USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 490 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 39 HIS : no HE2:sc= -4.1! C(o=-5.3!,f=-6.8!) USER MOD Set 1.2: A 43 ASN : amide:sc= -1.16 K(o=-5.3,f=-6.8) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -150:sc= 0.759 (180deg=0.00507) USER MOD Set 2.2: A 59 TYR OH : rot 180:sc= 0.644 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.802 USER MOD Single : A 23 THR OG1 : rot -68:sc= 0.957 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 160:sc= -1 USER MOD Single : A 37 LYS NZ :NH3+ 166:sc=-0.00237 (180deg=-0.174) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0545 USER MOD Single : A 51 LYS NZ :NH3+ 136:sc= -0.629 (180deg=-2.55!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -8:sc= 1.25 USER MOD Single : A 63 SER OG : rot 142:sc= 0.216 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 30:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 147 N LYS A 11 -1.238 -5.070 -1.430 1.00 0.00 N ATOM 148 CA LYS A 11 -0.656 -3.770 -1.102 1.00 0.00 C ATOM 149 C LYS A 11 -1.056 -3.332 0.288 1.00 0.00 C ATOM 150 O LYS A 11 -0.239 -2.820 1.035 1.00 0.00 O ATOM 151 CB LYS A 11 -1.079 -2.689 -2.093 1.00 0.00 C ATOM 152 CG LYS A 11 -0.480 -2.826 -3.479 1.00 0.00 C ATOM 153 CD LYS A 11 -0.883 -1.652 -4.366 1.00 0.00 C ATOM 154 CE LYS A 11 -0.255 -0.351 -3.866 1.00 0.00 C ATOM 155 NZ LYS A 11 -0.600 0.814 -4.718 1.00 0.00 N ATOM 0 HA LYS A 11 0.426 -3.895 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.165 -2.701 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.802 -1.716 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.606 -2.876 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.812 -3.760 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.569 -1.842 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.969 -1.556 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.587 -0.161 -2.845 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.829 -0.464 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.149 1.670 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.261 0.648 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.632 0.942 -4.730 1.00 0.00 H new ATOM 169 N PHE A 12 -2.299 -3.564 0.646 1.00 0.00 N ATOM 170 CA PHE A 12 -2.777 -3.164 1.947 1.00 0.00 C ATOM 171 C PHE A 12 -2.170 -4.019 3.054 1.00 0.00 C ATOM 172 O PHE A 12 -1.881 -3.515 4.141 1.00 0.00 O ATOM 173 CB PHE A 12 -4.301 -3.159 2.012 1.00 0.00 C ATOM 174 CG PHE A 12 -4.924 -1.985 1.301 1.00 0.00 C ATOM 175 CD1 PHE A 12 -5.949 -2.166 0.391 1.00 0.00 C ATOM 176 CD2 PHE A 12 -4.479 -0.693 1.549 1.00 0.00 C ATOM 177 CE1 PHE A 12 -6.523 -1.084 -0.253 1.00 0.00 C ATOM 178 CE2 PHE A 12 -5.044 0.387 0.908 1.00 0.00 C ATOM 179 CZ PHE A 12 -6.068 0.193 0.008 1.00 0.00 C ATOM 0 H PHE A 12 -2.993 -4.025 0.057 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.446 -2.139 2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.679 -4.083 1.574 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.613 -3.150 3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.306 -3.163 0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.678 -0.533 2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.326 -1.238 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.684 1.385 1.111 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.515 1.039 -0.493 1.00 0.00 H new ATOM 189 N TYR A 13 -1.962 -5.313 2.777 1.00 0.00 N ATOM 190 CA TYR A 13 -1.345 -6.188 3.766 1.00 0.00 C ATOM 191 C TYR A 13 0.102 -5.761 3.981 1.00 0.00 C ATOM 192 O TYR A 13 0.562 -5.627 5.110 1.00 0.00 O ATOM 193 CB TYR A 13 -1.385 -7.661 3.323 1.00 0.00 C ATOM 194 CG TYR A 13 -2.776 -8.248 3.180 1.00 0.00 C ATOM 195 CD1 TYR A 13 -3.243 -8.676 1.947 1.00 0.00 C ATOM 196 CD2 TYR A 13 -3.616 -8.378 4.278 1.00 0.00 C ATOM 197 CE1 TYR A 13 -4.505 -9.219 1.811 1.00 0.00 C ATOM 198 CE2 TYR A 13 -4.879 -8.919 4.151 1.00 0.00 C ATOM 199 CZ TYR A 13 -5.319 -9.338 2.915 1.00 0.00 C ATOM 200 OH TYR A 13 -6.579 -9.871 2.784 1.00 0.00 O ATOM 0 H TYR A 13 -2.207 -5.764 1.895 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.908 -6.102 4.695 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.868 -7.752 2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.827 -8.258 4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.609 -8.583 1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.275 -8.050 5.249 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.852 -9.549 0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.519 -9.013 5.016 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.586 -10.518 2.048 1.00 0.00 H new ATOM 210 N ASP A 14 0.798 -5.525 2.872 1.00 0.00 N ATOM 211 CA ASP A 14 2.183 -5.052 2.903 1.00 0.00 C ATOM 212 C ASP A 14 2.318 -3.726 3.615 1.00 0.00 C ATOM 213 O ASP A 14 3.234 -3.536 4.411 1.00 0.00 O ATOM 214 CB ASP A 14 2.741 -4.913 1.484 1.00 0.00 C ATOM 215 CG ASP A 14 3.122 -6.239 0.851 1.00 0.00 C ATOM 216 OD1 ASP A 14 2.349 -6.756 0.021 1.00 0.00 O ATOM 217 OD2 ASP A 14 4.210 -6.764 1.168 1.00 0.00 O ATOM 0 H ASP A 14 0.423 -5.654 1.932 1.00 0.00 H new ATOM 0 HA ASP A 14 2.753 -5.799 3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.998 -4.420 0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.618 -4.266 1.509 1.00 0.00 H new ATOM 222 N ILE A 15 1.412 -2.808 3.332 1.00 0.00 N ATOM 223 CA ILE A 15 1.440 -1.496 3.963 1.00 0.00 C ATOM 224 C ILE A 15 1.256 -1.581 5.488 1.00 0.00 C ATOM 225 O ILE A 15 2.030 -0.981 6.246 1.00 0.00 O ATOM 226 CB ILE A 15 0.394 -0.551 3.326 1.00 0.00 C ATOM 227 CG1 ILE A 15 0.828 -0.170 1.905 1.00 0.00 C ATOM 228 CG2 ILE A 15 0.164 0.695 4.179 1.00 0.00 C ATOM 229 CD1 ILE A 15 -0.235 0.564 1.120 1.00 0.00 C ATOM 0 H ILE A 15 0.648 -2.944 2.671 1.00 0.00 H new ATOM 0 HA ILE A 15 2.430 -1.076 3.785 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.556 -1.083 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.720 0.454 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.106 -1.075 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.577 1.333 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.196 0.400 5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.101 1.242 4.284 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.145 0.800 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.121 -0.065 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.497 1.487 1.637 1.00 0.00 H new ATOM 241 N LEU A 16 0.242 -2.320 5.935 1.00 0.00 N ATOM 242 CA LEU A 16 0.034 -2.513 7.373 1.00 0.00 C ATOM 243 C LEU A 16 1.143 -3.362 8.015 1.00 0.00 C ATOM 244 O LEU A 16 1.449 -3.200 9.196 1.00 0.00 O ATOM 245 CB LEU A 16 -1.345 -3.125 7.686 1.00 0.00 C ATOM 246 CG LEU A 16 -2.578 -2.246 7.422 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.843 -3.012 7.758 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.505 -0.966 8.239 1.00 0.00 C ATOM 0 H LEU A 16 -0.438 -2.788 5.337 1.00 0.00 H new ATOM 0 HA LEU A 16 0.073 -1.516 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.450 -4.039 7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.355 -3.416 8.737 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.596 -1.979 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.712 -2.381 7.568 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.902 -3.907 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.826 -3.299 8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.386 -0.356 8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.468 -1.213 