USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 578 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 11 TYR OH : rot 180:sc= -0.548 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0708 K(o=-0.071,f=-1.9!) USER MOD Single : A 18 LYS NZ :NH3+ -114:sc= 0.509 (180deg=0) USER MOD Single : A 30 CYS SG : rot 4:sc= 0.641 USER MOD Single : A 31 ASN : amide:sc= -4.97! C(o=-5!,f=-6.8!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 40 GLN : amide:sc= -3.32! C(o=-3.3!,f=-3.2!) USER MOD Single : A 56 SER OG : rot -66:sc= 1.02 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.767 F(o=-2.3,f=-0.77) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-4.7!) USER MOD Single : A 64 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.2!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 43:sc= 0.11 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0161 K(o=-0.016,f=-0.94) USER MOD Single : A 103 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0911) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.719 4.714 -4.276 1.00 0.00 N ATOM 125 CA TYR A 11 11.231 4.707 -2.908 1.00 0.00 C ATOM 126 C TYR A 11 10.358 5.934 -2.631 1.00 0.00 C ATOM 127 O TYR A 11 10.208 6.800 -3.491 1.00 0.00 O ATOM 128 CB TYR A 11 12.473 4.768 -2.017 1.00 0.00 C ATOM 129 CG TYR A 11 13.333 3.504 -2.061 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.746 2.264 -1.912 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.697 3.603 -2.250 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.555 1.074 -1.954 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.506 2.413 -2.292 1.00 0.00 C ATOM 134 CZ TYR A 11 14.896 1.207 -2.142 1.00 0.00 C ATOM 135 OH TYR A 11 15.660 0.083 -2.181 1.00 0.00 O ATOM 0 HA TYR A 11 10.625 3.820 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.082 5.620 -2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.161 4.947 -0.988 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.679 2.186 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.157 4.573 -2.366 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.108 0.098 -1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.574 2.477 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 11 16.598 0.330 -2.322 1.00 0.00 H new ATOM 145 N LYS A 12 9.806 5.967 -1.427 1.00 0.00 N ATOM 146 CA LYS A 12 8.953 7.073 -1.026 1.00 0.00 C ATOM 147 C LYS A 12 8.066 7.480 -2.204 1.00 0.00 C ATOM 148 O LYS A 12 8.146 8.610 -2.684 1.00 0.00 O ATOM 149 CB LYS A 12 9.793 8.221 -0.462 1.00 0.00 C ATOM 150 CG LYS A 12 9.442 8.489 1.003 1.00 0.00 C ATOM 151 CD LYS A 12 10.156 7.500 1.927 1.00 0.00 C ATOM 152 CE LYS A 12 11.403 8.133 2.548 1.00 0.00 C ATOM 153 NZ LYS A 12 12.036 7.199 3.505 1.00 0.00 N ATOM 0 H LYS A 12 9.933 5.246 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 12 8.289 6.768 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.852 7.977 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.625 9.123 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.724 9.508 1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.364 8.410 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.476 7.178 2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.437 6.609 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.113 8.397 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.133 9.058 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.881 7.644 3.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.362 6.968 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.311 6.327 3.009 1.00 0.00 H new ATOM 167 N GLN A 13 7.240 6.538 -2.635 1.00 0.00 N ATOM 168 CA GLN A 13 6.339 6.785 -3.748 1.00 0.00 C ATOM 169 C GLN A 13 5.002 6.079 -3.515 1.00 0.00 C ATOM 170 O GLN A 13 4.968 4.878 -3.249 1.00 0.00 O ATOM 171 CB GLN A 13 6.968 6.346 -5.071 1.00 0.00 C ATOM 172 CG GLN A 13 5.969 6.474 -6.223 1.00 0.00 C ATOM 173 CD GLN A 13 6.689 6.495 -7.573 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.901 6.608 -7.658 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.878 6.380 -8.620 1.00 0.00 N ATOM 0 H GLN A 13 7.176 5.602 -2.234 1.00 0.00 H new ATOM 0 HA GLN A 13 6.155 7.858 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.848 6.955 -5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.306 5.313 -4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.267 5.641 -6.194 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.386 7.387 -6.104 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.872 6.289 -8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.262 6.383 -9.565 1.00 0.00 H new ATOM 184 N ILE A 14 3.933 6.853 -3.624 1.00 0.00 N ATOM 185 CA ILE A 14 2.597 6.316 -3.429 1.00 0.00 C ATOM 186 C ILE A 14 2.168 5.556 -4.686 1.00 0.00 C ATOM 187 O ILE A 14 2.248 6.086 -5.793 1.00 0.00 O ATOM 188 CB ILE A 14 1.627 7.428 -3.022 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.236 8.317 -1.936 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.276 6.848 -2.597 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.038 7.703 -0.549 1.00 0.00 C ATOM 0 H ILE A 14 3.965 7.848 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 14 2.591 5.601 -2.606 1.00 0.00 H new ATOM 0 HB ILE A 14 1.447 8.060 -3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.300 8.454 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.776 9.305 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.395 7.659 -2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.159 6.292 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.418 6.180 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.480 8.355 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.972 7.589 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.520 6.726 -0.511 1.00 0.00 H new ATOM 203 N VAL A 15 1.724 4.326 -4.472 1.00 0.00 N ATOM 204 CA VAL A 15 1.283 3.488 -5.574 1.00 0.00 C ATOM 205 C VAL A 15 0.205 2.524 -5.076 1.00 0.00 C ATOM 206 O VAL A 15 0.037 2.343 -3.870 1.00 0.00 O ATOM 207 CB VAL A 15 2.483 2.772 -6.198 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.244 3.701 -7.145 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.410 2.210 -5.118 1.00 0.00 C ATOM 0 H VAL A 15 1.660 3.890 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 15 0.837 4.095 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 15 2.105 1.934 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.092 3.167 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.579 4.030 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.604 4.569 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.254 1.706 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.776 3.024 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.861 1.498 -4.502 1.00 0.00 H new ATOM 219 N TRP A 16 -0.499 1.931 -6.028 1.00 0.00 N ATOM 220 CA TRP A 16 -1.557 0.990 -5.702 1.00 0.00 C ATOM 221 C TRP A 16 -0.952 -0.415 -5.684 1.00 0.00 C ATOM 222 O TRP A 16 0.089 -0.654 -6.294 1.00 0.00 O ATOM 223 CB TRP A 16 -2.730 1.124 -6.675 1.00 0.00 C ATOM 224 CG TRP A 16 -3.542 2.408 -6.498 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.374 3.583 -7.121 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.664 2.601 -5.611 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.301 4.515 -6.702 1.00 0.00 N ATOM 228 CE2 TRP A 16 -5.111 3.899 -5.754 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.280 1.708 -4.717 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -6.192 4.421 -5.035 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.360 2.246 -4.005 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.822 3.550 -4.138 1.00 0.00 C ATOM 0 H TRP A 16 -0.358 2.084 -7.026 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.971 1.203 -4.717 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.348 1.085 -7.695 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.392 0.267 -6.550 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.609 3.776 -7.858 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.378 5.479 -7.028 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -4.947 0.689 -4.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.523 5.441 -5.