USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 448 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= 0 X(o=0,f=-0.24) USER MOD Set 1.2: A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 631 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 632 THR OG1 : rot 180:sc= 0 USER MOD Single : A 635 THR OG1 : rot -175:sc= -1.54! USER MOD Single : A 641 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 651 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 658 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 663 CYS SG : rot 180:sc= -0.266 USER MOD Single : A 667 ASN :FLIP amide:sc= -4.01! C(o=-14!,f=-4!) USER MOD Single : A 668 GLN :FLIP amide:sc= 0 F(o=-2.5!,f=0) USER MOD Single : A 670 SER OG : rot -140:sc= 0.00218 USER MOD Single : A 675 SER OG : rot 180:sc= 0 USER MOD Single : A 677 ASN :FLIP amide:sc= 1.04 F(o=-0.32,f=1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 627 3.318 8.186 -9.016 1.00 0.00 N ATOM 2 CA GLY A 627 2.077 7.795 -9.741 1.00 0.00 C ATOM 3 C GLY A 627 2.356 7.323 -11.154 1.00 0.00 C ATOM 4 O GLY A 627 3.174 7.920 -11.861 1.00 0.00 O ATOM 0 HA2 GLY A 627 1.572 7.002 -9.189 1.00 0.00 H new ATOM 0 HA3 GLY A 627 1.395 8.645 -9.773 1.00 0.00 H new ATOM 10 N GLY A 628 1.672 6.248 -11.559 1.00 0.00 N ATOM 11 CA GLY A 628 1.848 5.695 -12.894 1.00 0.00 C ATOM 12 C GLY A 628 0.545 5.210 -13.498 1.00 0.00 C ATOM 13 O GLY A 628 -0.379 6.002 -13.705 1.00 0.00 O ATOM 0 H GLY A 628 0.996 5.750 -10.980 1.00 0.00 H new ATOM 0 HA2 GLY A 628 2.285 6.454 -13.543 1.00 0.00 H new ATOM 0 HA3 GLY A 628 2.555 4.867 -12.850 1.00 0.00 H new ATOM 17 N ILE A 629 0.478 3.905 -13.779 1.00 0.00 N ATOM 18 CA ILE A 629 -0.717 3.291 -14.366 1.00 0.00 C ATOM 19 C ILE A 629 -1.582 2.612 -13.282 1.00 0.00 C ATOM 20 O ILE A 629 -2.813 2.682 -13.334 1.00 0.00 O ATOM 21 CB ILE A 629 -0.335 2.295 -15.524 1.00 0.00 C ATOM 22 CG1 ILE A 629 -1.578 1.814 -16.298 1.00 0.00 C ATOM 23 CG2 ILE A 629 0.474 1.094 -15.022 1.00 0.00 C ATOM 24 CD1 ILE A 629 -2.010 2.750 -17.411 1.00 0.00 C ATOM 0 H ILE A 629 1.242 3.251 -13.608 1.00 0.00 H new ATOM 0 HA ILE A 629 -1.320 4.083 -14.811 1.00 0.00 H new ATOM 0 HB ILE A 629 0.300 2.859 -16.207 1.00 0.00 H new ATOM 0 HG12 ILE A 629 -1.372 0.832 -16.723 1.00 0.00 H new ATOM 0 HG13 ILE A 629 -2.405 1.692 -15.598 1.00 0.00 H new ATOM 0 HG21 ILE A 629 0.711 0.439 -15.860 1.00 0.00 H new ATOM 0 HG22 ILE A 629 1.398 1.444 -14.563 1.00 0.00 H new ATOM 0 HG23 ILE A 629 -0.111 0.543 -14.286 1.00 0.00 H new ATOM 0 HD11 ILE A 629 -2.890 2.342 -17.908 1.00 0.00 H new ATOM 0 HD12 ILE A 629 -2.250 3.727 -16.992 1.00 0.00 H new ATOM 0 HD13 ILE A 629 -1.201 2.854 -18.134 1.00 0.00 H new ATOM 36 N ARG A 630 -0.921 1.964 -12.315 1.00 0.00 N ATOM 37 CA ARG A 630 -1.612 1.277 -11.221 1.00 0.00 C ATOM 38 C ARG A 630 -1.035 1.693 -9.871 1.00 0.00 C ATOM 39 O ARG A 630 0.169 1.943 -9.754 1.00 0.00 O ATOM 40 CB ARG A 630 -1.513 -0.243 -11.388 1.00 0.00 C ATOM 41 CG ARG A 630 -2.390 -0.796 -12.503 1.00 0.00 C ATOM 42 CD ARG A 630 -2.289 -2.310 -12.595 1.00 0.00 C ATOM 43 NE ARG A 630 -3.097 -2.849 -13.695 1.00 0.00 N ATOM 44 CZ ARG A 630 -3.018 -4.105 -14.157 1.00 0.00 C ATOM 45 NH1 ARG A 630 -2.168 -4.983 -13.626 1.00 0.00 N ATOM 46 NH2 ARG A 630 -3.800 -4.485 -15.158 1.00 0.00 N ATOM 0 H ARG A 630 0.096 1.902 -12.270 1.00 0.00 H new ATOM 0 HA ARG A 630 -2.663 1.565 -11.254 1.00 0.00 H new ATOM 0 HB2 ARG A 630 -0.475 -0.511 -11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 630 -1.790 -0.721 -10.449 1.00 0.00 H new ATOM 0 HG2 ARG A 630 -3.427 -0.510 -12.327 1.00 0.00 H new ATOM 0 HG3 ARG A 630 -2.094 -0.352 -13.454 1.00 0.00 H new ATOM 0 HD2 ARG A 630 -1.247 -2.596 -12.737 1.00 0.00 H new ATOM 0 HD3 ARG A 630 -2.616 -2.753 -11.654 1.00 0.00 H new ATOM 0 HE ARG A 630 -3.767 -2.223 -14.140 1.00 0.00 H new ATOM 0 HH11 ARG A 630 -1.563 -4.704 -12.854 1.00 0.00 H new ATOM 0 HH12 ARG A 630 -2.123 -5.934 -13.992 1.00 0.00 H new ATOM 0 HH21 ARG A 630 -4.457 -3.823 -15.572 1.00 0.00 H new ATOM 0 HH22 ARG A 630 -3.745 -5.439 -15.514 1.00 0.00 H new ATOM 60 N LYS A 631 -1.906 1.763 -8.860 1.00 0.00 N ATOM 61 CA LYS A 631 -1.506 2.159 -7.503 1.00 0.00 C ATOM 62 C LYS A 631 -2.041 1.173 -6.458 1.00 0.00 C ATOM 63 O LYS A 631 -1.442 1.001 -5.392 1.00 0.00 O ATOM 64 CB LYS A 631 -2.002 3.582 -7.185 1.00 0.00 C ATOM 65 CG LYS A 631 -1.453 4.672 -8.111 1.00 0.00 C ATOM 66 CD LYS A 631 -2.316 4.851 -9.356 1.00 0.00 C ATOM 67 CE LYS A 631 -1.770 5.940 -10.270 1.00 0.00 C ATOM 68 NZ LYS A 631 -1.995 7.306 -9.716 1.00 0.00 N ATOM 0 H LYS A 631 -2.899 1.550 -8.955 1.00 0.00 H new ATOM 0 HA LYS A 631 -0.417 2.146 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 631 -3.091 3.593 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 631 -1.731 3.826 -6.158 1.00 0.00 H new ATOM 0 HG2 LYS A 631 -1.399 5.616 -7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 631 -0.436 4.417 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 631 -2.366 3.909 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 631 -3.334 5.102 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 631 -0.702 5.783 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 631 -2.246 5.864 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 631 -1.607 8.015 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 631 -3.015 7.468 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 631 -1.520 7.390 -8.795 1.00 0.00 H new ATOM 82 N THR A 632 -3.175 0.533 -6.782 1.00 0.00 N ATOM 83 CA THR A 632 -3.831 -0.458 -5.908 1.00 0.00 C ATOM 84 C THR A 632 -3.049 -1.776 -5.849 1.00 0.00 C ATOM 85 O THR A 632 -2.946 -2.408 -4.796 1.00 0.00 O ATOM 86 CB THR A 632 -5.271 -0.767 -6.380 1.00 0.00 C ATOM 87 OG1 THR A 632 -5.280 -1.042 -7.786 1.00 0.00 O ATOM 88 CG2 THR A 632 -6.215 0.389 -6.079 1.00 0.00 C ATOM 0 H THR A 632 -3.667 0.688 -7.662 1.00 0.00 H new ATOM 0 HA THR A 632 -3.858 -0.010 -4.915 1.00 0.00 H new ATOM 0 HB THR A 632 -5.619 -1.643 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 632 -6.196 -1.238 -8.075 1.00 0.00 H new ATOM 0 HG21 THR A 632 -7.218 0.139 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 632 -6.235 0.572 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 632 -5.868 1.285 -6.593 1.00 0.00 H new ATOM 96 N ARG A 633 -2.528 -2.182 -7.011 1.00 0.00 N ATOM 97 CA ARG A 633 -1.767 -3.429 -7.183 1.00 0.00 C ATOM 98 C ARG A 633 -0.605 -3.615 -6.185 1.00 0.00 C ATOM 99 O ARG A 633 -0.418 -4.717 -5.676 1.00 0.00 O ATOM 100 CB ARG A 633 -1.225 -3.503 -8.616 1.00 0.00 C ATOM 101 CG ARG A 633 -1.138 -4.919 -9.173 1.00 0.00 C ATOM 102 CD ARG A 633 -0.443 -4.945 -10.525 1.00 0.00 C ATOM 103 NE ARG A 633 -0.359 -6.302 -11.075 1.00 0.00 N ATOM 104 CZ ARG A 633 0.321 -6.637 -12.181 1.00 0.00 C ATOM 105 NH1 ARG A 633 0.991 -5.724 -12.881 1.00 0.00 N ATOM 106 NH2 ARG A 633 0.327 -7.899 -12.588 1.00 0.00 N ATOM 0 H ARG A 633 -2.623 -1.647 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 633 -2.469 -4.238 -6.980 1.00 0.00 H new ATOM 0 HB2 ARG A 633 -1.864 -2.906 -9.267 1.00 0.00 H new ATOM 0 HB3 ARG A 633 -0.233 -3.052 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 633 -0.596 -5.554 -8.472 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -2.141 -5.335 -9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -0.983 -4.304 -11.222 1.00 0.00 H new ATOM 0 HD3 ARG A 633 0.561 -4.532 -10.424 1.00 0.00 H new ATOM 0 HE ARG A 633 -0.854 -7.044 -10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 633 0.993 -4.750 -12.579 1.00 0.00 H new ATOM 0 HH12 ARG A 633 1.502 -5.999 -13.720 1.00 0.00 H new ATOM 0 HH21 ARG A 633 -0.183 -8.607 -12.061 1.00 0.00 H new ATOM 0 HH22 ARG A 633 0.842 -8.161 -13.428 1.00 0.00 H new ATOM 120 N GLU A 634 0.150 -2.548 -5.875 1.00 0.00 N ATOM 121 CA GLU A 634 1.311 -2.659 -5.016 1.00 0.00 C ATOM 122 C GLU A 634 0.901 -2.856 -3.575 1.00 0.00 C ATOM 123 O GLU A 634 1.476 -3.676 -2.885 1.00 0.00 O ATOM 124 CB GLU A 634 2.209 -1.420 -5.155 1.00 0.00 C ATOM 125 CG GLU A 634 2.922 -1.313 -6.503 1.00 0.00 C ATOM 126 CD GLU A 634 2.035 -0.750 -7.601 1.00 0.00 C ATOM 127 OE1 GLU A 634 1.355 -1.547 -8.281 1.00 0.00 O ATOM 128 OE2 GLU A 634 2.022 0.486 -7.778 1.00 0.00 O ATOM 0 H GLU A 634 -0.034 -1.604 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 634 1.879 -3.535 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 634 1.603 -0.527 -5.005 1.00 0.00 H new ATOM 0 HB3 GLU A 634 2.956 -1.435 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 634 3.802 -0.679 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 634 3.276 -2.300 -6.800 1.00 0.00 H new ATOM 135 N THR A 635 -0.131 -2.117 -3.154 1.00 0.00 N ATOM 136 CA THR A 635 -0.610 -2.155 -1.775 1.00 0.00 C ATOM 137 C THR A 635 -1.363 -3.427 -1.375 1.00 0.00 C ATOM 138 O THR A 635 -0.896 -4.182 -0.526 1.00 0.00 O ATOM 139 CB THR A 635 -1.464 -0.905 -1.445 1.00 0.00 C ATOM 140 OG1 THR A 635 -2.030 -1.019 -0.139 1.00 0.00 O ATOM 141 CG2 THR A 635 -2.578 -0.633 -2.462 1.00 0.00 C ATOM 0 H THR A 635 -0.652 -1.481 -3.758 1.00 0.00 H new ATOM 0 HA THR A 635 0.301 -2.158 -1.176 1.00 0.00 H new ATOM 0 HB THR A 635 -0.780 -0.057 -1.491 1.00 0.00 H new ATOM 0 HG1 THR A 635 -2.628 -0.260 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 635 -3.133 0.257 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 635 -2.140 -0.475 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 635 -3.254 -1.487 -2.498 1.00 0.00 H new ATOM 149 N GLU A 636 -2.502 -3.676 -1.999 1.00 0.00 N ATOM 150 CA GLU A 636 -3.321 -4.820 -1.643 1.00 0.00 C ATOM 151 C GLU A 636 -2.731 -6.158 -2.111 1.00 0.00 C ATOM 152 O GLU A 636 -2.784 -7.132 -1.364 1.00 0.00 O ATOM 153 CB GLU A 636 -4.787 -4.581 -2.028 1.00 0.00 C ATOM 154 CG GLU A 636 -5.047 -4.342 -3.515 1.00 0.00 C ATOM 155 CD GLU A 636 -6.515 -4.120 -3.823 1.00 0.00 C ATOM 156 OE1 GLU A 636 -7.221 -5.114 -4.093 1.00 0.00 O ATOM 157 OE2 GLU A 636 -6.958 -2.953 -3.794 1.00 0.00 O ATOM 0 H GLU A 636 -2.879 -3.102 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 636 -3.312 -4.918 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -5.373 -5.443 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -5.155 -3.720 -1.470 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -4.475 -3.475 -3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -4.685 -5.198 -4.085 1.00 0.00 H new ATOM 164 N ARG A 637 -2.153 -6.209 -3.326 1.00 0.00 N ATOM 165 CA ARG A 637 -1.534 -7.449 -3.832 1.00 0.00 C ATOM 166 C ARG A 637 -0.303 -7.835 -2.986 1.00 0.00 C ATOM 167 O ARG A 637 -0.098 -9.019 -2.703 1.00 0.00 O ATOM 168 CB ARG A 637 -1.153 -7.323 -5.313 1.00 0.00 C ATOM 169 CG ARG A 637 -1.216 -8.635 -6.095 1.00 0.00 C ATOM 170 CD ARG A 637 -2.615 -8.908 -6.636 1.00 0.00 C ATOM 171 NE ARG A 637 -2.676 -10.163 -7.393 1.00 0.00 N ATOM 172 CZ ARG A 637 -3.759 -10.608 -8.046 1.00 0.00 C ATOM 173 NH1 ARG A 637 -4.896 -9.914 -8.051 1.00 0.00 N ATOM 174 NH2 ARG A 637 -3.701 -11.760 -8.700 1.00 0.00 N ATOM 0 H ARG A 637 -2.102 -5.418 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 637 -2.275 -8.244 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -1.817 -6.600 -5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 637 -0.142 -6.921 -5.383 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -0.507 -8.599 -6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -0.910 -9.458 -5.449 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -3.322 -8.949 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 637 -2.923 -8.082 -7.277 1.00 0.00 H new ATOM 0 HE ARG A 637 -1.834 -10.738 -7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -4.954 -9.026 -7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -5.709 -10.270 -8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -2.836 -12.301 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -4.521 -12.105 -9.199 1.00 0.00 H new ATOM 188 N LEU A 638 0.517 -6.825 -2.596 1.00 0.00 N ATOM 189 CA LEU A 638 1.724 -7.042 -1.758 1.00 0.00 C ATOM 190 C LEU A 638 1.369 -7.811 -0.483 1.00 0.00 C ATOM 191 O LEU A 638 1.895 -8.884 -0.185 1.00 0.00 O ATOM 192 CB LEU A 638 2.390 -5.666 -1.374 1.00 0.00 C ATOM 193 CG LEU A 638 1.825 -4.896 -0.124 1.00 0.00 C ATOM 194 CD1 LEU A 638 2.415 -5.402 1.172 1.00 0.00 C ATOM 195 CD2 LEU A 638 2.081 -3.412 -0.181 1.00 0.00 C ATOM 0 H LEU A 638 0.363 -5.849 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 638 2.432 -7.630 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 638 3.452 -5.845 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 638 2.312 -5.005 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 638 0.752 -5.083 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 638 1.995 -4.841 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 638 2.179 -6.460 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 638 3.497 -5.271 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 638 1.668 -2.937 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 638 3.155 -3.229 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 638 1.606 -2.995 -1.069 1.00 0.00 H new ATOM 207 N ARG A 639 0.454 -7.187 0.233 1.00 0.00 N ATOM 208 CA ARG A 639 -0.048 -7.630 1.524 1.00 0.00 C ATOM 209 C ARG A 639 -0.934 -8.891 1.444 1.00 0.00 C ATOM 210 O ARG A 639 -0.826 -9.768 2.307 1.00 0.00 O ATOM 211 CB ARG A 639 -0.757 -6.425 2.187 1.00 0.00 C ATOM 212 CG ARG A 639 -1.085 -6.612 3.677 1.00 0.00 C ATOM 213 CD ARG A 639 0.134 -6.415 4.576 1.00 0.00 C ATOM 214 NE ARG A 639 1.024 -7.582 