9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.609 -0.410 7.964 1.00 0.00 H new ATOM 260 N GLY A 17 1.750 -4.245 7.237 1.00 0.00 N ATOM 261 CA GLY A 17 2.789 -5.109 7.774 1.00 0.00 C ATOM 262 C GLY A 17 2.217 -6.435 8.232 1.00 0.00 C ATOM 263 O GLY A 17 2.877 -7.220 8.916 1.00 0.00 O ATOM 0 H GLY A 17 1.545 -4.381 6.247 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.551 -5.282 7.014 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.281 -4.614 8.611 1.00 0.00 H new ATOM 267 N VAL A 18 0.987 -6.670 7.840 1.00 0.00 N ATOM 268 CA VAL A 18 0.278 -7.890 8.163 1.00 0.00 C ATOM 269 C VAL A 18 0.381 -8.862 6.994 1.00 0.00 C ATOM 270 O VAL A 18 0.614 -8.444 5.857 1.00 0.00 O ATOM 271 CB VAL A 18 -1.215 -7.615 8.463 1.00 0.00 C ATOM 272 CG1 VAL A 18 -1.360 -6.781 9.710 1.00 0.00 C ATOM 273 CG2 VAL A 18 -1.888 -6.932 7.284 1.00 0.00 C ATOM 0 H VAL A 18 0.442 -6.013 7.281 1.00 0.00 H new ATOM 0 HA VAL A 18 0.734 -8.319 9.055 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.709 -8.572 8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.417 -6.598 9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.922 -7.311 10.555 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.846 -5.829 9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.937 -6.749 7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.391 -5.983 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.820 -7.573 6.405 1.00 0.00 H new ATOM 283 N PRO A 19 0.241 -10.164 7.240 1.00 0.00 N ATOM 284 CA PRO A 19 0.279 -11.161 6.170 1.00 0.00 C ATOM 285 C PRO A 19 -0.996 -11.118 5.357 1.00 0.00 C ATOM 286 O PRO A 19 -1.969 -10.493 5.759 1.00 0.00 O ATOM 287 CB PRO A 19 0.343 -12.481 6.934 1.00 0.00 C ATOM 288 CG PRO A 19 -0.394 -12.196 8.188 1.00 0.00 C ATOM 289 CD PRO A 19 0.011 -10.793 8.566 1.00 0.00 C ATOM 0 HA PRO A 19 1.105 -11.006 5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.121 -13.292 6.372 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.372 -12.779 7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.471 -12.270 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.132 -12.907 8.971 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.770 -10.282 9.129 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.909 -10.781 9.183 1.00 0.00 H new ATOM 297 N VAL A 20 -0.992 -11.754 4.214 1.00 0.00 N ATOM 298 CA VAL A 20 -2.207 -11.895 3.439 1.00 0.00 C ATOM 299 C VAL A 20 -3.210 -12.667 4.306 1.00 0.00 C ATOM 300 O VAL A 20 -4.412 -12.401 4.307 1.00 0.00 O ATOM 301 CB VAL A 20 -1.946 -12.666 2.123 1.00 0.00 C ATOM 302 CG1 VAL A 20 -3.236 -12.916 1.365 1.00 0.00 C ATOM 303 CG2 VAL A 20 -0.949 -11.921 1.261 1.00 0.00 C ATOM 0 H VAL A 20 -0.166 -12.183 3.797 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.592 -10.912 3.167 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.522 -13.637 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.018 -13.459 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.913 -13.506 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.705 -11.963 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.777 -12.477 0.340 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.342 -10.933 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.008 -11.815 1.801 1.00 0.00 H new ATOM 313 N THR A 21 -2.666 -13.613 5.058 1.00 0.00 N ATOM 314 CA THR A 21 -3.405 -14.450 5.991 1.00 0.00 C ATOM 315 C THR A 21 -3.751 -13.713 7.299 1.00 0.00 C ATOM 316 O THR A 21 -4.154 -14.344 8.283 1.00 0.00 O ATOM 317 CB THR A 21 -2.555 -15.676 6.344 1.00 0.00 C ATOM 318 OG1 THR A 21 -1.184 -15.275 6.488 1.00 0.00 O ATOM 319 CG2 THR A 21 -2.675 -16.754 5.281 1.00 0.00 C ATOM 0 H THR A 21 -1.669 -13.825 5.035 1.00 0.00 H new ATOM 0 HA THR A 21 -4.338 -14.733 5.503 1.00 0.00 H new ATOM 0 HB THR A 21 -2.919 -16.094 7.283 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.637 -16.056 6.715 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.061 -17.610 5.560 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.716 -17.066 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.335 -16.360 4.323 1.00 0.00 H new ATOM 327 N ALA A 22 -3.592 -12.395 7.306 1.00 0.00 N ATOM 328 CA ALA A 22 -3.802 -11.589 8.506 1.00 0.00 C ATOM 329 C ALA A 22 -5.188 -11.711 9.091 1.00 0.00 C ATOM 330 O ALA A 22 -6.190 -11.833 8.374 1.00 0.00 O ATOM 331 CB ALA A 22 -3.519 -10.134 8.223 1.00 0.00 C ATOM 0 H ALA A 22 -3.315 -11.856 6.486 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.104 -11.983 9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.681 -9.549 9.128 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.485 -10.021 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.187 -9.779 7.438 1.00 0.00 H new ATOM 337 N THR A 23 -5.224 -11.681 10.397 1.00 0.00 N ATOM 338 CA THR A 23 -6.450 -11.663 11.142 1.00 0.00 C ATOM 339 C THR A 23 -6.741 -10.227 11.561 1.00 0.00 C ATOM 340 O THR A 23 -5.843 -9.378 11.525 1.00 0.00 O ATOM 341 CB THR A 23 -6.351 -12.560 12.392 1.00 0.00 C ATOM 342 OG1 THR A 23 -5.243 -12.138 13.202 1.00 0.00 O ATOM 343 CG2 THR A 23 -6.169 -14.021 11.997 1.00 0.00 C ATOM 0 H THR A 23 -4.387 -11.668 10.980 1.00 0.00 H new ATOM 0 HA THR A 23 -7.255 -12.048 10.516 1.00 0.00 H new ATOM 0 HB THR A 23 -7.277 -12.467 12.959 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.404 -12.327 12.733 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.102 -14.635 12.895 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.021 -14.345 11.399 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.254 -14.129 11.414 1.00 0.00 H new ATOM 351 N ASP A 24 -7.964 -9.955 11.974 1.00 0.00 N ATOM 352 CA ASP A 24 -8.374 -8.609 12.351 1.00 0.00 C ATOM 353 C ASP A 24 -7.554 -8.061 13.490 1.00 0.00 C ATOM 354 O ASP A 24 -7.257 -6.877 13.530 1.00 0.00 O ATOM 355 CB ASP A 24 -9.849 -8.561 12.725 1.00 0.00 C ATOM 356 CG ASP A 24 -10.271 -9.574 13.774 1.00 0.00 C ATOM 357 OD1 ASP A 24 -10.055 -10.787 13.564 1.00 0.00 O ATOM 358 OD2 ASP A 24 -10.852 -9.157 14.800 1.00 0.00 O ATOM 0 H ASP A 24 -8.701 -10.655 12.059 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.205 -7.985 11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.085 -7.561 13.089 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.443 -8.721 11.825 1.00 0.00 H new ATOM 363 N VAL A 25 -7.181 -8.919 14.398 1.00 0.00 N ATOM 364 CA VAL A 25 -6.391 -8.524 15.547 1.00 0.00 C ATOM 365 C VAL A 25 -5.016 -7.993 15.104 1.00 0.00 C ATOM 366 O VAL A 25 -4.546 -6.955 15.588 1.00 0.00 O ATOM 367 CB VAL A 25 -6.228 -9.713 16.499 1.00 0.00 C ATOM 368 CG1 VAL A 25 -5.215 -9.415 17.600 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.573 -10.092 17.103 1.00 0.00 C ATOM 0 H VAL A 25 -7.412 -9.912 14.369 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.910 -7.721 16.071 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.848 -10.555 15.920 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.126 -10.281 18.256 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.245 -9.197 17.153 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.549 -8.554 18.179 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.443 -10.938 17.778 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.975 -9.244 17.658 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.265 -10.365 16.307 1.00 0.00 H new ATOM 379 N GLU A 26 -4.397 -8.696 14.155 1.00 0.00 N ATOM 380 CA GLU A 26 -3.103 -8.298 13.598 1.00 0.00 C ATOM 381 C GLU A 26 -3.257 -6.982 12.874 1.00 0.00 C ATOM 382 O GLU A 26 -2.393 -6.115 12.926 1.00 0.00 O ATOM 383 CB GLU A 26 -2.612 -9.372 