USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 649 GLN : amide:sc= -1.65 K(o=-1.7,f=-0.19) USER MOD Set 1.2: A 652 LYS NZ :NH3+ 146:sc=-0.00808 (180deg=0) USER MOD Single : A 632 THR OG1 : rot -33:sc= 0.197 USER MOD Single : A 635 THR OG1 : rot -166:sc= -2.55! USER MOD Single : A 641 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 651 HIS : no HD1:sc= -0.298 K(o=-0.3,f=-1.1) USER MOD Single : A 658 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.0082) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 663 CYS SG : rot 180:sc= 0.00325 USER MOD Single : A 667 ASN : amide:sc= -6.13! C(o=-6.1!,f=-17!) USER MOD Single : A 668 GLN : amide:sc= -1.44 K(o=-1.4,f=-5.5!) USER MOD Single : A 670 SER OG : rot -120:sc= -1.79! USER MOD Single : A 675 SER OG : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 632 -3.346 1.516 -6.464 1.00 0.00 N ATOM 83 CA THR A 632 -3.953 0.454 -5.639 1.00 0.00 C ATOM 84 C THR A 632 -3.182 -0.867 -5.740 1.00 0.00 C ATOM 85 O THR A 632 -3.034 -1.596 -4.757 1.00 0.00 O ATOM 86 CB THR A 632 -5.424 0.199 -6.032 1.00 0.00 C ATOM 87 OG1 THR A 632 -5.539 0.069 -7.455 1.00 0.00 O ATOM 88 CG2 THR A 632 -6.327 1.323 -5.544 1.00 0.00 C ATOM 0 HA THR A 632 -3.908 0.813 -4.611 1.00 0.00 H new ATOM 0 HB THR A 632 -5.743 -0.728 -5.556 1.00 0.00 H new ATOM 0 HG1 THR A 632 -4.880 0.648 -7.891 1.00 0.00 H new ATOM 0 HG21 THR A 632 -7.356 1.115 -5.836 1.00 0.00 H new ATOM 0 HG22 THR A 632 -6.265 1.394 -4.458 1.00 0.00 H new ATOM 0 HG23 THR A 632 -6.007 2.266 -5.988 1.00 0.00 H new ATOM 96 N ARG A 633 -2.729 -1.168 -6.960 1.00 0.00 N ATOM 97 CA ARG A 633 -2.002 -2.405 -7.290 1.00 0.00 C ATOM 98 C ARG A 633 -0.797 -2.722 -6.383 1.00 0.00 C ATOM 99 O ARG A 633 -0.617 -3.874 -6.007 1.00 0.00 O ATOM 100 CB ARG A 633 -1.532 -2.355 -8.747 1.00 0.00 C ATOM 101 CG ARG A 633 -2.648 -2.570 -9.760 1.00 0.00 C ATOM 102 CD ARG A 633 -2.136 -2.454 -11.187 1.00 0.00 C ATOM 103 NE ARG A 633 -3.208 -2.639 -12.171 1.00 0.00 N ATOM 104 CZ ARG A 633 -3.048 -2.558 -13.500 1.00 0.00 C ATOM 105 NH1 ARG A 633 -1.857 -2.295 -14.036 1.00 0.00 N ATOM 106 NH2 ARG A 633 -4.090 -2.742 -14.298 1.00 0.00 N ATOM 0 H ARG A 633 -2.857 -0.551 -7.762 1.00 0.00 H new ATOM 0 HA ARG A 633 -2.719 -3.209 -7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 633 -1.064 -1.389 -8.935 1.00 0.00 H new ATOM 0 HB3 ARG A 633 -0.765 -3.115 -8.898 1.00 0.00 H new ATOM 0 HG2 ARG A 633 -3.092 -3.554 -9.611 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -3.437 -1.836 -9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -1.678 -1.475 -11.330 1.00 0.00 H new ATOM 0 HD3 ARG A 633 -1.357 -3.198 -11.355 1.00 0.00 H new ATOM 0 HE ARG A 633 -4.143 -2.844 -11.819 1.00 0.00 H new ATOM 0 HH11 ARG A 633 -1.047 -2.151 -13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 633 -1.755 -2.237 -15.049 1.00 0.00 H new ATOM 0 HH21 ARG A 633 -5.007 -2.944 -13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 633 -3.975 -2.682 -15.310 1.00 0.00 H new ATOM 120 N GLU A 634 0.012 -1.720 -6.001 1.00 0.00 N ATOM 121 CA GLU A 634 1.204 -1.977 -5.213 1.00 0.00 C ATOM 122 C GLU A 634 0.837 -2.300 -3.783 1.00 0.00 C ATOM 123 O GLU A 634 1.381 -3.222 -3.200 1.00 0.00 O ATOM 124 CB GLU A 634 2.162 -0.776 -5.266 1.00 0.00 C ATOM 125 CG GLU A 634 2.819 -0.561 -6.629 1.00 0.00 C ATOM 126 CD GLU A 634 1.911 0.148 -7.619 1.00 0.00 C ATOM 127 OE1 GLU A 634 1.153 -0.545 -8.329 1.00 0.00 O ATOM 128 OE2 GLU A 634 1.959 1.394 -7.682 1.00 0.00 O ATOM 0 H GLU A 634 -0.145 -0.738 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 634 1.715 -2.840 -5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 634 1.613 0.125 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 634 2.942 -0.913 -4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 634 3.731 0.022 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 634 3.113 -1.526 -7.041 1.00 0.00 H new ATOM 135 N THR A 635 -0.128 -1.542 -3.256 1.00 0.00 N ATOM 136 CA THR A 635 -0.580 -1.678 -1.876 1.00 0.00 C ATOM 137 C THR A 635 -1.428 -2.923 -1.583 1.00 0.00 C ATOM 138 O THR A 635 -1.013 -3.797 -0.827 1.00 0.00 O ATOM 139 CB THR A 635 -1.341 -0.408 -1.422 1.00 0.00 C ATOM 140 OG1 THR A 635 -2.009 -0.641 -0.185 1.00 0.00 O ATOM 141 CG2 THR A 635 -2.350 0.100 -2.462 1.00 0.00 C ATOM 0 H THR A 635 -0.617 -0.816 -3.779 1.00 0.00 H new ATOM 0 HA THR A 635 0.336 -1.805 -1.299 1.00 0.00 H new ATOM 0 HB THR A 635 -0.586 0.369 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 635 -2.655 0.078 -0.022 1.00 0.00 H new ATOM 0 HG21 THR A 635 -2.848 0.991 -2.081 1.00 0.00 H new ATOM 0 HG22 THR A 635 -1.827 0.344 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 635 -3.092 -0.674 -2.658 1.00 0.00 H new ATOM 149 N GLU A 636 -2.601 -3.004 -2.191 1.00 0.00 N ATOM 150 CA GLU A 636 -3.513 -4.107 -1.948 1.00 0.00 C ATOM 151 C GLU A 636 -3.045 -5.418 -2.603 1.00 0.00 C ATOM 152 O GLU A 636 -3.179 -6.476 -1.989 1.00 0.00 O ATOM 153 CB GLU A 636 -4.948 -3.664 -2.267 1.00 0.00 C ATOM 154 CG GLU A 636 -6.016 -4.747 -2.121 1.00 0.00 C ATOM 155 CD GLU A 636 -7.409 -4.238 -2.438 1.00 0.00 C ATOM 156 OE1 GLU A 636 -8.076 -3.722 -1.517 1.00 0.00 O ATOM 157 OE2 GLU A 636 -7.833 -4.357 -3.607 1.00 0.00 O ATOM 0 H GLU A 636 -2.944 -2.314 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 636 -3.510 -4.366 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -5.207 -2.832 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -4.975 -3.286 -3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -5.778 -5.579 -2.784 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -5.998 -5.135 -1.103 1.00 0.00 H new ATOM 164 N ARG A 637 -2.496 -5.359 -3.831 1.00 0.00 N ATOM 165 CA ARG A 637 -1.990 -6.572 -4.501 1.00 0.00 C ATOM 166 C ARG A 637 -0.798 -7.167 -3.722 1.00 0.00 C ATOM 167 O ARG A 637 -0.698 -8.391 -3.600 1.00 0.00 O ATOM 168 CB ARG A 637 -1.602 -6.295 -5.959 1.00 0.00 C ATOM 169 CG ARG A 637 -1.737 -7.500 -6.890 1.00 0.00 C ATOM 170 CD ARG A 637 -3.123 -7.582 -7.515 1.00 0.00 C ATOM 171 NE ARG A 637 -3.264 -8.752 -8.388 1.00 0.00 N ATOM 172 CZ ARG A 637 -4.335 -9.012 -9.152 1.00 0.00 C ATOM 173 NH1 ARG A 637 -5.384 -8.191 -9.171 1.00 0.00 N ATOM 174 NH2 ARG A 637 -4.353 -10.104 -9.904 1.00 0.00 N ATOM 0 H ARG A 637 -2.392 -4.500 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 637 -2.798 -7.303 -4.511 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -2.225 -5.486 -6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 637 -0.571 -5.944 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -0.987 -7.436 -7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -1.536 -8.414 -6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -3.874 -7.626 -6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 637 -3.316 -6.676 -8.089 1.00 0.00 H new ATOM 0 HE ARG A 637 -2.491 -9.417 -8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -5.382 -7.347 -8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -6.189 -8.406 -9.759 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -3.556 -10.740 -9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -5.164 -10.308 -10.488 1.00 0.00 H new ATOM 188 N LEU A 638 0.111 -6.292 -3.208 1.00 0.00 N ATOM 189 CA LEU A 638 1.282 -6.738 -2.410 1.00 0.00 C ATOM 190 C LEU A 638 0.815 -7.609 -1.240 1.00 0.00 C ATOM 191 O LEU A 638 1.123 -8.798 -1.134 1.00 0.00 O ATOM 192 CB LEU A 638 2.114 -5.510 -1.861 1.00 0.00 C ATOM 193 CG LEU A 638 1.607 -4.811 -0.544 1.00 0.00 C ATOM 194 CD1 LEU A 638 2.139 -5.496 0.694 1.00 0.00 C ATOM 195 CD2 LEU A 638 1.982 -3.346 -0.454 1.00 0.00 C ATOM 0 H LEU A 638 0.054 -5.281 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 638 1.930 -7.319 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 638 3.136 -5.848 -1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 638 2.155 -4.755 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 638 0.521 -4.894 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 638 1.767 -4.984 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 638 1.806 -6.534 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 638 3.229 -5.465 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 638 1.601 -2.929 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 638 3.067 -3.246 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 638 1.549 -2.807 -1.296 1.00 0.00 H new ATOM 207 N ARG A 639 0.029 -6.946 -0.405 1.00 0.00 N ATOM 208 CA ARG A 639 -0.535 -7.475 0.829 1.00 0.00 C ATOM 209 C ARG A 639 -1.482 -8.667 0.595 1.00 0.00 C ATOM 210 O ARG A 639 -1.447 -9.636 1.359 1.00 0.00 O ATOM 211 CB ARG A 639 -1.194 -6.298 1.577 1.00 0.00 C ATOM 212 CG ARG A 639 -1.590 -6.609 3.030 1.00 0.00 C ATOM 213 CD ARG A 639 -0.414 -6.479 3.997 1.00 0.00 C ATOM 214 NE ARG A 639 0.562 -7.566 3.840 1.00 0.00 N ATOM 215 CZ ARG A 639 1.718 -7.658 4.514 1.00 0.00 C ATOM 216 NH1 ARG A 639 2.073 -6.733 5.404 1.00 0.00 N ATOM 217 NH2 ARG A 639 2.525 -8.687 4.292 1.00 0.00 N ATOM 0 H ARG A 639 -0.246 -5.979 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 639 0.254 -7.900 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -0.507 -5.452 1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -2.084 -5.988 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -2.387 -5.932 3.339 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -1.992 -7.621 3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 639 0.082 -5.522 3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -0.788 -6.475 5.021 1.00 0.00 H new ATOM 0 HE ARG A 639 0.345 -8.304 3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 639 1.462 -5.937 5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 639 2.956 -6.821 5.906 1.00 0.00 H new ATOM 0 HH21 ARG A 639 2.265 -9.402 3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 639 3.406 -8.763 4.801 1.00 0.00 H new ATOM 231 N ARG A 640 -2.320 -8.594 -0.451 1.00 0.00 N ATOM 232 CA ARG A 640 -3.244 -9.693 -0.788 1.00 0.00 C ATOM 233 C ARG A 640 -2.457 -10.955 -1.188 1.00 0.00 C ATOM 234 O ARG A 640 -2.816 -12.070 -0.799 1.00 0.00 O ATOM 235 CB ARG A 640 -4.193 -9.277 -1.920 1.00 0.00 C ATOM 236 CG ARG A 640 -5.559 -9.947 -1.860 1.00 0.00 C ATOM 237 CD ARG A 640 -6.459 -9.481 -2.992 1.00 0.00 C ATOM 238 NE ARG A 640 -7.779 -10.120 -2.943 1.00 0.00 N ATOM 239 CZ ARG A 640 -8.794 -9.840 -3.773 1.00 0.00 C ATOM 240 NH1 ARG A 640 -8.668 -8.928 -4.735 1.00 0.00 N ATOM 241 NH2 ARG A 640 -9.946 -10.484 -3.638 1.00 0.00 N ATOM 0 H ARG A 640 -2.378 -7.790 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 640 -3.841 -9.919 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -4.328 -8.196 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -3.726 -9.512 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -5.437 -11.029 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -6.032 -9.726 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -6.578 -8.399 -2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -5.984 -9.703 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 640 -7.936 -10.828 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -7.787 -8.427 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -9.453 -8.730 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -10.055 -11.187 -2.907 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -10.723 -10.277 -4.266 1.00 0.00 H new ATOM 255 N GLN A 641 -1.385 -10.749 -1.968 1.00 0.00 N ATOM 256 CA GLN A 641 -0.514 -11.834 -2.425 1.00 0.00 C ATOM 257 C GLN A 641 0.690 -11.987 -1.472 1.00 0.00 C ATOM 258 O GLN A 641 0.749 -11.321 -0.434 1.00 0.00 O ATOM 259 CB GLN A 641 -0.050 -11.546 -3.863 1.00 0.00 C ATOM 260 CG GLN A 641 0.138 -12.794 -4.714 1.00 0.00 C ATOM 261 CD GLN A 641 0.556 -12.471 -6.135 1.00 0.00 C ATOM 262 OE1 GLN A 641 -0.285 -12.295 -7.017 1.00 0.00 O ATOM 263 NE2 GLN A 641 1.862 -12.393 -6.364 1.00 0.00 N ATOM 0 H GLN A 641 -1.101 -9.826 -2.297 1.00 0.00 H new ATOM 0 HA GLN A 641 -1.066 -12.774 -2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 641 -0.779 -10.896 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 641 0.891 -10.998 -3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 641 0.891 -13.433 -4.254 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -0.793 -13.361 -4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 641 2.523 -12.546 -5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 641 2.204 -12.180 -7.301 1.00 0.00 H new ATOM 272 N LEU A 642 1.642 -12.868 -1.828 1.00 0.00 N ATOM 273 CA LEU A 642 2.837 -13.113 -1.006 1.00 0.00 C ATOM 274 C LEU A 642 3.955 -12.095 -1.313 1.00 0.00 C ATOM 275 O LEU A 642 5.120 -12.463 -1.518 1.00 0.00 O ATOM 276 CB LEU A 642 3.334 -14.555 -1.222 1.00 0.00 C ATOM 277 CG LEU A 642 2.418 -15.662 -0.681 1.00 0.00 C ATOM 278 CD1 LEU A 642 1.366 -16.053 -1.711 1.00 0.00 C ATOM 279 CD2 LEU A 642 3.239 -16.876 -0.272 1.00 0.00 C ATOM 0 H LEU A 642 1.605 -13.423 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 642 2.563 -12.985 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 642 3.475 -14.715 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 642 4.313 -14.657 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 642 1.902 -15.276 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 642 0.731 -16.839 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 642 0.756 -15.184 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 642 1.858 -16.417 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 642 2.576 -17.652 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 642 3.782 -17.256 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 642 3.948 -16.591 0.505 1.00 0.00 H new ATOM 291 N LEU A 643 3.582 -10.807 -1.329 1.00 0.00 N ATOM 292 CA LEU A 643 4.524 -9.715 -1.603 1.00 0.00 C ATOM 293 C LEU A 643 4.293 -8.537 -0.646 1.00 0.00 C ATOM 294 O LEU A 643 3.308 -8.516 0.095 1.00 0.00 O ATOM 295 CB LEU A 643 4.392 -9.254 -3.067 1.00 0.00 C ATOM 296 CG LEU A 643 4.919 -10.239 -4.119 1.00 0.00 C ATOM 297 CD1 LEU A 643 4.149 -10.087 -5.421 1.00 0.00 C ATOM 298 CD2 LEU A 643 6.410 -10.028 -4.361 1.00 0.00 C ATOM 0 H LEU A 643 2.627 -10.496 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 643 5.536 -10.087 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 643 3.340 -9.056 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 643 4.923 -8.309 -3.181 1.00 0.00 H new ATOM 0 HG LEU A 643 4.772 -11.251 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 643 4.535 -10.793 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 643 3.092 -10.289 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 643 4.267 -9.071 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 643 6.761 -10.737 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 643 6.581 -9.012 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 643 6.955 -10.184 -3.430 1.00 0.00 H new ATOM 310 N GLU A 644 5.230 -7.571 -0.648 1.00 0.00 N ATOM 311 CA GLU A 644 5.144 -6.378 0.213 1.00 0.00 C ATOM 312 C GLU A 644 5.824 -5.183 -0.473 1.00 0.00 C ATOM 313 O GLU A 644 6.922 -4.775 -0.069 1.00 0.00 O ATOM 314 CB GLU A 644 5.791 -6.667 1.584 1.00 0.00 C ATOM 315 CG GLU A 644 4.924 -7.504 2.514 1.00 0.00 C ATOM 316 CD GLU A 644 5.581 -7.753 3.857 1.00 0.00 C ATOM 317 OE1 GLU A 644 5.409 -6.916 4.768 1.00 0.00 O ATOM 318 OE2 GLU A 644 6.270 -8.786 3.998 1.00 0.00 O ATOM 0 H GLU A 644 6.060 -7.595 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 644 4.095 -6.128 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 644 6.738 -7.182 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 644 6.021 -5.720 2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 644 3.971 -6.999 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 644 4.705 -8.460 2.038 1.00 0.00 H new ATOM 325 N VAL A 645 5.189 -4.617 -1.529 1.00 0.00 N ATOM 326 CA VAL A 645 5.864 -3.546 -2.285 1.00 0.00 C ATOM 327 C VAL A 645 5.881 -2.119 -1.631 1.00 0.00 C ATOM 328 O VAL A 645 6.846 -1.791 -0.936 1.00 0.00 O ATOM 329 CB VAL A 645 5.166 -3.482 -3.697 1.00 0.00 C ATOM 330 CG1 VAL A 645 5.702 -2.344 -4.567 1.00 0.00 C ATOM 331 CG2 VAL A 645 5.334 -4.805 -4.441 1.00 0.00 C ATOM 0 H VAL A 645 4.258 -4.871 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 645 6.921 -3.811 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 645 4.109 -3.291 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 645 5.187 -2.347 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 645 5.531 -1.391 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 645 6.771 -2.482 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 645 4.845 -4.740 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 645 6.395 -5.011 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 645 4.882 -5.609 -3.860 1.00 0.00 H new ATOM 341 N PHE A 646 4.791 -1.323 -1.753 1.00 0.00 N ATOM 342 CA PHE A 646 4.737 0.025 -1.152 1.00 0.00 C ATOM 343 C PHE A 646 4.271 -0.007 0.291 1.00 0.00 C ATOM 344 O PHE A 646 4.994 0.323 1.235 1.00 0.00 O ATOM 345 CB PHE A 646 3.901 0.981 -2.005 1.00 0.00 C ATOM 346 CG PHE A 646 4.724 1.851 -2.918 1.00 0.00 C ATOM 347 CD1 PHE A 646 5.042 1.432 -4.200 1.00 0.00 C ATOM 348 CD2 PHE A 646 5.181 3.087 -2.492 1.00 0.00 C ATOM 349 CE1 PHE A 646 5.797 2.229 -5.039 1.00 0.00 C ATOM 350 CE2 PHE A 646 5.937 3.889 -3.326 1.00 0.00 C ATOM 351 CZ PHE A 646 6.245 3.460 -4.601 1.00 0.00 C ATOM 0 H PHE A 646 3.946 -1.591 -2.258 1.00 0.00 H new ATOM 0 HA PHE A 646 5.756 0.410 -1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 646 3.200 0.401 -2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 646 3.308 1.617 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 646 4.695 0.470 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 646 4.944 3.429 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 646 6.037 1.890 -6.036 1.00 0.00 H new ATOM 0 HE2 PHE A 646 6.286 4.851 -2.980 1.00 0.00 H new ATOM 0 HZ PHE A 646 6.835 4.085 -5.255 1.00 0.00 H new ATOM 361 N TRP A 647 3.006 -0.427 0.392 1.00 0.00 N ATOM 362 CA TRP A 647 2.256 -0.596 1.614 1.00 0.00 C ATOM 363 C TRP A 647 2.893 -1.696 2.505 1.00 0.00 C ATOM 364 O TRP A 647 2.727 -1.664 3.710 1.00 0.00 O ATOM 365 CB TRP A 647 0.733 -0.787 1.283 1.00 0.00 C ATOM 366 CG TRP A 647 0.008 -1.763 2.182 1.00 0.00 C ATOM 367 CD1 TRP A 647 -0.538 -2.945 1.812 1.00 0.00 C ATOM 368 CD2 TRP A 647 -0.226 -1.650 3.604 1.00 0.00 C ATOM 369 NE1 TRP A 647 -1.099 -3.569 2.893 1.00 0.00 N ATOM 370 CE2 TRP A 647 -0.920 -2.802 4.001 1.00 0.00 C ATOM 371 CE3 TRP A 647 0.080 -0.695 4.573 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -1.312 -3.028 5.319 1.00 0.00 C ATOM 373 CZ3 TRP A 647 -0.304 -0.918 5.881 1.00 0.00 C ATOM 374 CH2 TRP A 647 -0.994 -2.077 6.244 1.00 0.00 C ATOM 0 H TRP A 647 2.457 -0.669 -0.433 1.00 0.00 H new ATOM 0 HA TRP A 647 2.307 0.305 2.225 1.00 0.00 H new ATOM 0 HB2 TRP A 647 0.237 0.182 1.347 1.00 0.00 H new ATOM 0 HB3 TRP A 647 0.639 -1.126 0.251 1.00 0.00 H new ATOM 0 HD1 TRP A 647 -0.532 -3.340 0.807 1.00 0.00 H new ATOM 0 HE1 TRP A 647 -1.577 -4.470 2.871 1.00 0.00 H new ATOM 0 HE3 TRP A 647 0.610 0.207 4.