4.560 1.00 0.00 N ATOM 215 CZ ARG A 639 2.031 -7.787 5.421 1.00 0.00 C ATOM 216 NH1 ARG A 639 2.303 -6.910 6.386 1.00 0.00 N ATOM 217 NH2 ARG A 639 2.768 -8.884 5.316 1.00 0.00 N ATOM 0 H ARG A 639 0.020 -6.319 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 639 0.787 -7.954 2.145 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -0.126 -5.543 2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -1.683 -6.224 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -1.863 -5.905 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -1.489 -7.612 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 639 0.686 -5.534 4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -0.196 -6.225 5.597 1.00 0.00 H new ATOM 0 HE ARG A 639 0.865 -8.288 3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 639 1.741 -6.064 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 639 3.074 -7.084 7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 639 2.567 -9.565 4.584 1.00 0.00 H new ATOM 0 HH22 ARG A 639 3.536 -9.047 5.967 1.00 0.00 H new ATOM 231 N ARG A 640 -1.800 -8.984 0.422 1.00 0.00 N ATOM 232 CA ARG A 640 -2.703 -10.141 0.266 1.00 0.00 C ATOM 233 C ARG A 640 -1.965 -11.466 -0.013 1.00 0.00 C ATOM 234 O ARG A 640 -2.172 -12.441 0.715 1.00 0.00 O ATOM 235 CB ARG A 640 -3.738 -9.882 -0.835 1.00 0.00 C ATOM 236 CG ARG A 640 -4.920 -9.044 -0.374 1.00 0.00 C ATOM 237 CD ARG A 640 -5.944 -8.866 -1.483 1.00 0.00 C ATOM 238 NE ARG A 640 -7.095 -8.069 -1.046 1.00 0.00 N ATOM 239 CZ ARG A 640 -8.247 -7.955 -1.723 1.00 0.00 C ATOM 240 NH1 ARG A 640 -8.430 -8.583 -2.883 1.00 0.00 N ATOM 241 NH2 ARG A 640 -9.223 -7.204 -1.231 1.00 0.00 N ATOM 0 H ARG A 640 -1.896 -8.277 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 640 -3.206 -10.254 1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -3.250 -9.379 -1.670 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -4.105 -10.838 -1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -5.392 -9.521 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -4.567 -8.067 -0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -5.472 -8.382 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -6.287 -9.844 -1.820 1.00 0.00 H new ATOM 0 HE ARG A 640 -7.013 -7.565 -0.163 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -7.687 -9.163 -3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -9.314 -8.484 -3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -9.095 -6.718 -0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -10.102 -7.112 -1.740 1.00 0.00 H new ATOM 255 N GLN A 641 -1.109 -11.506 -1.056 1.00 0.00 N ATOM 256 CA GLN A 641 -0.383 -12.744 -1.407 1.00 0.00 C ATOM 257 C GLN A 641 1.047 -12.492 -1.900 1.00 0.00 C ATOM 258 O GLN A 641 1.962 -13.242 -1.546 1.00 0.00 O ATOM 259 CB GLN A 641 -1.152 -13.532 -2.480 1.00 0.00 C ATOM 260 CG GLN A 641 -2.381 -14.254 -1.950 1.00 0.00 C ATOM 261 CD GLN A 641 -3.116 -15.023 -3.030 1.00 0.00 C ATOM 262 OE1 GLN A 641 -2.831 -16.194 -3.279 1.00 0.00 O ATOM 263 NE2 GLN A 641 -4.071 -14.365 -3.679 1.00 0.00 N ATOM 0 H GLN A 641 -0.906 -10.710 -1.660 1.00 0.00 H new ATOM 0 HA GLN A 641 -0.313 -13.321 -0.485 1.00 0.00 H new ATOM 0 HB2 GLN A 641 -1.458 -12.847 -3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 641 -0.480 -14.262 -2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 641 -2.081 -14.942 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -3.059 -13.528 -1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 641 -4.274 -13.394 -3.440 1.00 0.00 H new ATOM 0 HE22 GLN A 641 -4.601 -14.831 -4.416 1.00 0.00 H new ATOM 272 N LEU A 642 1.237 -11.441 -2.714 1.00 0.00 N ATOM 273 CA LEU A 642 2.557 -11.106 -3.287 1.00 0.00 C ATOM 274 C LEU A 642 3.547 -10.595 -2.212 1.00 0.00 C ATOM 275 O LEU A 642 3.318 -10.789 -1.016 1.00 0.00 O ATOM 276 CB LEU A 642 2.372 -10.075 -4.416 1.00 0.00 C ATOM 277 CG LEU A 642 3.405 -10.144 -5.549 1.00 0.00 C ATOM 278 CD1 LEU A 642 2.954 -11.111 -6.637 1.00 0.00 C ATOM 279 CD2 LEU A 642 3.646 -8.759 -6.132 1.00 0.00 C ATOM 0 H LEU A 642 0.491 -10.804 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 642 2.997 -12.015 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 642 1.379 -10.206 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 642 2.402 -9.076 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 642 4.342 -10.515 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 642 3.702 -11.143 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 642 2.834 -12.107 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 642 2.003 -10.776 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 642 4.381 -8.825 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 642 2.711 -8.363 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 642 4.019 -8.096 -5.352 1.00 0.00 H new ATOM 291 N LEU A 643 4.657 -9.968 -2.652 1.00 0.00 N ATOM 292 CA LEU A 643 5.682 -9.440 -1.741 1.00 0.00 C ATOM 293 C LEU A 643 5.309 -8.037 -1.252 1.00 0.00 C ATOM 294 O LEU A 643 4.736 -7.250 -2.003 1.00 0.00 O ATOM 295 CB LEU A 643 7.048 -9.411 -2.447 1.00 0.00 C ATOM 296 CG LEU A 643 8.280 -9.460 -1.529 1.00 0.00 C ATOM 297 CD1 LEU A 643 9.426 -10.183 -2.219 1.00 0.00 C ATOM 298 CD2 LEU A 643 8.712 -8.054 -1.128 1.00 0.00 C ATOM 0 H LEU A 643 4.863 -9.817 -3.639 1.00 0.00 H new ATOM 0 HA LEU A 643 5.742 -10.097 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 643 7.098 -10.255 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 643 7.104 -8.505 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 643 8.010 -10.008 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 643 10.291 -10.209 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 643 9.122 -11.202 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 643 9.688 -9.657 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 643 9.585 -8.113 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 643 8.962 -7.482 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 643 7.898 -7.561 -0.597 1.00 0.00 H new ATOM 310 N GLU A 644 5.673 -7.739 0.007 1.00 0.00 N ATOM 311 CA GLU A 644 5.380 -6.445 0.661 1.00 0.00 C ATOM 312 C GLU A 644 6.052 -5.256 -0.059 1.00 0.00 C ATOM 313 O GLU A 644 7.139 -4.818 0.343 1.00 0.00 O ATOM 314 CB GLU A 644 5.833 -6.519 2.127 1.00 0.00 C ATOM 315 CG GLU A 644 4.874 -7.277 3.033 1.00 0.00 C ATOM 316 CD GLU A 644 5.284 -7.217 4.491 1.00 0.00 C ATOM 317 OE1 GLU A 644 4.853 -6.276 5.190 1.00 0.00 O ATOM 318 OE2 GLU A 644 6.035 -8.111 4.934 1.00 0.00 O ATOM 0 H GLU A 644 6.181 -8.390 0.605 1.00 0.00 H new ATOM 0 HA GLU A 644 4.306 -6.268 0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 644 6.812 -6.996 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 644 5.955 -5.506 