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.869 1.602 -3.303 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.663 3.890 -3.552 1.00 0.00 H new ATOM 243 N VAL A 17 -1.631 -1.309 -4.980 1.00 0.00 N ATOM 244 CA VAL A 17 -1.173 -2.684 -4.875 1.00 0.00 C ATOM 245 C VAL A 17 -2.208 -3.611 -5.515 1.00 0.00 C ATOM 246 O VAL A 17 -3.410 -3.373 -5.410 1.00 0.00 O ATOM 247 CB VAL A 17 -0.884 -3.029 -3.413 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.182 -3.153 -2.612 1.00 0.00 C ATOM 249 CG2 VAL A 17 -0.049 -4.307 -3.306 1.00 0.00 C ATOM 0 H VAL A 17 -2.495 -1.108 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.237 -2.818 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.303 -2.212 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.948 -3.399 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.723 -2.207 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.801 -3.941 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.142 -4.530 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.593 -5.136 -3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.899 -4.167 -3.826 1.00 0.00 H new ATOM 259 N LYS A 18 -1.703 -4.650 -6.165 1.00 0.00 N ATOM 260 CA LYS A 18 -2.568 -5.614 -6.822 1.00 0.00 C ATOM 261 C LYS A 18 -2.799 -6.805 -5.889 1.00 0.00 C ATOM 262 O LYS A 18 -1.852 -7.487 -5.502 1.00 0.00 O ATOM 263 CB LYS A 18 -1.997 -6.005 -8.187 1.00 0.00 C ATOM 264 CG LYS A 18 -2.878 -7.052 -8.870 1.00 0.00 C ATOM 265 CD LYS A 18 -4.089 -6.399 -9.538 1.00 0.00 C ATOM 266 CE LYS A 18 -4.921 -7.433 -10.299 1.00 0.00 C ATOM 267 NZ LYS A 18 -5.883 -6.763 -11.201 1.00 0.00 N ATOM 0 H LYS A 18 -0.705 -4.845 -6.250 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.544 -5.173 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.920 -5.121 -8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.988 -6.398 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.295 -7.593 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.214 -7.784 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.708 -5.914 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.754 -5.621 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.264 -8.083 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.457 -8.068 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.853 -6.953 -10.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.710 -5.737 -11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.763 -7.126 -12.168 1.00 0.00 H new ATOM 366 N TRP A 24 -7.954 -3.173 -5.494 1.00 0.00 N ATOM 367 CA TRP A 24 -6.718 -2.411 -5.449 1.00 0.00 C ATOM 368 C TRP A 24 -6.649 -1.701 -4.096 1.00 0.00 C ATOM 369 O TRP A 24 -7.640 -1.136 -3.635 1.00 0.00 O ATOM 370 CB TRP A 24 -6.625 -1.448 -6.635 1.00 0.00 C ATOM 371 CG TRP A 24 -6.577 -2.142 -7.998 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.606 -2.578 -8.738 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.394 -2.463 -8.758 1.00 0.00 C ATOM 374 NE1 TRP A 24 -7.173 -3.155 -9.915 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.785 -3.083 -9.927 1.00 0.00 C ATOM 376 CE3 TRP A 24 -4.037 -2.238 -8.467 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.881 -3.528 -10.899 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -3.145 -2.689 -9.448 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.524 -3.315 -10.631 1.00 0.00 C ATOM 0 HA TRP A 24 -5.855 -3.070 -5.540 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.482 -0.775 -6.611 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.733 -0.832 -6.521 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.643 -2.489 -8.450 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.763 -3.560 -10.642 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.708 -1.755 -7.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.213 -4.010 -11.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.090 -2.540 -9.274 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.774 -3.635 -11.339 1.00 0.00 H new ATOM 390 N TRP A 25 -5.468 -1.752 -3.497 1.00 0.00 N ATOM 391 CA TRP A 25 -5.257 -1.121 -2.205 1.00 0.00 C ATOM 392 C TRP A 25 -4.080 -0.152 -2.340 1.00 0.00 C ATOM 393 O TRP A 25 -3.100 -0.451 -3.020 1.00 0.00 O ATOM 394 CB TRP A 25 -5.046 -2.169 -1.110 1.00 0.00 C ATOM 395 CG TRP A 25 -5.058 -1.597 0.309 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.039 -1.051 0.987 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.190 -1.537 1.202 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.430 -0.645 2.247 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.780 -0.950 2.381 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.517 -1.964 1.019 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.634 -0.737 3.470 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.359 -1.744 2.116 1.00 0.00 C ATOM 403 CH2 TRP A 25 -7.961 -1.154 3.310 1.00 0.00 C ATOM 0 H TRP A 25 -4.648 -2.220 -3.882 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.140 -0.558 -1.902 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.825 -2.927 -1.192 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.094 -2.671 -1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.038 -0.942 0.597 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.838 -0.203 2.950 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.860 -2.425 0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.288 -0.276 4.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.390 -2.054 2.028 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.672 -1.018 4.111 1.00 0.00 H new ATOM 414 N PRO A 26 -4.220 1.020 -1.663 1.00 0.00 N ATOM 415 CA PRO A 26 -3.180 2.034 -1.700 1.00 0.00 C ATOM 416 C PRO A 26 -1.990 1.632 -0.827 1.00 0.00 C ATOM 417 O PRO A 26 -2.168 1.046 0.240 1.00 0.00 O ATOM 418 CB PRO A 26 -3.859 3.310 -1.228 1.00 0.00 C ATOM 419 CG PRO A 26 -5.120 2.868 -0.505 1.00 0.00 C ATOM 420 CD PRO A 26 -5.367 1.408 -0.847 1.00 0.00 C ATOM 0 HA PRO A 26 -2.758 2.167 -2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.207 3.877 -0.564 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.099 3.959 -2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -5.006 2.994 0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.969 3.480 -0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.438 0.797 0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.302 1.282 -1.393 1.00 0.00 H new ATOM 428 N ALA A 27 -0.802 1.963 -1.313 1.00 0.00 N ATOM 429 CA ALA A 27 0.417 1.643 -0.590 1.00 0.00 C ATOM 430 C ALA A 27 1.541 2.569 -1.060 1.00 0.00 C ATOM 431 O ALA A 27 1.440 3.185 -2.120 1.00 0.00 O ATOM 432 CB ALA A 27 0.757 0.165 -0.791 1.00 0.00 C ATOM 0 H ALA A 27 -0.658 2.449 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 27 0.282 1.804 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.672 -0.075 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.060 -0.451 -0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.902 -0.034 -1.853 1.00 0.00 H new ATOM 438 N GLU A 28 2.586 2.638 -0.249 1.00 0.00 N ATOM 439 CA GLU A 28 3.727 3.478 -0.568 1.00 0.00 C ATOM 440 C GLU A 28 5.022 2.666 -0.494 1.00 0.00 C ATOM 441 O GLU A 28 5.282 1.997 0.505 1.00 0.00 O ATOM 442 CB GLU A 28 3.789 4.695 0.358 1.00 0.00 C ATOM 443 CG GLU A 28 5.188 5.314 0.357 1.00 0.00 C ATOM 444 CD GLU A 28 5.939 4.974 1.647 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.257 4.867 2.689 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.177 4.829 1.561 1.00 0.00 O ATOM 0 H GLU A 28 2.666 2.125 0.629 1.00 0.00 H new ATOM 0 HA GLU A 28 3.609 3.845 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.059 5.438 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.519 4.399 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.750 4.949 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.111 6.396 0.251 1.00 0.00 H new ATOM 453 N ILE A 29 5.799 2.752 -1.564 1.00 0.00 N ATOM 454 CA ILE A 29 7.060 2.033 -1.632 1.00 0.00 C ATOM 455 C ILE A 29 7.986 2.529 -0.520 1.00 0.00 C ATOM 456 O ILE A 29 8.214 3.731 -0.388 1.00 0.00 O ATOM 457 CB ILE A 29 7.665 2.145 -3.033 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.755 1.494 -4.077 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.081 1.566 -3.066 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.256 1.779 -5.494 1.00 0.00 C ATOM 0 H ILE A 29 5.580 3.308 -2.390 1.00 0.00 H new ATOM 0 HA ILE A 29 6.901 0.968 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 29 7.743 3.202 -3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.716 0.417 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.738 1.871 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.488 1.658 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.714 2.113 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.051 0.514 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.592 1.305 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.270 2.855 -5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.263 1.380 -5.611 1.00 0.00 H new ATOM 472 N CYS A 30 8.495 1.580 0.251 1.00 0.00 N ATOM 473 CA CYS A 30 9.391 1.906 1.347 1.00 0.00 C ATOM 474 C CYS A 30 10.807 1.482 0.952 1.00 0.00 C ATOM 475 O CYS A 30 11.008 0.888 -0.106 1.00 0.00 O ATOM 476 CB CYS A 30 8.944 1.253 2.657 1.00 0.00 C ATOM 477 SG CYS A 30 7.845 2.388 3.579 1.00 0.00 S ATOM 0 H CYS A 30 8.304 0.584 0.138 1.00 0.00 H new ATOM 0 HA CYS A 30 9.372 2.981 1.528 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.423 0.319 2.448 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.814 1.003 3.264 1.00 0.00 H new ATOM 0 HG CYS A 30 7.638 3.460 2.873 1.00 0.00 H new ATOM 483 N ASN A 31 11.751 1.804 1.824 1.00 0.00 N ATOM 484 CA ASN A 31 13.143 1.464 1.579 1.00 0.00 C ATOM 485 C ASN A 31 13.522 0.247 2.425 1.00 0.00 C ATOM 486 O ASN A 31 12.914 -0.005 3.464 1.00 0.00 O ATOM 487 CB ASN A 31 14.068 2.618 1.969 1.00 0.00 C ATOM 488 CG ASN A 31 13.785 3.859 1.120 1.00 0.00 C ATOM 489 OD1 ASN A 31 12.678 4.367 1.067 1.00 0.00 O ATOM 490 ND2 ASN A 31 14.846 4.317 0.461 1.00 0.00 N ATOM 0 H ASN A 31 11.580 2.296 2.701 1.00 0.00 H new ATOM 0 HA ASN A 31 