USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 609 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 Single : A 12 CYS SG : rot 90:sc= -1.91 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 24:sc= 0.0717! USER MOD Single : A 21 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 120:sc= -1.72 USER MOD Single : A 36 MET CE :methyl -117:sc= -0.151 (180deg=-3.28!) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -0.531 X(o=-0.53,f=-0.71) USER MOD Single : A 60 ASN : amide:sc= -8.07! C(o=-8.1!,f=-5.1!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.18 K(o=-0.18,f=-1.9) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -109:sc= 0.479 (180deg=0) USER MOD Single : A 79 SER OG : rot -112:sc=0.000452 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -166:sc= 0 (180deg=-0.24) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.542 -8.509 -12.352 1.00 0.00 N ATOM 84 CA PRO A 9 -0.729 -7.519 -11.287 1.00 0.00 C ATOM 85 C PRO A 9 -0.415 -6.101 -11.751 1.00 0.00 C ATOM 86 O PRO A 9 0.032 -5.892 -12.879 1.00 0.00 O ATOM 87 CB PRO A 9 0.265 -7.963 -10.211 1.00 0.00 C ATOM 88 CG PRO A 9 1.319 -8.709 -10.954 1.00 0.00 C ATOM 89 CD PRO A 9 0.618 -9.381 -12.103 1.00 0.00 C ATOM 0 HA PRO A 9 -1.762 -7.482 -10.942 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.684 -7.107 -9.682 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.216 -8.595 -9.464 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.096 -8.034 -11.312 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.805 -9.442 -10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.262 -9.453 -12.980 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.311 -10.395 -11.848 1.00 0.00 H new ATOM 97 N ARG A 10 -0.650 -5.131 -10.874 1.00 0.00 N ATOM 98 CA ARG A 10 -0.392 -3.732 -11.195 1.00 0.00 C ATOM 99 C ARG A 10 0.818 -3.212 -10.425 1.00 0.00 C ATOM 100 O ARG A 10 0.903 -3.362 -9.206 1.00 0.00 O ATOM 101 CB ARG A 10 -1.620 -2.878 -10.874 1.00 0.00 C ATOM 102 CG ARG A 10 -1.463 -1.416 -11.260 1.00 0.00 C ATOM 103 CD ARG A 10 -2.805 -0.701 -11.288 1.00 0.00 C ATOM 104 NE ARG A 10 -2.732 0.572 -12.001 1.00 0.00 N ATOM 105 CZ ARG A 10 -2.823 0.680 -13.322 1.00 0.00 C ATOM 106 NH1 ARG A 10 -2.989 -0.402 -14.069 1.00 0.00 N ATOM 107 NH2 ARG A 10 -2.747 1.873 -13.898 1.00 0.00 N ATOM 0 H ARG A 10 -1.018 -5.288 -9.936 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.179 -3.663 -12.262 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.485 -3.291 -11.393 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.828 -2.943 -9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.800 -0.920 -10.551 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.991 -1.346 -12.240 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.547 -1.341 -11.765 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.144 -0.526 -10.267 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.604 1.424 -11.455 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.047 -1.321 -13.630 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.059 -0.316 -15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.619 2.708 -13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.817 1.955 -14.912 1.00 0.00 H new ATOM 121 N LEU A 11 1.752 -2.600 -11.145 1.00 0.00 N ATOM 122 CA LEU A 11 2.959 -2.058 -10.530 1.00 0.00 C ATOM 123 C LEU A 11 2.741 -0.616 -10.082 1.00 0.00 C ATOM 124 O LEU A 11 2.508 0.271 -10.904 1.00 0.00 O ATOM 125 CB LEU A 11 4.131 -2.128 -11.511 1.00 0.00 C ATOM 126 CG LEU A 11 5.518 -1.879 -10.918 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.585 -0.501 -10.278 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.866 -2.958 -9.904 1.00 0.00 C ATOM 0 H LEU A 11 1.697 -2.467 -12.155 1.00 0.00 H new ATOM 0 HA LEU A 11 3.192 -2.661 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.129 -3.113 -11.979 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.960 -1.399 -12.303 1.00 0.00 H new ATOM 0 HG LEU A 11 6.250 -1.918 -11.725 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.579 -0.341 -9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.381 0.260 -11.031 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.843 -0.433 -9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.857 -2.765 -9.492 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.131 -2.952 -9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.860 -3.932 -10.393 1.00 0.00 H new ATOM 140 N CYS A 12 2.820 -0.390 -8.776 1.00 0.00 N ATOM 141 CA CYS A 12 2.633 0.945 -8.219 1.00 0.00 C ATOM 142 C CYS A 12 3.972 1.569 -7.840 1.00 0.00 C ATOM 143 O CYS A 12 4.519 1.291 -6.773 1.00 0.00 O ATOM 144 CB CYS A 12 1.720 0.886 -6.993 1.00 0.00 C ATOM 145 SG CYS A 12 0.088 0.181 -7.322 1.00 0.00 S ATOM 0 H CYS A 12 3.012 -1.113 -8.083 1.00 0.00 H new ATOM 0 HA CYS A 12 2.165 1.567 -8.982 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.209 0.297 -6.217 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.596 1.894 -6.597 1.00 0.00 H new ATOM 0 HG CYS A 12 0.126 -1.105 -7.137 1.00 0.00 H new ATOM 151 N TYR A 13 4.496 2.413 -8.723 1.00 0.00 N ATOM 152 CA TYR A 13 5.774 3.073 -8.484 1.00 0.00 C ATOM 153 C TYR A 13 5.591 4.314 -7.615 1.00 0.00 C ATOM 154 O TYR A 13 5.098 5.343 -8.077 1.00 0.00 O ATOM 155 CB TYR A 13 6.429 3.458 -9.811 1.00 0.00 C ATOM 156 CG TYR A 13 7.940 3.424 -9.773 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.633 2.243 -10.013 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.674 4.570 -9.497 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.014 2.206 -9.978 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.055 4.543 -9.462 1.00 0.00 C ATOM 161 CZ TYR A 13 10.720 3.359 -9.703 1.00 0.00 C ATOM 162 OH TYR A 13 12.096 3.327 -9.668 1.00 0.00 O ATOM 0 H TYR A 13 4.055 2.656 -9.610 1.00 0.00 H new ATOM 0 HA TYR A 13 6.423 2.374 -7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.078 2.781 -10.590 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.103 4.460 -10.090 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.083 1.339 -10.230 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.156 5.499 -9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.538 1.280 -10.165 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.611 5.444 -9.247 1.00 0.00 H new ATOM 0 HH TYR A 13 12.439 4.222 -9.462 1.00 0.00 H new ATOM 172 N LEU A 14 5.994 4.209 -6.353 1.00 0.00 N ATOM 173 CA LEU A 14 5.877 5.322 -5.418 1.00 0.00 C ATOM 174 C LEU A 14 7.121 6.204 -5.462 1.00 0.00 C ATOM 175 O LEU A 14 8.221 5.729 -5.742 1.00 0.00 O ATOM 176 CB LEU A 14 5.659 4.799 -3.997 1.00 0.00 C ATOM 177 CG LEU A 14 4.210 4.507 -3.604 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.526 5.772 -3.109 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.448 3.912 -4.779 1.00 0.00 C ATOM 0 H LEU A 14 6.404 3.365 -5.954 1.00 0.00 H new ATOM 0 HA LEU A 14 5.017 5.923 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.239 3.884 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.064 5.529 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 14 4.214 3.779 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.496 5.545 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.058 6.156 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.533 6.523 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.419 3.711 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.454 4.617 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.925 2.982 -5.088 1.00 0.00 H new ATOM 191 N VAL A 15 6.938 7.490 -5.181 1.00 0.00 N ATOM 192 CA VAL A 15 8.046 8.438 -5.185 1.00 0.00 C ATOM 193 C VAL A 15 7.881 9.480 -4.084 1.00 0.00 C ATOM 194 O VAL A 15 6.824 10.096 -3.950 1.00 0.00 O ATOM 195 CB VAL A 15 8.166 9.155 -6.542 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.164 10.300 -6.456 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.564 8.171 -7.631 1.00 0.00 C ATOM 0 H VAL A 15 6.033 7.899 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 15 8.955 7.864 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 15 7.193 9.573 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.235 10.794 -7.425 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.831 11.017 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.142 9.910 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.644 8.695 -8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.525 7.722 -7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.808 7.390 -7.709 1.00 0.00 H new ATOM 207 N LYS A 16 8.935 9.674 -3.298 1.00 0.00 N ATOM 208 CA LYS A 16 8.910 10.644 -2.209 1.00 0.00 C ATOM 209 C LYS A 16 8.470 12.015 -2.712 1.00 0.00 C ATOM 210 O LYS A 16 9.136 12.622 -3.550 1.00 0.00 O ATOM 211 CB LYS A 16 10.291 10.746 -1.558 1.00 0.00 C ATOM 212 CG LYS A 16 10.514 9.739 -0.443 1.00 0.00 C ATOM 213 CD LYS A 16 11.598 10.201 0.516 1.00 0.00 C ATOM 214 CE LYS A 16 11.494 9.491 1.857 1.00 0.00 C ATOM 215 NZ LYS A 16 12.779 9.535 2.609 1.00 0.00 N ATOM 0 H LYS A 16 9.818 9.172 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 16 8.190 10.301 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.055 10.604 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.422 11.752 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.583 