12.629 1.00 0.00 C ATOM 384 CG GLU A 26 -2.259 -10.683 13.303 1.00 0.00 C ATOM 385 CD GLU A 26 -1.952 -11.772 12.309 1.00 0.00 C ATOM 386 OE1 GLU A 26 -2.903 -12.298 11.697 1.00 0.00 O ATOM 387 OE2 GLU A 26 -0.763 -12.108 12.137 1.00 0.00 O ATOM 0 H GLU A 26 -4.776 -9.553 13.752 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.375 -8.185 14.401 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.383 -9.554 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.736 -8.998 12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.397 -10.534 13.953 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.087 -10.997 13.938 1.00 0.00 H new ATOM 394 N ILE A 27 -4.378 -6.858 12.216 1.00 0.00 N ATOM 395 CA ILE A 27 -4.733 -5.690 11.451 1.00 0.00 C ATOM 396 C ILE A 27 -4.915 -4.462 12.358 1.00 0.00 C ATOM 397 O ILE A 27 -4.456 -3.370 12.033 1.00 0.00 O ATOM 398 CB ILE A 27 -6.009 -5.982 10.630 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.674 -7.007 9.540 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.575 -4.702 10.018 1.00 0.00 C ATOM 401 CD1 ILE A 27 -6.878 -7.636 8.890 1.00 0.00 C ATOM 0 H ILE A 27 -5.091 -7.587 12.196 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.920 -5.456 10.764 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.775 -6.390 11.290 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.074 -6.520 8.772 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.058 -7.794 9.975 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.472 -4.938 9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.825 -3.999 10.812 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.832 -4.254 9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.552 -8.348 8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.469 -8.155 9.644 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.486 -6.861 8.423 1.00 0.00 H new ATOM 413 N LYS A 28 -5.573 -4.659 13.501 1.00 0.00 N ATOM 414 CA LYS A 28 -5.822 -3.578 14.454 1.00 0.00 C ATOM 415 C LYS A 28 -4.509 -3.006 14.969 1.00 0.00 C ATOM 416 O LYS A 28 -4.322 -1.790 15.023 1.00 0.00 O ATOM 417 CB LYS A 28 -6.613 -4.122 15.657 1.00 0.00 C ATOM 418 CG LYS A 28 -8.037 -4.563 15.352 1.00 0.00 C ATOM 419 CD LYS A 28 -8.931 -3.398 14.992 1.00 0.00 C ATOM 420 CE LYS A 28 -9.145 -2.471 16.182 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.158 -1.425 15.902 1.00 0.00 N ATOM 0 H LYS A 28 -5.945 -5.564 13.790 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.387 -2.798 13.944 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.069 -4.969 16.075 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.646 -3.352 16.428 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.026 -5.278 14.529 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.449 -5.081 16.218 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.487 -2.838 14.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.894 -3.771 14.642 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.460 -3.057 17.045 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.199 -1.997 16.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.935 -0.570 16.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.151 -1.197 14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.100 -1.773 16.172 1.00 0.00 H new ATOM 435 N LYS A 29 -3.597 -3.893 15.329 1.00 0.00 N ATOM 436 CA LYS A 29 -2.319 -3.470 15.860 1.00 0.00 C ATOM 437 C LYS A 29 -1.414 -2.913 14.777 1.00 0.00 C ATOM 438 O LYS A 29 -0.661 -1.977 15.018 1.00 0.00 O ATOM 439 CB LYS A 29 -1.642 -4.582 16.668 1.00 0.00 C ATOM 440 CG LYS A 29 -1.377 -5.866 15.899 1.00 0.00 C ATOM 441 CD LYS A 29 -0.798 -6.945 16.813 1.00 0.00 C ATOM 442 CE LYS A 29 0.523 -6.502 17.438 1.00 0.00 C ATOM 443 NZ LYS A 29 1.114 -7.554 18.303 1.00 0.00 N ATOM 0 H LYS A 29 -3.719 -4.903 15.263 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.514 -2.653 16.555 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.695 -4.205 17.053 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.266 -4.815 17.530 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.304 -6.223 15.451 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.684 -5.667 15.081 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.514 -7.178 17.601 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.642 -7.861 16.243 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.229 -6.245 16.648 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.360 -5.599 18.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.009 -7.210 18.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.453 -7.782 19.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.295 -8.408 17.737 1.00 0.00 H new ATOM 457 N ALA A 30 -1.483 -3.484 13.591 1.00 0.00 N ATOM 458 CA ALA A 30 -0.727 -2.980 12.467 1.00 0.00 C ATOM 459 C ALA A 30 -1.185 -1.587 12.120 1.00 0.00 C ATOM 460 O ALA A 30 -0.379 -0.712 11.844 1.00 0.00 O ATOM 461 CB ALA A 30 -0.871 -3.892 11.277 1.00 0.00 C ATOM 0 H ALA A 30 -2.058 -4.300 13.383 1.00 0.00 H new ATOM 0 HA ALA A 30 0.327 -2.946 12.744 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.294 -3.494 10.442 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.502 -4.885 11.533 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.922 -3.957 10.994 1.00 0.00 H new ATOM 467 N TYR A 31 -2.492 -1.387 12.149 1.00 0.00 N ATOM 468 CA TYR A 31 -3.070 -0.090 11.895 1.00 0.00 C ATOM 469 C TYR A 31 -2.633 0.901 12.950 1.00 0.00 C ATOM 470 O TYR A 31 -2.167 1.998 12.632 1.00 0.00 O ATOM 471 CB TYR A 31 -4.597 -0.182 11.846 1.00 0.00 C ATOM 472 CG TYR A 31 -5.291 1.163 11.835 1.00 0.00 C ATOM 473 CD1 TYR A 31 -5.262 1.982 10.714 1.00 0.00 C ATOM 474 CD2 TYR A 31 -5.983 1.608 12.953 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.903 3.205 10.711 1.00 0.00 C ATOM 476 CE2 TYR A 31 -6.624 2.827 12.958 1.00 0.00 C ATOM 477 CZ TYR A 31 -6.582 3.622 11.836 1.00 0.00 C ATOM 478 OH TYR A 31 -7.227 4.840 11.837 1.00 0.00 O ATOM 0 H TYR A 31 -3.174 -2.119 12.349 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.715 0.260 10.926 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.890 -0.738 10.956 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.945 -0.753 12.707 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.730 1.658 9.832 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.019 0.987 13.836 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.873 3.832 9.832 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.157 3.157 13.838 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.657 4.982 12.706 1.00 0.00 H new ATOM 488 N ARG A 32 -2.768 0.500 14.214 1.00 0.00 N ATOM 489 CA ARG A 32 -2.427 1.372 15.311 1.00 0.00 C ATOM 490 C ARG A 32 -0.948 1.719 15.280 1.00 0.00 C ATOM 491 O ARG A 32 -0.574 2.853 15.539 1.00 0.00 O ATOM 492 CB ARG A 32 -2.845 0.765 16.684 1.00 0.00 C ATOM 493 CG ARG A 32 -1.882 -0.269 17.276 1.00 0.00 C ATOM 494 CD ARG A 32 -0.831 0.398 18.160 1.00 0.00 C ATOM 495 NE ARG A 32 0.215 -0.529 18.596 1.00 0.00 N ATOM 496 CZ ARG A 32 1.217 -0.189 19.418 1.00 0.00 C ATOM 497 NH1 ARG A 32 1.279 1.041 19.922 1.00 0.00 N ATOM 498 NH2 ARG A 32 2.152 -1.075 19.739 1.00 0.00 N ATOM 0 H ARG A 32 -3.110 -0.420 14.491 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.993 2.296 15.190 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.960 1.579 17.400 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.824 0.299 16.571 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.442 -0.999 17.860 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.390 -0.815 16.471 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.374 1.223 17.614 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.318 0.827 19.036 1.00 0.00 H new ATOM 0 HE ARG A 32 0.179 -1.489 18.254 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.563 1.727 19.683 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.043 1.298 20.548 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.110 -2.021 19.359 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.912 -0.810 20.365 1.00 0.00 H new ATOM 512 N LYS A 33 -0.099 0.749 14.935 1.00 0.00 N ATOM 513 CA LYS A 33 1.317 1.030 14.892 1.00 0.00 C ATOM 514 C LYS A 33 1.650 1.859 13.673 1.00 0.00 C ATOM 515 O LYS A 33 2.392 2.797 13.768 1.00 0.00 O ATOM 516 CB LYS A 33 2.186 -0.245 14.935 1.00 0.00 C ATOM 517 CG LYS A 33 2.230 -1.036 13.642 1.00 0.00 C ATOM 518 CD LYS A 33 3.100 -2.276 13.781 1.00 0.00 C ATOM 519 CE LYS A 33 3.173 -3.059 12.476 1.00 0.00 C ATOM 520 NZ LYS A 33 4.032 -4.261 12.603 1.00 0.00 N ATOM 0 H LYS A 33 -0.365 -0.205 14.690 1.00 0.00 H new ATOM 0 HA LYS A 33 1.554 1.597 15.792 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.204 0.036 15.206 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.813 -0.894 15.727 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.219 -1.329 13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.617 -0.406 12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.104 -1.984 14.087 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.700 -2.916 14.568 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.169 -3.360 12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.562 -2.415 11.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.057 -4.767 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.996 -3.973 12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.646 -4.887 13.338 1.00 0.00 H new ATOM 534 N CYS A 34 1.055 1.537 12.534 1.00 0.00 N ATOM 535 CA CYS A 34 1.352 2.272 11.313 1.00 0.00 C ATOM 536 C CYS A 34 0.985 3.741 11.466 1.00 0.00 C ATOM 537 O CYS A 34 1.792 4.625 11.171 1.00 0.00 O ATOM 538 CB CYS A 34 0.617 1.667 10.111 1.00 0.00 C ATOM 539 SG CYS A 34 0.971 2.487 8.533 1.00 0.00 S ATOM 0 H CYS A 34 0.375 0.784 12.429 1.00 0.00 H new ATOM 0 HA CYS A 34 2.424 2.196 11.133 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.885 0.614 10.028 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.456 1.709 10.297 1.00 0.00 H new ATOM 0 HG CYS A 34 0.672 1.688 7.552 1.00 0.00 H new ATOM 545 N ALA A 35 -0.225 3.994 11.937 1.00 0.00 N ATOM 546 CA ALA A 35 -0.690 5.356 12.129 1.00 0.00 C ATOM 547 C ALA A 35 0.138 6.094 13.187 1.00 0.00 C ATOM 548 O ALA A 35 0.596 7.190 12.956 1.00 0.00 O ATOM 549 CB ALA A 35 -2.159 5.352 12.523 1.00 0.00 C ATOM 0 H ALA A 35 -0.901 3.275 12.193 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.568 5.887 11.185 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.500 6.377 12.665 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.746 4.880 11.735 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.285 4.796 13.452 1.00 0.00 H new ATOM 555 N LEU A 36 0.341 5.464 14.333 1.00 0.00 N ATOM 556 CA LEU A 36 1.101 6.091 15.414 1.00 0.00 C ATOM 557 C LEU A 36 2.562 6.317 15.033 1.00 0.00 C ATOM 558 O LEU A 36 3.149 7.350 15.353 1.00 0.00 O ATOM 559 CB LEU A 36 1.003 5.275 16.702 1.00 0.00 C ATOM 560 CG LEU A 36 -0.369 5.266 17.386 1.00 0.00 C ATOM 561 CD1 LEU A 36 -0.377 4.292 18.552 1.00 0.00 C ATOM 562 CD2 LEU A 36 -0.743 6.664 17.860 1.00 0.00 C ATOM 0 H LEU A 36 -0.004 4.527 14.542 1.00 0.00 H new ATOM 0 HA LEU A 36 0.653 7.069 15.589 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.283 4.245 16.479 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.738 5.659 17.410 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.111 4.940 16.657 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.359 4.299 19.025 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.156 3.288 18.189 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.379 4.589 19.279 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.720 6.635 18.342 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.003 7.019 18.571 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.780 7.340 17.006 1.00 0.00 H new ATOM 574 N LYS A 37 3.140 5.351 14.360 1.00 0.00 N ATOM 575 CA LYS A 37 4.530 5.428 13.948 1.00 0.00 C ATOM 576 C LYS A 37 4.760 6.450 12.827 1.00 0.00 C ATOM 577 O LYS A 37 5.784 7.110 12.809 1.00 0.00 O ATOM 578 CB LYS A 37 5.041 4.047 13.515 1.00 0.00 C ATOM 579 CG LYS A 37 5.144 3.039 14.662 1.00 0.00 C ATOM 580 CD LYS A 37 5.465 1.638 14.163 1.00 0.00 C ATOM 581 CE LYS A 37 6.863 1.552 13.569 1.00 0.00 C ATOM 582 NZ LYS A 37 7.916 1.771 14.593 1.00 0.00 N ATOM 0 H LYS A 37 2.667 4.491 14.081 1.00 0.00 H new ATOM 0 HA LYS A 37 5.095 5.769 14.816 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.375 3.647 12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.022 4.161 13.055 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.917 3.361 15.359 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.204 3.021 15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.377 0.930 14.987 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.733 1.344 13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.002 0.574 13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.967 2.294 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.837 1.475 14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.953 2.780 14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.696 1.212 15.442 1.00 0.00 H new ATOM 596 N TYR A 38 3.823 6.535 11.871 1.00 0.00 N ATOM 597 CA TYR A 38 4.004 7.403 10.688 1.00 0.00 C ATOM 598 C TYR A 38 2.994 8.551 10.539 1.00 0.00 C ATOM 599 O TYR A 38 2.894 9.141 9.468 1.00 0.00 O ATOM 600 CB TYR A 38 4.004 6.530 9.445 1.00 0.00 C ATOM 601 CG TYR A 38 5.197 5.609 9.387 1.00 0.00 C ATOM 602 CD1 TYR A 38 5.150 4.347 9.960 1.00 0.00 C ATOM 603 CD2 TYR A 38 6.377 6.006 8.771 1.00 0.00 C ATOM 604 CE1 TYR A 38 6.240 3.508 9.925 1.00 0.00 C ATOM 605 CE2 TYR A 38 7.472 5.169 8.727 1.00 0.00 C ATOM 606 CZ TYR A 38 7.398 3.922 9.307 1.00 0.00 C ATOM 607 OH TYR A 38 8.490 3.085 9.273 1.00 0.00 O ATOM 0 H TYR A 38 2.941 6.022 11.888 1.00 0.00 H new ATOM 0 HA TYR A 38 4.958 7.910 10.829 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.090 5.937 9.421 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.995 7.165 8.559 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.242 4.017 10.442 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.438 6.985 8.320 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.187 2.530 10.380 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.382 5.489 8.241 1.00 0.00 H new ATOM 0 HH TYR A 38 9.226 3.526 8.799 1.00 0.00 H new ATOM 617 N HIS A 39 2.269 8.870 11.580 1.00 0.00 N ATOM 618 CA HIS A 39 1.302 9.984 11.516 1.00 0.00 C ATOM 619 C HIS A 39 2.012 11.336 11.286 1.00 0.00 C ATOM 620 O HIS A 39 3.102 11.561 11.798 1.00 0.00 O ATOM 621 CB HIS A 39 0.474 10.045 12.806 1.00 0.00 C ATOM 622 CG HIS A 39 1.284 10.325 14.039 1.00 0.00 C ATOM 623 ND1 HIS A 39 0.761 10.915 15.163 1.00 0.00 N ATOM 624 CD2 HIS A 39 2.582 10.059 14.329 1.00 0.00 C ATOM 625 CE1 HIS A 39 1.699 10.998 16.086 1.00 0.00 C ATOM 626 NE2 HIS A 39 2.807 10.482 15.607 1.00 0.00 N ATOM 0 H HIS A 39 2.313 8.393 12.481 1.00 0.00 H new ATOM 0 HA HIS A 39 0.640 9.799 10.670 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.287 10.818 12.701 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.049 