USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -144:sc= -1.1 (180deg=-4.67!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -140:sc= -1.31 USER MOD Single : A 20 HIS : no HE2:sc= -10.8! C(o=-11!,f=-11!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -33:sc= 1.09 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 57 HIS : no HD1:sc= -14.5! C(o=-14!,f=-14!) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -0.0259 (180deg=-0.261) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc=-5.92e-05 X(o=-5.9e-05,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.301 4.723 -7.892 1.00 0.00 N ATOM 37 CA MET A 1 11.945 4.210 -7.982 1.00 0.00 C ATOM 38 C MET A 1 11.317 4.554 -9.334 1.00 0.00 C ATOM 39 O MET A 1 10.937 5.700 -9.572 1.00 0.00 O ATOM 40 CB MET A 1 11.096 4.807 -6.857 1.00 0.00 C ATOM 41 CG MET A 1 9.607 4.743 -7.201 1.00 0.00 C ATOM 42 SD MET A 1 8.641 4.602 -5.707 1.00 0.00 S ATOM 43 CE MET A 1 8.878 2.870 -5.347 1.00 0.00 C ATOM 0 H1 MET A 1 13.705 4.476 -6.966 1.00 0.00 H new ATOM 0 H2 MET A 1 13.882 4.303 -8.646 1.00 0.00 H new ATOM 0 H3 MET A 1 13.289 5.757 -8.000 1.00 0.00 H new ATOM 0 HA MET A 1 11.980 3.125 -7.885 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.282 4.266 -5.930 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.389 5.843 -6.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.314 5.637 -7.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.412 3.891 -7.852 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.962 2.457 -4.925 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.126 2.338 -6.265 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.691 2.755 -4.630 1.00 0.00 H new ATOM 53 N ASP A 2 11.227 3.542 -10.184 1.00 0.00 N ATOM 54 CA ASP A 2 10.651 3.723 -11.505 1.00 0.00 C ATOM 55 C ASP A 2 9.384 2.874 -11.626 1.00 0.00 C ATOM 56 O ASP A 2 9.191 1.929 -10.863 1.00 0.00 O ATOM 57 CB ASP A 2 11.626 3.276 -12.597 1.00 0.00 C ATOM 58 CG ASP A 2 13.034 3.863 -12.486 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.171 4.880 -11.773 1.00 0.00 O ATOM 60 OD2 ASP A 2 13.943 3.281 -13.117 1.00 0.00 O ATOM 0 H ASP A 2 11.544 2.593 -9.983 1.00 0.00 H new ATOM 0 HA ASP A 2 10.427 4.782 -11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.699 2.189 -12.575 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.211 3.548 -13.567 1.00 0.00 H new ATOM 65 N LEU A 3 8.554 3.241 -12.591 1.00 0.00 N ATOM 66 CA LEU A 3 7.311 2.525 -12.822 1.00 0.00 C ATOM 67 C LEU A 3 7.615 1.042 -13.039 1.00 0.00 C ATOM 68 O LEU A 3 6.972 0.179 -12.443 1.00 0.00 O ATOM 69 CB LEU A 3 6.528 3.167 -13.969 1.00 0.00 C ATOM 70 CG LEU A 3 5.401 4.118 -13.562 1.00 0.00 C ATOM 71 CD1 LEU A 3 5.820 5.578 -13.752 1.00 0.00 C ATOM 72 CD2 LEU A 3 4.108 3.791 -14.312 1.00 0.00 C ATOM 0 H LEU A 3 8.718 4.025 -13.222 1.00 0.00 H new ATOM 0 HA LEU A 3 6.664 2.593 -11.948 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.229 3.715 -14.599 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.102 2.372 -14.582 1.00 0.00 H new ATOM 0 HG LEU A 3 5.201 3.975 -12.500 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.001 6.233 -13.455 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.694 5.789 -13.136 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.064 5.753 -14.800 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.324 4.482 -14.004 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.275 3.887 -15.385 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.803 2.770 -14.083 1.00 0.00 H new ATOM 84 N GLU A 4 8.595 0.790 -13.894 1.00 0.00 N ATOM 85 CA GLU A 4 8.992 -0.574 -14.197 1.00 0.00 C ATOM 86 C GLU A 4 9.317 -1.331 -12.908 1.00 0.00 C ATOM 87 O GLU A 4 8.967 -2.502 -12.766 1.00 0.00 O ATOM 88 CB GLU A 4 10.180 -0.598 -15.162 1.00 0.00 C ATOM 89 CG GLU A 4 9.774 -0.083 -16.544 1.00 0.00 C ATOM 90 CD GLU A 4 10.800 -0.490 -17.604 1.00 0.00 C ATOM 91 OE1 GLU A 4 11.993 -0.563 -17.239 1.00 0.00 O ATOM 92 OE2 GLU A 4 10.368 -0.718 -18.754 1.00 0.00 O ATOM 0 H GLU A 4 9.126 1.508 -14.387 1.00 0.00 H new ATOM 0 HA GLU A 4 8.157 -1.074 -14.688 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.989 0.015 -14.764 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.564 -1.615 -15.247 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.794 -0.479 -16.810 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.683 1.003 -16.519 1.00 0.00 H new ATOM 99 N THR A 5 9.984 -0.632 -12.001 1.00 0.00 N ATOM 100 CA THR A 5 10.360 -1.224 -10.728 1.00 0.00 C ATOM 101 C THR A 5 9.149 -1.298 -9.796 1.00 0.00 C ATOM 102 O THR A 5 9.055 -2.201 -8.966 1.00 0.00 O ATOM 103 CB THR A 5 11.521 -0.409 -10.153 1.00 0.00 C ATOM 104 OG1 THR A 5 12.676 -0.966 -10.774 1.00 0.00 O ATOM 105 CG2 THR A 5 11.737 -0.671 -8.661 1.00 0.00 C ATOM 0 H THR A 5 10.274 0.338 -12.122 1.00 0.00 H new ATOM 0 HA THR A 5 10.697 -2.253 -10.854 1.00 0.00 H new ATOM 0 HB THR A 5 11.333 0.653 -10.312 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.476 -0.495 -10.459 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.572 -0.069 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.835 -0.405 -8.110 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.959 -1.727 -8.505 1.00 0.00 H new ATOM 113 N LEU A 6 8.253 -0.337 -9.964 1.00 0.00 N ATOM 114 CA LEU A 6 7.052 -0.283 -9.148 1.00 0.00 C ATOM 115 C LEU A 6 6.312 -1.618 -9.248 1.00 0.00 C ATOM 116 O LEU A 6 5.723 -2.080 -8.272 1.00 0.00 O ATOM 117 CB LEU A 6 6.196 0.925 -9.534 1.00 0.00 C ATOM 118 CG LEU A 6 6.362 2.171 -8.662 1.00 0.00 C ATOM 119 CD1 LEU A 6 6.426 1.798 -7.180 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.578 2.990 -9.100 1.00 0.00 C ATOM 0 H LEU A 6 8.335 0.411 -10.653 1.00 0.00 H new ATOM 0 HA LEU A 6 7.311 -0.139 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.426 1.194 -10.565 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.148 0.626 -9.509 1.00 0.00 H new ATOM 0 HG LEU A 6 5.484 2.802 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.544 2.702 -6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.505 1.290 -6.892 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.274 1.136 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.672 3.870 -8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.478 2.381 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.451 3.304 -10.136 1.00 0.00 H new ATOM 132 N ARG A 7 6.365 -2.200 -10.437 1.00 0.00 N ATOM 133 CA ARG A 7 5.707 -3.473 -10.677 1.00 0.00 C ATOM 134 C ARG A 7 6.511 -4.613 -10.048 1.00 0.00 C ATOM 135 O ARG A 7 5.942 -5.507 -9.422 1.00 0.00 O ATOM 136 CB ARG A 7 5.548 -3.737 -12.176 1.00 0.00 C ATOM 137 CG ARG A 7 5.606 -2.432 -12.971 1.00 0.00 C ATOM 138 CD ARG A 7 4.673 -2.486 -14.183 1.00 0.00 C ATOM 139 NE ARG A 7 5.461 -2.400 -15.433 1.00 0.00 N ATOM 140 CZ ARG A 7 4.995 -2.745 -16.640 1.00 0.00 C ATOM 141 NH1 ARG A 7 3.742 -3.202 -16.769 1.00 0.00 N ATOM 142 NH2 ARG A 7 5.781 -2.634 -17.719 1.00 0.00 N ATOM 0 H ARG A 7 6.854 -1.813 -11.245 1.00 0.00 H new ATOM 0 HA ARG A 7 4.718 -3.426 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.335 -4.410 -12.516 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.598 -4.238 -12.362 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.325 -1.598 -12.328 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.628 -2.249 -13.302 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.098 -3.412 -14.169 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.957 -1.666 -14.138 1.00 0.00 H new ATOM 0 HE ARG A 7 6.419 -2.056 -15.371 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.143 -3.287 -15.948 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.387 -3.465 -17.688 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.735 -2.287 -17.621 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.425 -2.897 -18.638 1.00 0.00 H new ATOM 156 N ALA A 8 7.820 -4.545 -10.236 1.00 0.00 N ATOM 157 CA ALA A 8 8.708 -5.561 -9.695 1.00 0.00 C ATOM 158 C ALA A 8 8.526 -5.634 -8.177 1.00 0.00 C ATOM 159 O ALA A 8 8.294 -6.710 -7.628 1.00 0.00 O ATOM 160 CB ALA A 8 10.150 -5.244 -10.095 1.00 0.00 C ATOM 0 H ALA A 8 8.288 -3.802 -10.755 1.00 0.00 H new ATOM 0 HA ALA A 8 8.465 -6.542 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.816 -6.006 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.232 -5.232 -11.182 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.431 -4.268 -9.699 1.00 0.00 H new ATOM 166 N ARG A 9 8.639 -4.476 -7.543 1.00 0.00 N ATOM 167 CA ARG A 9 8.490 -4.396 -6.100 1.00 0.00 C ATOM 168 C ARG A 9 7.067 -4.782 -5.691 1.00 0.00 C ATOM 169 O ARG A 9 6.859 -5.356 -4.623 1.00 0.00 O ATOM 170 CB ARG A 9 8.794 -2.985 -5.593 1.00 0.00 C ATOM 171 CG ARG A 9 8.152 -1.928 -6.494 1.00 0.00 C ATOM 172 CD ARG A 9 7.241 -1.000 -5.687 1.00 0.00 C ATOM 173 NE ARG A 9 6.372 -1.797 -4.793 1.00 0.00 N ATOM 174 CZ ARG A 9 5.393 -1.278 -4.039 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.152 0.040 -4.068 1.00 0.00 N ATOM 176 NH2 ARG A 9 4.654 -2.077 -3.257 1.00 0.00 N ATOM 0 H ARG A 9 8.832 -3.586 -8.002 1.00 0.00 H new ATOM 0 HA ARG A 9 9.201 -5.091 -5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.423 -2.873 -4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.873 -2.832 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.929 -1.343 -6.985 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.576 -2.416 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.843 -0.307 -5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.630 -0.400 -6.361 1.00 0.00 H new ATOM 0 HE ARG A 9 6.528 -2.804 -4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.714 0.648 -4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.407 0.435 -3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.837 -3.080 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.909 -1.682 -2.683 1.00 0.00 H new ATOM 190 N ARG A 10 6.125 -4.452 -6.562 1.00 0.00 N ATOM 191 CA ARG A 10 4.728 -4.757 -6.305 1.00 0.00 C ATOM 192 C ARG A 10 4.532 -6.267 -6.159 1.00 0.00 C ATOM 193 O ARG A 10 3.901 -6.726 -5.208 1.00 0.00 O ATOM 194 CB ARG A 10 3.834 -4.241 -7.434 1.00 0.00 C ATOM 195 CG ARG A 10 2.632 -3.476 -6.877 1.00 0.00 C ATOM 196 CD ARG A 10 2.720 -1.988 -7.223 1.00 0.00 C ATOM 197 NE ARG A 10 2.714 -1.179 -5.984 1.00 0.00 N ATOM 198 CZ ARG A 10 1.755 -1.241 -5.051 1.00 0.00 C ATOM 199 NH1 ARG A 10 0.718 -2.075 -5.210 1.00 0.00 N ATOM 200 NH2 ARG A 10 1.832 -0.469 -3.958 1.00 0.00 N ATOM 0 H ARG A 10 6.302 -3.976 -7.447 1.00 0.00 H new ATOM 0 HA ARG A 10 4.446 -4.259 -5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.411 -3.590 -8.091 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.487 -5.078 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.711 -3.894 -7.283 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.588 -3.599 -5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.629 -1.791 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.880 -1.703 -7.857 1.00 0.00 H new ATOM 0 HE ARG A 10 3.489 -0.534 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.659 -2.663 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.012 -2.122 -4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.621 0.166 -3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.102 -0.516 -3.248 1.00 0.00 H new ATOM 214 N GLU A 11 5.086 -6.999 -7.115 1.00 0.00 N ATOM 215 CA GLU A 11 4.980 -8.448 -7.105 1.00 0.00 C ATOM 216 C GLU A 11 5.607 -9.017 -5.830 1.00 0.00 C ATOM 217 O GLU A 11 5.007 -9.857 -5.161 1.00 0.00 O ATOM 218 CB GLU A 11 5.628 -9.053 -8.352 1.00 0.00 C ATOM 219 CG GLU A 11 4.569 -9.439 -9.387 1.00 0.00 C ATOM 220 CD GLU A 11 5.148 -10.394 -10.433 1.00 0.00 C ATOM 221 OE1 GLU A 11 5.993 -9.923 -11.225 