USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 TYR OH : rot -95:sc= 0.494 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -0.299 K(o=0.2,f=-0.55) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00274) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.015) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.765 -0.782 5.712 1.00 0.00 N ATOM 43 CA LEU A 3 -12.407 -0.998 5.228 1.00 0.00 C ATOM 44 C LEU A 3 -11.908 -2.389 5.606 1.00 0.00 C ATOM 45 O LEU A 3 -12.462 -3.038 6.493 1.00 0.00 O ATOM 46 CB LEU A 3 -11.466 0.066 5.797 1.00 0.00 C ATOM 47 CG LEU A 3 -11.917 1.518 5.632 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.075 2.440 6.501 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.838 1.939 4.172 1.00 0.00 C ATOM 0 HA LEU A 3 -12.419 -0.920 4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.327 -0.132 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.492 -0.047 5.321 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.955 1.595 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.410 3.469 6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.183 2.153 7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.028 2.360 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.163 2.975 4.074 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.810 1.846 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.485 1.298 3.573 1.00 0.00 H new ATOM 61 N VAL A 4 -10.857 -2.839 4.929 1.00 0.00 N ATOM 62 CA VAL A 4 -10.281 -4.152 5.196 1.00 0.00 C ATOM 63 C VAL A 4 -8.776 -4.152 4.950 1.00 0.00 C ATOM 64 O VAL A 4 -8.288 -3.494 4.032 1.00 0.00 O ATOM 65 CB VAL A 4 -10.934 -5.240 4.323 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.326 -5.573 4.836 1.00 0.00 C ATOM 67 CG2 VAL A 4 -10.985 -4.795 2.869 1.00 0.00 C ATOM 0 H VAL A 4 -10.387 -2.314 4.192 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.474 -4.375 6.245 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.326 -6.143 4.383 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.771 -6.343 4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.259 -5.936 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -12.948 -4.678 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.449 -5.575 2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.570 -3.879 2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.973 -4.612 2.509 1.00 0.00 H new ATOM 77 N GLU A 5 -8.047 -4.896 5.775 1.00 0.00 N ATOM 78 CA GLU A 5 -6.597 -4.982 5.647 1.00 0.00 C ATOM 79 C GLU A 5 -6.207 -5.894 4.487 1.00 0.00 C ATOM 80 O GLU A 5 -6.562 -7.073 4.465 1.00 0.00 O ATOM 81 CB GLU A 5 -5.977 -5.497 6.947 1.00 0.00 C ATOM 82 CG GLU A 5 -4.495 -5.811 6.831 1.00 0.00 C ATOM 83 CD GLU A 5 -4.027 -6.807 7.874 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.283 -6.576 9.074 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.404 -7.820 7.490 1.00 0.00 O ATOM 0 H GLU A 5 -8.436 -5.448 6.539 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.216 -3.981 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.122 -4.752 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.507 -6.396 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.288 -6.207 5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.923 -4.889 6.932 1.00 0.00 H new ATOM 92 N ILE A 6 -5.475 -5.340 3.526 1.00 0.00 N ATOM 93 CA ILE A 6 -5.037 -6.103 2.365 1.00 0.00 C ATOM 94 C ILE A 6 -3.564 -6.481 2.479 1.00 0.00 C ATOM 95 O ILE A 6 -3.162 -7.579 2.095 1.00 0.00 O ATOM 96 CB ILE A 6 -5.253 -5.316 1.059 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.798 -3.865 1.232 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.715 -5.372 0.642 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.683 -3.108 -0.073 1.00 0.00 C ATOM 0 H ILE A 6 -5.173 -4.366 3.529 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.642 -7.009 2.338 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.654 -5.774 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.503 -3.347 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.831 -3.853 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.851 -4.811 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.009 -6.410 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.334 -4.935 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.356 -2.087 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.956 -3.603 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.654 -3.088 -0.569 1.00 0.00 H new ATOM 111 N GLY A 7 -2.763 -5.564 3.013 1.00 0.00 N ATOM 112 CA GLY A 7 -1.343 -5.820 3.171 1.00 0.00 C ATOM 113 C GLY A 7 -0.712 -4.949 4.239 1.00 0.00 C ATOM 114 O GLY A 7 -1.382 -4.111 4.842 1.00 0.00 O ATOM 0 H GLY A 7 -3.072 -4.648 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.192 -6.869 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.838 -5.647 2.221 1.00 0.00 H new ATOM 118 N ARG A 8 0.581 -5.148 4.475 1.00 0.00 N ATOM 119 CA ARG A 8 1.302 -4.376 5.480 1.00 0.00 C ATOM 120 C ARG A 8 2.689 -3.988 4.975 1.00 0.00 C ATOM 121 O ARG A 8 3.310 -4.725 4.209 1.00 0.00 O ATOM 122 CB ARG A 8 1.424 -5.176 6.778 1.00 0.00 C ATOM 123 CG ARG A 8 2.158 -4.434 7.883 1.00 0.00 C ATOM 124 CD ARG A 8 3.653 -4.708 7.841 1.00 0.00 C ATOM 125 NE ARG A 8 3.985 -6.019 8.393 1.00 0.00 N ATOM 126 CZ ARG A 8 5.206 -6.363 8.785 1.00 0.00 C ATOM 127 NH1 ARG A 8 6.206 -5.497 8.688 1.00 0.00 N ATOM 128 NH2 ARG A 8 5.430 -7.575 9.277 1.00 0.00 N ATOM 0 H ARG A 8 1.150 -5.837 3.984 1.00 0.00 H new ATOM 0 HA ARG A 8 0.738 -3.464 5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.426 -5.438 7.129 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.945 -6.111 6.571 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.980 -3.363 7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.759 -4.735 8.852 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.003 -4.649 6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.179 -3.935 8.401 1.00 0.00 H new ATOM 0 HE ARG A 8 3.238 -6.708 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.038 -4.564 8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.143 -5.764 8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.664 -8.244 9.354 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.369 -7.838 9.578 1.00 0.00 H new ATOM 142 N PHE A 9 3.168 -2.827 5.410 1.00 0.00 N ATOM 143 CA PHE A 9 4.480 -2.341 5.002 1.00 0.00 C ATOM 144 C PHE A 9 5.589 -3.070 5.756 1.00 0.00 C ATOM 145 O PHE A 9 5.611 -3.086 6.986 1.00 0.00 O ATOM 146 CB PHE A 9 4.588 -0.834 5.246 1.00 0.00 C ATOM 147 CG PHE A 9 3.625 -0.024 4.425 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.471 -0.271 3.071 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.875 0.984 5.009 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.586 0.474 2.313 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.988 1.732 4.257 1.00 0.00 C ATOM 152 CZ PHE A 9 1.843 1.475 2.907 1.00 0.00 C ATOM 0 H PHE A 9 2.667 -2.206 6.045 1.00 0.00 H new ATOM 0 HA PHE A 9 4.598 -2.539 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.412 -0.631 6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.605 -0.510 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.048 -1.054 2.602 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.984 1.188 6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.476 0.273 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.410 2.516 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.150 2.056 2.317 1.00 0.00 H new ATOM 162 N GLY A 10 6.508 -3.673 5.007 1.00 0.00 N ATOM 163 CA GLY A 10 7.607 -4.396 5.621 1.00 0.00 C ATOM 164 C GLY A 10 8.861 -3.553 5.739 1.00 0.00 C ATOM 165 O GLY A 10 9.176 -3.045 6.815 1.00 0.00 O ATOM 0 H GLY A 10 6.511 -3.674 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.306 -4.735 6.612 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.826 -5.287 5.032 1.00 0.00 H new ATOM 169 N ALA A 11 9.580 -3.405 4.631 1.00 0.00 N ATOM 170 CA ALA A 11 10.806 -2.618 4.616 1.00 0.00 C ATOM 171 C ALA A 11 10.745 -1.527 3.552 1.00 0.00 C ATOM 172 O ALA A 11 10.112 -1.680 2.507 1.00 0.00 O ATOM 173 CB ALA A 11 12.009 -3.520 4.381 1.00 0.00 C ATOM 0 H ALA A 11 9.334 -3.820 3.732 1.00 0.00 H new ATOM 0 HA ALA A 11 10.911 -2.136 5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.918 -2.919 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.071 -4.260 5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.901 -4.028 3.423 1.00 0.00 H new ATOM 179 N PRO A 12 11.418 -0.398 3.821 1.00 0.00 N ATOM 180 CA PRO A 12 11.455 0.740 2.899 1.00 0.00 C ATOM 181 C PRO A 12 12.265 0.442 1.642 1.00 0.00 C ATOM 182 O PRO A 12 13.474 0.218 1.709 1.00 0.00 O ATOM 183 CB PRO A 12 12.130 1.841 3.721 1.00 0.00 C ATOM 184 CG PRO A 12 12.951 1.112 4.728 1.00 0.00 C ATOM 185 CD PRO A 12 12.194 -0.147 5.047 1.00 0.00 C ATOM 0 HA PRO A 12 10.461 1.006 2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.750 2.481 3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.393 2.484 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.940 0.883 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.098 1.716 5.623 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.867 -0.974 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.546 -0.017 5.914 1.00 0.00 H new ATOM 193 N TYR A 13 11.592 0.441 0.497 1.00 0.00 N ATOM 194 CA TYR A 13 12.249 0.168 -0.776 1.00 0.00 C ATOM 195 C TYR A 13 13.459 1.077 -0.970 1.00 0.00 C ATOM 196 O TYR A 13 13.736 1.946 -0.143 1.00 0.00 O ATOM 197 CB TYR A 13 11.266 0.355 -1.932 1.00 0.00 C ATOM 198 CG TYR A 