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 631 LYS NZ :NH3+ -154:sc= 0.00233 (180deg=0) USER MOD Set 1.2: A 663 CYS SG : rot 180:sc= 0.00301 USER MOD Single : A 632 THR OG1 : rot 67:sc= 0.681 USER MOD Single : A 635 THR OG1 : rot 171:sc= -1.61 USER MOD Single : A 641 GLN : amide:sc= -1.69! C(o=-1.7!,f=-6.2!) USER MOD Single : A 649 GLN : amide:sc= 0.148 X(o=0.15,f=0) USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 652 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0187) USER MOD Single : A 658 GLN : amide:sc= -0.256 K(o=-0.26,f=-0.84) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 667 ASN :FLIP amide:sc= -9.31! C(o=-10!,f=-9.3!) USER MOD Single : A 668 GLN : amide:sc= -5! C(o=-5!,f=-5.2!) USER MOD Single : A 670 SER OG : rot 180:sc= 0 USER MOD Single : A 675 SER OG : rot 180:sc= 0 USER MOD Single : A 677 ASN : amide:sc= 1.15 K(o=1.2,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 627 -2.300 6.474 -19.208 1.00 0.00 N ATOM 2 CA GLY A 627 -2.332 5.124 -18.581 1.00 0.00 C ATOM 3 C GLY A 627 -0.955 4.497 -18.485 1.00 0.00 C ATOM 4 O GLY A 627 -0.321 4.226 -19.510 1.00 0.00 O ATOM 0 HA2 GLY A 627 -2.764 5.200 -17.583 1.00 0.00 H new ATOM 0 HA3 GLY A 627 -2.985 4.472 -19.162 1.00 0.00 H new ATOM 10 N GLY A 628 -0.500 4.268 -17.249 1.00 0.00 N ATOM 11 CA GLY A 628 0.807 3.669 -17.019 1.00 0.00 C ATOM 12 C GLY A 628 0.762 2.559 -15.988 1.00 0.00 C ATOM 13 O GLY A 628 0.173 1.503 -16.233 1.00 0.00 O ATOM 0 H GLY A 628 -1.019 4.489 -16.399 1.00 0.00 H new ATOM 0 HA2 GLY A 628 1.192 3.273 -17.959 1.00 0.00 H new ATOM 0 HA3 GLY A 628 1.504 4.440 -16.689 1.00 0.00 H new ATOM 17 N ILE A 629 1.389 2.805 -14.833 1.00 0.00 N ATOM 18 CA ILE A 629 1.431 1.827 -13.741 1.00 0.00 C ATOM 19 C ILE A 629 0.585 2.284 -12.552 1.00 0.00 C ATOM 20 O ILE A 629 0.495 3.483 -12.270 1.00 0.00 O ATOM 21 CB ILE A 629 2.887 1.518 -13.268 1.00 0.00 C ATOM 22 CG1 ILE A 629 3.747 2.792 -13.121 1.00 0.00 C ATOM 23 CG2 ILE A 629 3.554 0.547 -14.230 1.00 0.00 C ATOM 24 CD1 ILE A 629 3.685 3.421 -11.743 1.00 0.00 C ATOM 0 H ILE A 629 1.877 3.678 -14.630 1.00 0.00 H new ATOM 0 HA ILE A 629 1.011 0.906 -14.144 1.00 0.00 H new ATOM 0 HB ILE A 629 2.813 1.065 -12.279 1.00 0.00 H new ATOM 0 HG12 ILE A 629 4.784 2.547 -13.351 1.00 0.00 H new ATOM 0 HG13 ILE A 629 3.421 3.525 -13.859 1.00 0.00 H new ATOM 0 HG21 ILE A 629 4.569 0.338 -13.891 1.00 0.00 H new ATOM 0 HG22 ILE A 629 2.984 -0.382 -14.263 1.00 0.00 H new ATOM 0 HG23 ILE A 629 3.588 0.988 -15.226 1.00 0.00 H new ATOM 0 HD11 ILE A 629 4.315 4.310 -11.720 1.00 0.00 H new ATOM 0 HD12 ILE A 629 2.656 3.700 -11.516 1.00 0.00 H new ATOM 0 HD13 ILE A 629 4.039 2.706 -11.000 1.00 0.00 H new ATOM 36 N ARG A 630 -0.028 1.315 -11.866 1.00 0.00 N ATOM 37 CA ARG A 630 -0.874 1.594 -10.703 1.00 0.00 C ATOM 38 C ARG A 630 -0.184 1.163 -9.413 1.00 0.00 C ATOM 39 O ARG A 630 0.551 0.171 -9.396 1.00 0.00 O ATOM 40 CB ARG A 630 -2.226 0.876 -10.834 1.00 0.00 C ATOM 41 CG ARG A 630 -3.156 1.474 -11.893 1.00 0.00 C ATOM 42 CD ARG A 630 -3.994 2.630 -11.347 1.00 0.00 C ATOM 43 NE ARG A 630 -3.188 3.829 -11.080 1.00 0.00 N ATOM 44 CZ ARG A 630 -3.648 4.941 -10.487 1.00 0.00 C ATOM 45 NH1 ARG A 630 -4.914 5.035 -10.086 1.00 0.00 N ATOM 46 NH2 ARG A 630 -2.829 5.966 -10.295 1.00 0.00 N ATOM 0 H ARG A 630 0.047 0.325 -12.098 1.00 0.00 H new ATOM 0 HA ARG A 630 -1.046 2.670 -10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 630 -2.046 -0.172 -11.075 1.00 0.00 H new ATOM 0 HB3 ARG A 630 -2.731 0.899 -9.869 1.00 0.00 H new ATOM 0 HG2 ARG A 630 -2.562 1.826 -12.737 1.00 0.00 H new ATOM 0 HG3 ARG A 630 -3.819 0.696 -12.272 1.00 0.00 H new ATOM 0 HD2 ARG A 630 -4.779 2.875 -12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 630 -4.487 2.315 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 630 -2.209 3.815 -11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 630 -5.553 4.253 -10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 630 -5.245 5.889 -9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 630 -1.857 5.906 -10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 630 -3.171 6.815 -9.845 1.00 0.00 H new ATOM 60 N LYS A 631 -0.430 1.919 -8.338 1.00 0.00 N ATOM 61 CA LYS A 631 0.159 1.631 -7.025 1.00 0.00 C ATOM 62 C LYS A 631 -0.823 0.854 -6.143 1.00 0.00 C ATOM 63 O LYS A 631 -0.427 -0.085 -5.451 1.00 0.00 O ATOM 64 CB LYS A 631 0.588 2.930 -6.324 1.00 0.00 C ATOM 65 CG LYS A 631 1.753 3.656 -6.996 1.00 0.00 C ATOM 66 CD LYS A 631 1.276 4.608 -8.086 1.00 0.00 C ATOM 67 CE LYS A 631 2.441 5.325 -8.749 1.00 0.00 C ATOM 68 NZ LYS A 631 1.986 6.247 -9.826 1.00 0.00 N ATOM 0 H LYS A 631 -1.036 2.739 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 631 1.043 1.013 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS A 631 -0.267 3.604 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 631 0.865 2.699 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 631 2.314 4.214 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 631 2.437 2.925 -7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 631 0.715 4.051 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 631 0.593 5.341 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 631 2.995 5.889 -7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 631 3.129 4.590 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 631 2.749 6.372 -10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 631 1.150 5.845 -10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 631 1.740 7.169 -9.413 1.00 0.00 H new ATOM 82 N THR A 632 -2.110 1.250 -6.196 1.00 0.00 N ATOM 83 CA THR A 632 -3.202 0.613 -5.423 1.00 0.00 C ATOM 84 C THR A 632 -3.238 -0.919 -5.615 1.00 0.00 C ATOM 85 O THR A 632 -3.508 -1.673 -4.677 1.00 0.00 O ATOM 86 CB THR A 632 -4.592 1.241 -5.766 1.00 0.00 C ATOM 87 OG1 THR A 632 -5.633 0.587 -5.027 1.00 0.00 O ATOM 88 CG2 THR A 632 -4.917 1.179 -7.263 1.00 0.00 C ATOM 0 H THR A 632 -2.426 2.025 -6.779 1.00 0.00 H new ATOM 0 HA THR A 632 -2.989 0.808 -4.372 1.00 0.00 H new ATOM 0 HB THR A 632 -4.535 2.292 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 632 -5.524 0.776 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 632 -5.893 1.629 -7.442 1.00 0.00 H new ATOM 0 HG22 THR A 632 -4.158 1.724 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 632 -4.932 0.139 -7.589 1.00 0.00 H new ATOM 96 N ARG A 633 -2.992 -1.343 -6.855 1.00 0.00 N ATOM 97 CA ARG A 633 -2.977 -2.751 -7.243 1.00 0.00 C ATOM 98 C ARG A 633 -1.838 -3.526 -6.565 1.00 0.00 C ATOM 99 O ARG A 633 -2.042 -4.670 -6.144 1.00 0.00 O ATOM 100 CB ARG A 633 -2.861 -2.871 -8.767 1.00 0.00 C ATOM 101 CG ARG A 633 -3.612 -4.061 -9.351 1.00 0.00 C ATOM 102 CD ARG A 633 -3.569 -4.056 -10.870 1.00 