1.00 0.00 O ATOM 222 OE2 GLU A 11 4.732 -11.572 -10.418 1.00 0.00 O ATOM 0 H GLU A 11 5.610 -6.615 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 11 3.924 -8.716 -7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.324 -8.337 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.208 -9.933 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.722 -9.910 -8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.191 -8.542 -9.878 1.00 0.00 H new ATOM 229 N ALA A 12 6.805 -8.535 -5.532 1.00 0.00 N ATOM 230 CA ALA A 12 7.519 -8.985 -4.349 1.00 0.00 C ATOM 231 C ALA A 12 6.811 -8.458 -3.100 1.00 0.00 C ATOM 232 O ALA A 12 6.754 -9.142 -2.079 1.00 0.00 O ATOM 233 CB ALA A 12 8.977 -8.530 -4.429 1.00 0.00 C ATOM 0 H ALA A 12 7.299 -7.838 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 12 7.520 -10.074 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.513 -8.867 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.443 -8.956 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.016 -7.442 -4.485 1.00 0.00 H new ATOM 239 N VAL A 13 6.289 -7.246 -3.221 1.00 0.00 N ATOM 240 CA VAL A 13 5.587 -6.619 -2.114 1.00 0.00 C ATOM 241 C VAL A 13 4.277 -7.366 -1.858 1.00 0.00 C ATOM 242 O VAL A 13 3.840 -7.487 -0.715 1.00 0.00 O ATOM 243 CB VAL A 13 5.381 -5.131 -2.402 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.286 -4.546 -1.506 1.00 0.00 C ATOM 245 CG2 VAL A 13 6.690 -4.355 -2.245 1.00 0.00 C ATOM 0 H VAL A 13 6.338 -6.681 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 13 6.179 -6.681 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 13 5.056 -5.032 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.159 -3.487 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.348 -5.070 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.570 -4.664 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.515 -3.300 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.058 -4.465 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.431 -4.746 -2.942 1.00 0.00 H new ATOM 255 N LEU A 14 3.686 -7.848 -2.942 1.00 0.00 N ATOM 256 CA LEU A 14 2.434 -8.580 -2.849 1.00 0.00 C ATOM 257 C LEU A 14 2.664 -9.879 -2.075 1.00 0.00 C ATOM 258 O LEU A 14 1.852 -10.256 -1.231 1.00 0.00 O ATOM 259 CB LEU A 14 1.832 -8.791 -4.240 1.00 0.00 C ATOM 260 CG LEU A 14 1.029 -7.619 -4.808 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.461 -7.959 -4.878 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.288 -6.339 -4.011 1.00 0.00 C ATOM 0 H LEU A 14 4.051 -7.746 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 14 1.696 -8.003 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.641 -9.021 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.184 -9.667 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 14 1.366 -7.436 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.009 -7.109 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.606 -8.827 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.830 -8.183 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.705 -5.522 -4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.995 -6.492 -2.972 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.348 -6.090 -4.057 1.00 0.00 H new ATOM 274 N SER A 15 3.776 -10.529 -2.389 1.00 0.00 N ATOM 275 CA SER A 15 4.123 -11.778 -1.733 1.00 0.00 C ATOM 276 C SER A 15 4.333 -11.543 -0.236 1.00 0.00 C ATOM 277 O SER A 15 3.827 -12.299 0.592 1.00 0.00 O ATOM 278 CB SER A 15 5.377 -12.396 -2.355 1.00 0.00 C ATOM 279 OG SER A 15 5.553 -13.755 -1.963 1.00 0.00 O ATOM 0 H SER A 15 4.448 -10.214 -3.089 1.00 0.00 H new ATOM 0 HA SER A 15 3.299 -12.478 -1.871 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.309 -12.338 -3.441 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.252 -11.817 -2.059 1.00 0.00 H new ATOM 0 HG SER A 15 6.363 -14.114 -2.382 1.00 0.00 H new ATOM 285 N LEU A 16 5.081 -10.491 0.066 1.00 0.00 N ATOM 286 CA LEU A 16 5.364 -10.147 1.448 1.00 0.00 C ATOM 287 C LEU A 16 4.105 -9.564 2.093 1.00 0.00 C ATOM 288 O LEU A 16 3.847 -9.789 3.274 1.00 0.00 O ATOM 289 CB LEU A 16 6.581 -9.224 1.532 1.00 0.00 C ATOM 290 CG LEU A 16 6.512 -7.945 0.695 1.00 0.00 C ATOM 291 CD1 LEU A 16 5.685 -6.870 1.404 1.00 0.00 C ATOM 292 CD2 LEU A 16 7.913 -7.447 0.337 1.00 0.00 C ATOM 0 H LEU A 16 5.499 -9.866 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 16 5.629 -11.039 2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.729 -8.944 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.462 -9.788 1.225 1.00 0.00 H new ATOM 0 HG LEU A 16 6.004 -8.177 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.652 -5.971 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.672 -7.238 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.142 -6.634 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.835 -6.537 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.469 -7.237 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.435 -8.212 -0.237 1.00 0.00 H new ATOM 304 N CYS A 17 3.354 -8.827 1.288 1.00 0.00 N ATOM 305 CA CYS A 17 2.128 -8.210 1.765 1.00 0.00 C ATOM 306 C CYS A 17 1.204 -9.315 2.281 1.00 0.00 C ATOM 307 O CYS A 17 0.569 -9.162 3.323 1.00 0.00 O ATOM 308 CB CYS A 17 1.458 -7.368 0.678 1.00 0.00 C ATOM 309 SG CYS A 17 1.980 -5.620 0.830 1.00 0.00 S ATOM 0 H CYS A 17 3.571 -8.643 0.308 1.00 0.00 H new ATOM 0 HA CYS A 17 2.357 -7.520 2.577 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.725 -7.752 -0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.374 -7.441 0.766 1.00 0.00 H new ATOM 0 HG CYS A 17 0.962 -4.842 0.608 1.00 0.00 H new ATOM 315 N ALA A 18 1.158 -10.404 1.527 1.00 0.00 N ATOM 316 CA ALA A 18 0.322 -11.534 1.895 1.00 0.00 C ATOM 317 C ALA A 18 0.872 -12.176 3.170 1.00 0.00 C ATOM 318 O ALA A 18 0.111 -12.544 4.063 1.00 0.00 O ATOM 319 CB ALA A 18 0.253 -12.520 0.728 1.00 0.00 C ATOM 0 H ALA A 18 1.686 -10.528 0.663 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.696 -11.206 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.374 -13.368 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.172 -12.023 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.256 -12.873 0.490 1.00 0.00 H new ATOM 325 N ARG A 19 2.191 -12.292 3.214 1.00 0.00 N ATOM 326 CA ARG A 19 2.853 -12.884 4.364 1.00 0.00 C ATOM 327 C ARG A 19 2.827 -11.915 5.548 1.00 0.00 C ATOM 328 O ARG A 19 3.015 -12.323 6.693 1.00 0.00 O ATOM 329 CB ARG A 19 4.304 -13.244 4.040 1.00 0.00 C ATOM 330 CG ARG A 19 4.374 -14.465 3.120 1.00 0.00 C ATOM 331 CD ARG A 19 5.774 -15.083 3.136 1.00 0.00 C ATOM 332 NE ARG A 19 6.387 -14.980 1.793 1.00 0.00 N ATOM 333 CZ ARG A 19 7.640 -15.359 1.508 1.00 0.00 C ATOM 334 NH1 ARG A 19 8.421 -15.869 2.471 1.00 0.00 N ATOM 335 NH2 ARG A 19 8.113 -15.229 0.261 1.00 0.00 N ATOM 0 H ARG A 19 2.819 -11.986 2.471 1.00 0.00 H new ATOM 0 HA ARG A 19 2.314 -13.795 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.795 -12.396 3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.847 -13.448 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.641 -15.207 3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.112 -14.174 2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.398 -14.572 3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.716 -16.128 3.439 1.00 0.00 H new ATOM 0 HE ARG A 19 5.820 -14.596 1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.061 -15.968 3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.375 -16.158 2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.519 -14.841 -0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.067 -15.518 0.045 1.00 0.00 H new ATOM 349 N HIS A 20 2.593 -10.650 5.231 1.00 0.00 N ATOM 350 CA HIS A 20 2.540 -9.620 6.254 1.00 0.00 C ATOM 351 C HIS A 20 1.143 -9.586 6.877 1.00 0.00 C ATOM 352 O HIS A 20 0.998 -9.325 8.070 1.00 0.00 O ATOM 353 CB HIS A 20 2.968 -8.266 5.684 1.00 0.00 C ATOM 354 CG HIS A 20 4.427 -7.942 5.898 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.907 -7.383 7.070 1.00 0.00 N ATOM 356 CD2 HIS A 20 5.506 -8.106 5.080 1.00 0.00 C ATOM 357 CE1 HIS A 20 6.216 -7.221 6.950 1.00 0.00 C ATOM 358 NE2 HIS A 20 6.585 -7.670 5.716 1.00 0.00 N ATOM 0 H HIS A 20 2.438 -10.315 4.280 1.00 0.00 H new ATOM 0 HA HIS A 20 3.248 -9.855 7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.756 -8.250 4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.362 -7.483 6.141 1.00 0.00 H new ATOM 0 HD1 HIS A 20 4.348 -7.138 7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.485 -8.521 4.083 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.875 -6.806 7.698 1.00 0.00 H new ATOM 366 N GLY A 21 0.151 -9.855 6.041 1.00 0.00 N ATOM 367 CA GLY A 21 -1.230 -9.859 6.495 1.00 0.00 C ATOM 368 C GLY A 21 -2.134 -9.123 5.505 1.00 0.00 C ATOM 369 O GLY A 21 -3.357 -9.145 5.640 1.00 0.00 O ATOM 0 H GLY A 21 0.276 -10.072 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.575 -10.886 6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.296 -9.386 7.475 1.00 0.00 H new ATOM 373 N ALA A 22 -1.499 -8.488 4.531 1.00 0.00 N ATOM 374 CA ALA A 22 -2.231 -7.746 3.518 1.00 0.00 C ATOM 375 C ALA A 22 -2.768 -8.720 2.467 1.00 0.00 C ATOM 376 O ALA A 22 -1.995 -9.405 1.798 1.00 0.00 O ATOM 377 CB ALA A 22 -1.322 -6.677 2.911 1.00 0.00 C ATOM 0 H ALA A 22 -0.485 -8.472 4.422 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.085 -7.234 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.871 -6.121 2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.992 -5.994 3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.454 -7.153 2.455 1.00 0.00 H new ATOM 383 N VAL A 23 -4.087 -8.752 2.355 1.00 0.00 N ATOM 384 CA VAL A 23 -4.736 -9.631 1.397 1.00 0.00 C ATOM 385 C VAL A 23 -5.097 -8.833 0.142 1.00 0.00 C ATOM 386 O VAL A 23 -4.788 -9.251 -0.973 1.00 0.00 O ATOM 387 CB VAL A 23 -5.947 -10.307 2.044 1.00 0.00 C ATOM 388 CG1 VAL A 23 -5.550 -11.020 3.338 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.069 -9.299 2.294 1.00 0.00 C ATOM 0 H VAL A 23 -4.725 -8.183 2.912 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.059 -10.429 1.092 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.322 -11.059 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.429 -11.492 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.801 -11.781 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.137 -10.296 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.917 -9.806 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.711 -8.513 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.380 -8.858 1.347 1.00 0.00 H new ATOM 399 N ARG A 24 -5.745 -7.700 0.366 1.00 0.00 N ATOM 400 CA ARG A 24 -6.151 -6.840 -0.732 1.00 0.00 C ATOM 401 C ARG A 24 -5.116 -5.733 -0.950 1.00 0.00 C ATOM 402 O ARG A 24 -5.249 -4.638 -0.406 1.00 0.00 O ATOM 403 CB ARG A 24 -7.516 -6.205 -0.460 1.00 0.00 C ATOM 404 CG ARG A 24 -8.648 -7.107 -0.955 1.00 0.00 C ATOM 405 CD ARG A 24 -9.881 -6.284 -1.331 1.00 0.00 C ATOM 406 NE ARG A 24 -10.570 -6.901 -2.486 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.689 -6.416 -3.041 1.00 0.00 C ATOM 408 NH1 ARG A 24 -12.252 -5.304 -2.550 1.00 0.00 N ATOM 409 NH2 ARG A 24 -12.244 -7.043 -4.087 1.00 0.00 N ATOM 0 H ARG A 24 -5.999 -7.357 1.292 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.223 -7.458 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.631 -6.025 0.609 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.575 -5.236 -0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.311 -7.679 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.910 -7.827 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.561 -6.224 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.586 -5.264 -1.576 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.168 -7.749 -2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.829 -4.827 -1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.104 -4.934 -2.972 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.815 -7.889 -4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.096 -6.674 -4.510 1.00 0.00 H new ATOM 423 N VAL A 25 -4.109 -6.058 -1.747 1.00 0.00 N ATOM 424 CA VAL A 25 -3.052 -5.106 -2.044 1.00 0.00 C ATOM 425 C VAL A 25 -3.402 -4.345 -3.325 1.00 0.00 C ATOM 426 O VAL A 25 -3.452 -4.931 -4.405 1.00 0.00 O ATOM 427 CB VAL A 25 -1.706 -5.827 -2.126 1.00 0.00 C ATOM 428 CG1 VAL A 25 -0.552 -4.870 -1.817 1.00 0.00 C ATOM 429 CG2 VAL A 25 -1.676 -7.041 -1.196 1.00 0.00 C ATOM 0 H VAL A 25 -4.002 -6.967 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.964 -4.372 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.580 -6.185 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.394 -5.408 -1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.555 -4.052 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.672 -4.468 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.708 -7.535 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.836 -6.716 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.463 -7.738 -1.482 1.00 0.00 H new ATOM 439 N ARG A 26 -3.636 -3.051 -3.161 1.00 0.00 N ATOM 440 CA ARG A 26 -3.980 -2.204 -4.291 1.00 0.00 C ATOM 441 C ARG A 26 -3.399 -0.802 -4.099 1.00 0.00 C ATOM 442 O ARG A 26 -3.146 -0.379 -2.972 1.00 0.00 O ATOM 443 CB ARG A 26 -5.497 -2.101 -4.460 1.00 0.00 C ATOM 444 CG ARG A 26 -6.048 -3.313 -5.214 1.00 0.00 C ATOM 445 CD ARG A 26 -7.356 -3.800 -4.588 1.00 0.00 C ATOM 446 NE ARG A 26 -8.433 -3.803 -5.603 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.740 -3.740 -5.313 1.00 0.00 C ATOM 448 NH1 ARG A 26 -10.139 -3.670 -4.035 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.647 -3.748 -6.299 1.00 0.00 N ATOM 0 H ARG A 26 -3.594 -2.569 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.556 -2.657 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.972 -2.030 -3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.745 -1.188 -5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.216 -3.050 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.313 -4.118 -5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.224 -4.803 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.632 -3.154 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.164 -3.856 -6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.448 -3.665 -3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.133 -3.622 -3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.343 -3.802 -7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.642 -3.700 -6.078 1.00 0.00 H new ATOM 463 N VAL A 27 -3.204 -0.119 -5.217 1.00 0.00 N ATOM 464 CA VAL A 27 -2.658 1.227 -5.186 1.00 0.00 C ATOM 465 C VAL A 27 -3.788 2.237 -5.396 1.00 0.00 C ATOM 466 O VAL A 27 -4.510 2.169 -6.390 1.00 0.00 O ATOM 467 CB VAL A 27 -1.537 1.361 -6.220 1.00 0.00 C ATOM 468 CG1 VAL A 27 -0.572 2.486 -5.840 1.00 0.00 C ATOM 469 CG2 VAL A 27 -0.793 0.036 -6.396 1.00 0.00 C ATOM 0 H VAL A 27 -3.414 -0.473 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.212 1.436 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.992 1.619 -7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.215 2.560 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.115 3.430 -5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.127 2.271 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.002 0.158 -7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.356 -0.265 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.490 -0.731 -6.734 1.00 0.00 H new ATOM 479 N PHE A 28 -3.906 3.151 -4.444 1.00 0.00 N ATOM 480 CA PHE A 28 -4.936 4.173 -4.511 1.00 0.00 C ATOM 481 C PHE A 28 -4.325 5.573 -4.431 1.00 0.00 C ATOM 482 O PHE A 28 -3.474 5.835 -3.582 1.00 0.00 O ATOM 483 CB PHE A 28 -5.856 3.961 -3.308 1.00 0.00 C ATOM 484 CG PHE A 28 -5.376 4.649 -2.028 1.00 0.00 C ATOM 485 CD1 PHE A 28 -5.642 5.966 -1.822 1.00 0.00 C ATOM 486 CD2 PHE A 28 -4.681 3.942 -1.096 1.00 0.00 C ATOM 487 CE1 PHE A 28 -5.196 6.604 -0.635 1.00 0.00 C ATOM 488 CE2 PHE A 28 -4.235 4.579 0.091 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.502 5.897 0.297 1.00 0.00 C ATOM 0 H PHE A 28 -3.305 3.205 -3.622 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.476 4.095 -5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.851 4.330 -3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.950 2.892 -3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.193 6.527 -2.562 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.469 2.896 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.408 7.650 -0.472 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.684 4.018 0.831 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.163 6.382 1.200 1.00 0.00 H new ATOM 499 N GLY A 29 -4.783 6.437 -5.325 1.00 0.00 N ATOM 500 CA GLY A 29 -4.292 7.804 -5.366 1.00 0.00 C ATOM 501 C GLY A 29 -3.478 8.056 -6.637 1.00 0.00 C ATOM 502 O GLY A 29 -3.725 7.435 -7.670 1.00 0.00 O ATOM 0 H GLY A 29 -5.489 6.217 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.132 8.497 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.674 7.999 -4.489 1.00 0.00 H new ATOM 506 N SER A 30 -2.525 8.969 -6.520 1.00 0.00 N ATOM 507 CA SER A 30 -1.674 9.311 -7.646 1.00 0.00 C ATOM 508 C SER A 30 -0.665 8.190 -7.899 1.00 0.00 C ATOM 509 O SER A 30 -0.266 7.954 -9.039 1.00 0.00 O ATOM 510 CB SER A 30 -0.946 10.635 -7.404 1.00 0.00 C ATOM 511 OG SER A 30 -1.688 11.749 -7.893 1.00 0.00 O ATOM 0 H SER A 30 -2.324 9.482 -5.662 1.00 0.00 H new ATOM 0 HA SER A 30 -2.305 9.429 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.766 10.760 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.029 10.607 -7.891 1.00 0.00 H new ATOM 0 HG SER A 30 -1.191 12.575 -7.718 1.00 0.00 H new ATOM 517 N VAL A 31 -0.281 7.527 -6.818 1.00 0.00 N ATOM 518 CA VAL A 31 0.674 6.436 -6.908 1.00 0.00 C ATOM 519 C VAL A 31 0.123 5.358 -7.844 1.00 0.00 C ATOM 520 O VAL A 31 0.870 4.764 -8.620 1.00 0.00 O ATOM 521 CB VAL A 31 0.998 5.906 -5.510 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.795 4.603 -5.589 1.00 0.00 C ATOM 523 CG2 VAL A 31 1.743 6.956 -4.684 1.00 0.00 C ATOM 0 H VAL A 31 -0.614 7.725 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 31 1.615 6.786 -7.333 1.00 0.00 H new ATOM 0 HB VAL A 31 0.055 5.692 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.012 4.248 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.212 3.851 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.730 4.780 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.961 6.553 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.676 7.217 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.123 7.847 -4.584 1.00 0.00 H new ATOM 533 N ALA A 32 -1.179 5.139 -7.739 1.00 0.00 N ATOM 534 CA ALA A 32 -1.839 4.143 -8.566 1.00 0.00 C ATOM 535 C ALA A 32 -1.513 4.410 -10.037 1.00 0.00 C ATOM 536 O ALA A 32 -1.224 3.482 -10.791 1.00 0.00 O ATOM 537 CB ALA A 32 -3.344 4.165 -8.290 1.00 0.00 C ATOM 0 H ALA A 32 -1.795 5.634 -7.094 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.478 3.144 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.839 3.418 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.524 3.941 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.742 5.152 -8.524 1.00 0.00 H new ATOM 543 N ARG A 33 -1.570 5.683 -10.401 1.00 0.00 N ATOM 544 CA ARG A 33 -1.284 6.083 -11.768 1.00 0.00 C ATOM 545 C ARG A 33 0.227 6.136 -12.001 1.00 0.00 C ATOM 546 O ARG A 33 0.684 6.123 -13.143 1.00 0.00 O ATOM 547 CB ARG A 33 -1.889 7.454 -12.078 1.00 0.00 C ATOM 548 CG ARG A 33 -3.293 7.313 -12.668 1.00 0.00 C ATOM 549 CD ARG A 33 -3.261 6.517 -13.974 1.00 0.00 C ATOM 550 NE ARG A 33 -4.138 7.158 -14.980 1.00 0.00 N ATOM 551 CZ ARG A 33 -4.119 6.868 -16.288 1.00 0.00 C ATOM 552 NH1 ARG A 33 -3.268 5.946 -16.757 1.00 0.00 N ATOM 553 NH2 ARG A 33 -4.951 7.501 -17.127 1.00 0.00 N ATOM 0 H ARG A 33 -1.810 6.450 -9.773 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.731 5.342 -12.431 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.932 8.051 -11.167 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.248 7.988 -12.779 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.945 6.815 -11.950 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.716 8.301 -12.850 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.240 6.463 -14.351 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.589 5.493 -13.794 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.798 7.865 -14.657 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.635 5.465 -16.118 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.253 5.725 -17.753 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.599 8.203 -16.770 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.937 7.280 -18.123 1.00 0.00 H new ATOM 567 N GLY A 34 0.962 6.195 -10.899 1.00 0.00 N ATOM 568 CA GLY A 34 2.412 6.250 -10.969 1.00 0.00 C ATOM 569 C GLY A 34 2.922 7.665 -10.686 1.00 0.00 C ATOM 570 O GLY A 34 3.938 8.084 -11.238 1.00 0.00 O ATOM 0 H GLY A 34 0.580 6.206 -9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.841 5.554 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.744 5.931 -11.957 1.00 0.00 H new ATOM 574 N GLU A 35 2.192 8.361 -9.827 1.00 0.00 N ATOM 575 CA GLU A 35 2.557 9.720 -9.464 1.00 0.00 C ATOM 576 C GLU A 35 2.650 9.856 -7.943 1.00 0.00 C ATOM 577 O GLU A 35 1.745 9.436 -7.222 1.00 0.00 O ATOM 578 CB GLU A 35 1.565 10.728 -10.046 1.00 0.00 C ATOM 579 CG GLU A 35 2.005 11.191 -11.436 1.00 0.00 C ATOM 580 CD GLU A 35 0.826 11.775 -12.218 1.00 0.00 C ATOM 581 OE1 GLU A 35 0.585 12.990 -12.056 1.00 0.00 O ATOM 582 OE2 GLU A 35 0.194 10.992 -12.960 1.00 0.00 O ATOM 0 H GLU A 35 1.350 8.009 -9.372 1.00 0.00 H new ATOM 0 HA GLU A 35 3.537 9.939 -9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.575 10.276 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.483 11.588 -9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.791 11.941 -11.342 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.430 10.351 -11.985 1.00 0.00 H new ATOM 589 N ALA A 36 3.751 10.445 -7.499 1.00 0.00 N ATOM 590 CA ALA A 36 3.973 10.642 -6.077 1.00 0.00 C ATOM 591 C ALA A 36 5.457 10.922 -5.831 1.00 0.00 C ATOM 592 O ALA A 36 6.297 10.624 -6.678 1.00 0.00 O ATOM 593 CB ALA A 36 3.476 9.416 -5.307 1.00 0.00 C ATOM 0 H ALA A 36 4.499 10.792 -8.099 1.00 0.00 H new ATOM 0 HA ALA A 36 3.410 11.503 -5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.643 9.564 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.411 9.277 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.020 8.532 -5.640 1.00 0.00 H new ATOM 599 N ARG A 37 5.734 11.492 -4.667 1.00 0.00 N ATOM 600 CA ARG A 37 7.101 11.815 -4.299 1.00 0.00 C ATOM 601 C ARG A 37 7.480 11.114 -2.992 1.00 0.00 C ATOM 602 O ARG A 37 6.683 10.361 -2.435 1.00 0.00 O ATOM 603 CB ARG A 37 7.284 13.325 -4.131 1.00 0.00 C ATOM 604 CG ARG A 37 6.059 13.955 -3.465 1.00 0.00 C ATOM 605 CD ARG A 37 6.189 15.478 -3.407 1.00 0.00 C ATOM 606 NE ARG A 37 5.931 16.060 -4.743 1.00 0.00 N ATOM 607 CZ ARG A 37 6.095 17.355 -5.043 1.00 0.00 C ATOM 608 NH1 ARG A 37 6.517 18.212 -4.103 1.00 0.00 N ATOM 609 NH2 ARG A 37 5.838 17.794 -6.282 1.00 0.00 N ATOM 0 H ARG A 37 5.034 11.738 -3.967 1.00 0.00 H new ATOM 0 HA ARG A 37 7.751 11.468 -5.103 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.171 13.523 -3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.450 