13 11.716 -0.296 -3.221 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.797 -1.679 -3.332 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.060 0.471 -4.327 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.208 -2.278 -4.507 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.470 -0.119 -5.506 1.00 0.00 C ATOM 203 CZ TYR A 13 12.543 -1.494 -5.591 1.00 0.00 C ATOM 204 OH TYR A 13 12.953 -2.087 -6.764 1.00 0.00 O ATOM 0 H TYR A 13 10.592 0.626 0.424 1.00 0.00 H new ATOM 0 HA TYR A 13 12.592 -0.866 -0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.298 -0.057 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.120 1.421 -2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.534 -2.296 -2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 13 12.006 1.548 -4.263 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.267 -3.354 -4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.732 0.492 -6.357 1.00 0.00 H new ATOM 0 HH TYR A 13 13.150 -1.395 -7.429 1.00 0.00 H new ATOM 214 N ALA A 14 14.177 0.869 -2.069 1.00 0.00 N ATOM 215 CA ALA A 14 15.355 1.671 -2.375 1.00 0.00 C ATOM 216 C ALA A 14 15.091 3.152 -2.128 1.00 0.00 C ATOM 217 O ALA A 14 13.942 3.596 -2.124 1.00 0.00 O ATOM 218 CB ALA A 14 15.789 1.443 -3.815 1.00 0.00 C ATOM 0 H ALA A 14 13.963 0.152 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 14 16.160 1.357 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.670 2.048 -4.030 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.028 0.390 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.980 1.728 -4.488 1.00 0.00 H new ATOM 224 N LEU A 15 16.160 3.913 -1.922 1.00 0.00 N ATOM 225 CA LEU A 15 16.044 5.345 -1.674 1.00 0.00 C ATOM 226 C LEU A 15 14.999 5.974 -2.590 1.00 0.00 C ATOM 227 O LEU A 15 14.368 6.970 -2.238 1.00 0.00 O ATOM 228 CB LEU A 15 17.397 6.030 -1.878 1.00 0.00 C ATOM 229 CG LEU A 15 18.614 5.291 -1.322 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.875 6.120 -1.512 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.409 4.957 0.149 1.00 0.00 C ATOM 0 H LEU A 15 17.118 3.562 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 15 15.726 5.485 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.547 6.183 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.355 7.017 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 15 18.731 4.358 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.731 5.578 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.031 6.308 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.769 7.070 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.285 4.431 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.265 5.878 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.529 4.323 0.259 1.00 0.00 H new ATOM 243 N LYS A 16 14.821 5.384 -3.767 1.00 0.00 N ATOM 244 CA LYS A 16 13.850 5.883 -4.734 1.00 0.00 C ATOM 245 C LYS A 16 12.617 6.439 -4.030 1.00 0.00 C ATOM 246 O LYS A 16 11.993 7.387 -4.506 1.00 0.00 O ATOM 247 CB LYS A 16 13.441 4.767 -5.698 1.00 0.00 C ATOM 248 CG LYS A 16 14.505 4.432 -6.729 1.00 0.00 C ATOM 249 CD LYS A 16 14.632 5.527 -7.775 1.00 0.00 C ATOM 250 CE LYS A 16 15.952 5.432 -8.524 1.00 0.00 C ATOM 251 NZ LYS A 16 17.083 5.985 -7.728 1.00 0.00 N ATOM 0 H LYS A 16 15.337 4.559 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 16 14.318 6.689 -5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.208 3.870 -5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.527 5.061 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.464 4.291 -6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.257 3.489 -7.216 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.805 5.454 -8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.555 6.502 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.156 4.390 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.874 5.972 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.959 5.933 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.885 6.977 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.196 5.432 -6.855 1.00 0.00 H new ATOM 265 N GLY A 17 12.271 5.843 -2.893 1.00 0.00 N ATOM 266 CA GLY A 17 11.114 6.294 -2.141 1.00 0.00 C ATOM 267 C GLY A 17 9.985 5.283 -2.154 1.00 0.00 C ATOM 268 O GLY A 17 8.847 5.609 -1.819 1.00 0.00 O ATOM 0 H GLY A 17 12.771 5.056 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.409 6.492 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.759 7.237 -2.557 1.00 0.00 H new ATOM 272 N GLY A 18 10.299 4.051 -2.543 1.00 0.00 N ATOM 273 CA GLY A 18 9.291 3.009 -2.593 1.00 0.00 C ATOM 274 C GLY A 18 9.119 2.304 -1.262 1.00 0.00 C ATOM 275 O GLY A 18 10.021 2.317 -0.423 1.00 0.00 O ATOM 0 H GLY A 18 11.234 3.756 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.338 3.444 -2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.565 2.279 -3.355 1.00 0.00 H new ATOM 279 N LEU A 19 7.959 1.688 -1.066 1.00 0.00 N ATOM 280 CA LEU A 19 7.671 0.975 0.174 1.00 0.00 C ATOM 281 C LEU A 19 7.170 -0.437 -0.114 1.00 0.00 C ATOM 282 O LEU A 19 6.206 -0.625 -0.856 1.00 0.00 O ATOM 283 CB LEU A 19 6.632 1.740 0.995 1.00 0.00 C ATOM 284 CG LEU A 19 7.151 2.947 1.778 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.994 3.801 2.270 1.00 0.00 C ATOM 286 CD2 LEU A 19 8.016 2.494 2.944 1.00 0.00 C ATOM 0 H LEU A 19 7.202 1.668 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 19 8.596 0.903 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.845 2.080 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.172 1.046 1.699 1.00 0.00 H new ATOM 0 HG LEU A 19 7.764 3.553 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.382 4.655 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.415 4.155 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.354 3.206 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.377 3.366 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.426 1.866 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.866 1.925 2.567 1.00 0.00 H new ATOM 298 N ARG A 20 7.830 -1.426 0.481 1.00 0.00 N ATOM 299 CA ARG A 20 7.450 -2.820 0.290 1.00 0.00 C ATOM 300 C ARG A 20 6.090 -3.105 0.920 1.00 0.00 C ATOM 301 O ARG A 20 5.969 -3.208 2.140 1.00 0.00 O ATOM 302 CB ARG A 20 8.508 -3.746 0.894 1.00 0.00 C ATOM 303 CG ARG A 20 9.820 -3.755 0.126 1.00 0.00 C ATOM 304 CD ARG A 20 10.635 -5.003 0.430 1.00 0.00 C ATOM 305 NE ARG A 20 11.466 -5.402 -0.703 1.00 0.00 N ATOM 306 CZ ARG A 20 12.486 -4.683 -1.156 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.799 -3.532 -0.576 1.00 0.00 N ATOM 308 NH2 ARG A 20 13.195 -5.113 -2.191 1.00 0.00 N ATOM 0 H ARG A 20 8.630 -1.287 1.099 1.00 0.00 H new ATOM 0 HA ARG A 20 7.381 -3.008 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.701 -3.441 1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.112 -4.761 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.617 -3.703 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.400 -2.869 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.269 -4.820 1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.963 -5.820 0.693 1.00 0.00 H new ATOM 0 HE ARG A 20 11.251 -6.282 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.256 -3.198 0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.583 -2.981 -0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.957 -5.997 -2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.978 -4.559 -2.538 1.00 0.00 H new ATOM 322 N PHE A 21 5.069 -3.231 0.078 1.00 0.00 N ATOM 323 CA PHE A 21 3.717 -3.503 0.552 1.00 0.00 C ATOM 324 C PHE A 21 3.311 -4.941 0.244 1.00 0.00 C ATOM 325 O PHE A 21 3.078 -5.298 -0.911 1.00 0.00 O ATOM 326 CB PHE A 21 2.724 -2.532 -0.090 1.00 0.00 C ATOM 327 CG PHE A 21 1.297 -2.995 -0.013 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.557 -2.809 1.143 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.697 -3.617 -1.096 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.757 -3.234 1.218 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.616 -4.043 -1.027 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.343 -3.853 0.131 1.00 0.00 C ATOM 0 H PHE A 21 5.152 -3.149 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 21 3.703 -3.364 1.633 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.809 -1.562 0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.995 -2.387 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.011 -2.326 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.261 -3.771 -2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.324 -3.082 2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.073 -4.524 -1.879 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.368 -4.188 0.187 1.00 0.00 H new ATOM 342 N ARG A 22 3.230 -5.763 1.286 1.00 0.00 N ATOM 343 CA ARG A 22 2.854 -7.162 1.127 1.00 0.00 C ATOM 344 C ARG A 22 1.374 -7.366 1.435 1.00 0.00 C ATOM 345 O ARG A 22 0.983 -7.502 2.594 1.00 0.00 O ATOM 346 CB ARG A 22 3.703 -8.047 2.042 1.00 0.00 C ATOM 347 CG ARG A 22 3.774 -9.497 1.593 1.00 0.00 C ATOM 348 CD ARG A 22 2.457 -10.219 1.833 1.00 0.00 C ATOM 349 NE ARG A 22 2.641 -11.661 1.974 1.00 0.00 N ATOM 350 CZ ARG A 22 2.998 -12.249 3.110 1.00 0.00 C ATOM 351 NH1 ARG A 22 3.208 -11.521 4.199 1.00 0.00 N ATOM 352 NH2 ARG A 22 3.146 -13.566 3.160 1.00 0.00 N ATOM 0 H ARG A 22 3.420 -5.484 2.249 1.00 0.00 H new ATOM 0 HA ARG A 22 3.034 -7.445 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.713 -7.641 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.295 -8.008 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.026 -9.539 0.533 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.573 -10.007 2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.986 -9.824 2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.778 -10.020 1.004 1.00 0.00 H new ATOM 0 HE ARG A 22 2.487 -12.249 1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.095 -10.508 4.165 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.482 -11.974 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.986 -14.129 2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.420 -14.016 4.034 1.00 0.00 H new ATOM 366 N GLY A 23 0.554 -7.386 0.389 1.00 0.00 N ATOM 367 CA GLY A 23 -0.874 -7.572 0.568 1.00 0.00 C ATOM 368 C GLY A 23 -1.487 -8.434 -0.518 1.00 0.00 C ATOM 369 O GLY A 23 -0.815 -8.801 -1.480 1.00 0.00 O ATOM 0 H GLY A 23 0.853 -7.277 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.059 -8.031 1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.366 -6.599 0.576 1.00 0.00 H new ATOM 373 N GLU A 24 -2.767 -8.757 -0.362 1.00 0.00 N ATOM 374 CA GLU A 24 -3.469 -9.583 -1.338 1.00 0.00 C ATOM 375 C GLU A 24 -3.237 -9.068 -2.755 1.00 0.00 C ATOM 376 O GLU A 24 -2.947 -7.892 -2.975 1.00 0.00 O ATOM 377 CB GLU A 24 -4.969 -9.609 -1.032 1.00 0.00 C ATOM 378 CG GLU A 24 -5.321 -10.387 0.224 1.00 0.00 C ATOM 379 CD GLU A 24 -5.532 -11.864 -0.045 1.00 0.00 C ATOM 380 OE1 GLU A 24 -4.621 -12.500 -0.616 1.00 0.00 O ATOM 381 OE2 GLU A 24 -6.608 -12.385 0.317 1.00 0.00 O ATOM 0 H GLU A 24 -3.338 -8.460 0.429 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.073 -10.596 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.328 -8.585 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.497 -10.046 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.524 -10.265 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.226 -9.969 0.664 1.00 0.00 H new ATOM 388 N PRO A 25 -3.365 -9.969 -3.740 1.00 0.00 N ATOM 389 CA PRO A 25 -3.173 -9.630 -5.153 1.00 0.00 C ATOM 390 C PRO A 25 -4.286 -8.737 -5.692 1.00 0.00 C ATOM 391 O PRO A 25 -4.150 -8.130 -6.754 1.00 0.00 O ATOM 392 CB PRO A 25 -3.196 -10.992 -5.851 1.00 0.00 C ATOM 393 CG PRO A 25 -3.993 -11.868 -4.947 1.00 0.00 C ATOM 394 CD PRO A 25 -3.709 -11.389 -3.551 1.00 0.00 C ATOM 0 HA PRO A 25 -2.254 -9.068 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.652 -10.923 -6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.188 -11.382 -5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.057 -11.799 -5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.709 -12.914 -5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.576 -11.509 -2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.889 -11.944 -3.095 1.00 0.00 H new ATOM 402 N VAL A 26 -5.388 -8.662 -4.952 1.00 0.00 N ATOM 403 CA VAL A 26 -6.524 -7.842 -5.355 1.00 0.00 C ATOM 404 C VAL A 26 -6.171 -6.359 -5.323 1.00 0.00 C ATOM 405 O VAL A 26 -6.911 -5.522 -5.840 1.00 0.00 O ATOM 406 CB VAL A 26 -7.743 -8.087 -4.446 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.453 -7.625 -3.026 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.973 -7.385 -5.003 1.00 0.00 C ATOM 0 H VAL A 26 -5.518 -9.159 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.776 -8.131 -6.375 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.944 -9.158 -4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.326 -7.806 -2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.601 -8.178 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.224 -6.559 -3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.825 -7.569 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.785 -6.313 -5.061 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.192 -7.770 -5.999 1.00 0.00 H new ATOM 418 N VAL A 27 -5.033 -6.041 -4.713 1.00 0.00 N ATOM 419 CA VAL A 27 -4.579 -4.658 -4.615 1.00 0.00 C ATOM 420 C VAL A 27 -4.226 -4.098 -5.987 1.00 0.00 C ATOM 421 O VAL A 27 -4.049 -2.889 -6.150 1.00 0.00 O ATOM 422 CB VAL A 27 -3.354 -4.535 -3.690 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.141 -5.203 -4.319 1.00 0.00 C ATOM 424 CG2 VAL A 27 -3.067 -3.073 -3.379 1.00 0.00 C ATOM 0 H VAL A 27 -4.409 -6.722 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.403 -4.082 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.575 -5.046 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.285 -5.106 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.353 -6.259 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.914 -4.723 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.198 -3.004 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.866 -2.536 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.931 -2.630 -2.883 1.00 0.00 H new ATOM 434 N LEU A 28 -4.124 -4.982 -6.973 1.00 0.00 N ATOM 435 CA LEU A 28 -3.792 -4.576 -8.334 1.00 0.00 C ATOM 436 C LEU A 28 -4.988 -3.918 -9.014 1.00 0.00 C ATOM 437 O LEU A 28 -4.910 -3.508 -10.173 1.00 0.00 O ATOM 438 CB LEU A 28 -3.328 -5.784 -9.150 1.00 0.00 C ATOM 439 CG LEU A 28 -2.147 -6.567 -8.576 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.689 -7.637 -9.556 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.999 -5.628 -8.236 1.00 0.00 C ATOM 0 H LEU A 28 -4.266 -5.985 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.982 -3.848 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.170 -6.466 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.060 -5.441 -10.149 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.473 -7.058 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.848 -8.184 -9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.510 -8.327 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.381 -7.167 -10.490 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.167 -6.203 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.674 -5.109 -9.138 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.332 -4.899 -7.498 1.00 0.00 H new ATOM 453 N HIS A 29 -6.096 -3.818 -8.285 1.00 0.00 N ATOM 454 CA HIS A 29 -7.309 -3.207 -8.817 1.00 0.00 C ATOM 455 C HIS A 29 -7.692 -1.970 -8.011 1.00 0.00 C ATOM 456 O HIS A 29 -8.803 -1.453 -8.137 1.00 0.00 O ATOM 457 CB HIS A 29 -8.459 -4.214 -8.805 1.00 0.00 C ATOM 458 CG HIS A 29 -8.377 -5.229 -9.904 1.00 0.00 C ATOM 459 ND1 HIS A 29 -9.108 -5.137 -11.069 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.644 -6.362 -10.009 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.829 -6.170 -11.844 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.943 -6.929 -11.224 1.00 0.00 N ATOM 0 H HIS A 29 -6.178 -4.152 -7.325 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.113 -2.903 -9.845 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.469 -4.730 -7.845 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.403 -3.676 -8.888 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.953 -6.748 -9.274 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.253 -6.361 -12.819 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.546 -7.795 -11.588 1.00 0.00 H new ATOM 470 N LEU A 30 -6.767 -1.500 -7.181 1.00 0.00 N ATOM 471 CA LEU A 30 -7.008 -0.323 -6.353 1.00 0.00 C ATOM 472 C LEU A 30 -6.280 0.895 -6.913 1.00 0.00 C ATOM 473 O LEU A 30 -5.448 0.773 -7.811 1.00 0.00 O ATOM 474 CB LEU A 30 -6.556 -0.586 -4.916 1.00 0.00 C ATOM 475 CG LEU A 30 -7.433 -1.536 -4.099 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.733 -1.930 -2.807 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.781 -0.896 -3.804 1.00 0.00 C ATOM 0 H LEU A 30 -5.843 -1.916 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.078 -0.117 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.544 -0.991 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.504 0.369 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.603 -2.439 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.372 -2.606 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.793 -2.430 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.532 -1.037 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.392 -1.586 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.631 0.023 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.287 -0.665 -4.741 1.00 0.00 H new ATOM 489 N GLU A 31 -6.598 2.067 -6.374 1.00 0.00 N ATOM 490 CA GLU A 31 -5.973 3.307 -6.820 1.00 0.00 C ATOM 491 C GLU A 31 -5.389 4.077 -5.639 1.00 0.00 C ATOM 492 O GLU A 31 -4.376 4.764 -5.772 1.00 0.00 O ATOM 493 CB GLU A 31 -6.989 4.180 -7.559 1.00 0.00 C ATOM 494 CG GLU A 31 -6.594 5.645 -7.631 1.00 0.00 C ATOM 495 CD GLU A 31 -7.190 6.351 -8.834 1.00 0.00 C ATOM 496 OE1 GLU A 31 -6.766 6.048 -9.969 1.00 0.00 O ATOM 497 OE2 GLU A 31 -8.079 7.206 -8.641 1.00 0.00 O ATOM 0 H GLU A 31 -7.284 2.184 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.162 3.050 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.117 3.797 -8.571 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.956 4.097 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.918 6.150 -6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.507 5.723 -7.670 1.00 0.00 H new ATOM 504 N ARG A 32 -6.034 3.956 -4.483 1.00 0.00 N ATOM 505 CA ARG A 32 -5.581 4.641 -3.279 1.00 0.00 C ATOM 506 C ARG A 32 -5.465 3.667 -2.110 1.00 0.00 C ATOM 507 O ARG A 32 -6.007 2.562 -2.153 1.00 0.00 O ATOM 508 CB ARG A 32 -6.542 5.775 -2.919 1.00 0.00 C ATOM 509 CG ARG A 32 -7.809 5.302 -2.224 1.00 0.00 C ATOM 510 CD ARG A 32 -8.539 6.454 -1.553 1.00 0.00 C ATOM 511 NE ARG A 32 -9.277 7.268 -2.515 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.220 8.139 -2.170 