9.098 12.935 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -0.201 11.238 15.268 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.304 9.598 13.671 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.576 11.420 17.072 1.00 0.00 H new ATOM 634 N PRO A 40 1.364 12.269 10.564 1.00 0.00 N ATOM 635 CA PRO A 40 1.952 13.589 10.238 1.00 0.00 C ATOM 636 C PRO A 40 2.210 14.459 11.476 1.00 0.00 C ATOM 637 O PRO A 40 3.010 15.393 11.433 1.00 0.00 O ATOM 638 CB PRO A 40 0.891 14.238 9.337 1.00 0.00 C ATOM 639 CG PRO A 40 -0.376 13.530 9.672 1.00 0.00 C ATOM 640 CD PRO A 40 0.016 12.116 9.986 1.00 0.00 C ATOM 0 HA PRO A 40 2.931 13.484 9.770 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.809 15.308 9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.142 14.122 8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.871 13.997 10.524 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.076 13.565 8.837 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.675 11.652 10.690 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.028 11.492 9.092 1.00 0.00 H new ATOM 648 N ASP A 41 1.544 14.132 12.575 1.00 0.00 N ATOM 649 CA ASP A 41 1.662 14.887 13.836 1.00 0.00 C ATOM 650 C ASP A 41 3.067 14.809 14.425 1.00 0.00 C ATOM 651 O ASP A 41 3.457 15.643 15.239 1.00 0.00 O ATOM 652 CB ASP A 41 0.653 14.372 14.851 1.00 0.00 C ATOM 653 CG ASP A 41 -0.765 14.688 14.459 1.00 0.00 C ATOM 654 OD1 ASP A 41 -1.245 15.789 14.785 1.00 0.00 O ATOM 655 OD2 ASP A 41 -1.401 13.845 13.803 1.00 0.00 O ATOM 0 H ASP A 41 0.905 13.339 12.628 1.00 0.00 H new ATOM 0 HA ASP A 41 1.456 15.932 13.606 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.766 13.293 14.957 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.865 14.812 15.826 1.00 0.00 H new ATOM 660 N LYS A 42 3.818 13.813 14.008 1.00 0.00 N ATOM 661 CA LYS A 42 5.177 13.603 14.503 1.00 0.00 C ATOM 662 C LYS A 42 6.110 13.288 13.350 1.00 0.00 C ATOM 663 O LYS A 42 7.304 13.571 13.398 1.00 0.00 O ATOM 664 CB LYS A 42 5.221 12.482 15.547 1.00 0.00 C ATOM 665 CG LYS A 42 4.575 12.834 16.879 1.00 0.00 C ATOM 666 CD LYS A 42 5.367 13.903 17.613 1.00 0.00 C ATOM 667 CE LYS A 42 4.779 14.180 18.983 1.00 0.00 C ATOM 668 NZ LYS A 42 5.545 15.213 19.717 1.00 0.00 N ATOM 0 H LYS A 42 3.513 13.125 13.320 1.00 0.00 H new ATOM 0 HA LYS A 42 5.507 14.523 14.986 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.724 11.602 15.138 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.261 12.208 15.723 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.557 13.185 16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.505 11.940 17.499 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.404 13.583 17.718 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.374 14.821 17.025 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.744 14.505 18.874 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.764 13.258 19.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.110 15.372 20.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.526 14.893 19.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.538 16.101 19.175 1.00 0.00 H new ATOM 682 N ASN A 43 5.545 12.722 12.309 1.00 0.00 N ATOM 683 CA ASN A 43 6.279 12.350 11.129 1.00 0.00 C ATOM 684 C ASN A 43 5.953 13.331 10.013 1.00 0.00 C ATOM 685 O ASN A 43 4.862 13.310 9.458 1.00 0.00 O ATOM 686 CB ASN A 43 5.894 10.927 10.734 1.00 0.00 C ATOM 687 CG ASN A 43 6.199 9.938 11.836 1.00 0.00 C ATOM 688 OD1 ASN A 43 5.413 9.776 12.778 1.00 0.00 O ATOM 689 ND2 ASN A 43 7.333 9.269 11.737 1.00 0.00 N ATOM 0 H ASN A 43 4.549 12.506 12.260 1.00 0.00 H new ATOM 0 HA ASN A 43 7.352 12.382 11.318 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.831 10.890 10.496 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.433 10.642 9.830 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.588 8.589 12.453 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.954 9.432 10.944 1.00 0.00 H new ATOM 696 N PRO A 44 6.903 14.215 9.685 1.00 0.00 N ATOM 697 CA PRO A 44 6.695 15.291 8.703 1.00 0.00 C ATOM 698 C PRO A 44 6.621 14.808 7.254 1.00 0.00 C ATOM 699 O PRO A 44 6.208 15.558 6.367 1.00 0.00 O ATOM 700 CB PRO A 44 7.914 16.185 8.908 1.00 0.00 C ATOM 701 CG PRO A 44 8.974 15.262 9.394 1.00 0.00 C ATOM 702 CD PRO A 44 8.273 14.236 10.240 1.00 0.00 C ATOM 0 HA PRO A 44 5.737 15.786 8.860 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.208 16.674 7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.711 16.973 9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.494 14.791 8.560 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.724 15.800 9.974 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.752 13.259 10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.276 14.514 11.294 1.00 0.00 H new ATOM 710 N SER A 45 7.029 13.576 7.008 1.00 0.00 N ATOM 711 CA SER A 45 7.032 13.048 5.673 1.00 0.00 C ATOM 712 C SER A 45 5.643 12.794 5.158 1.00 0.00 C ATOM 713 O SER A 45 4.836 12.115 5.796 1.00 0.00 O ATOM 714 CB SER A 45 7.846 11.784 5.623 1.00 0.00 C ATOM 715 OG SER A 45 7.684 11.035 6.813 1.00 0.00 O ATOM 0 H SER A 45 7.361 12.928 7.723 1.00 0.00 H new ATOM 0 HA SER A 45 7.483 13.799 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.542 11.184 4.766 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.899 12.029 5.483 1.00 0.00 H new ATOM 0 HG SER A 45 8.220 10.216 6.760 1.00 0.00 H new ATOM 721 N GLU A 46 5.378 13.333 3.995 1.00 0.00 N ATOM 722 CA GLU A 46 4.102 13.150 3.344 1.00 0.00 C ATOM 723 C GLU A 46 3.887 11.706 2.964 1.00 0.00 C ATOM 724 O GLU A 46 2.786 11.233 2.985 1.00 0.00 O ATOM 725 CB GLU A 46 3.930 14.081 2.156 1.00 0.00 C ATOM 726 CG GLU A 46 3.799 15.532 2.569 1.00 0.00 C ATOM 727 CD GLU A 46 3.525 16.454 1.413 1.00 0.00 C ATOM 728 OE1 GLU A 46 2.437 16.358 0.816 1.00 0.00 O ATOM 729 OE2 GLU A 46 4.395 17.290 1.104 1.00 0.00 O ATOM 0 H GLU A 46 6.037 13.910 3.473 1.00 0.00 H new ATOM 0 HA GLU A 46 3.328 13.418 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.784 13.973 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.045 13.786 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.994 15.624 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.717 15.846 3.066 1.00 0.00 H new ATOM 736 N GLU A 47 4.968 11.012 2.638 1.00 0.00 N ATOM 737 CA GLU A 47 4.916 9.586 2.314 1.00 0.00 C ATOM 738 C GLU A 47 4.346 8.832 3.499 1.00 0.00 C ATOM 739 O GLU A 47 3.552 7.903 3.347 1.00 0.00 O ATOM 740 CB GLU A 47 6.334 9.081 2.089 1.00 0.00 C ATOM 741 CG GLU A 47 7.016 9.591 0.830 1.00 0.00 C ATOM 742 CD GLU A 47 6.580 8.862 -0.417 1.00 0.00 C ATOM 743 OE1 GLU A 47 7.229 7.863 -0.786 1.00 0.00 O ATOM 744 OE2 GLU A 47 5.595 9.280 -1.033 1.00 0.00 O ATOM 0 H GLU A 47 5.904 11.415 2.590 1.00 0.00 H new ATOM 0 HA GLU A 47 4.302 9.435 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.942 9.360 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.312 7.992 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.804 10.654 0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.096 9.491 0.943 1.00 0.00 H new ATOM 751 N ALA A 48 4.773 9.244 4.678 1.00 0.00 N ATOM 752 CA ALA A 48 4.307 8.649 5.924 1.00 0.00 C ATOM 753 C ALA A 48 2.839 8.926 6.105 1.00 0.00 C ATOM 754 O ALA A 48 2.069 8.075 6.529 1.00 0.00 O ATOM 755 CB ALA A 48 5.111 9.182 7.096 1.00 0.00 C ATOM 0 H ALA A 48 5.450 9.997 4.803 1.00 0.00 H new ATOM 0 HA ALA A 48 4.451 7.569 5.881 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.752 8.729 