13.785 -5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.160 13.684 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.944 13.558 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.483 15.884 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.188 15.753 -3.068 1.00 0.00 H new ATOM 0 HE ARG A 37 5.608 15.436 -5.482 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.713 17.878 -3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.642 19.198 -4.331 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.517 17.142 -6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.963 18.780 -6.510 1.00 0.00 H new ATOM 623 N GLU A 38 8.696 11.387 -2.542 1.00 0.00 N ATOM 624 CA GLU A 38 9.189 10.792 -1.312 1.00 0.00 C ATOM 625 C GLU A 38 8.792 11.651 -0.110 1.00 0.00 C ATOM 626 O GLU A 38 8.996 11.254 1.036 1.00 0.00 O ATOM 627 CB GLU A 38 10.705 10.594 -1.368 1.00 0.00 C ATOM 628 CG GLU A 38 11.394 11.811 -1.988 1.00 0.00 C ATOM 629 CD GLU A 38 11.655 11.593 -3.480 1.00 0.00 C ATOM 630 OE1 GLU A 38 10.656 11.531 -4.228 1.00 0.00 O ATOM 631 OE2 GLU A 38 12.849 11.492 -3.838 1.00 0.00 O ATOM 0 H GLU A 38 9.354 12.012 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 38 8.731 9.809 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.091 10.426 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.938 9.703 -1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.772 12.695 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.336 12.001 -1.474 1.00 0.00 H new ATOM 638 N ASP A 39 8.232 12.813 -0.413 1.00 0.00 N ATOM 639 CA ASP A 39 7.805 13.732 0.628 1.00 0.00 C ATOM 640 C ASP A 39 6.277 13.823 0.627 1.00 0.00 C ATOM 641 O ASP A 39 5.706 14.741 1.213 1.00 0.00 O ATOM 642 CB ASP A 39 8.362 15.136 0.387 1.00 0.00 C ATOM 643 CG ASP A 39 8.025 16.161 1.471 1.00 0.00 C ATOM 644 OD1 ASP A 39 7.556 15.721 2.542 1.00 0.00 O ATOM 645 OD2 ASP A 39 8.244 17.363 1.204 1.00 0.00 O ATOM 0 H ASP A 39 8.064 13.139 -1.365 1.00 0.00 H new ATOM 0 HA ASP A 39 8.176 13.356 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.446 15.070 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.984 15.502 -0.568 1.00 0.00 H new ATOM 650 N SER A 40 5.659 12.858 -0.039 1.00 0.00 N ATOM 651 CA SER A 40 4.210 12.818 -0.124 1.00 0.00 C ATOM 652 C SER A 40 3.701 11.429 0.264 1.00 0.00 C ATOM 653 O SER A 40 2.530 11.113 0.058 1.00 0.00 O ATOM 654 CB SER A 40 3.730 13.186 -1.530 1.00 0.00 C ATOM 655 OG SER A 40 2.317 13.064 -1.661 1.00 0.00 O ATOM 0 H SER A 40 6.136 12.098 -0.524 1.00 0.00 H new ATOM 0 HA SER A 40 3.806 13.553 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.028 14.209 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.219 12.541 -2.260 1.00 0.00 H new ATOM 0 HG SER A 40 1.999 12.326 -1.100 1.00 0.00 H new ATOM 661 N ASP A 41 4.606 10.635 0.818 1.00 0.00 N ATOM 662 CA ASP A 41 4.263 9.287 1.236 1.00 0.00 C ATOM 663 C ASP A 41 3.597 8.550 0.073 1.00 0.00 C ATOM 664 O ASP A 41 3.319 9.146 -0.966 1.00 0.00 O ATOM 665 CB ASP A 41 3.280 9.307 2.409 1.00 0.00 C ATOM 666 CG ASP A 41 1.813 9.496 2.019 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.275 8.574 1.369 1.00 0.00 O ATOM 668 OD2 ASP A 41 1.262 10.559 2.379 1.00 0.00 O ATOM 0 H ASP A 41 5.576 10.900 0.987 1.00 0.00 H new ATOM 0 HA ASP A 41 5.181 8.786 1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.376 8.372 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.566 10.109 3.090 1.00 0.00 H new ATOM 673 N LEU A 42 3.359 7.264 0.287 1.00 0.00 N ATOM 674 CA LEU A 42 2.731 6.440 -0.731 1.00 0.00 C ATOM 675 C LEU A 42 1.384 5.933 -0.211 1.00 0.00 C ATOM 676 O LEU A 42 1.332 5.202 0.777 1.00 0.00 O ATOM 677 CB LEU A 42 3.678 5.324 -1.177 1.00 0.00 C ATOM 678 CG LEU A 42 3.258 4.547 -2.427 1.00 0.00 C ATOM 679 CD1 LEU A 42 4.120 3.297 -2.610 1.00 0.00 C ATOM 680 CD2 LEU A 42 1.765 4.214 -2.389 1.00 0.00 C ATOM 0 H LEU A 42 3.590 6.773 1.151 1.00 0.00 H new ATOM 0 HA LEU A 42 2.527 7.029 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.661 5.759 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.788 4.618 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 42 3.424 5.182 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.801 2.763 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.165 3.588 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.009 2.648 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.492 3.662 -3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.550 3.605 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.187 5.137 -2.341 1.00 0.00 H new ATOM 692 N ASP A 43 0.328 6.341 -0.899 1.00 0.00 N ATOM 693 CA ASP A 43 -1.015 5.936 -0.519 1.00 0.00 C ATOM 694 C ASP A 43 -1.247 4.486 -0.947 1.00 0.00 C ATOM 695 O ASP A 43 -1.316 4.190 -2.139 1.00 0.00 O ATOM 696 CB ASP A 43 -2.068 6.807 -1.208 1.00 0.00 C ATOM 697 CG ASP A 43 -2.515 8.033 -0.410 1.00 0.00 C ATOM 698 OD1 ASP A 43 -2.403 7.973 0.834 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.959 9.003 -1.062 1.00 0.00 O ATOM 0 H ASP A 43 0.375 6.948 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.107 6.045 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.671 7.141 -2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.943 6.193 -1.422 1.00 0.00 H new ATOM 704 N LEU A 44 -1.361 3.620 0.049 1.00 0.00 N ATOM 705 CA LEU A 44 -1.584 2.207 -0.210 1.00 0.00 C ATOM 706 C LEU A 44 -2.743 1.711 0.657 1.00 0.00 C ATOM 707 O LEU A 44 -2.723 1.869 1.876 1.00 0.00 O ATOM 708 CB LEU A 44 -0.289 1.416 -0.016 1.00 0.00 C ATOM 709 CG LEU A 44 0.204 0.627 -1.230 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.267 1.516 -2.473 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.546 -0.048 -0.939 1.00 0.00 C ATOM 0 H LEU A 44 -1.303 3.869 1.036 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.873 2.051 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.496 2.110 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.432 0.720 0.811 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.516 -0.165 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.621 0.930 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.727 1.908 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.952 2.345 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.873 -0.602 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.289 0.710 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.434 -0.734 -0.099 1.00 0.00 H new ATOM 723 N LEU A 45 -3.726 1.122 -0.008 1.00 0.00 N ATOM 724 CA LEU A 45 -4.892 0.602 0.686 1.00 0.00 C ATOM 725 C LEU A 45 -4.793 -0.923 0.769 1.00 0.00 C ATOM 726 O LEU A 45 -4.875 -1.609 -0.248 1.00 0.00 O ATOM 727 CB LEU A 45 -6.177 1.100 0.022 1.00 0.00 C ATOM 728 CG LEU A 45 -7.473 0.852 0.798 1.00 0.00 C ATOM 729 CD1 LEU A 45 -8.207 -0.378 0.260 1.00 0.00 C ATOM 730 CD2 LEU A 45 -7.201 0.745 2.300 1.00 0.00 C ATOM 0 H LEU A 45 -3.739 0.993 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.924 0.976 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.081 2.172 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.265 0.625 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.129 1.710 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.124 -0.532 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.453 -0.224 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.568 -1.255 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.138 0.569 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.518 -0.083 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.753 1.673 2.656 1.00 0.00 H new ATOM 742 N VAL A 46 -4.619 -1.407 1.990 1.00 0.00 N ATOM 743 CA VAL A 46 -4.508 -2.838 2.218 1.00 0.00 C ATOM 744 C VAL A 46 -5.448 -3.243 3.356 1.00 0.00 C ATOM 745 O VAL A 46 -5.858 -2.403 4.155 1.00 0.00 O ATOM 746 CB VAL A 46 -3.049 -3.214 2.486 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.283 -3.402 1.175 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.369 -2.171 3.374 1.00 0.00 C ATOM 0 H VAL A 46 -4.552 -0.834 2.831 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.814 -3.391 1.330 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.039 -4.165 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.249 -3.669 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.748 -4.198 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.306 -2.474 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.333 -2.462 3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.394 -1.200 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.894 -2.107 4.327 1.00 0.00 H new ATOM 758 N ALA A 47 -5.761 -4.529 3.392 1.00 0.00 N ATOM 759 CA ALA A 47 -6.645 -5.056 4.418 1.00 0.00 C ATOM 760 C ALA A 47 -5.920 -6.157 5.194 1.00 0.00 C ATOM 761 O ALA A 47 -5.499 -7.156 4.613 1.00 0.00 O ATOM 762 CB ALA A 47 -7.939 -5.554 3.772 1.00 0.00 C ATOM 0 H ALA A 47 -5.418 -5.222 2.727 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.915 -4.275 5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.601 -5.949 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.431 -4.728 3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.708 -6.341 3.054 1.00 0.00 H new ATOM 768 N PHE A 48 -5.795 -5.937 6.495 1.00 0.00 N ATOM 769 CA PHE A 48 -5.128 -6.898 7.356 1.00 0.00 C ATOM 770 C PHE A 48 -6.129 -7.894 7.946 1.00 0.00 C ATOM 771 O PHE A 48 -7.156 -7.496 8.494 1.00 0.00 O ATOM 772 CB PHE A 48 -4.484 -6.106 8.495 1.00 0.00 C ATOM 773 CG PHE A 48 -3.343 -5.189 8.049 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.617 -3.941 7.583 1.00 0.00 C ATOM 775 CD2 PHE A 48 -2.056 -5.622 8.117 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.558 -3.090 7.169 1.00 0.00 C ATOM 777 CE2 PHE A 48 -0.997 -4.772 7.702 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.271 -3.523 7.237 1.00 0.00 C ATOM 0 H PHE A 48 -6.145 -5.107 6.973 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.391 -7.461 6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.250 -5.504 8.984 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.104 -6.805 9.240 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.639 -3.597 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.839 -6.613 8.487 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.775 -2.098 6.800 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.025 -5.117 7.755 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.466 -2.876 6.922 1.00 0.00 H new ATOM 788 N GLU A 49 -5.795 -9.169 7.812 1.00 0.00 N ATOM 789 CA GLU A 49 -6.652 -10.224 8.325 1.00 0.00 C ATOM 790 C GLU A 49 -6.771 -10.119 9.847 1.00 0.00 C ATOM 791 O GLU A 49 -6.371 -9.117 10.436 1.00 0.00 O ATOM 792 CB GLU A 49 -6.133 -11.602 7.909 1.00 0.00 C ATOM 793 CG GLU A 49 -5.950 -11.685 6.393 1.00 0.00 C ATOM 794 CD GLU A 49 -7.298 -11.604 5.673 1.00 0.00 C ATOM 795 OE1 GLU A 49 -7.914 -10.518 5.742 1.00 0.00 O ATOM 796 OE2 GLU A 49 -7.682 -12.629 5.069 1.00 0.00 O ATOM 0 H GLU A 49 -4.943 -9.495 7.356 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.645 -10.101 7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.183 -11.801 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.832 -12.372 8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.304 -10.874 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.451 -12.619 6.134 1.00 0.00 H new ATOM 803 N GLU A 50 -7.324 -11.168 10.439 1.00 0.00 N ATOM 804 CA GLU A 50 -7.501 -11.206 11.880 1.00 0.00 C ATOM 805 C GLU A 50 -6.229 -11.720 12.558 1.00 0.00 C ATOM 806 O GLU A 50 -5.727 -12.789 12.214 1.00 0.00 O ATOM 807 CB GLU A 50 -8.710 -12.063 12.262 1.00 0.00 C ATOM 808 CG GLU A 50 -8.492 -12.748 13.612 1.00 0.00 C ATOM 809 CD GLU A 50 -9.828 -13.085 14.278 1.00 0.00 C ATOM 