USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 33:sc= 0.543 USER MOD Single : A 22 LYS NZ :NH3+ -123:sc= -0.276 (180deg=-1.93!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.116 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.02) USER MOD Single : A 38 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.12) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0555) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 54 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.38) USER MOD Single : A 57 SER OG : rot 91:sc= -1.68! USER MOD Single : A 59 GLN : amide:sc= -1.8! C(o=-1.8!,f=-1.5!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.897 K(o=-0.9,f=-0.021) USER MOD Single : A 64 GLN : amide:sc= -0.092 X(o=-0.092,f=-0.42) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.206 -14.663 -2.004 1.00 0.00 N ATOM 143 CA HIS A 11 -0.073 -14.242 -0.614 1.00 0.00 C ATOM 144 C HIS A 11 1.369 -14.379 -0.136 1.00 0.00 C ATOM 145 O HIS A 11 2.000 -15.422 -0.313 1.00 0.00 O ATOM 146 CB HIS A 11 -0.999 -15.055 0.290 1.00 0.00 C ATOM 147 CG HIS A 11 -2.406 -15.144 -0.216 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.177 -14.021 -0.385 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.126 -16.235 -0.569 1.00 0.00 C ATOM 150 CE1 HIS A 11 -4.344 -14.449 -0.834 1.00 0.00 C ATOM 151 NE2 HIS A 11 -4.361 -15.784 -0.962 1.00 0.00 N ATOM 0 HA HIS A 11 -0.359 -13.192 -0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.596 -16.062 0.397 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.007 -14.608 1.284 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.793 -17.262 -0.546 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.179 -13.805 -1.068 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -5.141 -16.354 -1.288 1.00 0.00 H new ATOM 159 N ILE A 12 1.880 -13.314 0.466 1.00 0.00 N ATOM 160 CA ILE A 12 3.245 -13.288 0.977 1.00 0.00 C ATOM 161 C ILE A 12 3.260 -13.422 2.495 1.00 0.00 C ATOM 162 O ILE A 12 2.274 -13.103 3.160 1.00 0.00 O ATOM 163 CB ILE A 12 3.945 -11.971 0.587 1.00 0.00 C ATOM 164 CG1 ILE A 12 5.362 -11.912 1.160 1.00 0.00 C ATOM 165 CG2 ILE A 12 3.126 -10.787 1.075 1.00 0.00 C ATOM 166 CD1 ILE A 12 6.422 -11.609 0.124 1.00 0.00 C ATOM 0 H ILE A 12 1.363 -12.447 0.614 1.00 0.00 H new ATOM 0 HA ILE A 12 3.777 -14.131 0.535 1.00 0.00 H new ATOM 0 HB ILE A 12 4.021 -11.929 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.399 -11.150 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.593 -12.865 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.626 -9.859 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.136 -10.817 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.028 -10.835 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.401 -11.583 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.413 -12.384 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.216 -10.642 -0.335 1.00 0.00 H new ATOM 178 N SER A 13 4.390 -13.872 3.041 1.00 0.00 N ATOM 179 CA SER A 13 4.529 -14.014 4.484 1.00 0.00 C ATOM 180 C SER A 13 4.120 -12.714 5.164 1.00 0.00 C ATOM 181 O SER A 13 3.489 -12.721 6.222 1.00 0.00 O ATOM 182 CB SER A 13 5.970 -14.372 4.850 1.00 0.00 C ATOM 183 OG SER A 13 6.028 -15.600 5.555 1.00 0.00 O ATOM 0 H SER A 13 5.216 -14.142 2.507 1.00 0.00 H new ATOM 0 HA SER A 13 3.879 -14.819 4.826 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.572 -14.441 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.401 -13.578 5.460 1.00 0.00 H new ATOM 0 HG SER A 13 6.960 -15.807 5.776 1.00 0.00 H new ATOM 189 N LYS A 14 4.469 -11.597 4.529 1.00 0.00 N ATOM 190 CA LYS A 14 4.123 -10.279 5.046 1.00 0.00 C ATOM 191 C LYS A 14 4.369 -9.199 3.994 1.00 0.00 C ATOM 192 O LYS A 14 5.330 -9.267 3.229 1.00 0.00 O ATOM 193 CB LYS A 14 4.931 -9.975 6.310 1.00 0.00 C ATOM 194 CG LYS A 14 6.434 -9.937 6.081 1.00 0.00 C ATOM 195 CD LYS A 14 7.108 -8.913 6.980 1.00 0.00 C ATOM 196 CE LYS A 14 8.226 -9.540 7.796 1.00 0.00 C ATOM 197 NZ LYS A 14 7.700 -10.371 8.913 1.00 0.00 N ATOM 0 H LYS A 14 4.992 -11.581 3.654 1.00 0.00 H new ATOM 0 HA LYS A 14 3.062 -10.280 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.610 -9.015 6.714 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.706 -10.729 7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.857 -10.924 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.638 -9.697 5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.510 -8.102 6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.369 -8.473 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.847 -10.156 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.866 -8.755 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.494 -10.781 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.128 -9.778 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.110 -11.136 8.528 1.00 0.00 H new ATOM 211 N TYR A 15 3.492 -8.202 3.973 1.00 0.00 N ATOM 212 CA TYR A 15 3.596 -7.091 3.033 1.00 0.00 C ATOM 213 C TYR A 15 3.780 -5.784 3.796 1.00 0.00 C ATOM 214 O TYR A 15 3.063 -5.523 4.755 1.00 0.00 O ATOM 215 CB TYR A 15 2.324 -7.011 2.179 1.00 0.00 C ATOM 216 CG TYR A 15 2.566 -7.025 0.684 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.438 -6.122 0.089 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.909 -7.938 -0.133 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.651 -6.129 -1.278 1.00 0.00 C ATOM 220 CE2 TYR A 15 2.117 -7.952 -1.500 1.00 0.00 C ATOM 221 CZ TYR A 15 2.988 -7.046 -2.066 1.00 0.00 C ATOM 222 OH TYR A 15 3.195 -7.056 -3.427 1.00 0.00 O ATOM 0 H TYR A 15 2.693 -8.140 4.603 1.00 0.00 H new ATOM 0 HA TYR A 15 4.456 -7.254 2.384 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.676 -7.849 2.437 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.785 -6.100 2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.958 -5.403 0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.225 -8.648 0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.332 -5.420 -1.725 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.600 -8.669 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 15 4.121 -6.800 -3.619 1.00 0.00 H new ATOM 232 N ILE A 16 4.732 -4.960 3.376 1.00 0.00 N ATOM 233 CA ILE A 16 4.964 -3.688 4.047 1.00 0.00 C ATOM 234 C ILE A 16 4.642 -2.523 3.133 1.00 0.00 C ATOM 235 O ILE A 16 4.981 -2.530 1.951 1.00 0.00 O ATOM 236 CB ILE A 16 6.415 -3.531 4.541 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.696 -4.506 5.685 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.667 -2.090 4.986 1.00 0.00 C ATOM 239 CD1 ILE A 16 7.210 -5.851 5.221 1.00 0.00 C ATOM 0 H ILE A 16 5.348 -5.146 2.585 1.00 0.00 H new ATOM 0 HA ILE A 16 4.301 -3.685 4.912 1.00 0.00 H new ATOM 0 HB ILE A 16 7.093 -3.763 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.427 -4.060 6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.781 -4.654 6.258 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.696 -1.991 5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.501 -1.415 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.984 -1.835 5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.387 -6.491 6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.471 -6.318 4.570 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.142 -5.715 4.673 1.00 0.00 H new ATOM 251 N LEU A 17 3.999 -1.518 3.700 1.00 0.00 N ATOM 252 CA LEU A 17 3.638 -0.333 2.955 1.00 0.00 C ATOM 253 C LEU A 17 4.418 0.865 3.465 1.00 0.00 C ATOM 254 O LEU A 17 4.235 1.296 4.603 1.00 0.00 O ATOM 255 CB LEU A 17 2.143 -0.064 3.087 1.00 0.00 C ATOM 256 CG LEU A 17 1.472 0.475 1.823 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.319 -0.424 1.407 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.983 1.897 2.042 1.00 0.00 C ATOM 0 H LEU A 17 3.716 -1.503 4.680 1.00 0.00 H