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -1.848 -3.923 5.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 -0.067 -0.183 6.636 1.00 0.00 H new ATOM 0 HH2 TRP A 647 -1.281 -2.223 7.275 1.00 0.00 H new ATOM 385 N GLY A 648 3.487 -2.730 1.896 1.00 0.00 N ATOM 386 CA GLY A 648 4.100 -3.814 2.667 1.00 0.00 C ATOM 387 C GLY A 648 5.603 -3.692 2.960 1.00 0.00 C ATOM 388 O GLY A 648 6.103 -4.473 3.777 1.00 0.00 O ATOM 0 H GLY A 648 3.555 -2.837 0.884 1.00 0.00 H new ATOM 0 HA2 GLY A 648 3.574 -3.894 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 648 3.933 -4.748 2.131 1.00 0.00 H new ATOM 392 N GLN A 649 6.348 -2.766 2.318 1.00 0.00 N ATOM 393 CA GLN A 649 7.797 -2.629 2.608 1.00 0.00 C ATOM 394 C GLN A 649 8.081 -1.959 3.978 1.00 0.00 C ATOM 395 O GLN A 649 7.603 -0.860 4.243 1.00 0.00 O ATOM 396 CB GLN A 649 8.490 -1.838 1.492 1.00 0.00 C ATOM 397 CG GLN A 649 9.926 -2.273 1.225 1.00 0.00 C ATOM 398 CD GLN A 649 10.585 -1.468 0.123 1.00 0.00 C ATOM 399 OE1 GLN A 649 10.509 -1.824 -1.053 1.00 0.00 O ATOM 400 NE2 GLN A 649 11.239 -0.375 0.499 1.00 0.00 N ATOM 0 H GLN A 649 5.987 -2.119 1.616 1.00 0.00 H new ATOM 0 HA GLN A 649 8.201 -3.640 2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 649 7.912 -1.943 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 649 8.484 -0.780 1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 649 10.508 -2.172 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 649 9.937 -3.329 0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 649 11.277 -0.117 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 649 11.704 0.207 -0.198 1.00 0.00 H new ATOM 409 N ASP A 650 8.865 -2.673 4.829 1.00 0.00 N ATOM 410 CA ASP A 650 9.314 -2.237 6.195 1.00 0.00 C ATOM 411 C ASP A 650 8.500 -1.060 6.814 1.00 0.00 C ATOM 412 O ASP A 650 7.275 -1.102 6.822 1.00 0.00 O ATOM 413 CB ASP A 650 10.813 -1.896 6.128 1.00 0.00 C ATOM 414 CG ASP A 650 11.533 -2.148 7.441 1.00 0.00 C ATOM 415 OD1 ASP A 650 11.512 -1.253 8.312 1.00 0.00 O ATOM 416 OD2 ASP A 650 12.118 -3.241 7.597 1.00 0.00 O ATOM 0 H ASP A 650 9.217 -3.598 4.583 1.00 0.00 H new ATOM 0 HA ASP A 650 9.128 -3.072 6.871 1.00 0.00 H new ATOM 0 HB2 ASP A 650 11.281 -2.489 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 650 10.931 -0.849 5.850 1.00 0.00 H new ATOM 421 N HIS A 651 9.201 -0.028 7.354 1.00 0.00 N ATOM 422 CA HIS A 651 8.570 1.180 7.957 1.00 0.00 C ATOM 423 C HIS A 651 7.554 1.807 6.992 1.00 0.00 C ATOM 424 O HIS A 651 6.477 2.251 7.389 1.00 0.00 O ATOM 425 CB HIS A 651 9.637 2.213 8.341 1.00 0.00 C ATOM 426 CG HIS A 651 10.517 1.782 9.476 1.00 0.00 C ATOM 427 ND1 HIS A 651 11.809 1.333 9.298 1.00 0.00 N ATOM 428 CD2 HIS A 651 10.286 1.738 10.810 1.00 0.00 C ATOM 429 CE1 HIS A 651 12.334 1.030 10.472 1.00 0.00 C ATOM 430 NE2 HIS A 651 11.430 1.267 11.405 1.00 0.00 N ATOM 0 H HIS A 651 10.220 -0.009 7.384 1.00 0.00 H new ATOM 0 HA HIS A 651 8.043 0.868 8.859 1.00 0.00 H new ATOM 0 HB2 HIS A 651 10.259 2.420 7.470 1.00 0.00 H new ATOM 0 HB3 HIS A 651 9.144 3.147 8.610 1.00 0.00 H new ATOM 0 HD2 HIS A 651 9.372 2.021 11.312 1.00 0.00 H new ATOM 0 HE1 HIS A 651 13.332 0.653 10.640 1.00 0.00 H new ATOM 0 HE2 HIS A 651 11.561 1.123 12.406 1.00 0.00 H new ATOM 439 N LYS A 652 7.943 1.782 5.718 1.00 0.00 N ATOM 440 CA LYS A 652 7.187 2.284 4.560 1.00 0.00 C ATOM 441 C LYS A 652 5.720 1.811 4.521 1.00 0.00 C ATOM 442 O LYS A 652 4.863 2.514 3.984 1.00 0.00 O ATOM 443 CB LYS A 652 7.888 1.890 3.257 1.00 0.00 C ATOM 444 CG LYS A 652 9.134 2.711 2.956 1.00 0.00 C ATOM 445 CD LYS A 652 9.775 2.290 1.643 1.00 0.00 C ATOM 446 CE LYS A 652 11.012 3.118 1.336 1.00 0.00 C ATOM 447 NZ LYS A 652 11.645 2.715 0.050 1.00 0.00 N ATOM 0 H LYS A 652 8.844 1.390 5.446 1.00 0.00 H new ATOM 0 HA LYS A 652 7.163 3.368 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 652 8.162 0.836 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 652 7.185 1.997 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 652 8.872 3.768 2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 652 9.853 2.594 3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 652 10.045 1.235 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 652 9.053 2.398 0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 652 10.741 4.173 1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 652 11.733 3.007 2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 12.056 3.551 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 12.394 2.018 0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 10.927 2.294 -0.573 1.00 0.00 H new ATOM 461 N VAL A 653 5.454 0.613 5.078 1.00 0.00 N ATOM 462 CA VAL A 653 4.142 -0.074 4.980 1.00 0.00 C ATOM 463 C VAL A 653 2.915 0.831 5.216 1.00 0.00 C ATOM 464 O VAL A 653 2.171 1.065 4.279 1.00 0.00 O ATOM 465 CB VAL A 653 4.062 -1.268 6.021 1.00 0.00 C ATOM 466 CG1 VAL A 653 4.992 -2.399 5.649 1.00 0.00 C ATOM 467 CG2 VAL A 653 4.366 -0.836 7.464 1.00 0.00 C ATOM 0 H VAL A 653 6.145 0.088 5.613 1.00 0.00 H new ATOM 0 HA VAL A 653 4.097 -0.424 3.949 1.00 0.00 H new ATOM 0 HB VAL A 653 3.028 -1.610 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 653 4.908 -3.197 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 653 4.722 -2.784 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 653 6.019 -2.033 5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 653 4.294 -1.700 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 653 5.373 -0.422 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 653 3.647 -0.079 7.776 1.00 0.00 H new ATOM 477 N ASP A 654 2.702 