USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 840 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 9 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 15 GLN : amide:sc= 1.24 K(o=1.2,f=-0.7) USER MOD Single : A 18 GLN : amide:sc= -0.195 X(o=-0.19,f=-0.44) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 85:sc= 1.24 USER MOD Single : A 34 GLN : amide:sc=-0.00766 K(o=-0.0077,f=-0.97) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= 1.18 (180deg=0.58) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.571 K(o=0.57,f=-0.86) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.5!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 73 GLN : amide:sc= -0.161 K(o=-0.16,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ -123:sc= 0.932 (180deg=0.746) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 1.07 (180deg=1.02) USER MOD Single : A 86 SER OG : rot 54:sc= 1.16 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 96 GLN : amide:sc= 0.621 K(o=0.62,f=-0.61) USER MOD Single : A 99 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.66) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= -0.0533 (180deg=-0.317) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 11.071 3.187 12.932 1.00 0.00 N ATOM 65 CA LYS A 5 11.144 2.348 11.743 1.00 0.00 C ATOM 66 C LYS A 5 9.798 2.341 11.026 1.00 0.00 C ATOM 67 O LYS A 5 9.731 2.431 9.798 1.00 0.00 O ATOM 68 CB LYS A 5 11.556 0.916 12.110 1.00 0.00 C ATOM 69 CG LYS A 5 12.954 0.810 12.705 1.00 0.00 C ATOM 70 CD LYS A 5 13.338 -0.636 13.007 1.00 0.00 C ATOM 71 CE LYS A 5 12.439 -1.255 14.071 1.00 0.00 C ATOM 72 NZ LYS A 5 12.862 -2.636 14.418 1.00 0.00 N ATOM 0 HA LYS A 5 11.901 2.761 11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.837 0.513 12.823 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.503 0.293 11.217 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.677 1.240 12.012 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.003 1.397 13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.277 -1.226 12.093 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.375 -0.674 13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.456 -0.634 14.967 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.410 -1.270 13.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.226 -3.022 15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.822 -3.235 13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.835 -2.619 14.784 1.00 0.00 H new ATOM 86 N LEU A 6 8.727 2.256 11.804 1.00 0.00 N ATOM 87 CA LEU A 6 7.379 2.267 11.258 1.00 0.00 C ATOM 88 C LEU A 6 7.005 3.669 10.787 1.00 0.00 C ATOM 89 O LEU A 6 6.334 3.832 9.775 1.00 0.00 O ATOM 90 CB LEU A 6 6.367 1.767 12.295 1.00 0.00 C ATOM 91 CG LEU A 6 6.550 0.318 12.765 1.00 0.00 C ATOM 92 CD1 LEU A 6 5.516 -0.036 13.821 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.457 -0.645 11.590 1.00 0.00 C ATOM 0 H LEU A 6 8.768 2.178 12.820 1.00 0.00 H new ATOM 0 HA LEU A 6 7.354 1.593 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.416 2.420 13.166 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.366 1.869 11.876 1.00 0.00 H new ATOM 0 HG LEU A 6 7.542 0.227 13.207 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.662 -1.067 14.142 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.628 0.630 14.677 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.516 0.076 13.403 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.590 -1.667 11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.479 -0.549 11.118 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.235 -0.410 10.864 1.00 0.00 H new ATOM 105 N ARG A 7 7.458 4.680 11.526 1.00 0.00 N ATOM 106 CA ARG A 7 7.177 6.072 11.182 1.00 0.00 C ATOM 107 C ARG A 7 7.796 6.445 9.844 1.00 0.00 C ATOM 108 O ARG A 7 7.130 7.034 8.989 1.00 0.00 O ATOM 109 CB ARG A 7 7.692 7.020 12.268 1.00 0.00 C ATOM 110 CG ARG A 7 6.827 7.077 13.518 1.00 0.00 C ATOM 111 CD ARG A 7 5.447 7.638 13.209 1.00 0.00 C ATOM 112 NE ARG A 7 4.692 7.937 14.423 1.00 0.00 N ATOM 113 CZ ARG A 7 3.485 8.512 14.441 1.00 0.00 C ATOM 114 NH1 ARG A 7 2.887 8.864 13.307 1.00 0.00 N ATOM 115 NH2 ARG A 7 2.886 8.744 15.599 1.00 0.00 N ATOM 0 H ARG A 7 8.022 4.561 12.368 1.00 0.00 H new ATOM 0 HA ARG A 7 6.094 6.174 11.107 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.699 6.714 12.552 1.00 0.00 H new ATOM 0 HB3 ARG A 7 7.770 8.023 11.849 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.729 6.077 13.941 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.313 7.696 14.272 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.550 8.545 12.614 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.892 6.921 12.604 1.00 0.00 H new ATOM 0 HE ARG A 7 5.114 7.690 15.318 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.349 8.696 12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.966 9.302 13.331 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.345 8.484 16.472 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.965 9.182 15.618 1.00 0.00 H new ATOM 129 N GLN A 8 9.063 6.088 9.657 1.00 0.00 N ATOM 130 CA GLN A 8 9.756 6.402 8.419 1.00 0.00 C ATOM 131 C GLN A 8 9.125 5.670 7.251 1.00 0.00 C ATOM 132 O GLN A 8 8.869 6.260 6.210 1.00 0.00 O ATOM 133 CB GLN A 8 11.236 6.030 8.508 1.00 0.00 C ATOM 134 CG GLN A 8 12.017 6.364 7.242 1.00 0.00 C ATOM 135 CD GLN A 8 13.405 5.767 7.229 1.00 0.00 C ATOM 136 OE1 GLN A 8 14.026 5.574 8.272 1.00 0.00 O ATOM 137 NE2 GLN A 8 13.907 5.474 6.044 1.00 0.00 N ATOM 0 H GLN A 8 9.625 5.585 10.344 1.00 0.00 H new ATOM 0 HA GLN A 8 9.670 7.477 8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.685 6.553 9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.324 4.963 8.710 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.464 6.003 6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.092 7.447 7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.360 5.649 5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.842 5.072 5.971 1.00 0.00 H new ATOM 146 N THR A 9 8.850 4.390 7.441 1.00 0.00 N ATOM 147 CA THR A 9 8.273 3.579 6.387 1.00 0.00 C ATOM 148 C THR A 9 6.840 4.016 6.079 1.00 0.00 C ATOM 149 O THR A 9 6.420 4.028 4.924 1.00 0.00 O ATOM 150 CB THR A 9 8.310 2.087 6.756 1.00 0.00 C ATOM 151 OG1 THR A 9 9.645 1.735 7.151 1.00 0.00 O ATOM 152 CG2 THR A 9 7.898 1.225 5.571 1.00 0.00 C ATOM 0 H THR A 9 9.018 3.892 8.315 1.00 0.00 H new ATOM 0 HA THR A 9 8.876 3.726 5.491 1.00 0.00 H new ATOM 0 HB THR A 9 7.611 1.912 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.754 1.892 8.112 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.932 0.174 5.857 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.884 1.486 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.582 1.398 4.740 1.00 0.00 H new ATOM 160 N GLY A 10 6.101 4.398 7.117 1.00 0.00 N ATOM 161 CA GLY A 10 4.750 4.878 6.926 1.00 0.00 C ATOM 162 C GLY A 10 4.724 6.127 6.074 1.00 0.00 C ATOM 163 O GLY A 10 3.908 6.254 5.166 1.00 0.00 O ATOM 0 H GLY A 10 6.417 4.382 8.087 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.149 4.101 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.296 5.087 7.895 1.00 0.00 H new ATOM 167 N ASP A 11 5.633 7.047 6.364 1.00 0.00 N ATOM 168 CA ASP A 11 5.749 8.284 5.595 1.00 0.00 C ATOM 169 C ASP A 11 6.278 7.982 4.200 1.00 0.00 C ATOM 170 O ASP A 11 5.841 8.572 3.210 1.00 0.00 O ATOM 171 CB ASP A 11 6.683 9.266 6.305 1.00 0.00 C ATOM 172 CG ASP A 11 6.771 10.598 5.594 1.00 0.00 C ATOM 173 OD1 ASP A 11 5.930 11.474 5.869 1.00 0.00 O ATOM 174 OD2 ASP A 11 7.682 10.777 4.760 1.00 0.00 O1- ATOM 0 H ASP A 11 6.304 6.962 7.128 1.00 0.00 H new ATOM 0 HA ASP A 11 4.761 8.737 5.512 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.331 9.424 7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.679 8.829 6.376 1.00 0.00 H new ATOM 179 N GLU A 12 7.206 7.040 4.141 1.00 0.00 N ATOM 180 CA GLU A 12 7.824 6.606 2.895 1.00 0.00 C ATOM 181 C GLU A 12 6.764 6.041 1.947 1.00 0.00 C ATOM 182 O GLU A 12 6.811 6.272 0.729 1.00 0.00 O ATOM 183 CB GLU A 12 8.887 5.555 3.214 1.00 0.00 C ATOM 184 CG GLU A 12 9.740 5.120 2.047 1.00 0.00 C ATOM 185 CD GLU A 12 10.846 4.187 2.489 1.00 0.00 C ATOM 186 OE1 GLU A 12 10.552 3.024 2.811 1.00 0.00 O ATOM 187 OE2 GLU A 12 12.015 4.617 2.529 1.00 0.00 O1- ATOM 0 H GLU A 12 7.556 6.550 4.964 1.00 0.00 H new ATOM 0 HA GLU A 12 8.295 7.454 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.540 5.949 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.392 4.676 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.117 4.622 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.172 5.996 1.564 1.00 0.00 H new ATOM 194 N LEU A 13 5.805 5.308 2.513 1.00 0.00 N ATOM 195 CA LEU A 13 4.691 4.771 1.747 1.00 0.00 C ATOM 196 C LEU A 13 3.856 5.902 1.174 1.00 0.00 C ATOM 197 O LEU A 13 3.491 5.881 0.003 1.00 0.00 O ATOM 198 CB LEU A 13 3.804 3.875 2.625 1.00 0.00 C ATOM 199 CG LEU A 13 4.383 2.509 2.999 1.00 0.00 C ATOM 200 CD1 LEU A 13 3.476 1.805 3.990 1.00 0.00 C ATOM 201 CD2 LEU A 13 4.559 1.652 1.759 1.00 0.00 C ATOM 0 H LEU A 13 5.782 5.074 3.506 1.00 0.00 H new ATOM 0 HA LEU A 13 5.099 4.171 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.577 4.414 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.858 3.716 2.107 1.00 0.00 H new ATOM 0 HG LEU A 13 5.358 2.663 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.901 0.835 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.383 2.410 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.491 1.663 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.972 0.684 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.592 1.508 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.239 2.148 1.067 1.00 0.00 H new ATOM 213 N VAL A 14 3.587 6.904 2.001 1.00 0.00 N ATOM 214 CA VAL A 14 2.784 8.049 1.589 1.00 0.00 C ATOM 215 C VAL A 14 3.415 8.743 0.386 1.00 0.00 C ATOM 216 O VAL A 14 2.722 9.117 -0.555 1.00 0.00 O ATOM 217 CB VAL A 14 2.608 9.064 2.746 1.00 0.00 C ATOM 218 CG1 VAL A 14 1.840 10.294 2.282 1.00 0.00 C ATOM 219 CG2 VAL A 14 1.898 8.411 3.922 1.00 0.00 C ATOM 0 H VAL A 14 3.915 6.947 2.966 1.00 0.00 H new ATOM 0 HA VAL A 14 1.800 7.673 1.310 1.00 0.00 H new ATOM 0 HB VAL A 14 3.599 9.384 3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.731 10.990 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.385 10.779 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.854 9.995 1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.782 9.138 4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.916 8.061 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.487 7.566 4.279 1.00 0.00 H new ATOM 229 N GLN A 15 4.736 8.867 0.407 1.00 0.00 N ATOM 230 CA GLN A 15 5.464 9.507 -0.683 1.00 0.00 C ATOM 231 C GLN A 15 5.254 8.743 -1.990 1.00 0.00 C ATOM 232 O GLN A 15 4.992 9.339 -3.034 1.00 0.00 O ATOM 233 CB GLN A 15 6.956 9.566 -0.358 1.00 0.00 C ATOM 234 CG GLN A 15 7.285 10.305 0.928 1.00 0.00 C ATOM 235 CD GLN A 15 8.765 10.275 1.245 1.00 0.00 C ATOM 236 OE1 GLN A 15 9.603 10.229 0.346 1.00 0.00 O ATOM 237 NE2 GLN A 15 9.098 10.301 2.516 1.00 0.00 N ATOM 0 H GLN A 15 5.327 8.532 1.168 1.00 0.00 H new ATOM 0 HA GLN A 15 5.081 10.521 -0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.342 8.549 -0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.478 10.048 -1.185 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.954 11.340 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.730 9.859 1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.373 10.339 3.232 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.081 10.283 2.786 1.00 0.00 H new ATOM 246 N ALA A 16 5.347 7.421 -1.917 1.00 0.00 N ATOM 247 CA ALA A 16 5.173 6.578 -3.090 1.00 0.00 C ATOM 248 C ALA A 16 3.725 6.599 -3.575 1.00 0.00 C ATOM 249 O ALA A 16 3.461 6.678 -4.774 1.00 0.00 O ATOM 250 CB ALA A 16 5.618 5.159 -2.791 1.00 0.00 C ATOM 0 H ALA A 16 5.542 6.910 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 16 5.797 6.977 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.482 4.540 -3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.670 5.160 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.022 4.756 -1.972 1.00 0.00 H new ATOM 256 N PHE A 17 2.789 6.539 -2.637 1.00 0.00 N ATOM 257 CA PHE A 17 1.372 6.583 -2.969 1.00 0.00 C ATOM 258 C PHE A 17 0.990 7.913 -3.619 1.00 0.00 C ATOM 259 O PHE A 17 0.155 7.947 -4.525 1.00 0.00 O ATOM 260 CB PHE A 17 0.494 6.270 -1.752 1.00 0.00 C ATOM 261 CG PHE A 17 0.352 4.787 -1.490 1.00 0.00 C ATOM 262 CD1 PHE A 17 1.272 4.108 -0.706 1.00 0.00 C ATOM 263 CD2 PHE A 17 -0.704 4.074 -2.038 1.00 0.00 C ATOM 264 CE1 PHE A 17 1.142 2.750 -0.474 1.00 0.00 C ATOM 265 CE2 PHE A 17 -0.836 2.717 -1.808 1.00 0.00 C ATOM 266 CZ PHE A 17 0.089 2.057 -1.025 1.00 0.00 C ATOM 0 H PHE A 17 2.986 6.460 -1.639 1.00 0.00 H new ATOM 0 HA PHE A 17 1.186 5.800 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.920 6.750 -0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.495 6.703 -1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.101 4.646 -0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.432 