2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 644 3.872 -6.863 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 644 4.825 -8.318 2.715 1.00 0.00 H new ATOM 325 N VAL A 645 5.420 -4.739 -1.143 1.00 0.00 N ATOM 326 CA VAL A 645 6.071 -3.674 -1.924 1.00 0.00 C ATOM 327 C VAL A 645 6.028 -2.216 -1.329 1.00 0.00 C ATOM 328 O VAL A 645 6.957 -1.835 -0.613 1.00 0.00 O ATOM 329 CB VAL A 645 5.386 -3.701 -3.344 1.00 0.00 C ATOM 330 CG1 VAL A 645 5.852 -2.558 -4.250 1.00 0.00 C ATOM 331 CG2 VAL A 645 5.652 -5.032 -4.042 1.00 0.00 C ATOM 0 H VAL A 645 4.502 -5.030 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 645 7.139 -3.893 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 645 4.317 -3.574 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 645 5.347 -2.628 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 645 5.612 -1.603 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 645 6.929 -2.628 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 645 5.172 -5.032 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 645 6.726 -5.170 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 645 5.248 -5.846 -3.440 1.00 0.00 H new ATOM 341 N PHE A 646 4.922 -1.451 -1.520 1.00 0.00 N ATOM 342 CA PHE A 646 4.819 -0.077 -0.981 1.00 0.00 C ATOM 343 C PHE A 646 4.291 -0.046 0.445 1.00 0.00 C ATOM 344 O PHE A 646 4.971 0.337 1.399 1.00 0.00 O ATOM 345 CB PHE A 646 4.028 0.833 -1.930 1.00 0.00 C ATOM 346 CG PHE A 646 4.893 1.572 -2.917 1.00 0.00 C ATOM 347 CD1 PHE A 646 5.511 2.764 -2.567 1.00 0.00 C ATOM 348 CD2 PHE A 646 5.086 1.074 -4.194 1.00 0.00 C ATOM 349 CE1 PHE A 646 6.304 3.442 -3.473 1.00 0.00 C ATOM 350 CE2 PHE A 646 5.878 1.748 -5.105 1.00 0.00 C ATOM 351 CZ PHE A 646 6.487 2.934 -4.744 1.00 0.00 C ATOM 0 H PHE A 646 4.100 -1.761 -2.038 1.00 0.00 H new ATOM 0 HA PHE A 646 5.830 0.325 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 646 3.301 0.231 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 646 3.464 1.556 -1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 646 5.371 3.167 -1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 646 4.612 0.147 -4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 646 6.780 4.368 -3.187 1.00 0.00 H new ATOM 0 HE2 PHE A 646 6.020 1.348 -6.098 1.00 0.00 H new ATOM 0 HZ PHE A 646 7.105 3.463 -5.454 1.00 0.00 H new ATOM 361 N TRP A 647 3.024 -0.477 0.519 1.00 0.00 N ATOM 362 CA TRP A 647 2.228 -0.603 1.724 1.00 0.00 C ATOM 363 C TRP A 647 2.887 -1.593 2.723 1.00 0.00 C ATOM 364 O TRP A 647 2.675 -1.474 3.916 1.00 0.00 O ATOM 365 CB TRP A 647 0.724 -0.892 1.342 1.00 0.00 C ATOM 366 CG TRP A 647 -0.019 -1.816 2.284 1.00 0.00 C ATOM 367 CD1 TRP A 647 -0.573 -3.012 1.966 1.00 0.00 C ATOM 368 CD2 TRP A 647 -0.281 -1.626 3.693 1.00 0.00 C ATOM 369 NE1 TRP A 647 -1.162 -3.572 3.066 1.00 0.00 N ATOM 370 CE2 TRP A 647 -0.993 -2.751 4.137 1.00 0.00 C ATOM 371 CE3 TRP A 647 0.016 -0.625 4.620 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -1.411 -2.906 5.457 1.00 0.00 C ATOM 373 CZ3 TRP A 647 -0.393 -0.778 5.930 1.00 0.00 C ATOM 374 CH2 TRP A 647 -1.101 -1.911 6.338 1.00 0.00 C ATOM 0 H TRP A 647 2.508 -0.760 -0.314 1.00 0.00 H new ATOM 0 HA TRP A 647 2.202 0.337 2.275 1.00 0.00 H new ATOM 0 HB2 TRP A 647 0.190 0.057 1.295 1.00 0.00 H new ATOM 0 HB3 TRP A 647 0.697 -1.323 0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 647 -0.552 -3.459 0.983 1.00 0.00 H new ATOM 0 HE1 TRP A 647 -1.652 -4.467 3.081 1.00 0.00 H new ATOM 0 HE3 TRP A 647 0.559 0.258 4.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -1.960 -3.781 5.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 -0.162 -0.008 6.652 1.00 0.00 H new ATOM 0 HH2 TRP A 647 -1.409 -2.001 7.369 1.00 0.00 H new ATOM 385 N GLY A 648 3.570 -2.634 2.225 1.00 0.00 N ATOM 386 CA GLY A 648 4.210 -3.607 3.114 1.00 0.00 C ATOM 387 C GLY A 648 5.714 -3.420 3.380 1.00 0.00 C ATOM 388 O GLY A 648 6.254 -4.156 4.213 1.00 0.00 O ATOM 0 H GLY A 648 3.691 -2.820 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 648 3.690 -3.585 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 648 4.061 -4.601 2.693 1.00 0.00 H new ATOM 392 N GLN A 649 6.418 -2.486 2.699 1.00 0.00 N ATOM 393 CA GLN A 649 7.862 -2.276 2.978 1.00 0.00 C ATOM 394 C GLN A 649 8.115 -1.461 4.274 1.00 0.00 C ATOM 395 O GLN A 649 7.576 -0.370 4.435 1.00 0.00 O ATOM 396 CB GLN A 649 8.535 -1.573 1.794 1.00 0.00 C ATOM 397 CG GLN A 649 9.984 -1.985 1.572 1.00 0.00 C ATOM 398 CD GLN A 649 10.618 -1.274 0.393 1.00 0.00 C ATOM 399 OE1 GLN A 649 11.201 -0.199 0.541 1.00 0.00 O ATOM 400 NE2 GLN A 649 10.508 -1.872 -0.788 1.00 0.00 N ATOM 0 H GLN A 649 6.028 -1.883 1.975 1.00 0.00 H new ATOM 0 HA GLN A 649 8.296 -3.265 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 649 7.965 -1.783 0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 649 8.495 -0.496 1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 649 10.560 -1.772 2.472 1.00 0.00 H new ATOM 0 HG3 GLN A 649 10.031 -3.062 1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 649 10.016 -2.762 -0.865 1.00 0.00 H new ATOM 0 HE22 GLN A 649 10.915 -1.441 -1.618 1.00 0.00 H new ATOM 409 N ASP A 650 8.947 -2.039 5.179 1.00 0.00 N ATOM 410 CA ASP A 650 9.379 -1.443 6.490 1.00 0.00 C ATOM 411 C ASP A 650 8.491 -0.272 7.012 1.00 0.00 C ATOM 412 O ASP A 650 7.272 -0.394 7.035 1.00 0.00 O ATOM 413 CB ASP A 650 10.848 -1.006 6.364 1.00 0.00 C ATOM 414 CG ASP A 650 11.609 -1.132 7.672 1.00 0.00 C ATOM 415 OD1 ASP A 650 11.501 -0.215 8.512 1.00 0.00 O ATOM 416 OD2 ASP A 650 12.311 -2.148 7.855 1.00 0.00 O ATOM 0 H ASP A 650 9.353 -2.961 5.020 1.00 0.00 H new ATOM 0 HA ASP A 650 9.259 -2.221 7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 650 11.339 -1.612 5.602 1.00 0.00 H new ATOM 0 HB3 ASP A 650 10.887 0.029 6.023 1.00 0.00 H new ATOM 421 N HIS A 651 9.122 0.849 7.453 1.00 0.00 N ATOM 422 CA HIS A 651 8.409 2.059 7.956 1.00 0.00 C ATOM 423 C HIS A 651 7.346 2.526 6.952 1.00 0.00 C ATOM 424 O HIS A 651 6.244 2.933 7.321 1.00 0.00 O ATOM 425 CB HIS A 651 9.402 3.194 8.233 1.00 0.00 C ATOM 426 CG HIS A 651 10.281 2.952 9.423 1.00 0.00 C ATOM 427 ND1 HIS A 651 9.834 3.060 10.723 1.00 0.00 N ATOM 428 CD2 HIS A 651 11.588 2.608 9.504 1.00 0.00 C ATOM 429 CE1 HIS A 651 10.827 2.793 11.552 1.00 0.00 C ATOM 430 NE2 HIS A 651 11.901 2.515 10.837 1.00 0.00 N ATOM 0 H HIS A 651 10.138 0.941 7.471 1.00 0.00 H new ATOM 0 HA HIS A 651 7.911 1.791 8.888 1.00 0.00 H new ATOM 0 HB2 HIS A 651 10.029 3.338 7.353 1.00 0.00 H new ATOM 0 HB3 HIS A 651 8.848 4.120 8.385 1.00 0.00 H new ATOM 0 HD2 HIS A 651 12.259 2.438 8.675 1.00 0.00 H new ATOM 0 HE1 HIS A 651 10.770 2.801 12.630 1.00 0.00 H new ATOM 0 HE2 HIS A 651 12.816 2.270 11.214 1.00 0.00 H new