8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.164 8.936 6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.996 10.264 7.154 1.00 0.00 H new ATOM 761 N ALA A 49 2.467 10.118 5.792 1.00 0.00 N ATOM 762 CA ALA A 49 1.071 10.516 5.830 1.00 0.00 C ATOM 763 C ALA A 49 0.257 9.707 4.820 1.00 0.00 C ATOM 764 O ALA A 49 -0.870 9.293 5.097 1.00 0.00 O ATOM 765 CB ALA A 49 0.933 12.009 5.562 1.00 0.00 C ATOM 0 H ALA A 49 3.108 10.856 5.501 1.00 0.00 H new ATOM 0 HA ALA A 49 0.680 10.312 6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.120 12.289 5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.480 12.567 6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.340 12.241 4.578 1.00 0.00 H new ATOM 771 N GLU A 50 0.838 9.493 3.644 1.00 0.00 N ATOM 772 CA GLU A 50 0.184 8.726 2.598 1.00 0.00 C ATOM 773 C GLU A 50 0.003 7.291 3.030 1.00 0.00 C ATOM 774 O GLU A 50 -1.049 6.694 2.810 1.00 0.00 O ATOM 775 CB GLU A 50 0.996 8.760 1.318 1.00 0.00 C ATOM 776 CG GLU A 50 1.246 10.150 0.804 1.00 0.00 C ATOM 777 CD GLU A 50 1.492 10.175 -0.678 1.00 0.00 C ATOM 778 OE1 GLU A 50 2.623 9.921 -1.099 1.00 0.00 O ATOM 779 OE2 GLU A 50 0.542 10.444 -1.434 1.00 0.00 O ATOM 0 H GLU A 50 1.763 9.842 3.394 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.791 9.177 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.953 8.267 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.476 8.186 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.389 10.781 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.106 10.576 1.320 1.00 0.00 H new ATOM 786 N LYS A 51 1.026 6.743 3.666 1.00 0.00 N ATOM 787 CA LYS A 51 0.952 5.377 4.140 1.00 0.00 C ATOM 788 C LYS A 51 -0.076 5.281 5.259 1.00 0.00 C ATOM 789 O LYS A 51 -0.709 4.263 5.427 1.00 0.00 O ATOM 790 CB LYS A 51 2.321 4.849 4.575 1.00 0.00 C ATOM 791 CG LYS A 51 2.847 5.439 5.839 1.00 0.00 C ATOM 792 CD LYS A 51 4.210 4.890 6.192 1.00 0.00 C ATOM 793 CE LYS A 51 4.115 3.510 6.849 1.00 0.00 C ATOM 794 NZ LYS A 51 3.941 2.409 5.864 1.00 0.00 N ATOM 0 H LYS A 51 1.906 7.219 3.863 1.00 0.00 H new ATOM 0 HA LYS A 51 0.630 4.740 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.256 3.768 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.038 5.039 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.907 6.522 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.151 5.234 6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.819 4.822 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.716 5.580 6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.017 3.329 7.433 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.277 3.502 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.564 1.616 6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.952 2.089 5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.186 2.752 4.913 1.00 0.00 H new ATOM 808 N PHE A 52 -0.220 6.368 6.027 1.00 0.00 N ATOM 809 CA PHE A 52 -1.278 6.484 7.012 1.00 0.00 C ATOM 810 C PHE A 52 -2.652 6.403 6.339 1.00 0.00 C ATOM 811 O PHE A 52 -3.520 5.641 6.765 1.00 0.00 O ATOM 812 CB PHE A 52 -1.140 7.802 7.792 1.00 0.00 C ATOM 813 CG PHE A 52 -2.349 8.144 8.627 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.642 7.445 9.780 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.198 9.171 8.238 1.00 0.00 C ATOM 816 CE1 PHE A 52 -3.760 7.759 10.533 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.314 9.490 8.984 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.595 8.784 10.134 1.00 0.00 C ATOM 0 H PHE A 52 0.394 7.181 5.977 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.189 5.654 7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.267 7.739 8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.955 8.613 7.087 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.992 6.644 10.098 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.982 9.728 7.339 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.979 7.203 11.432 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.966 10.291 8.668 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.466 9.032 10.722 1.00 0.00 H new ATOM 828 N LYS A 53 -2.836 7.191 5.281 1.00 0.00 N ATOM 829 CA LYS A 53 -4.101 7.211 4.547 1.00 0.00 C ATOM 830 C LYS A 53 -4.400 5.841 3.949 1.00 0.00 C ATOM 831 O LYS A 53 -5.530 5.349 4.021 1.00 0.00 O ATOM 832 CB LYS A 53 -4.047 8.260 3.430 1.00 0.00 C ATOM 833 CG LYS A 53 -3.941 9.697 3.925 1.00 0.00 C ATOM 834 CD LYS A 53 -5.195 10.132 4.667 1.00 0.00 C ATOM 835 CE LYS A 53 -5.089 11.579 5.119 1.00 0.00 C ATOM 836 NZ LYS A 53 -6.310 12.033 5.826 1.00 0.00 N ATOM 0 H LYS A 53 -2.126 7.824 4.913 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.896 7.469 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.193 8.046 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.942 8.165 2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.078 9.792 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.771 10.362 3.078 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.064 10.013 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.351 9.488 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.227 11.691 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.914 12.217 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.194 13.025 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.129 11.951 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.464 11.442 6.667 1.00 0.00 H new ATOM 850 N GLU A 54 -3.392 5.223 3.382 1.00 0.00 N ATOM 851 CA GLU A 54 -3.539 3.897 2.823 1.00 0.00 C ATOM 852 C GLU A 54 -3.804 2.875 3.919 1.00 0.00 C ATOM 853 O GLU A 54 -4.604 1.960 3.745 1.00 0.00 O ATOM 854 CB GLU A 54 -2.322 3.528 1.991 1.00 0.00 C ATOM 855 CG GLU A 54 -2.206 4.377 0.740 1.00 0.00 C ATOM 856 CD GLU A 54 -1.002 4.040 -0.107 1.00 0.00 C ATOM 857 OE1 GLU A 54 -1.189 3.444 -1.196 1.00 0.00 O ATOM 858 OE2 GLU A 54 0.131 4.371 0.293 1.00 0.00 O ATOM 0 H GLU A 54 -2.456 5.618 3.294 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.404 3.894 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.422 3.647 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.381 2.476 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.108 4.252 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.156 5.427 1.027 1.00 0.00 H new ATOM 865 N ALA A 55 -3.146 3.059 5.056 1.00 0.00 N ATOM 866 CA ALA A 55 -3.318 2.180 6.199 1.00 0.00 C ATOM 867 C ALA A 55 -4.736 2.266 6.723 1.00 0.00 C ATOM 868 O ALA A 55 -5.325 1.263 7.097 1.00 0.00 O ATOM 869 CB ALA A 55 -2.332 2.528 7.303 1.00 0.00 C ATOM 0 H ALA A 55 -2.482 3.818 5.209 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.124 1.158 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.480 1.856 8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.314 2.421 6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.494 3.557 7.625 1.00 0.00 H new ATOM 875 N SER A 56 -5.281 3.479 6.748 1.00 0.00 N ATOM 876 CA SER A 56 -6.625 3.676 7.213 1.00 0.00 C ATOM 877 C SER A 56 -7.631 3.014 6.272 1.00 0.00 C ATOM 878 O SER A 56 -8.598 2.417 6.725 1.00 0.00 O ATOM 879 CB SER A 56 -6.922 5.171 7.421 1.00 0.00 C ATOM 880 OG SER A 56 -6.789 5.911 6.226 1.00 0.00 O ATOM 0 H SER A 56 -4.804 4.330 6.450 1.00 0.00 H new ATOM 0 HA SER A 56 -6.727 3.191 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.934 5.288 7.809 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.244 5.574 8.173 1.00 0.00 H new ATOM 0 HG SER A 56 -6.413 5.337 5.526 1.00 0.00 H new ATOM 886 N ALA A 57 -7.384 3.098 4.954 1.00 0.00 N ATOM 887 CA ALA A 57 -8.248 