USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=15 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= -0.0819 X(o=-0.082,f=-0.024) USER MOD Single : A 13 SER OG : rot -160:sc= -0.899 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= -0.024 (180deg=-0.107) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.000807 USER MOD Single : A 36 HIS : no HE2:sc= -0.0713 K(o=-0.071,f=-0.72) USER MOD Single : A 38 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.68) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 36:sc= -0.858 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.212 (180deg=-1.18!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 57 SER OG : rot 112:sc= 0.34 USER MOD Single : A 59 GLN : amide:sc= -0.554 K(o=-0.55,f=-5.2!) USER MOD Single : A 60 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.8!) USER MOD Single : A 64 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.77) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.034 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.741 -17.060 1.359 1.00 0.00 N ATOM 143 CA HIS A 11 -0.363 -15.687 1.041 1.00 0.00 C ATOM 144 C HIS A 11 1.052 -15.384 1.530 1.00 0.00 C ATOM 145 O HIS A 11 1.709 -16.237 2.127 1.00 0.00 O ATOM 146 CB HIS A 11 -1.351 -14.704 1.672 1.00 0.00 C ATOM 147 CG HIS A 11 -2.450 -14.276 0.749 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.768 -14.348 1.127 1.00 0.00 N ATOM 149 CD2 HIS A 11 -2.377 -13.782 -0.512 1.00 0.00 C ATOM 150 CE1 HIS A 11 -4.464 -13.899 0.098 1.00 0.00 C ATOM 151 NE2 HIS A 11 -3.665 -13.545 -0.919 1.00 0.00 N ATOM 0 HA HIS A 11 -0.388 -15.573 -0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.791 -15.163 2.557 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.807 -13.821 2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.478 -13.609 -1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.541 -13.826 0.078 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -3.959 -13.171 -1.822 1.00 0.00 H new ATOM 159 N ILE A 12 1.510 -14.161 1.277 1.00 0.00 N ATOM 160 CA ILE A 12 2.843 -13.738 1.695 1.00 0.00 C ATOM 161 C ILE A 12 2.898 -13.538 3.207 1.00 0.00 C ATOM 162 O ILE A 12 1.896 -13.185 3.829 1.00 0.00 O ATOM 163 CB ILE A 12 3.258 -12.422 0.996 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.582 -11.899 1.564 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.164 -11.375 1.146 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.691 -11.813 0.537 1.00 0.00 C ATOM 0 H ILE A 12 0.977 -13.445 0.784 1.00 0.00 H new ATOM 0 HA ILE A 12 3.537 -14.527 1.407 1.00 0.00 H new ATOM 0 HB ILE A 12 3.400 -12.628 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.418 -10.910 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.901 -12.551 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.471 -10.455 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.244 -11.743 0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.993 -11.176 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.597 -11.435 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.883 -12.804 0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.392 -11.138 -0.265 1.00 0.00 H new ATOM 178 N SER A 13 4.076 -13.761 3.790 1.00 0.00 N ATOM 179 CA SER A 13 4.263 -13.595 5.227 1.00 0.00 C ATOM 180 C SER A 13 3.712 -12.249 5.685 1.00 0.00 C ATOM 181 O SER A 13 2.925 -12.178 6.629 1.00 0.00 O ATOM 182 CB SER A 13 5.745 -13.702 5.588 1.00 0.00 C ATOM 183 OG SER A 13 5.976 -14.775 6.483 1.00 0.00 O ATOM 0 H SER A 13 4.913 -14.057 3.288 1.00 0.00 H new ATOM 0 HA SER A 13 3.718 -14.389 5.737 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.334 -13.847 4.682 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.081 -12.769 6.040 1.00 0.00 H new ATOM 0 HG SER A 13 6.832 -14.640 6.941 1.00 0.00 H new ATOM 189 N LYS A 14 4.124 -11.184 5.000 1.00 0.00 N ATOM 190 CA LYS A 14 3.663 -9.840 5.328 1.00 0.00 C ATOM 191 C LYS A 14 4.111 -8.826 4.277 1.00 0.00 C ATOM 192 O LYS A 14 5.202 -8.933 3.718 1.00 0.00 O ATOM 193 CB LYS A 14 4.179 -9.422 6.708 1.00 0.00 C ATOM 194 CG LYS A 14 5.682 -9.203 6.760 1.00 0.00 C ATOM 195 CD LYS A 14 6.364 -10.231 7.646 1.00 0.00 C ATOM 196 CE LYS A 14 7.868 -10.016 7.692 1.00 0.00 C ATOM 197 NZ LYS A 14 8.611 -11.149 7.072 1.00 0.00 N ATOM 0 H LYS A 14 4.775 -11.227 4.216 1.00 0.00 H new ATOM 0 HA LYS A 14 2.573 -9.857 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.677 -8.503 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.907 -10.188 7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.094 -9.259 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.892 -8.201 7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.956 -10.171 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.150 -11.233 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.118 -9.091 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.186 -9.897 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.622 -10.912 7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.487 -12.004 7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.243 -11.323 6.115 1.00 0.00 H new ATOM 211 N TYR A 15 3.253 -7.844 4.021 1.00 0.00 N ATOM 212 CA TYR A 15 3.534 -6.794 3.046 1.00 0.00 C ATOM 213 C TYR A 15 3.900 -5.495 3.759 1.00 0.00 C ATOM 214 O TYR A 15 3.288 -5.144 4.765 1.00 0.00 O ATOM 215 CB TYR A 15 2.302 -6.565 2.166 1.00 0.00 C ATOM 216 CG TYR A 15 2.582 -6.566 0.681 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.516 -5.700 0.127 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.902 -7.429 -0.171 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.765 -5.694 -1.233 1.00 0.00 C ATOM 220 CE2 TYR A 15 2.146 -7.429 -1.530 1.00 0.00 C ATOM 221 CZ TYR A 15 3.077 -6.560 -2.057 1.00 0.00 C ATOM 222 OH TYR A 15 3.322 -6.556 -3.410 1.00 0.00 O ATOM 0 H TYR A 15 2.347 -7.753 4.481 1.00 0.00 H new ATOM 0 HA TYR A 15 4.374 -7.106 2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.566 -7.339 2.384 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.850 -5.611 2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.057 -5.020 0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.171 -8.111 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.495 -5.015 -1.648 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.610 -8.107 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 15 2.756 -7.226 -3.847 1.00 0.00 H new ATOM 232 N ILE A 16 4.892 -4.776 3.237 1.00 0.00 N ATOM 233 CA ILE A 16 5.307 -3.516 3.841 1.00 0.00 C ATOM 234 C ILE A 16 5.084 -2.354 2.889 1.00 0.00 C ATOM 235 O ILE A 16 5.596 -2.345 1.771 1.00 0.00 O ATOM 236 CB ILE A 16 6.793 -3.542 4.261 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.970 -4.400 5.518 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.315 -2.124 4.498 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.265 -3.844 6.739 1.00 0.00 C ATOM 0 H ILE A 16 5.418 -5.043 2.405 1.00 0.00 H new ATOM 0 HA ILE A 16 4.693 -3.382 4.731 1.00 0.00 H new ATOM 0 HB ILE A 16 7.374 -3.984 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.594 -5.404 5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.034 -4.495 5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.363 -2.167 4.793 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.219 -1.543 3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.735 -1.650 5.290 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.435 -4.504 7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.657 -2.852 6.965 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.195 -3.775 6.542 1.00 0.00 H new ATOM 251 N LEU A 17 4.331 -1.363 3.346 1.00 0.00 N ATOM 252 CA LEU A 17 4.062 -0.187 2.541 1.00 0.00 C ATOM 253 C LEU A 17 4.873 0.990 3.059 1.00 0.00 C ATOM 254 O LEU A 17 4.651 1.466 4.172 1.00 0.00 O ATOM 255 CB LEU A 17 2.568 0.149 2.568 1.00 0.00 C ATOM 256 CG LEU A 17 2.176 1.450 