9.588 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.792 8.776 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.578 10.012 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.518 11.278 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.708 9.955 2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.202 8.453 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.667 9.041 3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.524 9.070 2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.045 10.525 2.784 1.00 0.00 H new ATOM 229 N GLU A 17 7.345 12.498 -2.193 1.00 0.00 N ATOM 230 CA GLU A 17 6.818 13.798 -2.590 1.00 0.00 C ATOM 231 C GLU A 17 6.705 14.729 -1.386 1.00 0.00 C ATOM 232 O GLU A 17 7.327 15.790 -1.348 1.00 0.00 O ATOM 233 CB GLU A 17 5.449 13.637 -3.254 1.00 0.00 C ATOM 234 CG GLU A 17 4.772 14.958 -3.581 1.00 0.00 C ATOM 235 CD GLU A 17 3.870 14.866 -4.797 1.00 0.00 C ATOM 236 OE1 GLU A 17 4.362 14.462 -5.871 1.00 0.00 O ATOM 237 OE2 GLU A 17 2.673 15.198 -4.673 1.00 0.00 O ATOM 0 H GLU A 17 6.782 12.009 -1.497 1.00 0.00 H new ATOM 0 HA GLU A 17 7.511 14.240 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.565 13.061 -4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.801 13.059 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.185 15.284 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.533 15.719 -3.754 1.00 0.00 H new ATOM 244 N GLY A 18 5.905 14.324 -0.404 1.00 0.00 N ATOM 245 CA GLY A 18 5.723 15.133 0.787 1.00 0.00 C ATOM 246 C GLY A 18 6.093 14.389 2.055 1.00 0.00 C ATOM 247 O GLY A 18 6.436 13.208 2.012 1.00 0.00 O ATOM 0 H GLY A 18 5.380 13.450 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.332 16.034 0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.683 15.455 0.848 1.00 0.00 H new ATOM 251 N GLY A 19 6.025 15.082 3.187 1.00 0.00 N ATOM 252 CA GLY A 19 6.359 14.464 4.457 1.00 0.00 C ATOM 253 C GLY A 19 5.968 13.001 4.510 1.00 0.00 C ATOM 254 O GLY A 19 6.755 12.156 4.936 1.00 0.00 O ATOM 0 H GLY A 19 5.744 16.061 3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.431 14.557 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.857 15.001 5.262 1.00 0.00 H new ATOM 258 N SER A 20 4.747 12.700 4.079 1.00 0.00 N ATOM 259 CA SER A 20 4.250 11.329 4.084 1.00 0.00 C ATOM 260 C SER A 20 3.832 10.897 2.682 1.00 0.00 C ATOM 261 O SER A 20 3.076 11.594 2.005 1.00 0.00 O ATOM 262 CB SER A 20 3.067 11.197 5.045 1.00 0.00 C ATOM 263 OG SER A 20 1.899 11.784 4.498 1.00 0.00 O ATOM 0 H SER A 20 4.084 13.387 3.722 1.00 0.00 H new ATOM 0 HA SER A 20 5.057 10.677 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.883 10.144 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.309 11.677 5.993 1.00 0.00 H new ATOM 0 HG SER A 20 1.973 11.811 3.521 1.00 0.00 H new ATOM 269 N TYR A 21 4.331 9.743 2.253 1.00 0.00 N ATOM 270 CA TYR A 21 4.012 9.218 0.930 1.00 0.00 C ATOM 271 C TYR A 21 2.543 9.452 0.590 1.00 0.00 C ATOM 272 O TYR A 21 2.216 10.260 -0.278 1.00 0.00 O ATOM 273 CB TYR A 21 4.331 7.723 0.862 1.00 0.00 C ATOM 274 CG TYR A 21 5.779 7.427 0.545 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.225 7.366 -0.770 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.702 7.207 1.560 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.547 7.095 -1.064 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.026 6.936 1.275 1.00 0.00 C ATOM 279 CZ TYR A 21 8.444 6.882 -0.038 1.00 0.00 C ATOM 280 OH TYR A 21 9.762 6.611 -0.326 1.00 0.00 O ATOM 0 H TYR A 21 4.957 9.154 2.801 1.00 0.00 H new ATOM 0 HA TYR A 21 4.624 9.748 0.199 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.075 7.262 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.700 7.259 0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.526 7.533 -1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.379 7.249 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.877 7.050 -2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.730 6.767 2.076 1.00 0.00 H new ATOM 0 HH TYR A 21 10.261 6.488 0.509 1.00 0.00 H new ATOM 290 N GLY A 22 1.661 8.739 1.284 1.00 0.00 N ATOM 291 CA GLY A 22 0.237 8.883 1.043 1.00 0.00 C ATOM 292 C GLY A 22 -0.511 7.572 1.189 1.00 0.00 C ATOM 293 O GLY A 22 -1.491 7.327 0.486 1.00 0.00 O ATOM 0 H GLY A 22 1.907 8.065 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.175 9.612 1.741 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.080 9.278 0.039 1.00 0.00 H new ATOM 297 N PHE A 23 -0.048 6.728 2.105 1.00 0.00 N ATOM 298 CA PHE A 23 -0.678 5.434 2.340 1.00 0.00 C ATOM 299 C PHE A 23 -0.390 4.937 3.753 1.00 0.00 C ATOM 300 O PHE A 23 0.654 5.242 4.330 1.00 0.00 O ATOM 301 CB PHE A 23 -0.185 4.409 1.317 1.00 0.00 C ATOM 302 CG PHE A 23 1.287 4.123 1.417 1.00 0.00 C ATOM 303 CD1 PHE A 23 1.779 3.299 2.416 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.177 4.677 0.511 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.132 3.034 2.511 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.531 4.415 0.601 1.00 0.00 C ATOM 307 CZ PHE A 23 4.009 3.593 1.603 1.00 0.00 C ATOM 0 H PHE A 23 0.761 6.917 2.697 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.755 5.558 2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.738 3.479 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.409 4.772 0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.097 2.859 3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.809 5.321 -0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.503 2.390 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.215 4.853 -0.111 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.067 3.388 1.676 1.00 0.00 H new ATOM 317 N SER A 24 -1.325 4.171 4.307 1.00 0.00 N ATOM 318 CA SER A 24 -1.175 3.635 5.655 1.00 0.00 C ATOM 319 C SER A 24 -0.749 2.170 5.613 1.00 0.00 C ATOM 320 O SER A 24 -1.160 1.417 4.729 1.00 0.00 O ATOM 321 CB SER A 24 -2.485 3.775 6.431 1.00 0.00 C ATOM 322 OG SER A 24 -2.628 5.083 6.958 1.00 0.00 O ATOM 0 H SER A 24 -2.194 3.908 3.843 1.00 0.00 H new ATOM 0 HA SER A 24 -0.398 4.207 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.326 3.550 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.510 3.048 7.243 1.00 0.00 H new ATOM 0 HG SER A 24 -3.474 5.147 7.448 1.00 0.00 H new ATOM 328 N LEU A 25 0.076 1.773 6.575 1.00 0.00 N ATOM 329 CA LEU A 25 0.559 0.399 6.649 1.00 0.00 C ATOM 330 C LEU A 25 0.188 -0.237 7.986 1.00 0.00 C ATOM 331 O LEU A 25 0.467 0.319 9.048 1.00 0.00 O ATOM 332 CB LEU A 25 2.076 0.358 6.456 1.00 0.00 C ATOM 333 CG LEU A 25 2.590 0.809 5.089 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.088 0.570 4.977 1.00 0.00 C ATOM 335 CD2 LEU A 25 1.848 0.086 3.974 1.00 0.00 C ATOM 0 H LEU A 25 0.424 2.383 7.315 1.00 0.00 H new ATOM 0 HA LEU A 25 0.083 -0.170 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.537 0.984 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.417 -0.662 6.632 1.00 0.00 H new ATOM 0 HG LEU A 25 2.404 1.878 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.436 0.897 3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.605 1.134 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.297 -0.493 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.227 0.420 3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.001 -0.989 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.783 0.308 4.042 1.00 0.00 H new ATOM 347 N LYS A 26 -0.441 -1.405 7.925 1.00 0.00 N ATOM 348 CA LYS A 26 -0.848 -2.120 9.129 1.00 0.00 C ATOM 349 C LYS A 26 -0.891 -3.624 8.881 1.00 0.00 C ATOM 350 O LYS A 26 -1.329 -4.077 7.823 1.00 0.00 O ATOM 351 CB LYS A 26 -2.219 -1.630 9.599 1.00 0.00 C ATOM 352 CG LYS A 26 -3.380 -2.398 8.992 1.00 0.00 C ATOM 353 CD LYS A 26 -4.717 -1.802 9.399 1.00 0.00 C ATOM 354 CE LYS A 26 -5.806 -2.863 9.459 1.00 0.00 C ATOM 355 NZ LYS A 26 -5.814 -3.575 10.767 1.00 0.00 N ATOM 0 H LYS A 26 -0.681 -1.878 7.053 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.111 -1.919 9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.271 -1.708 10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.323 -0.574 9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.293 -2.391 7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.334 -3.440 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.621 -1.322 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.002 -1.026 8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.777 -2.397 9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.657 -3.583 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.570 -4.290 10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.896 -4.041 10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.982 -2.892 11.533 1.00 0.00 H new ATOM 369 N THR A 27 -0.436 -4.395 9.864 1.00 0.00 N ATOM 370 CA THR A 27 -0.423 -5.848 9.753 1.00 0.00 C ATOM 371 C THR A 27 -1.626 -6.464 10.457 1.00 0.00 C ATOM 372 O THR A 27 -2.289 -5.810 11.262 1.00 0.00 O ATOM 373 CB THR A 27 0.867 -6.446 10.346 1.00 0.00 C ATOM 374 OG1 THR A 27 0.923 -6.189 11.754 1.00 0.00 O ATOM 375 CG2 THR A 27 2.096 -5.859 9.669 1.00 0.00 C ATOM 0 H THR A 27 -0.071 -4.037 10.747 1.00 0.00 H new ATOM 0 HA THR A 27 -0.468 -6.084 8.690 1.00 0.00 H new ATOM 0 HB THR A 27 