4.585 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.867 2.235 0.139 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.663 2.174 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.014 0.997 -0.845 1.00 0.00 H new ATOM 276 N GLN A 18 1.595 9.009 -3.155 1.00 0.00 N ATOM 277 CA GLN A 18 1.355 10.319 -3.755 1.00 0.00 C ATOM 278 C GLN A 18 1.781 10.308 -5.218 1.00 0.00 C ATOM 279 O GLN A 18 1.118 10.897 -6.073 1.00 0.00 O ATOM 280 CB GLN A 18 2.112 11.415 -3.001 1.00 0.00 C ATOM 281 CG GLN A 18 1.559 11.715 -1.617 1.00 0.00 C ATOM 282 CD GLN A 18 0.118 12.180 -1.653 1.00 0.00 C ATOM 283 OE1 GLN A 18 -0.808 11.375 -1.573 1.00 0.00 O ATOM 284 NE2 GLN A 18 -0.081 13.475 -1.772 1.00 0.00 N ATOM 0 H GLN A 18 2.249 9.014 -2.372 1.00 0.00 H new ATOM 0 HA GLN A 18 0.288 10.533 -3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.157 11.120 -2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.091 12.329 -3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.633 10.820 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.172 12.481 -1.143 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.715 14.110 -1.835 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.031 13.844 -1.801 1.00 0.00 H new ATOM 293 N ARG A 19 2.885 9.616 -5.501 1.00 0.00 N ATOM 294 CA ARG A 19 3.384 9.476 -6.867 1.00 0.00 C ATOM 295 C ARG A 19 2.362 8.730 -7.710 1.00 0.00 C ATOM 296 O ARG A 19 2.105 9.087 -8.858 1.00 0.00 O ATOM 297 CB ARG A 19 4.716 8.720 -6.882 1.00 0.00 C ATOM 298 CG ARG A 19 5.816 9.388 -6.078 1.00 0.00 C ATOM 299 CD ARG A 19 7.068 8.528 -6.021 1.00 0.00 C ATOM 300 NE ARG A 19 8.111 9.151 -5.208 1.00 0.00 N ATOM 301 CZ ARG A 19 9.210 8.533 -4.768 1.00 0.00 C ATOM 302 NH1 ARG A 19 9.401 7.236 -5.000 1.00 0.00 N ATOM 303 NH2 ARG A 19 10.108 9.212 -4.068 1.00 0.00 N ATOM 0 H ARG A 19 3.452 9.142 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 19 3.545 10.471 -7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.555 7.715 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.049 8.613 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.057 10.354 -6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.461 9.582 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.820 7.550 -5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.443 8.363 -7.031 1.00 0.00 H new ATOM 0 HE ARG A 19 7.990 10.132 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.704 6.703 -5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.245 6.776 -4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.957 10.201 -3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.949 8.746 -3.729 1.00 0.00 H new ATOM 317 N LEU A 20 1.766 7.704 -7.112 1.00 0.00 N ATOM 318 CA LEU A 20 0.743 6.901 -7.769 1.00 0.00 C ATOM 319 C LEU A 20 -0.449 7.782 -8.139 1.00 0.00 C ATOM 320 O LEU A 20 -0.960 7.722 -9.254 1.00 0.00 O ATOM 321 CB LEU A 20 0.282 5.771 -6.834 1.00 0.00 C ATOM 322 CG LEU A 20 -0.683 4.743 -7.433 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.035 3.847 -8.427 1.00 0.00 C ATOM 324 CD2 LEU A 20 -1.329 3.912 -6.334 1.00 0.00 C ATOM 0 H LEU A 20 1.979 7.407 -6.160 1.00 0.00 H new ATOM 0 HA LEU A 20 1.163 6.465 -8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.165 5.242 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.195 6.221 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.468 5.281 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.669 3.125 -8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.447 4.454 -9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.843 3.318 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.011 3.187 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.556 3.386 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.883 4.566 -5.661 1.00 0.00 H new ATOM 336 N ARG A 21 -0.869 8.614 -7.194 1.00 0.00 N ATOM 337 CA ARG A 21 -1.994 9.515 -7.404 1.00 0.00 C ATOM 338 C ARG A 21 -1.676 10.554 -8.481 1.00 0.00 C ATOM 339 O ARG A 21 -2.492 10.813 -9.371 1.00 0.00 O ATOM 340 CB ARG A 21 -2.364 10.226 -6.098 1.00 0.00 C ATOM 341 CG ARG A 21 -2.886 9.307 -4.997 1.00 0.00 C ATOM 342 CD ARG A 21 -4.133 8.544 -5.434 1.00 0.00 C ATOM 343 NE ARG A 21 -5.161 9.431 -5.984 1.00 0.00 N ATOM 344 CZ ARG A 21 -6.470 9.172 -5.988 1.00 0.00 C ATOM 345 NH1 ARG A 21 -6.949 8.097 -5.367 1.00 0.00 N ATOM 346 NH2 ARG A 21 -7.300 10.007 -6.592 1.00 0.00 N ATOM 0 H ARG A 21 -0.444 8.683 -6.269 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.840 8.914 -7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.486 10.754 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.121 10.980 -6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.107 8.598 -4.716 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.114 9.897 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.858 7.801 -6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.542 8.001 -4.582 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.853 10.312 -6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.314 7.463 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.951 7.907 -5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.938 10.843 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.302 9.815 -6.599 1.00 0.00 H new ATOM 360 N GLU A 22 -0.485 11.137 -8.398 1.00 0.00 N ATOM 361 CA GLU A 22 -0.050 12.147 -9.316 1.00 0.00 C ATOM 362 C GLU A 22 0.018 11.612 -10.749 1.00 0.00 C ATOM 363 O GLU A 22 -0.468 12.249 -11.687 1.00 0.00 O ATOM 364 CB GLU A 22 1.311 12.654 -8.878 1.00 0.00 C ATOM 365 CG GLU A 22 1.855 13.715 -9.767 1.00 0.00 C ATOM 366 CD GLU A 22 3.219 14.190 -9.349 1.00 0.00 C ATOM 367 OE1 GLU A 22 3.299 15.132 -8.546 1.00 0.00 O ATOM 368 OE2 GLU A 22 4.222 13.629 -9.830 1.00 0.00 O1- ATOM 0 H GLU A 22 0.202 10.909 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.773 12.963 -9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.237 13.043 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.011 11.819 -8.850 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.906 13.335 -10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.168 14.562 -9.775 1.00 0.00 H new ATOM 375 N ILE A 23 0.617 10.448 -10.908 1.00 0.00 N ATOM 376 CA ILE A 23 0.750 9.832 -12.214 1.00 0.00 C ATOM 377 C ILE A 23 -0.612 9.413 -12.770 1.00 0.00 C ATOM 378 O ILE A 23 -0.874 9.559 -13.970 1.00 0.00 O ATOM 379 CB ILE A 23 1.717 8.629 -12.177 1.00 0.00 C ATOM 380 CG1 ILE A 23 3.136 9.118 -11.855 1.00 0.00 C ATOM 381 CG2 ILE A 23 1.695 7.878 -13.500 1.00 0.00 C ATOM 382 CD1 ILE A 23 4.159 8.014 -11.744 1.00 0.00 C ATOM 0 H ILE A 23 1.022 9.907 -10.144 1.00 0.00 H new ATOM 0 HA ILE A 23 1.174 10.581 -12.883 1.00 0.00 H new ATOM 0 HB ILE A 23 1.393 7.940 -11.397 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.453 9.815 -12.630 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.113 9.673 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.384 7.035 -13.451 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.687 7.512 -13.694 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.999 8.548 -14.304 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.134 8.443 -11.515 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.869 7.328 -10.948 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.214 7.472 -12.688 1.00 0.00 H new ATOM 394 N PHE A 24 -1.484 8.915 -11.896 1.00 0.00 N ATOM 395 CA PHE A 24 -2.825 8.506 -12.302 1.00 0.00 C ATOM 396 C PHE A 24 -3.589 9.687 -12.886 1.00 0.00 C ATOM 397 O PHE A 24 -4.306 9.544 -13.872 1.00 0.00 O ATOM 398 CB PHE A 24 -3.600 7.917 -11.112 1.00 0.00 C ATOM 399 CG PHE A 24 -5.000 7.475 -11.458 1.00 0.00 C ATOM 400 CD1 PHE A 24 -5.222 6.250 -12.066 1.00 0.00 C ATOM 401 CD2 PHE A 24 -6.090 8.288 -11.178 1.00 0.00 C ATOM 402 CE1 PHE A 24 -6.503 5.843 -12.389 1.00 0.00 C ATOM 403 CE2 PHE A 24 -7.374 7.885 -11.498 1.00 0.00 C ATOM 404 CZ PHE A 24 -7.580 6.661 -12.104 1.00 0.00 C ATOM 0 H PHE A 24 -1.286 8.785 -10.904 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.725 7.736 -13.067 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.047 7.065 -10.716 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.650 8.662 -10.318 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.385 5.606 -12.290 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.934 9.246 -10.705 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.662 4.886 -12.864 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.214 8.526 -11.274 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.581 6.344 -12.355 1.00 0.00 H new ATOM 414 N ASP A 25 -3.412 10.854 -12.277 1.00 0.00 N ATOM 415 CA ASP A 25 -4.083 12.072 -12.730 1.00 0.00 C ATOM 416 C ASP A 25 -3.622 12.463 -14.132 1.00 0.00 C ATOM 417 O ASP A 25 -4.380 13.044 -14.905 1.00 0.00 O ATOM 418 CB ASP A 25 -3.825 13.222 -11.758 1.00 0.00 C ATOM 419 CG ASP A 25 -4.585 14.476 -12.134 1.00 0.00 C ATOM 420 OD1 ASP A 25 -5.779 14.580 -11.781 1.00 0.00 O ATOM 421 OD2 ASP A 25 -3.997 15.366 -12.776 1.00 0.00 O1- ATOM 0 H ASP A 25 -2.808 10.985 -11.466 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.154 11.869 -12.762 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.111 12.915 -10.752 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.757 13.441 -11.733 1.00 0.00 H new ATOM 426 N LYS A 26 -2.379 12.127 -14.454 1.00 0.00 N ATOM 427 CA LYS A 26 -1.820 12.419 -15.759 1.00 0.00 C ATOM 428 C LYS A 26 -2.339 11.412 -16.786 1.00 0.00 C ATOM 429 O LYS A 26 -2.300 11.654 -17.997 1.00 0.00 O ATOM 430 CB LYS A 26 -0.292 12.365 -15.680 1.00 0.00 C ATOM 431 CG LYS A 26 0.411 12.561 -17.004 1.00 0.00 C ATOM 432 CD LYS A 26 1.919 12.493 -16.845 1.00 0.00 C ATOM 433 CE LYS A 26 2.622 12.655 -18.180 1.00 0.00 C ATOM 434 NZ LYS A 26 4.097 12.700 -18.028 1.00 0.00 N ATOM 0 H LYS A 26 -1.738 11.649 -13.821 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.125 13.418 -16.072 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.051 13.131 -14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.004 11.402 -15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.083 11.797 -17.709 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.131 13.526 -17.427 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.250 13.274 -16.160 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.197 11.538 -16.399 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.350 11.828 -18.836 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.279 13.570 -18.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.539 12.811 -18.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.359 13.504 -17.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.428 11.816 -17.592 1.00 0.00 H new ATOM 448 N GLY A 27 -2.844 10.297 -16.289 1.00 0.00 N ATOM 449 CA GLY A 27 -3.398 9.284 -17.149 1.00 0.00 C ATOM 450 C GLY A 27 -2.350 8.403 -17.796 1.00 0.00 C ATOM 451 O GLY A 27 -2.649 7.684 -18.747 1.00 0.00 O ATOM 0 H GLY A 27 -2.879 10.076 -15.294 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.079 8.660 -16.570 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.990 9.764 -17.929 1.00 0.00 H new ATOM 455 N ASP A 28 -1.125 8.445 -17.289 1.00 0.00 N ATOM 456 CA ASP A 28 -0.064 7.620 -17.854 1.00 0.00 C ATOM 457 C ASP A 28 0.014 6.288 -17.133 1.00 0.00 C ATOM 458 O ASP A 28 0.667 6.160 -16.094 1.00 0.00 O ATOM 459 CB ASP A 28 1.293 8.322 -17.825 1.00 0.00 C ATOM 460 CG ASP A 28 2.342 7.545 -18.606 1.00 0.00 C ATOM 461 OD1 ASP A 28 3.161 6.846 -17.986 1.00 0.00 O ATOM 462 OD2 ASP A 28 2.341 7.625 -19.853 1.00 0.00 O1- ATOM 0 H ASP A 28 -0.844 9.030 -16.502 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.315 7.446 -18.900 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.194 9.323 -18.244 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.621 8.440 -16.792 1.00 0.00 H new ATOM 467 N ASP A 29 -0.678 5.310 -17.682 1.00 0.00 N ATOM 468 CA ASP A 29 -0.759 3.972 -17.102 1.00 0.00 C ATOM 469 C ASP A 29 0.611 3.303 -17.038 1.00 0.00 C ATOM 470 O ASP A 29 0.853 2.452 -16.184 1.00 0.00 O ATOM 471 CB ASP A 29 -1.724 3.096 -17.915 1.00 0.00 C ATOM 472 CG ASP A 29 -3.078 3.749 -18.126 1.00 0.00 C ATOM 473 OD1 ASP A 29 -3.992 3.537 -17.301 1.00 0.00 O ATOM 474 OD2 ASP A 29 -3.234 4.488 -19.129 1.00 0.00 O1- ATOM 0 H ASP A 29 -1.206 5.415 -18.549 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.133 4.079 -16.084 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.277 2.875 -18.885 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.861 2.144 -17.403 1.00 0.00 H new ATOM 479 N ASP A 30 1.510 3.694 -17.936 1.00 0.00 N ATOM 480 CA ASP A 30 2.851 3.101 -17.984 1.00 0.00 C ATOM 481 C ASP A 30 3.655 3.436 -16.736 1.00 0.00 C ATOM 482 O ASP A 30 4.192 2.541 -16.079 1.00 0.00 O ATOM 483 CB ASP A 30 3.608 3.549 -19.235 1.00 0.00 C ATOM 484 CG ASP A 30 3.046 2.942 -20.500 1.00 0.00 C ATOM 485 OD1 ASP A 30 3.432 1.804 -20.841 1.00 0.00 O ATOM 486 OD2 ASP A 30 2.218 3.595 -21.164 1.00 0.00 O1- ATOM 0 H ASP A 30 1.340 4.414 -18.638 1.00 0.00 H new ATOM 0 HA ASP A 30 2.722 2.019 -18.025 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.570 4.636 -19.309 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.658 