1.862 1.00 0.00 C ATOM 257 CD1 LEU A 17 2.258 1.290 0.352 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.777 1.878 2.278 1.00 0.00 C ATOM 0 H LEU A 17 3.898 -1.353 4.269 1.00 0.00 H new ATOM 0 HA LEU A 17 4.351 -0.393 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.019 -0.673 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.244 0.207 3.607 1.00 0.00 H new ATOM 0 HG LEU A 17 2.880 2.227 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.975 2.226 -0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.278 1.030 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.580 0.499 0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.513 2.804 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.063 1.099 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.751 2.038 3.356 1.00 0.00 H new ATOM 270 N ARG A 18 5.811 1.453 2.246 1.00 0.00 N ATOM 271 CA ARG A 18 6.654 2.579 2.617 1.00 0.00 C ATOM 272 C ARG A 18 6.359 3.759 1.707 1.00 0.00 C ATOM 273 O ARG A 18 6.349 3.618 0.486 1.00 0.00 O ATOM 274 CB ARG A 18 8.135 2.195 2.527 1.00 0.00 C ATOM 275 CG ARG A 18 8.382 0.885 1.793 1.00 0.00 C ATOM 276 CD ARG A 18 9.491 0.064 2.437 1.00 0.00 C ATOM 277 NE ARG A 18 9.813 0.521 3.787 1.00 0.00 N ATOM 278 CZ ARG A 18 10.966 1.098 4.117 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.900 1.298 3.197 1.00 0.00 N ATOM 280 NH2 ARG A 18 11.185 1.475 5.370 1.00 0.00 N ATOM 0 H ARG A 18 6.007 1.065 1.323 1.00 0.00 H new ATOM 0 HA ARG A 18 6.436 2.859 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.678 2.993 2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.544 2.120 3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.462 0.300 1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.644 1.095 0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.189 -0.983 2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.385 0.117 1.816 1.00 0.00 H new ATOM 0 HE ARG A 18 9.114 0.390 4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.736 1.009 2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.782 1.741 3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.470 1.323 6.081 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.069 1.917 5.622 1.00 0.00 H new ATOM 294 N TRP A 19 6.105 4.919 2.299 1.00 0.00 N ATOM 295 CA TRP A 19 5.796 6.099 1.509 1.00 0.00 C ATOM 296 C TRP A 19 6.093 7.391 2.268 1.00 0.00 C ATOM 297 O TRP A 19 5.978 7.451 3.493 1.00 0.00 O ATOM 298 CB TRP A 19 4.330 6.056 1.056 1.00 0.00 C ATOM 299 CG TRP A 19 3.335 6.364 2.135 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.617 7.514 2.273 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.931 5.507 3.212 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.799 7.434 3.373 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.973 6.212 3.966 1.00 0.00 C ATOM 304 CE3 TRP A 19 3.287 4.218 3.614 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.367 5.668 5.096 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.684 3.679 4.736 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.732 4.403 5.465 1.00 0.00 C ATOM 0 H TRP A 19 6.107 5.066 3.308 1.00 0.00 H new ATOM 0 HA TRP A 19 6.442 6.092 0.631 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.194 6.767 0.241 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.116 5.065 0.654 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.682 8.366 1.612 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.165 8.165 3.696 1.00 0.00 H new ATOM 0 HE3 TRP A 19 4.020 3.652 3.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.635 6.226 5.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.952 2.683 5.056 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.277 3.953 6.335 1.00 0.00 H new ATOM 318 N ARG A 20 6.475 8.419 1.513 1.00 0.00 N ATOM 319 CA ARG A 20 6.796 9.728 2.073 1.00 0.00 C ATOM 320 C ARG A 20 6.446 10.820 1.060 1.00 0.00 C ATOM 321 O ARG A 20 6.290 10.538 -0.128 1.00 0.00 O ATOM 322 CB ARG A 20 8.282 9.793 2.467 1.00 0.00 C ATOM 323 CG ARG A 20 9.135 10.694 1.581 1.00 0.00 C ATOM 324 CD ARG A 20 10.007 9.883 0.637 1.00 0.00 C ATOM 325 NE ARG A 20 9.619 10.063 -0.759 1.00 0.00 N ATOM 326 CZ ARG A 20 10.489 10.141 -1.763 1.00 0.00 C ATOM 327 NH1 ARG A 20 11.791 10.063 -1.523 1.00 0.00 N ATOM 328 NH2 ARG A 20 10.058 10.299 -3.006 1.00 0.00 N ATOM 0 H ARG A 20 6.570 8.367 0.499 1.00 0.00 H new ATOM 0 HA ARG A 20 6.205 9.889 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.356 10.143 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.695 8.785 2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.489 11.355 1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.765 11.329 2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.049 10.177 0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.939 8.827 0.899 1.00 0.00 H new ATOM 0 HE ARG A 20 8.625 10.133 -0.977 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.127 9.943 -0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.456 10.123 -2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.058 10.361 -3.195 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.727 10.359 -3.774 1.00 0.00 H new ATOM 342 N PRO A 21 6.302 12.083 1.508 1.00 0.00 N ATOM 343 CA PRO A 21 5.951 13.197 0.616 1.00 0.00 C ATOM 344 C PRO A 21 6.952 13.366 -0.523 1.00 0.00 C ATOM 345 O PRO A 21 8.132 13.632 -0.296 1.00 0.00 O ATOM 346 CB PRO A 21 5.968 14.418 1.541 1.00 0.00 C ATOM 347 CG PRO A 21 5.756 13.858 2.905 1.00 0.00 C ATOM 348 CD PRO A 21 6.446 12.527 2.907 1.00 0.00 C ATOM 0 HA PRO A 21 4.991 13.038 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.916 14.953 1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.183 15.127 1.277 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.172 14.516 3.668 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.694 13.749 3.123 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.493 12.614 3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.979 11.830 3.603 1.00 0.00 H new ATOM 356 N LYS A 22 6.465 13.197 -1.748 1.00 0.00 N ATOM 357 CA LYS A 22 7.300 13.315 -2.939 1.00 0.00 C ATOM 358 C LYS A 22 7.786 14.748 -3.142 1.00 0.00 C ATOM 359 O LYS A 22 8.913 14.972 -3.584 1.00 0.00 O ATOM 360 CB LYS A 22 6.517 12.853 -4.170 1.00 0.00 C ATOM 361 CG LYS A 22 7.376 12.188 -5.232 1.00 0.00 C ATOM 362 CD LYS A 22 7.166 12.825 -6.596 1.00 0.00 C ATOM 363 CE LYS A 22 8.298 13.778 -6.949 1.00 0.00 C ATOM 364 NZ LYS A 22 8.830 13.525 -8.318 1.00 0.00 N ATOM 0 H LYS A 22 5.488 12.976 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 22 8.175 12.680 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.742 12.155 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.012 13.712 -4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.427 12.263 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.135 11.126 -5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.095 12.046 -7.355 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.219 13.365 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.942 14.806 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.103 13.672 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.600 14.195 -8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.194 12.552 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.069 13.651 -9.015 1.00 0.00 H new ATOM 378 N ASN A 23 6.928 15.713 -2.827 1.00 0.00 N ATOM 379 CA ASN A 23 7.273 17.122 -2.984 1.00 0.00 C ATOM 380 C ASN A 23 7.768 17.719 -1.673 1.00 0.00 C ATOM 381 O ASN A 23 8.749 18.462 -1.649 1.00 0.00 O ATOM 382 CB ASN A 23 6.061 17.909 -3.489 1.00 0.00 C ATOM 383 CG ASN A 23 6.446 19.002 -4.467 1.00 0.00 C ATOM 384 OD1 ASN A 23 6.823 20.103 -4.069 1.00 0.00 O ATOM 385 ND2 ASN A 23 6.349 18.702 -5.758 1.00 0.00 N ATOM 0 H ASN A 23 5.990 15.546 -2.462 1.00 0.00 H new ATOM 0 HA ASN A 23 8.078 17.190 -3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.362 