0.856 -7.522 10.173 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.745 -6.574 12.124 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.995 -6.296 10.104 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.065 -6.081 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.111 -4.779 9.815 1.00 0.00 H new ATOM 383 N VAL A 28 -1.903 -7.727 10.150 1.00 0.00 N ATOM 384 CA VAL A 28 -3.026 -8.433 10.756 1.00 0.00 C ATOM 385 C VAL A 28 -2.583 -9.768 11.344 1.00 0.00 C ATOM 386 O VAL A 28 -1.653 -10.400 10.844 1.00 0.00 O ATOM 387 CB VAL A 28 -4.150 -8.682 9.733 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.444 -9.052 10.441 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.346 -7.460 8.849 1.00 0.00 C ATOM 0 H VAL A 28 -1.365 -8.283 9.485 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.407 -7.796 11.555 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.860 -9.519 9.097 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.227 -9.224 9.702 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.292 -9.959 11.027 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.742 -8.239 11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.144 -7.654 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.614 -6.603 9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.421 -7.246 8.313 1.00 0.00 H new ATOM 467 N GLY A 33 2.053 -10.788 5.635 1.00 0.00 N ATOM 468 CA GLY A 33 2.682 -9.549 5.214 1.00 0.00 C ATOM 469 C GLY A 33 1.804 -8.339 5.465 1.00 0.00 C ATOM 470 O GLY A 33 0.661 -8.472 5.901 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.626 -9.426 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.919 -9.608 4.152 1.00 0.00 H new ATOM 474 N VAL A 34 2.341 -7.154 5.192 1.00 0.00 N ATOM 475 CA VAL A 34 1.599 -5.915 5.391 1.00 0.00 C ATOM 476 C VAL A 34 0.886 -5.490 4.113 1.00 0.00 C ATOM 477 O VAL A 34 1.203 -5.968 3.024 1.00 0.00 O ATOM 478 CB VAL A 34 2.526 -4.774 5.852 1.00 0.00 C ATOM 479 CG1 VAL A 34 3.258 -4.167 4.665 1.00 0.00 C ATOM 480 CG2 VAL A 34 1.733 -3.712 6.599 1.00 0.00 C ATOM 0 H VAL A 34 3.287 -7.026 4.833 1.00 0.00 H new ATOM 0 HA VAL A 34 0.860 -6.110 6.168 1.00 0.00 H new ATOM 0 HB VAL A 34 3.269 -5.187 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.908 -3.363 5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.859 -4.934 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.533 -3.768 3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.404 -2.914 6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.966 -3.301 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.260 -4.159 7.474 1.00 0.00 H new ATOM 490 N TYR A 35 -0.080 -4.589 4.253 1.00 0.00 N ATOM 491 CA TYR A 35 -0.841 -4.100 3.109 1.00 0.00 C ATOM 492 C TYR A 35 -1.448 -2.731 3.403 1.00 0.00 C ATOM 493 O TYR A 35 -1.589 -2.338 4.561 1.00 0.00 O ATOM 494 CB TYR A 35 -1.947 -5.092 2.744 1.00 0.00 C ATOM 495 CG TYR A 35 -2.949 -5.317 3.854 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.769 -4.286 4.296 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.077 -6.561 4.459 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.685 -4.487 5.310 1.00 0.00 C ATOM 499 CE2 TYR A 35 -3.992 -6.771 5.473 1.00 0.00 C ATOM 500 CZ TYR A 35 -4.793 -5.731 5.895 1.00 0.00 C ATOM 501 OH TYR A 35 -5.706 -5.936 6.904 1.00 0.00 O ATOM 0 H TYR A 35 -0.355 -4.182 5.147 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.157 -4.001 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.472 -4.729 1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.494 -6.046 2.476 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.689 -3.311 3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.451 -7.378 4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.313 -3.674 5.643 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.079 -7.744 5.932 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.341 -6.632 6.634 1.00 0.00 H new ATOM 511 N MET A 36 -1.804 -2.010 2.346 1.00 0.00 N ATOM 512 CA MET A 36 -2.397 -0.685 2.489 1.00 0.00 C ATOM 513 C MET A 36 -3.815 -0.782 3.044 1.00 0.00 C ATOM 514 O MET A 36 -4.599 -1.637 2.631 1.00 0.00 O ATOM 515 CB MET A 36 -2.414 0.038 1.141 1.00 0.00 C ATOM 516 CG MET A 36 -1.104 -0.071 0.377 1.00 0.00 C ATOM 517 SD MET A 36 0.230 0.866 1.148 1.00 0.00 S ATOM 518 CE MET A 36 1.619 0.378 0.128 1.00 0.00 C ATOM 0 H MET A 36 -1.692 -2.320 1.381 1.00 0.00 H new ATOM 0 HA MET A 36 -1.788 -0.115 3.191 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.218 -0.371 0.529 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.643 1.091 1.305 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.814 -1.119 0.309 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.252 0.286 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.350 -0.152 0.738 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.271 -0.276 -0.671 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.082 1.265 -0.305 1.00 0.00 H new ATOM 528 N THR A 37 -4.138 0.100 3.985 1.00 0.00 N ATOM 529 CA THR A 37 -5.461 0.114 4.598 1.00 0.00 C ATOM 530 C THR A 37 -6.187 1.422 4.310 1.00 0.00 C ATOM 531 O THR A 37 -7.365 1.424 3.953 1.00 0.00 O ATOM 532 CB THR A 37 -5.375 -0.088 6.123 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.680 0.011 6.704 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.454 0.945 6.754 1.00 0.00 C ATOM 0 H THR A 37 -3.502 0.814 4.339 1.00 0.00 H new ATOM 0 HA THR A 37 -6.021 -0.712 4.160 1.00 0.00 H new ATOM 0 HB THR A 37 -4.967 -1.080 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.602 0.040 7.680 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.409 0.783 7.831 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.454 0.848 6.330 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.838 1.945 6.554 1.00 0.00 H new ATOM 542 N ASP A 38 -5.477 2.534 4.467 1.00 0.00 N ATOM 543 CA ASP A 38 -6.055 3.851 4.221 1.00 0.00 C ATOM 544 C ASP A 38 -5.252 4.609 3.169 1.00 0.00 C ATOM 545 O ASP A 38 -4.083 4.933 3.380 1.00 0.00 O ATOM 546 CB ASP A 38 -6.108 4.658 5.519 1.00 0.00 C ATOM 547 CG ASP A 38 -6.955 5.909 5.389 1.00 0.00 C ATOM 548 OD1 ASP A 38 -8.158 5.780 5.084 1.00 0.00 O ATOM 549 OD2 ASP A 38 -6.414 7.016 5.592 1.00 0.00 O ATOM 0 H ASP A 38 -4.501 2.550 4.763 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.069 3.712 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.509 4.032 6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.096 4.937 5.812 1.00 0.00 H new ATOM 554 N ILE A 39 -5.887 4.886 2.035 1.00 0.00 N ATOM 555 CA ILE A 39 -5.231 5.606 0.949 1.00 0.00 C ATOM 556 C ILE A 39 -5.605 7.084 0.965 1.00 0.00 C ATOM 557 O ILE A 39 -6.777 7.441 0.838 1.00 0.00 O ATOM 558 CB ILE A 39 -5.597 5.010 -0.423 1.00 0.00 C ATOM 559 CG1 ILE A 39 -5.272 3.515 -0.457 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.859 5.743 -1.532 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.789 3.219 -0.489 1.00 0.00 C ATOM 0 H ILE A 39 -6.854 4.623 1.844 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.157 5.504 1.106 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.668 5.133 -0.583 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.711 3.036 0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.742 3.069 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.128 5.310 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.135 6.797 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.784 5.647 -1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.634 2.140 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.347 3.668 -1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.316 3.635 0.401 1.00 0.00 H new ATOM 573 N THR A 40 -4.601 7.941 1.121 1.00 0.00 N ATOM 574 CA THR A 40 -4.824 9.381 1.152 1.00 0.00 C ATOM 575 C THR A 40 -5.279 9.897 -0.208 1.00 0.00 C ATOM 576 O THR A 40 -4.702 9.572 -1.247 1.00 0.00 O ATOM 577 CB THR A 40 -3.550 10.137 1.576 1.00 0.00 C ATOM 578 OG1 THR A 40 -3.069 9.625 2.823 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.824 11.628 1.706 1.00 0.00 C ATOM 0 H THR A 40 -3.626 7.663 1.228 1.00 0.00 H new ATOM 0 HA THR A 40 -5.608 9.564 1.887 1.00 0.00 H new ATOM 0 HB THR A 40 -2.793 9.988 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.258 10.109 3.085 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.910 12.141 2.006 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.162 12.021 0.747 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.596 11.792 2.458 1.00 0.00 H new ATOM 587 N PRO A 41 -6.337 10.722 -0.206 1.00 0.00 N ATOM 588 CA PRO A 41 -6.891 11.302 -1.433 1.00 0.00 C ATOM 589 C PRO A 41 -5.962 12.337 -2.056 1.00 0.00 C ATOM 590 O PRO A 41 -5.427 13.201 -1.362 1.00 0.00 O ATOM 591 CB PRO A 41 -8.187 11.963 -0.958 1.00 0.00 C ATOM 592 CG PRO A 41 -7.957 12.256 0.485 1.00 0.00 C ATOM 593 CD PRO A 41 -7.072 11.152 0.995 1.00 0.00 C ATOM 0 HA PRO A 41 -7.039 10.551 -2.209 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.395 12.874 -1.519 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.042 11.302 -1.096 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.482 13.229 0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.899 12.285 1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.397 11.506 