1.297 6.430 1.00 0.00 N ATOM 478 CA ASP A 654 1.640 2.254 6.761 1.00 0.00 C ATOM 479 C ASP A 654 2.081 3.652 6.338 1.00 0.00 C ATOM 480 O ASP A 654 1.280 4.536 6.027 1.00 0.00 O ATOM 481 CB ASP A 654 1.158 2.169 8.211 1.00 0.00 C ATOM 482 CG ASP A 654 2.279 2.111 9.238 1.00 0.00 C ATOM 483 OD1 ASP A 654 2.719 0.991 9.573 1.00 0.00 O ATOM 484 OD2 ASP A 654 2.713 3.185 9.705 1.00 0.00 O ATOM 0 H ASP A 654 3.266 1.023 7.235 1.00 0.00 H new ATOM 0 HA ASP A 654 0.749 1.988 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 654 0.529 3.033 8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 654 0.532 1.284 8.323 1.00 0.00 H new ATOM 489 N PHE A 655 3.410 3.797 6.396 1.00 0.00 N ATOM 490 CA PHE A 655 4.151 5.035 6.156 1.00 0.00 C ATOM 491 C PHE A 655 3.769 5.668 4.848 1.00 0.00 C ATOM 492 O PHE A 655 3.776 6.898 4.736 1.00 0.00 O ATOM 493 CB PHE A 655 5.657 4.808 6.204 1.00 0.00 C ATOM 494 CG PHE A 655 6.347 5.569 7.304 1.00 0.00 C ATOM 495 CD1 PHE A 655 6.509 5.006 8.560 1.00 0.00 C ATOM 496 CD2 PHE A 655 6.834 6.847 7.080 1.00 0.00 C ATOM 497 CE1 PHE A 655 7.143 5.703 9.571 1.00 0.00 C ATOM 498 CE2 PHE A 655 7.469 7.549 8.087 1.00 0.00 C ATOM 499 CZ PHE A 655 7.624 6.976 9.334 1.00 0.00 C ATOM 0 H PHE A 655 4.025 3.015 6.623 1.00 0.00 H new ATOM 0 HA PHE A 655 3.880 5.719 6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 655 5.851 3.743 6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.090 5.097 5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 655 6.135 4.011 8.751 1.00 0.00 H new ATOM 0 HD2 PHE A 655 6.716 7.300 6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 655 7.262 5.253 10.545 1.00 0.00 H new ATOM 0 HE2 PHE A 655 7.844 8.544 7.899 1.00 0.00 H new ATOM 0 HZ PHE A 655 8.120 7.522 10.122 1.00 0.00 H new ATOM 509 N ILE A 656 3.461 4.817 3.846 1.00 0.00 N ATOM 510 CA ILE A 656 3.113 5.314 2.516 1.00 0.00 C ATOM 511 C ILE A 656 2.138 6.509 2.600 1.00 0.00 C ATOM 512 O ILE A 656 2.529 7.625 2.250 1.00 0.00 O ATOM 513 CB ILE A 656 2.450 4.226 1.561 1.00 0.00 C ATOM 514 CG1 ILE A 656 1.848 2.994 2.261 1.00 0.00 C ATOM 515 CG2 ILE A 656 3.467 3.717 0.555 1.00 0.00 C ATOM 516 CD1 ILE A 656 0.892 3.318 3.345 1.00 0.00 C ATOM 0 H ILE A 656 3.448 3.801 3.938 1.00 0.00 H new ATOM 0 HA ILE A 656 4.070 5.609 2.085 1.00 0.00 H new ATOM 0 HB ILE A 656 1.624 4.763 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 656 1.342 2.379 1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 656 2.658 2.393 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 656 2.999 2.974 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 656 3.828 4.549 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 656 4.305 3.263 1.083 1.00 0.00 H new ATOM 0 HD11 ILE A 656 0.515 2.395 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 656 1.397 3.906 4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 656 0.060 3.892 2.937 1.00 0.00 H new ATOM 528 N LEU A 657 0.934 6.327 3.135 1.00 0.00 N ATOM 529 CA LEU A 657 -0.032 7.430 3.208 1.00 0.00 C ATOM 530 C LEU A 657 0.428 8.558 4.149 1.00 0.00 C ATOM 531 O LEU A 657 0.234 9.736 3.833 1.00 0.00 O ATOM 532 CB LEU A 657 -1.445 6.906 3.539 1.00 0.00 C ATOM 533 CG LEU A 657 -2.461 7.961 4.066 1.00 0.00 C ATOM 534 CD1 LEU A 657 -3.871 7.659 3.605 1.00 0.00 C ATOM 535 CD2 LEU A 657 -2.433 8.048 5.588 1.00 0.00 C ATOM 0 H LEU A 657 0.603 5.442 3.520 1.00 0.00 H new ATOM 0 HA LEU A 657 -0.084 7.886 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -1.860 6.449 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -1.352 6.117 4.285 1.00 0.00 H new ATOM 0 HG LEU A 657 -2.156 8.921 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -4.551 8.417 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -3.906 7.663 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -4.172 6.679 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -3.154 8.794 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -2.691 7.078 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 657 -1.434 8.335 5.918 1.00 0.00 H new ATOM 547 N GLN A 658 1.023 8.199 5.299 1.00 0.00 N ATOM 548 CA GLN A 658 1.515 9.191 6.284 1.00 0.00 C ATOM 549 C GLN A 658 2.521 10.195 5.674 1.00 0.00 C ATOM 550 O GLN A 658 2.908 11.169 6.329 1.00 0.00 O ATOM 551 CB GLN A 658 2.159 8.479 7.479 1.00 0.00 C ATOM 552 CG GLN A 658 1.159 7.802 8.405 1.00 0.00 C ATOM 553 CD GLN A 658 1.821 7.163 9.609 1.00 0.00 C ATOM 554 OE1 GLN A 658 1.982 7.797 10.653 1.00 0.00 O ATOM 555 NE2 GLN A 658 2.210 5.902 9.470 1.00 0.00 N ATOM 0 H GLN A 658 1.177 7.229 5.574 1.00 0.00 H new ATOM 0 HA GLN A 658 0.646 9.761 6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 658 2.861 7.731 7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 658 2.738 9.203 8.052 1.00 0.00 H new ATOM 0 HG2 GLN A 658 0.428 8.536 8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 658 0.612 7.041 7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 658 2.056 5.415 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 658 2.663 5.419 10.246 1.00 0.00 H new ATOM 564 N ARG A 659 2.926 9.947 4.417 1.00 0.00 N ATOM 565 CA ARG A 659 3.861 10.815 3.694 1.00 0.00 C ATOM 566 C ARG A 659 3.094 11.904 2.914 1.00 0.00 C ATOM 567 O ARG A 659 1.896 12.102 3.142 1.00 0.00 O ATOM 568 CB ARG A 659 4.744 9.971 2.750 1.00 0.00 C ATOM 569 CG ARG A 659 5.733 9.051 3.466 1.00 0.00 C ATOM 570 CD ARG A 659 7.023 9.776 3.833 1.00 0.00 C ATOM 571 NE ARG A 659 7.959 8.903 4.550 1.00 0.00 N ATOM 572 CZ ARG A 659 9.165 9.280 4.999 1.00 0.00 C ATOM 573 NH1 ARG A 659 9.611 10.522 4.818 1.00 0.00 N ATOM 574 NH2 ARG A 659 9.931 8.401 5.632 1.00 0.00 N ATOM 0 H ARG A 659 2.613 9.140 3.877 1.00 0.00 H new ATOM 0 HA ARG A 659 4.510 11.315 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 659 4.099 9.366 2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 659 5.299 10.642 2.095 1.00 0.00 H new ATOM 0 HG2 ARG A 659 5.270 8.654 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 659 5.965 8.200 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 659 7.499 10.151 2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 659 6.789 10.642 4.452 1.00 0.00 H new ATOM 0 HE ARG A 659 7.671 