0.00 C ATOM 103 NE ARG A 633 -4.323 -5.176 -11.445 1.00 0.00 N ATOM 104 CZ ARG A 633 -4.932 -5.156 -12.640 1.00 0.00 C ATOM 105 NH1 ARG A 633 -4.891 -4.074 -13.416 1.00 0.00 N ATOM 106 NH2 ARG A 633 -5.587 -6.230 -13.059 1.00 0.00 N ATOM 0 H ARG A 633 -2.795 -0.708 -7.628 1.00 0.00 H new ATOM 0 HA ARG A 633 -3.915 -3.194 -6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 633 -3.238 -1.956 -9.224 1.00 0.00 H new ATOM 0 HB3 ARG A 633 -1.808 -2.951 -9.036 1.00 0.00 H new ATOM 0 HG2 ARG A 633 -3.176 -4.987 -8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -4.649 -4.039 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -3.977 -3.116 -11.241 1.00 0.00 H new ATOM 0 HD3 ARG A 633 -2.533 -4.107 -11.204 1.00 0.00 H new ATOM 0 HE ARG A 633 -4.389 -6.033 -10.895 1.00 0.00 H new ATOM 0 HH11 ARG A 633 -4.390 -3.242 -13.105 1.00 0.00 H new ATOM 0 HH12 ARG A 633 -5.360 -4.078 -14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 633 -5.626 -7.064 -12.474 1.00 0.00 H new ATOM 0 HH22 ARG A 633 -6.052 -6.222 -13.967 1.00 0.00 H new ATOM 120 N GLU A 634 -0.640 -2.904 -6.451 1.00 0.00 N ATOM 121 CA GLU A 634 0.504 -3.568 -5.870 1.00 0.00 C ATOM 122 C GLU A 634 0.327 -3.627 -4.374 1.00 0.00 C ATOM 123 O GLU A 634 0.475 -4.669 -3.783 1.00 0.00 O ATOM 124 CB GLU A 634 1.807 -2.843 -6.237 1.00 0.00 C ATOM 125 CG GLU A 634 2.223 -3.019 -7.691 1.00 0.00 C ATOM 126 CD GLU A 634 3.508 -2.287 -8.022 1.00 0.00 C ATOM 127 OE1 GLU A 634 3.433 -1.106 -8.423 1.00 0.00 O ATOM 128 OE2 GLU A 634 4.591 -2.894 -7.881 1.00 0.00 O ATOM 0 H GLU A 634 -0.462 -1.948 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 634 0.573 -4.580 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 634 1.690 -1.779 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 634 2.608 -3.208 -5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 634 2.349 -4.081 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 634 1.425 -2.657 -8.340 1.00 0.00 H new ATOM 135 N THR A 635 -0.083 -2.485 -3.812 1.00 0.00 N ATOM 136 CA THR A 635 -0.284 -2.277 -2.371 1.00 0.00 C ATOM 137 C THR A 635 -1.176 -3.320 -1.682 1.00 0.00 C ATOM 138 O THR A 635 -0.775 -3.889 -0.670 1.00 0.00 O ATOM 139 CB THR A 635 -0.832 -0.868 -2.133 1.00 0.00 C ATOM 140 OG1 THR A 635 -2.023 -0.678 -2.890 1.00 0.00 O ATOM 141 CG2 THR A 635 0.200 0.164 -2.556 1.00 0.00 C ATOM 0 H THR A 635 -0.291 -1.653 -4.364 1.00 0.00 H new ATOM 0 HA THR A 635 0.697 -2.399 -1.911 1.00 0.00 H new ATOM 0 HB THR A 635 -1.053 -0.749 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 635 -2.451 0.162 -2.622 1.00 0.00 H new ATOM 0 HG21 THR A 635 -0.195 1.165 -2.384 1.00 0.00 H new ATOM 0 HG22 THR A 635 1.111 0.028 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 635 0.426 0.040 -3.615 1.00 0.00 H new ATOM 149 N GLU A 636 -2.377 -3.575 -2.208 1.00 0.00 N ATOM 150 CA GLU A 636 -3.264 -4.579 -1.602 1.00 0.00 C ATOM 151 C GLU A 636 -2.723 -5.995 -1.872 1.00 0.00 C ATOM 152 O GLU A 636 -2.752 -6.844 -0.980 1.00 0.00 O ATOM 153 CB GLU A 636 -4.721 -4.367 -2.051 1.00 0.00 C ATOM 154 CG GLU A 636 -5.685 -5.509 -1.726 1.00 0.00 C ATOM 155 CD GLU A 636 -7.102 -5.224 -2.184 1.00 0.00 C ATOM 156 OE1 GLU A 636 -7.875 -4.643 -1.393 1.00 0.00 O ATOM 157 OE2 GLU A 636 -7.439 -5.583 -3.332 1.00 0.00 O ATOM 0 H GLU A 636 -2.755 -3.112 -3.035 1.00 0.00 H new ATOM 0 HA GLU A 636 -3.274 -4.457 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -5.096 -3.455 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -4.730 -4.203 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -5.331 -6.424 -2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -5.683 -5.686 -0.650 1.00 0.00 H new ATOM 164 N ARG A 637 -2.224 -6.238 -3.101 1.00 0.00 N ATOM 165 CA ARG A 637 -1.607 -7.538 -3.455 1.00 0.00 C ATOM 166 C ARG A 637 -0.325 -7.735 -2.612 1.00 0.00 C ATOM 167 O ARG A 637 -0.022 -8.827 -2.131 1.00 0.00 O ATOM 168 CB ARG A 637 -1.284 -7.583 -4.955 1.00 0.00 C ATOM 169 CG ARG A 637 -1.329 -8.982 -5.554 1.00 0.00 C ATOM 170 CD ARG A 637 -0.995 -8.964 -7.037 1.00 0.00 C ATOM 171 NE ARG A 637 -1.026 -10.308 -7.623 1.00 0.00 N ATOM 172 CZ ARG A 637 -0.789 -10.585 -8.914 1.00 0.00 C ATOM 173 NH1 ARG A 637 -0.499 -9.619 -9.784 1.00 0.00 N ATOM 174 NH2 ARG A 637 -0.844 -11.841 -9.334 1.00 0.00 N ATOM 0 H ARG A 637 -2.234 -5.558 -3.862 1.00 0.00 H new ATOM 0 HA ARG A 637 -2.306 -8.346 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -1.991 -6.947 -5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 637 -0.292 -7.161 -5.116 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -0.624 -9.627 -5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -2.321 -9.410 -5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -1.705 -8.324 -7.561 1.00 0.00 H new ATOM 0 HD3 ARG A 637 -0.006 -8.528 -7.181 1.00 0.00 H new ATOM 0 HE ARG A 637 -1.244 -11.089 -7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -0.454 -8.649 -9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -0.322 -9.850 -10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -1.065 -12.589 -8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -0.665 -12.059 -10.314 1.00 0.00 H new ATOM 188 N LEU A 638 0.400 -6.619 -2.476 1.00 0.00 N ATOM 189 CA LEU A 638 1.647 -6.458 -1.704 1.00 0.00 C ATOM 190 C LEU A 638 1.435 -6.908 -0.265 1.00 0.00 C ATOM 191 O LEU A 638 2.045 -7.861 0.226 1.00 0.00 O ATOM 192 CB LEU A 638 1.975 -4.935 -1.856 1.00 0.00 C ATOM 193 CG LEU A 638 2.622 -4.063 -0.744 1.00 0.00 C ATOM 194 CD1 LEU A 638 2.958 -2.740 -1.364 1.00 0.00 C ATOM 195 CD2 LEU A 638 1.763 -3.786 0.486 1.00 0.00 C ATOM 0 H LEU A 638 0.119 -5.749 -2.928 1.00 0.00 H new ATOM 0 HA LEU A 638 2.480 -7.069 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 638 2.628 -4.851 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 638 1.035 -4.447 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 638 3.477 -4.632 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 638 3.416 -2.093 -0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 638 3.655 -2.891 -2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 638 2.048 -2.272 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 638 2.323 -3.169 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 638 0.856 -3.262 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 638 1.496 -4.729 0.963 1.00 0.00 H new ATOM 207 N ARG A 639 0.531 -6.187 0.355 1.00 0.00 N ATOM 208 CA ARG A 639 0.095 -6.390 1.737 1.00 0.00 C ATOM 209 C ARG A 639 -0.545 -7.780 1.966 1.00 0.00 C ATOM 210 O ARG A 639 -0.281 -8.417 2.991 1.00 0.00 O ATOM 211 CB ARG A 639 -0.865 -5.236 2.072 1.00 0.00 C ATOM 212 CG ARG A 639 -1.579 -5.345 3.420 1.00 0.00 C ATOM 213 CD ARG A 639 -2.964 -4.716 3.374 1.00 0.00 C ATOM 214 NE ARG A 639 -3.947 -5.598 2.733 1.00 0.00 N ATOM 215 CZ ARG A 639 -4.978 -5.180 1.985 1.00 0.00 C ATOM 216 NH1 ARG A 639 -5.186 -3.884 1.762 1.00 0.00 N ATOM 217 NH2 ARG A 639 -5.806 -6.069 1.457 1.00 0.00 N ATOM 0 H ARG A 639 0.053 -5.408 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 639 0.954 -6.379 2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -0.304 -4.302 2.052 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -1.617 -5.172 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -1.665 -6.394 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -0.982 -4.855 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -3.291 -4.485 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 639 -2.916 -3.772 2.831 1.00 0.00 H new ATOM 0 HE ARG A 639 -3.837 -6.603 2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 639 -4.555 -3.190 2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 639 -5.976 -3.585 1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -5.657 -7.065 1.621 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -6.592 -5.758 0.887 1.00 0.00 H new ATOM 231 N ARG A 640 -1.376 -8.236 1.015 1.00 0.00 N ATOM 232 CA ARG A 640 -2.054 -9.544 1.121 1.00 0.00 C ATOM 233 C ARG A 640 -1.097 -10.729 0.915 1.00 0.00 C ATOM 234 O ARG A 640 -1.180 -11.726 1.639 1.00 0.00 O ATOM 235 CB ARG A 640 -3.208 -9.634 0.117 1.00 0.00 C ATOM 236 CG ARG A 640 -4.455 -8.878 0.547 1.00 0.00 C ATOM 237 CD ARG A 640 -5.583 -9.051 -0.458 1.00 0.00 C ATOM 238 NE ARG A 640 -6.806 -8.360 -0.038 1.00 0.00 N ATOM 239 CZ ARG A 640 -7.994 -8.474 -0.647 1.00 0.00 C ATOM 240 NH1 ARG A 640 -8.148 -9.253 -1.717 1.00 0.00 N ATOM 241 NH2 ARG A 640 -9.037 -7.800 -0.180 1.00 0.00 N ATOM 0 H ARG A 640 -1.596 -7.720 0.163 1.00 0.00 H new ATOM 0 HA ARG A 640 -2.442 -9.610 2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -2.872 -9.245 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -3.464 -10.682 -0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -4.779 -9.234 1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -4.221 -7.819 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -5.266 -8.668 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -5.793 -10.113 -0.587 1.00 0.00 H new ATOM 0 HE ARG A 640 -6.748 -7.749 0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -7.354 -9.775 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -9.060 -9.327 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -8.932 -7.200 0.638 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -9.944 -7.882 -0.639 1.00 0.00 H new ATOM 255 N GLN A 641 -0.197 -10.610 -0.070 1.00 0.00 N ATOM 256 CA GLN A 641 0.770 -11.671 -0.387 1.00 0.00 C ATOM 257 C GLN A 641 2.071 -11.511 0.415 1.00 0.00 C ATOM 258 O GLN A 641 2.229 -10.546 1.169 1.00 0.00 O ATOM 259 CB GLN A 641 1.069 -11.680 -1.895 1.00 0.00 C ATOM 260 CG GLN A 641 -0.044 -12.283 -2.738 1.00 0.00 C ATOM 261 CD GLN A 641 0.364 -12.479 -4.186 1.00 0.00 C ATOM 262 OE1 GLN A 641 0.185 -11.592 -5.019 1.00 0.00 O ATOM 263 NE2 GLN A 641 0.916 -13.647 -4.492 1.00 0.00 N ATOM 0 H GLN A 641 -0.118 -9.785 -0.664 1.00 0.00 H new ATOM 0 HA GLN A 641 0.324 -12.625 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 641 1.250 -10.657 -2.226 1.00 0.00 H new ATOM 0 HB3 GLN A 641 1.988 -12.239 -2.070 1.00 0.00 H new ATOM 0 HG2 GLN A 641 -0.337 -13.243 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -0.919 -11.635 -2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 641 1.046 -14.355 -3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 641 1.210 -13.837 -5.450 1.00 0.00 H new ATOM 272 N LEU A 642 3.000 -12.473 0.240 1.00 0.00 N ATOM 273 CA LEU A 642 4.298 -12.473 0.938 1.00 0.00 C ATOM 274 C LEU A 642 5.208 -11.324 0.480 1.00 0.00 C ATOM 275 O LEU A 642 6.077 -10.882 1.237 1.00 0.00 O ATOM 276 CB LEU A 642 5.016 -13.813 0.724 1.00 0.00 C ATOM 277 CG LEU A 642 4.365 -15.028 1.398 1.00 0.00 C ATOM 278 CD1 LEU A 642 3.316 -15.658 0.490 1.00 0.00 C ATOM 279 CD2 LEU A 642 5.423 -16.053 1.779 1.00 0.00 C ATOM 0 H LEU A 642 2.871 -13.267 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 642 4.089 -12.328 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 642 5.079 -14.004 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 642 6.038 -13.720 1.092 1.00 0.00 H new ATOM 0 HG LEU A 642 3.867 -14.687 2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 642 2.870 -16.517 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 642 2.541 -14.925 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 642 3.786 -15.983 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 642 4.945 -16.909 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 642 5.949 -16.384 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 642 6.134 -15.602 2.471 1.00 0.00 H new ATOM 291 N LEU A 643 5.006 -10.859 -0.759 1.00 0.00 N ATOM 292 CA LEU A 643 5.791 -9.756 -1.318 1.00 0.00 C ATOM 293 C LEU A 643 5.017 -8.442 -1.192 1.00 0.00 C ATOM 294 O LEU A 643 4.004 -8.240 -1.868 1.00 0.00 O ATOM 295 CB LEU A 643 6.145 -10.032 -2.790 1.00 0.00 C ATOM 296 CG LEU A 643 7.119 -11.193 -3.032 1.00 0.00 C ATOM 297 CD1 LEU A 643 6.371 -12.517 -3.144 1.00 0.00 C ATOM 298 CD2 LEU A 643 7.943 -10.941 -4.285 1.00 0.00 C ATOM 0 H LEU A 643 4.301 -11.233 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 643 6.720 -9.672 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 643 5.223 -10.235 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 643 6.574 -9.126 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 643 7.793 -11.255 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 643 7.083 -13.324 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 643 5.825 -12.705 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 643 5.670 -12.469 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 643 8.629 -11.773 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 643 7.279 -10.850 -5.145 1.00 0.00 H new ATOM 0 HD23 LEU A 643 8.512 -10.019 -4.167 1.00 0.00 H new ATOM 310 N GLU A 644 5.503 -7.562 -0.311 1.00 0.00 N ATOM 311 CA GLU A 644 4.860 -6.266 -0.061 1.00 0.00 C ATOM 312 C GLU A 644 5.690 -5.135 -0.727 1.00 0.00 C ATOM 313 O GLU A 644 6.765 -4.775 -0.233 1.00 0.00 O ATOM 314 CB GLU A 644 4.695 -6.052 1.460 1.00 0.00 C ATOM 315 CG GLU A 644 4.213 -7.280 2.234 1.00 0.00 C ATOM 316 CD GLU A 644 5.333 -7.962 2.997 1.00 0.00 C ATOM 317 OE1 GLU A 644 6.237 -8.528 2.347 1.00 0.00 O ATOM 318 OE2 GLU A 644 5.309 -7.925 4.245 1.00 0.00 O ATOM 0 H GLU A 644 6.343 -7.724 0.244 1.00 0.00 H new ATOM 0 HA GLU A 644 3.864 -6.248 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 644 5.652 -5.732 1.873 1.00 0.00 H new ATOM 0 HB3 GLU A 644 3.989 -5.237 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 644 3.431 -6.982 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 644 3.766 -7.991 1.539 1.00 0.00 H new ATOM 325 N VAL A 645 5.181 -4.590 -1.865 1.00 0.00 N ATOM 326 CA VAL A 645 5.952 -3.595 -2.672 1.00 0.00 C ATOM 327 C VAL A 645 6.036 -2.087 -2.165 1.00 0.00 C ATOM 328 O VAL A 645 7.022 -1.749 -1.497 1.00 0.00 O ATOM 329 CB VAL A 645 5.323 -3.655 -4.118 1.00 0.00 C ATOM 330 CG1 VAL A 645 5.798 -2.522 -5.033 1.00 0.00 C ATOM 331 CG2 VAL A 645 5.641 -4.993 -4.777 1.00 0.00 C ATOM 0 H VAL A 645 4.260 -4.815 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 645 6.999 -3.890 -2.601 1.00 0.00 H new ATOM 0 HB VAL A 645 4.247 -3.538 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 645 5.328 -2.623 -6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 645 5.524 -1.562 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 645 6.881 -2.574 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 645 5.201 -5.021 -5.774 1.00 0.00 H new ATOM 0 HG22 VAL A 645 6.722 -5.113 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 645 5.228 -5.802 -4.175 1.00 0.00 H new ATOM 341 N PHE A 646 4.972 -1.224 -2.385 1.00 0.00 N ATOM 342 CA PHE A 646 4.967 0.202 -1.939 1.00 0.00 C ATOM 343 C PHE A 646 4.560 0.314 -0.502 1.00 0.00 C ATOM 344 O PHE A 646 5.315 0.732 0.379 1.00 0.00 O ATOM 345 CB PHE A 646 4.029 1.079 -2.776 1.00 0.00 C ATOM 346 CG PHE A 646 4.613 1.534 -4.083 1.00 0.00 C ATOM 347 CD1 PHE A 646 5.348 2.707 -4.159 1.00 0.00 C ATOM 348 CD2 PHE A 646 4.427 0.789 -5.237 1.00 0.00 C ATOM 349 CE1 PHE A 646 5.885 3.128 -5.361 1.00 0.00 C ATOM 350 CE2 PHE A 646 4.962 1.205 -6.441 1.00 0.00 C ATOM 351 CZ PHE A 646 5.692 2.376 -6.503 1.00 0.00 C ATOM 0 H PHE A 646 4.118 -1.504 -2.867 1.00 0.00 H new ATOM 0 HA PHE A 646 5.988 0.559 -2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 646 3.112 0.524 -2.974 1.00 0.00 H new ATOM 0 HB3 PHE A 646 3.751 1.955 -2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 646 5.503 3.299 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 646 3.857 -0.127 -5.194 1.00 0.00 H new ATOM 0 HE1 PHE A 646 6.455 4.044 -5.407 1.00 0.00 H new ATOM 0 HE2 PHE A 646 4.810 0.615 -7.333 1.00 0.00 H new ATOM 0 HZ PHE A 646 6.111 2.703 -7.443 1.00 0.00 H new ATOM 361 N TRP A 647 3.289 -0.082 -0.329 1.00 0.00 N ATOM 362 CA TRP A 647 2.602 -0.150 0.927 1.00 0.00 C ATOM 363 C TRP A 647 3.455 -1.010 1.847 1.00 0.00 C ATOM 364 O TRP A 647 3.556 -0.735 3.007 1.00 0.00 O ATOM 365 CB TRP A 647 1.139 -0.640 0.668 1.00 0.00 C ATOM 366 CG TRP A 647 0.217 -0.777 1.859 1.00 0.00 C ATOM 367 CD1 TRP A 647 -0.919 -0.056 2.030 1.00 0.00 C ATOM 368 CD2 TRP A 647 0.285 -1.682 2.995 1.00 0.00 C ATOM 369 NE1 TRP A 647 -1.555 -0.419 3.184 1.00 0.00 N ATOM 370 CE2 TRP A 647 -0.842 -1.410 3.798 1.00 0.00 C ATOM 371 CE3 TRP A 647 1.172 -2.680 3.430 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -1.101 -2.090 4.988 1.00 0.00 C ATOM 373 CZ3 TRP A 647 0.905 -3.352 4.609 1.00 0.00 C ATOM 374 CH2 TRP A 647 -0.221 -3.053 5.374 1.00 0.00 C ATOM 0 H TRP A 647 2.703 -0.373 -1.112 1.00 0.00 H new ATOM 0 HA TRP A 647 2.481 0.809 1.431 1.00 0.00 H new ATOM 0 HB2 TRP A 647 0.675 0.050 -0.036 1.00 0.00 H new ATOM 0 HB3 TRP A 647 1.194 -1.610 0.174 1.00 0.00 H new ATOM 0 HD1 TRP A 647 -1.273 0.702 1.347 1.00 0.00 H new ATOM 0 HE1 TRP A 647 -2.424 -0.014 3.532 1.00 0.00 H new ATOM 0 HE3 TRP A 647 2.052 -2.920 2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -1.972 -1.859 5.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 1.582 -4.124 4.943 1.00 0.00 H new ATOM 0 HH2 TRP A 647 -0.398 -3.596 6.291 1.00 0.00 H new ATOM 385 N GLY A 648 4.083 -2.043 1.280 1.00 0.00 N ATOM 386 CA GLY A 648 4.956 -2.940 2.018 1.00 0.00 C ATOM 387 C GLY A 648 6.245 -2.314 2.548 1.00 0.00 C ATOM 388 O GLY A 648 6.228 -1.653 3.584 1.00 0.00 O ATOM 0 H GLY A 648 3.995 -2.276 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 648 4.399 -3.350 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 648 5.218 -3.777 1.371 1.00 0.00 H new ATOM 392 N GLN A 649 7.355 -2.519 1.802 1.00 0.00 N ATOM 393 CA GLN A 649 8.721 -2.050 2.173 1.00 0.00 C ATOM 394 C GLN A 649 8.932 -1.787 3.698 1.00 0.00 C ATOM 395 O GLN A 649 9.338 -0.694 4.110 1.00 0.00 O ATOM 396 CB GLN A 649 9.094 -0.819 1.336 1.00 0.00 C ATOM 397 CG GLN A 649 9.628 -1.163 -0.044 1.00 0.00 C ATOM 398 CD GLN A 649 9.989 0.068 -0.852 1.00 0.00 C ATOM 399 OE1 GLN A 649 11.122 0.547 -0.802 1.00 0.00 O ATOM 400 NE2 GLN A 649 9.025 0.587 -1.603 1.00 0.00 N ATOM 0 H GLN A 649 7.333 -3.020 0.914 1.00 0.00 H new ATOM 0 HA GLN A 649 9.397 -2.874 1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 649 8.215 -0.183 1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 649 9.844 -0.238 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 649 10.509 -1.797 0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 649 8.880 -1.742 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 649 8.100 0.157 -1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 649 9.209 1.415 -2.169 1.00 0.00 H new ATOM 409 N ASP A 650 8.652 -2.826 4.525 1.00 0.00 N ATOM 410 CA ASP A 650 8.804 -2.787 6.015 1.00 0.00 C ATOM 411 C ASP A 650 7.998 -1.640 6.680 1.00 0.00 C ATOM 412 O ASP A 650 6.769 -1.707 6.725 1.00 0.00 O ATOM 413 CB ASP A 650 10.295 -2.734 6.418 1.00 0.00 C ATOM 414 CG ASP A 650 11.033 -4.020 6.095 1.00 0.00 C ATOM 415 OD1 ASP A 650 11.064 -4.920 6.961 1.00 0.00 O ATOM 416 OD2 ASP A 650 11.579 -4.127 4.977 1.00 0.00 O ATOM 0 H ASP A 650 8.312 -3.724 4.181 1.00 0.00 H new ATOM 0 HA ASP A 650 8.377 -3.715 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 650 10.777 -1.903 5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 650 10.372 -2.534 7.487 1.00 0.00 H new ATOM 421 N HIS A 651 8.700 -0.600 7.201 1.00 0.00 N ATOM 422 CA HIS A 651 8.072 0.586 7.850 1.00 0.00 C ATOM 423 C HIS A 651 6.999 1.200 6.942 1.00 0.00 C ATOM 424 O HIS A 651 5.937 1.631 7.390 1.00 0.00 O ATOM 425 CB HIS A 651 9.135 1.637 8.194 1.00 0.00 C ATOM 426 CG HIS A 651 10.074 1.212 9.284 1.00 0.00 C ATOM 427 ND1 HIS A 651 9.950 1.634 10.591 1.00 0.00 N ATOM 428 CD2 HIS A 651 11.157 0.400 9.254 1.00 0.00 C ATOM 429 CE1 HIS A 651 10.917 1.101 11.317 1.00 0.00 C ATOM 430 NE2 HIS A 651 11.661 0.348 10.529 1.00 0.00 N ATOM 0 H HIS A 651 9.719 -0.558 7.184 1.00 0.00 H new ATOM 0 HA HIS A 651 7.596 0.253 8.772 1.00 0.00 H new ATOM 0 HB2 HIS A 651 9.712 1.864 7.298 1.00 0.00 H new ATOM 0 HB3 HIS A 651 8.637 2.559 8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 651 11.551 -0.111 8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 651 11.072 1.255 12.375 1.00 0.00 H new ATOM 0 HE2 HIS A 651 12.479 -0.187 10.821 1.00 0.00 H new ATOM 439 N LYS A 652 7.332 1.183 5.655 1.00 0.00 N ATOM 440 CA