USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 75 HIS : no HD1:sc= -0.889 X(o=-0.89,f=-1.4) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 168:sc=-0.000469 (180deg=-0.134) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 140:sc= 0.474 USER MOD Single : A 18 LYS NZ :NH3+ -123:sc= -0.0366 (180deg=-0.58) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -0.273 (180deg=-1.06) USER MOD Single : A 26 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-7.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.87 K(o=-1.9,f=-3.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -59:sc= 0.867 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.59! C(o=-2.6!,f=-3.5!) USER MOD Single : A 57 THR OG1 : rot 90:sc= -1.45! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 24:sc= 0.133 USER MOD Single : A 69 LYS NZ :NH3+ -157:sc= 1.13 (180deg=0.668) USER MOD Single : A 72 GLN : amide:sc= -0.468 K(o=-0.47,f=-1.3) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 90 SER OG : rot 61:sc= 0.373 USER MOD Single : A 91 THR OG1 : rot -98:sc= -2.11 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.496 F(o=-1.6,f=-0.5) USER MOD Single : A 99 GLN : amide:sc= 0.638 K(o=0.64,f=-1.2) USER MOD Single : A 102 THR OG1 : rot -11:sc= -0.179 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -7.215 -0.124 5.817 1.00 0.00 N ATOM 92 CA MET A 10 -5.948 0.497 6.163 1.00 0.00 C ATOM 93 C MET A 10 -6.077 2.021 6.205 1.00 0.00 C ATOM 94 O MET A 10 -6.763 2.613 5.372 1.00 0.00 O ATOM 95 CB MET A 10 -4.888 0.103 5.132 1.00 0.00 C ATOM 96 CG MET A 10 -3.505 0.002 5.779 1.00 0.00 C ATOM 97 SD MET A 10 -3.470 -1.355 6.938 1.00 0.00 S ATOM 98 CE MET A 10 -2.249 -0.748 8.089 1.00 0.00 C ATOM 0 HA MET A 10 -5.653 0.149 7.153 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.153 -0.853 4.680 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.865 0.840 4.329 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.745 -0.145 5.011 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.265 0.934 6.291 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.256 -1.367 8.986 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.262 -0.788 7.628 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.482 0.282 8.357 1.00 0.00 H new ATOM 108 N SER A 11 -5.408 2.613 7.183 1.00 0.00 N ATOM 109 CA SER A 11 -5.440 4.057 7.345 1.00 0.00 C ATOM 110 C SER A 11 -4.392 4.492 8.371 1.00 0.00 C ATOM 111 O SER A 11 -4.250 3.867 9.421 1.00 0.00 O ATOM 112 CB SER A 11 -6.830 4.533 7.771 1.00 0.00 C ATOM 113 OG SER A 11 -7.143 4.140 9.104 1.00 0.00 O ATOM 0 H SER A 11 -4.840 2.119 7.872 1.00 0.00 H new ATOM 0 HA SER A 11 -5.209 4.514 6.383 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.882 5.619 7.692 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.577 4.128 7.089 1.00 0.00 H new ATOM 0 HG SER A 11 -8.037 4.464 9.339 1.00 0.00 H new ATOM 119 N GLY A 12 -3.685 5.560 8.031 1.00 0.00 N ATOM 120 CA GLY A 12 -2.654 6.085 8.910 1.00 0.00 C ATOM 121 C GLY A 12 -1.755 7.077 8.169 1.00 0.00 C ATOM 122 O GLY A 12 -1.563 6.962 6.960 1.00 0.00 O ATOM 0 H GLY A 12 -3.806 6.076 7.159 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.116 6.577 9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.052 5.265 9.301 1.00 0.00 H new ATOM 126 N TYR A 13 -1.227 8.028 8.926 1.00 0.00 N ATOM 127 CA TYR A 13 -0.353 9.038 8.356 1.00 0.00 C ATOM 128 C TYR A 13 0.941 8.412 7.832 1.00 0.00 C ATOM 129 O TYR A 13 1.607 7.664 8.547 1.00 0.00 O ATOM 130 CB TYR A 13 -0.014 9.996 9.500 1.00 0.00 C ATOM 131 CG TYR A 13 -1.169 10.914 9.906 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.495 12.002 9.122 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.885 10.654 11.057 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.583 12.865 9.504 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.973 11.517 11.439 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.268 12.580 10.644 1.00 0.00 C ATOM 137 OH TYR A 13 -4.294 13.395 11.004 1.00 0.00 O ATOM 0 H TYR A 13 -1.388 8.120 9.929 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.841 9.540 7.520 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.296 9.414 10.368 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.838 10.609 9.206 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.934 12.206 8.222 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.629 9.803 11.671 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.849 13.719 8.899 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.542 11.324 12.337 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.693 13.070 11.838 1.00 0.00 H new ATOM 147 N LEU A 14 1.257 8.740 6.588 1.00 0.00 N ATOM 148 CA LEU A 14 2.459 8.218 5.959 1.00 0.00 C ATOM 149 C LEU A 14 3.253 9.375 5.348 1.00 0.00 C ATOM 150 O LEU A 14 2.676 10.386 4.950 1.00 0.00 O ATOM 151 CB LEU A 14 2.106 7.118 4.957 1.00 0.00 C ATOM 152 CG LEU A 14 1.588 5.808 5.554 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.971 4.919 4.472 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.691 5.085 6.330 1.00 0.00 C ATOM 0 H LEU A 14 0.702 9.360 5.999 1.00 0.00 H new ATOM 0 HA LEU A 14 3.102 7.746 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.351 7.506 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.992 6.898 4.362 1.00 0.00 H new ATOM 0 HG LEU A 14 0.797 6.046 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.611 3.994 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.138 5.442 4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.724 4.686 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.296 4.157 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.520 4.859 5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.044 5.723 7.141 1.00 0.00 H new ATOM 166 N TYR A 15 4.564 9.188 5.294 1.00 0.00 N ATOM 167 CA TYR A 15 5.442 10.203 4.739 1.00 0.00 C ATOM 168 C TYR A 15 5.790 9.889 3.282 1.00 0.00 C ATOM 169 O TYR A 15 6.384 8.851 2.991 1.00 0.00 O ATOM 170 CB TYR A 15 6.721 10.158 5.577 1.00 0.00 C ATOM 171 CG TYR A 15 6.535 10.627 7.022 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.819 11.776 7.287 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.083 9.900 8.059 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.643 12.217 8.647 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.907 10.341 9.418 1.00 0.00 C ATOM 176 CZ TYR A 15 6.196 11.478 9.645 1.00 0.00 C ATOM 177 OH TYR A 15 6.031 11.894 10.929 1.00 0.00 O ATOM 0 H TYR A 15 5.039 8.348 5.626 1.00 0.00 H new ATOM 0 HA TYR A 15 4.961 11.181 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.103 9.137 5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.479 10.779 5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.391 12.345 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.644 9.001 7.851 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.084 13.114 8.869 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.330 9.781 10.239 1.00 0.00 H new ATOM 0 HH TYR A 15 6.479 11.268 11.536 1.00 0.00 H new ATOM 187 N ARG A 16 5.407 10.805 2.405 1.00 0.00 N ATOM 188 CA ARG A 16 5.671 10.639 0.986 1.00 0.00 C ATOM 189 C ARG A 16 7.010 11.280 0.617 1.00 0.00 C ATOM 190 O ARG A 16 7.319 12.383 1.066 1.00 0.00 O ATOM 191 CB ARG A 16 4.561 11.270 0.142 1.00 0.00 C ATOM 192 CG ARG A 16 4.745 10.939 -1.341 1.00 0.00 C ATOM 193 CD ARG A 16 3.393 10.807 -2.045 1.00 0.00 C ATOM 194 NE ARG A 16 2.897 12.144 -2.442 1.00 0.00 N ATOM 195 CZ ARG A 16 1.815 12.347 -3.206 1.00 0.00 C ATOM 196 NH1 ARG A 16 1.109 11.302 -3.660 1.00 0.00 N ATOM 197 NH2 ARG A 16 1.439 13.595 -3.517 1.00 0.00 N ATOM 0 H ARG A 16 4.916 11.665 2.650 1.00 0.00 H new ATOM 0 HA ARG A 16 5.707 9.570 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.591 10.908 0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.564 12.351 0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.334 11.720 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.305 10.009 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.492 10.171 -2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.674 10.325 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 16 3.411 12.962 -2.114 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.395 10.352 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.285 11.457 -4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.976 14.390 -3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.615 13.750 -4.099 1.00 0.00 H new ATOM 211 N SER A 17 7.769 10.562 -0.198 1.00 0.00 N ATOM 212 CA SER A 17 9.068 11.047 -0.633 1.00 0.00 C ATOM 213 C SER A 17 9.463 10.376 -1.950 1.00 0.00 C ATOM 214 O SER A 17 9.358 9.158 -2.086 1.00 0.00 O ATOM 215 CB SER A 17 10.135 10.794 0.433 1.00 0.00 C ATOM 216 OG SER A 17 10.307 11.916 1.294 1.00 0.00 O ATOM 0 H SER A 17 7.509 9.648 -0.569 1.00 0.00 H new ATOM 0 HA SER A 17 8.997 12.123 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.856 9.922 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.083 10.560 -0.051 1.00 0.00 H new ATOM 0 HG SER A 17 10.422 11.606 2.216 1.00 0.00 H new ATOM 222 N LYS A 18 9.910 11.201 -2.886 1.00 0.00 N ATOM 223 CA LYS A 18 10.322 10.702 -4.187 1.00 0.00 C ATOM 224 C LYS A 18 11.504 9.746 -4.012 1.00 0.00 C ATOM 225 O LYS A 18 11.610 8.748 -4.723 1.00 0.00 O ATOM 226 CB LYS A 18 10.606 11.864 -5.141 1.00 0.00 C ATOM 227 CG LYS A 18 9.311 12.402 -5.752 1.00 0.00 C ATOM 228 CD LYS A 18 8.897 13.718 -5.091 1.00 0.00 C ATOM 229 CE LYS A 18 9.694 14.893 -5.663 1.00 0.00 C ATOM 230 NZ LYS A 18 10.041 15.853 -4.592 1.00 0.00 N ATOM 0 H LYS A 18 9.996 12.211 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 18 9.516 10.131 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.118 12.663 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.276 11.532 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.446 12.556 -6.823 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.516 11.666 -5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.831 13.887 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.057 13.655 -4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.603 14.526 -6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.110 15.395 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.672 16.794 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.620 15.539 -3.