1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.654 10.336 1.424 1.00 0.00 H new ATOM 601 N GLN A 42 -5.775 12.244 -3.369 1.00 0.00 N ATOM 602 CA GLN A 42 -4.909 13.173 -4.085 1.00 0.00 C ATOM 603 C GLN A 42 -3.493 13.143 -3.520 1.00 0.00 C ATOM 604 O GLN A 42 -2.862 14.184 -3.341 1.00 0.00 O ATOM 605 CB GLN A 42 -5.473 14.593 -4.004 1.00 0.00 C ATOM 606 CG GLN A 42 -6.516 14.895 -5.068 1.00 0.00 C ATOM 607 CD GLN A 42 -6.826 16.375 -5.177 1.00 0.00 C ATOM 608 OE1 GLN A 42 -6.586 17.142 -4.244 1.00 0.00 O ATOM 609 NE2 GLN A 42 -7.363 16.784 -6.320 1.00 0.00 N ATOM 0 H GLN A 42 -6.212 11.535 -3.958 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.870 12.863 -5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.916 14.743 -3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.654 15.306 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.162 14.530 -6.032 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.432 14.352 -4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.545 16.113 -7.067 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.594 17.769 -6.451 1.00 0.00 H new ATOM 618 N GLY A 43 -2.998 11.941 -3.241 1.00 0.00 N ATOM 619 CA GLY A 43 -1.659 11.797 -2.699 1.00 0.00 C ATOM 620 C GLY A 43 -0.767 10.941 -3.576 1.00 0.00 C ATOM 621 O GLY A 43 -1.213 10.402 -4.589 1.00 0.00 O ATOM 0 H GLY A 43 -3.500 11.064 -3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.210 12.783 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.719 11.354 -1.705 1.00 0.00 H new ATOM 625 N VAL A 44 0.498 10.816 -3.187 1.00 0.00 N ATOM 626 CA VAL A 44 1.455 10.019 -3.946 1.00 0.00 C ATOM 627 C VAL A 44 0.871 8.660 -4.312 1.00 0.00 C ATOM 628 O VAL A 44 0.877 8.264 -5.478 1.00 0.00 O ATOM 629 CB VAL A 44 2.761 9.809 -3.156 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.729 8.941 -3.945 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.394 11.147 -2.807 1.00 0.00 C ATOM 0 H VAL A 44 0.884 11.256 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 44 1.676 10.573 -4.858 1.00 0.00 H new ATOM 0 HB VAL A 44 2.523 9.293 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.645 8.804 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.273 7.970 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.963 9.426 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.315 10.979 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.619 11.693 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.702 11.729 -2.198 1.00 0.00 H new ATOM 641 N ALA A 45 0.367 7.949 -3.309 1.00 0.00 N ATOM 642 CA ALA A 45 -0.224 6.634 -3.526 1.00 0.00 C ATOM 643 C ALA A 45 -1.370 6.706 -4.530 1.00 0.00 C ATOM 644 O ALA A 45 -1.316 6.088 -5.593 1.00 0.00 O ATOM 645 CB ALA A 45 -0.711 6.050 -2.208 1.00 0.00 C ATOM 0 H ALA A 45 0.356 8.261 -2.338 1.00 0.00 H new ATOM 0 HA ALA A 45 0.545 5.981 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.150 5.068 -2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.129 5.953 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.462 6.710 -1.773 1.00 0.00 H new ATOM 651 N MET A 46 -2.406 7.464 -4.185 1.00 0.00 N ATOM 652 CA MET A 46 -3.564 7.616 -5.058 1.00 0.00 C ATOM 653 C MET A 46 -3.140 8.065 -6.452 1.00 0.00 C ATOM 654 O MET A 46 -3.840 7.818 -7.434 1.00 0.00 O ATOM 655 CB MET A 46 -4.549 8.625 -4.462 1.00 0.00 C ATOM 656 CG MET A 46 -5.909 8.619 -5.140 1.00 0.00 C ATOM 657 SD MET A 46 -6.735 7.019 -5.026 1.00 0.00 S ATOM 658 CE MET A 46 -7.742 7.261 -3.565 1.00 0.00 C ATOM 0 H MET A 46 -2.467 7.982 -3.308 1.00 0.00 H new ATOM 0 HA MET A 46 -4.054 6.646 -5.142 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.680 8.410 -3.401 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.121 9.625 -4.534 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.540 9.383 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.789 8.888 -6.190 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.314 6.356 -3.364 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.099 7.481 -2.713 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.426 8.094 -3.728 1.00 0.00 H new ATOM 668 N ARG A 47 -1.989 8.726 -6.532 1.00 0.00 N ATOM 669 CA ARG A 47 -1.473 9.210 -7.806 1.00 0.00 C ATOM 670 C ARG A 47 -0.669 8.124 -8.515 1.00 0.00 C ATOM 671 O ARG A 47 -0.658 8.048 -9.743 1.00 0.00 O ATOM 672 CB ARG A 47 -0.599 10.447 -7.590 1.00 0.00 C ATOM 673 CG ARG A 47 -1.392 11.735 -7.439 1.00 0.00 C ATOM 674 CD ARG A 47 -1.747 12.332 -8.791 1.00 0.00 C ATOM 675 NE ARG A 47 -2.202 13.715 -8.677 1.00 0.00 N ATOM 676 CZ ARG A 47 -3.400 14.059 -8.216 1.00 0.00 C ATOM 677 NH1 ARG A 47 -4.258 13.125 -7.828 1.00 0.00 N ATOM 678 NH2 ARG A 47 -3.741 15.339 -8.141 1.00 0.00 N ATOM 0 H ARG A 47 -1.397 8.938 -5.729 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.322 9.479 -8.435 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.011 10.299 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.086 10.549 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.304 11.538 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.811 12.456 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.876 12.290 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.527 11.731 -9.259 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.566 14.457 -8.967 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.999 12.140 -7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.177 13.392 -7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.083 16.060 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.661 15.602 -7.787 1.00 0.00 H new ATOM 692 N ALA A 48 0.003 7.287 -7.732 1.00 0.00 N ATOM 693 CA ALA A 48 0.808 6.204 -8.285 1.00 0.00 C ATOM 694 C ALA A 48 -0.073 5.123 -8.900 1.00 0.00 C ATOM 695 O ALA A 48 0.337 4.426 -9.827 1.00 0.00 O ATOM 696 CB ALA A 48 1.703 5.609 -7.208 1.00 0.00 C ATOM 0 H ALA A 48 0.006 7.338 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 48 1.434 6.618 -9.075 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.298 4.802 -7.635 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.366 6.381 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.087 5.217 -6.399 1.00 0.00 H new ATOM 702 N GLY A 49 -1.288 4.987 -8.376 1.00 0.00 N ATOM 703 CA GLY A 49 -2.208 3.988 -8.886 1.00 0.00 C ATOM 704 C GLY A 49 -2.283 2.761 -7.997 1.00 0.00 C ATOM 705 O GLY A 49 -2.346 1.634 -8.487 1.00 0.00 O ATOM 0 H GLY A 49 -1.651 5.551 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.201 4.427 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.897 3.689 -9.887 1.00 0.00 H new ATOM 709 N VAL A 50 -2.273 2.981 -6.686 1.00 0.00 N ATOM 710 CA VAL A 50 -2.340 1.885 -5.727 1.00 0.00 C ATOM 711 C VAL A 50 -3.664 1.894 -4.973 1.00 0.00 C ATOM 712 O VAL A 50 -4.035 2.895 -4.359 1.00 0.00 O ATOM 713 CB VAL A 50 -1.183 1.956 -4.713 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.215 3.277 -3.958 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.247 0.781 -3.749 1.00 0.00 C ATOM 0 H VAL A 50 -2.219 3.908 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.257 0.960 -6.297 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.241 1.899 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.390 3.309 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.118 4.102 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.160 3.367 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.422 0.847 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.193 0.805 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.172 -0.152 -4.307 1.00 0.00 H new ATOM 725 N LEU A 51 -4.375 0.772 -5.024 1.00 0.00 N ATOM 726 CA LEU A 51 -5.660 0.650 -4.344 1.00 0.00 C ATOM 727 C LEU A 51 -5.473 0.174 -2.907 1.00 0.00 C ATOM 728 O LEU A 51 -4.400 -0.299 -2.534 1.00 0.00 O ATOM 729 CB LEU A 51 -6.569 -0.321 -5.101 1.00 0.00 C ATOM 730 CG LEU A 51 -7.059 0.148 -6.471 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.368 -1.043 -7.364 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.284 1.039 -6.323 1.00 0.00 C ATOM 0 H LEU A 51 -4.084 -0.065 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.127 1.635 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.034 -1.262 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.439 -0.533 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.266 0.730 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.715 -0.689 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.467 -1.642 -7.497 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.144 -1.653 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.619 1.364 -7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.083 0.481 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.029 1.911 -5.721 1.00 0.00 H new ATOM 744 N ALA A 52 -6.526 0.300 -2.106 1.00 0.00 N ATOM 745 CA ALA A 52 -6.479 -0.121 -0.711 1.00 0.00 C ATOM 746 C ALA A 52 -6.697 -1.625 -0.584 1.00 0.00 C ATOM 747 O ALA A 52 -6.922 -2.315 -1.578 1.00 0.00 O ATOM 748 CB ALA A 52 -7.517 0.636 0.104 1.00 0.00 C ATOM 0 H ALA A 52 -7.422 0.690 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.488 0.110 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.471 0.312 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.314 1.705 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.511 