ATOM 439 N LYS A 652 7.730 2.418 5.681 1.00 0.00 N ATOM 440 CA LYS A 652 6.930 2.756 4.495 1.00 0.00 C ATOM 441 C LYS A 652 5.509 2.160 4.513 1.00 0.00 C ATOM 442 O LYS A 652 4.593 2.741 3.930 1.00 0.00 O ATOM 443 CB LYS A 652 7.655 2.314 3.219 1.00 0.00 C ATOM 444 CG LYS A 652 8.842 3.191 2.849 1.00 0.00 C ATOM 445 CD LYS A 652 9.497 2.725 1.559 1.00 0.00 C ATOM 446 CE LYS A 652 10.664 3.619 1.173 1.00 0.00 C ATOM 447 NZ LYS A 652 11.301 3.183 -0.101 1.00 0.00 N ATOM 0 H LYS A 652 8.658 2.074 5.433 1.00 0.00 H new ATOM 0 HA LYS A 652 6.816 3.840 4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 652 8.000 1.288 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 652 6.945 2.312 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 652 8.512 4.224 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 652 9.574 3.175 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 652 9.846 1.699 1.677 1.00 0.00 H new ATOM 0 HD3 LYS A 652 8.760 2.720 0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 652 10.316 4.647 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 652 11.406 3.611 1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 12.092 3.818 -0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 11.656 2.211 0.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 10.600 3.214 -0.868 1.00 0.00 H new ATOM 461 N VAL A 653 5.349 0.991 5.169 1.00 0.00 N ATOM 462 CA VAL A 653 4.097 0.194 5.143 1.00 0.00 C ATOM 463 C VAL A 653 2.809 1.021 5.321 1.00 0.00 C ATOM 464 O VAL A 653 2.041 1.108 4.379 1.00 0.00 O ATOM 465 CB VAL A 653 4.115 -0.925 6.265 1.00 0.00 C ATOM 466 CG1 VAL A 653 5.155 -1.985 5.980 1.00 0.00 C ATOM 467 CG2 VAL A 653 4.354 -0.368 7.677 1.00 0.00 C ATOM 0 H VAL A 653 6.086 0.569 5.735 1.00 0.00 H new ATOM 0 HA VAL A 653 4.074 -0.242 4.144 1.00 0.00 H new ATOM 0 HB VAL A 653 3.118 -1.365 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 653 5.137 -2.734 6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 653 4.937 -2.461 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 653 6.142 -1.525 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 653 4.354 -1.187 8.396 1.00 0.00 H new ATOM 0 HG22 VAL A 653 5.316 0.143 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 653 3.561 0.336 7.929 1.00 0.00 H new ATOM 477 N ASP A 654 2.571 1.578 6.494 1.00 0.00 N ATOM 478 CA ASP A 654 1.444 2.483 6.764 1.00 0.00 C ATOM 479 C ASP A 654 1.752 3.891 6.232 1.00 0.00 C ATOM 480 O ASP A 654 0.875 4.710 5.956 1.00 0.00 O ATOM 481 CB ASP A 654 0.925 2.446 8.198 1.00 0.00 C ATOM 482 CG ASP A 654 2.006 2.597 9.257 1.00 0.00 C ATOM 483 OD1 ASP A 654 2.297 3.747 9.648 1.00 0.00 O ATOM 484 OD2 ASP A 654 2.558 1.565 9.693 1.00 0.00 O ATOM 0 H ASP A 654 3.162 1.417 7.310 1.00 0.00 H new ATOM 0 HA ASP A 654 0.588 2.105 6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 654 0.192 3.242 8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 654 0.403 1.503 8.359 1.00 0.00 H new ATOM 489 N PHE A 655 3.055 4.143 6.193 1.00 0.00 N ATOM 490 CA PHE A 655 3.670 5.421 5.843 1.00 0.00 C ATOM 491 C PHE A 655 3.259 5.879 4.466 1.00 0.00 C ATOM 492 O PHE A 655 3.144 7.084 4.225 1.00 0.00 O ATOM 493 CB PHE A 655 5.191 5.342 5.935 1.00 0.00 C ATOM 494 CG PHE A 655 5.778 6.231 6.997 1.00 0.00 C ATOM 495 CD1 PHE A 655 5.955 5.765 8.290 1.00 0.00 C ATOM 496 CD2 PHE A 655 6.154 7.532 6.700 1.00 0.00 C ATOM 497 CE1 PHE A 655 6.496 6.580 9.267 1.00 0.00 C ATOM 498 CE2 PHE A 655 6.694 8.351 7.673 1.00 0.00 C ATOM 499 CZ PHE A 655 6.866 7.874 8.958 1.00 0.00 C ATOM 0 H PHE A 655 3.747 3.427 6.415 1.00 0.00 H new ATOM 0 HA PHE A 655 3.313 6.155 6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 655 5.481 4.311 6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 655 5.619 5.612 4.970 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.667 4.754 8.537 1.00 0.00 H new ATOM 0 HD2 PHE A 655 6.023 7.910 5.697 1.00 0.00 H new ATOM 0 HE1 PHE A 655 6.629 6.205 10.271 1.00 0.00 H new ATOM 0 HE2 PHE A 655 6.981 9.363 7.429 1.00 0.00 H new ATOM 0 HZ PHE A 655 7.289 8.512 9.720 1.00 0.00 H new ATOM 509 N ILE A 656 3.057 4.903 3.556 1.00 0.00 N ATOM 510 CA ILE A 656 2.730 5.212 2.158 1.00 0.00 C ATOM 511 C ILE A 656 1.685 6.314 2.006 1.00 0.00 C ATOM 512 O ILE A 656 2.081 7.398 1.610 1.00 0.00 O ATOM 513 CB ILE A 656 2.191 3.985 1.317 1.00 0.00 C ATOM 514 CG1 ILE A 656 1.380 2.903 2.078 1.00 0.00 C ATOM 515 CG2 ILE A 656 3.341 3.279 0.617 1.00 0.00 C ATOM 516 CD1 ILE A 656 1.092 3.166 3.504 1.00 0.00 C ATOM 0 H ILE A 656 3.115 3.907 3.766 1.00 0.00 H new ATOM 0 HA ILE A 656 3.698 5.530 1.771 1.00 0.00 H new ATOM 0 HB ILE A 656 1.488 4.457 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 656 0.431 2.763 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 656 1.923 1.960 2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 656 2.955 2.437 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 656 3.842 3.977 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 656 4.051 2.916 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 656 0.521 2.336 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 656 2.029 3.271 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 656 0.514 4.086 3.595 1.00 0.00 H new ATOM 528 N LEU A 657 0.428 6.152 2.428 1.00 0.00 N ATOM 529 CA LEU A 657 -0.546 7.236 2.172 1.00 0.00 C ATOM 530 C LEU A 657 -0.177 8.541 2.907 1.00 0.00 C ATOM 531 O LEU A 657 -0.336 9.629 2.349 1.00 0.00 O ATOM 532 CB LEU A 657 -2.042 6.803 2.342 1.00 0.00 C ATOM 533 CG LEU A 657 -2.786 7.205 3.660 1.00 0.00 C ATOM 534 CD1 LEU A 657 -3.072 8.706 3.714 1.00 0.00 C ATOM 535 CD2 LEU A 657 -4.110 6.473 3.804 1.00 0.00 C ATOM 0 H LEU A 657 0.067 5.335 2.921 1.00 0.00 H new ATOM 0 HA LEU A 657 -0.466 7.465 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -2.605 7.215 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -2.086 5.718 2.253 1.00 0.00 H new ATOM 0 HG LEU A 657 -2.118 6.926 4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -3.589 8.945 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -2.133 9.257 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -3.699 8.988 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -4.596 6.779 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -4.754 6.716 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 657 -3.931 5.398 3.826 1.00 0.00 H new ATOM 547 N GLN A 658 0.306 8.423 4.150 1.00 0.00 N ATOM 548 CA GLN A 658 0.703 9.591 4.951 1.00 0.00 C ATOM 549 C GLN A 658 2.087 10.150 4.516 1.00 0.00 C ATOM 550 O GLN A 658 2.966 10.397 5.352 1.00 0.00 O ATOM 551 CB GLN A 658 0.704 9.209 6.442 1.00 0.00 C ATOM 552 CG GLN A 658 0.404 10.371 7.380 1.00 0.00 C ATOM 553 CD GLN A 658 0.413 9.960 8.839 1.00 0.00 C ATOM 554 