17.225 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.540 18.352 -2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.592 19.398 -6.463 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.032 17.776 -6.044 1.00 0.00 H new ATOM 392 N SER A 24 7.081 17.394 -0.584 1.00 0.00 N ATOM 393 CA SER A 24 7.449 17.903 0.732 1.00 0.00 C ATOM 394 C SER A 24 8.517 17.029 1.381 1.00 0.00 C ATOM 395 O SER A 24 8.776 15.911 0.937 1.00 0.00 O ATOM 396 CB SER A 24 6.217 17.978 1.635 1.00 0.00 C ATOM 397 OG SER A 24 6.072 19.271 2.196 1.00 0.00 O ATOM 0 H SER A 24 6.266 16.780 -0.586 1.00 0.00 H new ATOM 0 HA SER A 24 7.859 18.904 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.326 17.726 1.061 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.302 17.240 2.433 1.00 0.00 H new ATOM 0 HG SER A 24 5.276 19.292 2.767 1.00 0.00 H new ATOM 403 N VAL A 25 9.133 17.550 2.438 1.00 0.00 N ATOM 404 CA VAL A 25 10.172 16.822 3.155 1.00 0.00 C ATOM 405 C VAL A 25 9.628 16.247 4.461 1.00 0.00 C ATOM 406 O VAL A 25 8.693 16.793 5.047 1.00 0.00 O ATOM 407 CB VAL A 25 11.381 17.728 3.464 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.014 18.782 4.498 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.565 16.898 3.937 1.00 0.00 C ATOM 0 H VAL A 25 8.929 18.475 2.817 1.00 0.00 H new ATOM 0 HA VAL A 25 10.499 16.007 2.509 1.00 0.00 H new ATOM 0 HB VAL A 25 11.668 18.240 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.881 19.410 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.201 19.399 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.696 18.293 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.408 17.555 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.291 16.355 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.846 16.188 3.159 1.00 0.00 H new ATOM 419 N GLY A 26 10.219 15.146 4.910 1.00 0.00 N ATOM 420 CA GLY A 26 9.778 14.520 6.142 1.00 0.00 C ATOM 421 C GLY A 26 10.400 13.156 6.354 1.00 0.00 C ATOM 422 O GLY A 26 11.620 13.005 6.296 1.00 0.00 O ATOM 0 H GLY A 26 10.995 14.676 4.444 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.029 15.165 6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.692 14.423 6.128 1.00 0.00 H new ATOM 426 N ARG A 27 9.557 12.159 6.603 1.00 0.00 N ATOM 427 CA ARG A 27 10.029 10.799 6.825 1.00 0.00 C ATOM 428 C ARG A 27 9.112 9.789 6.147 1.00 0.00 C ATOM 429 O ARG A 27 8.019 10.132 5.696 1.00 0.00 O ATOM 430 CB ARG A 27 10.112 10.506 8.324 1.00 0.00 C ATOM 431 CG ARG A 27 8.764 10.549 9.024 1.00 0.00 C ATOM 432 CD ARG A 27 8.845 11.293 10.346 1.00 0.00 C ATOM 433 NE ARG A 27 7.606 11.184 11.111 1.00 0.00 N ATOM 434 CZ ARG A 27 7.214 10.074 11.730 1.00 0.00 C ATOM 435 NH1 ARG A 27 7.967 8.983 11.681 1.00 0.00 N ATOM 436 NH2 ARG A 27 6.070 10.055 12.400 1.00 0.00 N ATOM 0 H ARG A 27 8.544 12.268 6.656 1.00 0.00 H new ATOM 0 HA ARG A 27 11.024 10.709 6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.557 9.522 8.470 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.779 11.230 8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.033 11.034 8.377 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.411 9.533 9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.671 10.896 10.936 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.064 12.344 10.158 1.00 0.00 H new ATOM 0 HE ARG A 27 7.006 12.007 11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.848 8.994 11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.665 8.133 12.156 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.489 10.892 12.441 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.771 9.203 12.874 1.00 0.00 H new ATOM 450 N TRP A 28 9.563 8.542 6.083 1.00 0.00 N ATOM 451 CA TRP A 28 8.783 7.479 5.464 1.00 0.00 C ATOM 452 C TRP A 28 7.752 6.923 6.441 1.00 0.00 C ATOM 453 O TRP A 28 7.746 7.277 7.621 1.00 0.00 O ATOM 454 CB TRP A 28 9.701 6.354 4.989 1.00 0.00 C ATOM 455 CG TRP A 28 10.548 6.727 3.811 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.680 7.489 3.821 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.330 6.349 2.447 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.181 7.607 2.548 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.370 6.917 1.686 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.357 5.587 1.796 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.464 6.742 0.308 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.452 5.415 0.427 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.497 5.991 -0.304 1.00 0.00 C ATOM 0 H TRP A 28 10.465 8.243 6.453 1.00 0.00 H new ATOM 0 HA TRP A 28 8.259 7.901 4.606 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.350 6.054 5.812 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.094 5.487 4.729 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.118 7.934 4.702 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.020 8.124 2.287 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.546 5.140 2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.271 7.183 -0.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.707 4.826 -0.087 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.541 5.840 -1.372 1.00 0.00 H new ATOM 474 N LYS A 29 6.892 6.042 5.943 1.00 0.00 N ATOM 475 CA LYS A 29 5.863 5.422 6.766 1.00 0.00 C ATOM 476 C LYS A 29 5.744 3.947 6.413 1.00 0.00 C ATOM 477 O LYS A 29 5.788 3.586 5.240 1.00 0.00 O ATOM 478 CB LYS A 29 4.522 6.126 6.564 1.00 0.00 C ATOM 479 CG LYS A 29 3.837 6.517 7.863 1.00 0.00 C ATOM 480 CD LYS A 29 3.437 7.983 7.859 1.00 0.00 C ATOM 481 CE LYS A 29 4.523 8.856 8.466 1.00 0.00 C ATOM 482 NZ LYS A 29 4.675 10.143 7.732 1.00 0.00 N ATOM 0 H LYS A 29 6.888 5.741 4.969 1.00 0.00 H new ATOM 0 HA LYS A 29 6.144 5.516 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.678 7.021 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.860 5.472 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.953 5.897 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.506 6.323 8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.239 8.305 6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.510 8.110 8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.284 9.059 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.471 8.317 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.425 10.710 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.928 9.950 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.778 10.669 7.764 1.00 0.00 H new ATOM 496 N GLU A 30 5.614 3.096 7.423 1.00 0.00 N ATOM 497 CA GLU A 30 5.513 1.659 7.190 1.00 0.00 C ATOM 498 C GLU A 30 4.205 1.088 7.727 1.00 0.00 C ATOM 499 O GLU A 30 3.807 1.368 8.858 1.00 0.00 O ATOM 500 CB GLU A 30 6.698 0.937 7.835 1.00 0.00 C ATOM 501 CG GLU A 30 8.025 1.209 7.146 1.00 0.00 C ATOM 502 CD GLU A 30 9.191 0.537 7.844 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.768 1.154 8.763 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.527 -0.607 7.471 1.00 0.00 O ATOM 0 H GLU A 30 5.576 3.372 8.404 1.00 0.00 H new ATOM 0 HA GLU A 30 5.529 1.499 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.772 1.239 8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.507 -0.136 7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.973 0.860 6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.198 2.285 7.110 1.00 0.00 H new ATOM 511 N ALA A 31 3.551 0.275 6.902 1.00 0.00 N ATOM 512 CA ALA A 31 2.292 -0.359 7.274 1.00 0.00 C ATOM 513 C ALA A 31 2.262 -1.800 6.779 1.00 0.00 C ATOM 514 O ALA A 31 2.332 -2.050 5.575 1.00 0.00 O ATOM 515 CB ALA A 31 1.118 0.422 6.704 1.00 0.00 C ATOM 0 H ALA A 31 3.876 0.039 5.964 1.00 0.00 H new ATOM 0 HA ALA A 31 2.210 -0.362 8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.185 -0.063 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.133 1.439 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.194 