0.434 -0.295 1.00 0.00 H new ATOM 754 N ASP A 53 -6.628 -2.126 0.644 1.00 0.00 N ATOM 755 CA ASP A 53 -6.819 -3.549 0.901 1.00 0.00 C ATOM 756 C ASP A 53 -6.071 -4.392 -0.127 1.00 0.00 C ATOM 757 O ASP A 53 -6.566 -5.425 -0.576 1.00 0.00 O ATOM 758 CB ASP A 53 -8.308 -3.898 0.879 1.00 0.00 C ATOM 759 CG ASP A 53 -9.059 -3.305 2.055 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.815 -3.744 3.198 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.891 -2.401 1.831 1.00 0.00 O ATOM 0 H ASP A 53 -6.441 -1.568 1.477 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.416 -3.772 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.749 -3.536 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.424 -4.982 0.886 1.00 0.00 H new ATOM 766 N ASP A 54 -4.876 -3.943 -0.496 1.00 0.00 N ATOM 767 CA ASP A 54 -4.059 -4.655 -1.471 1.00 0.00 C ATOM 768 C ASP A 54 -2.836 -5.277 -0.805 1.00 0.00 C ATOM 769 O ASP A 54 -1.992 -4.572 -0.251 1.00 0.00 O ATOM 770 CB ASP A 54 -3.621 -3.709 -2.590 1.00 0.00 C ATOM 771 CG ASP A 54 -4.732 -3.430 -3.582 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.905 -3.702 -3.250 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.430 -2.941 -4.691 1.00 0.00 O ATOM 0 H ASP A 54 -4.452 -3.089 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.663 -5.455 -1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.282 -2.769 -2.155 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.770 -4.142 -3.115 1.00 0.00 H new ATOM 778 N HIS A 55 -2.747 -6.602 -0.861 1.00 0.00 N ATOM 779 CA HIS A 55 -1.627 -7.319 -0.263 1.00 0.00 C ATOM 780 C HIS A 55 -0.325 -6.997 -0.990 1.00 0.00 C ATOM 781 O HIS A 55 -0.258 -7.049 -2.219 1.00 0.00 O ATOM 782 CB HIS A 55 -1.883 -8.826 -0.295 1.00 0.00 C ATOM 783 CG HIS A 55 -0.707 -9.643 0.143 1.00 0.00 C ATOM 784 ND1 HIS A 55 -0.387 -10.863 -0.417 1.00 0.00 N ATOM 785 CD2 HIS A 55 0.230 -9.409 1.091 1.00 0.00 C ATOM 786 CE1 HIS A 55 0.695 -11.343 0.170 1.00 0.00 C ATOM 787 NE2 HIS A 55 1.089 -10.480 1.088 1.00 0.00 N ATOM 0 H HIS A 55 -3.437 -7.201 -1.314 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.533 -6.996 0.774 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.734 -9.055 0.347 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.160 -9.118 -1.308 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.905 -11.322 -1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.291 -8.541 1.731 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.176 -12.282 -0.062 1.00 0.00 H new ATOM 796 N LEU A 56 0.708 -6.664 -0.223 1.00 0.00 N ATOM 797 CA LEU A 56 2.009 -6.332 -0.794 1.00 0.00 C ATOM 798 C LEU A 56 2.742 -7.591 -1.245 1.00 0.00 C ATOM 799 O LEU A 56 3.068 -8.456 -0.432 1.00 0.00 O ATOM 800 CB LEU A 56 2.857 -5.572 0.227 1.00 0.00 C ATOM 801 CG LEU A 56 2.892 -4.051 0.071 1.00 0.00 C ATOM 802 CD1 LEU A 56 1.557 -3.443 0.469 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.020 -3.456 0.902 1.00 0.00 C ATOM 0 H LEU A 56 0.670 -6.617 0.795 1.00 0.00 H new ATOM 0 HA LEU A 56 1.845 -5.697 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.485 -5.806 1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.879 -5.947 0.171 1.00 0.00 H new ATOM 0 HG LEU A 56 3.077 -3.816 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.601 -2.360 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.769 -3.846 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.342 -3.687 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.030 -2.373 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.866 -3.701 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.973 -3.868 0.570 1.00 0.00 H new ATOM 815 N ILE A 57 3.001 -7.685 -2.545 1.00 0.00 N ATOM 816 CA ILE A 57 3.699 -8.836 -3.104 1.00 0.00 C ATOM 817 C ILE A 57 5.210 -8.680 -2.971 1.00 0.00 C ATOM 818 O ILE A 57 5.934 -9.663 -2.818 1.00 0.00 O ATOM 819 CB ILE A 57 3.344 -9.045 -4.588 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.826 -9.115 -4.766 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.004 -10.309 -5.117 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.203 -10.354 -4.163 1.00 0.00 C ATOM 0 H ILE A 57 2.738 -6.978 -3.231 1.00 0.00 H new ATOM 0 HA ILE A 57 3.374 -9.708 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 57 3.719 -8.196 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.374 -8.233 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.591 -9.081 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.744 -10.443 -6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.086 -10.223 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.656 -11.168 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.126 -10.336 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.627 -11.241 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.407 -10.379 -3.092 1.00 0.00 H new ATOM 834 N GLU A 58 5.679 -7.437 -3.029 1.00 0.00 N ATOM 835 CA GLU A 58 7.104 -7.153 -2.915 1.00 0.00 C ATOM 836 C GLU A 58 7.359 -5.648 -2.901 1.00 0.00 C ATOM 837 O GLU A 58 6.530 -4.862 -3.358 1.00 0.00 O ATOM 838 CB GLU A 58 7.870 -7.800 -4.070 1.00 0.00 C ATOM 839 CG GLU A 58 7.486 -7.257 -5.436 1.00 0.00 C ATOM 840 CD GLU A 58 7.785 -5.778 -5.580 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.792 -5.316 -5.003 1.00 0.00 O ATOM 842 OE2 GLU A 58 7.012 -5.081 -6.271 1.00 0.00 O ATOM 0 H GLU A 58 5.093 -6.612 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 58 7.458 -7.573 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.938 -7.649 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.694 -8.876 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.024 -7.809 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.423 -7.427 -5.605 1.00 0.00 H new ATOM 849 N VAL A 59 8.513 -5.255 -2.371 1.00 0.00 N ATOM 850 CA VAL A 59 8.879 -3.845 -2.297 1.00 0.00 C ATOM 851 C VAL A 59 10.216 -3.588 -2.984 1.00 0.00 C ATOM 852 O VAL A 59 11.198 -4.285 -2.734 1.00 0.00 O ATOM 853 CB VAL A 59 8.964 -3.363 -0.837 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.327 -1.887 -0.782 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.652 -3.625 -0.113 1.00 0.00 C ATOM 0 H VAL A 59 9.210 -5.893 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 59 8.096 -3.287 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 59 9.750 -3.925 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.382 -1.564 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.293 -1.732 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.566 -1.305 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.730 -3.278 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.846 -3.091 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.439 -4.694 -0.121 1.00 0.00 H new ATOM 865 N ASN A 60 10.245 -2.581 -3.852 1.00 0.00 N ATOM 866 CA ASN A 60 11.461 -2.231 -4.576 1.00 0.00 C ATOM 867 C ASN A 60 12.209 -3.484 -5.022 1.00 0.00 C ATOM 868 O ASN A 60 13.438 -3.530 -4.992 1.00 0.00 O ATOM 869 CB ASN A 60 12.370 -1.366 -3.700 1.00 0.00 C ATOM 870 CG ASN A 60 12.836 -2.095 -2.454 1.00 0.00 C ATOM 871 OD1 ASN A 60 13.493 -3.133 -2.538 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.498 -1.554 -1.290 1.00 0.00 N ATOM 0 H ASN A 60 9.440 -1.994 -4.071 1.00 0.00 H new ATOM 0 HA ASN A 60 11.176 -1.665 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.238 -1.052 -4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.836 -0.461 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.784 -2.000 -0.418 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.953 -0.692 -1.267 1.00 0.00 H new ATOM 879 N GLY A 61 11.456 -4.499 -5.436 1.00 0.00 N ATOM 880 CA GLY A 61 12.064 -5.739 -5.884 1.00 0.00 C ATOM 881 C GLY A 61 12.477 -6.631 -4.730 1.00 0.00 C ATOM 882 O GLY A 61 13.580 -7.176 -4.722 1.00 0.00 O ATOM 0 H GLY A 61 10.437 -4.485 -5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.361 -6.276 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.938 -5.512 -6.495 1.00 0.00 H new ATOM 886 N GLU A 62 11.588 -6.780 -3.752 1.00 0.00 N ATOM 887 CA GLU A 62 11.868 -7.612 -2.587 1.00 0.00 C ATOM 888 C GLU A 62 10.596 -8.288 -2.084 1.00 0.00 C ATOM 889 O GLU A 62 9.668 -7.625 -1.623 1.00 0.00 O ATOM 890 CB GLU A 62 12.488 -6.770 -1.470 1.00 0.00 C ATOM 891 CG GLU A 62 13.946 -6.416 -1.711 1.00 0.00 C ATOM 892 CD GLU A 62 14.530 -5.562 -0.603 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.132 -4.384 -0.488 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.386 -6.072 0.150 1.00 0.00 O ATOM 0 H GLU A 62 10.670 -6.336 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 62 12.576 -8.385 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.913 -5.850 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.406 -7.313 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.528 -7.333 -1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.035 -5.885 -2.659 1.00 0.00 H new ATOM 901 N ASN A 63 10.562 -9.614 -2.176 1.00 0.00 N ATOM 902 CA ASN A 63 9.405 -10.381 -1.731 1.00 0.00 C ATOM 903 C ASN A 63 9.150 -10.168 -0.242 1.00 0.00 C ATOM 904 O ASN A 63 9.970 -10.540 0.599 1.00 0.00 O ATOM 905 CB ASN A 63 9.613 -11.870 -2.016 1.00 0.00 C ATOM 906 CG ASN A 63 9.313 -12.230 -3.459 1.00 0.00 C ATOM 907 OD1 ASN A 63 