3.273 -19.139 1.00 0.00 H new ATOM 491 N SER A 31 3.720 4.713 -16.395 1.00 0.00 N ATOM 492 CA SER A 31 4.425 5.136 -15.196 1.00 0.00 C ATOM 493 C SER A 31 3.675 4.642 -13.966 1.00 0.00 C ATOM 494 O SER A 31 4.273 4.317 -12.943 1.00 0.00 O ATOM 495 CB SER A 31 4.573 6.659 -15.157 1.00 0.00 C ATOM 496 OG SER A 31 5.160 7.146 -16.348 1.00 0.00 O ATOM 0 H SER A 31 3.295 5.471 -16.929 1.00 0.00 H new ATOM 0 HA SER A 31 5.426 4.705 -15.206 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.595 7.119 -15.016 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.186 6.946 -14.303 1.00 0.00 H new ATOM 0 HG SER A 31 4.465 7.274 -17.027 1.00 0.00 H new ATOM 502 N LEU A 32 2.355 4.568 -14.094 1.00 0.00 N ATOM 503 CA LEU A 32 1.489 4.109 -13.020 1.00 0.00 C ATOM 504 C LEU A 32 1.833 2.666 -12.645 1.00 0.00 C ATOM 505 O LEU A 32 1.923 2.323 -11.464 1.00 0.00 O ATOM 506 CB LEU A 32 0.031 4.195 -13.475 1.00 0.00 C ATOM 507 CG LEU A 32 -1.026 4.011 -12.395 1.00 0.00 C ATOM 508 CD1 LEU A 32 -1.041 5.204 -11.458 1.00 0.00 C ATOM 509 CD2 LEU A 32 -2.391 3.806 -13.026 1.00 0.00 C ATOM 0 H LEU A 32 1.857 4.825 -14.946 1.00 0.00 H new ATOM 0 HA LEU A 32 1.636 4.741 -12.144 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.124 5.167 -13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.132 3.441 -14.245 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.779 3.124 -11.812 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.802 5.056 -10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.065 5.307 -10.984 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.267 6.108 -12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.138 3.676 -12.243 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.647 4.676 -13.630 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.370 2.919 -13.659 1.00 0.00 H new ATOM 521 N GLU A 33 2.043 1.833 -13.664 1.00 0.00 N ATOM 522 CA GLU A 33 2.409 0.438 -13.460 1.00 0.00 C ATOM 523 C GLU A 33 3.772 0.344 -12.769 1.00 0.00 C ATOM 524 O GLU A 33 4.002 -0.532 -11.932 1.00 0.00 O ATOM 525 CB GLU A 33 2.446 -0.303 -14.800 1.00 0.00 C ATOM 526 CG GLU A 33 2.646 -1.800 -14.661 1.00 0.00 C ATOM 527 CD GLU A 33 2.839 -2.497 -15.990 1.00 0.00 C ATOM 528 OE1 GLU A 33 1.833 -2.843 -16.643 1.00 0.00 O ATOM 529 OE2 GLU A 33 4.001 -2.726 -16.379 1.00 0.00 O1- ATOM 0 H GLU A 33 1.964 2.106 -14.644 1.00 0.00 H new ATOM 0 HA GLU A 33 1.658 -0.029 -12.822 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.514 -0.117 -15.334 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.250 0.107 -15.410 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.514 -1.988 -14.029 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.783 -2.231 -14.153 1.00 0.00 H new ATOM 536 N GLN A 34 4.666 1.258 -13.125 1.00 0.00 N ATOM 537 CA GLN A 34 6.001 1.311 -12.540 1.00 0.00 C ATOM 538 C GLN A 34 5.925 1.580 -11.035 1.00 0.00 C ATOM 539 O GLN A 34 6.669 0.988 -10.246 1.00 0.00 O ATOM 540 CB GLN A 34 6.827 2.400 -13.223 1.00 0.00 C ATOM 541 CG GLN A 34 8.224 2.566 -12.652 1.00 0.00 C ATOM 542 CD GLN A 34 8.951 3.752 -13.245 1.00 0.00 C ATOM 543 OE1 GLN A 34 8.334 4.750 -13.625 1.00 0.00 O ATOM 544 NE2 GLN A 34 10.255 3.655 -13.337 1.00 0.00 N ATOM 0 H GLN A 34 4.488 1.980 -13.823 1.00 0.00 H new ATOM 0 HA GLN A 34 6.482 0.345 -12.693 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.905 2.170 -14.286 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.297 3.349 -13.141 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.160 2.686 -11.571 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.800 1.660 -12.838 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.728 2.812 -13.011 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.797 4.422 -13.734 1.00 0.00 H new ATOM 553 N VAL A 35 5.008 2.462 -10.647 1.00 0.00 N ATOM 554 CA VAL A 35 4.827 2.819 -9.243 1.00 0.00 C ATOM 555 C VAL A 35 4.414 1.602 -8.431 1.00 0.00 C ATOM 556 O VAL A 35 4.816 1.450 -7.279 1.00 0.00 O ATOM 557 CB VAL A 35 3.766 3.933 -9.060 1.00 0.00 C ATOM 558 CG1 VAL A 35 3.643 4.328 -7.596 1.00 0.00 C ATOM 559 CG2 VAL A 35 4.104 5.139 -9.904 1.00 0.00 C ATOM 0 H VAL A 35 4.377 2.944 -11.287 1.00 0.00 H new ATOM 0 HA VAL A 35 5.786 3.195 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 35 2.805 3.539 -9.391 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.892 5.111 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.345 3.460 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.604 4.696 -7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.345 5.908 -9.760 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.078 5.529 -9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.133 4.851 -10.955 1.00 0.00 H new ATOM 569 N LEU A 36 3.636 0.719 -9.050 1.00 0.00 N ATOM 570 CA LEU A 36 3.146 -0.477 -8.376 1.00 0.00 C ATOM 571 C LEU A 36 4.310 -1.332 -7.888 1.00 0.00 C ATOM 572 O LEU A 36 4.270 -1.868 -6.785 1.00 0.00 O ATOM 573 CB LEU A 36 2.253 -1.297 -9.314 1.00 0.00 C ATOM 574 CG LEU A 36 1.066 -0.551 -9.933 1.00 0.00 C ATOM 575 CD1 LEU A 36 0.281 -1.470 -10.856 1.00 0.00 C ATOM 576 CD2 LEU A 36 0.162 0.021 -8.851 1.00 0.00 C ATOM 0 H LEU A 36 3.331 0.810 -10.019 1.00 0.00 H new ATOM 0 HA LEU A 36 2.556 -0.163 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.871 -1.689 -10.121 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.869 -2.154 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 36 1.456 0.279 -10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.558 -0.923 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.931 -1.825 -11.656 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.094 -2.322 -10.289 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.673 0.546 -9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.219 -0.789 -8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.730 0.717 -8.233 1.00 0.00 H new ATOM 588 N GLU A 37 5.360 -1.422 -8.702 1.00 0.00 N ATOM 589 CA GLU A 37 6.548 -2.188 -8.333 1.00 0.00 C ATOM 590 C GLU A 37 7.230 -1.561 -7.125 1.00 0.00 C ATOM 591 O GLU A 37 7.650 -2.258 -6.199 1.00 0.00 O ATOM 592 CB GLU A 37 7.532 -2.261 -9.501 1.00 0.00 C ATOM 593 CG GLU A 37 8.828 -2.976 -9.157 1.00 0.00 C ATOM 594 CD GLU A 37 9.778 -3.051 -10.320 1.00 0.00 C ATOM 595 OE1 GLU A 37 9.682 -4.016 -11.103 1.00 0.00 O ATOM 596 OE2 GLU A 37 10.628 -2.146 -10.463 1.00 0.00 O1- ATOM 0 H GLU A 37 5.412 -0.976 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 37 6.231 -3.200 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.055 -2.773 -10.337 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.762 -1.250 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.314 -2.459 -8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.601 -3.985 -8.814 1.00 0.00 H new ATOM 603 N GLU A 38 7.324 -0.243 -7.136 1.00 0.00 N ATOM 604 CA GLU A 38 7.928 0.488 -6.075 1.00 0.00 C ATOM 605 C GLU A 38 7.140 0.289 -4.784 1.00 0.00 C ATOM 606 O GLU A 38 7.718 0.183 -3.696 1.00 0.00 O ATOM 607 CB GLU A 38 7.988 1.952 -6.470 1.00 0.00 C ATOM 608 CG GLU A 38 8.624 2.822 -5.447 1.00 0.00 C ATOM 609 CD GLU A 38 8.886 4.213 -5.961 1.00 0.00 C ATOM 610 OE1 GLU A 38 8.000 5.082 -5.833 1.00 0.00 O ATOM 611 OE2 GLU A 38 9.987 4.448 -6.505 1.00 0.00 O1- ATOM 0 H GLU A 38 6.975 0.340 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 38 8.941 0.128 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.539 2.044 -7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.976 2.310 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.980 2.877 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.564 2.373 -5.125 1.00 0.00 H new ATOM 618 N ILE A 39 5.824 0.223 -4.919 1.00 0.00 N ATOM 619 CA ILE A 39 4.947 -0.023 -3.793 1.00 0.00 C ATOM 620 C ILE A 39 5.214 -1.420 -3.217 1.00 0.00 C ATOM 621 O ILE A 39 5.232 -1.602 -2.002 1.00 0.00 O ATOM 622 CB ILE A 39 3.448 0.092 -4.206 1.00 0.00 C ATOM 623 CG1 ILE A 39 3.126 1.504 -4.716 1.00 0.00 C ATOM 624 CG2 ILE A 39 2.534 -0.266 -3.044 1.00 0.00 C ATOM 625 CD1 ILE A 39 3.312 2.595 -3.683 1.00 0.00 C ATOM 0 H ILE A 39 5.339 0.338 -5.809 1.00 0.00 H new ATOM 0 HA ILE A 39 5.153 0.734 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 39 3.273 -0.617 -5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.760 1.721 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.095 1.525 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.494 -0.178 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.732 -1.290 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.720 0.413 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.064 3.560 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.657 2.406 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.349 2.606 -3.348 1.00 0.00 H new ATOM 637 N GLU A 40 5.465 -2.392 -4.107 1.00 0.00 N ATOM 638 CA GLU A 40 5.712 -3.781 -3.693 1.00 0.00 C ATOM 639 C GLU A 40 6.909 -3.865 -2.757 1.00 0.00 C ATOM 640 O GLU A 40 6.856 -4.536 -1.719 1.00 0.00 O ATOM 641 CB GLU A 40 5.972 -4.679 -4.905 1.00 0.00 C ATOM 642 CG GLU A 40 4.815 -4.795 -5.879 1.00 0.00 C ATOM 643 CD GLU A 40 5.125 -5.761 -7.005 1.00 0.00 C ATOM 644 OE1 GLU A 40 4.789 -6.956 -6.873 1.00 0.00 O ATOM 645 OE2 GLU A 40 5.736 -5.341 -8.011 1.00 0.00 O1- ATOM 0 H GLU A 40 5.502 -2.242 -5.115 1.00 0.00 H new ATOM 0 HA GLU A 40 4.818 -4.125 -3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.841 -4.297 -5.441 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.229 -5.677 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.924 -5.129 -5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.589 -3.813 -6.294 1.00 0.00 H new ATOM 652 N GLU A 41 7.985 -3.177 -3.128 1.00 0.00 N ATOM 653 CA GLU A 41 9.206 -3.165 -2.344 1.00 0.00 C ATOM 654 C GLU A 41 8.937 -2.631 -0.945 1.00 0.00 C ATOM 655 O GLU A 41 9.374 -3.208 0.053 1.00 0.00 O ATOM 656 CB GLU A 41 10.251 -2.291 -3.027 1.00 0.00 C ATOM 657 CG GLU A 41 10.528 -2.657 -4.475 1.00 0.00 C ATOM 658 CD GLU A 41 11.610 -1.794 -5.082 1.00 0.00 C ATOM 659 OE1 GLU A 41 11.294 -0.691 -5.582 1.00 0.00 O ATOM 660 OE2 GLU A 41 12.788 -2.202 -5.043 1.00 0.00 O1- ATOM 0 H GLU A 41 8.031 -2.615 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 41 9.577 -4.187 -2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.922 -1.253 -2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.183 -2.354 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.825 -3.704 -4.533 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.612 -2.552 -5.057 1.00 0.00 H new ATOM 667 N LEU A 42 8.199 -1.538 -0.884 1.00 0.00 N ATOM 668 CA LEU A 42 7.875 -0.897 0.378 1.00 0.00 C ATOM 669 C LEU A 42 6.949 -1.770 1.223 1.00 0.00 C ATOM 670 O LEU A 42 7.103 -1.851 2.438 1.00 0.00 O ATOM 671 CB LEU A 42 7.254 0.472 0.133 1.00 0.00 C ATOM 672 CG LEU A 42 8.101 1.448 -0.687 1.00 0.00 C ATOM 673 CD1 LEU A 42 7.390 2.779 -0.833 1.00 0.00 C ATOM 674 CD2 LEU A 42 9.472 1.641 -0.055 1.00 0.00 C ATOM 0 H LEU A 42 7.809 -1.071 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 42 8.801 -0.763 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.300 0.332 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.037 0.930 1.098 1.00 0.00 H new ATOM 0 HG LEU A 42 8.242 1.022 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.008 3.459 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.436 2.628 -1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.214 3.208 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.055 2.339 -0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.355 2.040 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.989 0.683 -0.008 1.00 0.00 H new ATOM 686 N ILE A 43 5.988 -2.422 0.574 1.00 0.00 N ATOM 687 CA ILE A 43 5.053 -3.310 1.271 1.00 0.00 C ATOM 688 C ILE A 43 5.803 -4.448 1.963 1.00 0.00 C ATOM 689 O ILE A 43 5.533 -4.768 3.123 1.00 0.00 O ATOM 690 CB ILE A 43 3.992 -3.897 0.300 1.00 0.00 C ATOM 691 CG1 ILE A 43 3.076 -2.784 -0.217 1.00 0.00 C ATOM 692 CG2 ILE A 43 3.175 -4.993 0.984 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.104 -3.235 -1.287 1.00 0.00 C ATOM 0 H ILE A 43 5.834 -2.354 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 43 4.537 -2.711 2.022 1.00 0.00 H new ATOM 0 HB ILE A 43 4.511 -4.344 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.513 -2.372 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.691 -1.977 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.439 -5.388 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.839 -5.796 1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.664 -4.577 1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.491 -2.390 -1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.658 -3.619 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.462 -4.020 -0.888 1.00 0.00 H new ATOM 705 N GLN A 44 6.755 -5.036 1.251 1.00 0.00 N ATOM 706 CA GLN A 44 7.574 -6.106 1.792 1.00 0.00 C ATOM 707 C GLN A 44 8.383 -5.598 2.984 1.00 0.00 C ATOM 708 O GLN A 44 8.501 -6.276 4.014 1.00 0.00 O ATOM 709 CB GLN A 44 8.512 -6.630 0.703 1.00 0.00 C ATOM 710 CG GLN A 44 9.590 -7.563 1.212 1.00 0.00 C ATOM 711 CD GLN A 44 10.529 -8.018 0.117 1.00 0.00 C ATOM 712 OE1 GLN A 