USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 433 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 54 GLN : amide:sc= -0.504 K(o=-0.5,f=-2.4!) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= -0.0516 (180deg=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.075) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.065) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.549 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1 K(o=-1,f=-2.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 3.398 2.071 9.771 1.00 0.00 N ATOM 117 CA TRP A 11 2.032 1.560 9.749 1.00 0.00 C ATOM 118 C TRP A 11 1.766 0.666 10.955 1.00 0.00 C ATOM 119 O TRP A 11 2.665 -0.021 11.442 1.00 0.00 O ATOM 120 CB TRP A 11 1.777 0.784 8.456 1.00 0.00 C ATOM 121 CG TRP A 11 1.773 1.651 7.234 1.00 0.00 C ATOM 122 CD1 TRP A 11 2.813 2.392 6.751 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.674 1.868 6.341 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.428 3.057 5.612 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.121 2.751 5.339 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.641 1.400 6.290 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.296 3.175 4.300 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.459 1.823 5.258 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.988 2.702 4.275 1.00 0.00 C ATOM 0 HA TRP A 11 1.351 2.410 9.794 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.542 0.016 8.345 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.818 0.271 8.532 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.794 2.447 7.199 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.019 3.678 5.059 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.012 0.720 7.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.657 3.853 3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.478 1.469 5.210 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.651 3.013 3.481 1.00 0.00 H new ATOM 140 N THR A 12 0.526 0.678 11.433 1.00 0.00 N ATOM 141 CA THR A 12 0.142 -0.132 12.583 1.00 0.00 C ATOM 142 C THR A 12 -0.791 -1.264 12.171 1.00 0.00 C ATOM 143 O THR A 12 -1.501 -1.164 11.170 1.00 0.00 O ATOM 144 CB THR A 12 -0.548 0.720 13.665 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.884 -0.097 14.792 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.806 1.376 13.115 1.00 0.00 C ATOM 0 H THR A 12 -0.230 1.240 11.042 1.00 0.00 H new ATOM 0 HA THR A 12 1.060 -0.553 12.994 1.00 0.00 H new ATOM 0 HB THR A 12 0.144 1.502 13.977 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.321 0.453 15.476 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.277 1.973 13.896 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.543 2.020 12.276 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.500 0.606 12.778 1.00 0.00 H new ATOM 154 N VAL A 13 -0.787 -2.342 12.950 1.00 0.00 N ATOM 155 CA VAL A 13 -1.636 -3.493 12.666 1.00 0.00 C ATOM 156 C VAL A 13 -3.002 -3.055 12.150 1.00 0.00 C ATOM 157 O VAL A 13 -3.511 -3.602 11.172 1.00 0.00 O ATOM 158 CB VAL A 13 -1.830 -4.369 13.918 1.00 0.00 C ATOM 159 CG1 VAL A 13 -2.442 -3.556 15.049 1.00 0.00 C ATOM 160 CG2 VAL A 13 -2.692 -5.579 13.593 1.00 0.00 C ATOM 0 H VAL A 13 -0.205 -2.442 13.782 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.130 -4.077 11.897 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.853 -4.725 14.246 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.572 -4.191 15.925 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.782 -2.725 15.298 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.411 -3.168 14.735 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.819 -6.187 14.489 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.668 -5.246 13.239 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.208 -6.173 12.817 1.00 0.00 H new ATOM 170 N GLU A 14 -3.589 -2.064 12.813 1.00 0.00 N ATOM 171 CA GLU A 14 -4.897 -1.553 12.420 1.00 0.00 C ATOM 172 C GLU A 14 -4.880 -1.070 10.972 1.00 0.00 C ATOM 173 O GLU A 14 -5.747 -1.431 10.177 1.00 0.00 O ATOM 174 CB GLU A 14 -5.322 -0.410 13.345 1.00 0.00 C ATOM 175 CG GLU A 14 -6.091 -0.874 14.571 1.00 0.00 C ATOM 176 CD GLU A 14 -7.268 -1.762 14.220 1.00 0.00 C ATOM 177 OE1 GLU A 14 -8.255 -1.243 13.658 1.00 0.00 O ATOM 178 OE2 GLU A 14 -7.203 -2.976 14.507 1.00 0.00 O ATOM 0 H GLU A 14 -3.180 -1.599 13.624 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.617 -2.367 12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.435 0.134 13.668 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.939 0.291 12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.417 -1.416 15.234 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.449 -0.004 15.122 1.00 0.00 H new ATOM 185 N GLU A 15 -3.887 -0.251 10.639 1.00 0.00 N ATOM 186 CA GLU A 15 -3.758 0.283 9.288 1.00 0.00 C ATOM 187 C GLU A 15 -3.430 -0.827 8.294 1.00 0.00 C ATOM 188 O GLU A 15 -4.138 -1.018 7.306 1.00 0.00 O ATOM 189 CB GLU A 15 -2.673 1.360 9.243 1.00 0.00 C ATOM 190 CG GLU A 15 -3.046 2.632 9.986 1.00 0.00 C ATOM 191 CD GLU A 15 -1.996 3.717 9.849 1.00 0.00 C ATOM 192 OE1 GLU A 15 -0.896 3.554 10.416 1.00 0.00 O ATOM 193 OE2 GLU A 15 -2.276 4.731 9.175 1.00 0.00 O ATOM 0 H GLU A 15 -3.161 0.057 11.286 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.713 0.728 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.755 0.956 9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.460 1.606 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.998 3.003 9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.190 2.403 11.042 1.00 0.00 H new ATOM 200 N GLN A 16 -2.352 -1.556 8.564 1.00 0.00 N ATOM 201 CA GLN A 16 -1.929 -2.646 7.693 1.00 0.00 C ATOM 202 C GLN A 16 -3.134 -3.402 7.144 1.00 0.00 C ATOM 203 O GLN A 16 -3.316 -3.506 5.931 1.00 0.00 O ATOM 204 CB GLN A 16 -1.011 -3.606 8.451 1.00 0.00 C ATOM 205 CG GLN A 16 0.417 -3.101 8.589 1.00 0.00 C ATOM 206 CD GLN A 16 1.352 -4.145 9.166 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.454 -4.300 10.383 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.041 -4.870 8.292 1.00 0.00 N ATOM 0 H GLN A 16 -1.756 -1.412 9.379 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.380 -2.216 6.855 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.423 -3.781 9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.000 -4.567 7.937 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.785 -2.790 7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.426 -2.218 9.228 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.926 -4.708 