10.223 -12.474 -4.251 1.00 0.00 O ATOM 908 ND2 ASN A 63 8.032 -12.263 -3.805 1.00 0.00 N ATOM 0 H ASN A 63 11.322 -10.179 -2.555 1.00 0.00 H new ATOM 0 HA ASN A 63 8.534 -10.030 -2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.643 -12.141 -1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.972 -12.456 -1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.768 -12.498 -4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.312 -12.053 -3.114 1.00 0.00 H new ATOM 915 N VAL A 64 8.009 -9.568 0.078 1.00 0.00 N ATOM 916 CA VAL A 64 7.645 -9.306 1.466 1.00 0.00 C ATOM 917 C VAL A 64 6.327 -9.984 1.825 1.00 0.00 C ATOM 918 O VAL A 64 5.809 -9.808 2.927 1.00 0.00 O ATOM 919 CB VAL A 64 7.524 -7.795 1.740 1.00 0.00 C ATOM 920 CG1 VAL A 64 8.857 -7.101 1.501 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.433 -7.183 0.875 1.00 0.00 C ATOM 0 H VAL A 64 7.320 -9.254 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 64 8.443 -9.716 2.085 1.00 0.00 H new ATOM 0 HB VAL A 64 7.250 -7.653 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.753 -6.034 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.611 -7.522 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.164 -7.249 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.361 -6.115 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.675 -7.334 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.480 -7.661 1.100 1.00 0.00 H new ATOM 931 N GLU A 65 5.791 -10.759 0.887 1.00 0.00 N ATOM 932 CA GLU A 65 4.533 -11.462 1.106 1.00 0.00 C ATOM 933 C GLU A 65 4.473 -12.044 2.515 1.00 0.00 C ATOM 934 O GLU A 65 3.437 -11.986 3.179 1.00 0.00 O ATOM 935 CB GLU A 65 4.361 -12.579 0.074 1.00 0.00 C ATOM 936 CG GLU A 65 4.019 -12.073 -1.318 1.00 0.00 C ATOM 937 CD GLU A 65 3.750 -13.199 -2.297 1.00 0.00 C ATOM 938 OE1 GLU A 65 4.209 -14.332 -2.041 1.00 0.00 O ATOM 939 OE2 GLU A 65 3.079 -12.947 -3.320 1.00 0.00 O ATOM 0 H GLU A 65 6.208 -10.915 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 65 3.721 -10.744 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.281 -13.161 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.574 -13.255 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.142 -11.428 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.841 -11.461 -1.690 1.00 0.00 H new ATOM 946 N ASP A 66 5.589 -12.606 2.965 1.00 0.00 N ATOM 947 CA ASP A 66 5.665 -13.198 4.295 1.00 0.00 C ATOM 948 C ASP A 66 6.655 -12.439 5.173 1.00 0.00 C ATOM 949 O ASP A 66 7.468 -13.041 5.874 1.00 0.00 O ATOM 950 CB ASP A 66 6.074 -14.669 4.199 1.00 0.00 C ATOM 951 CG ASP A 66 7.462 -14.847 3.618 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.728 -14.286 2.535 1.00 0.00 O ATOM 953 OD2 ASP A 66 8.283 -15.549 4.245 1.00 0.00 O ATOM 0 H ASP A 66 6.454 -12.664 2.428 1.00 0.00 H new ATOM 0 HA ASP A 66 4.677 -13.132 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.038 -15.118 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.353 -15.204 3.581 1.00 0.00 H new ATOM 958 N ALA A 67 6.581 -11.113 5.128 1.00 0.00 N ATOM 959 CA ALA A 67 7.470 -10.271 5.920 1.00 0.00 C ATOM 960 C ALA A 67 6.677 -9.345 6.836 1.00 0.00 C ATOM 961 O ALA A 67 5.607 -8.859 6.468 1.00 0.00 O ATOM 962 CB ALA A 67 8.381 -9.462 5.009 1.00 0.00 C ATOM 0 H ALA A 67 5.915 -10.598 4.552 1.00 0.00 H new ATOM 0 HA ALA A 67 8.083 -10.920 6.545 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.039 -8.838 5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.981 -10.139 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.777 -8.829 4.359 1.00 0.00 H new ATOM 968 N SER A 68 7.209 -9.104 8.030 1.00 0.00 N ATOM 969 CA SER A 68 6.548 -8.239 9.000 1.00 0.00 C ATOM 970 C SER A 68 6.796 -6.769 8.675 1.00 0.00 C ATOM 971 O SER A 68 7.823 -6.414 8.096 1.00 0.00 O ATOM 972 CB SER A 68 7.044 -8.550 10.414 1.00 0.00 C ATOM 973 OG SER A 68 6.895 -9.927 10.714 1.00 0.00 O ATOM 0 H SER A 68 8.095 -9.495 8.349 1.00 0.00 H new ATOM 0 HA SER A 68 5.476 -8.429 8.948 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.092 -8.266 10.506 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.487 -7.954 11.138 1.00 0.00 H new ATOM 0 HG SER A 68 7.220 -10.101 11.622 1.00 0.00 H new ATOM 979 N HIS A 69 5.847 -5.918 9.052 1.00 0.00 N ATOM 980 CA HIS A 69 5.961 -4.485 8.801 1.00 0.00 C ATOM 981 C HIS A 69 7.395 -4.009 9.016 1.00 0.00 C ATOM 982 O HIS A 69 8.006 -3.426 8.121 1.00 0.00 O ATOM 983 CB HIS A 69 5.011 -3.709 9.713 1.00 0.00 C ATOM 984 CG HIS A 69 4.755 -2.306 9.257 1.00 0.00 C ATOM 985 ND1 HIS A 69 4.091 -1.373 10.026 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.081 -1.677 8.103 1.00 0.00 C ATOM 987 CE1 HIS A 69 4.017 -0.232 9.364 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.611 -0.390 8.195 1.00 0.00 N ATOM 0 H HIS A 69 4.991 -6.195 9.532 1.00 0.00 H new ATOM 0 HA HIS A 69 5.687 -4.300 7.762 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.062 -4.242 9.773 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.427 -3.685 10.720 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.716 -1.538 10.960 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.612 -2.107 7.266 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.550 0.675 9.718 1.00 0.00 H new ATOM 997 N GLU A 70 7.924 -4.260 10.210 1.00 0.00 N ATOM 998 CA GLU A 70 9.285 -3.855 10.542 1.00 0.00 C ATOM 999 C GLU A 70 10.239 -4.160 9.391 1.00 0.00 C ATOM 1000 O GLU A 70 11.101 -3.348 9.054 1.00 0.00 O ATOM 1001 CB GLU A 70 9.757 -4.565 11.812 1.00 0.00 C ATOM 1002 CG GLU A 70 9.618 -6.077 11.751 1.00 0.00 C ATOM 1003 CD GLU A 70 10.332 -6.775 12.892 1.00 0.00 C ATOM 1004 OE1 GLU A 70 11.567 -6.625 13.000 1.00 0.00 O ATOM 1005 OE2 GLU A 70 9.656 -7.471 13.678 1.00 0.00 O ATOM 0 H GLU A 70 7.431 -4.741 10.962 1.00 0.00 H new ATOM 0 HA GLU A 70 9.284 -2.779 10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.802 -4.312 11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.186 -4.190 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.561 -6.342 11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.018 -6.437 10.803 1.00 0.00 H new ATOM 1012 N GLU A 71 10.079 -5.336 8.793 1.00 0.00 N ATOM 1013 CA GLU A 71 10.928 -5.749 7.681 1.00 0.00 C ATOM 1014 C GLU A 71 10.665 -4.889 6.448 1.00 0.00 C ATOM 1015 O GLU A 71 11.573 -4.616 5.663 1.00 0.00 O ATOM 1016 CB GLU A 71 10.689 -7.223 7.349 1.00 0.00 C ATOM 1017 CG GLU A 71 11.202 -8.178 8.414 1.00 0.00 C ATOM 1018 CD GLU A 71 12.714 -8.296 8.412 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.282 -8.616 7.347 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.329 -8.069 9.475 1.00 0.00 O ATOM 0 H GLU A 71 9.370 -6.019 9.059 1.00 0.00 H new ATOM 0 HA GLU A 71 11.967 -5.616 7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.620 -7.387 7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.173 -7.456 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.869 -7.836 9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.764 -9.163 8.255 1.00 0.00 H new ATOM 1027 N VAL A 72 9.416 -4.466 6.284 1.00 0.00 N ATOM 1028 CA VAL A 72 9.032 -3.637 5.148 1.00 0.00 C ATOM 1029 C VAL A 72 9.437 -2.183 5.366 1.00 0.00 C ATOM 1030 O VAL A 72 10.236 -1.630 4.611 1.00 0.00 O ATOM 1031 CB VAL A 72 7.515 -3.703 4.892 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.115 -2.724 3.799 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.097 -5.120 4.528 1.00 0.00 C ATOM 0 H VAL A 72 8.652 -4.684 6.924 1.00 0.00 H new ATOM 0 HA VAL A 72 9.557 -4.031 4.278 1.00 0.00 H new ATOM 0 HB VAL A 72 6.997 -3.420 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.040 -2.785 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.378 -1.711 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.640 -2.974 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.022 -5.148 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.622 -5.434 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.347 -5.795 5.347 1.00 0.00 H new ATOM 1043 N VAL A 73 8.880 -1.569 6.405 1.00 0.00 N ATOM 1044 CA VAL A 73 9.184 -0.180 6.725 1.00 0.00 C ATOM 1045 C VAL A 73 10.630 0.159 6.385 1.00 0.00 C ATOM 1046 O VAL A 73 10.906 1.172 5.743 1.00 0.00 O ATOM 1047 CB VAL A 73 8.934 0.121 8.215 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.632 -0.908 9.091 1.00 0.00 C ATOM 1049 CG2 VAL A 73 9.398 1.528 8.559 1.00 0.00 C ATOM 0 H VAL A 73 8.216 -2.012 7.040 1.00 0.00 H new ATOM 0 HA VAL A 73 8.518 0.436 6.121 1.00 0.00 H new ATOM 0 HB VAL A 73 7.863 0.060 8.406 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.445 -0.680 10.140 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.248 -1.902 8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.705 -0.881 8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.214 1.724 9.615 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.464 1.620 8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.849 2.250 7.955 1.00 0.00 H new ATOM 1059 N GLU A 74 11.551 -0.697 6.819 1.00 0.00 N ATOM 1060 CA GLU A 74 12.970 -0.487 6.559 1.00 0.00 C ATOM 1061 C GLU A 74 13.282 -0.651 5.075 1.00 0.00 C ATOM 1062 O GLU A 74 13.976 0.173 4.479 1.00 0.00 O ATOM 1063 CB GLU A 74 13.811 -1.467 7.380 1.00 0.00 C ATOM 1064 CG GLU A 74 13.725 -2.903 6.889 1.00 0.00 