44 10.132 -8.160 -1.040 1.00 0.00 O ATOM 713 NE2 GLN A 44 11.779 -8.236 0.466 1.00 0.00 N ATOM 0 H GLN A 44 6.978 -4.785 0.288 1.00 0.00 H new ATOM 0 HA GLN A 44 6.929 -6.916 2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.921 -7.151 -0.050 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.985 -5.782 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.163 -7.060 1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.124 -8.435 1.671 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.068 -8.107 1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.459 -8.534 -0.233 1.00 0.00 H new ATOM 722 N LYS A 45 8.917 -4.398 2.834 1.00 0.00 N ATOM 723 CA LYS A 45 9.718 -3.754 3.862 1.00 0.00 C ATOM 724 C LYS A 45 8.882 -3.451 5.109 1.00 0.00 C ATOM 725 O LYS A 45 9.303 -3.731 6.234 1.00 0.00 O ATOM 726 CB LYS A 45 10.304 -2.462 3.291 1.00 0.00 C ATOM 727 CG LYS A 45 11.043 -1.594 4.290 1.00 0.00 C ATOM 728 CD LYS A 45 11.501 -0.308 3.632 1.00 0.00 C ATOM 729 CE LYS A 45 12.163 0.627 4.622 1.00 0.00 C ATOM 730 NZ LYS A 45 12.616 1.875 3.968 1.00 0.00 N ATOM 0 H LYS A 45 8.806 -3.838 1.989 1.00 0.00 H new ATOM 0 HA LYS A 45 10.520 -4.428 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.987 -2.718 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.495 -1.877 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.393 -1.367 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.903 -2.134 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.200 -0.540 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.646 0.191 3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.463 0.867 5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.014 0.127 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.650 2.642 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.564 1.732 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.953 2.129 3.208 1.00 0.00 H new ATOM 744 N HIS A 46 7.689 -2.907 4.901 1.00 0.00 N ATOM 745 CA HIS A 46 6.808 -2.553 6.007 1.00 0.00 C ATOM 746 C HIS A 46 6.305 -3.809 6.709 1.00 0.00 C ATOM 747 O HIS A 46 6.218 -3.854 7.940 1.00 0.00 O ATOM 748 CB HIS A 46 5.626 -1.705 5.507 1.00 0.00 C ATOM 749 CG HIS A 46 4.794 -1.106 6.609 1.00 0.00 C ATOM 750 ND1 HIS A 46 3.427 -1.251 6.714 1.00 0.00 N ATOM 751 CD2 HIS A 46 5.168 -0.327 7.657 1.00 0.00 C ATOM 752 CE1 HIS A 46 3.024 -0.569 7.796 1.00 0.00 C ATOM 753 NE2 HIS A 46 4.043 0.008 8.404 1.00 0.00 N ATOM 0 H HIS A 46 7.310 -2.701 3.977 1.00 0.00 H new ATOM 0 HA HIS A 46 7.376 -1.960 6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.009 -0.902 4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.987 -2.326 4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.179 -0.017 7.876 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.998 -0.501 8.127 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.012 0.581 9.247 1.00 0.00 H new ATOM 761 N ARG A 47 5.995 -4.838 5.923 1.00 0.00 N ATOM 762 CA ARG A 47 5.522 -6.096 6.475 1.00 0.00 C ATOM 763 C ARG A 47 6.599 -6.719 7.348 1.00 0.00 C ATOM 764 O ARG A 47 6.309 -7.283 8.391 1.00 0.00 O ATOM 765 CB ARG A 47 5.142 -7.079 5.363 1.00 0.00 C ATOM 766 CG ARG A 47 4.333 -8.271 5.860 1.00 0.00 C ATOM 767 CD ARG A 47 4.710 -9.556 5.135 1.00 0.00 C ATOM 768 NE ARG A 47 6.083 -9.967 5.442 1.00 0.00 N ATOM 769 CZ ARG A 47 6.432 -10.706 6.509 1.00 0.00 C ATOM 770 NH1 ARG A 47 5.499 -11.170 7.341 1.00 0.00 N ATOM 771 NH2 ARG A 47 7.712 -10.990 6.730 1.00 0.00 N ATOM 0 H ARG A 47 6.064 -4.821 4.905 1.00 0.00 H new ATOM 0 HA ARG A 47 4.636 -5.887 7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.567 -6.551 4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.051 -7.441 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.494 -8.398 6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.271 -8.073 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.020 -10.350 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.605 -9.412 4.060 1.00 0.00 H new ATOM 0 HE ARG A 47 6.822 -9.673 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.515 -10.965 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.770 -11.730 8.149 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.428 -10.647 6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.978 -11.551 7.540 1.00 0.00 H new ATOM 785 N GLN A 48 7.848 -6.589 6.912 1.00 0.00 N ATOM 786 CA GLN A 48 8.985 -7.144 7.633 1.00 0.00 C ATOM 787 C GLN A 48 9.120 -6.497 9.011 1.00 0.00 C ATOM 788 O GLN A 48 9.362 -7.179 10.006 1.00 0.00 O ATOM 789 CB GLN A 48 10.265 -6.935 6.825 1.00 0.00 C ATOM 790 CG GLN A 48 11.486 -7.621 7.405 1.00 0.00 C ATOM 791 CD GLN A 48 12.722 -7.390 6.566 1.00 0.00 C ATOM 792 OE1 GLN A 48 13.005 -8.146 5.635 1.00 0.00 O ATOM 793 NE2 GLN A 48 13.467 -6.356 6.887 1.00 0.00 N ATOM 0 H GLN A 48 8.098 -6.098 6.053 1.00 0.00 H new ATOM 0 HA GLN A 48 8.820 -8.212 7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.105 -7.300 5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.464 -5.866 6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.661 -7.254 8.416 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.297 -8.692 7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 48 13.197 -5.755 7.665 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.315 -6.155 6.358 1.00 0.00 H new ATOM 802 N LEU A 49 8.945 -5.184 9.060 1.00 0.00 N ATOM 803 CA LEU A 49 9.033 -4.445 10.313 1.00 0.00 C ATOM 804 C LEU A 49 7.948 -4.890 11.283 1.00 0.00 C ATOM 805 O LEU A 49 8.202 -5.064 12.478 1.00 0.00 O ATOM 806 CB LEU A 49 8.919 -2.944 10.055 1.00 0.00 C ATOM 807 CG LEU A 49 10.027 -2.329 9.202 1.00 0.00 C ATOM 808 CD1 LEU A 49 9.726 -0.872 8.921 1.00 0.00 C ATOM 809 CD2 LEU A 49 11.374 -2.469 9.893 1.00 0.00 C ATOM 0 H LEU A 49 8.741 -4.607 8.244 1.00 0.00 H new ATOM 0 HA LEU A 49 10.004 -4.655 10.761 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.963 -2.750 9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.899 -2.430 11.016 1.00 0.00 H new ATOM 0 HG LEU A 49 10.071 -2.865 8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.524 -0.446 8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.780 -0.793 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.658 -0.327 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.150 -2.025 9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.344 -1.958 10.855 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.594 -3.525 10.050 1.00 0.00 H new ATOM 821 N PHE A 50 6.744 -5.079 10.764 1.00 0.00 N ATOM 822 CA PHE A 50 5.620 -5.514 11.579 1.00 0.00 C ATOM 823 C PHE A 50 5.780 -6.985 11.978 1.00 0.00 C ATOM 824 O PHE A 50 5.456 -7.375 13.101 1.00 0.00 O ATOM 825 CB PHE A 50 4.303 -5.303 10.821 1.00 0.00 C ATOM 826 CG PHE A 50 3.078 -5.662 11.615 1.00 0.00 C ATOM 827 CD1 PHE A 50 2.631 -4.838 12.634 1.00 0.00 C ATOM 828 CD2 PHE A 50 2.375 -6.823 11.340 1.00 0.00 C ATOM 829 CE1 PHE A 50 1.504 -5.164 13.364 1.00 0.00 C ATOM 830 CE2 PHE A 50 1.249 -7.154 12.066 1.00 0.00 C ATOM 831 CZ PHE A 50 0.812 -6.324 13.080 1.00 0.00 C ATOM 0 H PHE A 50 6.520 -4.937 9.779 1.00 0.00 H new ATOM 0 HA PHE A 50 5.599 -4.914 12.489 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.234 -4.259 10.517 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.321 -5.900 9.909 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.170 -3.930 12.861 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.712 -7.477 10.549 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.165 -4.512 14.156 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.709 -8.062 11.841 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.069 -6.582 13.649 1.00 0.00 H new ATOM 841 N ASP A 51 6.297 -7.782 11.055 1.00 0.00 N ATOM 842 CA ASP A 51 6.518 -9.210 11.287 1.00 0.00 C ATOM 843 C ASP A 51 7.537 -9.409 12.399 1.00 0.00 C ATOM 844 O ASP A 51 7.358 -10.248 13.287 1.00 0.00 O ATOM 845 CB ASP A 51 7.027 -9.856 9.998 1.00 0.00 C ATOM 846 CG ASP A 51 7.159 -11.359 10.082 1.00 0.00 C ATOM 847 OD1 ASP A 51 6.158 -12.053 9.841 1.00 0.00 O ATOM 848 OD2 ASP A 51 8.264 -11.848 10.345 1.00 0.00 O1- ATOM 0 H ASP A 51 6.576 -7.464 10.127 1.00 0.00 H new ATOM 0 HA ASP A 51 5.579 -9.676 11.585 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.348 -9.605 9.184 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.998 -9.428 9.747 1.00 0.00 H new ATOM 853 N ASN A 52 8.583 -8.594 12.367 1.00 0.00 N ATOM 854 CA ASN A 52 9.627 -8.638 13.379 1.00 0.00 C ATOM 855 C ASN A 52 9.106 -8.079 14.697 1.00 0.00 C ATOM 856 O ASN A 52 9.543 -8.484 15.779 1.00 0.00 O ATOM 857 CB ASN A 52 10.863 -7.850 12.907 1.00 0.00 C ATOM 858 CG ASN A 52 12.002 -7.863 13.916 1.00 0.00 C ATOM 859 OD1 ASN A 52 12.816 -8.787 13.939 1.00 0.00 O ATOM 860 ND2 ASN A 52 12.083 -6.828 14.738 1.00 0.00 N ATOM 0 H ASN A 52 8.730 -7.889 11.644 1.00 0.00 H new ATOM 0 HA ASN A 52 9.921 -9.676 13.536 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.216 -8.270 11.965 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.574 -6.818 12.708 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.839 -6.777 15.421 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.389 -6.082 14.688 1.00 0.00 H new ATOM 867 N ARG A 53 8.154 -7.153 14.598 1.00 0.00 N ATOM 868 CA ARG A 53 7.543 -6.548 15.773 1.00 0.00 C ATOM 869 C ARG A 53 6.793 -7.600 16.582 1.00 0.00 C ATOM 870 O ARG A 53 6.811 -7.577 17.812 1.00 0.00 O ATOM 871 CB ARG A 53 6.596 -5.406 15.369 1.00 0.00 C ATOM 872 CG ARG A 53 5.876 -4.753 16.542 1.00 0.00 C ATOM 873 CD ARG A 53 6.859 -4.152 17.533 1.00 0.00 C ATOM 874 NE ARG A 53 6.196 -3.675 18.741 1.00 0.00 N ATOM 875 CZ ARG A 53 6.831 -3.372 19.873 1.00 0.00 C ATOM 876 NH1 ARG A 53 8.153 -3.475 19.950 1.00 0.00 N ATOM 877 NH2 ARG A 53 6.146 -2.961 20.927 1.00 0.00 N ATOM 0 H ARG A 53 7.790 -6.806 13.711 1.00 0.00 H new ATOM 0 HA ARG A 53 8.336 -6.130 16.394 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.167 -4.645 14.838 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.854 -5.793 14.671 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.208 -3.975 16.173 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.255 -5.493 17.047 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.606 -4.899 17.801 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.390 -3.325 17.061 1.00 0.00 H new ATOM 0 HE ARG A 53 5.182 -3.566 18.718 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.688 -3.787 19.140 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.633 -3.242 20.819 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.131 -2.876 20.874 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.633 -2.729 21.793 1.00 0.00 H new ATOM 891 N GLN A 54 6.144 -8.524 15.886 1.00 0.00 N ATOM 892 CA GLN A 54 5.429 -9.599 16.548 1.00 0.00 C ATOM 893 C GLN A 54 6.411 -10.631 17.091 1.00 0.00 C ATOM 894 O GLN A 54 6.854 -10.542 18.230 1.00 0.00 O ATOM 895 CB GLN A 54 4.449 -10.290 15.598 1.00 0.00 C ATOM 896 CG GLN A 54 3.360 -9.400 15.039 1.00 0.00 C ATOM 897 CD GLN A 54 2.361 -10.194 14.226 1.00 0.00 C ATOM 898 OE1 GLN A 54 2.701 -11.214 13.629 1.00 0.00 O ATOM 899 NE2 GLN A 54 1.127 -9.747 14.205 1.00 0.00 N ATOM 0 H GLN A 54 6.100 -8.548 14.867 1.00 0.00 H new ATOM 0 HA GLN A 54 4.864 -9.158 17.369 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.012 -10.715 14.767 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.982 -11.122 16.125 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.846 -8.894 15.856 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.806 -8.625 14.415 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.884 -8.897 14.713 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.411 -10.250 13.681 1.00 0.00 H new ATOM 908 N GLU A 55 6.766 -11.585 16.246 1.00 0.00 N ATOM 909 CA GLU A 55 7.674 -12.666 16.609 1.00 0.00 C ATOM 910 C GLU A 55 8.021 -13.472 15.366 1.00 0.00 C ATOM 911 O GLU A 55 8.400 -14.643 15.457 1.00 0.00 O ATOM 912 CB GLU A 55 7.018 -13.580 17.663 1.00 0.00 C ATOM 913 CG GLU A 55 5.681 -14.172 17.226 1.00 0.00 C ATOM 914 CD GLU A 55 5.050 -15.047 18.287 1.00 0.00 C ATOM 915 OE1 GLU A 55 4.247 -14.531 19.094 1.00 0.00 O ATOM 916 OE2 GLU A 55 5.344 -16.260 18.316 1.00 0.00 O1- ATOM 0 H GLU A 55 6.432 -11.633 15.284 1.00 0.00 H new ATOM 0 HA GLU A 55 8.585 -12.243 17.033 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.703 -14.393 17.901 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.869 -13.011 18.580 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.996 -13.363 16.975 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.828 -14.758 16.319 1.00 0.00 H new ATOM 923 N ALA A 56 7.921 -12.809 14.206 1.00 0.00 N ATOM 924 CA ALA A 56 8.109 -13.437 12.901 1.00 0.00 C ATOM 925 C ALA A 56 6.997 -14.438 12.634 1.00 0.00 C ATOM 926 O ALA A 56 7.075 -15.607 13.029 1.00 0.00 O ATOM 927 CB ALA A 56 9.487 -14.078 12.762 1.00 0.00 C ATOM 0 H ALA A 56 7.705 -11.814 14.152 1.00 0.00 H new ATOM 0 HA ALA A 56 8.058 -12.654 12.144 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.579 -14.532 11.775 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.257 -13.316 12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.610 -14.845 13.527 