810 OE1 GLU A 50 -10.685 -12.176 14.322 1.00 0.00 O ATOM 811 OE2 GLU A 50 -9.962 -14.243 14.729 1.00 0.00 O ATOM 0 H GLU A 50 -7.655 -11.998 9.946 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.691 -10.191 12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.603 -11.439 12.307 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.885 -12.815 11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.911 -13.660 13.472 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.910 -12.097 14.265 1.00 0.00 H new ATOM 818 N GLY A 51 -5.744 -10.934 13.508 1.00 0.00 N ATOM 819 CA GLY A 51 -4.541 -11.297 14.237 1.00 0.00 C ATOM 820 C GLY A 51 -3.408 -10.309 13.950 1.00 0.00 C ATOM 821 O GLY A 51 -2.395 -10.300 14.648 1.00 0.00 O ATOM 0 H GLY A 51 -6.162 -10.047 13.790 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.751 -11.315 15.306 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.231 -12.303 13.956 1.00 0.00 H new ATOM 825 N ARG A 52 -3.617 -9.501 12.921 1.00 0.00 N ATOM 826 CA ARG A 52 -2.626 -8.512 12.533 1.00 0.00 C ATOM 827 C ARG A 52 -2.657 -7.323 13.496 1.00 0.00 C ATOM 828 O ARG A 52 -3.712 -6.737 13.729 1.00 0.00 O ATOM 829 CB ARG A 52 -2.875 -8.012 11.108 1.00 0.00 C ATOM 830 CG ARG A 52 -2.551 -9.099 10.081 1.00 0.00 C ATOM 831 CD ARG A 52 -1.039 -9.272 9.925 1.00 0.00 C ATOM 832 NE ARG A 52 -0.734 -10.629 9.420 1.00 0.00 N ATOM 833 CZ ARG A 52 -0.972 -11.756 10.105 1.00 0.00 C ATOM 834 NH1 ARG A 52 -1.518 -11.695 11.327 1.00 0.00 N ATOM 835 NH2 ARG A 52 -0.663 -12.944 9.568 1.00 0.00 N ATOM 0 H ARG A 52 -4.458 -9.511 12.344 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.647 -8.990 12.572 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.916 -7.706 11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.263 -7.131 10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.999 -10.043 10.392 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.992 -8.839 9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.648 -8.523 9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.546 -9.112 10.884 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.317 -10.712 8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.753 -10.791 11.736 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.699 -12.553 11.848 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.247 -12.991 8.638 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.844 -13.802 10.089 1.00 0.00 H new ATOM 849 N THR A 53 -1.487 -7.004 14.029 1.00 0.00 N ATOM 850 CA THR A 53 -1.367 -5.896 14.962 1.00 0.00 C ATOM 851 C THR A 53 -0.562 -4.756 14.334 1.00 0.00 C ATOM 852 O THR A 53 0.017 -4.917 13.261 1.00 0.00 O ATOM 853 CB THR A 53 -0.753 -6.432 16.256 1.00 0.00 C ATOM 854 OG1 THR A 53 0.423 -7.113 15.827 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.605 -7.530 16.898 1.00 0.00 C ATOM 0 H THR A 53 -0.614 -7.493 13.833 1.00 0.00 H new ATOM 0 HA THR A 53 -2.342 -5.471 15.200 1.00 0.00 H new ATOM 0 HB THR A 53 -0.624 -5.612 16.963 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.884 -7.491 16.605 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.124 -7.875 17.813 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.592 -7.133 17.135 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.706 -8.364 16.204 1.00 0.00 H new ATOM 863 N LEU A 54 -0.551 -3.629 15.031 1.00 0.00 N ATOM 864 CA LEU A 54 0.173 -2.462 14.556 1.00 0.00 C ATOM 865 C LEU A 54 1.631 -2.845 14.294 1.00 0.00 C ATOM 866 O LEU A 54 2.290 -2.248 13.443 1.00 0.00 O ATOM 867 CB LEU A 54 0.010 -1.296 15.532 1.00 0.00 C ATOM 868 CG LEU A 54 -0.588 -0.013 14.951 1.00 0.00 C ATOM 869 CD1 LEU A 54 0.278 0.528 13.812 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.038 -0.233 14.514 1.00 0.00 C ATOM 0 H LEU A 54 -1.032 -3.499 15.921 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.242 -2.115 13.610 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.620 -1.625 16.358 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.988 -1.060 15.951 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.599 0.744 15.735 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.169 1.440 13.417 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.278 0.747 14.187 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.344 -0.217 13.019 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.439 0.694 14.105 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.074 -1.012 13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.635 -0.538 15.374 1.00 0.00 H new ATOM 882 N LEU A 55 2.093 -3.838 15.040 1.00 0.00 N ATOM 883 CA LEU A 55 3.461 -4.306 14.898 1.00 0.00 C ATOM 884 C LEU A 55 3.656 -4.880 13.493 1.00 0.00 C ATOM 885 O LEU A 55 4.684 -4.644 12.860 1.00 0.00 O ATOM 886 CB LEU A 55 3.809 -5.290 16.018 1.00 0.00 C ATOM 887 CG LEU A 55 4.896 -4.836 16.994 1.00 0.00 C ATOM 888 CD1 LEU A 55 6.201 -4.530 16.258 1.00 0.00 C ATOM 889 CD2 LEU A 55 4.419 -3.650 17.834 1.00 0.00 C ATOM 0 H LEU A 55 1.544 -4.331 15.744 1.00 0.00 H new ATOM 0 HA LEU A 55 4.160 -3.477 15.004 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.902 -5.499 16.586 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.125 -6.230 15.564 1.00 0.00 H new ATOM 0 HG LEU A 55 5.100 -5.656 17.683 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.957 -4.210 16.975 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.547 -5.426 15.743 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.031 -3.736 15.531 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.211 -3.348 18.519 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.169 -2.816 17.178 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.537 -3.940 18.405 1.00 0.00 H new ATOM 901 N ASP A 56 2.654 -5.623 13.047 1.00 0.00 N ATOM 902 CA ASP A 56 2.702 -6.232 11.729 1.00 0.00 C ATOM 903 C ASP A 56 2.567 -5.142 10.663 1.00 0.00 C ATOM 904 O ASP A 56 3.202 -5.216 9.612 1.00 0.00 O ATOM 905 CB ASP A 56 1.554 -7.225 11.538 1.00 0.00 C ATOM 906 CG ASP A 56 1.610 -8.459 12.440 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.643 -9.161 12.379 1.00 0.00 O ATOM 908 OD2 ASP A 56 0.619 -8.674 13.171 1.00 0.00 O ATOM 0 H ASP A 56 1.803 -5.817 13.576 1.00 0.00 H new ATOM 0 HA ASP A 56 3.652 -6.758 11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.612 -6.706 11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.547 -7.553 10.499 1.00 0.00 H new ATOM 913 N HIS A 57 1.737 -4.157 10.972 1.00 0.00 N ATOM 914 CA HIS A 57 1.510 -3.054 10.053 1.00 0.00 C ATOM 915 C HIS A 57 2.824 -2.306 9.817 1.00 0.00 C ATOM 916 O HIS A 57 3.206 -2.062 8.673 1.00 0.00 O ATOM 917 CB HIS A 57 0.392 -2.143 10.564 1.00 0.00 C ATOM 918 CG HIS A 57 -0.989 -2.741 10.446 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.098 -1.999 10.076 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.430 -4.015 10.651 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.153 -2.801 10.064 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.736 -4.050 10.421 1.00 0.00 N ATOM 0 H HIS A 57 1.213 -4.099 11.845 1.00 0.00 H new ATOM 0 HA HIS A 57 1.173 -3.440 9.091 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.584 -1.901 11.609 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.419 -1.205 10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.819 -4.854 10.950 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.165 -2.516 9.815 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.331 -4.875 10.498 1.00 0.00 H new ATOM 930 N ALA A 58 3.478 -1.963 10.916 1.00 0.00 N ATOM 931 CA ALA A 58 4.741 -1.247 10.843 1.00 0.00 C ATOM 932 C ALA A 58 5.780 -2.125 10.144 1.00 0.00 C ATOM 933 O ALA A 58 6.591 -1.631 9.362 1.00 0.00 O ATOM 934 CB ALA A 58 5.177 -0.835 12.250 1.00 0.00 C ATOM 0 H ALA A 58 3.158 -2.167 11.863 1.00 0.00 H new ATOM 0 HA ALA A 58 4.632 -0.335 10.256 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.124 -0.298 12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.419 -0.188 12.691 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.300 -1.724 12.868 1.00 0.00 H new ATOM 940 N ARG A 59 5.722 -3.413 10.450 1.00 0.00 N ATOM 941 CA ARG A 59 6.648 -4.365 9.860 1.00 0.00 C ATOM 942 C ARG A 59 6.447 -4.433 8.345 1.00 0.00 C ATOM 943 O ARG A 59 7.413 -4.546 7.592 1.00 0.00 O ATOM 944 CB ARG A 59 6.456 -5.761 10.456 1.00 0.00 C ATOM 945 CG ARG A 59 7.304 -5.941 11.717 1.00 0.00 C ATOM 946 CD ARG A 59 7.623 -7.418 11.957 1.00 0.00 C ATOM 947 NE ARG A 59 7.894 -7.650 13.393 1.00 0.00 N ATOM 948 CZ ARG A 59 9.056 -7.363 13.995 1.00 0.00 C ATOM 949 NH1 ARG A 59 10.063 -6.830 13.289 1.00 0.00 N ATOM 950 NH2 ARG A 59 9.212 -7.607 15.303 1.00 0.00 N ATOM 0 H ARG A 59 5.048 -3.820 11.099 1.00 0.00 H new ATOM 0 HA ARG A 59 7.659 -4.024 10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.404 -5.916 10.696 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.730 -6.516 9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.231 -5.376 11.620 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.773 -5.535 12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.787 -8.037 11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.488 -7.713 11.363 1.00 0.00 H new ATOM 0 HE ARG A 59 7.149 -8.054 13.961 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.945 -6.643 12.293 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.948 -6.612 13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.446 -8.012 15.841 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.097 -7.388 15.761 1.00 0.00 H new ATOM 964 N LEU A 60 5.187 -4.361 7.943 1.00 0.00 N ATOM 965 CA LEU A 60 4.847 -4.412 6.532 1.00 0.00 C ATOM 966 C LEU A 60 5.199 -3.074 5.878 1.00 0.00 C ATOM 967 O LEU A 60 5.759 -3.042 4.783 1.00 0.00 O ATOM 968 CB LEU A 60 3.385 -4.822 6.347 1.00 0.00 C ATOM 969 CG LEU A 60 2.870 -4.842 4.906 1.00 0.00 C ATOM 970 CD1 LEU A 60 3.946 -5.356 3.947 1.00 0.00 C ATOM 971 CD2 LEU A 60 1.574 -5.647 4.798 1.00 0.00 C ATOM 0 H LEU A 60 4.388 -4.268 8.571 1.00 0.00 H new ATOM 0 HA LEU A 60 5.434 -5.178 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.251 -5.816 6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.761 -4.140 6.925 1.00 0.00 H new ATOM 0 HG LEU A 60 2.638 -3.818 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.555 -5.360 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.819 -4.705 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.232 -6.369 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.230 -5.645 3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.755 -6.673 5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.812 -5.197 5.435 1.00 0.00 H new ATOM 983 N LYS A 61 4.855 -2.002 6.576 1.00 0.00 N ATOM 984 CA LYS A 61 5.127 -0.665 6.077 1.00 0.00 C ATOM 985 C LYS A 61 6.637 -0.487 5.905 1.00 0.00 C ATOM 986 O LYS A 61 7.086 0.137 4.945 1.00 0.00 O ATOM 987 CB LYS A 61 4.483 0.386 6.984 1.00 0.00 C ATOM 988 CG LYS A 61 5.511 0.981 7.949 1.00 0.00 C ATOM 989 CD LYS A 61 6.275 2.134 7.294 1.00 0.00 C ATOM 990 CE LYS A 61 7.107 2.896 8.327 1.00 0.00 C ATOM 991 NZ LYS A 61 6.228 3.665 9.236 1.00 0.00 N ATOM 0 H LYS A 61 4.390 -2.032 7.483 1.00 0.00 H new ATOM 0 HA LYS A 61 4.675 -0.525 5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.048 1.179 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.668 -0.066 7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.008 1.338 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.212 0.207 8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.927 1.745 6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.572 2.815 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.712 2.196 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.796 3.572 