LYS A 652 6.527 1.677 4.536 1.00 0.00 C ATOM 441 C LYS A 652 5.063 1.204 4.541 1.00 0.00 C ATOM 442 O LYS A 652 4.197 1.925 4.062 1.00 0.00 O ATOM 443 CB LYS A 652 7.191 1.284 3.215 1.00 0.00 C ATOM 444 CG LYS A 652 8.200 2.306 2.686 1.00 0.00 C ATOM 445 CD LYS A 652 9.504 2.311 3.485 1.00 0.00 C ATOM 446 CE LYS A 652 10.538 3.246 2.873 1.00 0.00 C ATOM 447 NZ LYS A 652 11.114 2.702 1.610 1.00 0.00 N ATOM 0 H LYS A 652 8.225 0.801 5.344 1.00 0.00 H new ATOM 0 HA LYS A 652 6.488 2.760 4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 652 7.696 0.327 3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 652 6.416 1.134 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 652 8.419 2.088 1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 652 7.755 3.301 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 652 9.300 2.616 4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 652 9.908 1.300 3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 652 10.077 4.213 2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 652 11.340 3.418 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 11.872 3.330 1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 11.503 1.754 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 10.369 2.642 0.886 1.00 0.00 H new ATOM 461 N VAL A 653 4.807 -0.003 5.090 1.00 0.00 N ATOM 462 CA VAL A 653 3.485 -0.701 5.020 1.00 0.00 C ATOM 463 C VAL A 653 2.279 0.212 5.292 1.00 0.00 C ATOM 464 O VAL A 653 1.452 0.378 4.408 1.00 0.00 O ATOM 465 CB VAL A 653 3.437 -1.939 5.981 1.00 0.00 C ATOM 466 CG1 VAL A 653 4.325 -3.065 5.467 1.00 0.00 C ATOM 467 CG2 VAL A 653 3.827 -1.597 7.425 1.00 0.00 C ATOM 0 H VAL A 653 5.513 -0.533 5.601 1.00 0.00 H new ATOM 0 HA VAL A 653 3.401 -1.036 3.986 1.00 0.00 H new ATOM 0 HB VAL A 653 2.397 -2.266 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 653 4.273 -3.911 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 653 3.983 -3.376 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 653 5.355 -2.715 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 653 3.774 -2.496 8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 653 4.844 -1.204 7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 653 3.141 -0.847 7.819 1.00 0.00 H new ATOM 477 N ASP A 654 2.131 0.727 6.476 1.00 0.00 N ATOM 478 CA ASP A 654 1.111 1.731 6.770 1.00 0.00 C ATOM 479 C ASP A 654 1.583 3.117 6.283 1.00 0.00 C ATOM 480 O ASP A 654 0.804 4.007 5.956 1.00 0.00 O ATOM 481 CB ASP A 654 0.615 1.711 8.211 1.00 0.00 C ATOM 482 CG ASP A 654 1.722 1.668 9.253 1.00 0.00 C ATOM 483 OD1 ASP A 654 2.240 2.745 9.615 1.00 0.00 O ATOM 484 OD2 ASP A 654 2.071 0.556 9.703 1.00 0.00 O ATOM 0 H ASP A 654 2.708 0.473 7.278 1.00 0.00 H new ATOM 0 HA ASP A 654 0.216 1.470 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 654 0.003 2.596 8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 654 -0.031 0.844 8.349 1.00 0.00 H new ATOM 489 N PHE A 655 2.916 3.243 6.302 1.00 0.00 N ATOM 490 CA PHE A 655 3.676 4.478 6.067 1.00 0.00 C ATOM 491 C PHE A 655 3.362 5.193 4.773 1.00 0.00 C ATOM 492 O PHE A 655 3.396 6.427 4.761 1.00 0.00 O ATOM 493 CB PHE A 655 5.174 4.233 6.172 1.00 0.00 C ATOM 494 CG PHE A 655 5.827 4.968 7.311 1.00 0.00 C ATOM 495 CD1 PHE A 655 5.918 4.390 8.568 1.00 0.00 C ATOM 496 CD2 PHE A 655 6.351 6.238 7.123 1.00 0.00 C ATOM 497 CE1 PHE A 655 6.518 5.063 9.615 1.00 0.00 C ATOM 498 CE2 PHE A 655 6.952 6.916 8.167 1.00 0.00 C ATOM 499 CZ PHE A 655 7.036 6.328 9.414 1.00 0.00 C ATOM 0 H PHE A 655 3.524 2.447 6.491 1.00 0.00 H new ATOM 0 HA PHE A 655 3.347 5.148 6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 655 5.351 3.164 6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 655 5.649 4.532 5.238 1.00 0.00 H new ATOM 0 HD1 PHE A 655 5.515 3.401 8.731 1.00 0.00 H new ATOM 0 HD2 PHE A 655 6.289 6.703 6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 655 6.582 4.601 10.589 1.00 0.00 H new ATOM 0 HE2 PHE A 655 7.356 7.905 8.008 1.00 0.00 H new ATOM 0 HZ PHE A 655 7.506 6.856 10.231 1.00 0.00 H new ATOM 509 N ILE A 656 3.082 4.452 3.676 1.00 0.00 N ATOM 510 CA ILE A 656 2.816 5.123 2.387 1.00 0.00 C ATOM 511 C ILE A 656 1.900 6.347 2.537 1.00 0.00 C ATOM 512 O ILE A 656 2.341 7.461 2.249 1.00 0.00 O ATOM 513 CB ILE A 656 2.160 4.218 1.261 1.00 0.00 C ATOM 514 CG1 ILE A 656 1.350 2.975 1.715 1.00 0.00 C ATOM 515 CG2 ILE A 656 3.218 3.756 0.268 1.00 0.00 C ATOM 516 CD1 ILE A 656 1.681 2.391 3.047 1.00 0.00 C ATOM 0 H ILE A 656 3.036 3.433 3.655 1.00 0.00 H new ATOM 0 HA ILE A 656 3.822 5.399 2.071 1.00 0.00 H new ATOM 0 HB ILE A 656 1.423 4.890 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 656 0.294 3.244 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 656 1.479 2.196 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 656 2.752 3.136 -0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 656 3.681 4.624 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 656 3.979 3.176 0.790 1.00 0.00 H new ATOM 0 HD11 ILE A 656 1.040 1.530 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 656 2.724 2.076 3.057 1.00 0.00 H new ATOM 0 HD13 ILE A 656 1.521 3.140 3.823 1.00 0.00 H new ATOM 528 N LEU A 657 0.690 6.192 3.053 1.00 0.00 N ATOM 529 CA LEU A 657 -0.213 7.346 3.164 1.00 0.00 C ATOM 530 C LEU A 657 0.238 8.353 4.237 1.00 0.00 C ATOM 531 O LEU A 657 0.132 9.564 4.019 1.00 0.00 O ATOM 532 CB LEU A 657 -1.693 6.872 3.278 1.00 0.00 C ATOM 533 CG LEU A 657 -2.745 7.703 4.095 1.00 0.00 C ATOM 534 CD1 LEU A 657 -2.469 7.678 5.598 1.00 0.00 C ATOM 535 CD2 LEU A 657 -2.865 9.142 3.593 1.00 0.00 C ATOM 0 H LEU A 657 0.311 5.309 3.395 1.00 0.00 H new ATOM 0 HA LEU A 657 -0.157 7.924 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -2.078 6.779 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -1.676 5.869 3.706 1.00 0.00 H new ATOM 0 HG LEU A 657 -3.704 7.212 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -3.225 8.268 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -2.502 6.649 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -1.483 8.099 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -3.605 9.675 4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -1.900 9.640 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 657 -3.176 9.138 2.548 1.00 0.00 H new ATOM 547 N GLN A 658 0.731 7.861 5.386 1.00 0.00 N ATOM 548 CA GLN A 658 1.203 8.737 6.485 1.00 0.00 C ATOM 549 C GLN A 658 2.303 9.732 6.037 1.00 0.00 C ATOM 550 O GLN A 658 2.708 10.605 6.812 1.00 0.00 O ATOM 551 CB GLN A 658 1.717 7.889 7.655 1.00 0.00 C ATOM 552 CG GLN A 658 0.614 7.212 8.454 1.00 0.00 C ATOM 553 CD GLN A 658 1.145 6.453 9.654 1.00 0.00 C ATOM 554 OE1 GLN A 658 1.467 5.269 9.560 1.00 0.00 O ATOM 555 NE2 GLN