1.00 0.00 H new ATOM 933 N ALA A 57 5.958 -13.968 11.977 1.00 0.00 N ATOM 934 CA ALA A 57 4.794 -14.776 11.701 1.00 0.00 C ATOM 935 C ALA A 57 4.279 -14.492 10.303 1.00 0.00 C ATOM 936 O ALA A 57 3.226 -13.872 10.121 1.00 0.00 O ATOM 937 CB ALA A 57 3.710 -14.517 12.743 1.00 0.00 C ATOM 0 H ALA A 57 5.899 -13.014 11.620 1.00 0.00 H new ATOM 0 HA ALA A 57 5.074 -15.828 11.756 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.838 -15.133 12.522 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.090 -14.768 13.733 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.426 -13.465 12.719 1.00 0.00 H new ATOM 943 N ASP A 58 5.038 -14.939 9.318 1.00 0.00 N ATOM 944 CA ASP A 58 4.700 -14.721 7.918 1.00 0.00 C ATOM 945 C ASP A 58 3.377 -15.383 7.566 1.00 0.00 C ATOM 946 O ASP A 58 2.633 -14.884 6.732 1.00 0.00 O ATOM 947 CB ASP A 58 5.814 -15.251 7.014 1.00 0.00 C ATOM 948 CG ASP A 58 5.547 -15.016 5.542 1.00 0.00 C ATOM 949 OD1 ASP A 58 5.762 -13.880 5.067 1.00 0.00 O ATOM 950 OD2 ASP A 58 5.140 -15.969 4.849 1.00 0.00 O1- ATOM 0 H ASP A 58 5.902 -15.461 9.462 1.00 0.00 H new ATOM 0 HA ASP A 58 4.596 -13.648 7.758 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.754 -14.772 7.287 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.938 -16.320 7.189 1.00 0.00 H new ATOM 955 N THR A 59 3.079 -16.493 8.229 1.00 0.00 N ATOM 956 CA THR A 59 1.843 -17.215 7.983 1.00 0.00 C ATOM 957 C THR A 59 0.630 -16.396 8.465 1.00 0.00 C ATOM 958 O THR A 59 -0.411 -16.355 7.797 1.00 0.00 O ATOM 959 CB THR A 59 1.855 -18.600 8.672 1.00 0.00 C ATOM 960 OG1 THR A 59 3.063 -19.301 8.329 1.00 0.00 O ATOM 961 CG2 THR A 59 0.655 -19.431 8.238 1.00 0.00 C ATOM 0 H THR A 59 3.678 -16.911 8.941 1.00 0.00 H new ATOM 0 HA THR A 59 1.760 -17.370 6.907 1.00 0.00 H new ATOM 0 HB THR A 59 1.806 -18.447 9.750 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.069 -20.177 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.685 -20.400 8.735 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.264 -18.912 8.509 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.684 -19.576 7.158 1.00 0.00 H new ATOM 969 N GLU A 60 0.774 -15.736 9.615 1.00 0.00 N ATOM 970 CA GLU A 60 -0.292 -14.897 10.152 1.00 0.00 C ATOM 971 C GLU A 60 -0.431 -13.633 9.319 1.00 0.00 C ATOM 972 O GLU A 60 -1.536 -13.249 8.943 1.00 0.00 O ATOM 973 CB GLU A 60 -0.011 -14.520 11.612 1.00 0.00 C ATOM 974 CG GLU A 60 -1.111 -13.678 12.248 1.00 0.00 C ATOM 975 CD GLU A 60 -0.750 -13.177 13.631 1.00 0.00 C ATOM 976 OE1 GLU A 60 -0.601 -11.949 13.808 1.00 0.00 O ATOM 977 OE2 GLU A 60 -0.620 -14.008 14.554 1.00 0.00 O1- ATOM 0 H GLU A 60 1.616 -15.767 10.189 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.222 -15.465 10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.120 -15.432 12.195 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.930 -13.972 11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.326 -12.825 11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.024 -14.270 12.309 1.00 0.00 H new ATOM 984 N ALA A 61 0.706 -13.016 9.006 1.00 0.00 N ATOM 985 CA ALA A 61 0.740 -11.788 8.215 1.00 0.00 C ATOM 986 C ALA A 61 0.194 -12.024 6.813 1.00 0.00 C ATOM 987 O ALA A 61 -0.367 -11.121 6.192 1.00 0.00 O ATOM 988 CB ALA A 61 2.157 -11.241 8.149 1.00 0.00 C ATOM 0 H ALA A 61 1.626 -13.351 9.292 1.00 0.00 H new ATOM 0 HA ALA A 61 0.103 -11.052 8.705 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.167 -10.326 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.511 -11.024 9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.811 -11.980 7.686 1.00 0.00 H new ATOM 994 N ALA A 62 0.355 -13.246 6.331 1.00 0.00 N ATOM 995 CA ALA A 62 -0.113 -13.633 5.011 1.00 0.00 C ATOM 996 C ALA A 62 -1.617 -13.475 4.892 1.00 0.00 C ATOM 997 O ALA A 62 -2.123 -13.150 3.828 1.00 0.00 O ATOM 998 CB ALA A 62 0.289 -15.063 4.697 1.00 0.00 C ATOM 0 H ALA A 62 0.814 -13.998 6.845 1.00 0.00 H new ATOM 0 HA ALA A 62 0.358 -12.969 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.071 -15.333 3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.375 -15.150 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.148 -15.734 5.436 1.00 0.00 H new ATOM 1004 N LYS A 63 -2.331 -13.707 5.989 1.00 0.00 N ATOM 1005 CA LYS A 63 -3.785 -13.622 5.972 1.00 0.00 C ATOM 1006 C LYS A 63 -4.241 -12.204 5.623 1.00 0.00 C ATOM 1007 O LYS A 63 -5.124 -12.016 4.782 1.00 0.00 O ATOM 1008 CB LYS A 63 -4.359 -14.037 7.329 1.00 0.00 C ATOM 1009 CG LYS A 63 -3.879 -15.397 7.805 1.00 0.00 C ATOM 1010 CD LYS A 63 -4.545 -15.803 9.110 1.00 0.00 C ATOM 1011 CE LYS A 63 -4.019 -17.143 9.603 1.00 0.00 C ATOM 1012 NZ LYS A 63 -4.786 -17.647 10.770 1.00 0.00 N ATOM 0 H LYS A 63 -1.929 -13.953 6.894 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.156 -14.304 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.090 -13.286 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.447 -14.047 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.090 -16.145 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.798 -15.375 7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.366 -15.039 9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.624 -15.863 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.069 -17.872 8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.969 -17.042 9.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.395 -18.562 11.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.717 -16.964 11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.784 -17.769 10.503 1.00 0.00 H new ATOM 1026 N GLN A 64 -3.623 -11.210 6.250 1.00 0.00 N ATOM 1027 CA GLN A 64 -3.945 -9.817 5.957 1.00 0.00 C ATOM 1028 C GLN A 64 -3.306 -9.407 4.643 1.00 0.00 C ATOM 1029 O GLN A 64 -3.905 -8.689 3.838 1.00 0.00 O ATOM 1030 CB GLN A 64 -3.484 -8.871 7.078 1.00 0.00 C ATOM 1031 CG GLN A 64 -4.029 -9.213 8.458 1.00 0.00 C ATOM 1032 CD GLN A 64 -3.275 -10.349 9.109 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -2.082 -10.522 8.879 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -3.958 -11.131 9.914 1.00 0.00 N ATOM 0 H GLN A 64 -2.902 -11.340 6.959 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.030 -9.737 5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.395 -8.881 7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.784 -7.854 6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.974 -8.331 9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.082 -9.481 8.374 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.949 -10.953 10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.498 -11.916 10.374 1.00 0.00 H new ATOM 1043 N GLY A 65 -2.086 -9.890 4.430 1.00 0.00 N ATOM 1044 CA GLY A 65 -1.342 -9.573 3.233 1.00 0.00 C ATOM 1045 C GLY A 65 -2.036 -10.038 1.977 1.00 0.00 C ATOM 1046 O GLY A 65 -1.985 -9.367 0.963 1.00 0.00 O ATOM 0 H GLY A 65 -1.596 -10.505 5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.188 -8.495 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.356 -10.034 3.290 1.00 0.00 H new ATOM 1050 N ASP A 66 -2.699 -11.181 2.051 1.00 0.00 N ATOM 1051 CA ASP A 66 -3.415 -11.726 0.901 1.00 0.00 C ATOM 1052 C ASP A 66 -4.509 -10.777 0.431 1.00 0.00 C ATOM 1053 O ASP A 66 -4.669 -10.557 -0.760 1.00 0.00 O ATOM 1054 CB ASP A 66 -4.013 -13.092 1.243 1.00 0.00 C ATOM 1055 CG ASP A 66 -5.116 -13.507 0.292 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -4.814 -13.876 -0.864 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -6.294 -13.475 0.703 1.00 0.00 O1- ATOM 0 H ASP A 66 -2.758 -11.752 2.894 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.699 -11.846 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.223 -13.843 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.407 -13.067 2.259 1.00 0.00 H new ATOM 1062 N GLN A 67 -5.231 -10.193 1.371 1.00 0.00 N ATOM 1063 CA GLN A 67 -6.300 -9.257 1.035 1.00 0.00 C ATOM 1064 C GLN A 67 -5.708 -7.954 0.512 1.00 0.00 C ATOM 1065 O GLN A 67 -6.201 -7.371 -0.456 1.00 0.00 O ATOM 1066 CB GLN A 67 -7.171 -8.983 2.259 1.00 0.00 C ATOM 1067 CG GLN A 67 -7.871 -10.216 2.807 1.00 0.00 C ATOM 1068 CD GLN A 67 -8.665 -9.921 4.061 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -8.310 -9.040 4.837 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -9.745 -10.644 4.263 1.00 0.00 N ATOM 0 H GLN A 67 -5.101 -10.347 2.371 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.921 -9.701 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.551 -8.551 3.044 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.922 -8.237 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.538 -10.620 2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.130 -10.985 3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.007 -11.368 3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.321 -10.481 5.089 1.00 0.00 H new ATOM 1079 N TRP A 68 -4.633 -7.528 1.151 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.935 -6.310 0.798 1.00 0.00 C ATOM 1081 C TRP A 68 -3.316 -6.420 -0.603 1.00 0.00 C ATOM 1082 O TRP A 68 -3.493 -5.538 -1.443 1.00 0.00 O ATOM 1083 CB TRP A 68 -2.870 -6.036 1.868 1.00 0.00 C ATOM 1084 CG TRP A 68 -1.912 -4.935 1.556 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.599 -5.079 1.250 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -2.180 -3.528 1.530 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.026 -3.854 1.042 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -0.974 -2.884 1.203 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -3.318 -2.749 1.749 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -0.869 -1.502 1.089 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.213 -1.376 1.635 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -1.997 -0.768 1.308 1.00 0.00 C ATOM 0 H TRP A 68 -4.217 -8.026 1.938 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.634 -5.475 0.765 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.374 -5.800 2.805 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.302 -6.952 2.033 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.080 -6.024 1.180 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.953 -3.691 0.805 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.261 -3.210 2.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.069 -1.029 0.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.085 -0.762 1.801 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.950 0.308 1.227 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.609 -7.513 -0.848 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.982 -7.750 -2.141 1.00 0.00 C ATOM 1105 C VAL A 69 -3.033 -7.987 -3.225 1.00 0.00 C ATOM 1106 O VAL A 69 -2.888 -7.510 -4.349 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.988 -8.947 -2.092 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.444 -9.263 -3.482 1.00 0.00 C ATOM 1109 CG2 VAL A 69 0.160 -8.645 -1.138 1.00 0.00 C ATOM 0 H VAL A 69 -2.454 -8.254 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.416 -6.852 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.530 -9.820 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.248 -10.103 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.269 -9.521 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.079 -8.391 -3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.846 -9.492 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.692 -7.756 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.235 -8.471 -0.137 1.00 0.00 H new ATOM 1119 N GLN A 70 -4.103 -8.706 -2.883 1.00 0.00 N ATOM 1120 CA GLN A 70 -5.155 -8.996 -3.847 1.00 0.00 C ATOM 1121 C GLN A 70 -5.829 -7.711 -4.316 1.00 0.00 C ATOM 1122 O GLN A 70 -6.287 -7.625 -5.452 1.00 0.00 O ATOM 1123 CB GLN A 70 -6.185 -9.954 -3.266 1.00 0.00 C ATOM 1124 CG GLN A 70 -7.139 -10.511 -4.302 1.00 0.00 C ATOM 1125 CD GLN A 70 -8.103 -11.521 -3.726 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -8.484 -11.443 -2.561 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -8.502 -12.476 -4.535 1.00 0.00 N ATOM 0 H GLN A 70 -4.260 -9.094 -1.953 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.692 -9.478 -4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.668 -10.780 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.758 -9.437 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.702 -9.692 -4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.566 -10.978 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.162 -12.505 -5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.152 -13.188 -4.202 1.00 0.00 H new ATOM 1136 N LEU A 71 -5.875 -6.709 -3.441 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.433 -5.416 -3.796 1.00 0.00 C ATOM 1138 C LEU A 71 -5.604 -4.816 -4.936 1.00 0.00 C ATOM 1139 O LEU A 71 -6.147 -4.323 -5.928 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.423 -4.486 -2.572 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.581 -3.483 -2.467 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -7.519 -2.735 -1.146 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -7.574 -2.500 -3.632 1.00 0.00 C ATOM 0 H LEU A 71 -5.532 -6.772 