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.075 15.902 -4.491 1.00 0.00 H new ATOM 244 N GLY A 19 12.362 10.086 -3.061 1.00 0.00 N ATOM 245 CA GLY A 19 13.532 9.271 -2.784 1.00 0.00 C ATOM 246 C GLY A 19 13.927 9.362 -1.308 1.00 0.00 C ATOM 247 O GLY A 19 13.131 9.792 -0.475 1.00 0.00 O ATOM 0 H GLY A 19 12.270 10.914 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.327 8.233 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.364 9.599 -3.408 1.00 0.00 H new ATOM 251 N SER A 20 15.155 8.951 -1.031 1.00 0.00 N ATOM 252 CA SER A 20 15.665 8.982 0.330 1.00 0.00 C ATOM 253 C SER A 20 16.252 10.361 0.638 1.00 0.00 C ATOM 254 O SER A 20 16.105 10.868 1.749 1.00 0.00 O ATOM 255 CB SER A 20 16.720 7.895 0.547 1.00 0.00 C ATOM 256 OG SER A 20 16.134 6.643 0.893 1.00 0.00 O ATOM 0 H SER A 20 15.812 8.595 -1.725 1.00 0.00 H new ATOM 0 HA SER A 20 14.836 8.787 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.313 7.779 -0.360 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.404 8.206 1.337 1.00 0.00 H new ATOM 0 HG SER A 20 16.840 5.976 1.021 1.00 0.00 H new ATOM 262 N LYS A 21 16.905 10.928 -0.366 1.00 0.00 N ATOM 263 CA LYS A 21 17.515 12.239 -0.216 1.00 0.00 C ATOM 264 C LYS A 21 16.472 13.318 -0.509 1.00 0.00 C ATOM 265 O LYS A 21 16.779 14.328 -1.140 1.00 0.00 O ATOM 266 CB LYS A 21 18.772 12.347 -1.082 1.00 0.00 C ATOM 267 CG LYS A 21 19.810 11.299 -0.675 1.00 0.00 C ATOM 268 CD LYS A 21 21.158 11.954 -0.364 1.00 0.00 C ATOM 269 CE LYS A 21 21.809 12.498 -1.637 1.00 0.00 C ATOM 270 NZ LYS A 21 22.490 11.412 -2.377 1.00 0.00 N ATOM 0 H LYS A 21 17.025 10.504 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 21 17.849 12.389 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.508 12.214 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.200 13.345 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.457 10.753 0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.932 10.572 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.016 12.764 0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.820 11.227 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 21 21.052 12.959 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.527 13.277 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 22.926 11.799 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.226 10.991 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 21.797 10.682 -2.638 1.00 0.00 H new ATOM 284 N LYS A 22 15.259 13.069 -0.036 1.00 0.00 N ATOM 285 CA LYS A 22 14.169 14.007 -0.239 1.00 0.00 C ATOM 286 C LYS A 22 13.483 14.283 1.100 1.00 0.00 C ATOM 287 O LYS A 22 13.543 13.461 2.013 1.00 0.00 O ATOM 288 CB LYS A 22 13.218 13.497 -1.324 1.00 0.00 C ATOM 289 CG LYS A 22 13.897 13.500 -2.695 1.00 0.00 C ATOM 290 CD LYS A 22 13.106 14.344 -3.697 1.00 0.00 C ATOM 291 CE LYS A 22 13.521 14.021 -5.133 1.00 0.00 C ATOM 292 NZ LYS A 22 13.716 15.267 -5.909 1.00 0.00 N ATOM 0 H LYS A 22 15.008 12.230 0.487 1.00 0.00 H new ATOM 0 HA LYS A 22 14.550 14.960 -0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.890 12.487 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.326 14.123 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.909 13.893 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.984 12.478 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.039 14.158 -3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.271 15.403 -3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.443 13.440 -5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.758 13.405 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.997 15.030 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.827 15.807 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.460 15.841 -5.463 1.00 0.00 H new ATOM 306 N PRO A 23 12.829 15.473 1.177 1.00 0.00 N ATOM 307 CA PRO A 23 12.132 15.867 2.389 1.00 0.00 C ATOM 308 C PRO A 23 10.819 15.097 2.542 1.00 0.00 C ATOM 309 O PRO A 23 9.977 15.113 1.645 1.00 0.00 O ATOM 310 CB PRO A 23 11.928 17.368 2.255 1.00 0.00 C ATOM 311 CG PRO A 23 12.099 17.681 0.778 1.00 0.00 C ATOM 312 CD PRO A 23 12.736 16.471 0.115 1.00 0.00 C ATOM 0 HA PRO A 23 12.695 15.634 3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.938 17.660 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.653 17.916 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.135 17.903 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.725 18.563 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.130 16.110 -0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.719 16.712 -0.289 1.00 0.00 H new ATOM 320 N TRP A 24 10.685 14.440 3.685 1.00 0.00 N ATOM 321 CA TRP A 24 9.489 13.665 3.967 1.00 0.00 C ATOM 322 C TRP A 24 8.316 14.638 4.103 1.00 0.00 C ATOM 323 O TRP A 24 8.439 15.677 4.749 1.00 0.00 O ATOM 324 CB TRP A 24 9.684 12.787 5.205 1.00 0.00 C ATOM 325 CG TRP A 24 10.778 11.728 5.051 1.00 0.00 C ATOM 326 CD1 TRP A 24 12.022 11.749 5.549 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.674 10.484 4.328 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.725 10.614 5.200 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.880 9.820 4.434 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.598 9.937 3.607 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.123 8.574 3.845 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.857 8.691 3.024 1.00 0.00 C ATOM 333 CH2 TRP A 24 11.065 8.010 3.122 1.00 0.00 C ATOM 0 H TRP A 24 11.385 14.429 4.427 1.00 0.00 H new ATOM 0 HA TRP A 24 9.276 12.975 3.151 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.927 13.424 6.055 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.742 12.290 5.438 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.424 12.553 6.148 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.688 10.398 5.457 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.646 10.439 3.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.075 8.074 3.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.063 8.226 2.459 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.187 7.050 2.642 1.00 0.00 H new ATOM 344 N LYS A 25 7.205 14.266 3.484 1.00 0.00 N ATOM 345 CA LYS A 25 6.011 15.092 3.527 1.00 0.00 C ATOM 346 C LYS A 25 4.899 14.337 4.257 1.00 0.00 C ATOM 347 O LYS A 25 4.508 13.247 3.841 1.00 0.00 O ATOM 348 CB LYS A 25 5.624 15.549 2.119 1.00 0.00 C ATOM 349 CG LYS A 25 6.265 16.897 1.783 1.00 0.00 C ATOM 350 CD LYS A 25 7.514 16.710 0.920 1.00 0.00 C ATOM 351 CE LYS A 25 7.476 17.625 -0.305 1.00 0.00 C ATOM 352 NZ LYS A 25 8.726 18.410 -0.406 1.00 0.00 N ATOM 0 H LYS A 25 7.107 13.403 2.950 1.00 0.00 H new ATOM 0 HA LYS A 25 6.200 16.005 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.939 14.801 1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.540 15.630 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.546 17.525 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.529 17.418 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.404 16.925 1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.587 15.671 0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.341 17.029 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.622 18.298 -0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.537 19.301 -0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.083 18.619 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.439 17.862 -0.929 1.00 0.00 H new ATOM 366 N HIS A 26 4.421 14.945 5.332 1.00 0.00 N ATOM 367 CA HIS A 26 3.361 14.343 6.123 1.00 0.00 C ATOM 368 C HIS A 26 2.043 14.407 5.349 1.00 0.00 C ATOM 369 O HIS A 26 1.574 15.490 5.003 1.00 0.00 O ATOM 370 CB HIS A 26 3.272 15.001 7.502 1.00 0.00 C ATOM 371 CG HIS A 26 2.162 14.459 8.370 1.00 0.00 C ATOM 372 ND1 HIS A 26 0.972 15.136 8.576 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.072 13.299 9.082 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.209 14.407 9.377 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.893 13.269 9.691 1.00 0.00 N ATOM 0 H HIS A 26 4.748 15.849 5.674 1.00 0.00 H new ATOM 0 HA HIS A 26 3.587 13.291 6.300 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.222 14.867 8.019 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.128 16.074 7.373 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.832 12.534 9.140 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.781 14.668 9.721 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.554 12.519 10.294 1.00 0.00 H new ATOM 383 N LEU A 27 1.482 13.232 5.101 1.00 0.00 N ATOM 384 CA LEU A 27 0.227 13.141 4.374 1.00 0.00 C ATOM 385 C LEU A 27 -0.622 12.017 4.971 1.00 0.00 C ATOM 386 O LEU A 27 -0.134 11.227 5.778 1.00 0.00 O ATOM 387 CB LEU A 27 0.486 12.986 2.875 1.00 0.00 C ATOM 388 CG LEU A 27 0.703 14.284 2.094 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.843 14.134 1.085 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.595 14.746 1.427 1.00 0.00 C ATOM 0 H LEU A 27 1.873 12.336 5.390 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.343 14.064 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.364 12.354 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.358 12.456 2.433 1.00 0.00 H new ATOM 0 HG LEU A 27 0.998 15.061 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.976 15.071 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.764 13.885 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.602 13.339 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.413 15.670 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.943 13.977 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.354 14.920 2.190 1.00 0.00 H new ATOM 402 N TRP A 28 -1.878 11.981 4.551 1.00 0.00 N ATOM 403 CA TRP A 28 -2.800 10.966 5.034 1.00 0.00 C ATOM 404 C TRP A 28 -3.300 10.169 3.827 1.00 0.00 C ATOM 405 O TRP A 28 -3.609 10.743 2.784 1.00 0.00 O ATOM 406 CB TRP A 28 -3.933 11.597 5.845 1.00 0.00 C ATOM 407 CG TRP A 28 -4.978 10.594 6.339 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.165 10.302 5.792 1.00 0.00 C ATOM 409 CD2 TRP A 28 -4.878 9.757 7.511 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.836 9.342 6.522 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.029 9.000 7.600 1.00 0.00 C ATOM 412 CE3 TRP A 28 -3.850 9.643 8.463 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.260 8.076 8.626 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.097 8.715 9.482 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.250 7.945 9.586 1.00 0.00 C ATOM 0 H TRP A 28 -2.279 12.638 3.882 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.298 10.282 5.719 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.506 12.115 6.704 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.428 12.350 5.233 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.549 10.760 4.893 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.755 8.955 6.309 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.942 10.225 8.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.169 7.495 8.