0.451 5.617 1.00 0.00 H new ATOM 521 N THR A 32 2.174 -2.746 7.708 1.00 0.00 N ATOM 522 CA THR A 32 2.156 -4.159 7.350 1.00 0.00 C ATOM 523 C THR A 32 0.752 -4.652 7.030 1.00 0.00 C ATOM 524 O THR A 32 -0.187 -4.441 7.799 1.00 0.00 O ATOM 525 CB THR A 32 2.740 -5.042 8.468 1.00 0.00 C ATOM 526 OG1 THR A 32 4.079 -4.632 8.769 1.00 0.00 O ATOM 527 CG2 THR A 32 2.731 -6.511 8.055 1.00 0.00 C ATOM 0 H THR A 32 2.114 -2.561 8.709 1.00 0.00 H new ATOM 0 HA THR A 32 2.777 -4.243 6.458 1.00 0.00 H new ATOM 0 HB THR A 32 2.119 -4.926 9.356 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.442 -5.198 9.482 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.148 -7.118 8.859 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.707 -6.827 7.856 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.332 -6.640 7.155 1.00 0.00 H new ATOM 535 N ILE A 33 0.630 -5.339 5.900 1.00 0.00 N ATOM 536 CA ILE A 33 -0.640 -5.905 5.474 1.00 0.00 C ATOM 537 C ILE A 33 -0.435 -7.346 5.017 1.00 0.00 C ATOM 538 O ILE A 33 0.125 -7.591 3.950 1.00 0.00 O ATOM 539 CB ILE A 33 -1.270 -5.099 4.319 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.135 -3.596 4.575 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.734 -5.481 4.144 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.111 -2.922 3.688 1.00 0.00 C ATOM 0 H ILE A 33 1.403 -5.517 5.259 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.317 -5.868 6.327 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.736 -5.339 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.104 -3.121 4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.862 -3.436 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.165 -4.904 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.808 -6.545 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.278 -5.268 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.069 -1.859 3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.868 -3.371 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.394 -3.051 2.643 1.00 0.00 H new ATOM 554 N PRO A 34 -0.874 -8.325 5.826 1.00 0.00 N ATOM 555 CA PRO A 34 -0.719 -9.747 5.497 1.00 0.00 C ATOM 556 C PRO A 34 -1.410 -10.119 4.190 1.00 0.00 C ATOM 557 O PRO A 34 -2.588 -10.478 4.180 1.00 0.00 O ATOM 558 CB PRO A 34 -1.374 -10.466 6.681 1.00 0.00 C ATOM 559 CG PRO A 34 -1.373 -9.470 7.787 1.00 0.00 C ATOM 560 CD PRO A 34 -1.537 -8.132 7.128 1.00 0.00 C ATOM 0 HA PRO A 34 0.326 -10.018 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.388 -10.784 6.437 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.817 -11.361 6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.185 -9.663 8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.443 -9.516 8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.587 -7.865 7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.068 -7.336 7.707 1.00 0.00 H new ATOM 568 N GLY A 35 -0.667 -10.031 3.090 1.00 0.00 N ATOM 569 CA GLY A 35 -1.219 -10.360 1.788 1.00 0.00 C ATOM 570 C GLY A 35 -2.393 -9.477 1.416 1.00 0.00 C ATOM 571 O GLY A 35 -2.213 -8.392 0.863 1.00 0.00 O ATOM 0 H GLY A 35 0.310 -9.737 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.440 -10.262 1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.537 -11.403 1.785 1.00 0.00 H new ATOM 575 N HIS A 36 -3.598 -9.943 1.724 1.00 0.00 N ATOM 576 CA HIS A 36 -4.812 -9.193 1.424 1.00 0.00 C ATOM 577 C HIS A 36 -5.972 -9.681 2.282 1.00 0.00 C ATOM 578 O HIS A 36 -6.661 -10.636 1.923 1.00 0.00 O ATOM 579 CB HIS A 36 -5.167 -9.329 -0.058 1.00 0.00 C ATOM 580 CG HIS A 36 -5.399 -8.018 -0.743 1.00 0.00 C ATOM 581 ND1 HIS A 36 -4.540 -6.959 -0.573 1.00 0.00 N ATOM 582 CD2 HIS A 36 -6.398 -7.647 -1.580 1.00 0.00 C ATOM 583 CE1 HIS A 36 -5.028 -5.975 -1.305 1.00 0.00 C ATOM 584 NE2 HIS A 36 -6.155 -6.344 -1.934 1.00 0.00 N ATOM 0 H HIS A 36 -3.760 -10.839 2.183 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.629 -8.143 1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.362 -9.858 -0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.063 -9.942 -0.153 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -3.697 -6.938 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.226 -8.259 -1.906 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.578 -4.997 -1.387 1.00 0.00 H new ATOM 592 N LEU A 37 -6.183 -9.023 3.417 1.00 0.00 N ATOM 593 CA LEU A 37 -7.264 -9.401 4.322 1.00 0.00 C ATOM 594 C LEU A 37 -8.624 -9.103 3.698 1.00 0.00 C ATOM 595 O LEU A 37 -9.585 -9.842 3.916 1.00 0.00 O ATOM 596 CB LEU A 37 -7.147 -8.690 5.686 1.00 0.00 C ATOM 597 CG LEU A 37 -6.298 -7.409 5.743 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.813 -7.738 5.696 1.00 0.00 C ATOM 599 CD2 LEU A 37 -6.677 -6.441 4.628 1.00 0.00 C ATOM 0 H LEU A 37 -5.624 -8.230 3.731 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.176 -10.474 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.153 -8.443 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.734 -9.400 6.402 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.506 -6.917 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.234 -6.815 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.553 -8.368 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.587 -8.267 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.058 -5.546 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.517 -6.919 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.727 -6.165 4.727 1.00 0.00 H new ATOM 611 N ASN A 38 -8.688 -8.026 2.912 1.00 0.00 N ATOM 612 CA ASN A 38 -9.921 -7.619 2.235 1.00 0.00 C ATOM 613 C ASN A 38 -9.769 -6.223 1.635 1.00 0.00 C ATOM 614 O ASN A 38 -9.423 -6.077 0.462 1.00 0.00 O ATOM 615 CB ASN A 38 -11.115 -7.643 3.196 1.00 0.00 C ATOM 616 CG ASN A 38 -12.095 -8.752 2.866 1.00 0.00 C ATOM 617 OD1 ASN A 38 -12.279 -9.687 3.645 1.00 0.00 O ATOM 618 ND2 ASN A 38 -12.730 -8.653 1.703 1.00 0.00 N ATOM 0 H ASN A 38 -7.892 -7.415 2.728 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.108 -8.333 1.433 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.755 -7.771 4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.629 -6.683 3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.401 -9.370 1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.547 -7.860 1.088 1.00 0.00 H new ATOM 625 N SER A 39 -10.027 -5.200 2.447 1.00 0.00 N ATOM 626 CA SER A 39 -9.917 -3.817 1.997 1.00 0.00 C ATOM 627 C SER A 39 -9.036 -3.004 2.938 1.00 0.00 C ATOM 628 O SER A 39 -9.364 -2.831 4.113 1.00 0.00 O ATOM 629 CB SER A 39 -11.304 -3.179 1.898 1.00 0.00 C ATOM 630 OG SER A 39 -12.137 -3.901 1.008 1.00 0.00 O ATOM 0 H SER A 39 -10.314 -5.304 3.420 1.00 0.00 H new ATOM 0 HA SER A 39 -9.454 -3.820 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.764 -3.147 2.886 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.210 -2.148 1.557 1.00 0.00 H new ATOM 0 HG SER A 39 -13.018 -3.473 0.964 1.00 0.00 H new ATOM 636 N TYR A 40 -7.922 -2.503 2.418 1.00 0.00 N ATOM 637 CA TYR A 40 -7.001 -1.703 3.217 1.00 0.00 C ATOM 638 C TYR A 40 -6.922 -0.276 2.687 1.00 0.00 C ATOM 639 O TYR A 40 -6.441 -0.040 1.579 1.00 0.00 O ATOM 640 CB TYR A 40 -5.607 -2.332 3.220 1.00 0.00 C ATOM 641 CG TYR A 40 -4.661 -1.695 4.214 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.641 -2.104 5.542 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.791 -0.684 3.824 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.780 -1.523 6.453 1.00 0.00 C ATOM 645 CE2 TYR A 40 -2.926 -0.100 4.731 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.925 -0.523 6.042 1.00 0.00 C ATOM 647 OH TYR A 40 -2.066 0.058 6.947 1.00 0.00 O ATOM 0 H TYR A 40 -7.635 -2.636 1.448 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.380 -1.676 4.239 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.697 -3.395 3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.179 -2.253 2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.309 -2.888 5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.790 -0.349 2.797 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.777 -1.851 7.482 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.254 0.684 4.413 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.752 -0.620 7.582 1.00 0.00 H new ATOM 657 N THR A 41 -7.400 0.673 3.486 1.00 0.00 N ATOM 658 CA THR A 41 -7.384 2.078 3.098 1.00 0.00 C ATOM 659 C THR A 41 -6.633 2.924 4.120 1.00 0.00 C ATOM 660 O THR A 41 -6.889 2.837 5.321 1.00 0.00 O ATOM 661 CB THR A 41 -8.812 2.635 2.940 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.770 4.064 2.829 1.00 0.00 O ATOM 663 CG2 THR A 41 -9.683 2.240 4.122 1.00 0.00 C ATOM 0 H THR A 41 -7.803 0.494 4.406 1.00 0.00 H new ATOM 0 HA THR A 41 -6.871 2.133 2.138 1.00 0.00 H new ATOM 0 HB THR A 41 -9.245 2.211 2.034 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.681 4.411 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.686 2.645 3.987 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.737 1.153 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.252 2.638 5.041 1.00 0.00 H new ATOM 671 N ILE A 42 -5.706 3.744 3.635 1.00 0.00 N ATOM 672 CA ILE A 42 -4.920 4.607 4.505 1.00 0.00 C ATOM 673 C ILE A 42 -5.654 5.914 4.787 1.00 0.00 C ATOM 674 O ILE A 42 -6.100 6.599 3.866 1.00 0.00 O ATOM 675 CB ILE A 42 -3.539 4.900 3.895 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.601 3.726 4.172 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.955 6.194 4.450 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.490 3.362 5.640 1.00 0.00 C ATOM 0 H ILE A 42 -5.482 3.828 2.643 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.777 4.078 5.447 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.652 5.026 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.951 2.855 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.609 3.969 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.979 6.375 4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.622 7.024 4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.847 6.110 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.807 2.521 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.110 4.217 6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.473 3.086 6.022 1.00 0.00 H new ATOM 690 N LYS A 43 -5.782 6.251 6.067 1.00 0.00 N ATOM 691 CA LYS A 43 -6.468 7.472 6.471 1.00 0.00 C ATOM 692 C LYS A 43 -5.501 8.458 7.119 1.00 0.00 C ATOM 693 O LYS A 43 -4.290 8.234 7.140 1.00 0.00 O ATOM 694 CB LYS A 43 -7.602 7.143 7.443 1.00 0.00 C ATOM 695 CG LYS A 43 -7.146 6.359 8.663 1.00 0.00 C ATOM 696 CD LYS A 43 -7.522 4.890 8.552 1.00 0.00 C ATOM 697 CE LYS A 43 -6.345 3.984 8.881 1.00 0.00 C ATOM 698 NZ LYS A 43 -5.605 4.449 10.088 1.00 0.00 N ATOM 0 H LYS A 43 -5.419 5.695 6.842 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.883 7.936 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.069 8.071 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.366 6.570 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.066 6.452 8.774 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.596 6.784 9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.349 4.673 9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.873 4.679 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.704 2.968 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.665 3.949 8.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.143 3.638 10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.885 5.145 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.270 4.890 10.755 1.00 0.00 H new ATOM 712 N GLY A 44 -6.046 9.550 7.649 1.00 0.00 N ATOM 713 CA GLY A 44 -5.224 10.557 8.293 1.00 0.00 C ATOM 714 C GLY A 44 -4.428 11.380 7.301 1.00 0.00 C ATOM 715 O GLY A 44 -3.271 11.717 7.550 1.00 0.00 O ATOM 0 H GLY A 44 -7.045 9.755 7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.860 11.219 8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.540 10.072 8.989 1.00 0.00 H new ATOM 719 N LEU A 45 -5.049 11.705 6.170 1.00 0.00 N ATOM 720 CA LEU A 45 -4.389 12.493 5.134 1.00 0.00 C ATOM 721 C LEU A 45 -5.360 13.478 4.488 1.00 0.00 C ATOM 722 O LEU A 45 -6.506 13.609 4.921 1.00 0.00 O ATOM 723 CB LEU A 45 -3.799 11.579 4.059 1.00 0.00 C ATOM 724 CG LEU A 45 -3.674 10.101 4.433 1.00 0.00 C ATOM 725 CD1 LEU A 45 -4.431 9.234 3.441 1.00 0.00 C ATOM 726 CD2 LEU A 45 -2.215 9.691 4.479 1.00 0.00 C ATOM 0 H LEU A 45 -6.007 11.435 5.948 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.586 13.056 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.417 11.656 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.809 11.952 3.796 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.110 9.958 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.331 8.186 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.485 9.512 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.021 9.382 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.142 8.637 4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.761 9.850 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.692 10.291 5.223 1.00 0.00 H new ATOM 738 N LYS A 46 -4.896 14.167 3.445 1.00 0.00 N ATOM 739 CA LYS A 46 -5.722 15.137 2.739 1.00 0.00 C ATOM 740 C LYS A 46 -5.136 15.469 1.367 1.00 0.00 C ATOM 741 O LYS A 46 -3.923 15.399 1.169 1.00 0.00 O ATOM 742 CB LYS A 46 -5.860 16.415 3.566 1.00 0.00 C ATOM 743 CG LYS A 46 -4.582 16.811 4.285 1.00 0.00 C ATOM 744 CD LYS A 46 -3.843 17.912 3.542 1.00 0.00 C ATOM 745 CE LYS A 46 -4.095 19.274 4.171 1.00 0.00 C ATOM 746 NZ LYS A 46 -2.889 20.145 4.107 1.00 0.00 N ATOM 0 H LYS A 46 -3.951 14.069 3.073 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.707 14.693 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.167 17.231 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.654 16.279 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.820 17.148 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.934 15.940 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.774 17.701 3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.162 17.927 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.924 19.763 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.395 19.144 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.101 21.064 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.105 19.690 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.618 20.290 3.114 1.00 0.00 H new ATOM 760 N PRO A 47 -5.997 15.836 0.397 1.00 0.00 N ATOM 761 CA PRO A 47 -5.563 16.178 -0.964 1.00 0.00 C ATOM 762 C PRO A 47 -4.660 17.406 -0.996 1.00 0.00 C ATOM 763 O PRO A 47 -4.533 18.123 -0.003 1.00 0.00 O ATOM 764 CB PRO A 47 -6.872 16.464 -1.711 1.00 0.00 C ATOM 765 CG PRO A 47 -7.945 15.858 -0.872 1.00 0.00 C ATOM 766 CD PRO A 47 -7.458 15.943 0.545 1.00 0.00 C ATOM 0 HA PRO A 47 -4.974 15.375 -1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.028 17.536 -1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.859 16.026 -2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.886 16.394 -0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.128 14.823 -1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.749 16.882 1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.862 15.139 1.160 1.00 0.00 H new ATOM 774 N GLY A 48 -4.037 17.644 -2.146 1.00 0.00 N ATOM 775 CA GLY A 48 -3.156 18.787 -2.292 1.00 0.00 C ATOM 776 C GLY A 48 -1.692 18.421 -2.134 1.00 0.00 C ATOM 777 O GLY A 48 -0.812 19.255 -2.353 1.00 0.00 O ATOM 0 H GLY A 48 -4.127 17.064 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.310 19.237 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.420 19.541 -1.551 1.00 0.00 H new ATOM 781 N VAL A 49 -1.428 17.176 -1.749 1.00 0.00 N ATOM 782 CA VAL A 49 -0.056 16.713 -1.560 1.00 0.00 C ATOM 783 C VAL A 49 0.277 15.544 -2.477 1.00 0.00 C ATOM 784 O VAL A 49 -0.357 14.491 -2.406 1.00 0.00 O ATOM 785 CB VAL A 49 0.203 16.254 -0.110 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.623 16.593 0.320 1.00 0.00 C ATOM 787 CG2 VAL A 49 -0.817 16.846 0.854 1.00 0.00 C ATOM 0 H VAL A 49 -2.142 16.472 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 49 0.576 17.568 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 49 0.089 15.170 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.782 16.260 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.332 16.091 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.773 17.671 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.604 16.501 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.760 17.934 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.818 16.527 0.565 1.00 0.00 H new ATOM 797 N VAL A 50 1.299 15.716 -3.309 1.00 0.00 N ATOM 798 CA VAL A 50 1.733 14.649 -4.199 1.00 0.00 C ATOM 799 C VAL A 50 2.643 13.700 -3.427 1.00 0.00 C ATOM 800 O VAL A 50 3.801 14.016 -3.151 1.00 0.00 O ATOM 801 CB VAL A 50 2.470 15.195 -5.442 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.454 16.286 -5.051 1.00 0.00 C ATOM 803 CG2 VAL A 50 3.174 14.072 -6.191 1.00 0.00 C ATOM 0 H VAL A 50 1.838 16.579 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 50 0.849 14.120 -4.556 1.00 0.00 H new ATOM 0 HB VAL A 50 1.728 15.633 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.961 16.655 -5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.917 17.106 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.190 15.880 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.686 14.481 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.901 13.596 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.440 13.334 -6.515 1.00 0.00 H new ATOM 813 N TYR A 51 2.098 12.553 -3.048 1.00 0.00 N ATOM 814 CA TYR A 51 2.842 11.573 -2.269 1.00 0.00 C ATOM 815 C TYR A 51 3.491 10.512 -3.150 1.00 0.00 C ATOM 816 O TYR A 51 3.065 10.275 -4.280 1.00 0.00 O ATOM 817 CB TYR A 51 1.904 10.879 -1.281 1.00 0.00 C ATOM 818 CG TYR A 51 2.167 11.204 0.171 1.00 0.00 C ATOM 819 CD1 TYR A 51 3.263 10.680 0.840 1.00 0.00 C ATOM 820 CD2 TYR A 51 1.301 12.022 0.877 1.00 0.00 C ATOM 821 CE1 TYR A 51 3.486 10.967 2.175 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.517 12.315 2.210 1.00 0.00 C ATOM 823 CZ TYR A 51 2.610 11.785 2.855 1.00 0.00 C ATOM 824 OH TYR A 51 2.830 12.072 4.183 1.00 0.00 O ATOM 0 H TYR A 51 1.141 12.277 -3.268 1.00 0.00 H new ATOM 0 HA TYR A 51 3.630 12.111 -1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.877 11.154 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.986 9.801 -1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.952 10.039 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.440 12.439 0.376 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.344 10.551 2.683 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.831 12.957 2.743 1.00 0.00 H new ATOM 0 HH TYR A 51 2.121 12.663 4.512 1.00 0.00 H new ATOM 834 N GLU A 52 4.496 9.848 -2.593 1.00 0.00 N ATOM 835 CA GLU A 52 5.188 8.769 -3.283 1.00 0.00 C ATOM 836 C GLU A 52 4.989 7.488 -2.487 1.00 0.00 C ATOM 837 O GLU A 52 5.201 7.474 -1.277 1.00 0.00 O ATOM 838 CB GLU A 52 6.680 9.086 -3.420 1.00 0.00 C ATOM 839 CG GLU A 52 7.525 7.887 -3.823 1.00 0.00 C ATOM 840 CD GLU A 52 7.686 7.765 -5.326 1.00 0.00 C ATOM 841 OE1 GLU A 52 6.754 7.256 -5.983 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.745 8.177 -5.846 1.00 0.00 O ATOM 0 H GLU A 52 4.852 10.041 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 52 4.781 8.652 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.808 9.875 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.048 9.476 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.509 7.969 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.066 6.977 -3.436 1.00 0.00 H new ATOM 849 N GLY A 53 4.555 6.422 -3.151 1.00 0.00 N ATOM 850 CA GLY A 53 4.313 5.178 -2.444 1.00 0.00 C ATOM 851 C GLY A 53 5.117 4.006 -2.961 1.00 0.00 C ATOM 852 O GLY A 53 5.367 3.884 -4.160 1.00 0.00 O ATOM 0 H GLY A 53 4.368 6.396 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.540 5.323 -1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.253 4.935 -2.511 1.00 0.00 H new ATOM 856 N GLN A 54 5.508 3.135 -2.039 1.00 0.00 N ATOM 857 CA GLN A 54 6.277 1.941 -2.371 1.00 0.00 C ATOM 858 C GLN A 54 5.688 0.724 -1.660 1.00 0.00 C ATOM 859 O GLN A 54 5.414 0.773 -0.462 1.00 0.00 O ATOM 860 CB GLN A 54 7.745 2.122 -1.980 1.00 0.00 C ATOM 861 CG GLN A 54 8.470 3.169 -2.812 1.00 0.00 C ATOM 862 CD GLN A 54 9.974 2.971 -2.823 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.627 3.151 -3.851 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.533 2.600 -1.676 1.00 0.00 N ATOM 0 H GLN A 54 5.303 3.235 -1.045 1.00 0.00 H new ATOM 0 HA GLN A 54 6.224 1.782 -3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.801 2.403 -0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.260 1.167 -2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.096 3.136 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.241 4.160 -2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.954 2.462 -0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.541 2.453 -1.624 1.00 0.00 H new ATOM 873 N LEU A 55 5.485 -0.361 -2.399 1.00 0.00 N ATOM 874 CA LEU A 55 4.920 -1.577 -1.822 1.00 0.00 C ATOM 875 C LEU A 55 5.894 -2.747 -1.946 1.00 0.00 C ATOM 876 O LEU A 55 6.112 -3.275 -3.036 1.00 0.00 O ATOM 877 CB LEU A 55 3.590 -1.913 -2.510 1.00 0.00 C ATOM 878 CG LEU A 55 2.539 -2.608 -1.634 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.526 -2.038 -0.223 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.161 -2.487 -2.265 1.00 0.00 C ATOM 0 H LEU A 55 5.702 -0.425 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 55 4.739 -1.403 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.159 -0.989 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.798 -2.551 -3.369 1.00 0.00 H new ATOM 0 HG LEU A 55 2.806 -3.662 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.770 -2.553 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.505 -2.179 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.293 -0.974 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.426 -2.985 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.899 -1.434 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.169 -2.955 -3.249 1.00 0.00 H new ATOM 892 N ILE A 56 6.484 -3.136 -0.818 1.00 0.00 N ATOM 893 CA ILE A 56 7.447 -4.235 -0.790 1.00 0.00 C ATOM 894 C ILE A 56 6.952 -5.405 0.058 1.00 0.00 C ATOM 895 O ILE A 56 6.784 -5.275 1.270 1.00 0.00 O ATOM 896 CB ILE A 56 8.808 -3.773 -0.235 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.389 -2.652 -1.101 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.776 -4.946 -0.167 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.838 -1.282 -0.773 1.00 0.00 C ATOM 0 H ILE A 56 6.312 -2.706 0.091 1.00 0.00 H new ATOM 0 HA ILE A 56 7.562 -4.564 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 56 8.657 -3.386 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.472 -2.636 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.188 -2.873 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.734 -4.605 0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.368 -5.717 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.920 -5.357 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.296 -0.540 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.758 -1.279 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.063 -1.039 0.265 1.00 0.00 H new ATOM 911 N SER A 57 6.744 -6.549 -0.582 1.00 0.00 N ATOM 912 CA SER A 57 6.292 -7.748 0.112 1.00 0.00 C ATOM 913 C SER A 57 7.479 -8.565 0.605 1.00 