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.466 -5.534 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.423 -5.103 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.487 -3.928 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.513 -4.047 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.347 -2.028 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.590 -3.445 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.575 -2.194 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.407 -1.805 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.636 -1.945 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.675 -3.046 -4.570 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.285 -4.894 -4.794 1.00 0.00 N ATOM 1156 CA PHE A 72 -3.371 -4.428 -5.828 1.00 0.00 C ATOM 1157 C PHE A 72 -3.454 -5.320 -7.052 1.00 0.00 C ATOM 1158 O PHE A 72 -3.296 -4.856 -8.174 1.00 0.00 O ATOM 1159 CB PHE A 72 -1.932 -4.372 -5.315 1.00 0.00 C ATOM 1160 CG PHE A 72 -1.669 -3.222 -4.394 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -1.766 -3.377 -3.027 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -1.328 -1.980 -4.904 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -1.527 -2.317 -2.181 1.00 0.00 C ATOM 1164 CE2 PHE A 72 -1.088 -0.915 -4.062 1.00 0.00 C ATOM 1165 CZ PHE A 72 -1.187 -1.084 -2.699 1.00 0.00 C ATOM 0 H PHE A 72 -3.825 -5.278 -3.969 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.671 -3.417 -6.105 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.704 -5.303 -4.795 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.254 -4.308 -6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.032 -4.340 -2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.249 -1.845 -5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.606 -2.451 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.823 0.049 -4.470 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.999 -0.252 -2.036 1.00 0.00 H new ATOM 1175 N GLN A 73 -3.693 -6.607 -6.825 1.00 0.00 N ATOM 1176 CA GLN A 73 -3.836 -7.564 -7.910 1.00 0.00 C ATOM 1177 C GLN A 73 -5.009 -7.152 -8.799 1.00 0.00 C ATOM 1178 O GLN A 73 -4.910 -7.191 -10.020 1.00 0.00 O ATOM 1179 CB GLN A 73 -4.040 -8.986 -7.343 1.00 0.00 C ATOM 1180 CG GLN A 73 -3.566 -10.116 -8.261 1.00 0.00 C ATOM 1181 CD GLN A 73 -4.446 -10.326 -9.479 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -5.659 -10.111 -9.434 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -3.839 -10.753 -10.573 1.00 0.00 N ATOM 0 H GLN A 73 -3.792 -7.011 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.928 -7.572 -8.513 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.511 -9.063 -6.393 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.100 -9.129 -7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.550 -9.901 -8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.526 -11.043 -7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.832 -10.918 -10.566 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.377 -10.917 -11.424 1.00 0.00 H new ATOM 1192 N ARG A 74 -6.111 -6.723 -8.168 1.00 0.00 N ATOM 1193 CA ARG A 74 -7.283 -6.235 -8.907 1.00 0.00 C ATOM 1194 C ARG A 74 -6.883 -5.045 -9.766 1.00 0.00 C ATOM 1195 O ARG A 74 -7.250 -4.951 -10.939 1.00 0.00 O ATOM 1196 CB ARG A 74 -8.393 -5.777 -7.949 1.00 0.00 C ATOM 1197 CG ARG A 74 -8.856 -6.805 -6.934 1.00 0.00 C ATOM 1198 CD ARG A 74 -9.886 -6.190 -5.997 1.00 0.00 C ATOM 1199 NE ARG A 74 -10.206 -7.049 -4.857 1.00 0.00 N ATOM 1200 CZ ARG A 74 -10.583 -6.588 -3.655 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -10.695 -5.276 -3.451 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -10.854 -7.438 -2.672 1.00 0.00 N ATOM 0 H ARG A 74 -6.215 -6.704 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.653 -7.055 -9.523 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.042 -4.896 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.253 -5.467 -8.542 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.287 -7.665 -7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.004 -7.170 -6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.511 -5.234 -5.631 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.799 -5.982 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.138 -8.059 -4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.494 -4.623 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.982 -4.925 -2.537 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.776 -8.443 -2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.141 -7.087 -1.758 1.00 0.00 H new ATOM 1216 N PHE A 75 -6.121 -4.142 -9.161 1.00 0.00 N ATOM 1217 CA PHE A 75 -5.666 -2.933 -9.828 1.00 0.00 C ATOM 1218 C PHE A 75 -4.755 -3.301 -10.996 1.00 0.00 C ATOM 1219 O PHE A 75 -4.875 -2.754 -12.088 1.00 0.00 O ATOM 1220 CB PHE A 75 -4.932 -2.037 -8.816 1.00 0.00 C ATOM 1221 CG PHE A 75 -4.560 -0.673 -9.329 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -5.428 0.395 -9.162 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -3.349 -0.452 -9.962 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -5.095 1.655 -9.614 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.012 0.808 -10.421 1.00 0.00 C ATOM 1226 CZ PHE A 75 -3.887 1.861 -10.245 1.00 0.00 C ATOM 0 H PHE A 75 -5.803 -4.229 -8.196 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.520 -2.383 -10.223 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.562 -1.918 -7.935 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.025 -2.547 -8.493 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.377 0.238 -8.672 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.660 -1.272 -10.099 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.779 2.479 -9.474 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.066 0.968 -10.916 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.625 2.846 -10.602 1.00 0.00 H new ATOM 1236 N ARG A 76 -3.861 -4.253 -10.752 1.00 0.00 N ATOM 1237 CA ARG A 76 -2.942 -4.747 -11.769 1.00 0.00 C ATOM 1238 C ARG A 76 -3.718 -5.346 -12.937 1.00 0.00 C ATOM 1239 O ARG A 76 -3.395 -5.099 -14.099 1.00 0.00 O ATOM 1240 CB ARG A 76 -2.015 -5.804 -11.169 1.00 0.00 C ATOM 1241 CG ARG A 76 -1.045 -6.416 -12.164 1.00 0.00 C ATOM 1242 CD ARG A 76 -0.375 -7.650 -11.589 1.00 0.00 C ATOM 1243 NE ARG A 76 0.565 -8.252 -12.531 1.00 0.00 N ATOM 1244 CZ ARG A 76 0.296 -9.319 -13.295 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -0.911 -9.883 -13.272 1.00 0.00 N ATOM 1246 NH2 ARG A 76 1.233 -9.815 -14.084 1.00 0.00 N ATOM 0 H ARG A 76 -3.754 -4.704 -9.843 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.344 -3.911 -12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.447 -5.354 -10.355 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.621 -6.598 -10.734 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.576 -6.680 -13.078 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.287 -5.681 -12.436 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.151 -7.383 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.136 -8.382 -11.318 1.00 0.00 H new ATOM 0 HE ARG A 76 1.490 -7.831 -12.613 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.640 -9.503 -12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.106 -10.695 -13.858 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.158 -9.385 -14.110 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.031 -10.627 -14.667 1.00 0.00 H new ATOM 1260 N GLU A 77 -4.744 -6.130 -12.616 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.591 -6.736 -13.629 1.00 0.00 C ATOM 1262 C GLU A 77 -6.252 -5.662 -14.463 1.00 0.00 C ATOM 1263 O GLU A 77 -6.247 -5.732 -15.681 1.00 0.00 O ATOM 1264 CB GLU A 77 -6.656 -7.622 -12.987 1.00 0.00 C ATOM 1265 CG GLU A 77 -6.121 -8.917 -12.413 1.00 0.00 C ATOM 1266 CD GLU A 77 -5.635 -9.870 -13.479 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -6.485 -10.488 -14.155 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -4.411 -10.019 -13.638 1.00 0.00 O1- ATOM 0 H GLU A 77 -5.006 -6.359 -11.657 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.965 -7.356 -14.271 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.149 -7.061 -12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.417 -7.855 -13.732 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.302 -8.695 -11.729 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.903 -9.401 -11.828 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.788 -4.652 -13.798 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.439 -3.551 -14.484 1.00 0.00 C ATOM 1277 C ALA A 78 -6.459 -2.845 -15.421 1.00 0.00 C ATOM 1278 O ALA A 78 -6.823 -2.460 -16.525 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.033 -2.578 -13.482 1.00 0.00 C ATOM 0 H ALA A 78 -6.784 -4.573 -12.781 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.252 -3.952 -15.089 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.517 -1.759 -14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.768 -3.095 -12.865 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.241 -2.181 -12.847 1.00 0.00 H new ATOM 1285 N ILE A 79 -5.213 -2.703 -14.978 1.00 0.00 N ATOM 1286 CA ILE A 79 -4.164 -2.102 -15.804 1.00 0.00 C ATOM 1287 C ILE A 79 -3.910 -2.968 -17.038 1.00 0.00 C ATOM 1288 O ILE A 79 -3.816 -2.467 -18.163 1.00 0.00 O ATOM 1289 CB ILE A 79 -2.828 -1.954 -15.014 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -3.003 -1.033 -13.804 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -1.711 -1.438 -15.917 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -3.354 0.393 -14.160 1.00 0.00 C ATOM 0 H ILE A 79 -4.902 -2.995 -14.051 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.508 -1.111 -16.100 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.548 -2.944 -14.653 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.785 -1.439 -13.162 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.081 -1.035 -13.223 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.791 -1.344 -15.340 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.555 -2.137 -16.738 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.989 -0.463 -16.318 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.461 0.980 -13.248 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.562 0.820 -14.776 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.293 0.409 -14.714 1.00 0.00 H new ATOM 1304 N ASP A 80 -3.821 -4.269 -16.817 1.00 0.00 N ATOM 1305 CA ASP A 80 -3.545 -5.224 -17.886 1.00 0.00 C ATOM 1306 C ASP A 80 -4.711 -5.336 -18.868 1.00 0.00 C ATOM 1307 O ASP A 80 -4.503 -5.455 -20.072 1.00 0.00 O ATOM 1308 CB ASP A 80 -3.227 -6.599 -17.296 1.00 0.00 C ATOM 1309 CG ASP A 80 -2.993 -7.652 -18.358 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -1.852 -7.764 -18.856 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -3.947 -8.384 -18.697 1.00 0.00 O1- ATOM 0 H ASP A 80 -3.937 -4.695 -15.897 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.681 -4.855 -18.438 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.342 -6.523 -16.665 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.050 -6.913 -16.654 1.00 0.00 H new ATOM 1316 N LYS A 81 -5.934 -5.278 -18.359 1.00 0.00 N ATOM 1317 CA LYS A 81 -7.113 -5.406 -19.217 1.00 0.00 C ATOM 1318 C LYS A 81 -7.480 -4.063 -19.842 1.00 0.00 C ATOM 1319 O LYS A 81 -8.261 -4.006 -20.796 1.00 0.00 O ATOM 1320 CB LYS A 81 -8.317 -5.955 -18.428 1.00 0.00 C ATOM 1321 CG LYS A 81 -7.999 -7.154 -17.541 1.00 0.00 C ATOM 1322 CD LYS A 81 -7.417 -8.320 -18.322 1.00 0.00 C ATOM 1323 CE LYS A 81 -6.787 -9.340 -17.382 1.00 0.00 C ATOM 1324 NZ LYS A 81 -7.764 -9.889 -16.408 1.00 0.00 N ATOM 0 H LYS A 81 -6.139 -5.145 -17.369 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.863 -6.110 -20.011 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.722 -5.157 -17.806 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.099 -6.238 -19.133 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.294 -6.852 -16.767 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.908 -7.478 -17.035 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.201 -8.797 -18.911 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.668 -7.955 -19.025 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.363 -10.156 -17.967 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.963 -8.873 -16.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.422 -9.721 -15.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.683 -9.420 -16.