new ATOM 0 HA LEU A 17 3.881 -0.496 1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.646 -0.990 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.987 0.649 3.896 1.00 0.00 H new ATOM 0 HG LEU A 17 2.210 0.484 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.147 -0.025 0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.694 -1.428 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.418 -0.465 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.509 2.263 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.261 1.912 2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.828 2.538 2.293 1.00 0.00 H new ATOM 270 N ARG A 18 5.278 1.407 2.618 1.00 0.00 N ATOM 271 CA ARG A 18 6.069 2.565 2.993 1.00 0.00 C ATOM 272 C ARG A 18 5.740 3.735 2.088 1.00 0.00 C ATOM 273 O ARG A 18 5.766 3.609 0.868 1.00 0.00 O ATOM 274 CB ARG A 18 7.561 2.239 2.925 1.00 0.00 C ATOM 275 CG ARG A 18 8.104 1.625 4.205 1.00 0.00 C ATOM 276 CD ARG A 18 9.145 0.558 3.915 1.00 0.00 C ATOM 277 NE ARG A 18 10.296 0.661 4.808 1.00 0.00 N ATOM 278 CZ ARG A 18 10.516 -0.162 5.828 1.00 0.00 C ATOM 279 NH1 ARG A 18 9.665 -1.146 6.086 1.00 0.00 N ATOM 280 NH2 ARG A 18 11.589 -0.001 6.591 1.00 0.00 N ATOM 0 H ARG A 18 5.445 1.065 1.672 1.00 0.00 H new ATOM 0 HA ARG A 18 5.825 2.837 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.738 1.552 2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.115 3.152 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.545 2.405 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.284 1.189 4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.692 -0.428 4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.479 0.648 2.881 1.00 0.00 H new ATOM 0 HE ARG A 18 10.970 1.408 4.639 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.839 -1.273 5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.836 -1.776 6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.245 0.755 6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.758 -0.633 7.374 1.00 0.00 H new ATOM 294 N TRP A 19 5.424 4.875 2.684 1.00 0.00 N ATOM 295 CA TRP A 19 5.085 6.049 1.894 1.00 0.00 C ATOM 296 C TRP A 19 5.381 7.350 2.626 1.00 0.00 C ATOM 297 O TRP A 19 5.415 7.404 3.857 1.00 0.00 O ATOM 298 CB TRP A 19 3.613 6.000 1.469 1.00 0.00 C ATOM 299 CG TRP A 19 2.641 6.336 2.562 1.00 0.00 C ATOM 300 CD1 TRP A 19 1.982 7.519 2.734 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.209 5.477 3.622 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.162 7.446 3.835 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.286 6.204 4.399 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.512 4.164 3.992 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.664 5.661 5.520 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.894 3.626 5.105 1.00 0.00 C ATOM 307 CH2 TRP A 19 0.980 4.373 5.857 1.00 0.00 C ATOM 0 H TRP A 19 5.395 5.012 3.694 1.00 0.00 H new ATOM 0 HA TRP A 19 5.718 6.030 1.007 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.463 6.693 0.641 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.389 5.001 1.094 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.089 8.385 2.098 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.559 8.195 4.176 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.217 3.580 3.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.042 6.235 6.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.120 2.612 5.399 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.514 3.923 6.721 1.00 0.00 H new ATOM 318 N ARG A 20 5.593 8.394 1.832 1.00 0.00 N ATOM 319 CA ARG A 20 5.888 9.727 2.337 1.00 0.00 C ATOM 320 C ARG A 20 5.573 10.759 1.256 1.00 0.00 C ATOM 321 O ARG A 20 5.461 10.411 0.081 1.00 0.00 O ATOM 322 CB ARG A 20 7.357 9.829 2.750 1.00 0.00 C ATOM 323 CG ARG A 20 8.325 9.385 1.665 1.00 0.00 C ATOM 324 CD ARG A 20 8.897 10.570 0.907 1.00 0.00 C ATOM 325 NE ARG A 20 9.002 10.300 -0.524 1.00 0.00 N ATOM 326 CZ ARG A 20 9.966 10.790 -1.300 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.910 11.565 -0.782 1.00 0.00 N ATOM 328 NH2 ARG A 20 9.987 10.502 -2.594 1.00 0.00 N ATOM 0 H ARG A 20 5.564 8.337 0.814 1.00 0.00 H new ATOM 0 HA ARG A 20 5.271 9.921 3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.578 10.861 3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.519 9.222 3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.137 8.813 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.813 8.720 0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.264 11.443 1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.882 10.814 1.304 1.00 0.00 H new ATOM 0 HE ARG A 20 8.296 9.702 -0.954 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.898 11.787 0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.647 11.939 -1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.264 9.905 -2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.726 10.878 -3.188 1.00 0.00 H new ATOM 342 N PRO A 21 5.418 12.041 1.626 1.00 0.00 N ATOM 343 CA PRO A 21 5.106 13.104 0.661 1.00 0.00 C ATOM 344 C PRO A 21 6.149 13.207 -0.445 1.00 0.00 C ATOM 345 O PRO A 21 7.303 13.555 -0.196 1.00 0.00 O ATOM 346 CB PRO A 21 5.106 14.371 1.519 1.00 0.00 C ATOM 347 CG PRO A 21 4.813 13.884 2.892 1.00 0.00 C ATOM 348 CD PRO A 21 5.513 12.562 3.000 1.00 0.00 C ATOM 0 HA PRO A 21 4.163 12.923 0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.068 14.881 1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.352 15.081 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.177 14.584 3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.740 13.775 3.050 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.549 12.676 3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.027 11.903 3.719 1.00 0.00 H new ATOM 356 N LYS A 22 5.728 12.898 -1.668 1.00 0.00 N ATOM 357 CA LYS A 22 6.614 12.949 -2.825 1.00 0.00 C ATOM 358 C LYS A 22 7.164 14.356 -3.029 1.00 0.00 C ATOM 359 O LYS A 22 8.256 14.535 -3.567 1.00 0.00 O ATOM 360 CB LYS A 22 5.865 12.491 -4.079 1.00 0.00 C ATOM 361 CG LYS A 22 6.779 12.077 -5.222 1.00 0.00 C ATOM 362 CD LYS A 22 5.991 11.468 -6.371 1.00 0.00 C ATOM 363 CE LYS A 22 5.340 12.539 -7.231 1.00 0.00 C ATOM 364 NZ LYS A 22 4.025 12.971 -6.680 1.00 0.00 N ATOM 0 H LYS A 22 4.774 12.608 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 22 7.453 12.278 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.220 11.652 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.216 13.298 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.333 12.945 -5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.513 11.357 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.654 10.860 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.224 10.802 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.004 13.400 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.202 12.158 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.285 12.832 -7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.800 12.406 -5.