13.257 1.254 0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.933 2.856 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.107 2.315 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.760 5.142 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.745 3.843 0.550 1.00 0.00 H new ATOM 497 N PRO A 32 14.552 -0.494 1.936 1.00 0.00 N ATOM 498 CA PRO A 32 15.020 -1.678 2.636 1.00 0.00 C ATOM 499 C PRO A 32 15.835 -1.298 3.874 1.00 0.00 C ATOM 500 O PRO A 32 16.023 -2.115 4.773 1.00 0.00 O ATOM 501 CB PRO A 32 15.829 -2.450 1.606 1.00 0.00 C ATOM 502 CG PRO A 32 16.173 -1.451 0.513 1.00 0.00 C ATOM 503 CD PRO A 32 15.296 -0.225 0.709 1.00 0.00 C ATOM 0 HA PRO A 32 14.203 -2.289 3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.732 -2.868 2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.255 -3.286 1.205 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.227 -1.178 0.563 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.003 -1.888 -0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.896 0.681 0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.625 -0.079 -0.137 1.00 0.00 H new ATOM 511 N ARG A 33 16.299 -0.057 3.879 1.00 0.00 N ATOM 512 CA ARG A 33 17.090 0.442 4.991 1.00 0.00 C ATOM 513 C ARG A 33 16.179 1.052 6.058 1.00 0.00 C ATOM 514 O ARG A 33 16.605 1.270 7.192 1.00 0.00 O ATOM 515 CB ARG A 33 18.094 1.497 4.523 1.00 0.00 C ATOM 516 CG ARG A 33 19.026 0.929 3.451 1.00 0.00 C ATOM 517 CD ARG A 33 20.309 0.376 4.076 1.00 0.00 C ATOM 518 NE ARG A 33 21.179 1.489 4.515 1.00 0.00 N ATOM 519 CZ ARG A 33 22.129 1.376 5.453 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.336 0.198 6.058 1.00 0.00 N ATOM 521 NH2 ARG A 33 22.872 2.440 5.787 1.00 0.00 N ATOM 0 H ARG A 33 16.142 0.618 3.130 1.00 0.00 H new ATOM 0 HA ARG A 33 17.637 -0.401 5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.561 2.361 4.126 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.681 1.847 5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.515 0.138 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.275 1.708 2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.064 -0.262 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.837 -0.246 3.353 1.00 0.00 H new ATOM 0 HE ARG A 33 21.047 2.400 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.770 -0.612 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.059 0.112 6.772 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.714 3.337 5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 33 23.595 2.353 6.501 1.00 0.00 H new ATOM 535 N SER A 34 14.943 1.312 5.658 1.00 0.00 N ATOM 536 CA SER A 34 13.969 1.893 6.566 1.00 0.00 C ATOM 537 C SER A 34 13.266 0.788 7.357 1.00 0.00 C ATOM 538 O SER A 34 13.466 0.660 8.564 1.00 0.00 O ATOM 539 CB SER A 34 12.943 2.737 5.807 1.00 0.00 C ATOM 540 OG SER A 34 11.748 2.930 6.559 1.00 0.00 O ATOM 0 H SER A 34 14.594 1.131 4.717 1.00 0.00 H new ATOM 0 HA SER A 34 14.497 2.548 7.259 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.379 3.706 5.565 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.702 2.251 4.862 1.00 0.00 H new ATOM 0 HG SER A 34 11.120 3.475 6.041 1.00 0.00 H new ATOM 546 N VAL A 35 12.458 0.017 6.645 1.00 0.00 N ATOM 547 CA VAL A 35 11.724 -1.073 7.265 1.00 0.00 C ATOM 548 C VAL A 35 12.641 -1.804 8.248 1.00 0.00 C ATOM 549 O VAL A 35 13.863 -1.732 8.134 1.00 0.00 O ATOM 550 CB VAL A 35 11.146 -1.994 6.189 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.357 -1.195 5.150 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.249 -2.820 5.523 1.00 0.00 C ATOM 0 H VAL A 35 12.295 0.125 5.644 1.00 0.00 H new ATOM 0 HA VAL A 35 10.877 -0.689 7.833 1.00 0.00 H new ATOM 0 HB VAL A 35 10.457 -2.685 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.957 -1.873 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.536 -0.672 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.015 -0.470 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.811 -3.466 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.974 -2.152 5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.749 -3.432 6.274 1.00 0.00 H new ATOM 562 N PRO A 36 11.998 -2.510 9.217 1.00 0.00 N ATOM 563 CA PRO A 36 12.742 -3.254 10.219 1.00 0.00 C ATOM 564 C PRO A 36 13.329 -4.536 9.627 1.00 0.00 C ATOM 565 O PRO A 36 12.803 -5.072 8.653 1.00 0.00 O ATOM 566 CB PRO A 36 11.743 -3.518 11.334 1.00 0.00 C ATOM 567 CG PRO A 36 10.368 -3.323 10.717 1.00 0.00 C ATOM 568 CD PRO A 36 10.551 -2.618 9.383 1.00 0.00 C ATOM 0 HA PRO A 36 13.605 -2.705 10.596 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.855 -4.528 11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.898 -2.833 12.167 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.873 -4.284 10.576 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.734 -2.732 11.377 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.100 -3.186 8.569 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.078 -1.636 9.386 1.00 0.00 H new ATOM 576 N LEU A 37 14.413 -4.991 10.240 1.00 0.00 N ATOM 577 CA LEU A 37 15.078 -6.200 9.785 1.00 0.00 C ATOM 578 C LEU A 37 14.031 -7.285 9.523 1.00 0.00 C ATOM 579 O LEU A 37 14.148 -8.047 8.564 1.00 0.00 O ATOM 580 CB LEU A 37 16.163 -6.620 10.778 1.00 0.00 C ATOM 581 CG LEU A 37 17.607 -6.484 10.290 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.862 -7.377 9.075 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.955 -5.020 10.010 1.00 0.00 C ATOM 0 H LEU A 37 14.847 -4.544 11.048 1.00 0.00 H new ATOM 0 HA LEU A 37 15.594 -6.019 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 37 16.049 -6.025 11.684 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.991 -7.660 11.056 1.00 0.00 H new ATOM 0 HG LEU A 37 18.270 -6.826 11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.896 -7.261 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.681 -8.418 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.191 -7.090 8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.987 -4.951 9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.288 -4.628 9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.839 -4.437 10.924 1.00 0.00 H new ATOM 595 N ASN A 38 13.031 -7.319 10.391 1.00 0.00 N ATOM 596 CA ASN A 38 11.965 -8.298 10.266 1.00 0.00 C ATOM 597 C ASN A 38 11.561 -8.421 8.795 1.00 0.00 C ATOM 598 O ASN A 38 11.534 -9.520 8.245 1.00 0.00 O ATOM 599 CB ASN A 38 10.729 -7.871 11.061 1.00 0.00 C ATOM 600 CG ASN A 38 9.851 -9.078 11.400 1.00 0.00 C ATOM 601 OD1 ASN A 38 10.029 -9.745 12.406 1.00 0.00 O ATOM 602 ND2 ASN A 38 8.896 -9.320 10.506 1.00 0.00 N ATOM 0 H ASN A 38 12.936 -6.684 11.184 1.00 0.00 H new ATOM 0 HA ASN A 38 12.333 -9.248 10.653 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.038 -7.372 11.980 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.153 -7.148 10.484 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.257 -10.104 10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.802 -8.722 9.685 1.00 0.00 H new ATOM 609 N ILE A 39 11.259 -7.276 8.200 1.00 0.00 N ATOM 610 CA ILE A 39 10.858 -7.241 6.804 1.00 0.00 C ATOM 611 C ILE A 39 12.049 -7.633 5.926 1.00 0.00 C ATOM 612 O ILE A 39 11.963 -8.577 5.143 1.00 0.00 O ATOM 613 CB ILE A 39 10.257 -5.879 6.453 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.179 -5.478 7.462 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.730 -5.866 5.016 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.259 -6.659 7.780 1.00 0.00 C ATOM 0 H ILE A 39 11.284 -6.366 8.659 1.00 0.00 H new ATOM 0 HA ILE A 39 10.069 -7.969 6.616 1.00 0.00 H new ATOM 0 HB ILE A 39 11.048 -5.131 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.649 -5.121 8.379 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.591 -4.652 7.062 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.308 -4.886 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.548 -6.075 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.958 -6.628 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.502 -6.347 8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.773 -6.998 6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.846 -7.474 8.202 1.00 0.00 H new ATOM 628 N GLN A 40 13.131 -6.886 6.086 1.00 0.00 N ATOM 629 CA GLN A 40 14.338 -7.143 5.318 1.00 0.00 C ATOM 630 C GLN A 40 14.566 -8.649 5.176 1.00 0.00 C ATOM 631 O GLN A 40 14.705 -9.157 4.064 1.00 0.00 O ATOM 632 CB GLN A 40 15.550 -6.464 5.958 1.00 0.00 C ATOM 633 CG GLN A 40 15.412 -4.940 5.913 1.00 0.00 C ATOM 634 CD GLN A 40 16.773 -4.261 6.079 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.768 -4.654 5.492 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.762 -3.223 6.911 1.00 0.00 N ATOM 0 H GLN A 40 13.198 -6.103 6.736 1.00 0.00 H new ATOM 0 HA GLN A 40 14.209 -6.719 4.322 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.652 -6.793 6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.458 -6.766 5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.965 -4.640 4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.738 -4.609 6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.894 -2.947 