0.00 C ATOM 914 O SER A 57 8.372 -8.905 -0.171 1.00 0.00 O ATOM 915 CB SER A 57 5.433 -8.600 -0.819 1.00 0.00 C ATOM 916 OG SER A 57 4.366 -9.211 -0.113 1.00 0.00 O ATOM 0 H SER A 57 6.882 -6.672 -1.585 1.00 0.00 H new ATOM 0 HA SER A 57 5.697 -7.441 0.972 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.034 -7.979 -1.621 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.050 -9.367 -1.287 1.00 0.00 H new ATOM 0 HG SER A 57 3.516 -8.818 -0.401 1.00 0.00 H new ATOM 922 N ILE A 58 7.483 -8.874 1.894 1.00 0.00 N ATOM 923 CA ILE A 58 8.562 -9.653 2.490 1.00 0.00 C ATOM 924 C ILE A 58 8.067 -11.020 2.951 1.00 0.00 C ATOM 925 O ILE A 58 7.113 -11.121 3.726 1.00 0.00 O ATOM 926 CB ILE A 58 9.198 -8.913 3.686 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.816 -7.592 3.224 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.249 -9.786 4.360 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.108 -6.371 3.768 1.00 0.00 C ATOM 0 H ILE A 58 6.751 -8.598 2.549 1.00 0.00 H new ATOM 0 HA ILE A 58 9.317 -9.789 1.716 1.00 0.00 H new ATOM 0 HB ILE A 58 8.416 -8.696 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.862 -7.562 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.802 -7.555 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.686 -9.246 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.783 -10.703 4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.031 -10.034 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.600 -5.471 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.069 -6.377 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.145 -6.384 4.857 1.00 0.00 H new ATOM 941 N GLN A 59 8.728 -12.071 2.472 1.00 0.00 N ATOM 942 CA GLN A 59 8.368 -13.436 2.835 1.00 0.00 C ATOM 943 C GLN A 59 9.320 -13.975 3.897 1.00 0.00 C ATOM 944 O GLN A 59 10.209 -13.264 4.364 1.00 0.00 O ATOM 945 CB GLN A 59 8.397 -14.340 1.601 1.00 0.00 C ATOM 946 CG GLN A 59 7.057 -14.984 1.285 1.00 0.00 C ATOM 947 CD GLN A 59 6.746 -16.161 2.188 1.00 0.00 C ATOM 948 OE1 GLN A 59 6.310 -15.988 3.326 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.971 -17.370 1.683 1.00 0.00 N ATOM 0 H GLN A 59 9.518 -12.001 1.830 1.00 0.00 H new ATOM 0 HA GLN A 59 7.357 -13.427 3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.721 -13.755 0.740 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.140 -15.123 1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.268 -14.238 1.383 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.054 -15.317 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.333 -17.467 0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.781 -18.200 2.244 1.00 0.00 H new ATOM 958 N GLN A 60 9.130 -15.236 4.274 1.00 0.00 N ATOM 959 CA GLN A 60 9.976 -15.866 5.280 1.00 0.00 C ATOM 960 C GLN A 60 11.418 -15.974 4.789 1.00 0.00 C ATOM 961 O GLN A 60 12.354 -16.003 5.586 1.00 0.00 O ATOM 962 CB GLN A 60 9.439 -17.255 5.634 1.00 0.00 C ATOM 963 CG GLN A 60 8.006 -17.242 6.144 1.00 0.00 C ATOM 964 CD GLN A 60 7.914 -17.497 7.637 1.00 0.00 C ATOM 965 OE1 GLN A 60 8.904 -17.389 8.359 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.718 -17.838 8.106 1.00 0.00 N ATOM 0 H GLN A 60 8.399 -15.840 3.898 1.00 0.00 H new ATOM 0 HA GLN A 60 9.961 -15.241 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.496 -17.893 4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.082 -17.701 6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.552 -16.278 5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.429 -18.000 5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.924 -17.916 7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.594 -18.022 9.102 1.00 0.00 H new ATOM 975 N TYR A 61 11.587 -16.034 3.470 1.00 0.00 N ATOM 976 CA TYR A 61 12.915 -16.139 2.871 1.00 0.00 C ATOM 977 C TYR A 61 13.413 -14.775 2.401 1.00 0.00 C ATOM 978 O TYR A 61 14.520 -14.657 1.873 1.00 0.00 O ATOM 979 CB TYR A 61 12.895 -17.119 1.694 1.00 0.00 C ATOM 980 CG TYR A 61 11.853 -18.209 1.819 1.00 0.00 C ATOM 981 CD1 TYR A 61 11.957 -19.190 2.799 1.00 0.00 C ATOM 982 CD2 TYR A 61 10.765 -18.259 0.956 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.007 -20.187 2.915 1.00 0.00 C ATOM 984 CE2 TYR A 61 9.811 -19.252 1.066 1.00 0.00 C ATOM 985 CZ TYR A 61 9.936 -20.214 2.046 1.00 0.00 C ATOM 986 OH TYR A 61 8.987 -21.206 2.158 1.00 0.00 O ATOM 0 H TYR A 61 10.821 -16.012 2.796 1.00 0.00 H new ATOM 0 HA TYR A 61 13.598 -16.512 3.634 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.715 -16.563 0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.879 -17.580 1.601 1.00 0.00 H new ATOM 0 HD1 TYR A 61 12.794 -19.173 3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.664 -17.509 0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.103 -20.941 3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.971 -19.275 0.388 1.00 0.00 H new ATOM 0 HH TYR A 61 8.299 -21.080 1.471 1.00 0.00 H new ATOM 996 N GLY A 62 12.590 -13.748 2.595 1.00 0.00 N ATOM 997 CA GLY A 62 12.965 -12.407 2.184 1.00 0.00 C ATOM 998 C GLY A 62 11.976 -11.803 1.208 1.00 0.00 C ATOM 999 O GLY A 62 11.098 -12.498 0.695 1.00 0.00 O ATOM 0 H GLY A 62 11.670 -13.821 3.030 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.039 -11.768 3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.953 -12.434 1.725 1.00 0.00 H new ATOM 1003 N HIS A 63 12.116 -10.506 0.953 1.00 0.00 N ATOM 1004 CA HIS A 63 11.227 -9.805 0.032 1.00 0.00 C ATOM 1005 C HIS A 63 11.243 -10.462 -1.345 1.00 0.00 C ATOM 1006 O HIS A 63 12.237 -11.073 -1.739 1.00 0.00 O ATOM 1007 CB HIS A 63 11.630 -8.334 -0.084 1.00 0.00 C ATOM 1008 CG HIS A 63 13.029 -8.129 -0.578 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.428 -8.581 -1.811 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.075 -7.515 0.028 1.00 0.00 C ATOM 1011 CE1 HIS A 63 14.697 -8.237 -1.931 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.134 -7.588 -0.842 1.00 0.00 N ATOM 0 H HIS A 63 12.837 -9.918 1.371 1.00 0.00 H new ATOM 0 HA HIS A 63 10.214 -9.863 0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.939 -7.829 -0.759 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.526 -7.860 0.892 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.075 -7.057 1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.306 -8.451 -2.797 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.073 -7.219 -0.690 1.00 0.00 H new ATOM 1020 N GLN A 64 10.136 -10.336 -2.072 1.00 0.00 N ATOM 1021 CA GLN A 64 10.028 -10.921 -3.405 1.00 0.00 C ATOM 1022 C GLN A 64 9.024 -10.157 -4.264 1.00 0.00 C ATOM 1023 O GLN A 64 8.703 -10.574 -5.376 1.00 0.00 O ATOM 1024 CB GLN A 64 9.616 -12.392 -3.309 1.00 0.00 C ATOM 1025 CG GLN A 64 8.967 -12.763 -1.985 1.00 0.00 C ATOM 1026 CD GLN A 64 8.782 -14.254 -1.823 1.00 0.00 C ATOM 1027 OE1 GLN A 64 7.800 -14.825 -2.298 1.00 0.00 O ATOM 1028 NE2 GLN A 64 9.723 -14.895 -1.149 1.00 0.00 N ATOM 0 H GLN A 64 9.303 -9.835 -1.761 1.00 0.00 H new ATOM 0 HA GLN A 64 11.007 -10.852 -3.879 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.923 -12.619 -4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.497 -13.017 -3.459 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.580 -12.386 -1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.997 -12.271 -1.910 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.520 -14.382 -0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.651 -15.902 -1.006 1.00 0.00 H new ATOM 1037 N GLU A 65 8.532 -9.038 -3.742 1.00 0.00 N ATOM 1038 CA GLU A 65 7.563 -8.222 -4.467 1.00 0.00 C ATOM 1039 C GLU A 65 7.798 -6.737 -4.211 1.00 0.00 C ATOM 1040 O GLU A 65 7.681 -6.267 -3.085 1.00 0.00 O ATOM 1041 CB GLU A 65 6.141 -8.599 -4.051 1.00 0.00 C ATOM 1042 CG GLU A 65 5.199 -8.819 -5.223 1.00 0.00 C ATOM 1043 CD GLU A 65 4.113 -9.831 -4.914 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.452 -10.965 -4.516 1.00 