A 658 1.240 7.133 10.790 1.00 0.00 N ATOM 0 H GLN A 658 0.815 6.864 5.583 1.00 0.00 H new ATOM 0 HA GLN A 658 0.344 9.330 6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 658 2.394 7.126 7.269 1.00 0.00 H new ATOM 0 HB3 GLN A 658 2.300 8.523 8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 658 -0.099 7.964 8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 658 0.070 6.525 7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 658 0.961 8.114 10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 658 1.592 6.675 11.631 1.00 0.00 H new ATOM 564 N ARG A 659 2.767 9.592 4.782 1.00 0.00 N ATOM 565 CA ARG A 659 3.794 10.471 4.209 1.00 0.00 C ATOM 566 C ARG A 659 3.141 11.664 3.477 1.00 0.00 C ATOM 567 O ARG A 659 1.934 11.887 3.616 1.00 0.00 O ATOM 568 CB ARG A 659 4.709 9.669 3.266 1.00 0.00 C ATOM 569 CG ARG A 659 5.620 8.682 3.989 1.00 0.00 C ATOM 570 CD ARG A 659 6.720 8.153 3.081 1.00 0.00 C ATOM 571 NE ARG A 659 7.792 9.136 2.878 1.00 0.00 N ATOM 572 CZ ARG A 659 9.074 8.828 2.633 1.00 0.00 C ATOM 573 NH1 ARG A 659 9.476 7.561 2.556 1.00 0.00 N ATOM 574 NH2 ARG A 659 9.960 9.801 2.465 1.00 0.00 N ATOM 0 H ARG A 659 2.440 8.869 4.142 1.00 0.00 H new ATOM 0 HA ARG A 659 4.406 10.874 5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 659 4.092 9.124 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 659 5.323 10.363 2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 659 6.068 9.169 4.855 1.00 0.00 H new ATOM 0 HG3 ARG A 659 5.027 7.848 4.364 1.00 0.00 H new ATOM 0 HD2 ARG A 659 7.140 7.244 3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 659 6.292 7.880 2.116 1.00 0.00 H new ATOM 0 HE ARG A 659 7.544 10.124 2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 659 8.804 6.804 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 659 10.456 7.347 2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 659 9.664 10.776 2.523 1.00 0.00 H new ATOM 0 HH22 ARG A 659 10.937 9.575 2.278 1.00 0.00 H new ATOM 588 N GLU A 660 3.938 12.424 2.706 1.00 0.00 N ATOM 589 CA GLU A 660 3.437 13.604 1.984 1.00 0.00 C ATOM 590 C GLU A 660 2.961 13.322 0.528 1.00 0.00 C ATOM 591 O GLU A 660 2.078 14.044 0.056 1.00 0.00 O ATOM 592 CB GLU A 660 4.484 14.748 2.002 1.00 0.00 C ATOM 593 CG GLU A 660 5.841 14.436 1.355 1.00 0.00 C ATOM 594 CD GLU A 660 6.744 13.590 2.237 1.00 0.00 C ATOM 595 OE1 GLU A 660 7.501 14.172 3.042 1.00 0.00 O ATOM 596 OE2 GLU A 660 6.693 12.348 2.121 1.00 0.00 O ATOM 0 H GLU A 660 4.932 12.241 2.568 1.00 0.00 H new ATOM 0 HA GLU A 660 2.544 13.913 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.055 15.613 1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 660 4.657 15.037 3.038 1.00 0.00 H new ATOM 0 HG2 GLU A 660 5.675 13.916 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 660 6.348 15.372 1.119 1.00 0.00 H new ATOM 603 N PRO A 661 3.501 12.296 -0.224 1.00 0.00 N ATOM 604 CA PRO A 661 3.072 12.031 -1.624 1.00 0.00 C ATOM 605 C PRO A 661 1.631 11.520 -1.738 1.00 0.00 C ATOM 606 O PRO A 661 1.128 10.852 -0.833 1.00 0.00 O ATOM 607 CB PRO A 661 4.059 10.960 -2.117 1.00 0.00 C ATOM 608 CG PRO A 661 5.176 10.975 -1.133 1.00 0.00 C ATOM 609 CD PRO A 661 4.547 11.328 0.179 1.00 0.00 C ATOM 0 HA PRO A 661 3.082 12.949 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 661 3.586 9.979 -2.161 1.00 0.00 H new ATOM 0 HB3 PRO A 661 4.416 11.187 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 661 5.669 10.004 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 661 5.936 11.704 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 661 4.124 10.455 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 661 5.266 11.770 0.869 1.00 0.00 H new ATOM 617 N TYR A 662 0.987 11.837 -2.876 1.00 0.00 N ATOM 618 CA TYR A 662 -0.409 11.448 -3.149 1.00 0.00 C ATOM 619 C TYR A 662 -0.555 9.942 -3.442 1.00 0.00 C ATOM 620 O TYR A 662 -1.495 9.295 -2.960 1.00 0.00 O ATOM 621 CB TYR A 662 -0.951 12.265 -4.329 1.00 0.00 C ATOM 622 CG TYR A 662 -2.455 12.454 -4.309 1.00 0.00 C ATOM 623 CD1 TYR A 662 -3.298 11.540 -4.928 1.00 0.00 C ATOM 624 CD2 TYR A 662 -3.028 13.547 -3.670 1.00 0.00 C ATOM 625 CE1 TYR A 662 -4.669 11.709 -4.912 1.00 0.00 C ATOM 626 CE2 TYR A 662 -4.398 13.723 -3.649 1.00 0.00 C ATOM 627 CZ TYR A 662 -5.214 12.802 -4.272 1.00 0.00 C ATOM 628 OH TYR A 662 -6.579 12.974 -4.253 1.00 0.00 O ATOM 0 H TYR A 662 1.419 12.369 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 662 -0.988 11.658 -2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -0.472 13.244 -4.330 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -0.669 11.771 -5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -2.875 10.683 -5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -2.392 14.271 -3.182 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -5.310 10.989 -5.398 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -4.828 14.577 -3.147 1.00 0.00 H new ATOM 0 HH TYR A 662 -6.799 13.792 -3.760 1.00 0.00 H new ATOM 638 N CYS A 663 0.386 9.395 -4.231 1.00 0.00 N ATOM 639 CA CYS A 663 0.387 7.969 -4.612 1.00 0.00 C ATOM 640 C CYS A 663 0.396 7.043 -3.388 1.00 0.00 C ATOM 641 O CYS A 663 -0.322 6.045 -3.352 1.00 0.00 O ATOM 642 CB CYS A 663 1.594 7.664 -5.504 1.00 0.00 C ATOM 643 SG CYS A 663 1.631 8.613 -7.043 1.00 0.00 S ATOM 0 H CYS A 663 1.165 9.925 -4.622 1.00 0.00 H new ATOM 0 HA CYS A 663 -0.535 7.779 -5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 663 2.507 7.865 -4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 663 1.595 6.601 -5.745 1.00 0.00 H new ATOM 0 HG CYS A 663 2.687 8.288 -7.728 1.00 0.00 H new ATOM 649 N ARG A 664 1.193 7.417 -2.379 1.00 0.00 N ATOM 650 CA ARG A 664 1.341 6.662 -1.141 1.00 0.00 C ATOM 651 C ARG A 664 0.075 6.830 -0.301 1.00 0.00 C ATOM 652 O ARG A 664 -0.376 5.894 0.366 1.00 0.00 O ATOM 653 CB ARG A 664 2.605 7.102 -0.378 1.00 0.00 C ATOM 654 CG ARG A 664 3.893 7.009 -1.192 1.00 0.00 C ATOM 655 CD ARG A 664 5.122 7.218 -0.322 1.00 0.00 C ATOM 656 NE ARG A 664 6.361 7.180 -1.107 1.00 0.00 N ATOM 657 CZ ARG A 664 7.404 8.004 -0.929 1.00 0.00 C ATOM 658 NH1 ARG A 664 7.382 8.951 0.007 1.00 0.00 N ATOM 659 NH2 ARG A 664 8.477 7.877 -1.697 1.00 0.00 N ATOM 0 H ARG A 664 1.759 8.265 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 664 1.468 5.603 -1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 664 2.474 8.131 -0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 664 2.708 6.487 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 664 3.950 6.033 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 664 3.877 7.756 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 664 5.046 8.177 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 664 5.157 6.448 0.448 1.00 0.00 H new ATOM 0 HE