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.872 -10.912 -16.564 1.00 0.00 H new ATOM 1338 N GLY A 82 -6.897 -2.992 -19.317 1.00 0.00 N ATOM 1339 CA GLY A 82 -7.189 -1.663 -19.819 1.00 0.00 C ATOM 1340 C GLY A 82 -8.508 -1.128 -19.291 1.00 0.00 C ATOM 1341 O GLY A 82 -9.199 -0.375 -19.975 1.00 0.00 O ATOM 0 H GLY A 82 -6.225 -3.021 -18.550 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.384 -0.985 -19.536 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.218 -1.686 -20.908 1.00 0.00 H new ATOM 1345 N ASP A 83 -8.855 -1.521 -18.074 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.108 -1.106 -17.453 1.00 0.00 C ATOM 1347 C ASP A 83 -9.892 0.134 -16.591 1.00 0.00 C ATOM 1348 O ASP A 83 -9.451 0.042 -15.442 1.00 0.00 O ATOM 1349 CB ASP A 83 -10.694 -2.236 -16.612 1.00 0.00 C ATOM 1350 CG ASP A 83 -12.131 -1.976 -16.220 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -12.389 -1.012 -15.483 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -13.018 -2.754 -16.641 1.00 0.00 O1- ATOM 0 H ASP A 83 -8.282 -2.132 -17.492 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.815 -0.862 -18.246 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.636 -3.170 -17.172 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.092 -2.366 -15.712 1.00 0.00 H new ATOM 1357 N LYS A 84 -10.183 1.284 -17.159 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.968 2.564 -16.492 1.00 0.00 C ATOM 1359 C LYS A 84 -10.969 2.804 -15.345 1.00 0.00 C ATOM 1360 O LYS A 84 -10.602 3.353 -14.302 1.00 0.00 O ATOM 1361 CB LYS A 84 -10.066 3.701 -17.516 1.00 0.00 C ATOM 1362 CG LYS A 84 -9.535 5.048 -17.030 1.00 0.00 C ATOM 1363 CD LYS A 84 -8.007 5.070 -16.959 1.00 0.00 C ATOM 1364 CE LYS A 84 -7.379 4.863 -18.335 1.00 0.00 C ATOM 1365 NZ LYS A 84 -5.907 5.061 -18.317 1.00 0.00 N ATOM 0 H LYS A 84 -10.576 1.366 -18.097 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.971 2.541 -16.051 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.517 3.412 -18.412 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.110 3.821 -17.806 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.878 5.836 -17.700 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.947 5.266 -16.045 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -7.675 6.022 -16.546 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.662 4.290 -16.280 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.604 3.856 -18.687 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.828 5.557 -19.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.527 4.927 -19.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.690 6.024 -17.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.472 4.371 -17.672 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.223 2.384 -15.531 1.00 0.00 N ATOM 1380 CA ASP A 85 -13.271 2.656 -14.533 1.00 0.00 C ATOM 1381 C ASP A 85 -13.036 1.916 -13.216 1.00 0.00 C ATOM 1382 O ASP A 85 -13.348 2.439 -12.138 1.00 0.00 O ATOM 1383 CB ASP A 85 -14.691 2.379 -15.081 1.00 0.00 C ATOM 1384 CG ASP A 85 -14.967 0.924 -15.420 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -15.280 0.135 -14.500 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -14.916 0.569 -16.617 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.538 1.862 -16.349 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.205 3.723 -14.318 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.422 2.711 -14.344 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.845 2.982 -15.976 1.00 0.00 H new ATOM 1391 N SER A 86 -12.483 0.719 -13.293 1.00 0.00 N ATOM 1392 CA SER A 86 -12.194 -0.055 -12.096 1.00 0.00 C ATOM 1393 C SER A 86 -11.076 0.589 -11.284 1.00 0.00 C ATOM 1394 O SER A 86 -11.083 0.532 -10.059 1.00 0.00 O ATOM 1395 CB SER A 86 -11.838 -1.494 -12.455 1.00 0.00 C ATOM 1396 OG SER A 86 -12.885 -2.091 -13.204 1.00 0.00 O ATOM 0 H SER A 86 -12.225 0.262 -14.168 1.00 0.00 H new ATOM 0 HA SER A 86 -13.093 -0.068 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.913 -1.513 -13.032 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.659 -2.069 -11.546 1.00 0.00 H new ATOM 0 HG SER A 86 -13.095 -1.529 -13.979 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.135 1.225 -11.976 1.00 0.00 N ATOM 1403 CA LEU A 87 -8.993 1.856 -11.325 1.00 0.00 C ATOM 1404 C LEU A 87 -9.448 2.901 -10.312 1.00 0.00 C ATOM 1405 O LEU A 87 -8.972 2.925 -9.177 1.00 0.00 O ATOM 1406 CB LEU A 87 -8.084 2.513 -12.369 1.00 0.00 C ATOM 1407 CG LEU A 87 -7.478 1.578 -13.413 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -6.627 2.359 -14.395 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -6.656 0.496 -12.744 1.00 0.00 C ATOM 0 H LEU A 87 -10.142 1.317 -12.992 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.437 1.081 -10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.657 3.282 -12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.271 3.018 -11.847 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.291 1.103 -13.962 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.203 1.677 -15.132 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.244 3.102 -14.901 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.821 2.861 -13.859 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.232 -0.161 -13.504 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.851 0.954 -12.170 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.293 -0.085 -12.077 1.00 0.00 H new ATOM 1421 N GLU A 88 -10.390 3.740 -10.719 1.00 0.00 N ATOM 1422 CA GLU A 88 -10.902 4.795 -9.853 1.00 0.00 C ATOM 1423 C GLU A 88 -11.628 4.210 -8.634 1.00 0.00 C ATOM 1424 O GLU A 88 -11.518 4.734 -7.520 1.00 0.00 O ATOM 1425 CB GLU A 88 -11.831 5.717 -10.641 1.00 0.00 C ATOM 1426 CG GLU A 88 -12.334 6.904 -9.844 1.00 0.00 C ATOM 1427 CD GLU A 88 -13.186 7.834 -10.667 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -14.402 7.582 -10.790 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -12.649 8.832 -11.189 1.00 0.00 O1- ATOM 0 H GLU A 88 -10.817 3.711 -11.645 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.056 5.376 -9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.304 6.080 -11.523 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.686 5.140 -10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.912 6.546 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.483 7.455 -9.444 1.00 0.00 H new ATOM 1436 N GLN A 89 -12.354 3.120 -8.847 1.00 0.00 N ATOM 1437 CA GLN A 89 -13.080 2.465 -7.770 1.00 0.00 C ATOM 1438 C GLN A 89 -12.108 1.827 -6.785 1.00 0.00 C ATOM 1439 O GLN A 89 -12.262 1.954 -5.569 1.00 0.00 O ATOM 1440 CB GLN A 89 -14.019 1.401 -8.332 1.00 0.00 C ATOM 1441 CG GLN A 89 -14.857 0.714 -7.272 1.00 0.00 C ATOM 1442 CD GLN A 89 -15.742 -0.376 -7.836 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -16.172 -0.311 -8.984 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -16.019 -1.382 -7.031 1.00 0.00 N ATOM 0 H GLN A 89 -12.455 2.671 -9.758 1.00 0.00 H new ATOM 0 HA GLN A 89 -13.670 3.218 -7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.681 1.862 -9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.431 0.651 -8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.198 0.286 -6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -15.478 1.456 -6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -15.641 -1.396 -6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -16.612 -2.146 -7.355 1.00 0.00 H new ATOM 1453 N LEU A 90 -11.102 1.158 -7.323 1.00 0.00 N ATOM 1454 CA LEU A 90 -10.101 0.485 -6.514 1.00 0.00 C ATOM 1455 C LEU A 90 -9.327 1.478 -5.661 1.00 0.00 C ATOM 1456 O LEU A 90 -8.988 1.185 -4.518 1.00 0.00 O ATOM 1457 CB LEU A 90 -9.152 -0.313 -7.405 1.00 0.00 C ATOM 1458 CG LEU A 90 -9.808 -1.437 -8.212 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -8.832 -2.018 -9.210 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -10.333 -2.523 -7.288 1.00 0.00 C ATOM 0 H LEU A 90 -10.957 1.067 -8.328 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.613 -0.204 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.665 0.374 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.369 -0.744 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.650 -1.015 -8.761 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.318 -2.815 -9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.505 -1.237 -9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.968 -2.422 -8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.795 -3.313 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.508 -2.939 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.073 -2.098 -6.610 1.00 0.00 H new ATOM 1472 N LEU A 91 -9.064 2.659 -6.216 1.00 0.00 N ATOM 1473 CA LEU A 91 -8.356 3.708 -5.486 1.00 0.00 C ATOM 1474 C LEU A 91 -9.130 4.123 -4.240 1.00 0.00 C ATOM 1475 O LEU A 91 -8.536 4.429 -3.206 1.00 0.00 O ATOM 1476 CB LEU A 91 -8.108 4.926 -6.379 1.00 0.00 C ATOM 1477 CG LEU A 91 -7.116 4.726 -7.528 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -7.014 5.987 -8.364 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -5.746 4.329 -6.995 1.00 0.00 C ATOM 0 H LEU A 91 -9.330 2.913 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.393 3.302 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.062 5.243 -6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.749 5.743 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.484 3.918 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.305 5.828 -9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.993 6.229 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.671 6.811 -7.739 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.057 4.192 -7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.370 5.113 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.829 3.397 -6.436 1.00 0.00 H new ATOM 1491 N GLU A 92 -10.456 4.123 -4.345 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.318 4.485 -3.227 1.00 0.00 C ATOM 1493 C GLU A 92 -11.188 3.464 -2.095 1.00 0.00 C ATOM 1494 O GLU A 92 -11.025 3.829 -0.931 1.00 0.00 O ATOM 1495 CB GLU A 92 -12.776 4.567 -3.700 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.786 4.868 -2.599 1.00 0.00 C ATOM 1497 CD GLU A 92 -13.538 6.196 -1.924 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -13.649 7.241 -2.599 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -13.246 6.207 -0.709 1.00 0.00 O1- ATOM 0 H GLU A 92 -10.958 3.875 -5.198 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.009 5.459 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.853 5.339 -4.466 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.044 3.622 -4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -14.790 4.863 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.751 4.074 -1.853 1.00 0.00 H new ATOM 1506 N GLU A 93 -11.223 2.185 -2.450 1.00 0.00 N ATOM 1507 CA GLU A 93 -11.110 1.120 -1.463 1.00 0.00 C ATOM 1508 C GLU A 93 -9.698 1.078 -0.897 1.00 0.00 C ATOM 1509 O GLU A 93 -9.499 0.886 0.305 1.00 0.00 O ATOM 1510 CB GLU A 93 -11.476 -0.232 -2.078 1.00 0.00 C ATOM 1511 CG GLU A 93 -11.541 -1.367 -1.067 1.00 0.00 C ATOM 1512 CD GLU A 93 -11.988 -2.671 -1.681 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -13.008 -2.670 -2.404 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -11.343 -3.708 -1.429 1.00 0.00 O1- ATOM 0 H GLU A 93 -11.328 1.862 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.809 1.326 -0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.442 -0.145 -2.576 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.743 -0.482 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.558 -1.501 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.227 -1.094 -0.265 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.725 1.273 -1.771 1.00 0.00 N ATOM 1522 CA LEU A 94 -7.332 1.284 -1.380 1.00 0.00 C ATOM 1523 C LEU A 94 -7.072 2.419 -0.397 1.00 0.00 C ATOM 1524 O LEU A 94 -6.363 2.247 0.587 1.00 0.00 O ATOM 1525 CB LEU A 94 -6.440 1.434 -2.618 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.934 1.337 -2.383 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -4.564 -0.026 -1.814 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -4.181 1.597 -3.679 1.00 0.00 C ATOM 0 H LEU A 94 -8.881 1.427 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.094 0.340 -0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.724 0.667 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.653 2.399 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.649 2.097 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.487 -0.073 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.078 -0.176 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.862 -0.806 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.109 1.525 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.473 0.857 -4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.421 2.595 -4.045 1.00 0.00 H new ATOM 1540 N GLU A 95 -7.682 3.571 -0.659 1.00 0.00 N ATOM 1541 CA GLU A 95 -7.529 4.736 0.198 1.00 0.00 C ATOM 1542 C GLU A 95 -7.996 4.423 1.614 1.00 0.00 C ATOM 1543 O GLU A 95 -7.373 4.840 2.590 1.00 0.00 O ATOM 1544 CB GLU A 95 -8.316 5.918 -0.366 1.00 0.00 C ATOM 1545 CG GLU A 95 -8.042 7.232 0.342 1.00 0.00 C ATOM 1546 CD GLU A 95 -6.584 7.623 0.282 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -6.123 8.046 -0.796 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -5.896 7.521 1.310 1.00 0.00 O1- ATOM 0 H GLU A 95 -8.290 3.720 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.472 5.002 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.077 6.030 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.381 5.697 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.646 8.019 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.352 