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.071 13.977 -6.421 1.00 0.00 H new ATOM 378 N ASN A 23 6.401 15.352 -2.592 1.00 0.00 N ATOM 379 CA ASN A 23 6.811 16.746 -2.723 1.00 0.00 C ATOM 380 C ASN A 23 7.908 17.083 -1.721 1.00 0.00 C ATOM 381 O ASN A 23 8.828 17.844 -2.024 1.00 0.00 O ATOM 382 CB ASN A 23 5.611 17.673 -2.516 1.00 0.00 C ATOM 383 CG ASN A 23 5.978 19.134 -2.677 1.00 0.00 C ATOM 384 OD1 ASN A 23 6.197 19.844 -1.694 1.00 0.00 O ATOM 385 ND2 ASN A 23 6.047 19.594 -3.921 1.00 0.00 N ATOM 0 H ASN A 23 5.494 15.220 -2.144 1.00 0.00 H new ATOM 0 HA ASN A 23 7.204 16.893 -3.729 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.829 17.416 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.198 17.512 -1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.289 20.570 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.858 18.971 -4.706 1.00 0.00 H new ATOM 392 N SER A 24 7.806 16.510 -0.524 1.00 0.00 N ATOM 393 CA SER A 24 8.790 16.749 0.525 1.00 0.00 C ATOM 394 C SER A 24 9.861 15.662 0.523 1.00 0.00 C ATOM 395 O SER A 24 10.053 14.968 -0.476 1.00 0.00 O ATOM 396 CB SER A 24 8.106 16.807 1.892 1.00 0.00 C ATOM 397 OG SER A 24 8.848 17.602 2.800 1.00 0.00 O ATOM 0 H SER A 24 7.052 15.877 -0.258 1.00 0.00 H new ATOM 0 HA SER A 24 9.270 17.707 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.102 17.216 1.782 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.998 15.798 2.291 1.00 0.00 H new ATOM 0 HG SER A 24 8.389 17.625 3.666 1.00 0.00 H new ATOM 403 N VAL A 25 10.559 15.521 1.647 1.00 0.00 N ATOM 404 CA VAL A 25 11.612 14.522 1.773 1.00 0.00 C ATOM 405 C VAL A 25 11.561 13.838 3.137 1.00 0.00 C ATOM 406 O VAL A 25 11.387 14.494 4.165 1.00 0.00 O ATOM 407 CB VAL A 25 13.005 15.154 1.571 1.00 0.00 C ATOM 408 CG1 VAL A 25 13.146 16.415 2.408 1.00 0.00 C ATOM 409 CG2 VAL A 25 14.105 14.156 1.907 1.00 0.00 C ATOM 0 H VAL A 25 10.413 16.087 2.483 1.00 0.00 H new ATOM 0 HA VAL A 25 11.443 13.777 0.995 1.00 0.00 H new ATOM 0 HB VAL A 25 13.107 15.428 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.135 16.846 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.385 17.136 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.020 16.168 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.078 14.623 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.008 13.844 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.017 13.285 1.257 1.00 0.00 H new ATOM 419 N GLY A 26 11.720 12.517 3.137 1.00 0.00 N ATOM 420 CA GLY A 26 11.696 11.763 4.379 1.00 0.00 C ATOM 421 C GLY A 26 10.300 11.618 4.954 1.00 0.00 C ATOM 422 O GLY A 26 9.308 11.834 4.257 1.00 0.00 O ATOM 0 H GLY A 26 11.865 11.955 2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.117 10.773 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.335 12.257 5.111 1.00 0.00 H new ATOM 426 N ARG A 27 10.230 11.253 6.232 1.00 0.00 N ATOM 427 CA ARG A 27 8.954 11.075 6.922 1.00 0.00 C ATOM 428 C ARG A 27 8.117 9.974 6.272 1.00 0.00 C ATOM 429 O ARG A 27 6.984 10.209 5.848 1.00 0.00 O ATOM 430 CB ARG A 27 8.171 12.391 6.942 1.00 0.00 C ATOM 431 CG ARG A 27 8.428 13.231 8.183 1.00 0.00 C ATOM 432 CD ARG A 27 7.164 13.930 8.657 1.00 0.00 C ATOM 433 NE ARG A 27 6.021 13.022 8.711 1.00 0.00 N ATOM 434 CZ ARG A 27 4.840 13.348 9.227 1.00 0.00 C ATOM 435 NH1 ARG A 27 4.643 14.560 9.729 1.00 0.00 N ATOM 436 NH2 ARG A 27 3.854 12.463 9.241 1.00 0.00 N ATOM 0 H ARG A 27 11.048 11.074 6.814 1.00 0.00 H new ATOM 0 HA ARG A 27 9.169 10.773 7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.432 12.973 6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.105 12.172 6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.814 12.595 8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.196 13.974 7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.335 14.356 9.646 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.936 14.759 7.987 1.00 0.00 H new ATOM 0 HE ARG A 27 6.136 12.083 8.330 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.399 15.245 9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.736 14.807 10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.001 11.530 8.856 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.948 12.715 9.637 1.00 0.00 H new ATOM 450 N TRP A 28 8.679 8.770 6.208 1.00 0.00 N ATOM 451 CA TRP A 28 7.983 7.628 5.621 1.00 0.00 C ATOM 452 C TRP A 28 6.982 7.044 6.614 1.00 0.00 C ATOM 453 O TRP A 28 6.866 7.520 7.743 1.00 0.00 O ATOM 454 CB TRP A 28 8.983 6.545 5.204 1.00 0.00 C ATOM 455 CG TRP A 28 9.950 6.988 4.147 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.001 7.846 4.303 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.961 6.587 2.771 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.663 8.006 3.109 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.043 7.242 2.154 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.160 5.739 2.002 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.343 7.075 0.803 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.458 5.573 0.663 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.542 6.237 0.075 1.00 0.00 C ATOM 0 H TRP A 28 9.615 8.560 6.555 1.00 0.00 H new ATOM 0 HA TRP A 28 7.447 7.976 4.738 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.542 6.222 6.082 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.433 5.677 4.840 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.273 8.329 5.230 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.481 8.596 2.958 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.322 5.222 2.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.177 7.588 0.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.845 4.920 0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.750 6.085 -0.974 1.00 0.00 H new ATOM 474 N LYS A 29 6.269 6.003 6.190 1.00 0.00 N ATOM 475 CA LYS A 29 5.290 5.345 7.045 1.00 0.00 C ATOM 476 C LYS A 29 5.320 3.847 6.792 1.00 0.00 C ATOM 477 O LYS A 29 5.559 3.420 5.668 1.00 0.00 O ATOM 478 CB LYS A 29 3.890 5.901 6.783 1.00 0.00 C ATOM 479 CG LYS A 29 3.722 7.352 7.201 1.00 0.00 C ATOM 480 CD LYS A 29 2.420 7.568 7.952 1.00 0.00 C ATOM 481 CE LYS A 29 2.663 8.190 9.317 1.00 0.00 C ATOM 482 NZ LYS A 29 1.615 7.800 10.300 1.00 0.00 N ATOM 0 H LYS A 29 6.353 5.598 5.258 1.00 0.00 H new ATOM 0 HA LYS A 29 5.542 5.537 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.665 5.810 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.161 5.291 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.560 7.650 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.744 7.991 6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.764 8.214 7.368 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.905 6.615 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.641 7.882 9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.686 9.276 9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.817 8.245 11.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.685 8.116 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.610 6.766 10.410 1.00 0.00 H new ATOM 496 N GLU A 30 5.101 3.052 7.835 1.00 0.00 N ATOM 497 CA GLU A 30 5.137 1.598 7.693 1.00 0.00 C ATOM 498 C GLU A 30 3.811 0.948 8.074 1.00 0.00 C ATOM 499 O GLU A 30 3.269 1.189 9.153 1.00 0.00 O ATOM 500 CB GLU A 30 6.260 1.007 8.550 1.00 0.00 C ATOM 501 CG GLU A 30 7.389 1.982 8.844 1.00 0.00 C ATOM 502 CD GLU A 30 7.501 2.319 10.320 1.00 0.00 C ATOM 503 OE1 GLU A 30 6.517 2.097 11.056 1.00 0.00 O ATOM 504 OE2 GLU A 30 8.574 2.804 10.737 1.00 0.00 O ATOM 0 H GLU A 30 4.899 3.384 8.778 1.00 0.00 H new ATOM 0 HA GLU A 30 5.324 1.386 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.839 0.659 9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.670 0.134 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.331 1.555 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.229 2.899 8.277 1.00 0.00 H new ATOM 511 N ALA A 31 3.311 0.100 7.180 1.00 0.00 N ATOM 512 CA ALA A 31 2.067 -0.625 7.402 1.00 0.00 C ATOM 513 C ALA A 31 2.192 -2.047 6.868 1.00 0.00 C ATOM 514 O ALA A 31 2.288 -2.258 5.660 1.00 0.00 O ATOM 515 CB ALA A 31 0.901 0.097 6.738 1.00 0.00 C ATOM 0 H ALA A 31 3.756 -0.103 6.285 1.00 0.00 H new ATOM 0 HA ALA A 31 1.872 -0.669 8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.020 -0.459 6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.806 1.098 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.081 0.169 5.665 1.00 0.00 H new ATOM 521 N THR A 32 2.209 -3.020 7.772 1.00 0.00 N ATOM 522 CA THR A 32 2.348 -4.417 7.378 1.00 0.00 C ATOM 523 C THR A 32 1.006 -5.133 