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.339 8.588 10.240 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.366 7.249 10.404 1.00 0.00 H new ATOM 426 N PHE A 29 -3.364 8.859 4.010 1.00 0.00 N ATOM 427 CA PHE A 29 -3.821 7.977 2.949 1.00 0.00 C ATOM 428 C PHE A 29 -4.800 6.932 3.488 1.00 0.00 C ATOM 429 O PHE A 29 -4.810 6.645 4.684 1.00 0.00 O ATOM 430 CB PHE A 29 -2.585 7.263 2.397 1.00 0.00 C ATOM 431 CG PHE A 29 -1.577 8.196 1.723 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.695 8.482 0.399 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.562 8.738 2.448 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.759 9.348 -0.226 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.374 9.604 1.823 1.00 0.00 C ATOM 436 CZ PHE A 29 0.255 9.890 0.499 1.00 0.00 C ATOM 0 H PHE A 29 -3.107 8.387 4.877 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.334 8.555 2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.088 6.736 3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.904 6.509 1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.500 8.051 -0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.468 8.510 3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.853 9.576 -1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.180 10.035 2.399 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.967 10.548 0.023 1.00 0.00 H new ATOM 446 N VAL A 30 -5.600 6.393 2.580 1.00 0.00 N ATOM 447 CA VAL A 30 -6.581 5.387 2.949 1.00 0.00 C ATOM 448 C VAL A 30 -6.818 4.452 1.762 1.00 0.00 C ATOM 449 O VAL A 30 -6.566 4.822 0.616 1.00 0.00 O ATOM 450 CB VAL A 30 -7.861 6.061 3.445 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.042 5.089 3.410 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.669 6.640 4.848 1.00 0.00 C ATOM 0 H VAL A 30 -5.589 6.634 1.589 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.211 4.777 3.773 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.087 6.887 2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.939 5.594 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.201 4.747 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.828 4.233 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.594 7.113 5.176 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.406 5.839 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.869 7.381 4.830 1.00 0.00 H new ATOM 462 N ILE A 31 -7.301 3.259 2.076 1.00 0.00 N ATOM 463 CA ILE A 31 -7.576 2.269 1.049 1.00 0.00 C ATOM 464 C ILE A 31 -9.067 1.928 1.061 1.00 0.00 C ATOM 465 O ILE A 31 -9.490 1.001 1.750 1.00 0.00 O ATOM 466 CB ILE A 31 -6.665 1.051 1.221 1.00 0.00 C ATOM 467 CG1 ILE A 31 -5.207 1.411 0.926 1.00 0.00 C ATOM 468 CG2 ILE A 31 -7.151 -0.122 0.367 1.00 0.00 C ATOM 469 CD1 ILE A 31 -4.286 0.215 1.179 1.00 0.00 C ATOM 0 H ILE A 31 -7.509 2.956 3.027 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.349 2.671 0.062 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.713 0.732 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.111 1.736 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.901 2.249 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.486 -0.974 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -8.162 -0.397 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.151 0.168 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.256 0.497 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.366 -0.092 2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.579 -0.613 0.534 1.00 0.00 H new ATOM 481 N LYS A 32 -9.823 2.695 0.289 1.00 0.00 N ATOM 482 CA LYS A 32 -11.259 2.486 0.202 1.00 0.00 C ATOM 483 C LYS A 32 -11.536 1.196 -0.573 1.00 0.00 C ATOM 484 O LYS A 32 -11.720 0.137 0.024 1.00 0.00 O ATOM 485 CB LYS A 32 -11.945 3.719 -0.389 1.00 0.00 C ATOM 486 CG LYS A 32 -13.295 3.351 -1.007 1.00 0.00 C ATOM 487 CD LYS A 32 -14.243 4.552 -1.009 1.00 0.00 C ATOM 488 CE LYS A 32 -15.243 4.460 -2.163 1.00 0.00 C ATOM 489 NZ LYS A 32 -16.554 3.976 -1.676 1.00 0.00 N ATOM 0 H LYS A 32 -9.468 3.462 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.687 2.359 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.089 4.468 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.304 4.168 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.148 2.998 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.743 2.530 -0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.779 4.598 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.668 5.474 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.360 5.438 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.862 3.785 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -17.221 3.920 -2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.440 3.033 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.924 4.635 -0.961 1.00 0.00 H new ATOM 503 N ASN A 33 -11.557 1.329 -1.891 1.00 0.00 N ATOM 504 CA ASN A 33 -11.808 0.188 -2.754 1.00 0.00 C ATOM 505 C ASN A 33 -10.564 -0.091 -3.600 1.00 0.00 C ATOM 506 O ASN A 33 -10.560 0.156 -4.805 1.00 0.00 O ATOM 507 CB ASN A 33 -12.975 0.463 -3.705 1.00 0.00 C ATOM 508 CG ASN A 33 -13.295 -0.771 -4.551 1.00 0.00 C ATOM 509 OD1 ASN A 33 -12.425 -1.410 -5.118 1.00 0.00 O ATOM 510 ND2 ASN A 33 -14.590 -1.070 -4.603 1.00 0.00 N ATOM 0 H ASN A 33 -11.404 2.210 -2.382 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.051 -0.666 -2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.855 0.754 -3.132 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.728 1.301 -4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.906 -1.877 -5.141 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.267 -0.493 -4.104 1.00 0.00 H new ATOM 517 N LYS A 34 -9.538 -0.601 -2.935 1.00 0.00 N ATOM 518 CA LYS A 34 -8.290 -0.915 -3.611 1.00 0.00 C ATOM 519 C LYS A 34 -7.723 0.357 -4.243 1.00 0.00 C ATOM 520 O LYS A 34 -6.863 0.289 -5.119 1.00 0.00 O ATOM 521 CB LYS A 34 -8.494 -2.059 -4.607 1.00 0.00 C ATOM 522 CG LYS A 34 -8.179 -3.410 -3.962 1.00 0.00 C ATOM 523 CD LYS A 34 -7.995 -4.495 -5.025 1.00 0.00 C ATOM 524 CE LYS A 34 -7.564 -5.818 -4.390 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.660 -6.809 -4.461 1.00 0.00 N ATOM 0 H LYS A 34 -9.545 -0.805 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.549 -1.273 -2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.523 -2.054 -4.966 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.853 -1.908 -5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.274 -3.328 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.986 -3.691 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.928 -4.636 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.247 -4.175 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.683 -6.204 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.281 -5.654 -3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.350 -7.701 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.491 -6.445 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.911 -6.978 -5.456 1.00 0.00 H new ATOM 539 N VAL A 35 -8.227 1.489 -3.773 1.00 0.00 N ATOM 540 CA VAL A 35 -7.781 2.775 -4.282 1.00 0.00 C ATOM 541 C VAL A 35 -7.075 3.544 -3.163 1.00 0.00 C ATOM 542 O VAL A 35 -7.640 3.742 -2.089 1.00 0.00 O ATOM 543 CB VAL A 35 -8.964 3.540 -4.879 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.527 4.917 -5.383 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.632 2.734 -5.994 1.00 0.00 C ATOM 0 H VAL A 35 -8.940 1.542 -3.045 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.060 2.638 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.700 3.690 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.386 5.440 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.119 5.495 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.764 4.798 -6.152 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.470 3.301 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.908 2.538 -6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.995 1.788 -5.592 1.00 0.00 H new ATOM 555 N LEU A 36 -5.849 3.955 -3.453 1.00 0.00 N ATOM 556 CA LEU A 36 -5.060 4.697 -2.485 1.00 0.00 C ATOM 557 C LEU A 36 -5.479 6.169 -2.513 1.00 0.00 C ATOM 558 O LEU A 36 -4.940 6.957 -3.288 1.00 0.00 O ATOM 559 CB LEU A 36 -3.566 4.479 -2.732 1.00 0.00 C ATOM 560 CG LEU A 36 -2.618 5.134 -1.725 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.326 6.585 -2.111 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.164 5.018 -0.301 1.00 0.00 C ATOM 0 H LEU A 36 -5.383 3.788 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.250 4.330 -1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.372 3.406 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.324 4.854 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.670 4.597 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.650 7.027 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.862 6.613 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.258 7.150 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.471 5.492 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.133 5.514 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.278 3.966 -0.040 1.00 0.00 H new ATOM 574 N TYR A 37 -6.438 6.494 -1.657 1.00 0.00 N ATOM 575 CA TYR A 37 -6.935 7.856 -1.574 1.00 0.00 C ATOM 576 C TYR A 37 -5.994 8.735 -0.748 1.00 0.00 C ATOM 577 O TYR A 37 -5.577 8.349 0.343 1.00 0.00 O ATOM 578 CB TYR A 37 -8.287 7.769 -0.862 1.00 0.00 C ATOM 579 CG TYR A 37 -9.471 7.537 -1.803 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.990 8.587 -2.532 1.00 0.00 C ATOM 581 CD2 TYR A 37 -10.021 6.276 -1.922 1.00 0.00 C ATOM 582 CE1 TYR A 37 -11.105 8.369 -3.417 1.00 0.00 C ATOM 583 CE2 TYR A 37 -11.136 6.058 -2.807 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.623 7.115 -3.511 1.00 0.00 C ATOM 585 OH TYR A 37 -12.675 6.909 -4.347 1.00 0.00 O ATOM 0 H TYR A 37 -6.883 5.837 -1.016 1.00 0.00 H new ATOM 0 HA TYR A 37 -7.013 8.297 -2.568 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.251 6.959 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.453 8.691 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.560 9.573 -2.439 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.615 5.454 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.520 9.183 -3.993 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.576 5.077 -2.909 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.940 5.966 -4.313 1.00 0.00 H new ATOM 595 N THR A 38 -5.686 9.899 -1.299 1.00 0.00 N ATOM 596 CA THR A 38 -4.801 10.835 -0.627 1.00 0.00 C ATOM 597 C THR A 38 -5.606 11.786 0.262 1.00 0.00 C ATOM 598 O THR A 38 -6.812 11.941 0.078 1.00 0.00 O ATOM 599 CB THR A 38 -3.975 11.555 -1.695 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.991 10.597 -2.076 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.161 12.716 -1.121 1.00 0.00 C ATOM 0 H THR A 38 -6.034 10.216 -2.204 1.00 0.00 H new ATOM 0 HA THR A 38 -4.114 