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.785 4.398 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.468 4.114 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.812 3.024 9.942 1.00 0.00 H new ATOM 1005 N LEU A 62 7.378 -1.047 6.850 1.00 0.00 N ATOM 1006 CA LEU A 62 8.828 -0.958 6.814 1.00 0.00 C ATOM 1007 C LEU A 62 9.364 -1.870 5.709 1.00 0.00 C ATOM 1008 O LEU A 62 10.361 -1.550 5.064 1.00 0.00 O ATOM 1009 CB LEU A 62 9.417 -1.254 8.195 1.00 0.00 C ATOM 1010 CG LEU A 62 9.925 -2.680 8.416 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.295 -2.881 7.766 1.00 0.00 C ATOM 1012 CD2 LEU A 62 9.939 -3.033 9.904 1.00 0.00 C ATOM 0 H LEU A 62 7.002 -1.564 7.645 1.00 0.00 H new ATOM 0 HA LEU A 62 9.141 0.057 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.242 -0.564 8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.656 -1.040 8.946 1.00 0.00 H new ATOM 0 HG LEU A 62 9.234 -3.368 7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.633 -3.903 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.219 -2.700 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.010 -2.184 8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.304 -4.052 10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.594 -2.343 10.436 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.929 -2.956 10.306 1.00 0.00 H new ATOM 1024 N ALA A 63 8.677 -2.988 5.523 1.00 0.00 N ATOM 1025 CA ALA A 63 9.071 -3.948 4.506 1.00 0.00 C ATOM 1026 C ALA A 63 8.960 -3.298 3.126 1.00 0.00 C ATOM 1027 O ALA A 63 9.801 -3.528 2.258 1.00 0.00 O ATOM 1028 CB ALA A 63 8.208 -5.205 4.630 1.00 0.00 C ATOM 0 H ALA A 63 7.850 -3.250 6.060 1.00 0.00 H new ATOM 0 HA ALA A 63 10.109 -4.250 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.503 -5.926 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.346 -5.645 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.159 -4.941 4.494 1.00 0.00 H new ATOM 1034 N LEU A 64 7.916 -2.498 2.966 1.00 0.00 N ATOM 1035 CA LEU A 64 7.684 -1.813 1.706 1.00 0.00 C ATOM 1036 C LEU A 64 8.708 -0.688 1.546 1.00 0.00 C ATOM 1037 O LEU A 64 9.073 -0.330 0.428 1.00 0.00 O ATOM 1038 CB LEU A 64 6.232 -1.340 1.612 1.00 0.00 C ATOM 1039 CG LEU A 64 5.162 -2.408 1.852 1.00 0.00 C ATOM 1040 CD1 LEU A 64 3.920 -2.141 1.000 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.726 -3.811 1.619 1.00 0.00 C ATOM 0 H LEU A 64 7.221 -2.309 3.688 1.00 0.00 H new ATOM 0 HA LEU A 64 7.827 -2.497 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.085 -0.537 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.074 -0.911 0.623 1.00 0.00 H new ATOM 0 HG LEU A 64 4.854 -2.354 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.176 -2.914 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.505 -1.167 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.193 -2.152 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.946 -4.551 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.079 -3.895 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.556 -3.988 2.303 1.00 0.00 H new ATOM 1053 N GLU A 65 9.143 -0.161 2.682 1.00 0.00 N ATOM 1054 CA GLU A 65 10.118 0.916 2.682 1.00 0.00 C ATOM 1055 C GLU A 65 11.462 0.416 2.150 1.00 0.00 C ATOM 1056 O GLU A 65 12.203 1.168 1.518 1.00 0.00 O ATOM 1057 CB GLU A 65 10.271 1.517 4.081 1.00 0.00 C ATOM 1058 CG GLU A 65 9.193 2.570 4.346 1.00 0.00 C ATOM 1059 CD GLU A 65 9.737 3.706 5.215 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.914 4.069 5.002 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.965 4.185 6.072 1.00 0.00 O ATOM 0 H GLU A 65 8.838 -0.460 3.608 1.00 0.00 H new ATOM 0 HA GLU A 65 9.759 1.705 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.205 0.727 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.258 1.969 4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.832 2.972 3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.340 2.106 4.841 1.00 0.00 H new ATOM 1068 N GLY A 66 11.737 -0.851 2.426 1.00 0.00 N ATOM 1069 CA GLY A 66 12.979 -1.461 1.983 1.00 0.00 C ATOM 1070 C GLY A 66 12.949 -1.736 0.478 1.00 0.00 C ATOM 1071 O GLY A 66 13.871 -1.361 -0.244 1.00 0.00 O ATOM 0 H GLY A 66 11.121 -1.471 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.816 -0.804 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.143 -2.393 2.523 1.00 0.00 H new ATOM 1075 N LEU A 67 11.879 -2.390 0.050 1.00 0.00 N ATOM 1076 CA LEU A 67 11.716 -2.720 -1.355 1.00 0.00 C ATOM 1077 C LEU A 67 11.605 -1.429 -2.169 1.00 0.00 C ATOM 1078 O LEU A 67 12.245 -1.290 -3.210 1.00 0.00 O ATOM 1079 CB LEU A 67 10.535 -3.673 -1.549 1.00 0.00 C ATOM 1080 CG LEU A 67 10.862 -5.029 -2.176 1.00 0.00 C ATOM 1081 CD1 LEU A 67 11.023 -6.106 -1.100 1.00 0.00 C ATOM 1082 CD2 LEU A 67 9.816 -5.417 -3.222 1.00 0.00 C ATOM 0 H LEU A 67 11.116 -2.700 0.652 1.00 0.00 H new ATOM 0 HA LEU A 67 12.591 -3.255 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.071 -3.847 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.792 -3.176 -2.173 1.00 0.00 H new ATOM 0 HG LEU A 67 11.818 -4.944 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.255 -7.060 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.833 -5.828 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.096 -6.197 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.073 -6.385 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.835 -5.478 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.793 -4.665 -4.010 1.00 0.00 H new ATOM 1094 N LEU A 68 10.787 -0.518 -1.663 1.00 0.00 N ATOM 1095 CA LEU A 68 10.584 0.757 -2.329 1.00 0.00 C ATOM 1096 C LEU A 68 11.727 1.706 -1.966 1.00 0.00 C ATOM 1097 O LEU A 68 11.912 2.737 -2.610 1.00 0.00 O ATOM 1098 CB LEU A 68 9.196 1.315 -2.007 1.00 0.00 C ATOM 1099 CG LEU A 68 8.009 0.516 -2.549 1.00 0.00 C ATOM 1100 CD1 LEU A 68 8.269 -0.988 -2.448 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.710 0.922 -1.851 1.00 0.00 C ATOM 0 H LEU A 68 10.257 -0.638 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 68 10.608 0.629 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.097 1.385 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.134 2.330 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 68 7.893 0.752 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.410 -1.533 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.156 -1.244 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.426 -1.261 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.882 0.339 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.798 0.734 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.523 1.983 -2.019 1.00 0.00 H new ATOM 1113 N GLY A 69 12.465 1.324 -0.934 1.00 0.00 N ATOM 1114 CA GLY A 69 13.586 2.128 -0.476 1.00 0.00 C ATOM 1115 C GLY A 69 13.172 3.589 -0.289 1.00 0.00 C ATOM 1116 O GLY A 69 14.022 4.476 -0.225 1.00 0.00 O ATOM 0 H GLY A 69 12.309 0.468 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.963 1.730 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.401 2.067 -1.197 1.00 0.00 H new ATOM 1120 N VAL A 70 11.866 3.795 -0.207 1.00 0.00 N ATOM 1121 CA VAL A 70 11.329 5.134 -0.029 1.00 0.00 C ATOM 1122 C VAL A 70 10.174 5.086 0.974 1.00 0.00 C ATOM 1123 O VAL A 70 9.697 4.008 1.325 1.00 0.00 O ATOM 1124 CB VAL A 70 10.922 5.719 -1.382 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.082 5.657 -2.378 1.00 0.00 C ATOM 1126 CG2 VAL A 70 9.685 5.009 -1.937 1.00 0.00 C ATOM 0 H VAL A 70 11.164 3.057 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 70 12.089 5.799 0.381 1.00 0.00 H new ATOM 0 HB VAL A 70 10.667 6.768 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.766 6.079 -3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.925 6.228 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.382 4.619 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.417 5.444 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.901 3.949 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.854 5.128 -1.241 1.00 0.00 H new ATOM 1136 N ARG A 71 9.757 6.267 1.405 1.00 0.00 N ATOM 1137 CA ARG A 71 8.667 6.374 2.360 1.00 0.00 C ATOM 1138 C ARG A 71 7.471 5.541 1.895 1.00 0.00 C ATOM 1139 O ARG A 71 7.124 5.552 0.715 1.00 0.00 O ATOM 1140 CB ARG A 71 8.229 7.829 2.535 1.00 0.00 C ATOM 1141 CG ARG A 71 9.288 8.633 3.292 1.00 0.00 C ATOM 1142 CD ARG A 71 8.639 9.705 4.170 1.00 0.00 C ATOM 1143 NE ARG A 71 9.260 9.704 5.513 1.00 0.00 N ATOM 1144 CZ ARG A 71 8.874 10.499 6.520 1.00 0.00 C ATOM 1145 NH1 ARG A 71 7.867 11.365 6.342 1.00 0.00 N ATOM 1146 NH2 ARG A 71 9.496 10.429 7.705 1.00 0.00 N ATOM 0 H ARG A 71 10.155 7.159 1.110 1.00 0.00 H new ATOM 0 HA ARG A 71 9.027 5.997 3.318 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.054 8.280 1.558 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.284 7.865 3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.885 7.963 3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.969 9.103 2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.755 10.685 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.569 9.518 4.255 1.00 0.00 H new ATOM 0 HE ARG A 71 10.030 9.057 5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.394 11.419 5.440 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.573 11.970 7.109 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.263 9.771 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.202 11.034 8.472 1.00 0.00 H new ATOM 1160 N VAL A 72 6.874 4.838 2.846 1.00 0.00 N ATOM 1161 CA VAL A 72 5.724 4.001 2.549 1.00 0.00 C ATOM 1162 C VAL A 72 4.638 4.241 3.600 1.00 0.00 C ATOM 1163 O VAL A 72 4.912 4.212 4.798 1.00 0.00 O ATOM 1164 CB VAL A 72 6.153 2.536 2.457 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.937 1.608 2.444 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.037 2.299 1.230 1.00 0.00 C ATOM 0 H VAL A 72 7.165 4.831 3.823 1.00 0.00 H new ATOM 0 HA VAL A 72 5.301 4.264 1.579 1.00 0.00 H new ATOM 0 HB VAL A 72 6.742 2.304 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.270 0.572 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.363 1.747 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.309 1.843 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.328 1.249 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.484 2.558 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.930 2.921 1.299 1.00 0.00 H new ATOM 1176 N ASP A 73 3.429 4.474 3.112 1.00 0.00 N ATOM 1177 CA ASP A 73 2.301 4.719 3.994 1.00 0.00 C ATOM 1178 C ASP A 73 1.202 3.693 3.708 1.00 0.00 C ATOM 1179 O ASP A 73 0.560 3.742 2.660 1.00 0.00 O ATOM 1180 CB ASP A 73 1.715 6.114 3.765 1.00 0.00 C ATOM 1181 CG ASP A 73 0.531 6.474 4.665 1.00 0.00 C ATOM 1182 OD1 ASP A 73 -0.268 5.555 4.947 1.00 0.00 O ATOM 1183 OD2 ASP A 73 0.452 7.660 5.050 1.00 0.00 O ATOM 0 H ASP A 73 3.206 4.498 2.117 1.00 0.00 H new ATOM 0 HA ASP A 73 2.655 4.640 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.503 6.852 3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.398 6.192 2.725 1.00 0.00 H new ATOM 1188 N ILE A 74 1.021 2.787 4.658 1.00 0.00 N ATOM 1189 CA ILE A 74 0.012 1.750 4.521 1.00 0.00 C ATOM 1190 C ILE A 74 -1.245 2.164 5.290 1.00 0.00 C ATOM 1191 O ILE A 74 -1.154 2.797 6.340 1.00 0.00 O ATOM 1192 CB ILE A 74 0.576 0.394 4.949 1.00 0.00 C ATOM 1193 CG1 ILE A 74 1.889 0.092 4.223 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.458 -0.717 4.750 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.425 -1.287 4.610 1.00 0.00 C ATOM 0 H ILE A 74 1.556 2.750 5.526 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.276 1.634 3.476 1.00 0.00 H new ATOM 0 HB ILE A 74 0.801 0.438 6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.731 0.135 