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.537 8.307 -0.894 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.847 8.843 -3.104 1.00 0.00 N ATOM 0 H ARG A 32 -6.872 3.389 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.595 5.060 -3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.027 6.485 -2.273 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.815 6.311 -3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.468 4.826 -2.950 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.557 4.547 -1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.229 6.060 -0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.820 7.080 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.057 7.162 -3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.057 7.767 -0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.261 8.976 -0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.605 8.716 -4.087 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.571 9.511 -2.839 1.00 0.00 H new ATOM 528 N VAL A 33 -4.755 4.084 -1.067 1.00 0.00 N ATOM 529 CA VAL A 33 -4.568 3.249 0.114 1.00 0.00 C ATOM 530 C VAL A 33 -4.806 4.045 1.392 1.00 0.00 C ATOM 531 O VAL A 33 -5.026 5.256 1.351 1.00 0.00 O ATOM 532 CB VAL A 33 -3.153 2.644 0.155 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.024 1.518 -0.860 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.106 3.719 -0.094 1.00 0.00 C ATOM 0 H VAL A 33 -4.300 4.995 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.298 2.442 0.050 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.984 2.228 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.017 1.103 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.749 0.737 -0.631 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.213 1.907 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.112 3.273 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.271 4.167 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.184 4.488 0.675 1.00 0.00 H new ATOM 544 N TYR A 34 -4.760 3.357 2.528 1.00 0.00 N ATOM 545 CA TYR A 34 -4.972 3.999 3.819 1.00 0.00 C ATOM 546 C TYR A 34 -3.863 3.629 4.800 1.00 0.00 C ATOM 547 O TYR A 34 -3.677 2.459 5.132 1.00 0.00 O ATOM 548 CB TYR A 34 -6.331 3.598 4.395 1.00 0.00 C ATOM 549 CG TYR A 34 -6.568 4.105 5.799 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.880 5.209 6.285 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.482 3.481 6.639 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.092 5.676 7.568 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.703 3.941 7.923 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.005 5.039 8.383 1.00 0.00 C ATOM 555 OH TYR A 34 -7.221 5.501 9.661 1.00 0.00 O ATOM 0 H TYR A 34 -4.578 2.355 2.580 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.953 5.078 3.667 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.118 3.977 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.411 2.511 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.166 5.712 5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.029 2.621 6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.546 6.535 7.931 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.418 3.444 8.563 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.895 4.942 10.101 1.00 0.00 H new ATOM 565 N VAL A 35 -3.130 4.638 5.261 1.00 0.00 N ATOM 566 CA VAL A 35 -2.040 4.421 6.206 1.00 0.00 C ATOM 567 C VAL A 35 -2.557 4.369 7.639 1.00 0.00 C ATOM 568 O VAL A 35 -2.737 5.403 8.282 1.00 0.00 O ATOM 569 CB VAL A 35 -0.974 5.527 6.096 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.199 5.232 7.017 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.508 5.676 4.655 1.00 0.00 C ATOM 0 H VAL A 35 -3.271 5.613 4.996 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.587 3.463 5.952 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.421 6.471 6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.942 6.024 6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.152 5.181 8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.649 4.279 6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.245 6.462 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.078 4.735 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.357 5.938 4.023 1.00 0.00 H new ATOM 581 N GLU A 36 -2.795 3.158 8.133 1.00 0.00 N ATOM 582 CA GLU A 36 -3.291 2.972 9.491 1.00 0.00 C ATOM 583 C GLU A 36 -2.317 3.553 10.512 1.00 0.00 C ATOM 584 O GLU A 36 -1.314 2.928 10.854 1.00 0.00 O ATOM 585 CB GLU A 36 -3.519 1.486 9.776 1.00 0.00 C ATOM 586 CG GLU A 36 -3.988 1.202 11.193 1.00 0.00 C ATOM 587 CD GLU A 36 -5.499 1.222 11.323 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.185 1.173 10.281 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.994 1.286 12.467 1.00 0.00 O ATOM 0 H GLU A 36 -2.652 2.292 7.613 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.240 3.501 9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.258 1.099 9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.591 0.943 9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.613 0.228 11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.559 1.942 11.869 1.00 0.00 H new ATOM 596 N GLY A 37 -2.619 4.755 10.994 1.00 0.00 N ATOM 597 CA GLY A 37 -1.761 5.400 11.969 1.00 0.00 C ATOM 598 C GLY A 37 -1.681 6.901 11.768 1.00 0.00 C ATOM 599 O GLY A 37 -1.706 7.666 12.733 1.00 0.00 O ATOM 0 H GLY A 37 -3.443 5.293 10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.134 5.190 12.972 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.760 4.974 11.905 1.00 0.00 H new ATOM 603 N HIS A 38 -1.583 7.324 10.512 1.00 0.00 N ATOM 604 CA HIS A 38 -1.498 8.743 10.187 1.00 0.00 C ATOM 605 C HIS A 38 -2.738 9.201 9.425 1.00 0.00 C ATOM 606 O HIS A 38 -3.636 9.820 9.995 1.00 0.00 O ATOM 607 CB HIS A 38 -0.244 9.025 9.360 1.00 0.00 C ATOM 608 CG HIS A 38 1.032 8.820 10.118 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.229 9.394 9.745 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.292 8.102 11.235 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.171 9.036 10.599 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.629 8.252 11.513 1.00 0.00 N ATOM 0 H HIS A 38 -1.560 6.704 9.702 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.440 9.301 11.121 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.244 8.378 8.483 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.281 10.052 8.998 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.581 7.520 11.802 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.208 9.334 10.557 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.123 7.827 12.298 1.00 0.00 H new ATOM 620 N GLY A 39 -2.779 8.894 8.132 1.00 0.00 N ATOM 621 CA GLY A 39 -3.912 9.283 7.312 1.00 0.00 C ATOM 622 C GLY A 39 -4.000 8.483 6.028 1.00 0.00 C ATOM 623 O GLY A 39 -3.173 7.607 5.776 1.00 0.00 O ATOM 0 H GLY A 39 -2.048 8.383 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.832 9.151 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.835 10.343 7.071 1.00 0.00 H new ATOM 627 N TRP A 40 -5.005 8.784 5.213 1.00 0.00 N ATOM 628 CA TRP A 40 -5.199 8.086 3.948 1.00 0.00 C ATOM 629 C TRP A 40 -4.216 8.585 2.894 1.00 0.00 C ATOM 630 O TRP A 40 -3.900 9.774 2.841 1.00 0.00 O ATOM 631 CB TRP A 40 -6.634 8.272 3.453 1.00 0.00 C ATOM 632 CG TRP A 40 -7.588 7.255 4.003 1.00 0.00 C ATOM 633 CD1 TRP A 40 -8.123 7.229 5.259 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.119 6.117 3.315 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.954 6.143 5.394 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.969 5.446 4.215 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.959 5.602 2.026 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.655 4.286 3.865 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.641 4.450 1.680 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.481 3.803 2.596 1.00 0.00 C ATOM 0 H TRP A 40 -5.698 9.507 5.406 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.015 7.025 4.116 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.979 9.269 3.727 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.645 8.219 2.364 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.922 7.955 6.033 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.475 5.896 6.235 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.314 6.095 1.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.302 3.785 4.