10.318 0.042 1.00 0.00 H new ATOM 0 HB THR A 38 -4.637 11.927 -2.477 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.466 10.337 -1.290 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.593 13.193 -1.920 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.835 13.445 -0.670 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.474 12.339 -0.363 1.00 0.00 H new ATOM 609 N TYR A 39 -4.906 12.397 1.206 1.00 0.00 N ATOM 610 CA TYR A 39 -5.540 13.328 2.123 1.00 0.00 C ATOM 611 C TYR A 39 -4.513 14.285 2.731 1.00 0.00 C ATOM 612 O TYR A 39 -3.310 14.120 2.530 1.00 0.00 O ATOM 613 CB TYR A 39 -6.146 12.474 3.239 1.00 0.00 C ATOM 614 CG TYR A 39 -7.415 11.724 2.830 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.633 12.372 2.842 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.341 10.400 2.448 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.828 11.666 2.457 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.536 9.694 2.063 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.720 10.362 2.086 1.00 0.00 C ATOM 620 OH TYR A 39 -10.849 9.696 1.723 1.00 0.00 O ATOM 0 H TYR A 39 -3.906 12.265 1.356 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.286 13.929 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.402 11.752 3.574 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.374 13.116 4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.690 13.408 3.140 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.387 9.893 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.788 12.161 2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.493 8.657 1.763 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.622 8.774 1.482 1.00 0.00 H new ATOM 630 N ALA A 40 -5.024 15.266 3.461 1.00 0.00 N ATOM 631 CA ALA A 40 -4.166 16.250 4.099 1.00 0.00 C ATOM 632 C ALA A 40 -4.281 16.112 5.618 1.00 0.00 C ATOM 633 O ALA A 40 -3.496 16.701 6.360 1.00 0.00 O ATOM 634 CB ALA A 40 -4.543 17.650 3.610 1.00 0.00 C ATOM 0 H ALA A 40 -6.022 15.400 3.625 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.123 16.081 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.899 18.388 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.416 17.704 2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.583 17.856 3.864 1.00 0.00 H new ATOM 640 N ALA A 41 -5.265 15.330 6.036 1.00 0.00 N ATOM 641 CA ALA A 41 -5.493 15.107 7.454 1.00 0.00 C ATOM 642 C ALA A 41 -6.735 14.232 7.635 1.00 0.00 C ATOM 643 O ALA A 41 -7.440 13.941 6.670 1.00 0.00 O ATOM 644 CB ALA A 41 -5.620 16.454 8.169 1.00 0.00 C ATOM 0 H ALA A 41 -5.914 14.843 5.418 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.650 14.579 7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.791 16.287 9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.701 17.025 8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.458 17.011 7.750 1.00 0.00 H new ATOM 688 N VAL A 45 -12.345 17.111 4.437 1.00 0.00 N ATOM 689 CA VAL A 45 -13.714 16.816 4.049 1.00 0.00 C ATOM 690 C VAL A 45 -13.718 15.652 3.056 1.00 0.00 C ATOM 691 O VAL A 45 -14.674 14.880 3.003 1.00 0.00 O ATOM 692 CB VAL A 45 -14.384 18.076 3.497 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.869 18.981 4.631 1.00 0.00 C ATOM 694 CG2 VAL A 45 -13.441 18.831 2.557 1.00 0.00 C ATOM 0 HA VAL A 45 -14.299 16.506 4.915 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.256 17.767 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.341 19.869 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.591 18.441 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.021 19.278 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.941 19.722 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.542 19.123 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.167 18.186 1.722 1.00 0.00 H new ATOM 704 N ALA A 46 -12.639 15.563 2.293 1.00 0.00 N ATOM 705 CA ALA A 46 -12.506 14.507 1.304 1.00 0.00 C ATOM 706 C ALA A 46 -11.022 14.248 1.036 1.00 0.00 C ATOM 707 O ALA A 46 -10.159 14.834 1.688 1.00 0.00 O ATOM 708 CB ALA A 46 -13.269 14.895 0.036 1.00 0.00 C ATOM 0 H ALA A 46 -11.848 16.205 2.340 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.941 13.578 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.169 14.103 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.323 15.038 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.859 15.822 -0.366 1.00 0.00 H new ATOM 714 N ALA A 47 -10.771 13.370 0.076 1.00 0.00 N ATOM 715 CA ALA A 47 -9.406 13.027 -0.286 1.00 0.00 C ATOM 716 C ALA A 47 -8.887 14.035 -1.313 1.00 0.00 C ATOM 717 O ALA A 47 -9.591 14.380 -2.261 1.00 0.00 O ATOM 718 CB ALA A 47 -9.363 11.589 -0.807 1.00 0.00 C ATOM 0 H ALA A 47 -11.490 12.886 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.753 13.078 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.339 11.331 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.714 10.910 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.005 11.500 -1.684 1.00 0.00 H new ATOM 724 N LEU A 48 -7.659 14.480 -1.089 1.00 0.00 N ATOM 725 CA LEU A 48 -7.037 15.442 -1.983 1.00 0.00 C ATOM 726 C LEU A 48 -6.918 14.830 -3.380 1.00 0.00 C ATOM 727 O LEU A 48 -7.272 15.466 -4.372 1.00 0.00 O ATOM 728 CB LEU A 48 -5.704 15.924 -1.408 1.00 0.00 C ATOM 729 CG LEU A 48 -5.780 16.675 -0.077 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.385 16.883 0.516 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.539 17.994 -0.234 1.00 0.00 C ATOM 0 H LEU A 48 -7.078 14.192 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.658 16.333 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.053 15.059 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.228 16.574 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.341 16.063 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.468 17.419 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.915 15.915 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.777 17.464 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.578 18.508 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.027 18.624 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.553 17.791 -0.579 1.00 0.00 H new ATOM 743 N GLU A 49 -6.419 13.604 -3.414 1.00 0.00 N ATOM 744 CA GLU A 49 -6.249 12.899 -4.674 1.00 0.00 C ATOM 745 C GLU A 49 -6.746 11.457 -4.547 1.00 0.00 C ATOM 746 O GLU A 49 -6.842 10.925 -3.442 1.00 0.00 O ATOM 747 CB GLU A 49 -4.790 12.938 -5.132 1.00 0.00 C ATOM 748 CG GLU A 49 -4.349 14.372 -5.435 1.00 0.00 C ATOM 749 CD GLU A 49 -4.607 14.727 -6.900 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.623 14.232 -7.433 1.00 0.00 O ATOM 751 OE2 GLU A 49 -3.782 15.485 -7.454 1.00 0.00 O ATOM 0 H GLU A 49 -6.127 13.080 -2.589 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.847 13.403 -5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.151 12.513 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.668 12.320 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.887 15.066 -4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.288 14.485 -5.211 1.00 0.00 H new ATOM 758 N SER A 50 -7.048 10.866 -5.693 1.00 0.00 N ATOM 759 CA SER A 50 -7.532 9.496 -5.724 1.00 0.00 C ATOM 760 C SER A 50 -6.911 8.748 -6.905 1.00 0.00 C ATOM 761 O SER A 50 -6.889 9.258 -8.025 1.00 0.00 O ATOM 762 CB SER A 50 -9.059 9.454 -5.812 1.00 0.00 C ATOM 763 OG SER A 50 -9.590 10.617 -6.440 1.00 0.00 O ATOM 0 H SER A 50 -6.967 11.311 -6.607 1.00 0.00 H new ATOM 0 HA SER A 50 -7.235 9.007 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.366 8.569 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.477 9.360 -4.810 1.00 0.00 H new ATOM 0 HG SER A 50 -10.567 10.551 -6.478 1.00 0.00 H new ATOM 769 N GLN A 51 -6.421 7.552 -6.615 1.00 0.00 N ATOM 770 CA GLN A 51 -5.801 6.729 -7.640 1.00 0.00 C ATOM 771 C GLN A 51 -5.935 5.247 -7.283 1.00 0.00 C ATOM 772 O GLN A 51 -5.674 4.852 -6.147 1.00 0.00 O ATOM 773 CB GLN A 51 -4.334 7.114 -7.840 1.00 0.00 C ATOM 774 CG GLN A 51 -3.763 6.463 -9.101 1.00 0.00 C ATOM 775 CD GLN A 51 -4.332 7.117 -10.362 1.00 0.00 C ATOM 776 OE1 GLN A 51 -4.830 8.230 -10.344 1.00 0.00 O ATOM 777 NE2 GLN A 51 -4.230 6.365 -11.454 1.00 0.00 N ATOM 0 H GLN A 51 -6.441 7.133 -5.685 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.320 6.905 -8.582 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.246 8.198 -7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.752 6.805 -6.972 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.677 6.551 -9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.996 5.398 -9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.801 5.441 -11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.580 6.712 -12.347 1.00 0.00 H new ATOM 786 N PRO A 52 -6.351 4.446 -8.300 1.00 0.00 N ATOM 787 CA PRO A 52 -6.522 3.016 -8.104 1.00 0.00 C ATOM 788 C PRO A 52 -5.169 2.304 -8.052 1.00 0.00 C ATOM 789 O PRO A 52 -4.330 2.492 -8.931 1.00 0.00 O ATOM 790 CB PRO A 52 -7.388 2.561 -9.268 1.00 0.00 C ATOM 791 CG PRO A 52 -7.284 3.655 -10.318 1.00 0.00 C ATOM 792 CD PRO A 52 -6.669 4.878 -9.657 1.00 0.00 C ATOM 0 HA PRO A 52 -6.997 2.775 -7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.041 1.606 -9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.422 2.419 -8.953 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.669 3.324 -11.155 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.269 3.893 -10.720 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.775 5.207 -10.187 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.364 5.717 -9.653 1.00 0.00 H new ATOM 800 N LEU A 53 -4.999 1.501 -7.011 1.00 0.00 N ATOM 801 CA LEU A 53 -3.762 0.760 -6.832 1.00 0.00 C ATOM 802 C LEU A 53 -3.600 -0.237 -7.981 1.00 0.00 C ATOM 803 O LEU A 53 -2.491 -0.690 -8.263 1.00 0.00 O ATOM 804 CB LEU A 53 -3.720 0.114 -5.446 1.00 0.00 C ATOM 805 CG LEU A 53 -3.560 1.073 -4.264 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.286 0.542 -3.026 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.083 1.357 -3.985 1.00 0.00 C ATOM 0 H LEU A 53 -5.697 1.348 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.905 1.433 -6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.638 -0.456 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.896 -0.599 -5.424 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.026 2.022 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.157 1.242 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.348 0.432 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.871 -0.427 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.997 2.041 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.571 0.424 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.627 1.809 -4.866 1.00 0.00 H new ATOM 819 N LEU A 54 -4.721 -0.551 -8.613 