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.628 0.855 4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.032 -1.671 5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.343 -0.502 5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.736 -0.771 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.358 -1.476 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.605 -1.319 5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.694 -2.050 4.342 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.388 1.789 4.736 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.662 2.113 5.356 1.00 0.00 C ATOM 1209 C VAL A 75 -4.539 0.860 5.393 1.00 0.00 C ATOM 1210 O VAL A 75 -4.581 0.098 4.428 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.320 3.282 4.620 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.796 3.409 5.002 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.570 4.589 4.886 1.00 0.00 C ATOM 0 H VAL A 75 -2.459 1.264 3.864 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.514 2.437 6.386 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.267 3.077 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.240 4.247 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.320 2.491 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.881 3.580 6.075 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.058 5.404 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.577 4.801 5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.540 4.494 4.541 1.00 0.00 H new ATOM 1223 N SER A 76 -5.219 0.686 6.516 1.00 0.00 N ATOM 1224 CA SER A 76 -6.093 -0.462 6.692 1.00 0.00 C ATOM 1225 C SER A 76 -7.547 -0.054 6.446 1.00 0.00 C ATOM 1226 O SER A 76 -8.072 0.829 7.123 1.00 0.00 O ATOM 1227 CB SER A 76 -5.940 -1.062 8.091 1.00 0.00 C ATOM 1228 OG SER A 76 -6.213 -0.109 9.114 1.00 0.00 O ATOM 0 H SER A 76 -5.183 1.321 7.314 1.00 0.00 H new ATOM 0 HA SER A 76 -5.807 -1.224 5.967 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.615 -1.911 8.197 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.926 -1.444 8.213 1.00 0.00 H new ATOM 0 HG SER A 76 -6.106 -0.532 9.992 1.00 0.00 H new ATOM 1234 N GLU A 77 -8.158 -0.717 5.475 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.541 -0.435 5.131 1.00 0.00 C ATOM 1236 C GLU A 77 -10.370 -0.220 6.399 1.00 0.00 C ATOM 1237 O GLU A 77 -11.347 0.528 6.387 1.00 0.00 O ATOM 1238 CB GLU A 77 -10.132 -1.555 4.272 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.665 -1.438 2.820 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.369 -2.467 1.933 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -11.400 -3.002 2.393 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -9.860 -2.694 0.814 1.00 0.00 O ATOM 0 H GLU A 77 -7.720 -1.449 4.916 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.569 0.482 4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.835 -2.523 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.220 -1.513 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.868 -0.433 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.586 -1.585 2.768 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.951 -0.890 7.462 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.643 -0.782 8.735 1.00 0.00 C ATOM 1251 C ARG A 78 -10.554 0.650 9.267 1.00 0.00 C ATOM 1252 O ARG A 78 -11.573 1.263 9.581 1.00 0.00 O ATOM 1253 CB ARG A 78 -10.047 -1.741 9.769 1.00 0.00 C ATOM 1254 CG ARG A 78 -11.146 -2.534 10.478 1.00 0.00 C ATOM 1255 CD ARG A 78 -11.134 -2.261 11.984 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.659 -3.437 12.715 1.00 0.00 N ATOM 1257 CZ ARG A 78 -12.947 -3.804 12.721 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -13.850 -3.091 12.034 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -13.333 -4.885 13.412 1.00 0.00 N ATOM 0 H ARG A 78 -9.141 -1.510 7.468 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.687 -1.048 8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.357 -2.428 9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.469 -1.178 10.502 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.118 -2.266 10.064 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.005 -3.600 10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.119 -2.041 12.314 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.740 -1.383 12.208 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.998 -4.003 13.247 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.556 -2.269 11.507 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.831 -3.370 12.039 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.646 -5.429 13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.314 -5.164 13.416 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.326 1.141 9.353 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.092 2.489 9.841 1.00 0.00 C ATOM 1275 C GLY A 79 -9.663 3.529 8.876 1.00 0.00 C ATOM 1276 O GLY A 79 -9.967 4.652 9.276 1.00 0.00 O ATOM 0 H GLY A 79 -8.483 0.629 9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.550 2.609 10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.022 2.653 9.967 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.793 3.119 7.623 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.323 4.001 6.597 1.00 0.00 C ATOM 1282 C LEU A 80 -11.761 4.384 6.953 1.00 0.00 C ATOM 1283 O LEU A 80 -12.272 3.986 7.998 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.181 3.362 5.215 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.114 3.968 4.301 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.126 3.300 2.925 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.276 5.487 4.202 1.00 0.00 C ATOM 0 H LEU A 80 -9.540 2.187 7.295 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.747 4.926 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.958 2.303 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.144 3.424 4.707 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.136 3.776 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.358 3.750 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.926 2.234 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.103 3.439 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.505 5.893 3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.259 5.722 3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.179 5.929 5.194 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.372 5.153 6.064 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.740 5.595 6.271 1.00 0.00 C ATOM 1301 C ALA A 81 -14.658 4.883 5.275 1.00 0.00 C ATOM 1302 O ALA A 81 -14.185 4.275 4.316 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.811 7.118 6.144 1.00 0.00 C ATOM 0 H ALA A 81 -11.944 5.481 5.198 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.078 5.336 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.838 7.449 6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.165 7.576 6.893 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.481 7.416 5.149 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.987 4.985 5.543 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.975 4.359 4.680 1.00 0.00 C ATOM 1311 C PRO A 82 -17.141 5.144 3.377 1.00 0.00 C ATOM 1312 O PRO A 82 -17.180 4.558 2.296 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.247 4.309 5.511 1.00 0.00 C ATOM 1314 CG PRO A 82 -18.055 5.322 6.628 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.583 5.698 6.669 1.00 0.00 C ATOM 0 HA PRO A 82 -16.683 3.358 4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.119 4.556 4.905 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.411 3.310 5.914 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.670 6.205 6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.368 4.901 7.583 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.447 6.775 6.573 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.125 5.402 7.613 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.236 6.457 3.523 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.398 7.328 2.371 1.00 0.00 C ATOM 1325 C ARG A 83 -16.052 7.546 1.677 1.00 0.00 C ATOM 1326 O ARG A 83 -16.006 7.844 0.485 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.978 8.683 2.782 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.964 9.488 3.597 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.595 10.769 4.146 1.00 0.00 C ATOM 1330 NE ARG A 83 -17.355 11.892 3.212 1.00 0.00 N ATOM 1331 CZ ARG A 83 -17.818 13.136 3.398 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -18.549 13.423 4.483 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -17.551 14.091 2.497 1.00 0.00 N ATOM 0 H ARG A 83 -17.204 6.939 4.421 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.091 6.843 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.264 9.245 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.884 8.532 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.590 8.880 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.107 9.739 2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.666 10.625 4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.173 11.002 5.124 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.803 11.708 2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.753 12.695 5.168 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.901 14.370 4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.996 13.871 1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.903 15.038 2.638 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.990 7.388 2.453 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.647 7.564 1.928 1.00 0.00 C ATOM 1349 C LEU A 84 -13.195 6.269 1.250 1.00 0.00 C ATOM 1350 O LEU A 84 -12.698 6.293 0.126 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.699 8.044 3.029 1.00 0.00 C ATOM 1352 CG LEU A 84 -12.879 9.494 3.483 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -11.787 9.898 4.476 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -12.941 10.441 2.283 1.00 0.00 C ATOM 0 H LEU A 84 -15.032 7.140 3.441 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.636 8.344 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.822 7.395 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.674 7.918 2.679 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.833 9.572 4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.939 10.933 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.833 9.250 5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.810 9.799 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.069 11.465 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.015 10.366 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -13.783 10.167 1.647 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.385 5.168 1.963 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.003 3.866 1.445 1.00 0.00 C ATOM 1368 C ARG A 85 -13.600 3.653 0.052 1.00 0.00 C ATOM 1369 O ARG A 85 -12.890 3.280 -0.881 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.476 2.744 2.371 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.258 1.373 1.728 1.00 0.00 C ATOM 1372 CD ARG A 85 -13.832 0.258 2.605 1.00 0.00 C ATOM 1373 NE ARG A 85 -13.708 -1.045 1.914 1.00 0.00 N ATOM 1374 CZ ARG A 85 -14.237 -2.189 2.367 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -14.930 -2.199 3.514 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -14.074 -3.324 1.673 1.00 0.00 N ATOM 0 H ARG A 85 -13.799 5.152 2.895 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.915 3.839 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.936 2.796 3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.533 2.878 