0.00 O ATOM 1045 OE2 GLU A 65 2.922 -9.488 -5.068 1.00 0.00 O ATOM 0 H GLU A 65 8.787 -8.676 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 65 7.691 -8.413 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.177 -9.507 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.737 -7.811 -3.415 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.739 -7.870 -5.498 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.772 -9.158 -6.086 1.00 0.00 H new ATOM 1052 N VAL A 66 8.133 -6.004 -5.262 1.00 0.00 N ATOM 1053 CA VAL A 66 8.382 -4.573 -5.138 1.00 0.00 C ATOM 1054 C VAL A 66 7.699 -3.797 -6.263 1.00 0.00 C ATOM 1055 O VAL A 66 7.969 -4.029 -7.442 1.00 0.00 O ATOM 1056 CB VAL A 66 9.895 -4.275 -5.131 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.622 -5.229 -6.062 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.177 -2.824 -5.499 1.00 0.00 C ATOM 0 H VAL A 66 8.239 -6.373 -6.207 1.00 0.00 H new ATOM 0 HA VAL A 66 7.959 -4.247 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 66 10.269 -4.429 -4.119 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.689 -5.008 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.459 -6.255 -5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.240 -5.110 -7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.253 -2.647 -5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.789 -2.620 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.692 -2.165 -4.779 1.00 0.00 H new ATOM 1068 N THR A 67 6.819 -2.874 -5.886 1.00 0.00 N ATOM 1069 CA THR A 67 6.099 -2.058 -6.859 1.00 0.00 C ATOM 1070 C THR A 67 6.092 -0.592 -6.436 1.00 0.00 C ATOM 1071 O THR A 67 5.618 -0.252 -5.352 1.00 0.00 O ATOM 1072 CB THR A 67 4.647 -2.540 -7.032 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.614 -3.967 -7.155 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.009 -1.907 -8.260 1.00 0.00 C ATOM 0 H THR A 67 6.587 -2.672 -4.913 1.00 0.00 H new ATOM 0 HA THR A 67 6.620 -2.160 -7.811 1.00 0.00 H new ATOM 0 HB THR A 67 4.081 -2.238 -6.150 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.687 -4.265 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.984 -2.263 -8.361 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.008 -0.822 -8.151 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.578 -2.182 -9.148 1.00 0.00 H new ATOM 1082 N ARG A 68 6.626 0.270 -7.295 1.00 0.00 N ATOM 1083 CA ARG A 68 6.688 1.701 -7.007 1.00 0.00 C ATOM 1084 C ARG A 68 5.585 2.460 -7.735 1.00 0.00 C ATOM 1085 O ARG A 68 5.404 2.306 -8.943 1.00 0.00 O ATOM 1086 CB ARG A 68 8.055 2.263 -7.405 1.00 0.00 C ATOM 1087 CG ARG A 68 9.187 1.255 -7.287 1.00 0.00 C ATOM 1088 CD ARG A 68 10.178 1.395 -8.430 1.00 0.00 C ATOM 1089 NE ARG A 68 11.200 0.353 -8.395 1.00 0.00 N ATOM 1090 CZ ARG A 68 12.253 0.324 -9.205 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.423 1.275 -10.114 1.00 0.00 N ATOM 1092 NH2 ARG A 68 13.138 -0.658 -9.107 1.00 0.00 N ATOM 0 H ARG A 68 7.022 0.004 -8.196 1.00 0.00 H new ATOM 0 HA ARG A 68 6.542 1.832 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.005 2.622 -8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.281 3.125 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.703 1.395 -6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.777 0.245 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.645 1.349 -9.380 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.655 2.374 -8.379 1.00 0.00 H new ATOM 0 HE ARG A 68 11.100 -0.396 -7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.744 2.032 -10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.233 1.249 -10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.011 -1.392 -8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.946 -0.680 -9.729 1.00 0.00 H new ATOM 1106 N PHE A 69 4.853 3.285 -6.990 1.00 0.00 N ATOM 1107 CA PHE A 69 3.768 4.075 -7.562 1.00 0.00 C ATOM 1108 C PHE A 69 3.489 5.319 -6.727 1.00 0.00 C ATOM 1109 O PHE A 69 3.363 5.247 -5.505 1.00 0.00 O ATOM 1110 CB PHE A 69 2.499 3.227 -7.685 1.00 0.00 C ATOM 1111 CG PHE A 69 2.107 2.524 -6.416 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.601 1.262 -6.124 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.241 3.125 -5.515 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.238 0.613 -4.958 1.00 0.00 C ATOM 1115 CE2 PHE A 69 0.876 2.482 -4.348 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.375 1.225 -4.069 1.00 0.00 C ATOM 0 H PHE A 69 4.992 3.423 -5.989 1.00 0.00 H new ATOM 0 HA PHE A 69 4.078 4.398 -8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.676 3.867 -8.002 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.646 2.484 -8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.277 0.780 -6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.847 4.108 -5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.628 -0.371 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.201 2.962 -3.655 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.091 0.721 -3.157 1.00 0.00 H new ATOM 1126 N ASP A 70 3.377 6.459 -7.403 1.00 0.00 N ATOM 1127 CA ASP A 70 3.090 7.720 -6.734 1.00 0.00 C ATOM 1128 C ASP A 70 1.594 7.986 -6.784 1.00 0.00 C ATOM 1129 O ASP A 70 0.910 7.528 -7.700 1.00 0.00 O ATOM 1130 CB ASP A 70 3.857 8.875 -7.385 1.00 0.00 C ATOM 1131 CG ASP A 70 4.322 8.548 -8.791 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.459 8.328 -9.666 1.00 0.00 O ATOM 1133 OD2 ASP A 70 5.550 8.516 -9.018 1.00 0.00 O ATOM 0 H ASP A 70 3.481 6.533 -8.415 1.00 0.00 H new ATOM 0 HA ASP A 70 3.414 7.649 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.220 9.759 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.721 9.125 -6.769 1.00 0.00 H new ATOM 1138 N PHE A 71 1.077 8.702 -5.795 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.350 8.983 -5.750 1.00 0.00 C ATOM 1140 C PHE A 71 -0.647 10.295 -5.030 1.00 0.00 C ATOM 1141 O PHE A 71 0.130 10.748 -4.189 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.077 7.815 -5.078 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.777 7.670 -3.610 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.498 7.340 -3.175 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.773 7.861 -2.665 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.773 7.204 -1.828 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.502 7.725 -1.316 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.228 7.397 -0.897 1.00 0.00 C ATOM 0 H PHE A 71 1.616 9.094 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.712 9.095 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.151 7.946 -5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.805 6.890 -5.587 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.285 7.187 -3.898 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.771 8.119 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.770 6.947 -1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.287 7.875 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.015 7.292 0.157 1.00 0.00 H new ATOM 1158 N THR A 72 -1.777 10.902 -5.385 1.00 0.00 N ATOM 1159 CA THR A 72 -2.193 12.170 -4.797 1.00 0.00 C ATOM 1160 C THR A 72 -3.283 11.975 -3.749 1.00 0.00 C ATOM 1161 O THR A 72 -3.844 10.887 -3.617 1.00 0.00 O ATOM 1162 CB THR A 72 -2.705 13.147 -5.874 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.123 12.420 -7.037 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.622 14.145 -6.258 1.00 0.00 C ATOM 0 H THR A 72 -2.424 10.532 -6.082 1.00 0.00 H new ATOM 0 HA THR A 72 -1.310 12.592 -4.317 1.00 0.00 H new ATOM 0 HB THR A 72 -3.553 13.694 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.448 13.048 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.006 14.824 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.325 14.716 -5.378 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.758 13.610 -6.652 1.00 0.00 H new