ARG A 664 6.434 6.476 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 664 6.562 9.059 0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 664 8.185 9.568 0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 664 8.506 7.156 -2.418 1.00 0.00 H new ATOM 0 HH22 ARG A 664 9.274 8.500 -1.567 1.00 0.00 H new ATOM 673 N ASP A 665 -0.472 8.061 -0.346 1.00 0.00 N ATOM 674 CA ASP A 665 -1.700 8.441 0.365 1.00 0.00 C ATOM 675 C ASP A 665 -2.853 7.459 0.110 1.00 0.00 C ATOM 676 O ASP A 665 -3.569 7.108 1.032 1.00 0.00 O ATOM 677 CB ASP A 665 -2.134 9.849 -0.052 1.00 0.00 C ATOM 678 CG ASP A 665 -1.697 10.914 0.937 1.00 0.00 C ATOM 679 OD1 ASP A 665 -0.476 11.062 1.157 1.00 0.00 O ATOM 680 OD2 ASP A 665 -2.578 11.603 1.493 1.00 0.00 O ATOM 0 H ASP A 665 -0.065 8.826 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 665 -1.471 8.416 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 665 -1.718 10.077 -1.033 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -3.219 9.875 -0.152 1.00 0.00 H new ATOM 685 N ILE A 666 -2.992 7.005 -1.143 1.00 0.00 N ATOM 686 CA ILE A 666 -4.063 6.096 -1.550 1.00 0.00 C ATOM 687 C ILE A 666 -3.740 4.680 -1.076 1.00 0.00 C ATOM 688 O ILE A 666 -4.612 3.923 -0.659 1.00 0.00 O ATOM 689 CB ILE A 666 -4.351 6.169 -3.097 1.00 0.00 C ATOM 690 CG1 ILE A 666 -5.672 5.463 -3.458 1.00 0.00 C ATOM 691 CG2 ILE A 666 -3.208 5.609 -3.945 1.00 0.00 C ATOM 692 CD1 ILE A 666 -6.898 6.345 -3.323 1.00 0.00 C ATOM 0 H ILE A 666 -2.361 7.261 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 666 -4.990 6.411 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 666 -4.440 7.230 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -5.610 5.099 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -5.793 4.590 -2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -3.466 5.687 -5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -2.299 6.178 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -3.043 4.563 -3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -7.787 5.776 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -6.988 6.688 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -6.802 7.206 -3.985 1.00 0.00 H new ATOM 704 N ASN A 667 -2.449 4.362 -1.184 1.00 0.00 N ATOM 705 CA ASN A 667 -1.898 3.058 -0.846 1.00 0.00 C ATOM 706 C ASN A 667 -2.306 2.545 0.561 1.00 0.00 C ATOM 707 O ASN A 667 -3.018 1.549 0.636 1.00 0.00 O ATOM 708 CB ASN A 667 -0.379 3.159 -0.994 1.00 0.00 C ATOM 709 CG ASN A 667 0.094 3.434 -2.421 1.00 0.00 C ATOM 710 OD1 ASN A 667 -0.710 3.059 -3.417 1.00 0.00 O flip ATOM 711 ND2 ASN A 667 1.175 3.987 -2.624 1.00 0.00 N flip ATOM 0 H ASN A 667 -1.746 5.022 -1.517 1.00 0.00 H new ATOM 0 HA ASN A 667 -2.312 2.314 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 667 -0.014 3.953 -0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 667 0.071 2.229 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 667 1.764 4.260 -1.837 1.00 0.00 H new ATOM 0 HD22 ASN A 667 1.482 4.172 -3.579 1.00 0.00 H new ATOM 718 N GLN A 668 -1.891 3.203 1.671 1.00 0.00 N ATOM 719 CA GLN A 668 -2.322 2.758 3.026 1.00 0.00 C ATOM 720 C GLN A 668 -3.768 3.149 3.265 1.00 0.00 C ATOM 721 O GLN A 668 -4.546 2.388 3.843 1.00 0.00 O ATOM 722 CB GLN A 668 -1.403 3.267 4.168 1.00 0.00 C ATOM 723 CG GLN A 668 -2.044 4.228 5.189 1.00 0.00 C ATOM 724 CD GLN A 668 -2.700 3.530 6.364 1.00 0.00 C ATOM 725 OE1 GLN A 668 -3.884 3.199 6.320 1.00 0.00 O ATOM 726 NE2 GLN A 668 -1.940 3.324 7.429 1.00 0.00 N ATOM 0 H GLN A 668 -1.278 4.018 1.663 1.00 0.00 H new ATOM 0 HA GLN A 668 -2.234 1.672 3.046 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -1.019 2.402 4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -0.546 3.769 3.719 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -1.278 4.907 5.564 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -2.790 4.839 4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -0.962 3.615 7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -2.332 2.874 8.256 1.00 0.00 H new ATOM 735 N LEU A 669 -4.102 4.361 2.816 1.00 0.00 N ATOM 736 CA LEU A 669 -5.432 4.918 2.967 1.00 0.00 C ATOM 737 C LEU A 669 -6.491 3.931 2.472 1.00 0.00 C ATOM 738 O LEU A 669 -7.267 3.398 3.272 1.00 0.00 O ATOM 739 CB LEU A 669 -5.486 6.217 2.163 1.00 0.00 C ATOM 740 CG LEU A 669 -6.450 7.299 2.684 1.00 0.00 C ATOM 741 CD1 LEU A 669 -6.023 8.677 2.204 1.00 0.00 C ATOM 742 CD2 LEU A 669 -7.883 7.018 2.240 1.00 0.00 C ATOM 0 H LEU A 669 -3.448 4.980 2.336 1.00 0.00 H new ATOM 0 HA LEU A 669 -5.641 5.116 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -4.482 6.640 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -5.765 5.974 1.138 1.00 0.00 H new ATOM 0 HG LEU A 669 -6.413 7.276 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -6.718 9.426 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -5.019 8.895 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -6.025 8.699 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -8.542 7.798 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -7.930 7.004 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -8.202 6.051 2.629 1.00 0.00 H new ATOM 754 N SER A 670 -6.444 3.616 1.174 1.00 0.00 N ATOM 755 CA SER A 670 -7.402 2.684 0.578 1.00 0.00 C ATOM 756 C SER A 670 -7.142 1.229 1.006 1.00 0.00 C ATOM 757 O SER A 670 -8.067 0.544 1.441 1.00 0.00 O ATOM 758 CB SER A 670 -7.382 2.802 -0.951 1.00 0.00 C ATOM 759 OG SER A 670 -8.457 2.087 -1.539 1.00 0.00 O ATOM 0 H SER A 670 -5.757 3.991 0.520 1.00 0.00 H new ATOM 0 HA SER A 670 -8.391 2.958 0.946 1.00 0.00 H new ATOM 0 HB2 SER A 670 -7.442 3.852 -1.237 1.00 0.00 H new ATOM 0 HB3 SER A 670 -6.436 2.420 -1.335 1.00 0.00 H new ATOM 0 HG SER A 670 -8.419 2.182 -2.514 1.00 0.00 H new ATOM 765 N GLU A 671 -5.883 0.770 0.881 1.00 0.00 N ATOM 766 CA GLU A 671 -5.521 -0.623 1.208 1.00 0.00 C ATOM 767 C GLU A 671 -5.453 -0.931 2.719 1.00 0.00 C ATOM 768 O GLU A 671 -6.252 -1.746 3.192 1.00 0.00 O ATOM 769 CB GLU A 671 -4.228 -1.005 0.480 1.00 0.00 C ATOM 770 CG GLU A 671 -4.401 -1.119 -1.037 1.00 0.00 C ATOM 771 CD GLU A 671 -4.620 0.216 -1.739 1.00 0.00 C ATOM 772 OE1 GLU A 671 -3.655 0.992 -1.859 1.00 0.00 O ATOM 773 OE2 GLU A 671 -5.764 0.479 -2.164 1.00 0.00 O ATOM 0 H GLU A 671 -5.102 1.340 0.557 1.00 0.00 H new ATOM 0 HA GLU A 671 -6.337 -1.251 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -3.463 -0.260 0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -3.866 -1.956 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -3.517 -1.598 -1.458 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -5.248 -1.772 -1.248 1.00 0.00 H new ATOM 780 N ALA A 672 -4.511 -0.310 3.484 1.00 0.00 N ATOM 781 CA ALA A 672 -4.429 -0.543 4.947 1.00 