OE1 GLN A 658 -0.614 9.566 9.391 1.00 0.00 O ATOM 555 NE2 GLN A 658 1.576 10.051 9.473 1.00 0.00 N ATOM 0 H GLN A 658 0.432 7.529 4.625 1.00 0.00 H new ATOM 0 HA GLN A 658 -0.022 10.388 4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 658 -0.034 8.424 6.606 1.00 0.00 H new ATOM 0 HB3 GLN A 658 1.677 8.790 6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 658 1.141 11.159 7.224 1.00 0.00 H new ATOM 0 HG3 GLN A 658 -0.570 10.792 7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 658 2.403 10.383 8.977 1.00 0.00 H new ATOM 0 HE22 GLN A 658 1.643 9.789 10.457 1.00 0.00 H new ATOM 564 N ARG A 659 2.258 10.355 3.197 1.00 0.00 N ATOM 565 CA ARG A 659 3.507 10.897 2.638 1.00 0.00 C ATOM 566 C ARG A 659 3.213 12.079 1.686 1.00 0.00 C ATOM 567 O ARG A 659 2.861 13.162 2.164 1.00 0.00 O ATOM 568 CB ARG A 659 4.322 9.786 1.953 1.00 0.00 C ATOM 569 CG ARG A 659 5.220 9.012 2.908 1.00 0.00 C ATOM 570 CD ARG A 659 6.028 7.943 2.184 1.00 0.00 C ATOM 571 NE ARG A 659 7.111 8.515 1.372 1.00 0.00 N ATOM 572 CZ ARG A 659 7.872 7.819 0.515 1.00 0.00 C ATOM 573 NH1 ARG A 659 7.689 6.512 0.335 1.00 0.00 N ATOM 574 NH2 ARG A 659 8.824 8.440 -0.168 1.00 0.00 N ATOM 0 H ARG A 659 1.544 10.152 2.498 1.00 0.00 H new ATOM 0 HA ARG A 659 4.116 11.287 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 659 3.637 9.091 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 659 4.936 10.228 1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 659 5.898 9.703 3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 659 4.611 8.545 3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 659 6.451 7.253 2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 659 5.365 7.362 1.543 1.00 0.00 H new ATOM 0 HE ARG A 659 7.297 9.513 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 659 6.959 6.023 0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 659 8.278 6.000 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 659 8.974 9.441 -0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 659 9.407 7.917 -0.822 1.00 0.00 H new ATOM 588 N GLU A 660 3.352 11.888 0.348 1.00 0.00 N ATOM 589 CA GLU A 660 3.072 12.967 -0.624 1.00 0.00 C ATOM 590 C GLU A 660 2.560 12.436 -1.994 1.00 0.00 C ATOM 591 O GLU A 660 1.456 12.817 -2.392 1.00 0.00 O ATOM 592 CB GLU A 660 4.298 13.880 -0.815 1.00 0.00 C ATOM 593 CG GLU A 660 4.226 15.168 -0.010 1.00 0.00 C ATOM 594 CD GLU A 660 5.442 16.051 -0.212 1.00 0.00 C ATOM 595 OE1 GLU A 660 6.427 15.886 0.538 1.00 0.00 O ATOM 596 OE2 GLU A 660 5.409 16.908 -1.120 1.00 0.00 O ATOM 0 H GLU A 660 3.652 11.009 -0.073 1.00 0.00 H new ATOM 0 HA GLU A 660 2.262 13.557 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 660 5.197 13.333 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 660 4.396 14.127 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.330 15.720 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 660 4.129 14.926 1.048 1.00 0.00 H new ATOM 603 N PRO A 661 3.326 11.563 -2.754 1.00 0.00 N ATOM 604 CA PRO A 661 2.879 11.032 -4.082 1.00 0.00 C ATOM 605 C PRO A 661 1.481 10.385 -4.071 1.00 0.00 C ATOM 606 O PRO A 661 0.914 10.154 -3.015 1.00 0.00 O ATOM 607 CB PRO A 661 3.936 9.973 -4.412 1.00 0.00 C ATOM 608 CG PRO A 661 5.158 10.414 -3.693 1.00 0.00 C ATOM 609 CD PRO A 661 4.683 11.049 -2.416 1.00 0.00 C ATOM 0 HA PRO A 661 2.793 11.841 -4.807 1.00 0.00 H new ATOM 0 HB2 PRO A 661 3.620 8.983 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 661 4.111 9.911 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 661 5.816 9.569 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 661 5.728 11.123 -4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 661 4.645 10.326 -1.601 1.00 0.00 H new ATOM 0 HD3 PRO A 661 5.347 11.853 -2.099 1.00 0.00 H new ATOM 617 N TYR A 662 0.922 10.129 -5.266 1.00 0.00 N ATOM 618 CA TYR A 662 -0.409 9.499 -5.404 1.00 0.00 C ATOM 619 C TYR A 662 -0.384 7.997 -5.064 1.00 0.00 C ATOM 620 O TYR A 662 -1.265 7.491 -4.351 1.00 0.00 O ATOM 621 CB TYR A 662 -0.949 9.703 -6.824 1.00 0.00 C ATOM 622 CG TYR A 662 -1.309 11.138 -7.142 1.00 0.00 C ATOM 623 CD1 TYR A 662 -0.370 12.006 -7.683 1.00 0.00 C ATOM 624 CD2 TYR A 662 -2.589 11.622 -6.901 1.00 0.00 C ATOM 625 CE1 TYR A 662 -0.696 13.317 -7.975 1.00 0.00 C ATOM 626 CE2 TYR A 662 -2.922 12.931 -7.190 1.00 0.00 C ATOM 627 CZ TYR A 662 -1.972 13.775 -7.727 1.00 0.00 C ATOM 628 OH TYR A 662 -2.301 15.079 -8.016 1.00 0.00 O ATOM 0 H TYR A 662 1.371 10.348 -6.155 1.00 0.00 H new ATOM 0 HA TYR A 662 -1.069 9.986 -4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -0.202 9.359 -7.539 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -1.832 9.078 -6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 662 0.631 11.651 -7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -3.335 10.964 -6.481 1.00 0.00 H new ATOM 0 HE1 TYR A 662 0.046 13.980 -8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -3.921 13.292 -6.996 1.00 0.00 H new ATOM 0 HH TYR A 662 -3.239 15.239 -7.782 1.00 0.00 H new ATOM 638 N CYS A 663 0.658 7.305 -5.559 1.00 0.00 N ATOM 639 CA CYS A 663 0.848 5.853 -5.367 1.00 0.00 C ATOM 640 C CYS A 663 0.745 5.421 -3.900 1.00 0.00 C ATOM 641 O CYS A 663 0.143 4.390 -3.595 1.00 0.00 O ATOM 642 CB CYS A 663 2.203 5.426 -5.937 1.00 0.00 C ATOM 643 SG CYS A 663 3.617 6.280 -5.202 1.00 0.00 S ATOM 0 H CYS A 663 1.399 7.740 -6.108 1.00 0.00 H new ATOM 0 HA CYS A 663 0.038 5.357 -5.901 1.00 0.00 H new ATOM 0 HB2 CYS A 663 2.324 4.353 -5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 663 2.204 5.603 -7.013 1.00 0.00 H new ATOM 0 HG CYS A 663 4.716 5.849 -5.747 1.00 0.00 H new ATOM 649 N ARG A 664 1.312 6.235 -3.003 1.00 0.00 N ATOM 650 CA ARG A 664 1.329 5.957 -1.576 1.00 0.00 C ATOM 651 C ARG A 664 -0.059 6.152 -0.972 1.00 0.00 C ATOM 652 O ARG A 664 -0.487 5.374 -0.114 1.00 0.00 O ATOM 653 CB ARG A 664 2.396 6.806 -0.855 1.00 0.00 C ATOM 654 CG ARG A 664 2.411 8.304 -1.237 1.00 0.00 C ATOM 655 CD ARG A 664 1.681 9.205 -0.227 1.00 0.00 C ATOM 656 NE ARG A 664 0.413 9.742 -0.739 1.00 0.00 N ATOM 657 CZ ARG A 664 -0.145 10.899 -0.332 1.00 0.00 C ATOM 658 NH1 ARG A 664 0.431 11.649 0.602 1.00 0.00 N ATOM 659 NH2 ARG A 664 -1.271 11.323 -0.885 1.00 0.00 N ATOM 0 H ARG A 664 1.773 7.109 -3.256 1.00 0.00 H new ATOM 0 HA ARG A 664 1.605 4.912 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 664 2.238 6.723 0.220 1.00 0.00 H new ATOM 0 HB3 ARG A 664 3.378 6.383 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 664 3.445 8.637 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 664 1.951 8.425 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 664 1.486 8.636 0.682 1.00 0.00 H new ATOM 0 HD3 ARG A 664 2.334 10.033 0.049 1.00 0.00 H new ATOM 0 HE