2.431 3.976 1.00 0.00 C ATOM 888 C ALA A 57 -8.134 0.922 4.135 1.00 0.00 C ATOM 889 O ALA A 57 -9.127 0.180 4.052 1.00 0.00 O ATOM 890 CB ALA A 57 -7.884 2.855 2.560 1.00 0.00 C ATOM 0 H ALA A 57 -6.603 3.615 4.549 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.282 2.726 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.537 2.349 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.006 3.934 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.848 2.587 2.355 1.00 0.00 H new ATOM 896 N ALA A 58 -6.908 0.477 4.378 1.00 0.00 N ATOM 897 CA ALA A 58 -6.625 -0.919 4.609 1.00 0.00 C ATOM 898 C ALA A 58 -7.383 -1.375 5.814 1.00 0.00 C ATOM 899 O ALA A 58 -8.020 -2.389 5.790 1.00 0.00 O ATOM 900 CB ALA A 58 -5.136 -1.122 4.827 1.00 0.00 C ATOM 0 H ALA A 58 -6.087 1.080 4.419 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.930 -1.501 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.934 -2.179 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.590 -0.788 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.813 -0.544 5.693 1.00 0.00 H new ATOM 906 N TYR A 59 -7.347 -0.566 6.846 1.00 0.00 N ATOM 907 CA TYR A 59 -8.093 -0.812 8.061 1.00 0.00 C ATOM 908 C TYR A 59 -9.575 -0.907 7.765 1.00 0.00 C ATOM 909 O TYR A 59 -10.255 -1.757 8.290 1.00 0.00 O ATOM 910 CB TYR A 59 -7.828 0.304 9.070 1.00 0.00 C ATOM 911 CG TYR A 59 -8.673 0.233 10.317 1.00 0.00 C ATOM 912 CD1 TYR A 59 -8.346 -0.622 11.352 1.00 0.00 C ATOM 913 CD2 TYR A 59 -9.802 1.030 10.455 1.00 0.00 C ATOM 914 CE1 TYR A 59 -9.118 -0.682 12.491 1.00 0.00 C ATOM 915 CE2 TYR A 59 -10.578 0.976 11.588 1.00 0.00 C ATOM 916 CZ TYR A 59 -10.235 0.120 12.603 1.00 0.00 C ATOM 917 OH TYR A 59 -11.014 0.065 13.739 1.00 0.00 O ATOM 0 H TYR A 59 -6.794 0.291 6.868 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.765 -1.761 8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.777 0.275 9.357 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.000 1.264 8.584 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.473 -1.252 11.267 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.075 1.705 9.657 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.850 -1.354 13.293 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.452 1.604 11.678 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.760 0.695 13.655 1.00 0.00 H new ATOM 927 N GLU A 60 -10.053 -0.051 6.896 1.00 0.00 N ATOM 928 CA GLU A 60 -11.467 0.008 6.591 1.00 0.00 C ATOM 929 C GLU A 60 -11.985 -1.337 6.086 1.00 0.00 C ATOM 930 O GLU A 60 -13.059 -1.770 6.478 1.00 0.00 O ATOM 931 CB GLU A 60 -11.736 1.078 5.533 1.00 0.00 C ATOM 932 CG GLU A 60 -11.511 2.495 6.015 1.00 0.00 C ATOM 933 CD GLU A 60 -12.387 2.849 7.197 1.00 0.00 C ATOM 934 OE1 GLU A 60 -13.609 2.607 7.126 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.863 3.387 8.199 1.00 0.00 O ATOM 0 H GLU A 60 -9.482 0.620 6.383 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.991 0.259 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.093 0.892 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.766 0.982 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.464 2.620 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.709 3.189 5.198 1.00 0.00 H new ATOM 942 N ILE A 61 -11.225 -1.996 5.229 1.00 0.00 N ATOM 943 CA ILE A 61 -11.648 -3.292 4.699 1.00 0.00 C ATOM 944 C ILE A 61 -11.093 -4.447 5.516 1.00 0.00 C ATOM 945 O ILE A 61 -11.809 -5.362 5.884 1.00 0.00 O ATOM 946 CB ILE A 61 -11.266 -3.440 3.210 1.00 0.00 C ATOM 947 CG1 ILE A 61 -9.792 -3.067 2.987 1.00 0.00 C ATOM 948 CG2 ILE A 61 -12.182 -2.588 2.338 1.00 0.00 C ATOM 949 CD1 ILE A 61 -9.317 -3.262 1.569 1.00 0.00 C ATOM 0 H ILE A 61 -10.323 -1.666 4.886 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.735 -3.328 4.776 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.395 -4.483 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.645 -2.024 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.171 -3.667 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.899 -2.704 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.215 -2.909 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.088 -1.541 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.268 -2.977 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.429 -4.309 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.910 -2.641 0.898 1.00 0.00 H new ATOM 961 N LEU A 62 -9.823 -4.379 5.801 1.00 0.00 N ATOM 962 CA LEU A 62 -9.130 -5.424 6.525 1.00 0.00 C ATOM 963 C LEU A 62 -9.666 -5.617 7.953 1.00 0.00 C ATOM 964 O LEU A 62 -9.769 -6.748 8.421 1.00 0.00 O ATOM 965 CB LEU A 62 -7.635 -5.139 6.531 1.00 0.00 C ATOM 966 CG LEU A 62 -6.958 -5.119 5.151 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.470 -4.871 5.285 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.227 -6.398 4.382 1.00 0.00 C ATOM 0 H LEU A 62 -9.229 -3.593 5.538 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.316 -6.364 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.469 -4.175 7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.142 -5.891 7.147 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.391 -4.296 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.012 -4.861 4.296 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.304 -3.910 5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.022 -5.663 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.734 -6.350 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.840 -7.248 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.301 -6.517 4.238 1.00 0.00 H new ATOM 980 N SER A 63 -10.015 -4.525 8.637 1.00 0.00 N ATOM 981 CA SER A 63 -10.548 -4.617 10.004 1.00 0.00 C ATOM 982 C SER A 63 -11.870 -5.383 10.044 1.00 0.00 C ATOM 983 O SER A 63 -12.318 -5.806 11.121 1.00 0.00 O ATOM 984 CB SER A 63 -10.723 -3.224 10.620 1.00 0.00 C ATOM 985 OG SER A 63 -11.166 -3.305 11.967 1.00 0.00 O ATOM 0 H SER A 63 -9.940 -3.575 8.274 1.00 0.00 H new ATOM 0 HA SER A 63 -9.820 -5.172 10.596 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.777 -2.685 10.578 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.442 -2.652 10.033 1.00 0.00 H new ATOM 0 HG SER A 63 -10.728 -2.607 12.498 1.00 0.00 H new ATOM 991 N ASP A 64 -12.482 -5.570 8.888 1.00 0.00 N ATOM 992 CA ASP A 64 -13.703 -6.334 8.796 1.00 0.00 C ATOM 993 C ASP A 64 -13.378 -7.651 8.139 1.00 0.00 C ATOM 994 O ASP A 64 -13.053 -7.687 6.981 1.00 0.00 O ATOM 995 CB ASP A 64 -14.798 -5.601 8.005 1.00 0.00 C ATOM 996 CG ASP A 64 -15.345 -4.382 8.710 1.00 0.00 C ATOM 997 OD1 ASP A 64 -15.814 -4.515 9.866 1.00 0.00 O ATOM 998 OD2 ASP A 64 -15.343 -3.292 8.110 1.00 0.00 O ATOM 0 H ASP A 64 -12.147 -5.199 7.999 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.098 -6.484 9.801 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.395 -5.300 7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.616 -6.293 7.808 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.466 -8.742 8.882 1.00 0.00 N ATOM 1004 CA PRO A 65 -13.088 -10.095 8.411 1.00 0.00 C ATOM 1005 C PRO A 65 -13.764 -10.486 7.102 1.00 0.00 C ATOM 1006 O PRO A 65 -13.204 -11.241 6.300 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.572 -10.992 9.540 1.00 0.00 C ATOM 1008 CG PRO A 65 -13.528 -10.116 10.738 1.00 0.00 C ATOM 1009 CD PRO A 65 -13.931 -8.759 10.263 1.00 0.00 C ATOM 0 HA PRO A 65 -12.021 -10.165 8.200 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.580 -11.361 9.352 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.930 -11.865 9.660 