2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.731 1.348 0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.192 1.206 1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.304 0.225 3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.879 0.462 2.828 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.187 -1.074 1.038 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.055 -1.335 4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.333 -3.070 3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.547 -3.317 0.800 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.477 -4.195 2.018 1.00 0.00 H new ATOM 1390 N GLU A 86 -14.898 3.900 -0.045 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.598 3.741 -1.308 1.00 0.00 C ATOM 1392 C GLU A 86 -14.896 4.539 -2.408 1.00 0.00 C ATOM 1393 O GLU A 86 -14.780 4.073 -3.541 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.064 4.157 -1.179 1.00 0.00 C ATOM 1395 CG GLU A 86 -17.874 3.092 -0.437 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.308 3.025 -0.967 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.505 2.323 -1.983 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.174 3.676 -0.345 1.00 0.00 O ATOM 0 H GLU A 86 -15.483 4.209 0.731 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.577 2.686 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.131 5.106 -0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.489 4.317 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.394 2.120 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.887 3.317 0.629 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.447 5.729 -2.037 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.759 6.596 -2.978 1.00 0.00 C ATOM 1407 C GLN A 87 -12.368 6.043 -3.292 1.00 0.00 C ATOM 1408 O GLN A 87 -11.892 6.152 -4.421 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.673 8.027 -2.443 1.00 0.00 C ATOM 1410 CG GLN A 87 -14.889 8.849 -2.875 1.00 0.00 C ATOM 1411 CD GLN A 87 -14.526 10.328 -3.024 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.411 11.065 -2.059 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -14.354 10.719 -4.283 1.00 0.00 N ATOM 0 H GLN A 87 -14.546 6.113 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.334 6.623 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.610 8.009 -1.355 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.761 8.501 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.273 8.468 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.687 8.739 -2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.466 10.050 -5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.110 11.688 -4.487 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.754 5.461 -2.272 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.426 4.891 -2.424 1.00 0.00 C ATOM 1424 C VAL A 88 -10.494 3.702 -3.384 1.00 0.00 C ATOM 1425 O VAL A 88 -9.641 3.556 -4.258 1.00 0.00 O ATOM 1426 CB VAL A 88 -9.855 4.521 -1.054 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.596 3.664 -1.198 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.574 5.773 -0.221 1.00 0.00 C ATOM 0 H VAL A 88 -12.152 5.372 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.744 5.622 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.604 3.930 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.210 3.415 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.840 2.747 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.840 4.219 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.169 5.482 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.852 6.402 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.500 6.328 -0.075 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.517 2.882 -3.189 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.707 1.710 -4.027 1.00 0.00 C ATOM 1440 C LEU A 89 -11.762 2.141 -5.494 1.00 0.00 C ATOM 1441 O LEU A 89 -11.106 1.542 -6.345 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.935 0.920 -3.572 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.887 0.368 -2.145 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.050 -0.592 -1.889 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.533 -0.280 -1.853 1.00 0.00 C ATOM 0 H LEU A 89 -12.223 3.006 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.863 1.028 -3.926 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.810 1.563 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.081 0.086 -4.258 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.000 1.202 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.992 -0.970 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.994 -0.065 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.994 -1.426 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.526 -0.664 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.364 -1.100 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.742 0.462 -1.967 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.550 3.176 -5.744 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.699 3.694 -7.094 1.00 0.00 C ATOM 1459 C ARG A 90 -11.328 3.998 -7.700 1.00 0.00 C ATOM 1460 O ARG A 90 -11.176 4.021 -8.921 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.548 4.967 -7.105 1.00 0.00 C ATOM 1462 CG ARG A 90 -15.039 4.632 -7.158 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.845 5.570 -6.258 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.858 6.294 -7.058 1.00 0.00 N ATOM 1465 CZ ARG A 90 -17.935 5.715 -7.607 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -18.146 4.402 -7.446 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -18.801 6.451 -8.318 1.00 0.00 N ATOM 0 H ARG A 90 -13.092 3.670 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.201 2.931 -7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.336 5.557 -6.214 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.279 5.580 -7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.397 4.711 -8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.195 3.600 -6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.334 4.999 -5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.178 6.281 -5.771 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.729 7.296 -7.200 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.487 3.842 -6.905 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.966 3.962 -7.864 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.640 7.451 -8.441 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.621 6.011 -8.736 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.364 4.223 -6.820 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.010 4.524 -7.253 1.00 0.00 C ATOM 1483 C GLU A 91 -8.132 3.275 -7.161 1.00 0.00 C ATOM 1484 O GLU A 91 -7.385 2.967 -8.088 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.416 5.674 -6.436 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.083 7.003 -6.795 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.256 7.771 -7.828 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -7.913 7.148 -8.856 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -7.984 8.962 -7.566 1.00 0.00 O ATOM 0 H GLU A 91 -10.494 4.203 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.045 4.842 -8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.545 5.474 -5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.344 5.740 -6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.082 6.818 -7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.202 7.608 -5.896 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.253 2.588 -6.034 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.479 1.379 -5.808 1.00 0.00 C ATOM 1498 C ALA A 92 -7.430 0.562 -7.100 1.00 0.00 C ATOM 1499 O ALA A 92 -8.440 0.418 -7.787 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.088 0.594 -4.644 1.00 0.00 C ATOM 0 H ALA A 92 -8.875 2.846 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.453 1.625 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.508 -0.313 -4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.073 1.208 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.117 0.327 -4.884 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.245 0.047 -7.392 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.050 -0.752 -8.590 1.00 0.00 C ATOM 1508 C ILE A 93 -5.239 -2.001 -8.239 1.00 0.00 C ATOM 1509 O ILE A 93 -4.117 -1.898 -7.746 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.427 0.093 -9.703 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.089 0.686 -9.257 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.401 1.171 -10.183 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -2.917 -0.067 -9.891 1.00 0.00 C ATOM 0 H ILE A 93 -5.410 0.167 -6.819 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.009 -1.093 -8.980 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.223 -0.558 -10.553 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.043 1.739 -9.536 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.011 0.640 -8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -5.934 1.757 -10.974 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.305 0.699 -10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.659 1.825 -9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.978 0.375 -9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.952 -1.114 -9.591 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.985 0.002 -10.977 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.855 -3.182 -8.513 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.202 -4.449 -8.231 1.00 0.00 C ATOM 1527 C PRO A 94 -4.106 -4.742 -9.259 1.00 0.00 C ATOM 1528 O PRO A 94 -4.395 -4.957 -10.435 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.320 -5.479 -8.246 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.476 -4.830 -8.989 1.00 0.00 C ATOM 1531 CD PRO A 94 -7.183 -3.342 -9.097 1.00 0.00 C ATOM 0 HA PRO A 94 -4.687 -4.452 -7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -6.001 -6.394 -8.744 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.612 -5.753 -7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.588 -5.270 -9.980 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.413 -4.997 -8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.202 -3.009 -10.135 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.926 -2.752 -8.560 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.872 -4.741 -8.776 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.732 -5.004 -9.638 1.00 0.00 C ATOM 1541 C LEU A 95 -1.758 -6.469 -10.079 1.00 0.00 C ATOM 1542 O LEU A 95 -1.168 -6.824 -11.098 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.431 -4.593 -8.945 1.00 0.00 C ATOM 1544 CG LEU A 95 0.859 -5.126 -9.571 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.836 -3.987 -9.869 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.490 -6.206 -8.690 1.00 0.00 C ATOM 0 H LEU A 95 -2.637 -4.562 -7.800 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.790 -4.398 -10.542 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.380 -3.504 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.473 -4.927 -7.908 1.00 0.00 H new ATOM 0 HG LEU A 95 0.609 -5.593 -10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.744 -4.394 -10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.375 -3.285 -10.564 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.085 -3.470 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.406 -6.568 -9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.724 -5.787 -7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.791 -7.034 -8.572 1.00 0.00 H new