ARG A 664 -0.079 9.202 -1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 664 1.311 11.352 1.024 1.00 0.00 H new ATOM 0 HH12 ARG A 664 -0.007 12.522 0.897 1.00 0.00 H new ATOM 0 HH21 ARG A 664 -1.717 10.774 -1.620 1.00 0.00 H new ATOM 0 HH22 ARG A 664 -1.693 12.199 -0.576 1.00 0.00 H new ATOM 673 N ASP A 665 -0.749 7.201 -1.454 1.00 0.00 N ATOM 674 CA ASP A 665 -2.100 7.563 -1.006 1.00 0.00 C ATOM 675 C ASP A 665 -3.055 6.362 -1.037 1.00 0.00 C ATOM 676 O ASP A 665 -3.801 6.153 -0.092 1.00 0.00 O ATOM 677 CB ASP A 665 -2.656 8.679 -1.902 1.00 0.00 C ATOM 678 CG ASP A 665 -3.785 9.466 -1.247 1.00 0.00 C ATOM 679 OD1 ASP A 665 -3.562 10.037 -0.159 1.00 0.00 O ATOM 680 OD2 ASP A 665 -4.890 9.509 -1.827 1.00 0.00 O ATOM 0 H ASP A 665 -0.379 7.825 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 665 -2.027 7.906 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 665 -1.849 9.363 -2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -3.018 8.243 -2.833 1.00 0.00 H new ATOM 685 N ILE A 666 -2.962 5.557 -2.108 1.00 0.00 N ATOM 686 CA ILE A 666 -3.823 4.394 -2.321 1.00 0.00 C ATOM 687 C ILE A 666 -3.369 3.258 -1.417 1.00 0.00 C ATOM 688 O ILE A 666 -4.166 2.507 -0.879 1.00 0.00 O ATOM 689 CB ILE A 666 -3.845 3.959 -3.827 1.00 0.00 C ATOM 690 CG1 ILE A 666 -4.599 4.990 -4.683 1.00 0.00 C ATOM 691 CG2 ILE A 666 -4.490 2.587 -4.022 1.00 0.00 C ATOM 692 CD1 ILE A 666 -3.731 6.102 -5.228 1.00 0.00 C ATOM 0 H ILE A 666 -2.280 5.701 -2.853 1.00 0.00 H new ATOM 0 HA ILE A 666 -4.847 4.663 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 666 -2.805 3.901 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -5.074 4.474 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -5.397 5.429 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -4.482 2.329 -5.081 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -3.930 1.839 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -5.519 2.614 -3.663 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -4.342 6.784 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -3.276 6.647 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -2.948 5.678 -5.857 1.00 0.00 H new ATOM 704 N ASN A 667 -2.053 3.150 -1.305 1.00 0.00 N ATOM 705 CA ASN A 667 -1.386 2.115 -0.537 1.00 0.00 C ATOM 706 C ASN A 667 -1.890 1.962 0.934 1.00 0.00 C ATOM 707 O ASN A 667 -2.428 0.901 1.259 1.00 0.00 O ATOM 708 CB ASN A 667 0.108 2.352 -0.687 1.00 0.00 C ATOM 709 CG ASN A 667 0.703 1.567 -1.837 1.00 0.00 C ATOM 710 OD1 ASN A 667 1.185 0.372 -1.541 1.00 0.00 O flip ATOM 711 ND2 ASN A 667 0.730 2.027 -2.976 1.00 0.00 N flip ATOM 0 H ASN A 667 -1.406 3.796 -1.757 1.00 0.00 H new ATOM 0 HA ASN A 667 -1.641 1.133 -0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 667 0.291 3.415 -0.843 1.00 0.00 H new ATOM 0 HB3 ASN A 667 0.612 2.074 0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 667 0.347 2.954 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 667 1.136 1.482 -3.737 1.00 0.00 H new ATOM 718 N GLN A 668 -1.762 2.976 1.827 1.00 0.00 N ATOM 719 CA GLN A 668 -2.322 2.834 3.210 1.00 0.00 C ATOM 720 C GLN A 668 -3.843 2.898 3.105 1.00 0.00 C ATOM 721 O GLN A 668 -4.568 2.133 3.735 1.00 0.00 O ATOM 722 CB GLN A 668 -1.868 3.946 4.191 1.00 0.00 C ATOM 723 CG GLN A 668 -1.619 3.514 5.630 1.00 0.00 C ATOM 724 CD GLN A 668 -2.542 4.216 6.612 1.00 0.00 C ATOM 725 OE1 GLN A 668 -3.707 3.634 6.864 1.00 0.00 O flip ATOM 726 NE2 GLN A 668 -2.207 5.278 7.139 1.00 0.00 N flip ATOM 0 H GLN A 668 -1.300 3.865 1.635 1.00 0.00 H new ATOM 0 HA GLN A 668 -1.956 1.888 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -0.951 4.391 3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -2.626 4.729 4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -1.757 2.436 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -0.583 3.724 5.896 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -1.302 5.693 6.919 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -2.835 5.742 7.796 1.00 0.00 H new ATOM 735 N LEU A 669 -4.290 3.820 2.248 1.00 0.00 N ATOM 736 CA LEU A 669 -5.697 4.089 1.989 1.00 0.00 C ATOM 737 C LEU A 669 -6.488 2.829 1.608 1.00 0.00 C ATOM 738 O LEU A 669 -7.366 2.400 2.357 1.00 0.00 O ATOM 739 CB LEU A 669 -5.743 5.114 0.859 1.00 0.00 C ATOM 740 CG LEU A 669 -7.005 5.990 0.772 1.00 0.00 C ATOM 741 CD1 LEU A 669 -6.936 7.164 1.742 1.00 0.00 C ATOM 742 CD2 LEU A 669 -7.204 6.490 -0.651 1.00 0.00 C ATOM 0 H LEU A 669 -3.663 4.412 1.704 1.00 0.00 H new ATOM 0 HA LEU A 669 -6.169 4.463 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -4.879 5.771 0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -5.631 4.583 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 669 -7.859 5.374 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -7.843 7.762 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -6.846 6.789 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -6.070 7.782 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -8.100 7.108 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -6.339 7.081 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -7.315 5.639 -1.323 1.00 0.00 H new ATOM 754 N SER A 670 -6.129 2.207 0.477 1.00 0.00 N ATOM 755 CA SER A 670 -6.829 1.010 0.003 1.00 0.00 C ATOM 756 C SER A 670 -6.632 -0.190 0.939 1.00 0.00 C ATOM 757 O SER A 670 -7.609 -0.671 1.518 1.00 0.00 O ATOM 758 CB SER A 670 -6.397 0.656 -1.427 1.00 0.00 C ATOM 759 OG SER A 670 -7.233 -0.344 -1.986 1.00 0.00 O ATOM 0 H SER A 670 -5.362 2.512 -0.122 1.00 0.00 H new ATOM 0 HA SER A 670 -7.893 1.245 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 670 -6.429 1.550 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 670 -5.364 0.308 -1.421 1.00 0.00 H new ATOM 0 HG SER A 670 -6.688 -0.979 -2.496 1.00 0.00 H new ATOM 765 N GLU A 671 -5.382 -0.669 1.109 1.00 0.00 N ATOM 766 CA GLU A 671 -5.147 -1.830 1.972 1.00 0.00 C ATOM 767 C GLU A 671 -5.226 -1.511 3.464 1.00 0.00 C ATOM 768 O GLU A 671 -6.092 -2.067 4.149 1.00 0.00 O ATOM 769 CB GLU A 671 -3.835 -2.543 1.655 1.00 0.00 C ATOM 770 CG GLU A 671 -3.934 -4.073 1.704 1.00 0.00 C ATOM 771 CD GLU A 671 -4.320 -4.631 3.070 1.00 0.00 C ATOM 772 OE1 GLU A 671 -3.450 -4.684 3.962 1.00 0.00 O ATOM 773 OE2 GLU A 671 -5.497 -5.014 3.240 1.00 0.00 O ATOM 0 H GLU A 671 -4.547 -0.279 0.672 1.00 0.00 H new ATOM 0 HA GLU A 671 -5.969 -2.508 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -3.499 -2.242 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -3.074 -2.215 2.363 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -4.668 -4.402 0.969 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -2.975 -4.498 1.408 1.00 0.00 H new ATOM 780 N ALA A 672 -4.331 -0.632 3.987 1.00 0.00 N ATOM 781 CA