7.152 1.384 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.085 3.664 1.716 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.633 3.274 3.009 1.00 0.00 C ATOM 1557 C GLN A 96 -8.605 2.473 3.798 1.00 0.00 C ATOM 1558 O GLN A 96 -8.460 2.643 5.012 1.00 0.00 O ATOM 1559 CB GLN A 96 -10.909 2.444 2.821 1.00 0.00 C ATOM 1560 CG GLN A 96 -12.006 3.166 2.057 1.00 0.00 C ATOM 1561 CD GLN A 96 -12.467 4.429 2.754 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -12.441 4.520 3.985 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -12.886 5.411 1.980 1.00 0.00 N ATOM 0 H GLN A 96 -9.605 3.307 0.915 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.881 4.178 3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.658 1.524 2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.291 2.156 3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.644 3.417 1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.856 2.496 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.891 5.295 0.967 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -13.205 6.287 2.395 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.883 1.612 3.097 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.849 0.803 3.712 1.00 0.00 C ATOM 1574 C ALA A 97 -5.693 1.679 4.191 1.00 0.00 C ATOM 1575 O ALA A 97 -5.194 1.506 5.304 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.359 -0.258 2.741 1.00 0.00 C ATOM 0 H ALA A 97 -7.998 1.457 2.095 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.273 0.301 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.583 -0.857 3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.191 -0.902 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.951 0.223 1.852 1.00 0.00 H new ATOM 1582 N LEU A 98 -5.281 2.634 3.352 1.00 0.00 N ATOM 1583 CA LEU A 98 -4.207 3.560 3.713 1.00 0.00 C ATOM 1584 C LEU A 98 -4.587 4.422 4.905 1.00 0.00 C ATOM 1585 O LEU A 98 -3.735 4.763 5.718 1.00 0.00 O ATOM 1586 CB LEU A 98 -3.784 4.447 2.526 1.00 0.00 C ATOM 1587 CG LEU A 98 -2.830 3.820 1.491 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -1.479 3.525 2.120 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -3.413 2.560 0.882 1.00 0.00 C ATOM 0 H LEU A 98 -5.674 2.785 2.423 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.352 2.945 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.686 4.769 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.310 5.344 2.925 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.696 4.545 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.819 3.083 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.040 4.452 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.608 2.829 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.711 2.148 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.596 1.827 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.352 2.798 0.382 1.00 0.00 H new ATOM 1601 N GLN A 99 -5.866 4.767 5.017 1.00 0.00 N ATOM 1602 CA GLN A 99 -6.338 5.551 6.154 1.00 0.00 C ATOM 1603 C GLN A 99 -6.122 4.767 7.436 1.00 0.00 C ATOM 1604 O GLN A 99 -5.666 5.310 8.444 1.00 0.00 O ATOM 1605 CB GLN A 99 -7.824 5.903 6.004 1.00 0.00 C ATOM 1606 CG GLN A 99 -8.133 6.799 4.818 1.00 0.00 C ATOM 1607 CD GLN A 99 -7.449 8.150 4.903 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -7.217 8.683 5.987 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -7.113 8.707 3.762 1.00 0.00 N ATOM 0 H GLN A 99 -6.589 4.519 4.341 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.771 6.481 6.190 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.397 4.981 5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.163 6.395 6.915 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -7.824 6.298 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.211 6.947 4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.322 8.234 2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.643 9.612 3.755 1.00 0.00 H new ATOM 1618 N LYS A 100 -6.419 3.477 7.373 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.246 2.598 8.509 1.00 0.00 C ATOM 1620 C LYS A 100 -4.762 2.438 8.841 1.00 0.00 C ATOM 1621 O LYS A 100 -4.376 2.447 10.001 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.893 1.237 8.236 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.914 0.311 9.445 1.00 0.00 C ATOM 1624 CD LYS A 100 -7.722 -0.954 9.175 1.00 0.00 C ATOM 1625 CE LYS A 100 -9.192 -0.640 8.909 1.00 0.00 C ATOM 1626 NZ LYS A 100 -9.814 0.113 10.028 1.00 0.00 N ATOM 0 H LYS A 100 -6.783 3.018 6.538 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.741 3.044 9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.916 1.394 7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.356 0.747 7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.893 0.040 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.339 0.838 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.301 -1.478 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.642 -1.626 10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.278 -0.060 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.738 -1.570 8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.846 0.129 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.580 -0.349 10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.451 1.088 10.035 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.933 2.309 7.815 1.00 0.00 N ATOM 1641 CA ILE A 101 -2.492 2.181 8.015 1.00 0.00 C ATOM 1642 C ILE A 101 -1.928 3.441 8.679 1.00 0.00 C ATOM 1643 O ILE A 101 -1.098 3.361 9.590 1.00 0.00 O ATOM 1644 CB ILE A 101 -1.748 1.914 6.679 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.218 0.587 6.070 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -0.234 1.900 6.893 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -1.579 0.261 4.737 1.00 0.00 C ATOM 0 H ILE A 101 -4.229 2.290 6.839 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.330 1.325 8.670 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.983 2.721 5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.003 -0.219 6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.300 0.620 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.266 1.711 5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.087 2.865 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.026 1.114 7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.963 -0.692 4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.815 1.046 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.498 0.194 4.858 1.00 0.00 H new ATOM 1659 N ARG A 102 -2.408 4.599 8.235 1.00 0.00 N ATOM 1660 CA ARG A 102 -1.970 5.880 8.781 1.00 0.00 C ATOM 1661 C ARG A 102 -2.284 5.975 10.271 1.00 0.00 C ATOM 1662 O ARG A 102 -1.429 6.366 11.071 1.00 0.00 O ATOM 1663 CB ARG A 102 -2.649 7.041 8.044 1.00 0.00 C ATOM 1664 CG ARG A 102 -2.189 7.241 6.608 1.00 0.00 C ATOM 1665 CD ARG A 102 -3.062 8.269 5.902 1.00 0.00 C ATOM 1666 NE ARG A 102 -2.601 8.563 4.539 1.00 0.00 N ATOM 1667 CZ ARG A 102 -3.294 8.292 3.427 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -4.436 7.623 3.498 1.00 0.00 N ATOM 1669 NH2 ARG A 102 -2.839 8.683 2.246 1.00 0.00 N ATOM 0 H ARG A 102 -3.105 4.676 7.494 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.891 5.946 8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.726 6.874 8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.469 7.961 8.600 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.150 7.569 6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.230 6.293 6.072 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.088 7.903 5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.074 9.191 6.484 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.688 9.005 4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.790 7.313 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.961 7.419 2.648 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.958 9.192 2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.370 8.475 1.400 1.00 0.00 H new ATOM 1683 N GLU A 103 -3.505 5.609 10.643 1.00 0.00 N ATOM 1684 CA GLU A 103 -3.927 5.688 12.032 1.00 0.00 C ATOM 1685 C GLU A 103 -3.276 4.610 12.897 1.00 0.00 C ATOM 1686 O GLU A 103 -3.051 4.825 14.083 1.00 0.00 O ATOM 1687 CB GLU A 103 -5.448 5.633 12.159 1.00 0.00 C ATOM 1688 CG GLU A 103 -6.077 4.389 11.573 1.00 0.00 C ATOM 1689 CD GLU A 103 -7.558 4.311 11.835 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -7.951 3.664 12.820 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -8.339 4.911 11.068 1.00 0.00 O1- ATOM 0 H GLU A 103 -4.216 5.256 10.003 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.588 6.655 12.404 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.715 5.699 13.214 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.874 6.507 11.667 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.900 4.369 10.498 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.591 3.508 11.992 1.00 0.00 H new ATOM 1698 N LEU A 104 -2.981 3.453 12.305 1.00 0.00 N ATOM 1699 CA LEU A 104 -2.330 2.368 13.039 1.00 0.00 C ATOM 1700 C LEU A 104 -0.899 2.741 13.397 1.00 0.00 C ATOM 1701 O LEU A 104 -0.439 2.475 14.505 1.00 0.00 O ATOM 1702 CB LEU A 104 -2.349 1.060 12.237 1.00 0.00 C ATOM 1703 CG LEU A 104 -3.723 0.406 12.049 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -3.602 -0.858 11.213 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -4.364 0.094 13.395 1.00 0.00 C ATOM 0 H LEU A 104 -3.180 3.243 11.327 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.893 2.211 13.959 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.924 1.255 11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.693 0.344 12.732 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.365 1.111 11.521 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.587 -1.309 11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.192 -0.609 10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.940 -1.564 11.715 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.338 -0.369 13.236 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.724 -0.589 13.953 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.490 1.017 13.961 1.00 0.00 H new ATOM 1717 N ALA A 105 -0.201 3.368 12.458 1.00 0.00 N ATOM 1718 CA ALA A 105 1.169 3.809 12.696 1.00 0.00 C ATOM 1719 C ALA A 105 1.180 5.000 13.651 1.00 0.00 C ATOM 1720 O ALA A 105 2.148 5.227 14.381 1.00 0.00 O ATOM 1721 CB ALA A 105 1.847 4.164 11.379 1.00 0.00 C ATOM 0 H ALA A 105 -0.559 3.582 11.527 1.00 0.00 H new ATOM 0 HA ALA A 105 1.727 2.994 13.157 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.869 4.491 11.572 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.863 3.288 10.730 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.295 4.967 10.890 1.00 0.00 H new ATOM 1727 N GLU A 106 0.087 5.749 13.640 1.00 0.00 N ATOM 1728 CA GLU A 106 -0.077 6.899 14.515 1.00 0.00 C ATOM 1729 C GLU A 106 -0.567 6.441 15.888 1.00 0.00 C ATOM 1730 O GLU A 106 -0.484 7.178 16.870 1.00 0.00 O ATOM 1731 CB GLU A 106 -1.085 7.879 13.893 1.00 0.00 C ATOM 1732 CG GLU A 106 -1.228 9.194 14.639 1.00 0.00 C ATOM 1733 CD GLU A 106 0.086 9.917 14.763 1.00 0.00 C ATOM 1734 OE1 GLU A 106 0.650 10.306 13.721 1.00 0.00 O ATOM 1735 OE2 GLU A 106 0.572 10.088 15.900 1.00 0.00 O1- ATOM 0 H GLU A 106 -0.709 5.577 13.026 1.00 0.00 H new ATOM 0 HA GLU A 106 0.882 7.402 14.635 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.783 8.089 12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.061 7.395 13.845 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.944 9.830 14.119 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.633 9.005 15.633 1.00 0.00 H new ATOM 1742 N LYS A 107 -1.064 5.208 15.930 1.00 0.00 N ATOM 1743 CA LYS A 107 -1.626 4.608 17.134 1.00 0.00 C ATOM 1744 C LYS A 107 -2.780 5.460 17.662 1.00 0.00 C ATOM 1745 O LYS A 107 -2.838 5.797 18.850 1.00 0.00 O ATOM 1746 CB LYS A 107 -0.551 4.403 18.215 1.00 0.00 C ATOM 1747 CG LYS A 107 -0.621 3.035 18.897 1.00 0.00 C ATOM 1748 CD LYS A 107 -1.996 2.773 19.493 1.00 0.00 C ATOM 1749 CE LYS A 107 -2.116 1.358 20.031 1.00 0.00 C ATOM 1750 NZ LYS A 107 -3.484 1.077 20.528 1.00 0.00 N ATOM 0 H LYS A 107 -1.088 4.591 15.118 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.014 3.624 16.872 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.434 4.525 17.764 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.654 5.182 18.970 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.383 2.255 18.174 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.133 2.981 19.683 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.186 3.485 20.296 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -2.759 2.939 18.733 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.860 0.647 19.246 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.398 1.213 20.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.529 0.102 20.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.718 1.740 21.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.166 1.191 19.751 1.00 0.00 H new