7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.685 -5.589 8.621 1.00 0.00 H new ATOM 217 N LYS A 17 -3.955 -3.931 8.045 1.00 0.00 N ATOM 218 CA LYS A 17 -5.144 -4.678 7.652 1.00 0.00 C ATOM 219 C LYS A 17 -6.113 -3.791 6.879 1.00 0.00 C ATOM 220 O LYS A 17 -6.689 -4.210 5.874 1.00 0.00 O ATOM 221 CB LYS A 17 -5.839 -5.256 8.887 1.00 0.00 C ATOM 222 CG LYS A 17 -6.348 -4.197 9.850 1.00 0.00 C ATOM 223 CD LYS A 17 -7.099 -4.819 11.016 1.00 0.00 C ATOM 224 CE LYS A 17 -6.151 -5.253 12.123 1.00 0.00 C ATOM 225 NZ LYS A 17 -5.642 -6.635 11.907 1.00 0.00 N ATOM 0 H LYS A 17 -3.819 -3.856 9.053 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.831 -5.495 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.676 -5.876 8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.143 -5.909 9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.509 -3.613 10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.004 -3.507 9.320 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.817 -4.101 11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.669 -5.680 10.665 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.311 -4.560 12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.665 -5.201 13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.918 -7.236 12.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.047 -7.021 11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.605 -6.615 11.830 1.00 0.00 H new ATOM 239 N LYS A 18 -6.290 -2.562 7.352 1.00 0.00 N ATOM 240 CA LYS A 18 -7.187 -1.613 6.704 1.00 0.00 C ATOM 241 C LYS A 18 -6.848 -1.467 5.224 1.00 0.00 C ATOM 242 O LYS A 18 -7.687 -1.715 4.357 1.00 0.00 O ATOM 243 CB LYS A 18 -7.106 -0.249 7.394 1.00 0.00 C ATOM 244 CG LYS A 18 -8.398 0.546 7.325 1.00 0.00 C ATOM 245 CD LYS A 18 -8.471 1.590 8.426 1.00 0.00 C ATOM 246 CE LYS A 18 -9.526 2.643 8.127 1.00 0.00 C ATOM 247 NZ LYS A 18 -9.347 3.861 8.965 1.00 0.00 N ATOM 0 H LYS A 18 -5.823 -2.200 8.183 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.204 -1.996 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.835 -0.396 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.306 0.333 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.474 1.035 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.248 -0.132 7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.699 1.104 9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.499 2.070 8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.477 2.917 7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.517 2.224 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.997 4.605 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.552 3.632 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.367 4.198 8.883 1.00 0.00 H new ATOM 261 N LEU A 19 -5.614 -1.064 4.942 1.00 0.00 N ATOM 262 CA LEU A 19 -5.164 -0.886 3.566 1.00 0.00 C ATOM 263 C LEU A 19 -5.472 -2.123 2.728 1.00 0.00 C ATOM 264 O LEU A 19 -5.976 -2.017 1.610 1.00 0.00 O ATOM 265 CB LEU A 19 -3.662 -0.596 3.534 1.00 0.00 C ATOM 266 CG LEU A 19 -2.971 -0.783 2.182 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.476 0.242 1.178 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.461 -0.682 2.337 1.00 0.00 C ATOM 0 H LEU A 19 -4.908 -0.854 5.647 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.701 -0.038 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.504 0.431 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.172 -1.242 4.262 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.212 -1.778 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.973 0.094 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.551 0.122 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.266 1.246 1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.986 -0.817 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.201 0.299 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.113 -1.455 3.022 1.00 0.00 H new ATOM 280 N GLU A 20 -5.168 -3.295 3.277 1.00 0.00 N ATOM 281 CA GLU A 20 -5.414 -4.552 2.580 1.00 0.00 C ATOM 282 C GLU A 20 -6.863 -4.637 2.108 1.00 0.00 C ATOM 283 O GLU A 20 -7.129 -4.849 0.926 1.00 0.00 O ATOM 284 CB GLU A 20 -5.092 -5.738 3.492 1.00 0.00 C ATOM 285 CG GLU A 20 -3.603 -5.999 3.648 1.00 0.00 C ATOM 286 CD GLU A 20 -3.022 -6.776 2.482 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.482 -7.911 2.237 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.108 -6.248 1.815 1.00 0.00 O ATOM 0 H GLU A 20 -4.751 -3.400 4.202 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.763 -4.588 1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.526 -5.557 4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.569 -6.633 3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.079 -5.048 3.743 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.430 -6.552 4.571 1.00 0.00 H new ATOM 295 N GLN A 21 -7.794 -4.471 3.042 1.00 0.00 N ATOM 296 CA GLN A 21 -9.215 -4.531 2.723 1.00 0.00 C ATOM 297 C GLN A 21 -9.586 -3.471 1.691 1.00 0.00 C ATOM 298 O GLN A 21 -10.153 -3.781 0.643 1.00 0.00 O ATOM 299 CB GLN A 21 -10.053 -4.343 3.989 1.00 0.00 C ATOM 300 CG GLN A 21 -10.323 -5.638 4.738 1.00 0.00 C ATOM 301 CD GLN A 21 -11.510 -5.533 5.675 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.361 -5.185 6.847 1.00 0.00 O ATOM 303 NE2 GLN A 21 -12.697 -5.835 5.163 1.00 0.00 N ATOM 0 H GLN A 21 -7.590 -4.294 4.025 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.425 -5.513 2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.540 -3.648 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.004 -3.883 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.501 -6.438 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.437 -5.914 5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.774 -6.119 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.532 -5.783 5.746 1.00 0.00 H new ATOM 312 N LEU A 22 -9.264 -2.218 1.995 1.00 0.00 N ATOM 313 CA LEU A 22 -9.563 -1.111 1.094 1.00 0.00 C ATOM 314 C LEU A 22 -9.127 -1.435 -0.331 1.00 0.00 C ATOM 315 O LEU A 22 -9.896 -1.273 -1.279 1.00 0.00 O ATOM 316 CB LEU A 22 -8.869 0.165 1.574 1.00 0.00 C ATOM 317 CG LEU A 22 -9.469 0.829 2.814 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.394 1.569 3.596 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.592 1.777 2.421 1.00 0.00 C ATOM 0 H LEU A 22 -8.796 -1.944 2.859 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.642 -0.954 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.825 -0.069 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.878 0.888 0.759 