7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.621 -2.704 7.090 1.00 0.00 H new ATOM 645 N GLY A 41 14.596 -9.322 6.317 1.00 0.00 N ATOM 646 CA GLY A 41 14.804 -10.759 6.334 1.00 0.00 C ATOM 647 C GLY A 41 14.071 -11.433 5.172 1.00 0.00 C ATOM 648 O GLY A 41 14.568 -12.400 4.597 1.00 0.00 O ATOM 0 H GLY A 41 14.480 -8.897 7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.870 -10.976 6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.450 -11.170 7.279 1.00 0.00 H new ATOM 652 N LEU A 42 12.901 -10.895 4.861 1.00 0.00 N ATOM 653 CA LEU A 42 12.094 -11.432 3.779 1.00 0.00 C ATOM 654 C LEU A 42 12.975 -11.634 2.544 1.00 0.00 C ATOM 655 O LEU A 42 13.582 -10.686 2.048 1.00 0.00 O ATOM 656 CB LEU A 42 10.876 -10.541 3.526 1.00 0.00 C ATOM 657 CG LEU A 42 9.957 -10.305 4.727 1.00 0.00 C ATOM 658 CD1 LEU A 42 9.209 -8.977 4.591 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.003 -11.483 4.927 1.00 0.00 C ATOM 0 H LEU A 42 12.492 -10.092 5.340 1.00 0.00 H new ATOM 0 HA LEU A 42 11.695 -12.409 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.227 -9.574 3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.286 -10.985 2.724 1.00 0.00 H new ATOM 0 HG LEU A 42 10.575 -10.237 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.563 -8.833 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.927 -8.159 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.603 -8.992 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.361 -11.290 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.388 -11.608 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.579 -12.392 5.101 1.00 0.00 H new ATOM 748 N ASP A 48 12.504 -6.345 -6.676 1.00 0.00 N ATOM 749 CA ASP A 48 11.430 -6.288 -5.699 1.00 0.00 C ATOM 750 C ASP A 48 11.853 -5.390 -4.534 1.00 0.00 C ATOM 751 O ASP A 48 12.959 -5.525 -4.012 1.00 0.00 O ATOM 752 CB ASP A 48 11.122 -7.677 -5.138 1.00 0.00 C ATOM 753 CG ASP A 48 11.044 -8.794 -6.181 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.790 -8.455 -7.357 1.00 0.00 O ATOM 755 OD2 ASP A 48 11.241 -9.961 -5.779 1.00 0.00 O ATOM 0 HA ASP A 48 10.543 -5.895 -6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.889 -7.935 -4.408 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.174 -7.634 -4.603 1.00 0.00 H new ATOM 760 N PHE A 49 10.950 -4.495 -4.161 1.00 0.00 N ATOM 761 CA PHE A 49 11.216 -3.576 -3.068 1.00 0.00 C ATOM 762 C PHE A 49 10.121 -3.660 -2.003 1.00 0.00 C ATOM 763 O PHE A 49 9.007 -4.099 -2.285 1.00 0.00 O ATOM 764 CB PHE A 49 11.226 -2.166 -3.662 1.00 0.00 C ATOM 765 CG PHE A 49 10.082 -1.894 -4.641 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.809 -1.768 -4.180 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.338 -1.779 -5.971 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.747 -1.516 -5.088 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.276 -1.528 -6.880 1.00 0.00 C ATOM 770 CZ PHE A 49 8.003 -1.402 -6.419 1.00 0.00 C ATOM 0 H PHE A 49 10.034 -4.387 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 49 12.166 -3.825 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.176 -1.441 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.175 -2.006 -4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.606 -1.860 -3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.349 -1.879 -6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.736 -1.415 -4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.479 -1.437 -7.937 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.195 -1.211 -7.110 1.00 0.00 H new ATOM 780 N PRO A 50 10.485 -3.220 -0.768 1.00 0.00 N ATOM 781 CA PRO A 50 9.546 -3.242 0.341 1.00 0.00 C ATOM 782 C PRO A 50 8.515 -2.120 0.207 1.00 0.00 C ATOM 783 O PRO A 50 8.860 -0.992 -0.144 1.00 0.00 O ATOM 784 CB PRO A 50 10.407 -3.112 1.587 1.00 0.00 C ATOM 785 CG PRO A 50 11.742 -2.559 1.116 1.00 0.00 C ATOM 786 CD PRO A 50 11.795 -2.694 -0.397 1.00 0.00 C ATOM 0 HA PRO A 50 8.955 -4.157 0.375 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.943 -2.446 2.314 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.535 -4.078 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.848 -1.515 1.410 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.565 -3.105 1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.985 -1.733 -0.874 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.594 -3.367 -0.707 1.00 0.00 H new ATOM 794 N VAL A 51 7.269 -2.467 0.495 1.00 0.00 N ATOM 795 CA VAL A 51 6.185 -1.503 0.412 1.00 0.00 C ATOM 796 C VAL A 51 5.280 -1.653 1.637 1.00 0.00 C ATOM 797 O VAL A 51 5.038 -2.766 2.102 1.00 0.00 O ATOM 798 CB VAL A 51 5.434 -1.673 -0.910 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.388 -1.558 -2.101 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.674 -3.000 -0.943 1.00 0.00 C ATOM 0 H VAL A 51 6.986 -3.403 0.786 1.00 0.00 H new ATOM 0 HA VAL A 51 6.577 -0.486 0.420 1.00 0.00 H new ATOM 0 HB VAL A 51 4.704 -0.867 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.829 -1.683 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.864 -0.577 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.152 -2.332 -2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.149 -3.095 -1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.378 -3.825 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.953 -3.027 -0.126 1.00 0.00 H new ATOM 810 N PHE A 52 4.804 -0.516 2.124 1.00 0.00 N ATOM 811 CA PHE A 52 3.932 -0.507 3.285 1.00 0.00 C ATOM 812 C PHE A 52 2.468 -0.341 2.870 1.00 0.00 C ATOM 813 O PHE A 52 2.118 0.620 2.188 1.00 0.00 O ATOM 814 CB PHE A 52 4.344 0.689 4.146 1.00 0.00 C ATOM 815 CG PHE A 52 3.409 0.959 5.326 1.00 0.00 C ATOM 816 CD1 PHE A 52 2.342 1.788 5.172 1.00 0.00 C ATOM 817 CD2 PHE A 52 3.644 0.369 6.529 1.00 0.00 C ATOM 818 CE1 PHE A 52 1.473 2.038 6.268 1.00 0.00 C ATOM 819 CE2 PHE A 52 2.776 0.620 7.624 1.00 0.00 C ATOM 820 CZ PHE A 52 1.709 1.449 7.471 1.00 0.00 C ATOM 0 H PHE A 52 5.006 0.405 1.735 1.00 0.00 H new ATOM 0 HA PHE A 52 4.024 -1.449 3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.352 0.520 4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.385 1.579 3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.155 2.256 4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.491 -0.290 6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.625 2.696 6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.963 0.152 8.579 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.049 1.640 8.304 1.00 0.00 H new ATOM 830 N PHE A 53 1.653 -1.293 3.300 1.00 0.00 N ATOM 831 CA PHE A 53 0.236 -1.265 2.981 1.00 0.00 C ATOM 832 C PHE A 53 -0.547 -0.477 4.034 1.00 0.00 C ATOM 833 O PHE A 53 -0.620 -0.885 5.192 1.00 0.00 O ATOM 834 CB PHE A 53 -0.252 -2.715 2.979 1.00 0.00 C ATOM 835 CG PHE A 53 0.147 -3.504 1.730 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.450 -3.554 1.345 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.802 -4.154 1.005 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.820 -4.286 0.186 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.432 -4.886 -0.154 1.00 0.00 C ATOM 840 CZ PHE A 53 0.871 -4.937 -0.539 1.00 0.00 C ATOM 0 H PHE A 53 1.947 -2.089 3.867 1.00 0.00 H new ATOM 0 HA PHE A 53 0.082 -0.783 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.144 -3.222 3.859 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.338 -2.722 3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.203 -3.037 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.837 -4.114 1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.855 -4.326 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.186 -5.402 -0.730 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.152 -5.494 -1.420 1.00 0.00 H new ATOM 850 N PHE A 54 -1.113 0.637 3.594 1.00 0.00 N ATOM 851 CA PHE A 54 -1.888 1.485 4.484 1.00 0.00 C ATOM 852 C PHE A 54 -3.074 0.720 5.076 1.00 0.00 C ATOM 853 O PHE A 54 -3.489 -0.304 4.534 1.00 0.00 O ATOM 854 CB PHE A 54 -2.416 2.650 3.645 1.00 0.00 C ATOM 855 CG PHE A 54 -1.321 3.465 2.954 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.303 3.994 3.685 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.365 3.661 1.609 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.714 4.750 3.044 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.349 4.418 0.967 1.00 0.00 C ATOM 860 CZ PHE A 54 0.669 4.946 1.698 1.00 0.00 C ATOM 0 H PHE A 54 -1.050 0.972 2.633 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.263 1.828 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.097 2.260 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.998 3.312 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.268 3.839 4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.173 3.241 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.523 5.169 3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.385 4.574 -0.101 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.442 5.521 1.210 1.00 0.00 H new ATOM 870 N GLY A 55 -3.585 1.246 6.179 1.00 0.00 N ATOM 871 CA GLY A 55 -4.715 0.626 6.850 1.00 0.00 C ATOM 872 C GLY A 55 -4.282 -0.635 7.600 1.00 0.00 C ATOM 