7.305 1.00 0.00 C ATOM 524 O THR A 32 0.263 -5.196 8.285 1.00 0.00 O ATOM 525 CB THR A 32 3.270 -5.193 8.337 1.00 0.00 C ATOM 526 OG1 THR A 32 4.396 -4.383 8.699 1.00 0.00 O ATOM 527 CG2 THR A 32 3.754 -6.486 7.689 1.00 0.00 C ATOM 0 H THR A 32 2.129 -2.869 8.778 1.00 0.00 H new ATOM 0 HA THR A 32 2.793 -4.398 6.383 1.00 0.00 H new ATOM 0 HB THR A 32 2.702 -5.442 9.233 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.976 -4.883 9.310 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.404 -7.019 8.383 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.897 -7.112 7.441 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.308 -6.252 6.780 1.00 0.00 H new ATOM 535 N ILE A 33 0.720 -5.688 6.135 1.00 0.00 N ATOM 536 CA ILE A 33 -0.512 -6.425 5.906 1.00 0.00 C ATOM 537 C ILE A 33 -0.192 -7.842 5.433 1.00 0.00 C ATOM 538 O ILE A 33 0.308 -8.032 4.322 1.00 0.00 O ATOM 539 CB ILE A 33 -1.413 -5.736 4.856 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.751 -4.467 4.312 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.771 -5.409 5.458 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.315 -4.584 2.869 1.00 0.00 C ATOM 0 H ILE A 33 1.334 -5.640 5.322 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.052 -6.454 6.853 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.554 -6.427 4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.448 -3.634 4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.117 -4.227 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.395 -4.924 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.252 -6.329 5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.640 -4.740 6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.145 -3.649 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.407 -5.395 2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.182 -4.793 2.243 1.00 0.00 H new ATOM 554 N PRO A 34 -0.459 -8.864 6.270 1.00 0.00 N ATOM 555 CA PRO A 34 -0.184 -10.259 5.914 1.00 0.00 C ATOM 556 C PRO A 34 -1.021 -10.710 4.724 1.00 0.00 C ATOM 557 O PRO A 34 -2.208 -11.007 4.864 1.00 0.00 O ATOM 558 CB PRO A 34 -0.568 -11.047 7.173 1.00 0.00 C ATOM 559 CG PRO A 34 -0.629 -10.036 8.268 1.00 0.00 C ATOM 560 CD PRO A 34 -1.039 -8.746 7.617 1.00 0.00 C ATOM 0 HA PRO A 34 0.854 -10.408 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.528 -11.547 7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.168 -11.820 7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.346 -10.332 9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.338 -9.935 8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.123 -8.636 7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.648 -7.880 8.152 1.00 0.00 H new ATOM 568 N GLY A 35 -0.400 -10.748 3.549 1.00 0.00 N ATOM 569 CA GLY A 35 -1.110 -11.150 2.349 1.00 0.00 C ATOM 570 C GLY A 35 -2.121 -10.108 1.917 1.00 0.00 C ATOM 571 O GLY A 35 -1.791 -9.184 1.173 1.00 0.00 O ATOM 0 H GLY A 35 0.581 -10.508 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.395 -11.319 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.618 -12.097 2.528 1.00 0.00 H new ATOM 575 N HIS A 36 -3.356 -10.253 2.395 1.00 0.00 N ATOM 576 CA HIS A 36 -4.424 -9.314 2.065 1.00 0.00 C ATOM 577 C HIS A 36 -5.719 -9.689 2.778 1.00 0.00 C ATOM 578 O HIS A 36 -6.429 -10.602 2.354 1.00 0.00 O ATOM 579 CB HIS A 36 -4.658 -9.273 0.553 1.00 0.00 C ATOM 580 CG HIS A 36 -4.804 -7.886 0.008 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.885 -7.528 -0.760 1.00 0.00 N ATOM 582 CD2 HIS A 36 -3.986 -6.814 0.147 1.00 0.00 C ATOM 583 CE1 HIS A 36 -5.706 -6.257 -1.069 1.00 0.00 C ATOM 584 NE2 HIS A 36 -4.568 -5.781 -0.542 1.00 0.00 N ATOM 0 H HIS A 36 -3.641 -11.013 3.013 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.114 -8.325 2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.826 -9.766 0.051 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.556 -9.844 0.317 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.056 -6.780 0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.389 -5.675 -1.670 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.205 -4.832 -0.636 1.00 0.00 H new ATOM 592 N LEU A 37 -6.025 -8.979 3.861 1.00 0.00 N ATOM 593 CA LEU A 37 -7.241 -9.240 4.623 1.00 0.00 C ATOM 594 C LEU A 37 -8.439 -8.575 3.956 1.00 0.00 C ATOM 595 O LEU A 37 -9.555 -9.093 3.998 1.00 0.00 O ATOM 596 CB LEU A 37 -7.100 -8.731 6.064 1.00 0.00 C ATOM 597 CG LEU A 37 -5.778 -9.067 6.774 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.268 -10.443 6.372 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.731 -8.005 6.479 1.00 0.00 C ATOM 0 H LEU A 37 -5.449 -8.221 4.229 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.400 -10.318 4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.221 -7.648 6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.920 -9.140 6.654 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.970 -9.082 7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.332 -10.650 6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.007 -11.198 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.099 -10.468 5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.802 -8.259 6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.554 -7.957 5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.086 -7.036 6.831 1.00 0.00 H new ATOM 611 N ASN A 38 -8.190 -7.426 3.337 1.00 0.00 N ATOM 612 CA ASN A 38 -9.234 -6.675 2.648 1.00 0.00 C ATOM 613 C ASN A 38 -8.634 -5.484 1.910 1.00 0.00 C ATOM 614 O ASN A 38 -7.414 -5.380 1.773 1.00 0.00 O ATOM 615 CB ASN A 38 -10.299 -6.197 3.640 1.00 0.00 C ATOM 616 CG ASN A 38 -9.875 -4.955 4.401 1.00 0.00 C ATOM 617 OD1 ASN A 38 -10.624 -3.984 4.493 1.00 0.00 O ATOM 618 ND2 ASN A 38 -8.668 -4.982 4.955 1.00 0.00 N ATOM 0 H ASN A 38 -7.268 -6.992 3.298 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.707 -7.336 1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.224 -5.990 3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.514 -6.997 4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.330 -4.176 5.481 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.079 -5.809 4.854 1.00 0.00 H new ATOM 625 N SER A 39 -9.493 -4.586 1.438 1.00 0.00 N ATOM 626 CA SER A 39 -9.038 -3.403 0.719 1.00 0.00 C ATOM 627 C SER A 39 -8.495 -2.362 1.691 1.00 0.00 C ATOM 628 O SER A 39 -9.258 -1.705 2.400 1.00 0.00 O ATOM 629 CB SER A 39 -10.183 -2.807 -0.102 1.00 0.00 C ATOM 630 OG SER A 39 -10.933 -3.823 -0.748 1.00 0.00 O ATOM 0 H SER A 39 -10.505 -4.655 1.541 1.00 0.00 H new ATOM 0 HA SER A 39 -8.236 -3.700 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.837 -2.226 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.781 -2.119 -0.846 1.00 0.00 H new ATOM 0 HG SER A 39 -11.659 -3.415 -1.264 1.00 0.00 H new ATOM 636 N TYR A 40 -7.173 -2.220 1.724 1.00 0.00 N ATOM 637 CA TYR A 40 -6.532 -1.261 2.617 1.00 0.00 C ATOM 638 C TYR A 40 -6.100 -0.010 1.860 1.00 0.00 C ATOM 639 O TYR A 40 -5.165 -0.050 1.058 1.00 0.00 O ATOM 640 CB TYR A 40 -5.323 -1.897 3.306 1.00 0.00 C ATOM 641 CG TYR A 40 -5.173 -1.495 4.757 1.00 0.00 C ATOM 642 CD1 TYR A 40 -5.227 -0.159 5.137 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.979 -2.452 5.747 1.00 0.00 C ATOM 644 CE1 TYR A 40 -5.094 0.212 6.461 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.843 -2.087 7.074 1.00 0.00 C ATOM 646 CZ TYR A 40 -4.902 -0.754 7.424 1.00 0.00 C ATOM 647 OH TYR A 40 -4.767 -0.387 8.744 1.00 0.00 O ATOM 0 H TYR A 40 -6.527 -2.755 1.144 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.261 -0.971 3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.410 -2.982 3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.419 -1.619 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.375 0.602 4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.934 -3.496 5.475 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.140 1.254 6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.691 -2.841 7.832 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.640 -1.188 9.295 1.00 0.00 H new ATOM 657 N THR A 41 -6.783 1.099 2.123 1.00 0.00 N ATOM 658 CA THR A 41 -6.469 2.364 1.470 1.00 0.00 C ATOM 659 C THR A 41 -6.287 3.478 2.494 1.00 0.00 C ATOM 660 O THR A 41 -7.147 3.696 3.347 1.00 0.00 O ATOM 661 CB THR A 41 -7.570 2.768 0.474 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.847 2.326 0.949 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.302 2.173 -0.899 1.00 0.00 C ATOM 0 H THR A 41 -7.558 1.147 2.784 1.00 0.00 H new ATOM 0 HA THR A 41 -5.535 2.219 0.926 1.00 0.00 H new ATOM 0 HB THR A 41 -7.570 3.855 0.388 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.542 2.589 0.310 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.094 2.472 -1.586 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.343 2.534 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.277 1.086 -0.826 1.00 0.00 H new ATOM 671 N ILE A 42 -5.162 4.182 2.402 1.00 0.00 N ATOM 672 CA ILE A 42 -4.869 5.275 3.322 1.00 0.00 C ATOM 673 C ILE A 42 -5.556 6.563 2.876 1.00 0.00 C ATOM 674 O ILE A 42 -5.348 7.036 1.759 1.00 0.00 O ATOM 675 CB ILE A 42 -3.347 5.516 3.441 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.703 4.422 4.293 1.00 0.00 C ATOM 677 CG2 ILE A 42 -3.059 6.888 4.036 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.626 3.646 3.568 1.00 0.00 C ATOM 0 H ILE A 42 -4.440 4.015 1.701 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.255 4.986 4.300 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.917 5.482 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.274 4.875 5.187 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.476 3.730 4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.981 7.034 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.487 7.659 3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.503 6.954 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.214 2.887 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.054 3.164 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.833 4.327 3.259 1.00 0.00 H new ATOM 690 N LYS A 43 -6.374 7.124 3.762 1.00 0.00 N ATOM 691 CA LYS A 43 -7.094 8.357 3.469 1.00 0.00 C ATOM 692 C LYS A 43 -6.946 9.354 4.614 1.00 0.00 C ATOM 693 O LYS A 43 -7.296 9.057 5.757 1.00 0.00 O ATOM 694 CB LYS A 43 -8.575 8.061 3.226 1.00 0.00 C ATOM 695 CG LYS A 43 -8.831 7.171 2.020 1.00 0.00 C ATOM 696 CD LYS A 43 -10.161 7.496 1.363 1.00 0.00 C ATOM 697 CE LYS A 43 -10.647 6.349 0.489 1.00 0.00 C ATOM 698 NZ LYS A 43 -12.092 6.063 0.701 1.00 0.00 N ATOM 0 H LYS A 43 -6.554 6.742 4.691 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.665 8.796 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.991 7.584 4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.107 9.003 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.026 7.296 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.822 6.126 2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.905 7.710 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.059 8.397 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.475 6.594 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.064 5.454 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.384 5.276 0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.253 5.805 1.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.651 6.909 0.468 1.00 0.00 H new ATOM 712 N GLY A 44 -6.426 10.537 4.300 1.00 0.00 N ATOM 713 CA GLY A 44 -6.242 11.558 5.315 1.00 0.00 C ATOM 714 C GLY A 44 -5.012 12.410 5.069 1.00 0.00 C ATOM 715 O GLY A 44 -4.447 12.978 6.003 1.00 0.00 O ATOM 0 H GLY A 44 -6.129 10.806 3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.123 12.199 5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.161 11.083 6.293 1.00 0.00 H new ATOM 719 N LEU A 45 -4.598 12.499 3.808 1.00 0.00 N ATOM 720 CA LEU A 45 -3.428 13.288 3.441 1.00 0.00 C ATOM 721 C LEU A 45 -3.761 14.780 3.442 1.00 0.00 C ATOM 722 O LEU A 45 -4.488 15.258 4.313 1.00 0.00 O ATOM 723 CB LEU A 45 -2.903 12.856 2.066 1.00 0.00 C ATOM 724 CG LEU A 45 -2.351 11.427 1.987 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.525 11.089 3.220 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.483 10.429 1.817 1.00 0.00 C ATOM 0 H LEU A 45 -5.056 12.034 3.024 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.648 13.112 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.711 12.955 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.117 13.547 1.763 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.698 11.366 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.147 10.070 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.687 11.782 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.149 11.172 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.074 9.420 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.161 10.500 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.028 10.649 0.899 1.00 0.00 H new ATOM 738 N LYS A 46 -3.230 15.514 2.464 1.00 0.00 N ATOM 739 CA LYS A 46 -3.483 16.949 2.368 1.00 0.00 C ATOM 740 C LYS A 46 -3.628 17.376 0.910 1.00 0.00 C ATOM 741 O LYS A 46 -3.066 16.749 0.012 1.00 0.00 O ATOM 742 CB LYS A 46 -2.356 17.744 3.036 1.00 0.00 C ATOM 743 CG LYS A 46 -1.446 16.905 3.923 1.00 0.00 C ATOM 744 CD LYS A 46 -0.072 17.530 4.078 1.00 0.00 C ATOM 745 CE LYS A 46 -0.152 18.931 4.666 1.00 0.00 C ATOM 746 NZ LYS A 46 -0.694 18.919 6.053 1.00 0.00 N ATOM 0 H LYS A 46 -2.626 15.140 1.732 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.417 17.160 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.753 18.220 2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.794 18.542 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.904 16.788 4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.345 15.907 3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.543 16.901 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.420 17.571 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.840 19.382 4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.784 19.555 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.623 19.873 6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.691 18.624 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.147 18.252 6.634 1.00 0.00 H new ATOM 760 N PRO A 47 -4.393 18.454 0.652 1.00 0.00 N ATOM 761 CA PRO A 47 -4.613 18.958 -0.706 1.00 0.00 C ATOM 762 C PRO A 47 -3.406 19.714 -1.251 1.00 0.00 C ATOM 763 O PRO A 47 -2.786 20.509 -0.543 1.00 0.00 O ATOM 764 CB PRO A 47 -5.803 19.900 -0.538 1.00 0.00 C ATOM 765 CG PRO A 47 -5.691 20.396 0.861 1.00 0.00 C ATOM 766 CD PRO A 47 -5.108 19.262 1.662 1.00 0.00 C ATOM 0 HA PRO A 47 -4.783 18.151 -1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.764 20.721 -1.254 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.747 19.380 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.052 21.278 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.667 20.687 1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.432 19.624 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.885 18.683 2.162 1.00 0.00 H new ATOM 774 N GLY A 48 -3.079 19.463 -2.516 1.00 0.00 N ATOM 775 CA GLY A 48 -1.951 20.128 -3.140 1.00 0.00 C ATOM 776 C GLY A 48 -0.667 19.328 -3.032 1.00 0.00 C ATOM 777 O GLY A 48 0.305 19.606 -3.735 1.00 0.00 O ATOM 0 H GLY A 48 -3.577 18.809 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.176 20.306 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.807 21.103 -2.675 1.00 0.00 H new ATOM 781 N VAL A 49 -0.658 18.335 -2.148 1.00 0.00 N ATOM 782 CA VAL A 49 0.520 17.498 -1.951 1.00 0.00 C ATOM 783 C VAL A 49 0.219 16.034 -2.257 1.00 0.00 C ATOM 784 O VAL A 49 -0.801 15.495 -1.827 1.00 0.00 O ATOM 785 CB VAL A 49 1.054 17.609 -0.510 1.00 0.00 C ATOM 786 CG1 VAL A 49 -0.040 17.280 0.494 1.00 0.00 C ATOM 787 CG2 VAL A 49 2.261 16.701 -0.309 1.00 0.00 C ATOM 0 H VAL A 49 -1.453 18.091 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 49 1.280 17.860 -2.643 1.00 0.00 H new ATOM 0 HB VAL A 49 1.373 18.638 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.357 17.364 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.869 17.977 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.394 16.263 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.621 16.796 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.974 15.667 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.053 16.990 -1.000 1.00 0.00 H new ATOM 797 N VAL A 50 1.122 15.393 -2.993 1.00 0.00 N ATOM 798 CA VAL A 50 0.962 13.988 -3.344 1.00 0.00 C ATOM 799 C VAL A 50 1.886 13.121 -2.501 1.00 0.00 C ATOM 800 O VAL A 50 3.027 13.498 -2.232 1.00 0.00 O ATOM 801 CB VAL A 50 1.250 13.738 -4.837 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.155 12.254 -5.159 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.290 14.535 -5.702 1.00 0.00 C ATOM 0 H VAL A 50 1.971 15.825 -3.357 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.076 13.721 -3.144 1.00 0.00 H new ATOM 0 HB VAL A 50 2.266 14.070 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.361 12.097 -6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.883 11.705 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.152 11.895 -4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.507 14.348 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.734 14.233 -5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.407 15.598 -5.491 1.00 0.00 H new ATOM 813 N TYR A 51 1.390 11.963 -2.079 1.00 0.00 N ATOM 814 CA TYR A 51 2.182 11.058 -1.259 1.00 0.00 C ATOM 815 C TYR A 51 2.652 9.853 -2.065 1.00 0.00 C ATOM 816 O TYR A 51 1.842 9.079 -2.578 1.00 0.00 O ATOM 817 CB TYR A 51 1.371 10.596 -0.049 1.00 0.00 C ATOM 818 CG TYR A 51 1.217 11.659 1.018 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.478 12.811 0.777 1.00 0.00 C ATOM 820 CD2 TYR A 51 1.810 11.509 2.266 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.334 13.783 1.749 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.670 12.477 3.242 1.00 0.00 C ATOM 823 CZ TYR A 51 0.932 13.611 2.980 1.00 0.00 C ATOM 824 OH TYR A 51 0.791 14.576 3.950 1.00 0.00 O ATOM 0 H TYR A 51 0.449 11.632 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 51 3.063 11.600 -0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.382 10.282 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.852 9.721 0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.008 12.949 -0.186 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.389 10.622 2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.244 14.673 1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.137 12.345 4.207 1.00 0.00 H new ATOM 0 HH TYR A 51 1.273 14.301 4.758 1.00 0.00 H new ATOM 834 N GLU A 52 3.968 9.699 -2.164 1.00 0.00 N ATOM 835 CA GLU A 52 4.555 8.582 -2.897 1.00 0.00 C ATOM 836 C GLU A 52 4.657 7.362 -1.988 1.00 0.00 C ATOM 837 O GLU A 52 5.008 7.485 -0.817 1.00 0.00 O ATOM 838 CB GLU A 52 5.933 8.975 -3.456 1.00 0.00 C ATOM 839 CG GLU A 52 7.100 8.174 -2.893 1.00 0.00 C ATOM 840 CD GLU A 52 7.508 7.025 -3.796 1.00 0.00 C ATOM 841 OE1 GLU A 52 6.755 6.031 -3.871 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.580 7.120 -4.428 1.00 0.00 O ATOM 0 H GLU A 52 4.649 10.333 -1.746 1.00 0.00 H new ATOM 0 HA GLU A 52 3.912 8.329 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.918 8.857 -4.539 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.104 10.032 -3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.953 8.836 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.828 7.782 -1.913 1.00 0.00 H new ATOM 849 N GLY A 53 4.336 6.188 -2.521 1.00 0.00 N ATOM 850 CA GLY A 53 4.391 4.984 -1.713 1.00 0.00 C ATOM 851 C GLY A 53 4.863 3.758 -2.470 1.00 0.00 C ATOM 852 O GLY A 53 4.581 3.595 -3.653 1.00 0.00 O ATOM 0 H GLY A 53 4.042 6.049 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.057 5.156 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.400 4.787 -1.304 1.00 0.00 H new ATOM 856 N GLN A 54 5.573 2.889 -1.761 1.00 0.00 N ATOM 857 CA GLN A 54 6.088 1.650 -2.327 1.00 0.00 C ATOM 858 C GLN A 54 5.793 0.497 -1.377 1.00 0.00 C ATOM 859 O GLN A 54 5.953 0.631 -0.164 1.00 0.00 O ATOM 860 CB GLN A 54 7.594 1.758 -2.566 1.00 0.00 C ATOM 861 CG GLN A 54 8.223 2.955 -1.878 1.00 0.00 C ATOM 862 CD GLN A 54 9.723 2.813 -1.711 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.202 2.304 -0.698 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.475 3.265 -2.708 1.00 0.00 N ATOM 0 H GLN A 54 5.808 3.024 -0.778 1.00 0.00 H new ATOM 0 HA GLN A 54 5.599 1.466 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.078 0.848 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.782 1.823 -3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.010 3.854 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.764 3.089 -0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.036 3.680 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.491 3.197 -2.652 1.00 0.00 H new ATOM 873 N LEU A 55 5.351 -0.628 -1.921 1.00 0.00 N ATOM 874 CA LEU A 55 5.025 -1.783 -1.094 1.00 0.00 C ATOM 875 C LEU A 55 6.132 -2.830 -1.132 1.00 0.00 C ATOM 876 O LEU A 55 6.281 -3.543 -2.120 1.00 0.00 O ATOM 877 CB LEU A 55 3.710 -2.410 -1.563 1.00 0.00 C ATOM 878 CG LEU A 55 2.482 -2.057 -0.723 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.213 -2.195 -1.549 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.410 -2.941 0.513 1.00 0.00 C ATOM 0 H LEU A 55 5.211 -0.766 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 55 4.921 -1.435 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.526 -2.102 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.826 -3.494 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 55 2.573 -1.020 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.349 -1.940 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.261 -1.522 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.117 -3.222 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.530 -2.676 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.343 -3.986 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.306 -2.796 1.117 1.00 0.00 H new ATOM 892 N ILE A 56 6.887 -2.937 -0.037 1.00 0.00 N ATOM 893 CA ILE A 56 7.961 -3.920 0.058 1.00 0.00 C ATOM 894 C ILE A 56 7.453 -5.181 0.742 1.00 0.00 C ATOM 895 O ILE A 56 6.991 -5.138 1.880 1.00 0.00 O ATOM 896 CB ILE A 56 9.179 -3.374 0.824 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.737 -2.141 0.111 1.00 0.00 C ATOM 898 CG2 ILE A 56 10.253 -4.449 0.954 1.00 0.00 C ATOM 899 CD1 ILE A 56 9.373 -0.838 0.786 1.00 0.00 C ATOM 0 H ILE A 56 6.773 -2.355 0.793 1.00 0.00 H new ATOM 0 HA ILE A 56 8.282 -4.150 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 56 8.862 -3.085 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.823 -2.222 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.367 -2.126 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.107 -4.046 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.848 -5.304 1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.572 -4.766 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.802 -0.006 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.288 -0.734 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.766 -0.833 1.803 1.00 0.00 H new ATOM 911 N SER A 57 7.515 -6.297 0.028 1.00 0.00 N ATOM 912 CA SER A 57 7.033 -7.566 0.544 1.00 