C ATOM 1065 CD GLU A 74 14.571 -3.853 7.714 1.00 0.00 C ATOM 1066 OE1 GLU A 74 15.803 -3.656 7.769 1.00 0.00 O ATOM 1067 OE2 GLU A 74 14.001 -4.795 8.304 1.00 0.00 O ATOM 0 H GLU A 74 11.340 -1.541 7.351 1.00 0.00 H new ATOM 0 HA GLU A 74 13.220 0.532 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.852 -1.146 7.358 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.487 -1.428 8.420 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.686 -3.231 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.046 -2.947 5.848 1.00 0.00 H new ATOM 1074 N LYS A 75 12.765 -1.722 4.483 1.00 0.00 N ATOM 1075 CA LYS A 75 12.986 -1.997 3.068 1.00 0.00 C ATOM 1076 C LYS A 75 12.463 -0.854 2.204 1.00 0.00 C ATOM 1077 O LYS A 75 12.779 -0.765 1.017 1.00 0.00 O ATOM 1078 CB LYS A 75 12.303 -3.307 2.668 1.00 0.00 C ATOM 1079 CG LYS A 75 13.050 -4.547 3.127 1.00 0.00 C ATOM 1080 CD LYS A 75 12.193 -5.795 2.994 1.00 0.00 C ATOM 1081 CE LYS A 75 13.041 -7.028 2.725 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.729 -7.508 3.955 1.00 0.00 N ATOM 0 H LYS A 75 12.189 -2.415 4.962 1.00 0.00 H new ATOM 0 HA LYS A 75 14.060 -2.091 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.296 -3.324 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.199 -3.336 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.959 -4.664 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.357 -4.424 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.617 -5.941 3.908 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.477 -5.661 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.410 -7.823 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.783 -6.799 1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.297 -8.350 3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.351 -6.759 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.021 -7.751 4.676 1.00 0.00 H new ATOM 1096 N VAL A 76 11.663 0.019 2.806 1.00 0.00 N ATOM 1097 CA VAL A 76 11.098 1.158 2.093 1.00 0.00 C ATOM 1098 C VAL A 76 11.974 2.396 2.252 1.00 0.00 C ATOM 1099 O VAL A 76 12.466 2.954 1.271 1.00 0.00 O ATOM 1100 CB VAL A 76 9.676 1.482 2.587 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.172 2.772 1.958 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.732 0.328 2.286 1.00 0.00 C ATOM 0 H VAL A 76 11.391 -0.041 3.787 1.00 0.00 H new ATOM 0 HA VAL A 76 11.054 0.880 1.040 1.00 0.00 H new ATOM 0 HB VAL A 76 9.709 1.622 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.166 2.984 2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.836 3.593 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.153 2.665 0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.732 0.574 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.702 0.154 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.085 -0.572 2.790 1.00 0.00 H new ATOM 1112 N LYS A 77 12.166 2.822 3.496 1.00 0.00 N ATOM 1113 CA LYS A 77 12.984 3.993 3.787 1.00 0.00 C ATOM 1114 C LYS A 77 14.413 3.795 3.292 1.00 0.00 C ATOM 1115 O LYS A 77 15.064 4.741 2.848 1.00 0.00 O ATOM 1116 CB LYS A 77 12.988 4.277 5.291 1.00 0.00 C ATOM 1117 CG LYS A 77 13.494 3.115 6.128 1.00 0.00 C ATOM 1118 CD LYS A 77 14.139 3.595 7.417 1.00 0.00 C ATOM 1119 CE LYS A 77 14.086 2.527 8.499 1.00 0.00 C ATOM 1120 NZ LYS A 77 14.764 2.969 9.749 1.00 0.00 N ATOM 0 H LYS A 77 11.766 2.373 4.320 1.00 0.00 H new ATOM 0 HA LYS A 77 12.552 4.846 3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.609 5.151 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.976 4.528 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.666 2.446 6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.217 2.538 5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.176 3.869 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.631 4.494 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.046 2.282 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.558 1.615 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.706 2.213 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.762 3.178 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.298 3.824 10.113 1.00 0.00 H new ATOM 1134 N LYS A 78 14.896 2.560 3.371 1.00 0.00 N ATOM 1135 CA LYS A 78 16.247 2.236 2.929 1.00 0.00 C ATOM 1136 C LYS A 78 16.357 2.320 1.410 1.00 0.00 C ATOM 1137 O LYS A 78 17.308 2.894 0.879 1.00 0.00 O ATOM 1138 CB LYS A 78 16.638 0.834 3.402 1.00 0.00 C ATOM 1139 CG LYS A 78 16.940 0.756 4.889 1.00 0.00 C ATOM 1140 CD LYS A 78 17.850 -0.417 5.212 1.00 0.00 C ATOM 1141 CE LYS A 78 17.073 -1.722 5.286 1.00 0.00 C ATOM 1142 NZ LYS A 78 17.908 -2.837 5.813 1.00 0.00 N ATOM 0 H LYS A 78 14.371 1.766 3.738 1.00 0.00 H new ATOM 0 HA LYS A 78 16.930 2.964 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.829 0.142 3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.514 0.502 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.411 1.684 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.008 0.659 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.626 -0.497 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.353 -0.238 6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.200 -1.589 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.705 -1.982 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.122 -3.504 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.796 -2.455 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.390 -3.332 6.567 1.00 0.00 H new ATOM 1156 N SER A 79 15.378 1.747 0.717 1.00 0.00 N ATOM 1157 CA SER A 79 15.367 1.756 -0.741 1.00 0.00 C ATOM 1158 C SER A 79 15.948 3.060 -1.280 1.00 0.00 C ATOM 1159 O SER A 79 16.665 3.066 -2.280 1.00 0.00 O ATOM 1160 CB SER A 79 13.942 1.565 -1.262 1.00 0.00 C ATOM 1161 OG SER A 79 13.943 1.216 -2.636 1.00 0.00 O ATOM 0 H SER A 79 14.582 1.271 1.142 1.00 0.00 H new ATOM 0 HA SER A 79 15.987 0.930 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.442 0.786 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.373 2.483 -1.117 1.00 0.00 H new ATOM 0 HG SER A 79 13.559 1.950 -3.160 1.00 0.00 H new ATOM 1167 N GLY A 80 15.632 4.164 -0.610 1.00 0.00 N ATOM 1168 CA GLY A 80 16.130 5.458 -1.036 1.00 0.00 C ATOM 1169 C GLY A 80 15.048 6.520 -1.046 1.00 0.00 C ATOM 1170 O GLY A 80 14.407 6.773 -0.026 1.00 0.00 O ATOM 0 H GLY A 80 15.040 4.185 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.936 5.771 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.557 5.369 -2.035 1.00 0.00 H new ATOM 1174 N SER A 81 14.846 7.146 -2.201 1.00 0.00 N ATOM 1175 CA SER A 81 13.838 8.191 -2.339 1.00 0.00 C ATOM 1176 C SER A 81 12.610 7.667 -3.078 1.00 0.00 C ATOM 1177 O SER A 81 11.498 8.155 -2.879 1.00 0.00 O ATOM 1178 CB SER A 81 14.420 9.395 -3.082 1.00 0.00 C ATOM 1179 OG SER A 81 15.544 9.922 -2.399 1.00 0.00 O ATOM 0 H SER A 81 15.367 6.948 -3.055 1.00 0.00 H new ATOM 0 HA SER A 81 13.533 8.502 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.709 9.099 -4.090 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.657 10.167 -3.183 1.00 0.00 H new ATOM 0 HG SER A 81 15.898 10.689 -2.895 1.00 0.00 H new ATOM 1185 N ARG A 82 12.821 6.671 -3.931 1.00 0.00 N ATOM 1186 CA ARG A 82 11.732 6.081 -4.701 1.00 0.00 C ATOM 1187 C ARG A 82 11.562 4.604 -4.358 1.00 0.00 C ATOM 1188 O ARG A 82 12.533 3.909 -4.057 1.00 0.00 O ATOM 1189 CB ARG A 82 11.994 6.241 -6.200 1.00 0.00 C ATOM 1190 CG ARG A 82 12.325 7.666 -6.612 1.00 0.00 C ATOM 1191 CD ARG A 82 13.139 7.700 -7.896 1.00 0.00 C ATOM 1192 NE ARG A 82 13.580 9.052 -8.228 1.00 0.00 N ATOM 1193 CZ ARG A 82 12.784 9.976 -8.754 1.00 0.00 C ATOM 1194 NH1 ARG A 82 11.512 9.696 -9.005 1.00 0.00 N ATOM 1195 NH2 ARG A 82 13.259 11.184 -9.029 1.00 0.00 N ATOM 0 H ARG A 82 13.736 6.255 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 82 10.812 6.605 -4.442 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.818 5.588 -6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.115 5.907 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.402 8.230 -6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.882 8.157 -5.814 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.008 7.050 -7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.540 7.302 -8.716 1.00 0.00 H new ATOM 0 HE ARG A 82 14.552 9.300 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.143 8.769 -8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.903 10.408 -9.409 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.236 11.404 -8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.647 11.893 -9.433 1.00 0.00 H new ATOM 1209 N VAL A 83 10.321 4.130 -4.406 1.00 0.00 N ATOM 1210 CA VAL A 83 10.023 2.735 -4.101 1.00 0.00 C ATOM 1211 C VAL A 83 9.068 2.140 -5.130 1.00 0.00 C ATOM 1212 O VAL A 83 8.412 2.866 -5.876 1.00 0.00 O ATOM 1213 CB VAL A 83 9.406 2.587 -2.698 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.494 2.571 -1.635 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.408 3.704 -2.434 1.00 0.00 C ATOM 0 H VAL A 83 9.506 4.691 -4.653 1.00 0.00 H new ATOM 0 HA VAL A 83 10.969 2.195 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 83 8.873 1.637 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.039 2.466 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.167 