030 3.160 0.213 1.00 0.00 H new ATOM 0 HA TYR A 86 8.679 0.719 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.649 2.584 -2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.759 2.936 -0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.830 1.602 -0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 86 10.208 0.963 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 86 14.655 0.331 -1.863 1.00 0.00 H new ATOM 0 HE2 TYR A 86 12.041 -0.305 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 86 14.356 -1.665 -3.957 1.00 0.00 H new ATOM 1354 N ASP A 87 11.125 0.699 1.104 1.00 0.00 N ATOM 1355 CA ASP A 87 12.036 -0.169 1.831 1.00 0.00 C ATOM 1356 C ASP A 87 11.272 -1.394 2.337 1.00 0.00 C ATOM 1357 O ASP A 87 11.698 -2.528 2.124 1.00 0.00 O ATOM 1358 CB ASP A 87 12.632 0.551 3.043 1.00 0.00 C ATOM 1359 CG ASP A 87 13.207 -0.369 4.123 1.00 0.00 C ATOM 1360 OD1 ASP A 87 12.388 -0.978 4.844 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.452 -0.442 4.202 1.00 0.00 O ATOM 0 H ASP A 87 11.119 1.670 1.418 1.00 0.00 H new ATOM 0 HA ASP A 87 12.839 -0.460 1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 87 13.421 1.219 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.860 1.175 3.492 1.00 0.00 H new ATOM 1366 N SER A 88 10.156 -1.124 2.999 1.00 0.00 N ATOM 1367 CA SER A 88 9.328 -2.190 3.537 1.00 0.00 C ATOM 1368 C SER A 88 8.903 -3.139 2.415 1.00 0.00 C ATOM 1369 O SER A 88 9.093 -4.350 2.516 1.00 0.00 O ATOM 1370 CB SER A 88 8.098 -1.626 4.250 1.00 0.00 C ATOM 1371 OG SER A 88 8.224 -1.694 5.667 1.00 0.00 O ATOM 0 H SER A 88 9.806 -0.182 3.175 1.00 0.00 H new ATOM 0 HA SER A 88 9.916 -2.743 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.948 -0.589 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.213 -2.180 3.938 1.00 0.00 H new ATOM 0 HG SER A 88 7.419 -1.323 6.085 1.00 0.00 H new ATOM 1377 N PHE A 89 8.335 -2.554 1.371 1.00 0.00 N ATOM 1378 CA PHE A 89 7.881 -3.332 0.231 1.00 0.00 C ATOM 1379 C PHE A 89 8.951 -4.333 -0.210 1.00 0.00 C ATOM 1380 O PHE A 89 8.716 -5.541 -0.202 1.00 0.00 O ATOM 1381 CB PHE A 89 7.621 -2.346 -0.910 1.00 0.00 C ATOM 1382 CG PHE A 89 7.151 -3.005 -2.207 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.923 -3.587 -2.268 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.960 -3.010 -3.300 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.486 -4.199 -3.473 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.523 -3.622 -4.505 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.295 -4.204 -4.565 1.00 0.00 C ATOM 0 H PHE A 89 8.179 -1.549 1.291 1.00 0.00 H new ATOM 0 HA PHE A 89 6.984 -3.892 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.870 -1.624 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.536 -1.787 -1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.280 -3.584 -1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.935 -2.548 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.511 -4.660 -3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.165 -3.625 -5.373 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.963 -4.670 -5.481 1.00 0.00 H new ATOM 1397 N PHE A 90 10.102 -3.795 -0.584 1.00 0.00 N ATOM 1398 CA PHE A 90 11.208 -4.626 -1.027 1.00 0.00 C ATOM 1399 C PHE A 90 11.532 -5.705 0.008 1.00 0.00 C ATOM 1400 O PHE A 90 11.594 -6.888 -0.323 1.00 0.00 O ATOM 1401 CB PHE A 90 12.422 -3.708 -1.186 1.00 0.00 C ATOM 1402 CG PHE A 90 13.564 -4.321 -1.999 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.324 -5.312 -1.463 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.818 -3.874 -3.258 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.384 -5.881 -2.218 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.878 -4.443 -4.013 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.638 -5.434 -3.477 1.00 0.00 C ATOM 0 H PHE A 90 10.293 -2.793 -0.589 1.00 0.00 H new ATOM 0 HA PHE A 90 10.948 -5.123 -1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.104 -2.782 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.796 -3.442 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.122 -5.667 -0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.214 -3.086 -3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 90 15.988 -6.669 -1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.080 -4.088 -5.013 