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.885 0.051 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.839 2.035 4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.623 0.865 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.948 2.337 2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.007 2.240 3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.201 2.550 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.374 1.220 1.905 1.00 0.00 H new ATOM 331 N LEU A 23 -7.889 -1.896 -0.475 1.00 0.00 N ATOM 332 CA LEU A 23 -7.351 -2.246 -1.785 1.00 0.00 C ATOM 333 C LEU A 23 -8.396 -2.969 -2.628 1.00 0.00 C ATOM 334 O LEU A 23 -8.649 -2.596 -3.774 1.00 0.00 O ATOM 335 CB LEU A 23 -6.108 -3.124 -1.629 1.00 0.00 C ATOM 336 CG LEU A 23 -4.817 -2.399 -1.246 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.816 -3.374 -0.646 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.221 -1.697 -2.457 1.00 0.00 C ATOM 0 H LEU A 23 -7.239 -2.036 0.299 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.075 -1.323 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.315 -3.880 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.940 -3.651 -2.568 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.054 -1.646 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.904 -2.841 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.243 -3.831 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.583 -4.150 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.303 -1.186 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.998 -2.432 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.934 -0.969 -2.843 1.00 0.00 H new ATOM 350 N ILE A 24 -9.001 -4.002 -2.053 1.00 0.00 N ATOM 351 CA ILE A 24 -10.022 -4.775 -2.750 1.00 0.00 C ATOM 352 C ILE A 24 -11.310 -3.973 -2.902 1.00 0.00 C ATOM 353 O ILE A 24 -11.908 -3.935 -3.978 1.00 0.00 O ATOM 354 CB ILE A 24 -10.333 -6.091 -2.013 1.00 0.00 C ATOM 355 CG1 ILE A 24 -9.069 -6.946 -1.895 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.430 -6.856 -2.737 1.00 0.00 C ATOM 357 CD1 ILE A 24 -8.272 -6.675 -0.638 1.00 0.00 C ATOM 0 H ILE A 24 -8.802 -4.324 -1.106 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.623 -5.007 -3.737 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.684 -5.854 -1.009 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.349 -7.999 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.435 -6.765 -2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.639 -7.784 -2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.334 -6.248 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.105 -7.085 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.391 -7.316 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.961 -5.630 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.889 -6.883 0.236 1.00 0.00 H new ATOM 369 N LYS A 25 -11.732 -3.332 -1.818 1.00 0.00 N ATOM 370 CA LYS A 25 -12.948 -2.527 -1.829 1.00 0.00 C ATOM 371 C LYS A 25 -13.012 -1.656 -3.079 1.00 0.00 C ATOM 372 O LYS A 25 -14.052 -1.566 -3.733 1.00 0.00 O ATOM 373 CB LYS A 25 -13.015 -1.649 -0.578 1.00 0.00 C ATOM 374 CG LYS A 25 -14.253 -0.770 -0.517 1.00 0.00 C ATOM 375 CD LYS A 25 -14.153 0.257 0.598 1.00 0.00 C ATOM 376 CE LYS A 25 -15.255 1.300 0.496 1.00 0.00 C ATOM 377 NZ LYS A 25 -15.312 2.167 1.705 1.00 0.00 N ATOM 0 H LYS A 25 -11.250 -3.354 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.802 -3.204 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.989 -2.287 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.128 -1.016 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.386 -0.260 -1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.135 -1.392 -0.362 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.214 -0.245 1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.181 0.748 0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.089 1.918 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.215 0.802 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.076 2.864 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.495 1.581 2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.405 2.662 1.820 1.00 0.00 H new ATOM 391 N TYR A 26 -11.895 -1.016 -3.407 1.00 0.00 N ATOM 392 CA TYR A 26 -11.825 -0.151 -4.578 1.00 0.00 C ATOM 393 C TYR A 26 -11.191 -0.881 -5.758 1.00 0.00 C ATOM 394 O TYR A 26 -10.079 -1.403 -5.673 1.00 0.00 O ATOM 395 CB TYR A 26 -11.025 1.113 -4.257 1.00 0.00 C ATOM 396 CG TYR A 26 -11.713 2.031 -3.272 1.00 0.00 C ATOM 397 CD1 TYR A 26 -12.654 2.960 -3.699 1.00 0.00 C ATOM 398 CD2 TYR A 26 -11.421 1.970 -1.915 1.00 0.00 C ATOM 399 CE1 TYR A 26 -13.284 3.801 -2.803 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.048 2.806 -1.012 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.978 3.720 -1.460 1.00 0.00 C ATOM 402 OH TYR A 26 -13.604 4.556 -0.563 1.00 0.00 O ATOM 0 H TYR A 26 -11.025 -1.080 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.842 0.130 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.053 0.826 -3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.839 1.660 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.897 3.025 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.692 1.257 -1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.012 4.518 -3.152 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.811 2.744 0.040 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.276 4.370 0.342 1.00 0.00 H new ATOM 412 N PRO A 27 -11.915 -0.920 -6.886 1.00 0.00 N ATOM 413 CA PRO A 27 -11.444 -1.583 -8.106 1.00 0.00 C ATOM 414 C PRO A 27 -10.284 -0.838 -8.760 1.00 0.00 C ATOM 415 O PRO A 27 -10.120 0.371 -8.596 1.00 0.00 O ATOM 416 CB PRO A 27 -12.674 -1.563 -9.018 1.00 0.00 C ATOM 417 CG PRO A 27 -13.479 -0.404 -8.542 1.00 0.00 C ATOM 418 CD PRO A 27 -13.248 -0.320 -7.059 1.00 0.00 C ATOM 0 HA PRO A 27 -11.062 -2.584 -7.904 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.390 -1.445 -10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.237 -2.493 -8.944 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.169 0.516 -9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.537 -0.546 -8.765 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.273 0.711 -6.706 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.010 -0.866 -6.502 1.00 0.00 H new ATOM 426 N PRO A 28 -9.460 -1.575 -9.519 1.00 0.00 N ATOM 427 CA PRO A 28 -8.302 -1.005 -10.213 1.00 0.00 C ATOM 428 C PRO A 28 -8.708 -0.093 -11.366 1.00 0.00 C ATOM 429 O PRO A 28 -9.791 -0.239 -11.932 1.00 0.00 O ATOM 430 CB PRO A 28 -7.562 -2.237 -10.740 1.00 0.00 C ATOM 431 CG PRO A 28 -8.613 -3.285 -10.867 1.00 0.00 C ATOM 432 CD PRO A 28 -9.595 -3.022 -9.759 1.00 0.00 C ATOM 0 HA PRO A 28 -7.700 -0.379 -9.554 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.088 -2.033 -11.700 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.773 -2.548 -10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.100 -3.233 -11.841 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.182 -4.282 -10.778 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.611 -3.288 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.358 -3.601 -8.866 1.00 0.00 H new ATOM 440 N GLU A 29 -7.832 0.846 -11.709 1.00 0.00 N ATOM 441 CA GLU A 29 -8.101 1.781 -12.795 1.00 0.00 C ATOM 442 C GLU A 29 -6.803 2.240 -13.453 1.00 0.00 C ATOM 443 O GLU A 29 -5.723 2.101 -12.880 1.00 0.00 O ATOM 444 CB GLU A 29 -8.878 2.992 -12.275 1.00 0.00 C ATOM 445 CG GLU A 29 -8.154 3.755 -11.179 1.00 0.00 C ATOM 446 CD GLU A 29 -9.033 4.795 -10.512 1.00 0.00 C ATOM 447 OE1 GLU A 29 -9.795 4.428 -9.594 1.00 0.00 O ATOM 448 OE2 GLU A 29 -8.958 5.976 -10.910 1.00 0.00 O ATOM 0 H GLU A 29 -6.931 0.979 -11.251 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.704 1.265 -13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.078 3.669 -13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.844 2.658 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.796 3.051 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.276 4.244 -11.601 1.00 0.00 H new ATOM 455 N GLU A 30 -6.918 2.787 -14.659 1.00 0.00 N ATOM 456 CA GLU A 30 -5.754 3.266 -15.394 1.00 0.00 C ATOM 457 C GLU A 30 -4.963 4.274 -14.565 1.00 0.00 C ATOM 458 O GLU A 30 -3.742 4.173 -14.444 1.00 0.00 O ATOM 459 CB GLU A 30 -6.185 3.903 -16.717 1.00 0.00 C ATOM 460 CG GLU A 30 -5.020 4.341 -17.589 1.00 0.00 C ATOM 461 CD GLU A 30 -5.438 5.313 -18.675 1.00 0.00 C ATOM 462 OE1 GLU A 30 -6.528 5.122 -19.255 1.00 0.00 O ATOM 463 OE2 GLU A 30 -4.677 6.265 -18.946 1.00 0.00 O ATOM 0 H GLU A 30 -7.805 2.909 -15.147 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.112 2.411 -15.603 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.796 3.191 -17.272 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.815 4.767 -16.506 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.258 4.806 -16.964 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.564 3.464 -18.048 1.00 0.00 H new ATOM 470 N VAL A 31 -5.668 5.246 -13.996 1.00 0.00 N ATOM 471 CA VAL A 31 -5.033 6.273 -13.178 1.00 0.00 C ATOM 472 C VAL A 31 -4.955 5.841 -11.718 1.00 0.00 C ATOM 473 O VAL A 31 -5.818 6.187 -10.912 1.00 0.00 O ATOM 474 CB VAL A 31 -5.793 7.610 -13.267 1.00 0.00 C ATOM 475 CG1 VAL A 31 -5.117 8.666 -12.406 1.00 0.00 C ATOM 476 CG2 VAL A 31 -5.891 8.072 -14.713 1.00 0.00 C ATOM 0 H VAL A 31 -6.679 5.344 -14.086 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.024 6.410 -13.568 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.804 7.459 -12.889 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.667 9.604 -12.481 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.104 8.335 -11.368 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.094 8.817 -12.751 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.431 9.018 -14.757 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.889 8.207 -15.121 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.423 7.323 -15.299 1.00 0.00 H new ATOM 486 N GLU A 32 -3.914 5.085 -11.386 1.00 0.00 N ATOM 487 CA GLU A 32 -3.723 4.606 -10.022 1.00 0.00 C ATOM 488 C GLU A 32 -3.762 5.763 -9.028 1.00 0.00 C ATOM 489 O GLU A 32 -4.238 5.614 -7.903 1.00 0.00 O ATOM 490 CB GLU A 32 -2.393 3.860 -9.901 1.00 0.00 C ATOM 491 CG GLU A 32 -1.179 4.731 -10.180 1.00 0.00 C ATOM 492 CD GLU A 32 -0.879 4.855 -11.661 1.00 0.00 C ATOM 493 OE1 GLU A 32 -1.621 5.580 -12.357 1.00 0.00 O ATOM 494 OE2 GLU A 32 0.097 4.229 -12.124 1.00 0.00 O ATOM 0 H GLU A 32 -3.190 4.791 -12.042 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.538 3.921 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.309 3.445 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.393 3.019 -10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.345 5.724 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.311 4.312 -9.671 1.00 0.00 H new ATOM 501 N SER A 33 -3.257 6.917 -9.453 1.00 0.00 N ATOM 502 CA SER A 33 -3.230 8.100 -8.600 1.00 0.00 C ATOM 503 C SER A 33 -4.544 8.252 -7.840 1.00 0.00 C ATOM 504 O SER A 33 -4.556 8.347 -6.613 1.00 0.00 O ATOM 505 CB SER A 33 -2.963 9.352 -9.437 1.00 0.00 C ATOM 506 OG SER A 33 -3.205 10.529 -8.685 1.00 0.00 O ATOM 0 H SER A 33 -2.861 7.058 -10.382 1.00 0.00 H new ATOM 0 HA SER A 33 -2.424 7.978 -7.876 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.931 9.346 -9.787 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.600 9.345 -10.322 1.00 0.00 H new ATOM 0 HG SER A 33 -3.026 11.315 -9.242 1.00 0.00 H new ATOM 512 N ARG A 34 -5.648 8.274 -8.579 1.00 0.00 N ATOM 513 CA ARG A 34 -6.968 8.416 -7.976 1.00 0.00 C ATOM 514 C ARG A 34 -7.233 7.294 -6.977 1.00 0.00 C ATOM 515 O ARG A 34 -7.513 7.546 -5.805 1.00 0.00 O ATOM 516 CB ARG A 34 -8.049 8.416 -9.058 1.00 0.00 C ATOM 517 CG ARG A 34 -7.848 9.484 -10.120 1.00 0.00 C ATOM 518 CD ARG A 34 -8.662 9.187 -11.370 1.00 0.00 C ATOM 519 NE ARG A 34 -10.032 9.680 -11.261 1.00 0.00 N ATOM 520 CZ ARG A 34 -10.793 9.976 -12.309 1.00 0.00 C ATOM 521 NH1 ARG A 34 -10.318 9.830 -13.539 1.00 0.00 N ATOM 522 NH2 ARG A 34 -12.030 10.419 -12.129 1.00 0.00 N ATOM 0 H ARG A 34 -5.655 8.195 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.996 9.367 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.070 7.438 -9.538 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.022 8.562 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.136 10.456 -9.719 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.791 9.547 -10.379 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.180 9.645 -12.234 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.677 8.111 -11.546 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.427 9.804 -10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.367 9.490 -13.681 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.904 10.058 -14.342 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.399 10.533 -11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.613 10.646 -12.935 1.00 0.00 H new ATOM 536 N ARG A 35 -7.143 6.055 -7.449 1.00 0.00 N ATOM 537 CA ARG A 35 -7.374 4.894 -6.598 1.00 0.00 C ATOM 538 C ARG A 35 -6.748 5.096 -5.221 