1.00 0.00 N ATOM 820 CA LEU A 54 -4.717 -1.487 -9.724 1.00 0.00 C ATOM 821 C LEU A 54 -3.712 -1.017 -10.777 1.00 0.00 C ATOM 822 O LEU A 54 -3.906 0.023 -11.405 1.00 0.00 O ATOM 823 CB LEU A 54 -6.135 -1.679 -10.268 1.00 0.00 C ATOM 824 CG LEU A 54 -6.317 -2.813 -11.279 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.317 -2.689 -12.429 1.00 0.00 C ATOM 826 CD2 LEU A 54 -6.235 -4.178 -10.592 1.00 0.00 C ATOM 0 H LEU A 54 -5.639 -0.174 -8.377 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.392 -2.473 -9.391 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.805 -1.858 -9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.453 -0.747 -10.736 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.314 -2.729 -11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.468 -3.507 -13.133 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.467 -1.738 -12.941 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.302 -2.733 -12.035 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.368 -4.967 -11.333 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.261 -4.288 -10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.018 -4.253 -9.838 1.00 0.00 H new ATOM 838 N GLY A 55 -2.660 -1.806 -10.939 1.00 0.00 N ATOM 839 CA GLY A 55 -1.625 -1.484 -11.906 1.00 0.00 C ATOM 840 C GLY A 55 -0.308 -1.142 -11.205 1.00 0.00 C ATOM 841 O GLY A 55 0.769 -1.440 -11.719 1.00 0.00 O ATOM 0 H GLY A 55 -2.502 -2.668 -10.417 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.475 -2.329 -12.578 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.944 -0.641 -12.519 1.00 0.00 H new ATOM 845 N PHE A 56 -0.438 -0.520 -10.042 1.00 0.00 N ATOM 846 CA PHE A 56 0.728 -0.134 -9.266 1.00 0.00 C ATOM 847 C PHE A 56 1.357 -1.349 -8.580 1.00 0.00 C ATOM 848 O PHE A 56 0.889 -2.473 -8.751 1.00 0.00 O ATOM 849 CB PHE A 56 0.247 0.849 -8.196 1.00 0.00 C ATOM 850 CG PHE A 56 0.059 2.279 -8.705 1.00 0.00 C ATOM 851 CD1 PHE A 56 1.100 3.153 -8.679 1.00 0.00 C ATOM 852 CD2 PHE A 56 -1.151 2.677 -9.182 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.925 4.481 -9.151 1.00 0.00 C ATOM 854 CE2 PHE A 56 -1.326 4.005 -9.654 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.284 4.879 -9.628 1.00 0.00 C ATOM 0 H PHE A 56 -1.333 -0.274 -9.619 1.00 0.00 H new ATOM 0 HA PHE A 56 1.479 0.310 -9.919 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.699 0.492 -7.788 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.965 0.858 -7.376 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.060 2.837 -8.299 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.979 1.983 -9.202 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.753 5.175 -9.131 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.286 4.321 -10.034 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.417 5.889 -9.986 1.00 0.00 H new ATOM 865 N THR A 57 2.408 -1.080 -7.820 1.00 0.00 N ATOM 866 CA THR A 57 3.106 -2.137 -7.108 1.00 0.00 C ATOM 867 C THR A 57 3.776 -1.580 -5.850 1.00 0.00 C ATOM 868 O THR A 57 3.856 -0.366 -5.671 1.00 0.00 O ATOM 869 CB THR A 57 4.088 -2.793 -8.080 1.00 0.00 C ATOM 870 OG1 THR A 57 3.361 -2.880 -9.302 1.00 0.00 O ATOM 871 CG2 THR A 57 4.385 -4.250 -7.718 1.00 0.00 C ATOM 0 H THR A 57 2.793 -0.146 -7.682 1.00 0.00 H new ATOM 0 HA THR A 57 2.413 -2.902 -6.758 1.00 0.00 H new ATOM 0 HB THR A 57 5.019 -2.226 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.506 -2.066 -9.828 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.087 -4.668 -8.439 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.820 -4.295 -6.720 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.459 -4.825 -7.737 1.00 0.00 H new ATOM 879 N VAL A 58 4.241 -2.495 -5.012 1.00 0.00 N ATOM 880 CA VAL A 58 4.902 -2.111 -3.776 1.00 0.00 C ATOM 881 C VAL A 58 6.018 -3.111 -3.467 1.00 0.00 C ATOM 882 O VAL A 58 5.948 -4.270 -3.874 1.00 0.00 O ATOM 883 CB VAL A 58 3.875 -1.994 -2.648 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.410 -2.609 -1.353 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.460 -0.537 -2.433 1.00 0.00 C ATOM 0 H VAL A 58 4.173 -3.501 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 58 5.365 -1.130 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 58 2.988 -2.555 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.660 -2.512 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.632 -3.664 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.320 -2.089 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.730 -0.482 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.336 0.056 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.018 -0.145 -3.349 1.00 0.00 H new ATOM 895 N THR A 59 7.021 -2.626 -2.750 1.00 0.00 N ATOM 896 CA THR A 59 8.150 -3.463 -2.382 1.00 0.00 C ATOM 897 C THR A 59 8.913 -2.844 -1.209 1.00 0.00 C ATOM 898 O THR A 59 9.260 -1.665 -1.243 1.00 0.00 O ATOM 899 CB THR A 59 9.014 -3.667 -3.629 1.00 0.00 C ATOM 900 OG1 THR A 59 9.680 -4.904 -3.391 1.00 0.00 O ATOM 901 CG2 THR A 59 10.148 -2.646 -3.729 1.00 0.00 C ATOM 0 H THR A 59 7.075 -1.664 -2.414 1.00 0.00 H new ATOM 0 HA THR A 59 7.820 -4.442 -2.034 1.00 0.00 H new ATOM 0 HB THR A 59 8.388 -3.602 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.261 -5.114 -4.152 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.730 -2.836 -4.631 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.730 -1.640 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.794 -2.733 -2.855 1.00 0.00 H new ATOM 909 N LEU A 60 9.152 -3.668 -0.200 1.00 0.00 N ATOM 910 CA LEU A 60 9.867 -3.216 0.982 1.00 0.00 C ATOM 911 C LEU A 60 11.288 -2.806 0.587 1.00 0.00 C ATOM 912 O LEU A 60 11.911 -3.448 -0.257 1.00 0.00 O ATOM 913 CB LEU A 60 9.817 -4.282 2.079 1.00 0.00 C ATOM 914 CG LEU A 60 10.388 -3.872 3.438 1.00 0.00 C ATOM 915 CD1 LEU A 60 11.918 -3.869 3.412 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.820 -2.525 3.887 1.00 0.00 C ATOM 0 H LEU A 60 8.863 -4.646 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 60 9.386 -2.334 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.779 -4.583 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.359 -5.161 1.729 1.00 0.00 H new ATOM 0 HG LEU A 60 10.080 -4.613 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.298 -3.574 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.280 -4.868 3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.268 -3.163 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.242 -2.257 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.077 -1.760 3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.736 -2.597 3.971 1.00 0.00 H new ATOM 928 N VAL A 61 11.758 -1.739 1.216 1.00 0.00 N ATOM 929 CA VAL A 61 13.093 -1.236 0.941 1.00 0.00 C ATOM 930 C VAL A 61 13.894 -1.189 2.244 1.00 0.00 C ATOM 931 O VAL A 61 13.334 -0.947 3.312 1.00 0.00 O ATOM 932 CB VAL A 61 13.006 0.123 0.243 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.997 1.035 0.942 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.383 0.786 0.162 1.00 0.00 C ATOM 0 H VAL A 61 11.238 -1.209 1.915 1.00 0.00 H new ATOM 0 HA VAL A 61 13.620 -1.904 0.259 1.00 0.00 H new ATOM 0 HB VAL A 61 12.655 -0.044 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.955 1.994 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.012 0.569 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.304 1.193 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.294 1.750 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.775 0.934 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.062 0.146 -0.402 1.00 0.00 H new ATOM 1033 N SER A 68 12.630 -2.373 6.959 1.00 0.00 N ATOM 1034 CA SER A 68 11.376 -3.108 6.964 1.00 0.00 C ATOM 1035 C SER A 68 10.270 -2.251 7.582 1.00 0.00 C ATOM 1036 O SER A 68 9.306 -2.780 8.133 1.00 0.00 O ATOM 1037 CB SER A 68 11.515 -4.428 7.726 1.00 0.00 C ATOM 1038 OG SER A 68 12.648 -5.176 7.296 1.00 0.00 O ATOM 0 HA SER A 68 11.111 -3.342 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.600 -4.223 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.613 -5.024 7.586 1.00 0.00 H new ATOM 0 HG SER A 68 13.308 -4.571 6.898 1.00 0.00 H new ATOM 1044 N LYS A 69 10.446 -0.943 7.469 1.00 0.00 N ATOM 1045 CA LYS A 69 9.474 -0.008 8.011 1.00 0.00 C ATOM 1046 C LYS A 69 8.952 0.887 6.885 1.00 0.00 C ATOM 1047 O LYS A 69 7.756 1.165 6.812 1.00 0.00 O ATOM 1048 CB LYS A 69 10.073 0.768 9.185 1.00 0.00 C ATOM 1049 CG LYS A 69 9.354 2.104 9.384 1.00 0.00 C ATOM 1050 CD LYS A 69 9.734 2.737 10.724 1.00 0.00 C ATOM 1051 CE LYS A 69 10.036 4.227 10.560 1.00 0.00 C ATOM 1052 NZ LYS A 69 9.794 4.948 11.830 1.00 0.00 N ATOM 0 H LYS A 69 11.247 -0.508 7.010 1.00 0.00 H new ATOM 0 HA LYS A 69 8.616 -0.544 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.999 0.172 10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.133 0.945 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.610 2.784 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.276 1.950 9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.920 2.604 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.606 2.229 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.072 4.362 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.410 4.646 9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.619 5.954 11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.965 4.541 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.628 4.857 12.445 1.00 0.00 H new ATOM 1066 N VAL A 70 9.874 1.312 6.034 1.00 0.00 N ATOM 1067 CA VAL A 70 9.522 2.170 4.916 1.00 0.00 C ATOM 1068 C VAL A 70 9.506 1.342 3.629 1.00 0.00 C ATOM 1069 O VAL A 70 10.301 0.416 3.473 1.00 0.00 O ATOM 1070 CB VAL A 70 10.479 3.362 4.848 1.00 0.00 C ATOM 1071 CG1 VAL A 70 11.912 2.932 5.168 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.404 4.048 3.483 1.00 0.00 C ATOM 0 H VAL A 70 10.865 1.078 6.096 1.00 0.00 H new ATOM 0 HA VAL A 70 8.522 2.581 5.051 1.00 0.00 H new ATOM 0 HB VAL A 70 10.169 4.085 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.572 3.797 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.950 2.510 6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.236 2.182 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.094 4.892 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.676 3.337 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.389 4.405 3.311 1.00 0.00 H new ATOM 1082 N PHE A 71 8.593 1.705 2.741 1.00 0.00 N ATOM 1083 CA PHE A 71 8.463 1.008 1.473 1.00 0.00 C ATOM 1084 C PHE A 71 8.410 1.996 0.306 1.00 0.00 C ATOM 1085 O PHE A 71 8.434 3.208 0.513 1.00 0.00 O ATOM 1086 CB PHE A 71 7.149 0.226 1.524 1.00 0.00 C ATOM 1087 CG PHE A 71 6.003 0.981 2.202 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.060 1.252 3.533 