873 O GLY A 55 -4.498 -0.750 8.806 1.00 0.00 O ATOM 0 H GLY A 55 -3.237 2.095 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.161 1.334 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.483 0.373 6.119 1.00 0.00 H new ATOM 877 N SER A 56 -3.678 -1.550 6.856 1.00 0.00 N ATOM 878 CA SER A 56 -3.213 -2.799 7.436 1.00 0.00 C ATOM 879 C SER A 56 -1.890 -2.573 8.171 1.00 0.00 C ATOM 880 O SER A 56 -1.653 -3.160 9.226 1.00 0.00 O ATOM 881 CB SER A 56 -3.047 -3.877 6.364 1.00 0.00 C ATOM 882 OG SER A 56 -3.077 -5.189 6.917 1.00 0.00 O ATOM 0 H SER A 56 -3.500 -1.452 5.857 1.00 0.00 H new ATOM 0 HA SER A 56 -3.963 -3.146 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.841 -3.777 5.624 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.103 -3.726 5.841 1.00 0.00 H new ATOM 0 HG SER A 56 -2.295 -5.319 7.493 1.00 0.00 H new ATOM 888 N HIS A 57 -1.062 -1.721 7.585 1.00 0.00 N ATOM 889 CA HIS A 57 0.231 -1.411 8.171 1.00 0.00 C ATOM 890 C HIS A 57 1.104 -2.667 8.183 1.00 0.00 C ATOM 891 O HIS A 57 1.411 -3.204 9.247 1.00 0.00 O ATOM 892 CB HIS A 57 0.064 -0.791 9.559 1.00 0.00 C ATOM 893 CG HIS A 57 -0.704 0.509 9.563 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.705 0.956 8.752 1.00 0.00 N flip ATOM 895 CD2 HIS A 57 -0.466 1.518 10.481 1.00 0.00 C flip ATOM 896 CE1 HIS A 57 -2.061 2.170 9.153 1.00 0.00 C flip ATOM 897 NE2 HIS A 57 -1.294 2.520 10.225 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.261 -1.236 6.710 1.00 0.00 H new ATOM 0 HA HIS A 57 0.740 -0.664 7.562 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.447 -1.505 10.205 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.050 -0.620 9.990 1.00 0.00 H new ATOM 0 HD2 HIS A 57 0.270 1.492 11.271 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.831 2.780 8.704 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.348 3.399 10.739 1.00 0.00 H new ATOM 905 N ASP A 58 1.478 -3.101 6.989 1.00 0.00 N ATOM 906 CA ASP A 58 2.309 -4.285 6.849 1.00 0.00 C ATOM 907 C ASP A 58 3.230 -4.116 5.639 1.00 0.00 C ATOM 908 O ASP A 58 2.832 -3.542 4.626 1.00 0.00 O ATOM 909 CB ASP A 58 1.455 -5.534 6.623 1.00 0.00 C ATOM 910 CG ASP A 58 0.236 -5.658 7.539 1.00 0.00 C ATOM 911 OD1 ASP A 58 -0.728 -4.897 7.306 1.00 0.00 O ATOM 912 OD2 ASP A 58 0.295 -6.510 8.451 1.00 0.00 O ATOM 0 H ASP A 58 1.221 -2.654 6.109 1.00 0.00 H new ATOM 0 HA ASP A 58 2.885 -4.404 7.767 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.115 -5.541 5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.083 -6.415 6.758 1.00 0.00 H new ATOM 917 N TYR A 59 4.444 -4.627 5.783 1.00 0.00 N ATOM 918 CA TYR A 59 5.425 -4.540 4.715 1.00 0.00 C ATOM 919 C TYR A 59 5.470 -5.838 3.906 1.00 0.00 C ATOM 920 O TYR A 59 5.246 -6.920 4.447 1.00 0.00 O ATOM 921 CB TYR A 59 6.777 -4.332 5.399 1.00 0.00 C ATOM 922 CG TYR A 59 6.817 -3.131 6.345 1.00 0.00 C ATOM 923 CD1 TYR A 59 6.911 -1.852 5.834 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.760 -3.325 7.711 1.00 0.00 C ATOM 925 CE1 TYR A 59 6.949 -0.721 6.725 1.00 0.00 C ATOM 926 CE2 TYR A 59 6.798 -2.194 8.601 1.00 0.00 C ATOM 927 CZ TYR A 59 6.890 -0.948 8.064 1.00 0.00 C ATOM 928 OH TYR A 59 6.926 0.120 8.906 1.00 0.00 O ATOM 0 H TYR A 59 4.771 -5.103 6.624 1.00 0.00 H new ATOM 0 HA TYR A 59 5.175 -3.730 4.029 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.031 -5.232 5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.544 -4.205 4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.956 -1.699 4.766 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.687 -4.325 8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.023 0.285 6.338 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.754 -2.332 9.671 1.00 0.00 H new ATOM 0 HH TYR A 59 6.875 -0.193 9.833 1.00 0.00 H new ATOM 938 N TYR A 60 5.762 -5.688 2.622 1.00 0.00 N ATOM 939 CA TYR A 60 5.840 -6.835 1.733 1.00 0.00 C ATOM 940 C TYR A 60 6.760 -6.546 0.545 1.00 0.00 C ATOM 941 O TYR A 60 6.914 -5.395 0.140 1.00 0.00 O ATOM 942 CB TYR A 60 4.418 -7.066 1.218 1.00 0.00 C ATOM 943 CG TYR A 60 3.420 -7.467 2.305 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.623 -8.619 3.037 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.316 -6.677 2.554 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.683 -8.997 4.061 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.376 -7.055 3.577 1.00 0.00 C ATOM 948 CZ TYR A 60 1.606 -8.196 4.280 1.00 0.00 C ATOM 949 OH TYR A 60 0.718 -8.553 5.247 1.00 0.00 O ATOM 0 H TYR A 60 5.947 -4.790 2.176 1.00 0.00 H new ATOM 0 HA TYR A 60 6.240 -7.702 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.066 -6.155 0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.441 -7.844 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.487 -9.237 2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.157 -5.775 1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.830 -9.896 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.508 -6.446 3.781 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.000 -7.888 5.293 1.00 0.00 H new ATOM 959 N TRP A 61 7.348 -7.611 0.020 1.00 0.00 N ATOM 960 CA TRP A 61 8.248 -7.487 -1.113 1.00 0.00 C ATOM 961 C TRP A 61 7.461 -7.824 -2.381 1.00 0.00 C ATOM 962 O TRP A 61 7.008 -8.954 -2.553 1.00 0.00 O ATOM 963 CB TRP A 61 9.488 -8.364 -0.928 1.00 0.00 C ATOM 964 CG TRP A 61 10.429 -7.885 0.179 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.322 -8.092 1.499 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.632 -7.106 0.008 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.364 -7.505 2.188 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.186 -6.887 1.253 1.00 0.00 C ATOM 969 CE3 TRP A 61 12.232 -6.604 -1.160 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.367 -6.161 1.449 1.00 0.00 C ATOM 971 CZ3 TRP A 61 13.411 -5.880 -0.946 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.982 -5.650 0.300 1.00 0.00 C ATOM 0 H TRP A 61 7.218 -8.564 0.359 1.00 0.00 H new ATOM 0 HA TRP A 61 8.624 -6.467 -1.197 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.170 -9.383 -0.705 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.038 -8.400 -1.868 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.522 -8.648 1.965 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.505 -7.522 3.198 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.817 -6.764 -2.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.781 -6.004 2.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.912 -5.471 -1.811 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.896 -5.080 0.381 1.00 0.00 H new ATOM 983 N VAL A 62 7.323 -6.822 -3.238 1.00 0.00 N ATOM 984 CA VAL A 62 6.599 -6.998 -4.485 1.00 0.00 C ATOM 985 C VAL A 62 7.383 -6.341 -5.622 1.00 0.00 C ATOM 986 O VAL A 62 7.908 -5.240 -5.464 1.00 0.00 O ATOM 987 CB VAL A 62 5.177 -6.453 -4.346 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.442 -7.126 -3.185 1.00 0.00 C ATOM 989 CG2 VAL A 62 5.187 -4.932 -4.180 1.00 0.00 C ATOM 0 H VAL A 62 7.701 -5.886 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 62 6.504 -8.057 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 62 4.638 -6.687 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.433 -6.720 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.388 -8.200 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.980 -6.938 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.163 -4.570 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.752 -4.667 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.653 -4.474 -5.052 1.00 0.00 H new ATOM 999 N HIS A 63 7.438 -7.043 -6.744 1.00 0.00 N ATOM 1000 CA HIS A 63 8.149 -6.542 -7.908 1.00 0.00 C ATOM 1001 C HIS A 63 7.480 -5.258 -8.404 1.00 0.00 C ATOM 1002 O HIS A 63 6.613 -4.705 -7.730 1.00 0.00 O ATOM 1003 CB HIS A 63 8.246 -7.617 -8.991 1.00 0.00 C ATOM 1004 CG HIS A 63 6.911 -8.044 -9.553 1.00 0.00 C ATOM 1005 ND1 HIS A 63 6.784 -8.711 -10.760 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.647 -7.894 -9.062 1.00 0.00 C ATOM 1007 CE1 HIS A 63 5.498 -8.945 -10.975 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.795 -8.437 -9.922 1.00 0.00 N ATOM 0 H HIS A 63 7.001 -7.956 -6.872 1.00 0.00 H new ATOM 0 HA HIS A 63 9.174 -6.294 -7.633 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.869 -7.244 -9.804 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.751 -8.490 -8.578 1.00 0.00 H new ATOM 0 HD1 HIS A 63 7.550 -8.977 -11.378 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.384 -7.414 -8.131 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.079 -9.449 -11.833 1.00 0.00 H new ATOM 1016 N GLN A 64 7.909 -4.822 -9.579 1.00 0.00 N ATOM 1017 CA GLN A 64 7.363 -3.614 -10.174 1.00 0.00 C ATOM 1018 C GLN A 64 6.457 -3.967 -11.355 1.00 0.00 C ATOM 1019 O GLN A 64 6.601 -5.030 -11.956 1.00 0.00 O ATOM 1020 CB GLN A 64 8.480 -2.661 -10.605 1.00 0.00 C ATOM 1021 CG GLN A 64 9.450 -3.352 -11.565 1.00 0.00 C ATOM 1022 CD GLN A 64 10.057 -2.348 -12.548 1.00 0.00 C ATOM 1023 OE1 GLN A 64 9.707 -1.180 -12.577 1.00 0.00 O ATOM 1024 NE2 GLN A 64 10.983 -2.868 -13.348 1.00 0.00 N ATOM 0 H GLN A 64 8.629 -5.284 -10.135 1.00 0.00 H new ATOM 0 HA GLN A 64 6.764 -3.101 -9.422 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.049 -1.784 -11.087 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.021 -2.308 -9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.245 -3.837 -10.998 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.927 -4.135 -12.115 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.228 -3.855 -13.270 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.448 -2.280 -14.040 1.00 0.00 H new ATOM 1033 N GLY A 65 5.543 -3.054 -11.652 1.00 0.00 N ATOM 1034 CA GLY A 65 4.614 -3.256 -12.751 1.00 0.00 C ATOM 1035 C GLY A 65 3.218 -3.604 -12.231 1.00 0.00 C ATOM 1036 O GLY A 65 2.217 -3.312 -12.885 1.00 0.00 O ATOM 0 H GLY A 65 5.426 -2.173 -11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.565 -2.354 -13.361 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.976 -4.057 -13.396 1.00 0.00 H new ATOM 1040 N ARG A 66 3.195 -4.224 -11.060 1.00 0.00 N ATOM 1041 CA ARG A 66 1.938 -4.616 -10.446 1.00 0.00 C ATOM 1042 C ARG A 66 1.336 -3.441 -9.672 1.00 0.00 C ATOM 1043 O ARG A 66 0.157 -3.461 -9.323 1.00 0.00 O ATOM 1044 CB ARG A 66 2.135 -5.797 -9.493 1.00 0.00 C ATOM 1045 CG ARG A 66 1.773 -7.118 -10.174 1.00 0.00 C ATOM 1046 CD ARG A 66 0.382 -7.592 -9.747 1.00 0.00 C ATOM 1047 NE ARG A 66 0.002 -8.800 -10.512 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.559 -10.006 -10.338 1.00 0.00 C ATOM 1049 NH1 ARG A 66 1.524 -10.172 -9.424 1.00 0.00 N ATOM 1050 NH2 ARG A 66 0.150 -11.046 -11.078 1.00 0.00 N ATOM 0 H ARG A 66 4.027 -4.464 -10.521 1.00 0.00 H new ATOM 0 HA ARG A 66 1.259 -4.917 -11.244 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.172 -5.829 -9.157 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.517 -5.660 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.802 -6.993 -11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.513 -7.877 -9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.375 -7.811 -8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.348 -6.800 -9.915 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.730 -8.709 -11.216 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.835 -9.380 -8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.948 -11.090 -9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.585 -10.919 -11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.574 -11.964 -10.946 1.00 0.00 H new ATOM 1064 N VAL A 67 2.174 -2.444 -9.427 1.00 0.00 N ATOM 1065 CA VAL A 67 1.740 -1.262 -8.702 1.00 0.00 C ATOM 1066 C VAL A 67 1.441 -0.139 -9.697 1.00 0.00 C ATOM 1067 O VAL A 67 2.094 -0.034 -10.734 1.00 0.00 O ATOM 1068 CB VAL A 67 2.790 -0.873 -7.659 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.424 -2.115 -7.029 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.858 0.037 -8.270 1.00 0.00 C ATOM 0 H VAL A 67 3.152 -2.431 -9.718 1.00 0.00 H new ATOM 0 HA VAL A 67 0.819 -1.466 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 67 2.287 -0.316 -6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 67 4.166 -1.810 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.652 -2.710 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.906 -2.710 -7.804 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.592 0.299 -7.508 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.355 -0.484 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.389 0.945 -8.649 1.00 0.00 H new ATOM 1080 N PHE A 68 0.454 0.672 -9.346 1.00 0.00 N ATOM 1081 CA PHE A 68 0.060 1.783 -10.196 1.00 0.00 C ATOM 1082 C PHE A 68 0.398 3.122 -9.538 1.00 0.00 C ATOM 1083 O PHE A 68 0.404 3.232 -8.313 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.455 1.688 -10.383 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.881 1.193 -11.767 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.889 -0.139 -12.040 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.253 2.086 -12.723 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -2.285 -0.597 -13.325 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -2.648 1.627 -14.007 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.656 0.295 -14.281 1.00 0.00 C ATOM 0 H PHE A 68 -0.085 0.582 -8.485 1.00 0.00 H new ATOM 0 HA PHE A 68 0.591 1.731 -11.147 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.863 1.017 -9.627 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.895 2.670 -10.208 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.595 -0.848 -11.281 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.248 3.144 -12.505 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.291 -1.655 -13.542 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.942 2.336 -14.767 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.957 -0.054 -15.258 1.00 0.00 H new ATOM 1100 N PRO A 69 0.678 4.133 -10.403 1.00 0.00 N ATOM 1101 CA PRO A 69 1.016 5.461 -9.919 1.00 0.00 C ATOM 1102 C PRO A 69 -0.228 6.193 -9.413 1.00 0.00 C ATOM 1103 O PRO A 69 -1.204 6.346 -10.146 1.00 0.00 O ATOM 1104 CB PRO A 69 1.674 6.155 -11.101 1.00 0.00 C ATOM 1105 CG PRO A 69 1.264 5.362 -12.331 1.00 0.00 C ATOM 1106 CD PRO A 69 0.681 4.039 -11.860 1.00 0.00 C ATOM 0 HA PRO A 69 1.690 5.438 -9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.346 7.192 -11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.758 6.171 -10.990 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.530 5.916 -12.915 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.124 5.191 -12.979 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.326 3.889 -12.249 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.283 3.197 -12.201 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.154 6.626 -8.163 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.262 7.338 -7.550 1.00 0.00 C ATOM 1116 C TYR A 70 -1.177 8.838 -7.840 1.00 0.00 C ATOM 1117 O TYR A 70 -0.236 9.504 -7.414 1.00 0.00 O ATOM 1118 CB TYR A 70 -1.125 7.114 -6.043 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.183 7.838 -5.207 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -2.118 9.207 -5.047 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.203 7.121 -4.615 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -3.114 9.887 -4.260 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.199 7.802 -3.829 1.00 0.00 C ATOM 1124 CZ TYR A 70 -4.105 9.152 -3.690 1.00 0.00 C ATOM 1125 OH TYR A 70 -5.046 9.795 -2.948 1.00 0.00 O ATOM 0 H TYR A 70 0.657 6.497 -7.558 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.213 6.978 -7.942 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.184 6.045 -5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.136 7.445 -5.725 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.321 9.768 -5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.254 6.050 -4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.074 10.958 -4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.003 7.253 -3.360 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.692 9.144 -2.604 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.174 9.324 -8.565 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.225 10.733 -8.918 1.00 0.00 C ATOM 1137 C VAL A 71 -2.893 11.514 -7.785 1.00 0.00 C ATOM 1138 O VAL A 71 -3.475 10.923 -6.877 1.00 0.00 O ATOM 1139 CB VAL A 71 -2.930 10.911 -10.264 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -2.676 12.307 -10.836 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.503 9.826 -11.254 1.00 0.00 C ATOM 0 H VAL A 71 -2.953 8.767 -8.918 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.218 11.133 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.002 10.808 -10.097 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.188 12.407 -11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.053 13.059 -10.142 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.605 12.452 -10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.019 9.976 -12.203 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.426 9.882 -11.414 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.759 8.846 -10.852 1.00 0.00 H new ATOM 1151 N GLU A 72 -2.787 12.832 -7.875 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.374 13.701 -6.868 1.00 0.00 C ATOM 1153 C GLU A 72 -4.413 14.626 -7.506 1.00 0.00 C ATOM 1154 O GLU A 72 -5.612 14.464 -7.285 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.295 14.506 -6.142 1.00 0.00 C ATOM 1156 CG GLU A 72 -2.568 14.557 -4.638 1.00 0.00 C ATOM 1157 CD GLU A 72 -3.928 15.195 -4.348 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -4.941 14.497 -4.571 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -3.924 16.366 -3.911 1.00 0.00 O ATOM 0 H GLU A 72 -2.304 13.319 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.876 13.079 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.318 14.057 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.260 15.519 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.540 13.548 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.782 15.126 -4.141 1.00 0.00 H new ATOM 1367 N THR A 87 -11.201 0.253 7.225 1.00 0.00 N ATOM 1368 CA THR A 