7.939 4.719 1.00 0.00 H new ATOM 0 HH11 ARG A 659 9.032 11.206 4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 659 10.531 10.789 5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 659 9.601 7.446 5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 659 10.850 8.680 5.977 1.00 0.00 H new ATOM 588 N GLU A 660 3.787 12.603 2.001 1.00 0.00 N ATOM 589 CA GLU A 660 3.180 13.682 1.210 1.00 0.00 C ATOM 590 C GLU A 660 2.584 13.211 -0.141 1.00 0.00 C ATOM 591 O GLU A 660 1.497 13.675 -0.498 1.00 0.00 O ATOM 592 CB GLU A 660 4.203 14.798 0.962 1.00 0.00 C ATOM 593 CG GLU A 660 4.456 15.678 2.178 1.00 0.00 C ATOM 594 CD GLU A 660 5.490 16.754 1.913 1.00 0.00 C ATOM 595 OE1 GLU A 660 6.692 16.486 2.119 1.00 0.00 O ATOM 596 OE2 GLU A 660 5.098 17.866 1.499 1.00 0.00 O ATOM 0 H GLU A 660 4.772 12.438 1.793 1.00 0.00 H new ATOM 0 HA GLU A 660 2.346 14.055 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 660 5.145 14.351 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.854 15.422 0.139 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.520 16.146 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.789 15.056 3.009 1.00 0.00 H new ATOM 603 N PRO A 661 3.250 12.290 -0.929 1.00 0.00 N ATOM 604 CA PRO A 661 2.724 11.837 -2.246 1.00 0.00 C ATOM 605 C PRO A 661 1.349 11.159 -2.180 1.00 0.00 C ATOM 606 O PRO A 661 0.975 10.581 -1.155 1.00 0.00 O ATOM 607 CB PRO A 661 3.778 10.837 -2.739 1.00 0.00 C ATOM 608 CG PRO A 661 5.011 11.175 -1.982 1.00 0.00 C ATOM 609 CD PRO A 661 4.543 11.624 -0.632 1.00 0.00 C ATOM 0 HA PRO A 661 2.568 12.692 -2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 661 3.467 9.810 -2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 661 3.937 10.928 -3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 661 5.671 10.311 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 661 5.576 11.961 -2.483 1.00 0.00 H new ATOM 0 HD2 PRO A 661 4.416 10.784 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 661 5.252 12.309 -0.167 1.00 0.00 H new ATOM 617 N TYR A 662 0.611 11.248 -3.301 1.00 0.00 N ATOM 618 CA TYR A 662 -0.737 10.664 -3.439 1.00 0.00 C ATOM 619 C TYR A 662 -0.704 9.133 -3.549 1.00 0.00 C ATOM 620 O TYR A 662 -1.551 8.447 -2.972 1.00 0.00 O ATOM 621 CB TYR A 662 -1.448 11.257 -4.661 1.00 0.00 C ATOM 622 CG TYR A 662 -1.820 12.716 -4.504 1.00 0.00 C ATOM 623 CD1 TYR A 662 -3.047 13.086 -3.968 1.00 0.00 C ATOM 624 CD2 TYR A 662 -0.944 13.721 -4.893 1.00 0.00 C ATOM 625 CE1 TYR A 662 -3.391 14.416 -3.823 1.00 0.00 C ATOM 626 CE2 TYR A 662 -1.280 15.054 -4.751 1.00 0.00 C ATOM 627 CZ TYR A 662 -2.504 15.396 -4.216 1.00 0.00 C ATOM 628 OH TYR A 662 -2.842 16.723 -4.073 1.00 0.00 O ATOM 0 H TYR A 662 0.934 11.729 -4.141 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.288 10.915 -2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -0.803 11.148 -5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -2.352 10.681 -4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -3.744 12.321 -3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 662 0.015 13.457 -5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -4.349 14.687 -3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -0.587 15.824 -5.058 1.00 0.00 H new ATOM 0 HH TYR A 662 -2.107 17.285 -4.396 1.00 0.00 H new ATOM 638 N CYS A 663 0.269 8.612 -4.315 1.00 0.00 N ATOM 639 CA CYS A 663 0.445 7.161 -4.529 1.00 0.00 C ATOM 640 C CYS A 663 0.571 6.385 -3.208 1.00 0.00 C ATOM 641 O CYS A 663 0.025 5.289 -3.063 1.00 0.00 O ATOM 642 CB CYS A 663 1.677 6.904 -5.401 1.00 0.00 C ATOM 643 SG CYS A 663 1.596 7.671 -7.036 1.00 0.00 S ATOM 0 H CYS A 663 0.958 9.183 -4.805 1.00 0.00 H new ATOM 0 HA CYS A 663 -0.450 6.800 -5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 663 2.561 7.274 -4.881 1.00 0.00 H new ATOM 0 HB3 CYS A 663 1.805 5.828 -5.522 1.00 0.00 H new ATOM 0 HG CYS A 663 2.682 7.400 -7.697 1.00 0.00 H new ATOM 649 N ARG A 664 1.305 6.965 -2.253 1.00 0.00 N ATOM 650 CA ARG A 664 1.535 6.364 -0.954 1.00 0.00 C ATOM 651 C ARG A 664 0.255 6.483 -0.123 1.00 0.00 C ATOM 652 O ARG A 664 -0.119 5.580 0.638 1.00 0.00 O ATOM 653 CB ARG A 664 2.749 7.008 -0.270 1.00 0.00 C ATOM 654 CG ARG A 664 4.026 7.005 -1.107 1.00 0.00 C ATOM 655 CD ARG A 664 5.223 7.491 -0.306 1.00 0.00 C ATOM 656 NE ARG A 664 6.455 7.490 -1.103 1.00 0.00 N ATOM 657 CZ ARG A 664 7.685 7.697 -0.610 1.00 0.00 C ATOM 658 NH1 ARG A 664 7.878 7.926 0.688 1.00 0.00 N ATOM 659 NH2 ARG A 664 8.730 7.674 -1.427 1.00 0.00 N ATOM 0 H ARG A 664 1.756 7.872 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 664 1.772 5.305 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 664 2.501 8.038 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 664 2.942 6.484 0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 664 4.218 5.997 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 664 3.890 7.642 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 664 5.029 8.499 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 664 5.357 6.854 0.569 1.00 0.00 H new ATOM 0 HE ARG A 664 6.370 7.319 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 664 7.083 7.946 1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 664 8.821 8.081 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 664 8.595 7.500 -2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 664 9.668 7.831 -1.059 1.00 0.00 H new ATOM 673 N ASP A 665 -0.384 7.652 -0.284 1.00 0.00 N ATOM 674 CA ASP A 665 -1.658 7.999 0.349 1.00 0.00 C ATOM 675 C ASP A 665 -2.714 6.911 0.115 1.00 0.00 C ATOM 676 O ASP A 665 -3.473 6.590 1.009 1.00 0.00 O ATOM 677 CB ASP A 665 -2.160 9.346 -0.187 1.00 0.00 C ATOM 678 CG ASP A 665 -3.034 10.088 0.809 1.00 0.00 C ATOM 679 OD1 ASP A 665 -2.483 10.647 1.781 1.00 0.00 O ATOM 680 OD2 ASP A 665 -4.267 10.113 0.614 1.00 0.00 O ATOM 0 H ASP A 665 -0.016 8.399 -0.874 1.00 0.00 H new ATOM 0 HA ASP A 665 -1.491 8.077 1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 665 -1.305 9.969 -0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -2.724 9.179 -1.105 1.00 0.00 H new ATOM 685 N ILE A 666 -2.704 6.330 -1.093 1.00 0.00 N ATOM 686 CA ILE A 666 -3.691 5.342 -1.512 1.00 0.00 C ATOM 687 C ILE A 666 -3.364 4.014 -0.855 1.00 0.00 C ATOM 688 O ILE A 666 -4.232 3.250 -0.482 1.00 0.00 O ATOM 689 CB ILE A 666 -3.801 5.232 -3.076 1.00 0.00 C ATOM 690 CG1 ILE A 666 -5.135 4.590 -3.496 1.00 0.00 C ATOM 691 CG2 ILE A 666 -2.634 4.465 -3.697 1.00 0.00 C ATOM 692 CD1 ILE A 666 -6.279 5.577 -3.629 1.00 0.00 C ATOM 0 H ILE A 666 -2.005 6.538 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 666 -4.679 5.663 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 666 -3.761 6.253 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -4.997 4.079 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -5.407 3.830 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -2.762 4.420 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -1.699 4.974 -3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -2.607 3.453 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -7.184 5.047 -3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -6.447 6.071 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -6.030 6.323 -4.383 1.00 0.00 H new ATOM 704 N ASN A 667 -2.062 3.771 -0.780 1.00 0.00 N ATOM 705 CA ASN A 667 -1.491 2.559 -0.238 1.00 0.00 C ATOM 706 C ASN A 667 -2.039 2.165 1.162 1.00 0.00 C ATOM 707 O ASN A 667 -2.684 1.122 1.272 1.00 0.00 O ATOM 708 CB ASN A 667 0.011 2.758 -0.248 1.00 0.00 C ATOM 709 CG ASN A 667 0.713 2.032 -1.373 1.00 0.00 C ATOM 710 OD1 ASN A 667 1.159 0.901 -1.207 1.00 0.00 O ATOM 711 ND2 ASN A 667 0.814 2.681 -2.527 1.00 0.00 N ATOM 0 H ASN A 667 -1.359 4.435 -1.106 1.00 0.00 H new ATOM 0 HA ASN A 667 -1.780 1.708 -0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 667 0.227 3.824 -0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 667 0.420 2.418 0.703 1.00 0.00 H new ATOM 0 HD21 ASN A 667 1.278 2.240 -3.321 1.00 0.00 H new ATOM 0 HD22 ASN A 667 0.428 3.621 -2.619 1.00 0.00 H new ATOM 718 N GLN A 668 -1.829 2.973 2.226 1.00 0.00 N ATOM 719 CA GLN A 668 -2.408 2.618 3.555 1.00 0.00 C ATOM 720 C GLN A 668 -3.899 2.864 3.507 1.00 0.00 C ATOM 721 O GLN A 668 -4.690 2.099 4.047 1.00 0.00 O ATOM 722 CB GLN A 668 -1.745 3.320 4.778 1.00 0.00 C ATOM 723 CG GLN A 668 -2.622 4.285 5.577 1.00 0.00 C ATOM 724 CD GLN A 668 -1.961 4.721 6.871 1.00 0.00 C ATOM 725 OE1 GLN A 668 -1.179 5.671 6.897 1.00 0.00 O ATOM 726 NE2 GLN A 668 -2.272 4.023 7.957 1.00 0.00 N ATOM 0 H GLN A 668 -1.289 3.838 2.204 1.00 0.00 H new ATOM 0 HA GLN A 668 -2.194 1.563 3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -1.382 2.549 5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -0.872 3.868 4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -2.841 5.163 4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -3.575 3.806 5.801 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -2.925 3.242 7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -1.858 4.268 8.856 1.00 0.00 H new ATOM 735 N LEU A 669 -4.252 3.959 2.837 1.00 0.00 N ATOM 736 CA LEU A 669 -5.630 4.366 2.649 1.00 0.00 C ATOM 737 C LEU A 669 -6.447 3.183 2.130 1.00 0.00 C ATOM 738 O LEU A 669 -7.343 2.692 2.817 1.00 0.00 O ATOM 739 CB LEU A 669 -5.638 5.500 1.627 1.00 0.00 C ATOM 740 CG LEU A 669 -6.681 6.611 1.850 1.00 0.00 C ATOM 741 CD1 LEU A 669 -6.304 7.864 1.073 1.00 0.00 C ATOM 742 CD2 LEU A 669 -8.076 6.147 1.438 1.00 0.00 C ATOM 0 H LEU A 669 -3.577 4.591 2.407 1.00 0.00 H new ATOM 0 HA LEU A 669 -6.070 4.700 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -4.648 5.957 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -5.802 5.069 0.639 1.00 0.00 H new ATOM 0 HG LEU A 669 -6.694 6.843 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -7.053 8.637 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -5.331 8.221 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -6.258 7.632 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -8.792 6.952 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -8.073 5.879 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -8.361 5.278 2.032 1.00 0.00 H new ATOM 754 N SER A 670 -6.054 2.674 0.957 1.00 0.00 N ATOM 755 CA SER A 670 -6.725 1.534 0.345 1.00 0.00 C ATOM 756 C SER A 670 -6.495 0.245 1.144 1.00 0.00 C ATOM 757 O SER A 670 -7.465 -0.321 1.657 1.00 0.00 O ATOM 758 CB SER A 670 -6.289 1.347 -1.113 1.00 0.00 C ATOM 759 OG SER A 670 -6.730 2.425 -1.919 1.00 0.00 O ATOM 0 H SER A 670 -5.271 3.039 0.415 1.00 0.00 H new ATOM 0 HA SER A 670 -7.793 1.749 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 670 -5.203 1.271 -1.164 1.00 0.00 H new ATOM 0 HB3 SER A 670 -6.693 0.411 -1.499 1.00 0.00 H new ATOM 0 HG SER A 670 -7.314 2.085 -2.629 1.00 0.00 H new ATOM 765 N GLU A 671 -5.228 -0.230 1.278 1.00 0.00 N ATOM 766 CA GLU A 671 -5.006 -1.481 2.012 1.00 0.00 C ATOM 767 C GLU A 671 -5.104 -1.335 3.529 1.00 0.00 C ATOM 768 O GLU A 671 -5.980 -1.958 4.136 1.00 0.00 O ATOM 769 CB GLU A 671 -3.704 -2.169 1.635 1.00 0.00 C ATOM 770 CG GLU A 671 -3.845 -3.684 1.466 1.00 0.00 C ATOM 771 CD GLU A 671 -4.247 -4.424 2.739 1.00 0.00 C ATOM 772 OE1 GLU A 671 -3.516 -4.330 3.747 1.00 0.00 O ATOM 773 OE2 GLU A 671 -5.299 -5.097 2.723 1.00 0.00 O ATOM 0 H GLU A 671 -4.390 0.216 0.904 1.00 0.00 H new ATOM 0 HA GLU A 671 -5.831 -2.119 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -3.331 -1.740 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -2.958 -1.964 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -4.588 -3.884 0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -2.897 -4.088 1.109 1.00 0.00 H new ATOM 780 N ALA A 672 -4.208 -0.530 4.153 1.00 0.00 N ATOM 781 CA ALA A 672 -4.239 -0.379 5.634 1.00 0.00 C ATOM 782 C ALA A 672 -5.620 -0.014 6.232 1.00 0.00 C ATOM 783 O ALA A 672 -5.986 -0.573 7.269 1.00 0.00 O ATOM 784 CB ALA A 672 -3.208 0.618 6.109 1.00 0.00 C ATOM 0 H ALA A 672 -3.481 0.006 3.679 1.00 0.00 H new ATOM 0 HA ALA A 672 -4.002 -1.377 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -3.258 0.704 7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -2.214 0.280 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -3.408 1.590 5.659 1.00 0.00 H new ATOM 790 N LEU A 673 -6.387 0.907 5.603 1.00 0.00 N ATOM 791 CA LEU A 673 -7.700 