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.206 -10.477 11.512 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.529 -10.098 11.173 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.009 -8.613 10.327 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.467 -7.970 10.855 1.00 0.00 H new ATOM 1017 N GLU A 66 -14.930 -9.939 6.866 1.00 0.00 N ATOM 1018 CA GLU A 66 -15.668 -10.286 5.680 1.00 0.00 C ATOM 1019 C GLU A 66 -15.228 -9.428 4.520 1.00 0.00 C ATOM 1020 O GLU A 66 -15.222 -9.868 3.380 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.170 -10.209 5.909 1.00 0.00 C ATOM 1022 CG GLU A 66 -17.663 -11.218 6.936 1.00 0.00 C ATOM 1023 CD GLU A 66 -17.269 -12.639 6.581 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -17.587 -13.087 5.461 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -16.632 -13.313 7.418 1.00 0.00 O ATOM 0 H GLU A 66 -15.385 -9.258 7.474 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.447 -11.324 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.431 -9.204 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.686 -10.378 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.257 -10.964 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.748 -11.153 7.014 1.00 0.00 H new ATOM 1032 N LYS A 67 -14.789 -8.221 4.823 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.308 -7.308 3.827 1.00 0.00 C ATOM 1034 C LYS A 67 -12.879 -7.673 3.512 1.00 0.00 C ATOM 1035 O LYS A 67 -12.375 -7.444 2.421 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.367 -5.897 4.392 1.00 0.00 C ATOM 1037 CG LYS A 67 -15.771 -5.363 4.641 1.00 0.00 C ATOM 1038 CD LYS A 67 -16.522 -5.112 3.343 1.00 0.00 C ATOM 1039 CE LYS A 67 -17.883 -4.487 3.612 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.634 -4.210 2.361 1.00 0.00 N ATOM 0 H LYS A 67 -14.760 -7.853 5.774 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.913 -7.360 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.814 -5.874 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.855 -5.224 3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.327 -6.075 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.711 -4.436 5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.936 -4.454 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.649 -6.051 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.468 -5.155 4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.750 -3.558 4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.554 -3.785 2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.090 -3.552 1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.785 -5.099 1.843 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.246 -8.256 4.502 1.00 0.00 N ATOM 1055 CA ARG A 68 -10.885 -8.685 4.435 1.00 0.00 C ATOM 1056 C ARG A 68 -10.783 -9.872 3.498 1.00 0.00 C ATOM 1057 O ARG A 68 -9.838 -9.980 2.725 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.408 -9.078 5.835 1.00 0.00 C ATOM 1059 CG ARG A 68 -8.904 -8.990 6.026 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.268 -10.355 6.242 1.00 0.00 C ATOM 1061 NE ARG A 68 -8.439 -11.240 5.088 1.00 0.00 N ATOM 1062 CZ ARG A 68 -8.096 -12.528 5.077 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -7.493 -13.067 6.130 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -8.335 -13.267 4.005 1.00 0.00 N ATOM 0 H ARG A 68 -12.686 -8.447 5.402 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.258 -7.876 4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.895 -8.433 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.731 -10.098 6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.456 -8.517 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.685 -8.351 6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.205 -10.229 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.708 -10.822 7.123 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.846 -10.846 4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.291 -12.495 6.950 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.232 -14.053 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.781 -12.851 3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.073 -14.253 3.996 1.00 0.00 H new ATOM 1078 N ASP A 69 -11.759 -10.780 3.593 1.00 0.00 N ATOM 1079 CA ASP A 69 -11.802 -11.947 2.718 1.00 0.00 C ATOM 1080 C ASP A 69 -12.118 -11.509 1.318 1.00 0.00 C ATOM 1081 O ASP A 69 -11.544 -12.000 0.354 1.00 0.00 O ATOM 1082 CB ASP A 69 -12.828 -12.972 3.185 1.00 0.00 C ATOM 1083 CG ASP A 69 -12.788 -14.229 2.334 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -11.810 -15.004 2.452 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -13.724 -14.448 1.544 1.00 0.00 O ATOM 0 H ASP A 69 -12.525 -10.727 4.265 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.824 -12.427 2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.637 -13.231 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.826 -12.535 3.143 1.00 0.00 H new ATOM 1090 N ILE A 70 -13.025 -10.548 1.227 1.00 0.00 N ATOM 1091 CA ILE A 70 -13.415 -9.973 -0.042 1.00 0.00 C ATOM 1092 C ILE A 70 -12.199 -9.333 -0.701 1.00 0.00 C ATOM 1093 O ILE A 70 -11.906 -9.580 -1.878 1.00 0.00 O ATOM 1094 CB ILE A 70 -14.532 -8.920 0.164 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -15.864 -9.594 0.534 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -14.696 -8.017 -1.056 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -16.416 -10.507 -0.542 1.00 0.00 C ATOM 0 H ILE A 70 -13.508 -10.149 2.032 1.00 0.00 H new ATOM 0 HA ILE A 70 -13.803 -10.760 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.228 -8.286 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -15.725 -10.171 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -16.601 -8.821 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -15.489 -7.293 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -13.761 -7.490 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -14.954 -8.622 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -17.356 -10.942 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -16.590 -9.933 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -15.700 -11.303 -0.746 1.00 0.00 H new ATOM 1109 N TYR A 71 -11.463 -8.548 0.081 1.00 0.00 N ATOM 1110 CA TYR A 71 -10.236 -7.932 -0.398 1.00 0.00 C ATOM 1111 C TYR A 71 -9.232 -8.992 -0.823 1.00 0.00 C ATOM 1112 O TYR A 71 -8.613 -8.877 -1.857 1.00 0.00 O ATOM 1113 CB TYR A 71 -9.617 -7.012 0.655 1.00 0.00 C ATOM 1114 CG TYR A 71 -8.262 -6.479 0.242 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -8.144 -5.477 -0.713 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -7.100 -6.996 0.791 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -6.906 -5.012 -1.106 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -5.863 -6.533 0.408 1.00 0.00 C ATOM 1119 CZ TYR A 71 -5.768 -5.545 -0.537 1.00 0.00 C ATOM 1120 OH TYR A 71 -4.527 -5.103 -0.934 1.00 0.00 O ATOM 0 H TYR A 71 -11.698 -8.325 1.048 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.495 -7.323 -1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.290 -6.175 0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.518 -7.557 1.594 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -9.035 -5.056 -1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.167 -7.777 1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.828 -4.236 -1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.969 -6.947 0.851 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.588 -4.167 -1.217 1.00 0.00 H new