ALA A 672 -4.344 -0.328 5.434 1.00 0.00 C ATOM 782 C ALA A 672 -5.707 0.124 6.006 1.00 0.00 C ATOM 783 O ALA A 672 -6.081 -0.327 7.092 1.00 0.00 O ATOM 784 CB ALA A 672 -3.297 0.697 5.758 1.00 0.00 C ATOM 0 H ALA A 672 -3.618 -0.140 3.448 1.00 0.00 H new ATOM 0 HA ALA A 672 -4.127 -1.280 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -3.317 0.912 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -2.315 0.313 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -3.498 1.611 5.200 1.00 0.00 H new ATOM 790 N LEU A 673 -6.453 0.994 5.292 1.00 0.00 N ATOM 791 CA LEU A 673 -7.750 1.489 5.798 1.00 0.00 C ATOM 792 C LEU A 673 -8.854 0.420 5.742 1.00 0.00 C ATOM 793 O LEU A 673 -9.638 0.291 6.686 1.00 0.00 O ATOM 794 CB LEU A 673 -8.189 2.748 5.035 1.00 0.00 C ATOM 795 CG LEU A 673 -9.147 3.686 5.786 1.00 0.00 C ATOM 796 CD1 LEU A 673 -8.377 4.664 6.666 1.00 0.00 C ATOM 797 CD2 LEU A 673 -10.031 4.438 4.801 1.00 0.00 C ATOM 0 H LEU A 673 -6.185 1.362 4.379 1.00 0.00 H new ATOM 0 HA LEU A 673 -7.599 1.741 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -7.298 3.313 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -8.668 2.438 4.106 1.00 0.00 H new ATOM 0 HG LEU A 673 -9.781 3.078 6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -9.079 5.316 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -7.787 4.110 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -7.713 5.267 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -10.704 5.099 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -9.407 5.029 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -10.615 3.725 4.219 1.00 0.00 H new ATOM 809 N LEU A 674 -8.905 -0.343 4.638 1.00 0.00 N ATOM 810 CA LEU A 674 -9.917 -1.399 4.457 1.00 0.00 C ATOM 811 C LEU A 674 -9.655 -2.615 5.354 1.00 0.00 C ATOM 812 O LEU A 674 -10.591 -3.177 5.928 1.00 0.00 O ATOM 813 CB LEU A 674 -9.985 -1.835 2.986 1.00 0.00 C ATOM 814 CG LEU A 674 -11.027 -1.107 2.120 1.00 0.00 C ATOM 815 CD1 LEU A 674 -10.514 0.254 1.660 1.00 0.00 C ATOM 816 CD2 LEU A 674 -11.407 -1.963 0.921 1.00 0.00 C ATOM 0 H LEU A 674 -8.257 -0.249 3.856 1.00 0.00 H new ATOM 0 HA LEU A 674 -10.876 -0.974 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -9.002 -1.690 2.538 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -10.196 -2.904 2.953 1.00 0.00 H new ATOM 0 HG LEU A 674 -11.914 -0.940 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -11.274 0.742 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -10.294 0.873 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -9.607 0.121 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -12.145 -1.436 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -10.520 -2.161 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -11.829 -2.907 1.267 1.00 0.00 H new ATOM 828 N SER A 675 -8.377 -3.010 5.470 1.00 0.00 N ATOM 829 CA SER A 675 -7.970 -4.168 6.287 1.00 0.00 C ATOM 830 C SER A 675 -8.284 -3.974 7.781 1.00 0.00 C ATOM 831 O SER A 675 -8.747 -4.906 8.443 1.00 0.00 O ATOM 832 CB SER A 675 -6.473 -4.440 6.098 1.00 0.00 C ATOM 833 OG SER A 675 -6.096 -5.679 6.676 1.00 0.00 O ATOM 0 H SER A 675 -7.600 -2.540 5.004 1.00 0.00 H new ATOM 0 HA SER A 675 -8.550 -5.025 5.944 1.00 0.00 H new ATOM 0 HB2 SER A 675 -6.234 -4.445 5.035 1.00 0.00 H new ATOM 0 HB3 SER A 675 -5.895 -3.634 6.551 1.00 0.00 H new ATOM 0 HG SER A 675 -5.137 -5.826 6.538 1.00 0.00 H new ATOM 839 N LEU A 676 -8.027 -2.760 8.297 1.00 0.00 N ATOM 840 CA LEU A 676 -8.273 -2.433 9.712 1.00 0.00 C ATOM 841 C LEU A 676 -9.769 -2.299 10.032 1.00 0.00 C ATOM 842 O LEU A 676 -10.226 -2.779 11.073 1.00 0.00 O ATOM 843 CB LEU A 676 -7.541 -1.139 10.100 1.00 0.00 C ATOM 844 CG LEU A 676 -6.012 -1.244 10.208 1.00 0.00 C ATOM 845 CD1 LEU A 676 -5.374 0.125 10.024 1.00 0.00 C ATOM 846 CD2 LEU A 676 -5.597 -1.837 11.551 1.00 0.00 C ATOM 0 H LEU A 676 -7.647 -1.986 7.752 1.00 0.00 H new ATOM 0 HA LEU A 676 -7.884 -3.265 10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -7.783 -0.372 9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -7.932 -0.796 11.058 1.00 0.00 H new ATOM 0 HG LEU A 676 -5.663 -1.909 9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -4.291 0.035 10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -5.635 0.519 9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -5.739 0.803 10.795 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -4.510 -1.900 11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -5.961 -1.201 12.358 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -6.023 -2.835 11.656 1.00 0.00 H new ATOM 858 N ASN A 677 -10.521 -1.644 9.131 1.00 0.00 N ATOM 859 CA ASN A 677 -11.966 -1.432 9.309 1.00 0.00 C ATOM 860 C ASN A 677 -12.775 -2.722 9.114 1.00 0.00 C ATOM 861 O ASN A 677 -13.640 -3.043 9.934 1.00 0.00 O ATOM 862 CB ASN A 677 -12.467 -0.345 8.352 1.00 0.00 C ATOM 863 CG ASN A 677 -12.104 1.051 8.821 1.00 0.00 C ATOM 864 OD1 ASN A 677 -12.993 1.664 9.594 1.00 0.00 O flip ATOM 865 ND2 ASN A 677 -11.039 1.573 8.494 1.00 0.00 N flip ATOM 0 H ASN A 677 -10.148 -1.250 8.267 1.00 0.00 H new ATOM 0 HA ASN A 677 -12.117 -1.107 10.338 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -12.044 -0.514 7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -13.550 -0.422 8.254 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -10.384 1.066 7.898 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -10.811 2.513 8.819 1.00 0.00 H new ATOM 872 N PHE A 678 -12.485 -3.454 8.024 1.00 0.00 N ATOM 873 CA PHE A 678 -13.179 -4.712 7.708 1.00 0.00 C ATOM 874 C PHE A 678 -12.747 -5.844 8.653 1.00 0.00 C ATOM 875 O PHE A 678 -11.546 -6.193 8.655 1.00 0.00 O ATOM 876 CB PHE A 678 -12.926 -5.106 6.245 1.00 0.00 C ATOM 877 CG PHE A 678 -14.020 -5.946 5.641 1.00 0.00 C ATOM 878 CD1 PHE A 678 -13.977 -7.329 5.724 1.00 0.00 C ATOM 879 CD2 PHE A 678 -15.089 -5.350 4.990 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.980 -8.101 5.169 1.00 0.00 C ATOM 881 CE2 PHE A 678 -16.095 -6.118 4.433 1.00 0.00 C ATOM 882 CZ PHE A 678 -16.040 -7.495 4.523 1.00 0.00 C ATOM 883 OXT PHE A 678 -13.617 -6.369 9.380 1.00 0.00 O ATOM 0 H PHE A 678 -11.770 -3.193 7.345 1.00 0.00 H new ATOM 0 HA PHE A 678 -14.248 -4.551 7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -12.807 -4.200 5.651 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -11.985 -5.653 6.184 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -13.151 -7.808 6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -15.137 -4.274 4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -14.935 -9.178 5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -16.923 -5.642 3.928 1.00 0.00 H new ATOM 0 HZ PHE A 678 -16.825 -8.097 4.089 1.00 0.00 H new TER 893 PHE A 678