1.00 0.00 C ATOM 539 O ARG A 35 -7.382 4.841 -4.197 1.00 0.00 O ATOM 540 CB ARG A 35 -6.802 3.634 -7.250 1.00 0.00 C ATOM 541 CG ARG A 35 -7.058 2.365 -6.453 1.00 0.00 C ATOM 542 CD ARG A 35 -6.482 1.143 -7.151 1.00 0.00 C ATOM 543 NE ARG A 35 -6.347 0.007 -6.243 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.980 -1.207 -6.635 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.711 -1.442 -7.912 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.880 -2.190 -5.749 1.00 0.00 N ATOM 0 H ARG A 35 -6.912 5.829 -8.416 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.450 4.774 -6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.234 3.522 -8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.727 3.759 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.616 2.461 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.131 2.233 -6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.126 0.865 -7.986 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.506 1.391 -7.569 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.546 0.155 -5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.786 -0.689 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.429 -2.376 -8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.085 -2.013 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.598 -3.122 -6.051 1.00 0.00 H new ATOM 560 N TRP A 36 -5.501 5.553 -5.206 1.00 0.00 N ATOM 561 CA TRP A 36 -4.789 5.788 -3.955 1.00 0.00 C ATOM 562 C TRP A 36 -5.441 6.915 -3.161 1.00 0.00 C ATOM 563 O TRP A 36 -5.616 6.810 -1.947 1.00 0.00 O ATOM 564 CB TRP A 36 -3.323 6.126 -4.234 1.00 0.00 C ATOM 565 CG TRP A 36 -2.700 5.248 -5.276 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.938 5.648 -6.337 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.787 3.821 -5.358 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.546 4.557 -7.073 1.00 0.00 N ATOM 569 CE2 TRP A 36 -2.053 3.424 -6.493 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.410 2.840 -4.582 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -1.929 2.089 -6.869 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.287 1.516 -4.957 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.550 1.150 -6.092 1.00 0.00 C ATOM 0 H TRP A 36 -4.962 5.768 -6.045 1.00 0.00 H new ATOM 0 HA TRP A 36 -4.837 4.875 -3.361 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.252 7.165 -4.555 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.755 6.038 -3.308 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.681 6.672 -6.564 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.971 4.585 -7.915 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.978 3.112 -3.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.362 1.805 -7.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.767 0.750 -4.366 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.471 0.106 -6.358 1.00 0.00 H new ATOM 584 N GLN A 37 -5.798 7.992 -3.854 1.00 0.00 N ATOM 585 CA GLN A 37 -6.430 9.138 -3.211 1.00 0.00 C ATOM 586 C GLN A 37 -7.671 8.710 -2.434 1.00 0.00 C ATOM 587 O GLN A 37 -7.885 9.141 -1.300 1.00 0.00 O ATOM 588 CB GLN A 37 -6.806 10.191 -4.255 1.00 0.00 C ATOM 589 CG GLN A 37 -7.214 11.526 -3.653 1.00 0.00 C ATOM 590 CD GLN A 37 -6.022 12.381 -3.269 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.683 13.341 -3.962 1.00 0.00 O ATOM 592 NE2 GLN A 37 -5.379 12.037 -2.159 1.00 0.00 N ATOM 0 H GLN A 37 -5.660 8.095 -4.859 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.716 9.570 -2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.959 10.347 -4.923 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.626 9.810 -4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.831 12.070 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.829 11.350 -2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.694 11.234 -1.615 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.570 12.576 -1.850 1.00 0.00 H new ATOM 601 N LYS A 38 -8.486 7.861 -3.050 1.00 0.00 N ATOM 602 CA LYS A 38 -9.705 7.374 -2.417 1.00 0.00 C ATOM 603 C LYS A 38 -9.382 6.559 -1.169 1.00 0.00 C ATOM 604 O LYS A 38 -9.868 6.858 -0.078 1.00 0.00 O ATOM 605 CB LYS A 38 -10.510 6.522 -3.401 1.00 0.00 C ATOM 606 CG LYS A 38 -10.928 7.271 -4.654 1.00 0.00 C ATOM 607 CD LYS A 38 -11.673 6.367 -5.622 1.00 0.00 C ATOM 608 CE LYS A 38 -11.761 6.987 -7.008 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.843 6.370 -7.824 1.00 0.00 N ATOM 0 H LYS A 38 -8.324 7.496 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.301 8.238 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.916 5.654 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.401 6.146 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.563 8.114 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.046 7.682 -5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.167 5.404 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.677 6.176 -5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.941 8.058 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.806 6.867 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.870 6.820 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.658 5.352 -7.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.758 6.506 -7.348 1.00 0.00 H new ATOM 623 N ILE A 39 -8.557 5.531 -1.336 1.00 0.00 N ATOM 624 CA ILE A 39 -8.167 4.675 -0.222 1.00 0.00 C ATOM 625 C ILE A 39 -7.571 5.495 0.917 1.00 0.00 C ATOM 626 O ILE A 39 -8.012 5.397 2.062 1.00 0.00 O ATOM 627 CB ILE A 39 -7.146 3.609 -0.662 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.781 2.650 -1.671 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.625 2.846 0.546 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.778 2.002 -2.600 1.00 0.00 C ATOM 0 H ILE A 39 -8.146 5.270 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.072 4.177 0.126 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.305 4.108 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.320 1.872 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.516 3.194 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.904 2.096 0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.141 3.540 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.456 2.355 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.297 1.335 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.256 2.773 -3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.057 1.430 -2.015 1.00 0.00 H new ATOM 642 N ALA A 40 -6.567 6.304 0.595 1.00 0.00 N ATOM 643 CA ALA A 40 -5.913 7.143 1.591 1.00 0.00 C ATOM 