0.00 C ATOM 782 C ALA A 672 -5.765 -0.358 5.697 1.00 0.00 C ATOM 783 O ALA A 672 -6.070 -1.159 6.586 1.00 0.00 O ATOM 784 CB ALA A 672 -3.371 0.341 5.584 1.00 0.00 C ATOM 0 H ALA A 672 -3.815 0.340 3.119 1.00 0.00 H new ATOM 0 HA ALA A 672 -4.155 -1.593 5.046 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -3.333 0.149 6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -2.399 0.122 5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -3.620 1.388 5.412 1.00 0.00 H new ATOM 790 N LEU A 673 -6.565 0.680 5.354 1.00 0.00 N ATOM 791 CA LEU A 673 -7.848 0.915 6.050 1.00 0.00 C ATOM 792 C LEU A 673 -8.914 -0.131 5.692 1.00 0.00 C ATOM 793 O LEU A 673 -9.644 -0.596 6.572 1.00 0.00 O ATOM 794 CB LEU A 673 -8.388 2.326 5.772 1.00 0.00 C ATOM 795 CG LEU A 673 -7.695 3.473 6.529 1.00 0.00 C ATOM 796 CD1 LEU A 673 -7.995 4.806 5.861 1.00 0.00 C ATOM 797 CD2 LEU A 673 -8.136 3.518 7.991 1.00 0.00 C ATOM 0 H LEU A 673 -6.350 1.352 4.617 1.00 0.00 H new ATOM 0 HA LEU A 673 -7.634 0.821 7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -8.306 2.521 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -9.450 2.343 6.019 1.00 0.00 H new ATOM 0 HG LEU A 673 -6.621 3.289 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -7.498 5.607 6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -7.631 4.788 4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -9.071 4.979 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -7.629 4.339 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -9.214 3.671 8.041 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -7.880 2.577 8.477 1.00 0.00 H new ATOM 809 N LEU A 674 -8.995 -0.501 4.403 1.00 0.00 N ATOM 810 CA LEU A 674 -9.976 -1.494 3.920 1.00 0.00 C ATOM 811 C LEU A 674 -9.772 -2.869 4.580 1.00 0.00 C ATOM 812 O LEU A 674 -10.744 -3.534 4.947 1.00 0.00 O ATOM 813 CB LEU A 674 -9.890 -1.628 2.391 1.00 0.00 C ATOM 814 CG LEU A 674 -11.153 -2.156 1.693 1.00 0.00 C ATOM 815 CD1 LEU A 674 -12.121 -1.020 1.384 1.00 0.00 C ATOM 816 CD2 LEU A 674 -10.783 -2.901 0.419 1.00 0.00 C ATOM 0 H LEU A 674 -8.391 -0.127 3.672 1.00 0.00 H new ATOM 0 HA LEU A 674 -10.967 -1.135 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -9.648 -0.651 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -9.060 -2.292 2.150 1.00 0.00 H new ATOM 0 HG LEU A 674 -11.651 -2.850 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -13.006 -1.421 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -12.414 -0.529 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -11.636 -0.297 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -11.689 -3.269 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -10.259 -2.226 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -10.136 -3.743 0.665 1.00 0.00 H new ATOM 828 N SER A 675 -8.501 -3.275 4.724 1.00 0.00 N ATOM 829 CA SER A 675 -8.136 -4.566 5.331 1.00 0.00 C ATOM 830 C SER A 675 -8.469 -4.615 6.832 1.00 0.00 C ATOM 831 O SER A 675 -8.957 -5.634 7.329 1.00 0.00 O ATOM 832 CB SER A 675 -6.644 -4.843 5.116 1.00 0.00 C ATOM 833 OG SER A 675 -6.307 -6.172 5.477 1.00 0.00 O ATOM 0 H SER A 675 -7.699 -2.720 4.424 1.00 0.00 H new ATOM 0 HA SER A 675 -8.728 -5.338 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 675 -6.388 -4.672 4.070 1.00 0.00 H new ATOM 0 HB3 SER A 675 -6.054 -4.143 5.707 1.00 0.00 H new ATOM 0 HG SER A 675 -5.350 -6.319 5.327 1.00 0.00 H new ATOM 839 N LEU A 676 -8.200 -3.505 7.539 1.00 0.00 N ATOM 840 CA LEU A 676 -8.452 -3.400 8.985 1.00 0.00 C ATOM 841 C LEU A 676 -9.956 -3.337 9.307 1.00 0.00 C ATOM 842 O LEU A 676 -10.414 -3.973 10.261 1.00 0.00 O ATOM 843 CB LEU A 676 -7.738 -2.160 9.552 1.00 0.00 C ATOM 844 CG LEU A 676 -7.442 -2.188 11.060 1.00 0.00 C ATOM 845 CD1 LEU A 676 -6.123 -2.897 11.345 1.00 0.00 C ATOM 846 CD2 LEU A 676 -7.419 -0.774 11.622 1.00 0.00 C ATOM 0 H LEU A 676 -7.804 -2.660 7.127 1.00 0.00 H new ATOM 0 HA LEU A 676 -8.055 -4.300 9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -6.796 -2.031 9.019 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -8.349 -1.283 9.337 1.00 0.00 H new ATOM 0 HG LEU A 676 -8.238 -2.746 11.552 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -5.938 -2.903 12.419 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -6.175 -3.923 10.980 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -5.312 -2.373 10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -7.208 -0.811 12.691 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -6.644 -0.195 11.119 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -8.388 -0.302 11.459 1.00 0.00 H new ATOM 858 N ASN A 677 -10.712 -2.568 8.505 1.00 0.00 N ATOM 859 CA ASN A 677 -12.163 -2.411 8.695 1.00 0.00 C ATOM 860 C ASN A 677 -12.942 -3.674 8.300 1.00 0.00 C ATOM 861 O ASN A 677 -13.875 -4.073 9.003 1.00 0.00 O ATOM 862 CB ASN A 677 -12.678 -1.210 7.898 1.00 0.00 C ATOM 863 CG ASN A 677 -12.431 0.107 8.610 1.00 0.00 C ATOM 864 OD1 ASN A 677 -13.263 0.568 9.391 1.00 0.00 O ATOM 865 ND2 ASN A 677 -11.284 0.719 8.343 1.00 0.00 N ATOM 0 H ASN A 677 -10.339 -2.043 7.714 1.00 0.00 H new ATOM 0 HA ASN A 677 -12.330 -2.242 9.759 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -12.192 -1.189 6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -13.747 -1.328 7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -11.064 1.608 8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -10.623 0.301 7.689 1.00 0.00 H new ATOM 872 N PHE A 678 -12.549 -4.294 7.174 1.00 0.00 N ATOM 873 CA PHE A 678 -13.200 -5.514 6.673 1.00 0.00 C ATOM 874 C PHE A 678 -12.845 -6.734 7.538 1.00 0.00 C ATOM 875 O PHE A 678 -11.645 -7.080 7.618 1.00 0.00 O ATOM 876 CB PHE A 678 -12.808 -5.761 5.208 1.00 0.00 C ATOM 877 CG PHE A 678 -13.810 -6.576 4.434 1.00 0.00 C ATOM 878 CD1 PHE A 678 -13.716 -7.958 4.393 1.00 0.00 C ATOM 879 CD2 PHE A 678 -14.843 -5.957 3.748 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.635 -8.708 3.683 1.00 0.00 C ATOM 881 CE2 PHE A 678 -15.764 -6.702 3.036 1.00 0.00 C ATOM 882 CZ PHE A 678 -15.660 -8.079 3.003 1.00 0.00 C ATOM 883 OXT PHE A 678 -13.773 -7.329 8.126 1.00 0.00 O ATOM 0 H PHE A 678 -11.779 -3.967 6.591 1.00 0.00 H new ATOM 0 HA PHE A 678 -14.279 -5.369 6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -12.676 -4.800 4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -11.844 -6.269 5.181 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -12.916 -8.455 4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -14.929 -4.881 3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -14.552 -9.785 3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -16.565 -6.208 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 678 -16.379 -8.663 2.447 1.00 0.00 H new TER 893 PHE A 678