87 -9.768 0.227 6.982 1.00 0.00 C ATOM 1369 C THR A 87 -9.426 1.025 5.723 1.00 0.00 C ATOM 1370 O THR A 87 -8.567 1.905 5.755 1.00 0.00 O ATOM 1371 CB THR A 87 -9.327 -1.236 6.913 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.483 -1.710 8.248 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.829 -1.384 6.637 1.00 0.00 C ATOM 0 HA THR A 87 -9.221 0.709 7.792 1.00 0.00 H new ATOM 0 HB THR A 87 -9.892 -1.748 6.134 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.331 -1.383 8.614 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.569 -2.442 6.598 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.587 -0.915 5.683 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.263 -0.900 7.433 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.116 0.690 4.642 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.896 1.364 3.374 1.00 0.00 C ATOM 1383 C PHE A 88 -9.793 2.878 3.569 1.00 0.00 C ATOM 1384 O PHE A 88 -8.785 3.487 3.214 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.104 1.057 2.488 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.932 1.487 1.030 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.927 0.960 0.280 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.784 2.395 0.484 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.768 1.359 -1.074 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.625 2.794 -0.870 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.620 2.268 -1.620 1.00 0.00 C ATOM 0 H PHE A 88 -10.828 -0.040 4.619 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.965 1.018 2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.301 -0.015 2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.981 1.555 2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.250 0.239 0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.582 2.813 1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.970 0.941 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.302 3.515 -1.304 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.498 2.572 -2.649 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.851 3.443 4.133 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.893 4.874 4.379 1.00 0.00 C ATOM 1403 C LYS A 89 -9.666 5.283 5.197 1.00 0.00 C ATOM 1404 O LYS A 89 -9.071 6.330 4.947 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.222 5.268 5.027 1.00 0.00 C ATOM 1406 CG LYS A 89 -12.972 6.286 4.166 1.00 0.00 C ATOM 1407 CD LYS A 89 -14.232 6.783 4.877 1.00 0.00 C ATOM 1408 CE LYS A 89 -14.783 8.041 4.201 1.00 0.00 C ATOM 1409 NZ LYS A 89 -14.843 9.163 5.164 1.00 0.00 N ATOM 0 H LYS A 89 -11.685 2.935 4.426 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.848 5.423 3.438 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.839 4.381 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.038 5.688 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.319 7.130 3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.243 5.832 3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.990 6.000 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.004 6.997 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.151 8.313 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.778 7.841 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.219 10.008 4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.464 8.907 5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.888 9.364 5.523 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.324 4.435 6.156 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.179 4.695 7.011 1.00 0.00 C ATOM 1425 C LYS A 90 -6.900 4.642 6.173 1.00 0.00 C ATOM 1426 O LYS A 90 -5.949 5.376 6.438 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.173 3.738 8.204 1.00 0.00 C ATOM 1428 CG LYS A 90 -6.930 3.950 9.071 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.230 3.652 10.542 1.00 0.00 C ATOM 1430 CE LYS A 90 -5.943 3.612 11.367 1.00 0.00 C ATOM 1431 NZ LYS A 90 -6.200 3.025 12.701 1.00 0.00 N ATOM 0 H LYS A 90 -9.820 3.567 6.360 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.241 5.697 7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.070 3.893 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.202 2.708 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.124 3.304 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.581 4.978 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.899 4.414 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.749 2.697 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.187 3.025 10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.544 4.620 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.316 3.005 13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.905 3.601 13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.560 2.056 12.590 1.00 0.00 H new ATOM 1445 N ALA A 91 -6.917 3.765 5.180 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.771 3.606 4.302 1.00 0.00 C ATOM 1447 C ALA A 91 -5.737 4.762 3.299 1.00 0.00 C ATOM 1448 O ALA A 91 -4.675 5.318 3.023 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.839 2.241 3.615 1.00 0.00 C ATOM 0 H ALA A 91 -7.707 3.157 4.964 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.843 3.638 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.979 2.122 2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.831 1.454 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.756 2.173 3.030 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.912 5.088 2.782 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.031 6.168 1.816 1.00 0.00 C ATOM 1457 C LEU A 92 -6.385 7.431 2.388 1.00 0.00 C ATOM 1458 O LEU A 92 -5.518 8.031 1.753 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.491 6.358 1.402 1.00 0.00 C ATOM 1460 CG LEU A 92 -9.128 5.195 0.637 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.654 5.313 0.632 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.557 5.092 -0.778 1.00 0.00 C ATOM 0 H LEU A 92 -7.790 4.624 3.013 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.494 5.921 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.081 6.543 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.559 7.254 0.785 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.878 4.268 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.082 4.475 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.023 5.301 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.945 6.248 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.026 4.258 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.756 6.017 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.481 4.927 -0.725 1.00 0.00 H new ATOM 1474 N GLU A 93 -6.831 7.798 3.580 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.307 8.979 4.245 1.00 0.00 C ATOM 1476 C GLU A 93 -4.781 8.906 4.332 1.00 0.00 C ATOM 1477 O GLU A 93 -4.082 9.746 3.767 1.00 0.00 O ATOM 1478 CB GLU A 93 -6.928 9.149 5.633 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.438 9.374 5.534 1.00 0.00 C ATOM 1480 CD GLU A 93 -8.925 10.314 6.639 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -8.501 11.490 6.612 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -9.710 9.835 7.486 1.00 0.00 O ATOM 0 H GLU A 93 -7.550 7.298 4.103 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.577 9.854 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.727 8.263 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.463 9.993 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.684 9.795 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.958 8.419 5.609 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.309 7.893 5.044 1.00 0.00 N ATOM 1490 CA GLU A 94 -2.878 7.699 5.212 1.00 0.00 C ATOM 1491 C GLU A 94 -2.156 7.888 3.877 1.00 0.00 C ATOM 1492 O GLU A 94 -1.208 8.666 3.784 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.578 6.323 5.809 1.00 0.00 C ATOM 1494 CG GLU A 94 -2.504 6.391 7.335 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.302 5.604 7.862 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.053 4.511 7.309 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.659 6.114 8.805 1.00 0.00 O ATOM 0 H GLU A 94 -4.892 7.198 5.511 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.509 8.450 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.352 5.617 5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.634 5.948 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.430 7.431 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.422 5.991 7.765 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.632 7.162 2.875 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.044 7.239 1.549 1.00 0.00 C ATOM 1506 C ALA A 95 -1.913 8.707 1.139 1.00 0.00 C ATOM 1507 O ALA A 95 -0.840 9.149 0.731 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.894 6.433 0.566 1.00 0.00 C ATOM 0 H ALA A 95 -3.419 6.518 2.956 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.044 6.805 1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.453 6.491 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.932 5.392 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.904 