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.444 -5.867 -4.051 1.00 0.00 H new ATOM 1417 N GLU A 91 11.731 -5.258 1.239 1.00 0.00 N ATOM 1418 CA GLU A 91 12.047 -6.171 2.324 1.00 0.00 C ATOM 1419 C GLU A 91 11.101 -7.374 2.299 1.00 0.00 C ATOM 1420 O GLU A 91 11.546 -8.520 2.341 1.00 0.00 O ATOM 1421 CB GLU A 91 11.989 -5.457 3.676 1.00 0.00 C ATOM 1422 CG GLU A 91 13.383 -5.351 4.300 1.00 0.00 C ATOM 1423 CD GLU A 91 13.915 -6.731 4.691 1.00 0.00 C ATOM 1424 OE1 GLU A 91 14.368 -7.446 3.771 1.00 0.00 O ATOM 1425 OE2 GLU A 91 13.856 -7.040 5.901 1.00 0.00 O ATOM 0 H GLU A 91 11.680 -4.276 1.509 1.00 0.00 H new ATOM 0 HA GLU A 91 13.066 -6.532 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.567 -4.460 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.325 -5.999 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.067 -4.881 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.343 -4.710 5.180 1.00 0.00 H new ATOM 1432 N SER A 92 9.813 -7.071 2.231 1.00 0.00 N ATOM 1433 CA SER A 92 8.800 -8.113 2.199 1.00 0.00 C ATOM 1434 C SER A 92 8.831 -8.833 0.849 1.00 0.00 C ATOM 1435 O SER A 92 8.424 -9.989 0.749 1.00 0.00 O ATOM 1436 CB SER A 92 7.408 -7.536 2.461 1.00 0.00 C ATOM 1437 OG SER A 92 7.059 -7.587 3.842 1.00 0.00 O ATOM 0 H SER A 92 9.447 -6.119 2.197 1.00 0.00 H new ATOM 0 HA SER A 92 9.022 -8.829 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.373 -6.502 2.116 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.671 -8.090 1.880 1.00 0.00 H new ATOM 0 HG SER A 92 6.920 -8.519 4.110 1.00 0.00 H new ATOM 1443 N LYS A 93 9.319 -8.119 -0.154 1.00 0.00 N ATOM 1444 CA LYS A 93 9.409 -8.675 -1.494 1.00 0.00 C ATOM 1445 C LYS A 93 10.351 -9.880 -1.479 1.00 0.00 C ATOM 1446 O LYS A 93 10.017 -10.940 -2.007 1.00 0.00 O ATOM 1447 CB LYS A 93 9.810 -7.592 -2.498 1.00 0.00 C ATOM 1448 CG LYS A 93 9.093 -7.790 -3.835 1.00 0.00 C ATOM 1449 CD LYS A 93 8.799 -6.446 -4.504 1.00 0.00 C ATOM 1450 CE LYS A 93 10.091 -5.667 -4.759 1.00 0.00 C ATOM 1451 NZ LYS A 93 10.793 -6.202 -5.947 1.00 0.00 N ATOM 0 H LYS A 93 9.656 -7.160 -0.066 1.00 0.00 H new ATOM 0 HA LYS A 93 8.435 -9.036 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.568 -6.609 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.889 -7.616 -2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.709 -8.402 -4.495 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.161 -8.332 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.278 -6.611 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.134 -5.858 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.863 -4.612 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.740 -5.732 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.668 -5.662 -6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.028 -7.203 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.178 -6.117 -6.781 1.00 0.00 H new ATOM 1465 N GLU A 94 11.510 -9.677 -0.869 1.00 0.00 N ATOM 1466 CA GLU A 94 12.503 -10.734 -0.779 1.00 0.00 C ATOM 1467 C GLU A 94 11.926 -11.943 -0.040 1.00 0.00 C ATOM 1468 O GLU A 94 12.345 -13.076 -0.273 1.00 0.00 O ATOM 1469 CB GLU A 94 13.777 -10.232 -0.098 1.00 0.00 C ATOM 1470 CG GLU A 94 14.452 -9.142 -0.933 1.00 0.00 C ATOM 1471 CD GLU A 94 15.938 -9.028 -0.587 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.244 -9.066 0.624 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.735 -8.905 -1.542 1.00 0.00 O ATOM 0 H GLU A 94 11.783 -8.797 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 94 12.768 -11.044 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.535 -9.841 0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.467 -11.063 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.338 -9.368 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.959 -8.186 -0.756 1.00 0.00 H new ATOM 1480 N SER A 95 10.973 -11.661 0.837 1.00 0.00 N ATOM 1481 CA SER A 95 10.334 -12.711 1.612 1.00 0.00 C ATOM 1482 C SER A 95 8.973 -13.056 1.004 1.00 0.00 C ATOM 1483 O SER A 95 8.209 -13.827 1.581 1.00 0.00 O ATOM 1484 CB SER A 95 10.171 -12.294 3.075 1.00 0.00 C ATOM 1485 OG SER A 95 9.723 -13.373 3.891 1.00 0.00 O ATOM 0 H SER A 95 10.628 -10.720 1.028 1.00 0.00 H new ATOM 0 HA SER A 95 10.972 -13.594 1.583 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.123 -11.924 3.455 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.460 -11.471 3.140 1.00 0.00 H new ATOM 0 HG SER A 95 9.070 -13.909 3.395 1.00 0.00 H new ATOM 1491 N ASN A 96 8.712 -12.467 -0.154 1.00 0.00 N ATOM 1492 CA ASN A 96 7.457 -12.703 -0.847 1.00 0.00 C ATOM 1493 C ASN A 96 6.296 -12.518 0.133 1.00 0.00 C ATOM 1494 O ASN A 96 5.497 -13.432 0.334 1.00 0.00 O ATOM 1495 CB ASN A 96 7.390 -14.129 -1.396 1.00 0.00 C ATOM 1496 CG ASN A 96 8.325 -14.300 -2.595 1.00 0.00 C ATOM 1497 OD1 ASN A 96 8.475 -13.421 -3.428 1.00 0.00 O ATOM 1498 ND2 ASN A 96 8.943 -15.476 -2.635 1.00 0.00 N ATOM 0 H ASN A 96 9.348 -11.827 -0.630 1.00 0.00 H new ATOM 0 HA ASN A 96 7.390 -11.996 -1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.663 -14.837 -0.613 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.367 -14.361 -1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.589 -15.687 -3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.772 -16.167 -1.905 1.00 0.00 H new ATOM 1505 N THR A 97 6.240 -11.330 0.717 1.00 0.00 N ATOM 1506 CA THR A 97 5.190 -11.014 1.671 1.00 0.00 C ATOM 1507 C THR A 97 4.495 -9.707 1.286 1.00 0.00 C ATOM 1508 O THR A 97 3.613 -9.234 2.001 1.00 0.00 O ATOM 1509 CB THR A 97 5.815 -10.982 3.067 1.00 0.00 C ATOM 1510 OG1 THR A 97 6.869 -10.029 2.954 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.529 -12.288 3.420 1.00 0.00 C ATOM 0 H THR A 97 6.904 -10.575 0.548 1.00 0.00 H new ATOM 0 HA THR A 97 4.409 -11.774 1.666 1.00 0.00 H new ATOM 0 HB THR A 97 5.040 -10.782 3.807 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.549 -10.365 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.954 -12.211 4.421 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.816 -13.112 3.391 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.326 -12.473 2.700 1.00 0.00 H new ATOM 1519 N VAL A 98 4.919 -9.159 0.156 1.00 0.00 N ATOM 1520 CA VAL A 98 4.348 -7.916 -0.333 1.00 0.00 C ATOM 1521 C VAL A 98 2.846 -7.901 -0.044 1.00 0.00 C ATOM 1522 O VAL A 98 2.338 -6.962 0.568 1.00 0.00 O ATOM 1523 CB VAL A 98 4.673 -7.739 -1.818 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.676 -6.791 -2.488 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.110 -7.250 -2.011 1.00 0.00 C ATOM 0 H VAL A 98 5.651 -9.553 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 98 4.787 -7.064 0.186 1.00 0.00 H new ATOM 0 HB VAL A 98 4.584 -8.713 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.929 -6.682 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.669 -7.198 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.718 -5.816 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.315 -7.133 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.239 -6.291 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.802 -7.977 -1.587 1.00 0.00 H new ATOM 1535 N PHE A 99 2.178 -8.951 -0.497 1.00 0.00 N ATOM 1536 CA PHE A 99 0.744 -9.070 -0.295 1.00 0.00 C ATOM 1537 C PHE A 99 0.372 -8.804 1.166 1.00 0.00 C ATOM 1538 O PHE A 99 -0.508 -7.993 1.448 1.00 0.00 O ATOM 1539 CB PHE A 99 0.359 -10.507 -0.653 1.00 0.00 C ATOM 1540 CG PHE A 99 0.246 -10.764 -2.157 1.00 0.00 C ATOM 1541 CD1 PHE A 99 -0.941 -10.569 -2.793 1.00 0.00 C ATOM 1542 CD2 PHE A 99 1.332 -11.187 -2.858 1.00 0.00 C ATOM 1543 CE1 PHE A 99 -1.046 -10.808 -4.189 1.00 0.00 C ATOM 1544 CE2 PHE A 99 1.227 -11.426 -4.254 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.040 -11.232 -4.890 1.00 0.00 C ATOM 0 H PHE A 99 2.603 -9.728 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 99 0.220 -8.342 -0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.101 -11.186 -0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.594 -10.745 -0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.803 -10.233 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.274 -11.341 -2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.988 -10.653 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.089 -11.762 -4.811 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.040 -11.415 -5.951 1.00 0.00 H new ATOM 1555 N SER A 100 1.062 -9.504 2.055 1.00 0.00 N ATOM 1556 CA SER A 100 0.815 -9.354 3.479 1.00 0.00 C ATOM 1557 C SER A 100 1.286 -7.976 3.949 1.00 0.00 C ATOM 1558 O SER A 100 0.594 -7.307 4.715 1.00 0.00 O ATOM 1559 CB SER A 100 1.515 -10.455 4.278 1.00 0.00 C ATOM 1560 OG SER A 100 0.808 -10.780 5.471 1.00 0.00 O ATOM 