644 C ALA A 40 -6.934 7.950 2.385 1.00 0.00 C ATOM 645 O ALA A 40 -6.909 7.960 3.616 1.00 0.00 O ATOM 646 CB ALA A 40 -4.910 8.071 0.922 1.00 0.00 C ATOM 0 H ALA A 40 -6.189 6.396 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.383 6.492 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.429 8.692 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.155 7.479 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.426 8.708 0.204 1.00 0.00 H new ATOM 652 N ASP A 41 -7.830 8.625 1.674 1.00 0.00 N ATOM 653 CA ASP A 41 -8.861 9.435 2.314 1.00 0.00 C ATOM 654 C ASP A 41 -9.459 8.705 3.513 1.00 0.00 C ATOM 655 O ASP A 41 -9.425 9.207 4.636 1.00 0.00 O ATOM 656 CB ASP A 41 -9.962 9.782 1.311 1.00 0.00 C ATOM 657 CG ASP A 41 -10.752 11.010 1.720 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.225 11.817 2.514 1.00 0.00 O ATOM 659 OD2 ASP A 41 -11.897 11.163 1.246 1.00 0.00 O ATOM 0 H ASP A 41 -7.864 8.628 0.655 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.398 10.357 2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.516 9.950 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.640 8.934 1.212 1.00 0.00 H new ATOM 664 N GLU A 42 -10.007 7.520 3.265 1.00 0.00 N ATOM 665 CA GLU A 42 -10.614 6.723 4.324 1.00 0.00 C ATOM 666 C GLU A 42 -9.698 6.648 5.542 1.00 0.00 C ATOM 667 O GLU A 42 -10.094 7.001 6.654 1.00 0.00 O ATOM 668 CB GLU A 42 -10.924 5.313 3.818 1.00 0.00 C ATOM 669 CG GLU A 42 -12.293 5.185 3.171 1.00 0.00 C ATOM 670 CD GLU A 42 -13.426 5.348 4.165 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.239 4.980 5.344 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.500 5.843 3.764 1.00 0.00 O ATOM 0 H GLU A 42 -10.043 7.091 2.340 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.544 7.208 4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.162 5.019 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.859 4.614 4.652 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.392 5.936 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.374 4.210 2.690 1.00 0.00 H new ATOM 679 N LEU A 43 -8.471 6.186 5.325 1.00 0.00 N ATOM 680 CA LEU A 43 -7.497 6.064 6.404 1.00 0.00 C ATOM 681 C LEU A 43 -7.448 7.339 7.240 1.00 0.00 C ATOM 682 O LEU A 43 -7.464 7.289 8.469 1.00 0.00 O ATOM 683 CB LEU A 43 -6.111 5.761 5.834 1.00 0.00 C ATOM 684 CG LEU A 43 -5.948 4.403 5.150 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.667 4.367 4.331 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.957 3.283 6.180 1.00 0.00 C ATOM 0 H LEU A 43 -8.127 5.890 4.411 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.806 5.241 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.858 6.540 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.385 5.827 6.644 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.790 4.255 4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.569 3.393 3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.701 5.145 3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.812 4.538 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.840 2.324 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.135 3.427 6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.903 3.295 6.722 1.00 0.00 H new ATOM 698 N GLY A 44 -7.391 8.483 6.564 1.00 0.00 N ATOM 699 CA GLY A 44 -7.343 9.755 7.260 1.00 0.00 C ATOM 700 C GLY A 44 -5.925 10.193 7.571 1.00 0.00 C ATOM 701 O GLY A 44 -5.575 11.358 7.390 1.00 0.00 O ATOM 0 H GLY A 44 -7.377 8.551 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.830 10.517 6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.908 9.679 8.189 1.00 0.00 H new ATOM 705 N ASN A 45 -5.108 9.256 8.041 1.00 0.00 N ATOM 706 CA ASN A 45 -3.720 9.552 8.379 1.00 0.00 C ATOM 707 C ASN A 45 -2.822 9.425 7.153 1.00 0.00 C ATOM 708 O ASN A 45 -1.971 10.279 6.902 1.00 0.00 O ATOM 709 CB ASN A 45 -3.231 8.612 9.483 1.00 0.00 C ATOM 710 CG ASN A 45 -4.204 8.526 10.643 1.00 0.00 C ATOM 711 OD1 ASN A 45 -5.314 8.013 10.499 1.00 0.00 O ATOM 712 ND2 ASN A 45 -3.792 9.030 11.800 1.00 0.00 N ATOM 0 H ASN A 45 -5.383 8.286 8.196 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.671 10.580 8.738 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.077 7.616 9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.264 8.957 9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.404 9.001 12.616 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.863 9.446 11.873 1.00 0.00 H new ATOM 719 N ARG A 46 -3.018 8.353 6.391 1.00 0.00 N ATOM 720 CA ARG A 46 -2.225 8.114 5.191 1.00 0.00 C ATOM 721 C ARG A 46 -2.662 9.038 4.058 1.00 0.00 C ATOM 722 O ARG A 46 -3.648 9.766 4.180 1.00 0.00 O ATOM 723 CB ARG A 46 -2.354 6.654 4.752 1.00 0.00 C ATOM 724 CG ARG A 46 -1.618 5.679 5.655 1.00 0.00 C ATOM 725 CD ARG A 46 -0.118 5.930 5.641 1.00 0.00 C ATOM 726 NE ARG A 46 0.279 6.927 6.631 1.00 0.00 N ATOM 727 CZ ARG A 46 1.522 7.061 7.081 1.00 0.00 C ATOM 728 NH1 ARG A 46 2.483 6.265 6.632 1.00 0.00 N ATOM 729 NH2 ARG A 46 1.806 7.993 7.982 1.00 0.00 N ATOM 0 H ARG A 46 -3.719 7.637 6.583 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.182 8.325 5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.410 6.384 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.972 6.554 3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.994 5.771 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.820 4.658 5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.408 4.995 5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.184 6.264 4.649 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.437 7.555 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.269 5.548 5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.436 6.370 6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.070 8.607 8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.761 8.095 8.327 1.00 0.00 H new ATOM 743 N THR A 47 -1.922 9.003 2.954 1.00 0.00 N ATOM 744 CA THR A 47 -2.231 9.838 1.800 1.00 0.00 C ATOM 745 C THR A 47 -1.957 9.096 0.496 1.00 0.00 C ATOM 746 O THR A 47 -1.173 8.148 0.463 1.00 0.00 O ATOM 747 CB THR A 47 -1.414 11.144 1.816 1.00 0.00 C ATOM 748 OG1 THR A 47 -0.020 10.851 1.670 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.644 11.910 3.110 1.00 0.00 C ATOM 0 H THR A 47 -1.104 8.405 2.835 1.00 0.00 H new ATOM 0 HA THR A 47 -3.292 10.082 1.861 1.00 0.00 H new ATOM 0 HB THR A 47 -1.744 11.764 0.982 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.493 11.686 1.679 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.057 12.828 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.702 