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.524 4.042 0.687 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.001 2.906 2.295 1.00 0.00 H new ATOM 651 N ARG A 41 -3.736 7.670 2.058 1.00 0.00 N ATOM 652 CA ARG A 41 -2.788 8.019 1.007 1.00 0.00 C ATOM 653 C ARG A 41 -3.232 7.449 -0.337 1.00 0.00 C ATOM 654 O ARG A 41 -4.146 6.627 -0.402 1.00 0.00 O ATOM 655 CB ARG A 41 -1.392 7.500 1.356 1.00 0.00 C ATOM 656 CG ARG A 41 -0.667 8.349 2.387 1.00 0.00 C ATOM 657 CD ARG A 41 -0.100 9.616 1.766 1.00 0.00 C ATOM 658 NE ARG A 41 0.604 10.439 2.746 1.00 0.00 N ATOM 659 CZ ARG A 41 -0.003 11.305 3.550 1.00 0.00 C ATOM 660 NH1 ARG A 41 -1.318 11.460 3.491 1.00 0.00 N ATOM 661 NH2 ARG A 41 0.706 12.018 4.416 1.00 0.00 N ATOM 0 H ARG A 41 -3.988 6.682 2.088 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.755 9.106 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.476 6.480 1.732 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.792 7.456 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.354 8.613 3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.140 7.769 2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.583 9.350 0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.909 10.195 1.321 1.00 0.00 H new ATOM 0 HE ARG A 41 1.617 10.344 2.817 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.867 10.914 2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.781 12.126 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.718 11.901 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.239 12.683 5.033 1.00 0.00 H new ATOM 675 N ALA A 42 -2.580 7.892 -1.407 1.00 0.00 N ATOM 676 CA ALA A 42 -2.907 7.425 -2.748 1.00 0.00 C ATOM 677 C ALA A 42 -1.728 6.691 -3.377 1.00 0.00 C ATOM 678 O ALA A 42 -0.570 7.002 -3.096 1.00 0.00 O ATOM 679 CB ALA A 42 -3.331 8.594 -3.625 1.00 0.00 C ATOM 0 H ALA A 42 -1.822 8.574 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.738 6.724 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.572 8.231 -4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.208 9.074 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.516 9.316 -3.688 1.00 0.00 H new ATOM 685 N ILE A 43 -2.029 5.715 -4.227 1.00 0.00 N ATOM 686 CA ILE A 43 -0.993 4.937 -4.894 1.00 0.00 C ATOM 687 C ILE A 43 -0.605 5.568 -6.227 1.00 0.00 C ATOM 688 O ILE A 43 -1.467 5.981 -7.003 1.00 0.00 O ATOM 689 CB ILE A 43 -1.448 3.486 -5.139 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.790 2.806 -3.812 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.367 2.709 -5.875 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.171 1.349 -3.960 1.00 0.00 C ATOM 0 H ILE A 43 -2.982 5.444 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.127 4.931 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.344 3.501 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.933 2.883 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.613 3.342 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.703 1.686 -6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.166 3.185 -6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.545 2.699 -5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.400 0.932 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.047 1.265 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.341 0.799 -4.403 1.00 0.00 H new ATOM 704 N GLU A 44 0.697 5.636 -6.487 1.00 0.00 N ATOM 705 CA GLU A 44 1.198 6.216 -7.728 1.00 0.00 C ATOM 706 C GLU A 44 1.744 5.132 -8.653 1.00 0.00 C ATOM 707 O GLU A 44 1.486 5.141 -9.857 1.00 0.00 O ATOM 708 CB GLU A 44 2.290 7.246 -7.431 1.00 0.00 C ATOM 709 CG GLU A 44 1.749 8.600 -7.001 1.00 0.00 C ATOM 710 CD GLU A 44 1.458 9.512 -8.177 1.00 0.00 C ATOM 711 OE1 GLU A 44 2.399 10.178 -8.657 1.00 0.00 O ATOM 712 OE2 GLU A 44 0.290 9.560 -8.617 1.00 0.00 O ATOM 0 H GLU A 44 1.423 5.297 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 44 0.367 6.712 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.940 6.858 -6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.906 7.376 -8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.836 8.456 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.470 9.083 -6.342 1.00 0.00 H new ATOM 719 N ASP A 45 2.500 4.201 -8.082 1.00 0.00 N ATOM 720 CA ASP A 45 3.083 3.110 -8.854 1.00 0.00 C ATOM 721 C ASP A 45 3.434 1.932 -7.950 1.00 0.00 C ATOM 722 O ASP A 45 3.960 2.114 -6.851 1.00 0.00 O ATOM 723 CB ASP A 45 4.332 3.591 -9.594 1.00 0.00 C ATOM 724 CG ASP A 45 4.568 2.831 -10.885 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.620 2.720 -11.689 1.00 0.00 O ATOM 726 OD2 ASP A 45 5.702 2.348 -11.090 1.00 0.00 O ATOM 0 H ASP A 45 2.724 4.180 -7.087 1.00 0.00 H new ATOM 0 HA ASP A 45 2.344 2.778 -9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.234 4.654 -9.814 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.201 3.479 -8.946 1.00 0.00 H new ATOM 731 N LEU A 46 3.139 0.725 -8.419 1.00 0.00 N ATOM 732 CA LEU A 46 3.422 -0.484 -7.653 1.00 0.00 C ATOM 733 C LEU A 46 3.634 -1.678 -8.579 1.00 0.00 C ATOM 734 O LEU A 46 3.161 -1.687 -9.715 1.00 0.00 O ATOM 735 CB LEU A 46 2.278 -0.775 -6.681 1.00 0.00 C ATOM 736 CG LEU A 46 1.042 -1.446 -7.280 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.271 -2.941 -7.442 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.181 -1.183 -6.414 1.00 0.00 C ATOM 0 H LEU A 46 2.704 0.557 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 46 4.339 -0.319 -7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.660 -1.410 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.970 0.165 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 46 0.863 -1.018 -8.266 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.380 -3.401 -7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.120 -3.109 -8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.477 -3.385 -6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.051 -1.668 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.012 -1.583 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.358 -0.109 -6.350 1.00 0.00 H new ATOM 750 N TYR A 47 4.347 -2.683 -8.084 1.00 0.00 N ATOM 751 CA TYR A 47 4.622 -3.883 -8.866 1.00 0.00 C ATOM 752 C TYR A 47 5.143 -5.007 -7.976 1.00 0.00 C ATOM 753 O TYR A 47 5.930 -4.773 -7.059 1.00 0.00 O ATOM 754 CB TYR A 47 5.640 -3.577 -9.967 1.00 0.00 C ATOM 755 CG TYR A 47 6.700 -2.581 -9.552 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.658 -2.912 -8.602 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.743 -1.310 -10.111 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.628 -2.005 -8.220 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.710 -0.397 -9.736 1.00 0.00 C ATOM 760 CZ TYR A 47 8.649 -0.749 -8.789 1.00 0.00 C ATOM 761 OH TYR A 47 9.614 0.156 -8.412 1.00 0.00 O ATOM 0 H TYR A 47 4.745 -2.691 -7.145 1.00 0.00 H new ATOM 0 HA TYR A 47 3.688 -4.209 -9.323 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.124 -4.505 -10.270 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.113 -3.192 -10.840 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.644 -3.895 -8.154 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.008 -1.031 -10.851 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.366 -2.278 -7.480 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.730 0.586 -10.182 1.00 0.00 H new ATOM 0 HH TYR A 47 9.258 0.741 -7.711 1.00 0.00 H new ATOM 771 N ARG A 48 4.697 -6.228 -8.254 1.00 0.00 N ATOM 772 CA ARG A 48 5.116 -7.389 -7.479 1.00 0.00 C ATOM 773 C ARG A 48 6.536 -7.806 -7.848 1.00 0.00 C ATOM 774 O ARG A 48 6.762 -8.425 -8.887 1.00 0.00 O ATOM 775 CB ARG A 48 4.154 -8.556 -7.709 1.00 0.00 C ATOM 776 CG ARG A 48 4.142 -9.061 -9.142 1.00 0.00 C ATOM 777 CD ARG A 48 2.863 -9.823 -9.454 1.00 0.00 C ATOM 778 NE ARG A 48 2.911 -11.198 -8.964 1.00 0.00 N ATOM 779 CZ ARG A 48 1.943 -12.085 -9.166 1.00 0.00 C ATOM 780 NH1 ARG A 48 0.857 -11.742 -9.845 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.061 -13.317 -8.689 1.00 0.00 N ATOM 0 H ARG A 48 4.046 -6.438 -9.010 1.00 0.00 H new ATOM 0 HA ARG A 48 5.099 -7.115 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.427 -9.377 -7.046 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.146 -8.245 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.241 -8.219 -9.827 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.003 -9.709 -9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.015 -9.307 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.698 -9.828 -10.531 1.00 0.00 H new ATOM 0 HE ARG A 48 3.733 -11.494 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.764 -10.795 -10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.115 -12.425 -9.999 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.895 -13.584 -8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.317 -13.998 -8.845 1.00 0.00 H new ATOM 795 N VAL A 49 7.491 -7.460 -6.990 1.00 0.00 N ATOM 796 CA VAL A 49 8.889 -7.799 -7.225 1.00 0.00 C ATOM 797 C VAL A 49 9.210 -9.198 -6.711 1.00 0.00 C ATOM 798 O VAL A 49 9.376 -9.406 -5.510 1.00 0.00 O ATOM 799 CB VAL A 49 9.833 -6.786 -6.550 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.286 -7.171 -6.785 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.557 -5.379 -7.058 1.00 0.00 C ATOM 0 H VAL A 49 7.321 -6.945 -6.126 1.00 0.00 H new ATOM 0 HA VAL A 49 9.045 -7.767 -8.303 1.00 0.00 H new ATOM 0 HB VAL A 49 9.647 -6.803 -5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.938 -6.444 -6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.472 -8.160 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.490 -7.185 -7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.233 -4.677 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.714 -5.344 -8.136 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.526 -5.106 -6.832 1.00 0.00 H new ATOM 811 N GLY A 50 9.297 -10.155 -7.630 1.00 0.00 N ATOM 812 CA GLY A 50 9.599 -11.522 -7.250 1.00 0.00 C ATOM 813 C GLY A 50 8.530 -12.126 -6.361 1.00 0.00 C ATOM 814 O GLY A 50 7.445 -12.467 -6.829 1.00 0.00 O ATOM 0 H GLY A 50 9.164 -10.008 -8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.707 -12.130 -8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.557 -11.548 -6.730 1.00 0.00 H new ATOM 818 N GLU A 51 8.839 -12.260 -5.075 1.00 0.00 N ATOM 819 CA GLU A 51 7.897 -12.830 -4.119 1.00 0.00 C ATOM 820 C GLU A 51 7.397 -11.765 -3.147 1.00 0.00 C ATOM 821 O GLU A 51 6.998 -12.073 -2.025 1.00 0.00 O ATOM 822 CB GLU A 51 8.552 -13.976 -3.344 1.00 0.00 C ATOM 823 CG GLU A 51 9.021 -15.118 -4.229 1.00 0.00 C ATOM 824 CD GLU A 51 9.568 -16.287 -3.432 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.661 -16.145 -2.845 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.902 -17.342 -3.396 1.00 0.00 O ATOM 0 H GLU A 51 9.734 -11.982 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 51 7.044 -13.218 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.403 -13.586 -2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.842 -14.362 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.190 -15.460 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.792 -14.754 -4.908 1.00 0.00 H new ATOM 833 N GLU A 52 7.424 -10.511 -3.587 1.00 0.00 N ATOM 834 CA GLU A 52 6.975 -9.400 -2.756 1.00 0.00 C ATOM 835 C GLU A 52 6.357 -8.297 -3.610 1.00 0.00 C ATOM 836 O GLU A 52 6.334 -8.385 -4.838 1.00 0.00 O ATOM 837 CB GLU A 52 8.143 -8.837 -1.944 1.00 0.00 C ATOM 838 CG GLU A 52 8.800 -9.861 -1.032 1.00 0.00 C ATOM 839 CD GLU A 52 9.667 -9.221 0.034 1.00 0.00 C ATOM 840 OE1 GLU A 52 10.812 -8.837 -0.285 1.00 0.00 O ATOM 841 OE2 GLU A 52 9.202 -9.103 1.187 1.00 0.00 O ATOM 0 H GLU A 52 7.752 -10.239 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 52 6.214 -9.776 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.892 -8.439 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.786 -8.002 -1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.028 -10.464 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.408 -10.539 -1.631 1.00 0.00 H new ATOM 848 N LEU A 53 5.856 -7.258 -2.951 1.00 0.00 N ATOM 849 CA LEU A 53 5.236 -6.136 -3.648 1.00 0.00 C ATOM 850 C LEU A 53 5.766 -4.807 -3.119 1.00 0.00 C ATOM 851 O LEU A 53 5.963 -4.639 -1.916 1.00 0.00 O ATOM 852 CB LEU A 53 3.716 -6.190 -3.492 1.00 0.00 C ATOM 853 CG LEU A 53 2.952 -6.914 -4.602 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.702 -7.577 -4.045 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.592 -5.946 -5.720 1.00 0.00 C ATOM 0 H LEU A 53 5.867 -7.169 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 53 5.489 -6.212 -4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.485 -6.675 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.341 -5.169 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 53 3.597 -7.690 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.172 -8.087 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.984 -8.301 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.053 -6.819 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.049 -6.478 -6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.966 -5.147 -5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.503 -5.518 -6.138 1.00 0.00 H new ATOM 867 N VAL A 54 5.993 -3.863 -4.027 1.00 0.00 N ATOM 868 CA VAL A 54 6.496 -2.547 -3.653 1.00 0.00 C ATOM 869 C VAL A 54 5.552 -1.444 -4.118 1.00 0.00 C ATOM 870 O VAL A 54 5.489 -1.127 -5.306 1.00 0.00 O ATOM 871 CB VAL A 54 7.896 -2.292 -4.243 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.405 -0.918 -3.837 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.865 -3.380 -3.805 1.00 0.00 C ATOM 0 H VAL A 54 5.836 -3.986 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 54 6.560 -2.531 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 54 7.823 -2.319 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.395 -0.756 -4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.722 -0.153 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.464 -0.858 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.849 -3.184 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.936 -3.388 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.506 -4.349 -4.152 1.00 0.00 H new ATOM 883 N VAL A 55 4.819 -0.862 -3.174 1.00 0.00 N ATOM 884 CA VAL A 55 3.879 0.207 -3.487 1.00 0.00 C ATOM 885 C VAL A 55 4.499 1.576 -3.232 1.00 0.00 C ATOM 886 O VAL A 55 5.153 1.794 -2.211 1.00 0.00 O ATOM 887 CB VAL A 55 2.587 0.078 -2.658 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.726 1.322 -2.815 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.816 -1.169 -3.064 1.00 0.00 C ATOM 0 H VAL A 55 4.858 -1.113 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 55 3.634 0.114 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 55 2.858 -0.017 -1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.818 1.213 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.281 2.195 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.461 1.451 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.906 -1.244 -2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.554 -1.107 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.435 -2.050 -2.895 1.00 0.00 H new ATOM 899 N HIS A 56 4.289 2.498 -4.166 1.00 0.00 N ATOM 900 CA HIS A 56 4.826 3.849 -4.043 1.00 0.00 C ATOM 901 C HIS A 56 3.718 4.847 -3.724 1.00 0.00 C ATOM 902 O HIS A 56 2.900 5.178 -4.583 1.00 0.00 O ATOM 903 CB HIS A 56 5.541 4.256 -5.331 1.00 0.00 C ATOM 904 CG HIS A 56 6.745 3.419 -5.639 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.036 3.891 -5.534 1.00 0.00 N ATOM 906 CD2 HIS A 56 6.847 2.133 -6.049 1.00 0.00 C ATOM 907 CE1 HIS A 56 8.881 2.932 -5.868 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.185 1.855 -6.185 1.00 0.00 N ATOM 0 H HIS A 56 3.751 2.334 -5.017 1.00 0.00 H new ATOM 0 HA HIS A 56 5.543 3.855 -3.222 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.840 4.189 -6.163 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.845 5.300 -5.254 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.298 4.833 -5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.029 1.453 -6.235 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.958 3.015 -5.880 1.00 0.00 H new ATOM 916 N LEU A 57 3.697 5.325 -2.484 1.00 0.00 N ATOM 917 CA LEU A 57 2.688 6.286 -2.052 1.00 0.00 C ATOM 918 C LEU A 57 3.045 7.695 -2.514 1.00 0.00 C ATOM 919 O LEU A 57 4.219 8.030 -2.668 1.00 0.00 O ATOM 920 CB LEU A 57 2.548 6.257 -0.529 1.00 0.00 C ATOM 921 CG LEU A 57 2.245 4.893 0.092 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.301 4.972 1.609 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.885 4.388 -0.368 1.00 0.00 C ATOM 0 H LEU A 57 4.367 5.063 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 57 1.737 6.005 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.472 6.635 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.754 6.948 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 57 3.005 4.187 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.083 3.992 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.297 5.288 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.564 5.693 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.686 3.416 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.113 5.095 -0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.881 4.291 -1.454 1.00 0.00 H new ATOM 935 N ALA A 58 2.024 8.517 -2.732 1.00 0.00 N ATOM 936 CA ALA A 58 2.229 9.891 -3.173 1.00 0.00 C ATOM 937 C ALA A 58 2.889 10.725 -2.080 1.00 0.00 C ATOM 938 O ALA A 58 2.493 10.667 -0.917 1.00 0.00 O ATOM 939 CB ALA A 58 0.906 10.515 -3.589 1.00 0.00 C ATOM 0 H ALA A 58 1.046 8.255 -2.610 1.00 0.00 H new ATOM 0 HA ALA A 58 2.897 9.874 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.075 11.541 -3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.474 9.940 -4.408 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.220 10.512 -2.742 1.00 0.00 H new ATOM 945 N GLY A 59 3.900 11.500 -2.462 1.00 0.00 N ATOM 946 CA GLY A 59 4.599 12.334 -1.502 1.00 0.00 C ATOM 947 C GLY A 59 5.893 11.707 -1.023 1.00 0.00 C ATOM 948 O GLY A 59 6.902 12.394 -0.861 1.00 0.00 O ATOM 0 H GLY A 59 4.247 11.565 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.814 13.302 -1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.950 12.519 -0.646 1.00 0.00 H new ATOM 952 N VAL A 60 5.865 10.398 -0.795 1.00 0.00 N ATOM 953 CA VAL A 60 7.045 9.678 -0.331 1.00 0.00 C ATOM 954 C VAL A 60 8.069 9.521 -1.450 1.00 0.00 C ATOM 955 O VAL A 60 7.922 8.668 -2.326 1.00 0.00 O ATOM 956 CB VAL A 60 6.675 8.284 0.210 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.922 7.536 0.655 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.679 8.404 1.354 1.00 0.00 C ATOM 0 H VAL A 60 5.038 9.815 -0.924 1.00 0.00 H new ATOM 0 HA VAL A 60 7.480 10.269 0.475 1.00 0.00 H new ATOM 0 HB VAL A 60 6.206 7.715 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.641 6.553 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.598 7.418 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.423 8.099 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.429 7.410 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.120 8.991 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.774 8.897 0.999 1.00 0.00 H new ATOM 968 N THR A 61 9.107 10.350 -1.416 1.00 0.00 N ATOM 969 CA THR A 61 10.155 10.305 -2.427 1.00 0.00 C ATOM 970 C THR A 61 11.534 10.196 -1.786 1.00 0.00 C ATOM 971 O THR A 61 12.554 10.392 -2.447 1.00 0.00 O ATOM 972 CB THR A 61 10.119 11.552 -3.330 1.00 0.00 C ATOM 973 OG1 THR A 61 10.260 12.736 -2.537 1.00 0.00 O ATOM 974 CG2 THR A 61 8.818 11.614 -4.116 1.00 0.00 C ATOM 0 H THR A 61 9.244 11.062 -0.698 1.00 0.00 H new ATOM 0 HA THR A 61 9.969 9.420 -3.035 1.00 0.00 H new ATOM 0 HB THR A 61 10.948 11.487 -4.035 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.238 13.524 -3.119 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.816 12.503 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.728 10.726 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.977 11.658 -3.424 1.00 0.00 H new ATOM 982 N ASP A 62 11.557 9.881 -0.495 1.00 0.00 N ATOM 983 CA ASP A 62 