0 H SER A 100 1.791 -10.176 1.817 1.00 0.00 H new ATOM 0 HA SER A 100 -0.258 -9.443 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.611 -11.347 3.659 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.525 -10.133 4.531 1.00 0.00 H new ATOM 0 HG SER A 100 1.286 -11.488 5.952 1.00 0.00 H new ATOM 1566 N PHE A 101 2.461 -7.592 3.471 1.00 0.00 N ATOM 1567 CA PHE A 101 3.032 -6.306 3.833 1.00 0.00 C ATOM 1568 C PHE A 101 2.010 -5.182 3.654 1.00 0.00 C ATOM 1569 O PHE A 101 1.934 -4.270 4.476 1.00 0.00 O ATOM 1570 CB PHE A 101 4.212 -6.060 2.891 1.00 0.00 C ATOM 1571 CG PHE A 101 4.536 -4.581 2.672 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.616 -3.738 3.736 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.744 -4.109 1.413 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.916 -2.365 3.533 1.00 0.00 C ATOM 1575 CE2 PHE A 101 5.045 -2.737 1.210 1.00 0.00 C ATOM 1576 CZ PHE A 101 5.124 -1.893 2.274 1.00 0.00 C ATOM 0 H PHE A 101 3.033 -8.149 2.836 1.00 0.00 H new ATOM 0 HA PHE A 101 3.341 -6.317 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.094 -6.559 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.996 -6.521 1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.451 -4.113 4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.680 -4.778 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.979 -1.695 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.211 -2.363 0.211 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.352 -0.849 2.119 1.00 0.00 H new ATOM 1586 N LEU A 102 1.248 -5.285 2.575 1.00 0.00 N ATOM 1587 CA LEU A 102 0.233 -4.288 2.278 1.00 0.00 C ATOM 1588 C LEU A 102 -1.052 -4.634 3.033 1.00 0.00 C ATOM 1589 O LEU A 102 -1.897 -3.769 3.257 1.00 0.00 O ATOM 1590 CB LEU A 102 0.040 -4.153 0.766 1.00 0.00 C ATOM 1591 CG LEU A 102 1.302 -4.303 -0.087 1.00 0.00 C ATOM 1592 CD1 LEU A 102 1.039 -5.192 -1.304 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.859 -2.935 -0.486 1.00 0.00 C ATOM 0 H LEU A 102 1.313 -6.043 1.896 1.00 0.00 H new ATOM 0 HA LEU A 102 0.552 -3.305 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.684 -4.902 0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.399 -3.177 0.561 1.00 0.00 H new ATOM 0 HG LEU A 102 2.064 -4.798 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.952 -5.282 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.723 -6.181 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.254 -4.748 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.755 -3.070 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.110 -2.391 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.109 -2.368 0.411 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.159 -5.901 3.405 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.326 -6.372 4.130 1.00 0.00 C ATOM 1607 C GLY A 103 -3.329 -7.036 3.184 1.00 0.00 C ATOM 1608 O GLY A 103 -4.517 -6.719 3.211 1.00 0.00 O ATOM 0 H GLY A 103 -0.456 -6.616 3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.019 -7.083 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.802 -5.536 4.642 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.813 -7.944 2.369 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.648 -8.655 1.416 1.00 0.00 C ATOM 1614 C LEU A 104 -3.804 -10.109 1.866 1.00 0.00 C ATOM 1615 O LEU A 104 -4.503 -10.390 2.838 1.00 0.00 O ATOM 1616 CB LEU A 104 -3.090 -8.506 -0.001 1.00 0.00 C ATOM 1617 CG LEU A 104 -3.025 -7.079 -0.550 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -2.208 -7.025 -1.842 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.429 -6.499 -0.735 1.00 0.00 C ATOM 0 H LEU A 104 -1.827 -8.204 2.349 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.647 -8.221 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.085 -8.928 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.701 -9.106 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.512 -6.455 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.178 -6.000 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.193 -7.370 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.670 -7.667 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.355 -5.484 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.989 -7.118 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.945 -6.481 0.225 1.00 0.00 H new