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.927 1.380 1.473 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.997 1.952 4.162 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.863 2.080 2.101 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.920 2.351 3.433 1.00 0.00 C ATOM 0 H PHE A 71 7.936 2.473 2.874 1.00 0.00 H new ATOM 0 HA PHE A 71 9.321 0.353 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.851 -0.030 0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.316 -0.712 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.914 0.935 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.881 1.164 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.043 2.168 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.009 2.397 1.521 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.111 2.883 3.911 1.00 0.00 H new ATOM 1102 N GLN A 72 8.337 1.441 -0.895 1.00 0.00 N ATOM 1103 CA GLN A 72 8.280 2.259 -2.095 1.00 0.00 C ATOM 1104 C GLN A 72 7.064 1.875 -2.941 1.00 0.00 C ATOM 1105 O GLN A 72 6.650 0.717 -2.949 1.00 0.00 O ATOM 1106 CB GLN A 72 9.573 2.135 -2.905 1.00 0.00 C ATOM 1107 CG GLN A 72 10.693 2.970 -2.281 1.00 0.00 C ATOM 1108 CD GLN A 72 11.931 2.985 -3.179 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.497 4.022 -3.483 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.319 1.779 -3.585 1.00 0.00 N ATOM 0 H GLN A 72 8.316 0.435 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 72 8.176 3.302 -1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.877 1.089 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.397 2.463 -3.930 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.344 3.990 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.953 2.564 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.800 0.951 -3.293 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.136 1.682 -4.188 1.00 0.00 H new ATOM 1119 N LEU A 73 6.528 2.870 -3.632 1.00 0.00 N ATOM 1120 CA LEU A 73 5.368 2.651 -4.480 1.00 0.00 C ATOM 1121 C LEU A 73 5.823 2.510 -5.934 1.00 0.00 C ATOM 1122 O LEU A 73 6.053 3.508 -6.615 1.00 0.00 O ATOM 1123 CB LEU A 73 4.331 3.756 -4.264 1.00 0.00 C ATOM 1124 CG LEU A 73 3.045 3.639 -5.085 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.367 2.287 -4.851 1.00 0.00 C ATOM 1126 CD2 LEU A 73 2.103 4.810 -4.799 1.00 0.00 C ATOM 0 H LEU A 73 6.875 3.829 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 73 4.869 1.720 -4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.064 3.774 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.798 4.714 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 73 3.308 3.689 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.455 2.229 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.044 1.485 -5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.118 2.183 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.197 4.702 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.842 4.817 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.598 5.746 -5.057 1.00 0.00 H new ATOM 1138 N LEU A 74 5.939 1.263 -6.366 1.00 0.00 N ATOM 1139 CA LEU A 74 6.362 0.979 -7.726 1.00 0.00 C ATOM 1140 C LEU A 74 5.157 1.081 -8.663 1.00 0.00 C ATOM 1141 O LEU A 74 4.034 0.763 -8.273 1.00 0.00 O ATOM 1142 CB LEU A 74 7.080 -0.371 -7.793 1.00 0.00 C ATOM 1143 CG LEU A 74 8.510 -0.398 -7.249 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.665 -1.468 -6.167 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.524 -0.576 -8.381 1.00 0.00 C ATOM 0 H LEU A 74 5.747 0.438 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 74 7.090 1.719 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.489 -1.102 -7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.102 -0.697 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 74 8.716 0.565 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.690 -1.466 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.982 -1.255 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.433 -2.447 -6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.532 -0.592 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.330 -1.515 -8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.433 0.252 -9.084 1.00 0.00 H new ATOM 1157 N HIS A 75 5.430 1.527 -9.880 1.00 0.00 N ATOM 1158 CA HIS A 75 4.382 1.675 -10.876 1.00 0.00 C ATOM 1159 C HIS A 75 4.875 1.144 -12.223 1.00 0.00 C ATOM 1160 O HIS A 75 5.582 1.842 -12.948 1.00 0.00 O ATOM 1161 CB HIS A 75 3.904 3.127 -10.949 1.00 0.00 C ATOM 1162 CG HIS A 75 2.918 3.393 -12.061 1.00 0.00 C ATOM 1163 ND1 HIS A 75 3.210 4.203 -13.145 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.642 2.948 -12.246 1.00 0.00 C ATOM 1165 CE1 HIS A 75 2.151 4.237 -13.940 1.00 0.00 C ATOM 1166 NE2 HIS A 75 1.179 3.460 -13.381 1.00 0.00 N ATOM 0 H HIS A 75 6.362 1.791 -10.199 1.00 0.00 H new ATOM 0 HA HIS A 75 3.514 1.082 -10.588 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.445 3.396 -9.998 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.769 3.777 -11.081 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.100 2.291 -11.582 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.071 4.784 -14.868 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.250 3.299 -13.770 1.00 0.00 H new ATOM 1174 N LYS A 76 4.482 -0.086 -12.518 1.00 0.00 N ATOM 1175 CA LYS A 76 4.875 -0.719 -13.766 1.00 0.00 C ATOM 1176 C LYS A 76 6.280 -1.305 -13.615 1.00 0.00 C ATOM 1177 O LYS A 76 6.802 -1.922 -14.542 1.00 0.00 O ATOM 1178 CB LYS A 76 4.741 0.264 -14.930 1.00 0.00 C ATOM 1179 CG LYS A 76 3.438 1.060 -14.829 1.00 0.00 C ATOM 1180 CD LYS A 76 3.035 1.628 -16.191 1.00 0.00 C ATOM 1181 CE LYS A 76 3.853 2.876 -16.529 1.00 0.00 C ATOM 1182 NZ LYS A 76 3.039 3.834 -17.309 1.00 0.00 N ATOM 0 H LYS A 76 3.895 -0.662 -11.914 1.00 0.00 H new ATOM 0 HA LYS A 76 4.207 -1.548 -14.000 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.590 0.948 -14.932 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.767 -0.280 -15.874 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.644 0.417 -14.450 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.559 1.873 -14.113 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.183 0.872 -16.962 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.973 1.875 -16.186 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.202 3.349 -15.611 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.739 2.594 -17.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.609 4.675 -17.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.727 3.385 -18.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.207 4.116 -16.752 1.00 0.00 H new ATOM 1196 N GLY A 77 6.853 -1.091 -12.439 1.00 0.00 N ATOM 1197 CA GLY A 77 8.187 -1.590 -12.155 1.00 0.00 C ATOM 1198 C GLY A 77 9.095 -0.470 -11.643 1.00 0.00 C ATOM 1199 O GLY A 77 10.081 -0.730 -10.955 1.00 0.00 O ATOM 0 H GLY A 77 6.417 -0.579 -11.672 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.131 -2.385 -11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.615 -2.026 -13.057 1.00 0.00 H new ATOM 1203 N MET A 78 8.729 0.753 -11.997 1.00 0.00 N ATOM 1204 CA MET A 78 9.497 1.914 -11.582 1.00 0.00 C ATOM 1205 C MET A 78 8.908 2.538 -10.315 1.00 0.00 C ATOM 1206 O MET A 78 7.690 2.585 -10.151 1.00 0.00 O ATOM 1207 CB MET A 78 9.503 2.952 -12.707 1.00 0.00 C ATOM 1208 CG MET A 78 10.159 2.389 -13.969 1.00 0.00 C ATOM 1209 SD MET A 78 10.477 3.706 -15.131 1.00 0.00 S ATOM 1210 CE MET A 78 10.216 2.834 -16.666 1.00 0.00 C ATOM 0 H MET A 78 7.910 0.965 -12.567 1.00 0.00 H new ATOM 0 HA MET A 78 10.516 1.593 -11.366 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.481 3.258 -12.930 1.00 0.00 H new ATOM 0 HB3 MET A 78 10.039 3.844 -12.381 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.092 1.887 -13.711 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.510 1.641 -14.424 1.00 0.00 H new ATOM 0 HE1 MET A 78 10.375 3.514 -17.503 1.00 0.00 H new ATOM 0 HE2 MET A 78 10.917 2.003 -16.736 1.00 0.00 H new ATOM 0 HE3 MET A 78 9.196 2.452 -16.698 1.00 0.00 H new ATOM 1220 N VAL A 79 9.800 3.000 -9.452 1.00 0.00 N ATOM 1221 CA VAL A 79 9.384 3.618 -8.204 1.00 0.00 C ATOM 1222 C VAL A 79 8.666 4.935 -8.507 1.00 0.00 C ATOM 1223 O VAL A 79 9.187 5.776 -9.239 1.00 0.00 O ATOM 1224 CB VAL A 79 10.589 3.794 -7.279 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.206 4.575 -6.021 1.00 0.00 C ATOM 1226 CG2 VAL A 79 11.204 2.440 -6.918 1.00 0.00 C ATOM 0 H VAL A 79 10.810 2.959 -9.592 1.00 0.00 H new ATOM 0 HA VAL A 79 8.678 2.976 -7.677 1.00 0.00 H new ATOM 0 HB VAL A 79 11.341 4.372 -7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.081 4.686 -5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.836 5.561 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.427 4.036 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.059 2.593 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.460 1.826 -6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.532 1.935 -7.827 1.00 0.00 H new ATOM 1236 N PHE A 80 7.482 5.074 -7.929 1.00 0.00 N ATOM 1237 CA PHE A 80 6.688 6.275 -8.128 1.00 0.00 C ATOM 1238 C PHE A 80 6.794 7.208 -6.921 1.00 0.00 C ATOM 1239 O PHE A 80 6.750 8.429 -7.069 1.00 0.00 O ATOM 1240 CB PHE A 80 5.234 5.828 -8.287 1.00 0.00 C ATOM 1241 CG PHE A 80 4.240 6.982 -8.429 1.00 0.00 C ATOM 1242 CD1 PHE A 80 4.295 7.797 -9.517 1.00 0.00 C ATOM 1243 CD2 PHE A 80 3.301 7.194 -7.468 1.00 0.00 C ATOM 1244 CE1 PHE A 80 3.373 8.869 -9.649 1.00 0.00 C ATOM 1245 CE2 PHE A 80 2.379 8.266 -7.600 1.00 0.00 C ATOM 1246 CZ PHE A 80 2.434 9.080 -8.688 1.00 0.00 C ATOM 0 H PHE A 80 7.053 4.375 -7.323 1.00 0.00 H new ATOM 0 HA PHE A 80 7.045 6.817 -9.004 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.156 5.185 -9.164 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.954 5.225 -7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.040 7.629 -10.281 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.257 6.547 -6.604 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.417 9.517 -10.512 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.634 8.435 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.732 9.894 -8.789 1.00 0.00 H new ATOM 1256 N TYR A 81 6.931 6.599 -5.752 1.00 0.00 N ATOM 1257 CA TYR A 81 7.043 7.361 -4.520 1.00 0.00 C ATOM 1258 C TYR A 81 7.501 6.469 -3.364 1.00 0.00 C ATOM 1259 O TYR A 81 7.540 5.247 -3.496 1.00 0.00 O ATOM 1260 CB TYR A 81 5.637 7.884 -4.218 1.00 0.00 C ATOM 1261 CG TYR A 81 5.287 9.184 -4.945 1.00 0.00 C ATOM 1262 CD1 TYR A 81 6.216 10.202 -5.023 1.00 0.00 C ATOM 1263 CD2 TYR A 81 4.044 9.339 -5.522 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.887 11.426 -5.707 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.714 10.562 -6.206 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.652 11.545 -6.265 1.00 0.00 C ATOM 1267 OH TYR A 81 4.342 12.701 -6.911 1.00 0.00 O ATOM 0 H TYR A 81 6.967 5.587 -5.632 1.00 0.00 H new ATOM 0 HA TYR A 81 7.773 8.163 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.910 7.120 -4.492 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.543 8.044 -3.144 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.189 10.081 -4.571 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.318 8.542 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.604 12.231 -5.775 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.744 10.696 -6.662 1.00 0.00 H new ATOM 0 HH TYR A 81 3.428 12.645 -7.261 1.00 0.00 H new ATOM 1277 N VAL A 82 7.837 7.115 -2.257 1.00 0.00 N ATOM 1278 CA VAL A 82 8.291 6.396 -1.079 1.00 0.00 C ATOM 1279 C VAL A 82 7.325 6.660 0.078 1.00 0.00 C ATOM 1280 O VAL A 82 6.783 7.757 0.201 1.00 0.00 O ATOM 1281 CB VAL A 82 9.735 6.785 -0.753 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.304 5.899 0.357 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.614 6.729 -2.004 1.00 0.00 C ATOM 0 H VAL A 82 7.804 8.129 -2.151 1.00 0.00 H new ATOM 0 HA VAL A 82 8.291 5.322 -1.264 1.00 0.00 H new ATOM 0 HB VAL A 82 9.731 7.814 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.331 6.196 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.700 6.011 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.287 4.857 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.635 7.010 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.608 5.717 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.227 7.421 -2.752 1.00 0.00 H new ATOM 1293 N PHE A 83 7.139 5.634 0.896 1.00 0.00 N ATOM 1294 CA PHE A 83 6.248 5.741 2.039 1.00 0.00 C ATOM 1295 C PHE A 83 6.874 5.108 3.283 1.00 0.00 C ATOM 1296 O PHE A 83 7.299 3.954 3.250 1.00 0.00 O ATOM 1297 CB PHE A 83 4.970 4.980 1.682 1.00 0.00 C ATOM 1298 CG PHE A 83 4.094 5.687 0.646 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.418 6.818 0.984 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.990 5.185 -0.614 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.605 7.475 0.023 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.177 5.841 -1.576 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.502 6.972 -1.237 1.00 0.00 C ATOM 0 H PHE A 83 7.590 4.725 0.790 1.00 0.00 H new ATOM 0 HA PHE A 83 6.049 6.790 2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.240 3.995 1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.387 4.823 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.500 7.217 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.526 4.287 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.069 8.373 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.095 5.442 -2.576 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.884 7.471 -1.968 1.00 0.00 H new ATOM 1313 N LYS A 84 6.910 5.890 4.352 1.00 0.00 N ATOM 1314 CA LYS A 84 7.477 5.420 5.604 1.00 0.00 C ATOM 1315 C LYS A 84 6.354 5.227 6.626 1.00 0.00 C ATOM 1316 O LYS A 84 5.415 6.019 6.679 1.00 0.00 O ATOM 1317 CB LYS A 84 8.584 6.364 6.079 1.00 0.00 C ATOM 1318 CG LYS A 84 9.046 6.001 7.492 1.00 0.00 C ATOM 1319 CD LYS A 84 9.568 7.233 8.232 1.00 0.00 C ATOM 1320 CE LYS A 84 10.994 7.007 8.737 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.303 7.931 9.850 1.00 0.00 N ATOM 0 H LYS A 84 6.556 6.846 4.377 1.00 0.00 H new ATOM 0 HA LYS A 84 7.954 4.450 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.429 6.314 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.222 7.392 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.217 5.563 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.830 5.245 7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.547 8.097 7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.913 7.461 9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.109 5.976 9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.703 7.159 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.275 7.764 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.214 8.913 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.638 7.766 10.633 1.00 0.00 H new ATOM 1335 N ALA A 85 6.489 4.168 7.411 1.00 0.00 N ATOM 1336 CA ALA A 85 5.497 3.860 8.428 1.00 0.00 C ATOM 1337 C ALA A 85 6.109 4.078 9.813 1.00 0.00 C ATOM 1338 O ALA A 85 7.287 3.793 10.028 1.00 0.00 O ATOM 1339 CB ALA A 85 4.993 2.429 8.232 1.00 0.00 C ATOM 0 H ALA A 85 7.269 3.513 7.364 1.00 0.00 H new ATOM 0 HA ALA A 85 4.637 4.524 8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.249 2.198 8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.542 2.334 7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.828 1.734 8.317 1.00 0.00 H new ATOM 1345 N ASP A 86 5.282 4.581 10.718 1.00 0.00 N ATOM 1346 CA ASP A 86 5.728 4.841 12.076 1.00 0.00 C ATOM 1347 C ASP A 86 6.378 3.578 12.645 1.00 0.00 C ATOM 1348 O ASP A 86 7.574 3.566 12.931 1.00 0.00 O ATOM 1349 CB ASP A 86 4.551 5.214 12.980 1.00 0.00 C ATOM 1350 CG ASP A 86 4.478 6.692 13.369 1.00 0.00 C ATOM 1351 OD1 ASP A 86 5.342 7.451 12.879 1.00 0.00 O ATOM 1352 OD2 ASP A 86 3.560 7.029 14.148 1.00 0.00 O ATOM 0 H ASP A 86 4.306 4.815 10.537 1.00 0.00 H new ATOM 0 HA ASP A 86 6.437 5.669 12.046 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.624 4.940 12.476 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.608 4.617 13.890 1.00 0.00 H new ATOM 1357 N ASP A 87 5.561 2.545 12.793 1.00 0.00 N ATOM 1358 CA ASP A 87 6.042 1.281 13.322 1.00 0.00 C ATOM 1359 C ASP A 87 6.419 0.357 12.162 1.00 0.00 C ATOM 1360 O ASP A 87 6.203 0.695 10.999 1.00 0.00 O ATOM 1361 CB ASP A 87 4.960 0.583 14.149 1.00 0.00 C ATOM 1362 CG ASP A 87 4.441 1.386 15.344 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.291 1.983 16.039 1.00 0.00 O ATOM 1364 OD2 ASP A 87 3.206 1.385 15.534 1.00 0.00 O ATOM 0 H ASP A 87 4.569 2.558 12.556 1.00 0.00 H new ATOM 0 HA ASP A 87 6.904 1.487 13.956 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.120 0.348 13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.356 -0.365 14.512 1.00 0.00 H new ATOM 1369 N ALA A 88 6.977 -0.791 12.518 1.00 0.00 N ATOM 1370 CA ALA A 88 7.386 -1.765 11.521 1.00 0.00 C ATOM 1371 C ALA A 88 6.186 -2.636 11.143 1.00 0.00 C ATOM 1372 O ALA A 88 5.925 -2.860 9.962 1.00 0.00 O ATOM 1373 CB ALA A 88 8.556 -2.589 12.063 1.00 0.00 C ATOM 0 H ALA A 88 7.155 -1.068 13.483 1.00 0.00 H new ATOM 0 HA ALA A 88 7.730 -1.266 10.615 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.863 -3.320 11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.393 -1.928 12.289 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.247 -3.107 12.971 1.00 0.00 H new ATOM 1379 N HIS A 89 5.488 -3.103 12.167 1.00 0.00 N ATOM 1380 CA HIS A 89 4.322 -3.944 11.957 1.00 0.00 C ATOM 1381 C HIS A 89 3.428 -3.323 10.882 1.00 0.00 C ATOM 1382 O HIS A 89 3.034 -3.997 9.931 1.00 0.00 O ATOM 1383 CB HIS A 89 3.583 -4.188 13.274 1.00 0.00 C ATOM 1384 CG HIS A 89 4.144 -5.326 14.092 1.00 0.00 C ATOM 1385 ND1 HIS A 89 3.957 -6.655 13.755 1.00 0.00 N ATOM 1386 CD2 HIS A 89 4.890 -5.320 15.234 1.00 0.00 C ATOM 1387 CE1 HIS A 89 4.566 -7.406 14.661 1.00 0.00 C ATOM 1388 NE2 HIS A 89 5.143 -6.577 15.577 1.00 0.00 N ATOM 0 H HIS A 89 5.707 -2.915 13.145 1.00 0.00 H new ATOM 0 HA HIS A 89 4.637 -4.924 11.598 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.614 -3.276 13.870 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.534 -4.392 13.058 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.219 -4.441 15.769 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.599 -8.485 14.672 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.680 -6.874 16.392 1.00 0.00 H new ATOM 1396 N SER A 90 3.134 -2.044 11.068 1.00 0.00 N ATOM 1397 CA SER A 90 2.294 -1.324 10.126 1.00 0.00 C ATOM 1398 C SER A 90 2.789 -1.561 8.698 1.00 0.00 C ATOM 1399 O SER A 90 2.011 -1.938 7.822 1.00 0.00 O ATOM 1400 CB SER A 90 2.273 0.173 10.440 1.00 0.00 C ATOM 1401 OG SER A 90 3.487 0.608 11.046 1.00 0.00 O ATOM 0 H SER A 90 3.463 -1.488 11.857 1.00 0.00 H new ATOM 0 HA SER A 90 1.275 -1.701 10.218 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.105 0.734 9.521 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.437 0.392 11.104 1.00 0.00 H new ATOM 0 HG SER A 90 4.235 0.442 10.435 1.00 0.00 H new ATOM 1407 N THR A 91 4.079 -1.329 8.506 1.00 0.00 N ATOM 1408 CA THR A 91 4.687 -1.512 7.199 1.00 0.00 C ATOM 1409 C THR A 91 4.141 -2.775 6.529 1.00 0.00 C ATOM 1410 O THR A 91 3.425 -2.693 5.533 1.00 0.00 O ATOM 1411 CB THR A 91 6.205 -1.529 7.382 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.476 -0.358 8.147 1.00 0.00 O ATOM 1413 CG2 THR A 91 6.956 -1.298 6.068 1.00 0.00 C ATOM 0 H THR A 91 4.721 -1.016 9.234 1.00 0.00 H new ATOM 0 HA THR A 91 4.436 -0.691 6.527 1.00 0.00 H new ATOM 0 HB THR A 91 6.508 -2.484 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.767 0.363 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.030 -1.320 6.254 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.695 -2.082 5.357 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.679 -0.328 5.656 1.00 0.00 H new ATOM 1421 N GLN A 92 4.500 -3.913 7.104 1.00 0.00 N ATOM 1422 CA GLN A 92 4.055 -5.191 6.576 1.00 0.00 C ATOM 1423 C GLN A 92 2.607 -5.091 6.092 1.00 0.00 C ATOM 1424 O GLN A 92 2.319 -5.352 4.925 1.00 0.00 O ATOM 1425 CB GLN A 92 4.208 -6.300 7.619 1.00 0.00 C ATOM 1426 CG GLN A 92 5.624 -6.879 7.599 1.00 0.00 C ATOM 1427 CD GLN A 92 5.880 -7.657 6.306 1.00 0.00 C ATOM 1428 OE1 GLN A 92 6.494 -6.949 5.362 1.00 0.00 O flip ATOM 1429 NE2 GLN A 92 5.542 -8.822 6.174 1.00 0.00 N flip ATOM 0 H GLN A 92 5.094 -3.977 7.931 1.00 0.00 H new ATOM 0 HA GLN A 92 4.686 -5.448 5.725 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.987 -5.905 8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.485 -7.091 7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.352 -6.073 7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.764 -7.536 8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.074 -9.307 6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.728 -9.311 5.298 1.00 0.00 H new ATOM 1438 N ARG A 93 1.734 -4.711 7.013 1.00 0.00 N ATOM 1439 CA ARG A 93 0.323 -4.573 6.695 1.00 0.00 C ATOM 1440 C ARG A 93 0.142 -3.706 5.448 1.00 0.00 C ATOM 1441 O ARG A 93 -0.519 -4.113 4.494 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.445 -3.945 7.860 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.661 -4.959 8.985 1.00 0.00 C ATOM 1444 CD ARG A 93 0.294 -4.696 10.151 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.410 -4.901 11.437 1.00 0.00 N ATOM 1446 CZ ARG A 93 -0.891 -6.081 11.851 