12.812 9.744 0.236 1.00 0.00 C ATOM 984 C ASP A 62 12.709 8.648 1.292 1.00 0.00 C ATOM 985 O ASP A 62 11.648 8.439 1.881 1.00 0.00 O ATOM 986 CB ASP A 62 13.190 11.071 0.895 1.00 0.00 C ATOM 987 CG ASP A 62 11.991 11.789 1.481 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.337 12.553 0.741 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.706 11.588 2.681 1.00 0.00 O ATOM 0 H ASP A 62 10.722 9.716 0.066 1.00 0.00 H new ATOM 0 HA ASP A 62 13.590 9.466 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.920 10.887 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.671 11.715 0.159 1.00 0.00 H new ATOM 994 N ARG A 63 13.816 7.952 1.526 1.00 0.00 N ATOM 995 CA ARG A 63 13.849 6.877 2.509 1.00 0.00 C ATOM 996 C ARG A 63 13.230 7.327 3.828 1.00 0.00 C ATOM 997 O ARG A 63 12.574 6.545 4.518 1.00 0.00 O ATOM 998 CB ARG A 63 15.289 6.413 2.741 1.00 0.00 C ATOM 999 CG ARG A 63 15.395 4.982 3.241 1.00 0.00 C ATOM 1000 CD ARG A 63 16.845 4.541 3.364 1.00 0.00 C ATOM 1001 NE ARG A 63 16.985 3.344 4.189 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.155 2.867 4.600 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.280 3.482 4.264 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.200 1.772 5.348 1.00 0.00 N ATOM 0 H ARG A 63 14.702 8.114 1.048 1.00 0.00 H new ATOM 0 HA ARG A 63 13.264 6.044 2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.846 6.505 1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.764 7.077 3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.904 4.897 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.868 4.317 2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.250 4.346 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.435 5.350 3.796 1.00 0.00 H new ATOM 0 HE ARG A 63 16.138 2.847 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.249 4.324 3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.177 3.114 4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.336 1.296 5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.098 1.406 5.663 1.00 0.00 H new ATOM 1018 N THR A 64 13.442 8.593 4.174 1.00 0.00 N ATOM 1019 CA THR A 64 12.906 9.147 5.411 1.00 0.00 C ATOM 1020 C THR A 64 11.386 9.039 5.449 1.00 0.00 C ATOM 1021 O THR A 64 10.823 8.341 6.294 1.00 0.00 O ATOM 1022 CB THR A 64 13.309 10.624 5.586 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.735 10.747 5.574 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.757 11.185 6.888 1.00 0.00 C ATOM 0 H THR A 64 13.981 9.254 3.615 1.00 0.00 H new ATOM 0 HA THR A 64 13.329 8.563 6.228 1.00 0.00 H new ATOM 0 HB THR A 64 12.889 11.193 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 64 14.983 11.689 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.054 12.229 6.990 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.669 11.117 6.881 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.151 10.612 7.727 1.00 0.00 H new ATOM 1032 N LEU A 65 10.725 9.733 4.529 1.00 0.00 N ATOM 1033 CA LEU A 65 9.268 9.715 4.457 1.00 0.00 C ATOM 1034 C LEU A 65 8.741 8.283 4.462 1.00 0.00 C ATOM 1035 O LEU A 65 7.758 7.976 5.136 1.00 0.00 O ATOM 1036 CB LEU A 65 8.791 10.442 3.198 1.00 0.00 C ATOM 1037 CG LEU A 65 8.872 11.968 3.234 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.821 12.538 1.825 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.748 12.543 4.084 1.00 0.00 C ATOM 0 H LEU A 65 11.175 10.315 3.823 1.00 0.00 H new ATOM 0 HA LEU A 65 8.878 10.229 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.380 10.087 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.756 10.157 3.008 1.00 0.00 H new ATOM 0 HG LEU A 65 9.823 12.251 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.880 13.625 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.660 12.153 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.886 12.245 1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.822 13.630 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.787 12.250 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.829 12.161 5.102 1.00 0.00 H new ATOM 1051 N ALA A 66 9.402 7.412 3.707 1.00 0.00 N ATOM 1052 CA ALA A 66 9.003 6.012 3.628 1.00 0.00 C ATOM 1053 C ALA A 66 9.108 5.334 4.990 1.00 0.00 C ATOM 1054 O ALA A 66 8.135 4.768 5.487 1.00 0.00 O ATOM 1055 CB ALA A 66 9.855 5.278 2.603 1.00 0.00 C ATOM 0 H ALA A 66 10.216 7.651 3.141 1.00 0.00 H new ATOM 0 HA ALA A 66 7.961 5.974 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.546 4.234 2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.726 5.741 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.904 5.333 2.895 1.00 0.00 H new ATOM 1061 N GLU A 67 10.294 5.394 5.586 1.00 0.00 N ATOM 1062 CA GLU A 67 10.525 4.783 6.890 1.00 0.00 C ATOM 1063 C GLU A 67 9.453 5.210 7.888 1.00 0.00 C ATOM 1064 O GLU A 67 9.023 4.421 8.729 1.00 0.00 O ATOM 1065 CB GLU A 67 11.910 5.164 7.419 1.00 0.00 C ATOM 1066 CG GLU A 67 13.028 4.283 6.887 1.00 0.00 C ATOM 1067 CD GLU A 67 14.253 4.293 7.780 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.563 5.361 8.349 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.902 3.235 7.910 1.00 0.00 O ATOM 0 H GLU A 67 11.110 5.859 5.187 1.00 0.00 H new ATOM 0 HA GLU A 67 10.475 3.701 6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.118 6.201 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.902 5.109 8.508 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.664 3.260 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.308 4.620 5.889 1.00 0.00 H new ATOM 1076 N ALA A 68 9.026 6.465 7.789 1.00 0.00 N ATOM 1077 CA ALA A 68 8.003 6.996 8.681 1.00 0.00 C ATOM 1078 C ALA A 68 6.693 6.229 8.534 1.00 0.00 C ATOM 1079 O ALA A 68 5.890 6.167 9.466 1.00 0.00 O ATOM 1080 CB ALA A 68 7.783 8.477 8.409 1.00 0.00 C ATOM 0 H ALA A 68 9.373 7.132 7.100 1.00 0.00 H new ATOM 0 HA ALA A 68 8.352 6.874 9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.016 8.861 9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.714 9.019 8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.461 8.613 7.377 1.00 0.00 H new ATOM 1086 N LEU A 69 6.483 5.647 7.358 1.00 0.00 N ATOM 1087 CA LEU A 69 5.269 4.884 7.089 1.00 0.00 C ATOM 1088 C LEU A 69 5.569 3.390 7.023 1.00 0.00 C ATOM 1089 O LEU A 69 4.796 2.615 6.458 1.00 0.00 O ATOM 1090 CB LEU A 69 4.633 5.347 5.777 1.00 0.00 C ATOM 1091 CG LEU A 69 4.118 6.786 5.752 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.702 7.180 4.343 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.956 6.954 6.720 1.00 0.00 C ATOM 0 H LEU A 69 7.137 5.689 6.576 1.00 0.00 H new ATOM 0 HA LEU A 69 4.570 5.060 7.906 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.367 5.231 4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.802 4.681 5.544 1.00 0.00 H new ATOM 0 HG LEU A 69 4.926 7.446 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.338 8.207 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.559 7.100 3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.910 6.515 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.602 7.985 6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.145 6.283 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.287 6.714 7.731 1.00 0.00 H new ATOM 1105 N VAL A 70 6.696 2.991 7.605 1.00 0.00 N ATOM 1106 CA VAL A 70 7.096 1.589 7.615 1.00 0.00 C ATOM 1107 C VAL A 70 6.634 0.895 8.892 1.00 0.00 C ATOM 1108 O VAL A 70 6.819 1.411 9.993 1.00 0.00 O ATOM 1109 CB VAL A 70 8.624 1.441 7.487 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.066 0.056 7.936 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.068 1.714 6.058 1.00 0.00 C ATOM 0 H VAL A 70 7.348 3.619 8.075 1.00 0.00 H new ATOM 0 HA VAL A 70 6.619 1.117 6.756 1.00 0.00 H new ATOM 0 HB VAL A 70 9.098 2.176 8.137 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.148 -0.030 7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.782 -0.097 8.977 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.585 -0.699 7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.150 1.605 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.586 1.004 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.786 2.729 5.777 1.00 0.00 H new ATOM 1121 N GLY A 71 6.032 -0.280 8.735 1.00 0.00 N ATOM 1122 CA GLY A 71 5.553 -1.027 9.884 1.00 0.00 C ATOM 1123 C GLY A 71 4.043 -0.994 10.008 1.00 0.00 C ATOM 1124 O GLY A 71 3.415 -2.007 10.317 1.00 0.00 O ATOM 0 H GLY A 71 5.867 -0.728 7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.885 -2.062 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.998 -0.618 10.791 1.00 0.00 H new ATOM 1128 N LEU A 72 3.457 0.175 9.769 1.00 0.00 N ATOM 1129 CA LEU A 72 2.010 0.337 9.858 1.00 0.00 C ATOM 1130 C LEU A 72 1.297 -0.593 8.882 1.00 0.00 C ATOM 1131 O LEU A 72 1.924 -1.189 8.005 1.00 0.00 O ATOM 1132 CB LEU A 72 1.622 1.789 9.572 1.00 0.00 C ATOM 1133 CG LEU A 72 2.098 2.824 10.592 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.764 4.231 10.121 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.476 2.555 11.955 1.00 0.00 C ATOM 0 H LEU A 72 3.962 1.024 9.512 1.00 0.00 H new ATOM 0 HA LEU A 72 1.701 0.077 10.870 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.017 2.064 8.594 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.536 1.847 9.505 1.00 0.00 H new ATOM 0 HG LEU A 72 3.181 2.742 10.686 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.110 4.954 10.860 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.257 4.422 9.168 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.685 4.327 9.998 