1.732 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.057 3.503 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.982 3.583 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.915 4.667 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.611 3.663 -3.177 1.00 0.00 H new ATOM 1225 N MET A 84 8.996 0.813 -5.164 1.00 0.00 N ATOM 1226 CA MET A 84 8.119 0.120 -6.100 1.00 0.00 C ATOM 1227 C MET A 84 7.301 -0.952 -5.387 1.00 0.00 C ATOM 1228 O MET A 84 7.834 -1.984 -4.978 1.00 0.00 O ATOM 1229 CB MET A 84 8.939 -0.513 -7.227 1.00 0.00 C ATOM 1230 CG MET A 84 8.125 -1.420 -8.135 1.00 0.00 C ATOM 1231 SD MET A 84 9.114 -2.739 -8.866 1.00 0.00 S ATOM 1232 CE MET A 84 10.437 -1.793 -9.617 1.00 0.00 C ATOM 0 H MET A 84 9.534 0.197 -4.555 1.00 0.00 H new ATOM 0 HA MET A 84 7.433 0.852 -6.526 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.389 0.278 -7.826 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.757 -1.087 -6.792 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.306 -1.859 -7.565 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.677 -0.824 -8.930 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.989 -2.427 -10.311 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.017 -0.944 -10.157 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.111 -1.431 -8.841 1.00 0.00 H new ATOM 1242 N PHE A 85 6.004 -0.701 -5.242 1.00 0.00 N ATOM 1243 CA PHE A 85 5.113 -1.645 -4.577 1.00 0.00 C ATOM 1244 C PHE A 85 4.302 -2.438 -5.597 1.00 0.00 C ATOM 1245 O PHE A 85 3.707 -1.868 -6.513 1.00 0.00 O ATOM 1246 CB PHE A 85 4.172 -0.905 -3.623 1.00 0.00 C ATOM 1247 CG PHE A 85 4.879 -0.250 -2.472 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.443 -1.014 -1.463 1.00 0.00 C ATOM 1249 CD2 PHE A 85 4.979 1.130 -2.398 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.095 -0.414 -0.401 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.630 1.736 -1.340 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.187 0.963 -0.340 1.00 0.00 C ATOM 0 H PHE A 85 5.547 0.147 -5.576 1.00 0.00 H new ATOM 0 HA PHE A 85 5.724 -2.342 -4.004 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.624 -0.146 -4.182 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.435 -1.608 -3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.373 -2.091 -1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.543 1.739 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.531 -1.021 0.379 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.703 2.813 -1.295 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.694 1.435 0.489 1.00 0.00 H new ATOM 1262 N LEU A 86 4.282 -3.756 -5.432 1.00 0.00 N ATOM 1263 CA LEU A 86 3.544 -4.630 -6.338 1.00 0.00 C ATOM 1264 C LEU A 86 2.424 -5.357 -5.602 1.00 0.00 C ATOM 1265 O LEU A 86 2.677 -6.235 -4.776 1.00 0.00 O ATOM 1266 CB LEU A 86 4.490 -5.645 -6.982 1.00 0.00 C ATOM 1267 CG LEU A 86 3.842 -6.668 -7.916 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.600 -6.060 -9.288 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.710 -7.913 -8.027 1.00 0.00 C ATOM 0 H LEU A 86 4.768 -4.243 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 86 3.099 -4.012 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.248 -5.099 -7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.007 -6.184 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 86 2.879 -6.957 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.138 -6.803 -9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.938 -5.199 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.550 -5.741 -9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.234 -8.630 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.688 -7.641 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.831 -8.361 -7.041 1.00 0.00 H new ATOM 1281 N LEU A 87 1.185 -4.987 -5.907 1.00 0.00 N ATOM 1282 CA LEU A 87 0.025 -5.606 -5.276 1.00 0.00 C ATOM 1283 C LEU A 87 -0.956 -6.120 -6.325 1.00 0.00 C ATOM 1284 O LEU A 87 -0.784 -5.883 -7.521 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.675 -4.604 -4.356 1.00 0.00 C ATOM 1286 CG LEU A 87 0.214 -3.520 -3.746 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.308 -2.321 -4.676 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.317 -3.099 -2.383 1.00 0.00 C ATOM 0 H LEU A 87 0.958 -4.262 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 87 0.373 -6.453 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.471 -4.118 -4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.150 -5.156 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 87 1.215 -3.931 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.945 -1.560 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.735 -2.633 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.688 -1.910 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.328 -2.327 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.328 -2.707 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.332 -3.961 -1.716 1.00 0.00 H new ATOM 1300 N VAL A 88 -1.987 -6.824 -5.869 1.00 0.00 N ATOM 1301 CA VAL A 88 -2.998 -7.369 -6.768 1.00 0.00 C ATOM 1302 C VAL A 88 -4.372 -6.776 -6.474 1.00 0.00 C ATOM 1303 O VAL A 88 -4.668 -6.402 -5.339 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.079 -8.903 -6.656 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.045 -9.463 -7.689 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.699 -9.522 -6.814 1.00 0.00 C ATOM 0 H VAL A 88 -2.144 -7.030 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.699 -7.101 -7.781 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.455 -9.159 -5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.089 -10.548 -7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.037 -9.044 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.701 -9.199 -8.689 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.775 -10.606 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.292 -9.259 -7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.039 -9.145 -6.033 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.206 -6.692 -7.505 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.550 -6.146 -7.358 1.00 0.00 C ATOM 1318 C ASP A 89 -7.383 -7.000 -6.408 1.00 0.00 C ATOM 1319 O ASP A 89 -7.217 -8.218 -6.343 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.239 -6.056 -8.720 1.00 0.00 C ATOM 1321 CG ASP A 89 -8.231 -4.912 -8.793 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -7.888 -3.800 -8.341 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -9.351 -5.129 -9.301 1.00 0.00 O ATOM 0 H ASP A 89 -4.975 -6.995 -8.451 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.464 -5.145 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.485 -5.930 -9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.755 -6.994 -8.926 1.00 0.00 H new ATOM 1328 N LYS A 90 -8.280 -6.353 -5.671 1.00 0.00 N ATOM 1329 CA LYS A 90 -9.141 -7.052 -4.724 1.00 0.00 C ATOM 1330 C LYS A 90 -10.156 -7.926 -5.454 1.00 0.00 C ATOM 1331 O LYS A 90 -10.573 -8.965 -4.945 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.868 -6.048 -3.827 1.00 0.00 C ATOM 1333 CG LYS A 90 -11.023 -5.342 -4.515 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.375 -4.039 -3.817 1.00 0.00 C ATOM 1335 CE LYS A 90 -10.506 -2.891 -4.308 1.00 0.00 C ATOM 1336 NZ LYS A 90 -10.615 -1.696 -3.427 1.00 0.00 N ATOM 0 H LYS A 90 -8.430 -5.345 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.513 -7.694 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.244 -6.567 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.154 -5.302 -3.477 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.761 -5.140 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.895 -5.996 -4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.425 -3.803 -3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.250 -4.156 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.466 -3.216 -4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.799 -2.622 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.008 -0.936 -3.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.602 -1.370 -3.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.311 -1.946 -2.464 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.549 -7.497 -6.650 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.515 -8.241 -7.449 1.00 0.00 C ATOM 1352 C GLU A 91 -10.956 -9.605 -7.846 1.00 0.00 C ATOM 1353 O GLU A 91 -11.676 -10.605 -7.857 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.893 -7.448 -8.701 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.721 -6.208 -8.409 1.00 0.00 C ATOM 1356 CD GLU A 91 -13.375 -5.637 -9.652 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -12.704 -4.872 -10.377 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -14.557 -5.954 -9.901 1.00 0.00 O ATOM 0 H GLU A 91 -10.213 -6.638 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.408 -8.396 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.982 -7.152 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.451 -8.096 -9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.491 -6.454 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.084 -5.448 -7.957 1.00 0.00 H new