1.313 6.147 1.00 0.00 C ATOM 792 C LEU A 673 -8.779 0.231 5.965 1.00 0.00 C ATOM 793 O LEU A 673 -9.555 -0.030 6.889 1.00 0.00 O ATOM 794 CB LEU A 673 -8.160 2.639 5.524 1.00 0.00 C ATOM 795 CG LEU A 673 -9.113 3.490 6.378 1.00 0.00 C ATOM 796 CD1 LEU A 673 -8.881 4.969 6.113 1.00 0.00 C ATOM 797 CD2 LEU A 673 -10.565 3.127 6.095 1.00 0.00 C ATOM 0 H LEU A 673 -6.124 1.374 4.735 1.00 0.00 H new ATOM 0 HA LEU A 673 -7.565 1.450 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -7.277 3.236 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -8.651 2.421 4.575 1.00 0.00 H new ATOM 0 HG LEU A 673 -8.906 3.283 7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -9.563 5.560 6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -7.852 5.227 6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -9.061 5.183 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -11.221 3.742 6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -10.786 3.303 5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -10.729 2.075 6.329 1.00 0.00 H new ATOM 809 N LEU A 674 -8.820 -0.389 4.774 1.00 0.00 N ATOM 810 CA LEU A 674 -9.810 -1.436 4.462 1.00 0.00 C ATOM 811 C LEU A 674 -9.521 -2.752 5.196 1.00 0.00 C ATOM 812 O LEU A 674 -10.444 -3.403 5.693 1.00 0.00 O ATOM 813 CB LEU A 674 -9.873 -1.682 2.947 1.00 0.00 C ATOM 814 CG LEU A 674 -10.907 -0.843 2.177 1.00 0.00 C ATOM 815 CD1 LEU A 674 -10.377 0.557 1.886 1.00 0.00 C ATOM 816 CD2 LEU A 674 -11.294 -1.543 0.883 1.00 0.00 C ATOM 0 H LEU A 674 -8.178 -0.183 4.009 1.00 0.00 H new ATOM 0 HA LEU A 674 -10.776 -1.073 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -8.887 -1.487 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -10.090 -2.737 2.778 1.00 0.00 H new ATOM 0 HG LEU A 674 -11.793 -0.742 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -11.131 1.125 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -10.150 1.062 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -9.471 0.485 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -12.026 -0.939 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -10.408 -1.675 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -11.725 -2.518 1.111 1.00 0.00 H new ATOM 828 N SER A 675 -8.235 -3.132 5.258 1.00 0.00 N ATOM 829 CA SER A 675 -7.802 -4.373 5.923 1.00 0.00 C ATOM 830 C SER A 675 -8.003 -4.312 7.446 1.00 0.00 C ATOM 831 O SER A 675 -8.439 -5.293 8.056 1.00 0.00 O ATOM 832 CB SER A 675 -6.331 -4.655 5.597 1.00 0.00 C ATOM 833 OG SER A 675 -5.947 -5.953 6.023 1.00 0.00 O ATOM 0 H SER A 675 -7.470 -2.593 4.852 1.00 0.00 H new ATOM 0 HA SER A 675 -8.424 -5.184 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 675 -6.170 -4.560 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 675 -5.700 -3.910 6.081 1.00 0.00 H new ATOM 0 HG SER A 675 -5.005 -6.105 5.800 1.00 0.00 H new ATOM 839 N LEU A 676 -7.682 -3.153 8.044 1.00 0.00 N ATOM 840 CA LEU A 676 -7.812 -2.942 9.496 1.00 0.00 C ATOM 841 C LEU A 676 -9.282 -2.822 9.931 1.00 0.00 C ATOM 842 O LEU A 676 -9.672 -3.375 10.963 1.00 0.00 O ATOM 843 CB LEU A 676 -7.030 -1.685 9.914 1.00 0.00 C ATOM 844 CG LEU A 676 -6.560 -1.641 11.377 1.00 0.00 C ATOM 845 CD1 LEU A 676 -5.246 -0.883 11.488 1.00 0.00 C ATOM 846 CD2 LEU A 676 -7.616 -0.995 12.266 1.00 0.00 C ATOM 0 H LEU A 676 -7.327 -2.341 7.539 1.00 0.00 H new ATOM 0 HA LEU A 676 -7.395 -3.816 9.997 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -6.156 -1.594 9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -7.656 -0.813 9.728 1.00 0.00 H new ATOM 0 HG LEU A 676 -6.406 -2.665 11.716 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -4.926 -0.860 12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -4.486 -1.381 10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -5.383 0.137 11.128 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -7.261 -0.975 13.296 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -7.803 0.024 11.927 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -8.540 -1.571 12.211 1.00 0.00 H new ATOM 858 N ASN A 677 -10.087 -2.097 9.135 1.00 0.00 N ATOM 859 CA ASN A 677 -11.513 -1.887 9.431 1.00 0.00 C ATOM 860 C ASN A 677 -12.335 -3.168 9.204 1.00 0.00 C ATOM 861 O ASN A 677 -13.073 -3.599 10.095 1.00 0.00 O ATOM 862 CB ASN A 677 -12.063 -0.734 8.578 1.00 0.00 C ATOM 863 CG ASN A 677 -13.257 -0.045 9.216 1.00 0.00 C ATOM 864 OD1 ASN A 677 -13.105 0.912 9.975 1.00 0.00 O ATOM 865 ND2 ASN A 677 -14.454 -0.532 8.910 1.00 0.00 N ATOM 0 H ASN A 677 -9.771 -1.645 8.277 1.00 0.00 H new ATOM 0 HA ASN A 677 -11.603 -1.625 10.485 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -11.273 -0.002 8.413 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -12.351 -1.118 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -15.293 -0.111 9.309 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -14.534 -1.327 8.276 1.00 0.00 H new ATOM 872 N PHE A 678 -12.198 -3.766 8.007 1.00 0.00 N ATOM 873 CA PHE A 678 -12.917 -4.999 7.652 1.00 0.00 C ATOM 874 C PHE A 678 -12.345 -6.222 8.379 1.00 0.00 C ATOM 875 O PHE A 678 -11.151 -6.534 8.173 1.00 0.00 O ATOM 876 CB PHE A 678 -12.885 -5.220 6.135 1.00 0.00 C ATOM 877 CG PHE A 678 -13.795 -4.298 5.371 1.00 0.00 C ATOM 878 CD1 PHE A 678 -13.339 -3.072 4.916 1.00 0.00 C ATOM 879 CD2 PHE A 678 -15.107 -4.662 5.106 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.174 -2.224 4.213 1.00 0.00 C ATOM 881 CE2 PHE A 678 -15.946 -3.818 4.403 1.00 0.00 C ATOM 882 CZ PHE A 678 -15.479 -2.598 3.956 1.00 0.00 C ATOM 883 OXT PHE A 678 -13.098 -6.856 9.148 1.00 0.00 O ATOM 0 H PHE A 678 -11.592 -3.412 7.267 1.00 0.00 H new ATOM 0 HA PHE A 678 -13.952 -4.878 7.973 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -11.864 -5.086 5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -13.164 -6.252 5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -12.319 -2.775 5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -15.477 -5.615 5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -13.807 -1.270 3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -16.966 -4.113 4.204 1.00 0.00 H new ATOM 0 HZ PHE A 678 -16.133 -1.937 3.406 1.00 0.00 H new