0.00 C ATOM 913 C SER A 57 8.171 -8.479 0.981 1.00 0.00 C ATOM 914 O SER A 57 9.121 -8.711 0.236 1.00 0.00 O ATOM 915 CB SER A 57 6.200 -8.263 -0.527 1.00 0.00 C ATOM 916 OG SER A 57 4.999 -8.780 0.014 1.00 0.00 O ATOM 0 H SER A 57 7.898 -6.346 -0.916 1.00 0.00 H new ATOM 0 HA SER A 57 6.424 -7.358 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.968 -7.559 -1.326 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.779 -9.072 -0.972 1.00 0.00 H new ATOM 0 HG SER A 57 4.288 -8.110 -0.068 1.00 0.00 H new ATOM 922 N ILE A 58 8.045 -9.006 2.191 1.00 0.00 N ATOM 923 CA ILE A 58 9.041 -9.917 2.743 1.00 0.00 C ATOM 924 C ILE A 58 8.454 -11.316 2.910 1.00 0.00 C ATOM 925 O ILE A 58 7.385 -11.485 3.500 1.00 0.00 O ATOM 926 CB ILE A 58 9.571 -9.422 4.103 1.00 0.00 C ATOM 927 CG1 ILE A 58 10.040 -7.969 3.991 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.704 -10.318 4.587 1.00 0.00 C ATOM 929 CD1 ILE A 58 10.442 -7.354 5.316 1.00 0.00 C ATOM 0 H ILE A 58 7.259 -8.818 2.813 1.00 0.00 H new ATOM 0 HA ILE A 58 9.872 -9.951 2.039 1.00 0.00 H new ATOM 0 HB ILE A 58 8.763 -9.468 4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.887 -7.922 3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.241 -7.372 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.068 -9.956 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.338 -11.339 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.517 -10.301 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.763 -6.324 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.591 -7.368 5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.262 -7.927 5.749 1.00 0.00 H new ATOM 941 N GLN A 59 9.158 -12.315 2.385 1.00 0.00 N ATOM 942 CA GLN A 59 8.705 -13.701 2.474 1.00 0.00 C ATOM 943 C GLN A 59 9.677 -14.538 3.299 1.00 0.00 C ATOM 944 O GLN A 59 10.667 -14.025 3.820 1.00 0.00 O ATOM 945 CB GLN A 59 8.550 -14.309 1.077 1.00 0.00 C ATOM 946 CG GLN A 59 9.348 -13.590 0.001 1.00 0.00 C ATOM 947 CD GLN A 59 9.133 -14.177 -1.380 1.00 0.00 C ATOM 948 OE1 GLN A 59 8.924 -13.450 -2.352 1.00 0.00 O ATOM 949 NE2 GLN A 59 9.182 -15.502 -1.476 1.00 0.00 N ATOM 0 H GLN A 59 10.043 -12.192 1.894 1.00 0.00 H new ATOM 0 HA GLN A 59 7.734 -13.704 2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.861 -15.353 1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.495 -14.298 0.802 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.069 -12.536 -0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.408 -13.636 0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.358 -16.067 -0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.044 -15.953 -2.380 1.00 0.00 H new ATOM 958 N GLN A 60 9.385 -15.830 3.413 1.00 0.00 N ATOM 959 CA GLN A 60 10.230 -16.743 4.175 1.00 0.00 C ATOM 960 C GLN A 60 11.530 -17.035 3.433 1.00 0.00 C ATOM 961 O GLN A 60 12.442 -17.655 3.981 1.00 0.00 O ATOM 962 CB GLN A 60 9.484 -18.050 4.456 1.00 0.00 C ATOM 963 CG GLN A 60 8.819 -18.649 3.227 1.00 0.00 C ATOM 964 CD GLN A 60 8.492 -20.120 3.399 1.00 0.00 C ATOM 965 OE1 GLN A 60 8.391 -20.619 4.521 1.00 0.00 O ATOM 966 NE2 GLN A 60 8.327 -20.823 2.285 1.00 0.00 N ATOM 0 H GLN A 60 8.569 -16.269 2.987 1.00 0.00 H new ATOM 0 HA GLN A 60 10.476 -16.262 5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.184 -18.776 4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.725 -17.869 5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.903 -18.100 3.010 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.476 -18.525 2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.420 -20.368 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.107 -21.818 2.337 1.00 0.00 H new ATOM 975 N TYR A 61 11.611 -16.584 2.185 1.00 0.00 N ATOM 976 CA TYR A 61 12.802 -16.796 1.371 1.00 0.00 C ATOM 977 C TYR A 61 13.737 -15.592 1.449 1.00 0.00 C ATOM 978 O TYR A 61 14.840 -15.615 0.902 1.00 0.00 O ATOM 979 CB TYR A 61 12.416 -17.065 -0.084 1.00 0.00 C ATOM 980 CG TYR A 61 12.806 -18.445 -0.567 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.960 -19.531 -0.388 1.00 0.00 C ATOM 982 CD2 TYR A 61 14.024 -18.660 -1.200 1.00 0.00 C ATOM 983 CE1 TYR A 61 12.314 -20.793 -0.825 1.00 0.00 C ATOM 984 CE2 TYR A 61 14.386 -19.919 -1.641 1.00 0.00 C ATOM 985 CZ TYR A 61 13.528 -20.981 -1.451 1.00 0.00 C ATOM 986 OH TYR A 61 13.887 -22.237 -1.887 1.00 0.00 O ATOM 0 H TYR A 61 10.866 -16.069 1.716 1.00 0.00 H new ATOM 0 HA TYR A 61 13.327 -17.667 1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.339 -16.941 -0.195 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.890 -16.318 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 61 11.008 -19.387 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 61 14.699 -17.830 -1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.644 -21.627 -0.677 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.336 -20.070 -2.132 1.00 0.00 H new ATOM 0 HH TYR A 61 14.771 -22.197 -2.307 1.00 0.00 H new ATOM 996 N GLY A 62 13.289 -14.546 2.137 1.00 0.00 N ATOM 997 CA GLY A 62 14.096 -13.349 2.282 1.00 0.00 C ATOM 998 C GLY A 62 14.108 -12.490 1.032 1.00 0.00 C ATOM 999 O GLY A 62 15.097 -11.816 0.747 1.00 0.00 O ATOM 0 H GLY A 62 12.380 -14.507 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.717 -12.760 3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.118 -13.634 2.531 1.00 0.00 H new ATOM 1003 N HIS A 63 13.007 -12.510 0.286 1.00 0.00 N ATOM 1004 CA HIS A 63 12.902 -11.721 -0.937 1.00 0.00 C ATOM 1005 C HIS A 63 12.349 -10.333 -0.638 1.00 0.00 C ATOM 1006 O HIS A 63 12.083 -9.998 0.516 1.00 0.00 O ATOM 1007 CB HIS A 63 12.009 -12.428 -1.956 1.00 0.00 C ATOM 1008 CG HIS A 63 12.757 -13.361 -2.857 1.00 0.00 C ATOM 1009 ND1 HIS A 63 12.784 -13.175 -4.218 1.00 0.00 N ATOM 1010 CD2 HIS A 63 13.488 -14.458 -2.546 1.00 0.00 C ATOM 1011 CE1 HIS A 63 13.526 -14.154 -4.703 1.00 0.00 C ATOM 1012 NE2 HIS A 63 13.975 -14.959 -3.726 1.00 0.00 N ATOM 0 H HIS A 63 12.178 -13.062 0.506 1.00 0.00 H new ATOM 0 HA HIS A 63 13.902 -11.615 -1.357 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.238 -12.987 -1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.500 -11.679 -2.563 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.655 -14.861 -1.558 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.744 -14.290 -5.752 1.00 0.00 H new ATOM 0 HE2 HIS A 63 14.564 -15.784 -3.840 1.00 0.00 H new ATOM 1020 N GLN A 64 12.180 -9.529 -1.683 1.00 0.00 N ATOM 1021 CA GLN A 64 11.660 -8.176 -1.521 1.00 0.00 C ATOM 1022 C GLN A 64 10.868 -7.730 -2.747 1.00 0.00 C ATOM 1023 O GLN A 64 11.444 -7.389 -3.781 1.00 0.00 O ATOM 1024 CB GLN A 64 12.807 -7.197 -1.260 1.00 0.00 C ATOM 1025 CG GLN A 64 13.300 -7.206 0.179 1.00 0.00 C ATOM 1026 CD GLN A 64 14.793 -7.457 0.282 1.00 0.00 C ATOM 1027 OE1 GLN A 64 15.571 -6.996 -0.553 1.00 0.00 O ATOM 1028 NE2 GLN A 64 15.200 -8.192 1.311 1.00 0.00 N ATOM 0 H GLN A 64 12.394 -9.789 -2.646 1.00 0.00 H new ATOM 0 HA GLN A 64 10.985 -8.181 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.638 -7.440 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.479 -6.190 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 64 13.063 -6.250 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.766 -7.975 0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.520 -8.554 1.980 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.192 -8.394 1.432 1.00 0.00 H new ATOM 1037 N GLU A 65 9.546 -7.717 -2.614 1.00 0.00 N ATOM 1038 CA GLU A 65 8.667 -7.290 -3.699 1.00 0.00 C ATOM 1039 C GLU A 65 8.285 -5.835 -3.497 1.00 0.00 C ATOM 1040 O GLU A 65 7.819 -5.459 -2.430 1.00 0.00 O ATOM 1041 CB GLU A 65 7.414 -8.169 -3.745 1.00 0.00 C ATOM 1042 CG GLU A 65 6.901 -8.427 -5.152 1.00 0.00 C ATOM 1043 CD GLU A 65 5.928 -7.364 -5.627 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.643 -6.428 -4.850 1.00 0.00 O ATOM 1045 OE2 GLU A 65 5.452 -7.466 -6.778 1.00 0.00 O ATOM 0 H GLU A 65 9.058 -7.998 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 65 9.192 -7.393 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.633 -9.124 -3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.626 -7.693 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.746 -8.473 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.412 -9.401 -5.183 1.00 0.00 H new ATOM 1052 N VAL A 66 8.519 -5.007 -4.502 1.00 0.00 N ATOM 1053 CA VAL A 66 8.230 -3.587 -4.373 1.00 0.00 C ATOM 1054 C VAL A 66 7.436 -3.032 -5.555 1.00 0.00 C ATOM 1055 O VAL A 66 7.754 -3.288 -6.715 1.00 0.00 O ATOM 1056 CB VAL A 66 9.545 -2.807 -4.198 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.656 -3.476 -4.987 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.390 -1.344 -4.597 1.00 0.00 C ATOM 0 H VAL A 66 8.903 -5.287 -5.404 1.00 0.00 H new ATOM 0 HA VAL A 66 7.601 -3.462 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 66 9.810 -2.821 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.582 -2.917 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.794 -4.496 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.390 -3.497 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.340 -0.827 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.091 -1.282 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.628 -0.876 -3.974 1.00 0.00 H new ATOM 1068 N THR A 67 6.405 -2.254 -5.227 1.00 0.00 N ATOM 1069 CA THR A 67 5.547 -1.629 -6.226 1.00 0.00 C ATOM 1070 C THR A 67 5.251 -0.183 -5.834 1.00 0.00 C ATOM 1071 O THR A 67 4.737 0.081 -4.748 1.00 0.00 O ATOM 1072 CB THR A 67 4.218 -2.393 -6.385 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.476 -3.757 -6.734 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.344 -1.750 -7.453 1.00 0.00 C ATOM 0 H THR A 67 6.144 -2.041 -4.264 1.00 0.00 H new ATOM 0 HA THR A 67 6.078 -1.654 -7.178 1.00 0.00 H new ATOM 0 HB THR A 67 3.688 -2.354 -5.433 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.627 -4.236 -6.832 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.412 -2.308 -7.545 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.124 -0.720 -7.171 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.869 -1.760 -8.408 1.00 0.00 H new ATOM 1082 N ARG A 68 5.592 0.751 -6.716 1.00 0.00 N ATOM 1083 CA ARG A 68 5.374 2.171 -6.452 1.00 0.00 C ATOM 1084 C ARG A 68 3.954 2.593 -6.820 1.00 0.00 C ATOM 1085 O ARG A 68 3.360 2.061 -7.758 1.00 0.00 O ATOM 1086 CB ARG A 68 6.390 3.007 -7.230 1.00 0.00 C ATOM 1087 CG ARG A 68 7.733 2.316 -7.403 1.00 0.00 C ATOM 1088 CD ARG A 68 8.843 3.312 -7.694 1.00 0.00 C ATOM 1089 NE ARG A 68 9.515 3.757 -6.476 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.653 4.447 -6.473 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.246 4.759 -7.617 1.00 0.00 N ATOM 1092 NH2 ARG A 68 11.198 4.824 -5.325 1.00 0.00 N ATOM 0 H ARG A 68 6.020 0.551 -7.620 1.00 0.00 H new ATOM 0 HA ARG A 68 5.508 2.342 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.981 3.241 -8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.541 3.955 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.974 1.756 -6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.669 1.594 -8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.572 2.856 -8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.428 4.175 -8.214 1.00 0.00 H new ATOM 0 HE ARG A 68 9.089 3.526 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.830 4.470 -8.502 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.118 5.288 -7.612 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.745 4.585 -4.443 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.070 5.353 -5.324 1.00 0.00 H new ATOM 1106 N PHE A 69 3.418 3.555 -6.071 1.00 0.00 N ATOM 1107 CA PHE A 69 2.069 4.058 -6.307 1.00 0.00 C ATOM 1108 C PHE A 69 1.908 5.471 -5.754 1.00 0.00 C ATOM 1109 O PHE A 69 2.429 5.792 -4.686 1.00 0.00 O ATOM 1110 CB PHE A 69 1.029 3.131 -5.669 1.00 0.00 C ATOM 1111 CG PHE A 69 1.450 2.569 -4.338 1.00 0.00 C ATOM 1112 CD1 PHE A 69 1.370 3.337 -3.185 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.923 1.270 -4.240 1.00 0.00 C ATOM 1114 CE1 PHE A 69 1.754 2.819 -1.961 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.309 0.748 -3.020 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.224 1.523 -1.880 1.00 0.00 C ATOM 0 H PHE A 69 3.901 4.003 -5.292 1.00 0.00 H new ATOM 0 HA PHE A 69 1.908 4.085 -7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.096 3.680 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.823 2.307 -6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.004 4.351 -3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.991 0.658 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.686 3.427 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.677 -0.265 -2.958 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.525 1.116 -0.926 1.00 0.00 H new ATOM 1126 N ASP A 70 1.179 6.310 -6.482 1.00 0.00 N ATOM 1127 CA ASP A 70 0.940 7.685 -6.059 1.00 0.00 C ATOM 1128 C ASP A 70 -0.538 7.894 -5.751 1.00 0.00 C ATOM 1129 O ASP A 70 -1.395 7.648 -6.599 1.00 0.00 O ATOM 1130 CB ASP A 70 1.396 8.665 -7.142 1.00 0.00 C ATOM 1131 CG ASP A 70 2.845 8.455 -7.536 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.664 8.145 -6.645 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.162 8.601 -8.735 1.00 0.00 O ATOM 0 H ASP A 70 0.743 6.061 -7.370 1.00 0.00 H new ATOM 0 HA ASP A 70 1.518 7.873 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.763 8.551 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.264 9.686 -6.784 1.00 0.00 H new ATOM 1138 N PHE A 71 -0.835 8.337 -4.531 1.00 0.00 N ATOM 1139 CA PHE A 71 -2.217 8.558 -4.127 1.00 0.00 C ATOM 1140 C PHE A 71 -2.357 9.804 -3.256 1.00 0.00 C ATOM 1141 O PHE A 71 -1.425 10.192 -2.549 1.00 0.00 O ATOM 1142 CB PHE A 71 -2.750 7.332 -3.380 1.00 0.00 C ATOM 1143 CG PHE A 71 -2.036 7.054 -2.086 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.900 6.261 -2.062 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.503 7.585 -0.895 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -0.243 6.003 -0.873 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.850 7.332 0.296 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.719 6.540 0.307 1.00 0.00 C ATOM 0 H PHE A 71 -0.142 8.548 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.806 8.716 -5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.811 7.475 -3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.665 6.459 -4.026 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.523 5.840 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.388 8.204 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.641 5.383 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.224 7.753 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.207 6.341 1.237 1.00 0.00 H new ATOM 1158 N THR A 72 -3.535 10.422 -3.315 1.00 0.00 N ATOM 1159 CA THR A 72 -3.826 11.621 -2.537 1.00 0.00 C ATOM 1160 C THR A 72 -5.282 11.631 -2.088 1.00 0.00 C ATOM 1161 O THR A 72 -6.171 11.213 -2.831 1.00 0.00 O ATOM 1162 CB THR A 72 -3.552 12.906 -3.343 1.00 0.00 C ATOM 1163 OG1 THR A 72 -4.567 13.084 -4.339 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.187 12.857 -4.011 1.00 0.00 C ATOM 0 H THR A 72 -4.309 10.107 -3.900 1.00 0.00 H new ATOM 0 HA THR A 72 -3.167 11.600 -1.669 1.00 0.00 H new ATOM 0 HB THR A 72 -3.565 13.747 -2.650 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.388 13.903 -4.846 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.023 13.777 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.413 12.753 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.145 12.006 -4.690 1.00 0.00 H new