6.841 0.539 1.00 0.00 H new ATOM 1514 N ALA A 96 -3.021 9.424 1.261 1.00 0.00 N ATOM 1515 CA ALA A 96 -3.044 10.833 0.907 1.00 0.00 C ATOM 1516 C ALA A 96 -1.969 11.572 1.707 1.00 0.00 C ATOM 1517 O ALA A 96 -1.067 12.178 1.130 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.444 11.399 1.152 1.00 0.00 C ATOM 0 H ALA A 96 -3.909 9.055 1.600 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.819 10.966 -0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.461 12.456 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.167 10.859 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.703 11.285 2.205 1.00 0.00 H new ATOM 1524 N LYS A 97 -2.100 11.497 3.023 1.00 0.00 N ATOM 1525 CA LYS A 97 -1.151 12.152 3.908 1.00 0.00 C ATOM 1526 C LYS A 97 0.263 11.983 3.347 1.00 0.00 C ATOM 1527 O LYS A 97 0.886 12.954 2.922 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.310 11.636 5.340 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.711 12.768 6.288 1.00 0.00 C ATOM 1530 CD LYS A 97 -1.149 12.532 7.692 1.00 0.00 C ATOM 1531 CE LYS A 97 -1.909 13.356 8.733 1.00 0.00 C ATOM 1532 NZ LYS A 97 -1.250 13.258 10.054 1.00 0.00 N ATOM 0 H LYS A 97 -2.849 10.993 3.498 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.350 13.223 3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.065 10.850 5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.374 11.190 5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.344 13.719 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.798 12.840 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.217 11.473 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.092 12.798 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.953 14.399 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.937 13.002 8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.779 13.823 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.230 12.264 10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.277 13.618 9.984 1.00 0.00 H new ATOM 1546 N ARG A 98 0.728 10.742 3.365 1.00 0.00 N ATOM 1547 CA ARG A 98 2.056 10.434 2.863 1.00 0.00 C ATOM 1548 C ARG A 98 2.337 11.223 1.583 1.00 0.00 C ATOM 1549 O ARG A 98 3.266 12.027 1.536 1.00 0.00 O ATOM 1550 CB ARG A 98 2.202 8.938 2.575 1.00 0.00 C ATOM 1551 CG ARG A 98 2.304 8.137 3.874 1.00 0.00 C ATOM 1552 CD ARG A 98 3.747 8.095 4.381 1.00 0.00 C ATOM 1553 NE ARG A 98 3.903 7.011 5.377 1.00 0.00 N ATOM 1554 CZ ARG A 98 5.012 6.811 6.102 1.00 0.00 C ATOM 1555 NH1 ARG A 98 6.069 7.620 5.947 1.00 0.00 N ATOM 1556 NH2 ARG A 98 5.064 5.802 6.982 1.00 0.00 N ATOM 0 H ARG A 98 0.209 9.939 3.719 1.00 0.00 H new ATOM 0 HA ARG A 98 2.775 10.717 3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.347 8.590 1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.090 8.766 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.661 8.584 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.943 7.122 3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.430 7.934 3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.012 9.053 4.829 1.00 0.00 H new ATOM 0 HE ARG A 98 3.117 6.377 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.029 8.388 5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.913 7.468 6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.259 5.186 7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.908 5.650 7.534 1.00 0.00 H new ATOM 1570 N PHE A 99 1.516 10.965 0.575 1.00 0.00 N ATOM 1571 CA PHE A 99 1.664 11.641 -0.703 1.00 0.00 C ATOM 1572 C PHE A 99 1.911 13.138 -0.505 1.00 0.00 C ATOM 1573 O PHE A 99 2.675 13.748 -1.252 1.00 0.00 O ATOM 1574 CB PHE A 99 0.352 11.449 -1.465 1.00 0.00 C ATOM 1575 CG PHE A 99 0.410 11.898 -2.927 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.161 13.195 -3.250 1.00 0.00 C ATOM 1577 CD2 PHE A 99 0.710 10.999 -3.902 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.215 13.611 -4.607 1.00 0.00 C ATOM 1579 CE2 PHE A 99 0.764 11.415 -5.259 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.516 12.713 -5.582 1.00 0.00 C ATOM 0 H PHE A 99 0.746 10.297 0.618 1.00 0.00 H new ATOM 0 HA PHE A 99 2.514 11.228 -1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.074 10.396 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.436 12.004 -0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.078 13.909 -2.475 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.907 9.969 -3.645 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.017 14.641 -4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.002 10.701 -6.034 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.558 13.030 -6.614 1.00 0.00 H new ATOM 1590 N GLN A 100 1.251 13.686 0.504 1.00 0.00 N ATOM 1591 CA GLN A 100 1.389 15.100 0.809 1.00 0.00 C ATOM 1592 C GLN A 100 2.685 15.352 1.582 1.00 0.00 C ATOM 1593 O GLN A 100 3.304 16.405 1.436 1.00 0.00 O ATOM 1594 CB GLN A 100 0.177 15.614 1.588 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.128 15.114 0.965 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.949 16.276 0.404 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -1.584 16.915 -0.570 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -3.075 16.515 1.070 1.00 0.00 N ATOM 0 H GLN A 100 0.619 13.176 1.121 1.00 0.00 H new ATOM 0 HA GLN A 100 1.436 15.651 -0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.239 15.283 2.625 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.184 16.704 1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.906 14.403 0.169 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.712 14.580 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.321 15.942 1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.692 17.271 0.774 1.00 0.00 H new ATOM 1607 N GLU A 101 3.057 14.368 2.387 1.00 0.00 N ATOM 1608 CA GLU A 101 4.268 14.470 3.183 1.00 0.00 C ATOM 1609 C GLU A 101 5.504 14.338 2.290 1.00 0.00 C ATOM 1610 O GLU A 101 6.375 15.205 2.298 1.00 0.00 O ATOM 1611 CB GLU A 101 4.282 13.420 4.297 1.00 0.00 C ATOM 1612 CG GLU A 101 2.908 13.305 4.959 1.00 0.00 C ATOM 1613 CD GLU A 101 3.043 13.017 6.456 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.978 12.266 6.807 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.207 13.554 7.215 1.00 0.00 O ATOM 0 H GLU A 101 2.541 13.496 2.505 1.00 0.00 H new ATOM 0 HA GLU A 101 4.288 15.453 3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.574 12.453 3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.029 13.688 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.351 14.230 4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.336 12.509 4.482 1.00 0.00 H new ATOM 1622 N LEU A 102 5.539 13.245 1.541 1.00 0.00 N ATOM 1623 CA LEU A 102 6.653 12.988 0.644 1.00 0.00 C ATOM 1624 C LEU A 102 6.919 14.236 -0.201 1.00 0.00 C ATOM 1625 O LEU A 102 8.038 14.748 -0.222 1.00 0.00 O ATOM 1626 CB LEU A 102 6.394 11.728 -0.184 1.00 0.00 C ATOM 1627 CG LEU A 102 6.310 10.416 0.599 1.00 0.00 C ATOM 1628 CD1 LEU A 102 6.983 10.550 1.966 1.00 0.00 C ATOM 1629 CD2 LEU A 102 4.861 9.941 0.717 1.00 0.00 C ATOM 0 H LEU A 102 4.814 12.528 1.537 1.00 0.00 H new ATOM 0 HA LEU A 102 7.562 12.787 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.461 11.862 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.187 11.635 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 102 6.855 9.651 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.909 9.604 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.033 10.810 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.487 11.332 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.829 9.007 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.272 10.697 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.448 9.781 -0.279 1.00 0.00 H new ATOM 1641 N LYS A 103 5.874 14.688 -0.876 1.00 0.00 N ATOM 1642 CA LYS A 103 5.981 15.866 -1.721 1.00 0.00 C ATOM 1643 C LYS A 103 6.322 17.080 -0.854 1.00 0.00 C ATOM 1644 O LYS A 103 7.215 17.856 -1.191 1.00 0.00 O ATOM 1645 CB LYS A 103 4.712 16.044 -2.556 1.00 0.00 C ATOM 1646 CG LYS A 103 3.523 16.427 -1.672 1.00 0.00 C ATOM 1647 CD LYS A 103 2.213 16.372 -2.461 1.00 0.00 C ATOM 1648 CE LYS A 103 1.308 17.554 -2.104 1.00 0.00 C ATOM 1649 NZ LYS A 103 1.843 18.808 -2.680 1.00 0.00 N ATOM 0 H LYS A 103 4.948 14.260 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 103 6.793 15.748 -2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.873 16.815 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.490 15.119 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.467 15.751 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.670 17.431 -1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.427 16.383 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.696 15.436 -2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.301 17.375 -2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.232 17.648 -1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.103 19.539 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.656 19.130 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.147 18.638 -3.660 1.00 0.00 H new