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -0.748 -7.170 11.082 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.515 -6.174 13.033 1.00 0.00 N ATOM 0 H ARG A 93 1.976 -4.494 7.980 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.074 -5.571 6.508 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.106 -3.085 8.242 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.408 -3.576 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.692 -4.905 9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.506 -5.969 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.153 -5.364 10.086 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.678 -3.677 10.095 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.537 -4.093 12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.273 -7.100 10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.114 -8.068 11.397 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.624 -5.346 13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.881 -7.073 13.347 1.00 0.00 H new ATOM 1462 N TRP A 94 0.742 -2.525 5.495 1.00 0.00 N ATOM 1463 CA TRP A 94 0.656 -1.597 4.380 1.00 0.00 C ATOM 1464 C TRP A 94 1.140 -2.322 3.123 1.00 0.00 C ATOM 1465 O TRP A 94 0.438 -2.356 2.113 1.00 0.00 O ATOM 1466 CB TRP A 94 1.442 -0.317 4.671 1.00 0.00 C ATOM 1467 CG TRP A 94 0.669 0.712 5.499 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.845 1.034 6.788 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.414 1.547 5.039 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.042 2.011 7.191 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.833 2.333 6.094 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.021 1.636 3.774 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.874 3.263 5.992 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.061 2.570 3.688 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.494 3.368 4.740 1.00 0.00 C ATOM 0 H TRP A 94 1.289 -2.190 6.288 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.374 -1.277 4.223 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.359 -0.578 5.199 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.737 0.139 3.726 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.588 0.585 7.431 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.106 2.422 8.123 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.710 1.032 2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.183 3.867 6.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.562 2.678 2.737 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.305 4.066 4.593 1.00 0.00 H new ATOM 1486 N ILE A 95 2.335 -2.885 3.225 1.00 0.00 N ATOM 1487 CA ILE A 95 2.920 -3.607 2.109 1.00 0.00 C ATOM 1488 C ILE A 95 1.876 -4.556 1.516 1.00 0.00 C ATOM 1489 O ILE A 95 1.478 -4.405 0.362 1.00 0.00 O ATOM 1490 CB ILE A 95 4.211 -4.306 2.540 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.267 -3.288 2.975 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.728 -5.233 1.438 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.436 -3.978 3.681 1.00 0.00 C ATOM 0 H ILE A 95 2.914 -2.855 4.064 1.00 0.00 H new ATOM 0 HA ILE A 95 3.208 -2.915 1.318 1.00 0.00 H new ATOM 0 HB ILE A 95 3.988 -4.929 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.633 -2.744 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.816 -2.554 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.646 -5.717 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.977 -5.992 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.930 -4.652 0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.172 -3.232 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.070 -4.501 4.565 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.900 -4.694 3.002 1.00 0.00 H new ATOM 1505 N ASP A 96 1.461 -5.512 2.334 1.00 0.00 N ATOM 1506 CA ASP A 96 0.470 -6.485 1.906 1.00 0.00 C ATOM 1507 C ASP A 96 -0.773 -5.751 1.399 1.00 0.00 C ATOM 1508 O ASP A 96 -1.352 -6.132 0.382 1.00 0.00 O ATOM 1509 CB ASP A 96 0.046 -7.387 3.066 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.113 -8.866 2.711 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.896 -9.145 1.778 1.00 0.00 O ATOM 1512 OD2 ASP A 96 0.554 -9.685 3.381 1.00 0.00 O ATOM 0 H ASP A 96 1.793 -5.634 3.291 1.00 0.00 H new ATOM 0 HA ASP A 96 0.914 -7.095 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.783 -7.298 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.900 -7.021 3.464 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.147 -4.711 2.130 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.310 -3.920 1.766 1.00 0.00 C ATOM 1519 C ALA A 97 -2.166 -3.442 0.320 1.00 0.00 C ATOM 1520 O ALA A 97 -3.084 -3.597 -0.483 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.467 -2.760 2.751 1.00 0.00 C ATOM 0 H ALA A 97 -0.665 -4.398 2.973 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.217 -4.522 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.340 -2.166 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.597 -3.154 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.577 -2.132 2.719 1.00 0.00 H new ATOM 1527 N PHE A 98 -1.005 -2.871 0.033 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.729 -2.370 -1.303 1.00 0.00 C ATOM 1529 C PHE A 98 -0.595 -3.520 -2.303 1.00 0.00 C ATOM 1530 O PHE A 98 -1.216 -3.499 -3.365 1.00 0.00 O ATOM 1531 CB PHE A 98 0.600 -1.615 -1.231 1.00 0.00 C ATOM 1532 CG PHE A 98 0.449 -0.112 -0.986 1.00 0.00 C ATOM 1533 CD1 PHE A 98 0.409 0.370 0.285 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.354 0.742 -2.040 1.00 0.00 C ATOM 1535 CE1 PHE A 98 0.269 1.765 0.512 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.214 2.137 -1.814 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.174 2.619 -0.543 1.00 0.00 C ATOM 0 H PHE A 98 -0.246 -2.744 0.702 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.545 -1.728 -1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.207 -2.044 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.144 -1.768 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.484 -0.308 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.385 0.359 -3.049 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.238 2.148 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.139 2.815 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.067 3.680 -0.371 1.00 0.00 H new ATOM 1547 N GLN A 99 0.220 -4.495 -1.929 1.00 0.00 N ATOM 1548 CA GLN A 99 0.444 -5.651 -2.781 1.00 0.00 C ATOM 1549 C GLN A 99 -0.890 -6.298 -3.158 1.00 0.00 C ATOM 1550 O GLN A 99 -1.200 -6.445 -4.339 1.00 0.00 O ATOM 1551 CB GLN A 99 1.370 -6.661 -2.101 1.00 0.00 C ATOM 1552 CG GLN A 99 2.820 -6.462 -2.548 1.00 0.00 C ATOM 1553 CD GLN A 99 2.973 -6.725 -4.047 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.225 -7.475 -4.652 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.982 -6.067 -4.612 1.00 0.00 N ATOM 0 H GLN A 99 0.733 -4.509 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 99 0.934 -5.316 -3.695 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.301 -6.552 -1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.048 -7.674 -2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.138 -5.445 -2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.472 -7.133 -1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.571 -5.454 -4.048 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.167 -6.175 -5.609 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.643 -6.668 -2.133 1.00 0.00 N ATOM 1565 CA GLU A 100 -2.937 -7.296 -2.342 1.00 0.00 C ATOM 1566 C GLU A 100 -3.829 -6.399 -3.203 1.00 0.00 C ATOM 1567 O GLU A 100 -4.596 -6.891 -4.030 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.611 -7.621 -1.008 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.221 -9.018 -0.522 1.00 0.00 C ATOM 1570 CD GLU A 100 -4.374 -9.676 0.238 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -5.520 -9.542 -0.242 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -4.083 -10.299 1.282 1.00 0.00 O ATOM 0 H GLU A 100 -1.382 -6.545 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.781 -8.236 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.325 -6.880 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.694 -7.560 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.941 -9.638 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.346 -8.951 0.125 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.699 -5.100 -2.980 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.484 -4.130 -3.725 1.00 0.00 C ATOM 1581 C GLY A 101 -4.169 -4.203 -5.221 1.00 0.00 C ATOM 1582 O GLY A 101 -5.067 -4.393 -6.039 1.00 0.00 O ATOM 0 H GLY A 101 -3.062 -4.696 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.546 -4.315 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.276 -3.126 -3.354 1.00 0.00 H new ATOM 1586 N THR A 102 -2.891 -4.048 -5.532 1.00 0.00 N ATOM 1587 CA THR A 102 -2.446 -4.093 -6.914 1.00 0.00 C ATOM 1588 C THR A 102 -2.843 -5.423 -7.558 1.00 0.00 C ATOM 1589 O THR A 102 -3.292 -5.454 -8.703 1.00 0.00 O ATOM 1590 CB THR A 102 -0.939 -3.833 -6.935 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.412 -4.771 -6.001 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.571 -2.471 -6.344 1.00 0.00 C ATOM 0 H THR A 102 -2.149 -3.891 -4.850 1.00 0.00 H new ATOM 0 HA THR A 102 -2.931 -3.321 -7.511 1.00 0.00 H new ATOM 0 HB THR A 102 -0.575 -3.893 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.146 -5.171 -5.490 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.510 -2.337 -6.383 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.055 -1.682 -6.919 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.905 -2.422 -5.308 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.662 -6.491 -6.794 1.00 0.00 N ATOM 1601 CA VAL A 103 -2.995 -7.821 -7.276 1.00 0.00 C ATOM 1602 C VAL A 103 -4.474 -8.102 -7.001 1.00 0.00 C ATOM 1603 O VAL A 103 -5.247 -7.182 -6.742 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.062 -8.855 -6.644 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.597 -8.520 -6.932 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.312 -8.973 -5.139 1.00 0.00 C ATOM 0 H VAL A 103 -2.289 -6.462 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.847 -7.886 -8.354 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.280 -9.823 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.045 -9.271 -6.471 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.431 -8.512 -8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.361 -7.539 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.635 -9.715 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.136 -8.008 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.343 -9.281 -4.964 1.00 0.00 H new