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.826 3.301 12.668 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.390 2.609 11.877 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.766 1.562 12.298 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.018 -0.712 9.038 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.816 -1.568 8.170 1.00 0.00 C ATOM 1149 C ARG A 73 -1.658 -0.735 7.209 1.00 0.00 C ATOM 1150 O ARG A 73 -2.120 0.353 7.555 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.723 -2.473 9.006 1.00 0.00 C ATOM 1152 CG ARG A 73 -2.118 -1.871 10.345 1.00 0.00 C ATOM 1153 CD ARG A 73 -2.983 -2.826 11.152 1.00 0.00 C ATOM 1154 NE ARG A 73 -2.181 -3.779 11.914 1.00 0.00 N ATOM 1155 CZ ARG A 73 -2.640 -4.949 12.344 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -3.890 -5.309 12.086 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -1.849 -5.763 13.031 1.00 0.00 N ATOM 0 H ARG A 73 -0.553 -0.226 9.758 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.135 -2.186 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.626 -2.694 8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.215 -3.422 9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.221 -1.623 10.912 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.659 -0.939 10.181 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.614 -2.256 11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.649 -3.368 10.480 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.215 -3.533 12.128 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.501 -4.687 11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.241 -6.208 12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.886 -5.491 13.230 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.204 -6.661 13.360 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.853 -1.252 6.000 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.640 -0.556 4.989 1.00 0.00 C ATOM 1173 C VAL A 74 -4.038 -1.153 4.873 1.00 0.00 C ATOM 1174 O VAL A 74 -4.217 -2.366 4.981 1.00 0.00 O ATOM 1175 CB VAL A 74 -1.955 -0.610 3.610 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.542 0.441 2.681 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.452 -0.426 3.755 1.00 0.00 C ATOM 0 H VAL A 74 -1.477 -2.150 5.697 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.717 0.483 5.308 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.137 -1.591 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.046 0.388 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.609 0.258 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.392 1.431 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.016 -0.467 2.771 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.246 0.541 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.047 -1.220 4.383 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.026 -0.293 4.652 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.409 -0.735 4.523 1.00 0.00 C ATOM 1189 C TYR A 75 -6.966 -0.388 3.146 1.00 0.00 C ATOM 1190 O TYR A 75 -6.470 0.516 2.473 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.274 -0.095 5.611 1.00 0.00 C ATOM 1192 CG TYR A 75 -6.976 -0.609 7.001 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.700 -0.507 7.542 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -7.970 -1.195 7.775 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.423 -0.976 8.812 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.702 -1.665 9.046 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.427 -1.554 9.560 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.156 -2.020 10.826 1.00 0.00 O ATOM 0 H TYR A 75 -4.895 0.714 4.558 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.430 -1.818 4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.126 0.985 5.593 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.324 -0.277 5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.911 -0.053 6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.970 -1.285 7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.425 -0.890 9.217 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.487 -2.117 9.634 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.972 -2.397 11.218 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.001 -1.113 2.733 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.628 -0.881 1.438 1.00 0.00 C ATOM 1210 C ALA A 76 -10.102 -0.527 1.598 1.00 0.00 C ATOM 1211 O ALA A 76 -10.697 -0.768 2.647 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.471 -2.106 0.549 1.00 0.00 C ATOM 0 H ALA A 76 -8.423 -1.866 3.277 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.127 -0.036 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.944 -1.919 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.411 -2.314 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.945 -2.964 1.025 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.685 0.047 0.550 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.090 0.436 0.576 1.00 0.00 C ATOM 1220 C GLU A 77 -12.884 -0.321 -0.485 1.00 0.00 C ATOM 1221 O GLU A 77 -12.587 -0.237 -1.677 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.230 1.943 0.353 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.501 2.531 0.942 1.00 0.00 C ATOM 1224 CD GLU A 77 -13.826 3.901 0.380 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -12.915 4.541 -0.186 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.990 4.334 0.506 1.00 0.00 O ATOM 0 H GLU A 77 -10.206 0.253 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.492 0.182 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.369 2.448 0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.208 2.147 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.334 1.855 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.396 2.602 2.025 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.895 -1.062 -0.042 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.733 -1.834 -0.952 1.00 0.00 C ATOM 1235 C VAL A 78 -15.385 -0.935 -1.996 1.00 0.00 C ATOM 1236 O VAL A 78 -15.807 -1.400 -3.055 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.832 -2.598 -0.191 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.613 -3.496 -1.138 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.228 -3.407 0.947 1.00 0.00 C ATOM 0 H VAL A 78 -14.153 -1.144 0.941 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.081 -2.551 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.524 -1.873 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.385 -4.028 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.078 -2.889 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.936 -4.216 -1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.019 -3.940 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.513 -4.124 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.719 -2.737 1.640 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.463 0.357 -1.691 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.061 1.322 -2.605 1.00 0.00 C ATOM 1251 C ALA A 79 -15.345 1.321 -3.951 1.00 0.00 C ATOM 1252 O ALA A 79 -15.960 1.554 -4.992 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.034 2.715 -1.992 1.00 0.00 C ATOM 0 H ALA A 79 -15.120 0.759 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.098 1.031 -2.775 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.484 3.426 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.597 2.713 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.002 3.005 -1.793 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.043 1.057 -3.924 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.244 1.025 -5.143 1.00 0.00 C ATOM 1261 C ASP A 80 -13.142 -0.396 -5.688 1.00 0.00 C ATOM 1262 O ASP A 80 -13.060 -0.603 -6.900 1.00 0.00 O ATOM 1263 CB ASP A 80 -11.845 1.583 -4.876 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.874 3.038 -4.449 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -11.890 3.916 -5.337 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.880 3.298 -3.228 1.00 0.00 O ATOM 0 H ASP A 80 -13.519 0.862 -3.071 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.739 1.647 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.362 0.989 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.239 1.484 -5.777 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.147 -1.372 -4.787 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.055 -2.775 -5.178 1.00 0.00 C ATOM 1273 C LEU A 81 -14.232 -3.173 -6.062 1.00 0.00 C ATOM 1274 O LEU A 81 -15.308 -2.575 -6.011 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.009 -3.668 -3.937 1.00 0.00 C ATOM 1276 CG LEU A 81 -11.712 -3.626 -3.127 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -11.824 -4.508 -1.893 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.532 -4.056 -3.987 1.00 0.00 C ATOM 0 H LEU A 81 -13.214 -1.218 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.136 -2.908 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.833 -3.387 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.186 -4.698 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.543 -2.600 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.892 -4.465 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.643 -4.155 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.017 -5.537 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.618 -4.020 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.693 -5.073 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.439 -3.383 -4.839 1.00 0.00 H new