12.157 3.204 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.339 11.295 3.956 1.00 0.00 H new ATOM 757 N ALA A 48 -2.608 9.535 -0.576 1.00 0.00 N ATOM 758 CA ALA A 48 -2.432 8.914 -1.883 1.00 0.00 C ATOM 759 C ALA A 48 -1.002 8.417 -2.067 1.00 0.00 C ATOM 760 O ALA A 48 -0.777 7.253 -2.400 1.00 0.00 O ATOM 761 CB ALA A 48 -2.797 9.896 -2.987 1.00 0.00 C ATOM 0 H ALA A 48 -3.262 10.318 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.098 8.053 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.661 9.419 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.838 10.200 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.154 10.774 -2.921 1.00 0.00 H new ATOM 767 N LYS A 49 -0.039 9.305 -1.848 1.00 0.00 N ATOM 768 CA LYS A 49 1.370 8.957 -1.989 1.00 0.00 C ATOM 769 C LYS A 49 1.743 7.810 -1.054 1.00 0.00 C ATOM 770 O LYS A 49 2.002 6.693 -1.501 1.00 0.00 O ATOM 771 CB LYS A 49 2.249 10.174 -1.695 1.00 0.00 C ATOM 772 CG LYS A 49 2.540 11.024 -2.920 1.00 0.00 C ATOM 773 CD LYS A 49 3.802 10.565 -3.631 1.00 0.00 C ATOM 774 CE LYS A 49 3.875 11.114 -5.047 1.00 0.00 C ATOM 775 NZ LYS A 49 4.147 12.578 -5.062 1.00 0.00 N ATOM 0 H LYS A 49 -0.208 10.272 -1.572 1.00 0.00 H new ATOM 0 HA LYS A 49 1.538 8.635 -3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.760 10.792 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.192 9.836 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.696 10.974 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.648 12.067 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.677 10.890 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.829 9.476 -3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.658 10.594 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.936 10.914 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.189 12.913 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.387 13.078 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.056 12.767 -4.593 1.00 0.00 H new ATOM 789 N GLN A 50 1.766 8.095 0.244 1.00 0.00 N ATOM 790 CA GLN A 50 2.106 7.086 1.240 1.00 0.00 C ATOM 791 C GLN A 50 1.483 5.739 0.887 1.00 0.00 C ATOM 792 O GLN A 50 2.079 4.688 1.118 1.00 0.00 O ATOM 793 CB GLN A 50 1.638 7.530 2.627 1.00 0.00 C ATOM 794 CG GLN A 50 2.244 8.848 3.081 1.00 0.00 C ATOM 795 CD GLN A 50 3.747 8.896 2.888 1.00 0.00 C ATOM 796 OE1 GLN A 50 4.414 7.861 2.859 1.00 0.00 O ATOM 797 NE2 GLN A 50 4.289 10.101 2.754 1.00 0.00 N ATOM 0 H GLN A 50 1.554 9.015 0.630 1.00 0.00 H new ATOM 0 HA GLN A 50 3.190 6.972 1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.552 7.622 2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.890 6.755 3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.784 9.665 2.526 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.011 9.007 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.698 10.932 2.784 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.296 10.195 2.621 1.00 0.00 H new ATOM 806 N VAL A 51 0.279 5.780 0.325 1.00 0.00 N ATOM 807 CA VAL A 51 -0.425 4.563 -0.062 1.00 0.00 C ATOM 808 C VAL A 51 0.209 3.929 -1.295 1.00 0.00 C ATOM 809 O VAL A 51 0.383 2.713 -1.360 1.00 0.00 O ATOM 810 CB VAL A 51 -1.912 4.842 -0.348 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.616 3.573 -0.805 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.591 5.425 0.882 1.00 0.00 C ATOM 0 H VAL A 51 -0.229 6.642 0.128 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.348 3.872 0.778 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.978 5.575 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.666 3.790 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.145 3.203 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.543 2.815 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.641 5.616 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.516 4.718 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.103 6.359 1.159 1.00 0.00 H new ATOM 822 N ALA A 52 0.552 4.763 -2.271 1.00 0.00 N ATOM 823 CA ALA A 52 1.169 4.284 -3.502 1.00 0.00 C ATOM 824 C ALA A 52 2.448 3.507 -3.209 1.00 0.00 C ATOM 825 O ALA A 52 2.642 2.400 -3.710 1.00 0.00 O ATOM 826 CB ALA A 52 1.460 5.451 -4.435 1.00 0.00 C ATOM 0 H ALA A 52 0.413 5.773 -2.233 1.00 0.00 H new ATOM 0 HA ALA A 52 0.468 3.607 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.921 5.079 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.529 5.962 -4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.139 6.148 -3.945 1.00 0.00 H new ATOM 832 N SER A 53 3.319 4.095 -2.395 1.00 0.00 N ATOM 833 CA SER A 53 4.582 3.459 -2.039 1.00 0.00 C ATOM 834 C SER A 53 4.341 2.186 -1.233 1.00 0.00 C ATOM 835 O SER A 53 5.140 1.251 -1.278 1.00 0.00 O ATOM 836 CB SER A 53 5.456 4.426 -1.237 1.00 0.00 C ATOM 837 OG SER A 53 5.857 5.529 -2.031 1.00 0.00 O ATOM 0 H SER A 53 3.173 5.011 -1.970 1.00 0.00 H new ATOM 0 HA SER A 53 5.099 3.192 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.905 4.782 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.337 3.902 -0.865 1.00 0.00 H new ATOM 0 HG SER A 53 6.413 6.133 -1.495 1.00 0.00 H new ATOM 843 N GLN A 54 3.234 2.159 -0.498 1.00 0.00 N ATOM 844 CA GLN A 54 2.888 1.001 0.318 1.00 0.00 C ATOM 845 C GLN A 54 2.322 -0.123 -0.543 1.00 0.00 C ATOM 846 O GLN A 54 2.620 -1.297 -0.324 1.00 0.00 O ATOM 847 CB GLN A 54 1.875 1.395 1.395 1.00 0.00 C ATOM 848 CG GLN A 54 1.942 0.525 2.640 1.00 0.00 C ATOM 849 CD GLN A 54 3.133 0.856 3.519 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.786 1.884 3.338 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.421 -0.016 4.478 1.00 0.00 N ATOM 0 H GLN A 54 2.562 2.925 -0.451 1.00 0.00 H new ATOM 0 HA GLN A 54 3.798 0.642 0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.044 2.434 1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.871 1.338 0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.025 0.649 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.993 -0.523 2.344 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.852 -0.855 4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.211 0.153 5.101 1.00 0.00 H new ATOM 860 N VAL A 55 1.504 0.245 -1.525 1.00 0.00 N ATOM 861 CA VAL A 55 0.897 -0.732 -2.420 1.00 0.00 C ATOM 862 C VAL A 55 1.936 -1.344 -3.352 1.00 0.00 C ATOM 863 O VAL A 55 1.988 -2.561 -3.526 1.00 0.00 O ATOM 864 CB VAL A 55 -0.225 -0.099 -3.265 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.755 -1.097 -4.283 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.345 0.408 -2.368 1.00 0.00 C ATOM 0 H VAL A 55 1.247 1.213 -1.720 1.00 0.00 H new ATOM 0 HA VAL A 55 0.471 -1.514 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 55 0.188 0.751 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.547 -0.632 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.054 -1.406 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.153 -1.969 -3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.129 0.852 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.758 -0.423 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.951 1.159 -1.683 1.00 0.00 H new ATOM 876 N GLN A 56 2.762 -0.491 -3.949 1.00 0.00 N ATOM 877 CA GLN A 56 3.801 -0.949 -4.865 1.00 0.00 C ATOM 878 C GLN A 56 4.658 -2.033 -4.218 1.00 0.00 C ATOM 879 O GLN A 56 5.086 -2.978 -4.880 1.00 0.00 O ATOM 880 CB GLN A 56 4.683 0.224 -5.297 1.00 0.00 C ATOM 881 CG GLN A 56 5.645 0.692 -4.217 1.00 0.00 C ATOM 882 CD GLN A 56 6.750 1.575 -4.763 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.621 2.799 -4.800 1.00 0.00 O ATOM 884 NE2 GLN A 56 7.845 0.957 -5.190 1.00 0.00 N ATOM 0 H GLN A 56 2.732 0.520 -3.815 1.00 0.00 H new ATOM 0 HA GLN A 56 3.314 -1.372 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.254 -0.067 -6.179 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.046 1.058 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.091 1.239 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.087 -0.176 -3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.909 -0.060 -5.141 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.622 1.499 -5.567 1.00 0.00 H new ATOM 893 N LYS A 57 4.905 -1.889 -2.921 1.00 0.00 N ATOM 894 CA LYS A 57 5.710 -2.855 -2.183 1.00 0.00 C ATOM 895 C LYS A 57 4.830 -3.941 -1.570 1.00 0.00 C ATOM 896 O LYS A 57 5.224 -4.604 -0.611 1.00 0.00 O ATOM 897 CB LYS A 57 6.509 -2.151 -1.084 1.00 0.00 C ATOM 898 CG LYS A 57 7.741 -1.426 -1.598 1.00 0.00 C ATOM 899 CD LYS A 57 8.348 -0.532 -0.530 1.00 0.00 C ATOM 900 CE LYS A 57 9.454 0.343 -1.098 1.00 0.00 C ATOM 901 NZ LYS A 57 10.283 0.957 -0.024 1.00 0.00 N ATOM 0 H LYS A 57 4.559 -1.112 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 57 6.402 -3.324 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.862 -1.435 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.815 -2.887 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.482 -2.154 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.475 -0.826 -2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.571 0.098 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.747 -1.147 0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.090 -0.254 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.015 1.129 -1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.026 1.546 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.681 1.548 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.722 0.207 0.547 1.00 0.00 H new ATOM 915 N TYR A 58 3.639 -4.116 -2.131 1.00 0.00 N ATOM 916 CA TYR A 58 2.704 -5.121 -1.639 1.00 0.00 C ATOM 917 C TYR A 58 2.375 -6.139 -2.727 1.00 0.00 C ATOM 918 O TYR A 58 2.225 -7.330 -2.454 1.00 0.00 O ATOM 919 CB TYR A 58 1.419 -4.453 -1.144 1.00 0.00 C ATOM 920 CG TYR A 58 1.445 -4.107 0.327 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.618 -3.689 0.942 1.00 0.00 C ATOM 922 CD2 TYR A 58 0.296 -4.199 1.103 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.646 -3.372 2.287 1.00 0.00 C ATOM 924 CE2 TYR A 58 0.314 -3.883 2.448 1.00 0.00 C ATOM 925 CZ TYR A 58 1.492 -3.470 3.035 1.00 0.00 C ATOM 926 OH TYR A 58 1.515 -3.156 4.374 1.00 0.00 O ATOM 0 H TYR A 58 3.298 -3.576 -2.926 1.00 0.00 H new ATOM 0 HA TYR A 58 3.177 -5.645 -0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.247 -3.543 -1.720 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.576 -5.117 -1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.524 -3.610 0.359 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.628 -4.523 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.567 -3.049 2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.589 -3.959 3.036 1.00 0.00 H new ATOM 0 HH TYR A 58 0.620 -3.277 4.754 1.00 0.00 H new ATOM 936 N PHE A 59 2.265 -5.660 -3.961 1.00 0.00 N ATOM 937 CA PHE A 59 1.953 -6.526 -5.092 1.00 0.00 C ATOM 938 C PHE A 59 3.203 -6.810 -5.920 1.00 0.00 C ATOM 939 O PHE A 59 3.396 -7.923 -6.411 1.00 0.00 O ATOM 940 CB PHE A 59 0.879 -5.885 -5.973 1.00 0.00 C ATOM 941 CG PHE A 59 -0.429 -5.675 -5.266 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.497 -4.892 -4.124 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.591 -6.259 -5.742 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.699 -4.698 -3.471 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.797 -6.068 -5.093 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.851 -5.286 -3.957 1.00 0.00 C ATOM 0 H PHE A 59 2.387 -4.677 -4.204 1.00 0.00 H new ATOM 0 HA PHE A 59 1.575 -7.470 -4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.244 -4.925 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.714 -6.515 -6.847 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.400 -4.428 -3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.555 -6.871 -6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.738 -4.087 -2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.695 -6.530 -5.475 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.792 -5.134 -3.449 1.00 0.00 H new ATOM 956 N ILE A 60 4.048 -5.796 -6.071 1.00 0.00 N ATOM 957 CA ILE A 60 5.279 -5.936 -6.839 1.00 0.00 C ATOM 958 C ILE A 60 6.247 -6.896 -6.156 1.00 0.00 C ATOM 959 O ILE A 60 6.995 -7.616 -6.817 1.00 0.00 O ATOM 960 CB ILE A 60 5.976 -4.577 -7.038 1.00 0.00 C ATOM 961 CG1 ILE A 60 4.972 -3.530 -7.523 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.127 -4.711 -8.023 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.565 -2.146 -7.671 1.00 0.00 C ATOM 0 H ILE A 60 3.903 -4.869 -5.672 1.00 0.00 H new ATOM 0 HA ILE A 60 4.999 -6.338 -7.813 1.00 0.00 H new ATOM 0 HB ILE A 60 6.380 -4.249 -6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.565 -3.846 -8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.138 -3.486 -6.822 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.609 -3.742 -8.153 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.852 -5.429 -7.640 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.746 -5.058 -8.983 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.796 -1.456 -8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.947 -1.809 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.380 -2.175 -8.394 1.00 0.00 H new