USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 36 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -113:sc= 2.76 (180deg=-2.08!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.0292 X(o=0.029,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.603 K(o=-0.6,f=-2.5!) USER MOD Single : A 65 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.314) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -7:sc= -7.71! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 18:sc= 0.228 USER MOD Single : A 95 THR OG1 : rot -15:sc= 0.452 USER MOD Single : A 96 LYS NZ :NH3+ -115:sc= -0.348 (180deg=-2!) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.848 USER MOD Single : A 114 GLN : amide:sc=-0.00578 K(o=-0.0058,f=-1.3) USER MOD Single : A 117 CYS SG : rot -50:sc= -1.16 USER MOD ----------------------------------------------------------------- ATOM 119 N VAL A 13 -6.756 4.149 12.428 1.00 0.00 N ATOM 120 CA VAL A 13 -8.214 4.117 12.410 1.00 0.00 C ATOM 121 C VAL A 13 -8.734 2.691 12.541 1.00 0.00 C ATOM 122 O VAL A 13 -9.598 2.406 13.371 1.00 0.00 O ATOM 123 CB VAL A 13 -8.773 4.739 11.116 1.00 0.00 C ATOM 124 CG1 VAL A 13 -10.294 4.758 11.147 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.218 6.141 10.917 1.00 0.00 C ATOM 0 HA VAL A 13 -8.554 4.704 13.263 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.458 4.125 10.272 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.671 5.201 10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.669 3.739 11.240 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.633 5.348 11.998 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.623 6.566 9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.501 6.768 11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.131 6.096 10.847 1.00 0.00 H new ATOM 135 N LYS A 14 -8.203 1.795 11.716 1.00 0.00 N ATOM 136 CA LYS A 14 -8.611 0.395 11.740 1.00 0.00 C ATOM 137 C LYS A 14 -7.403 -0.522 11.904 1.00 0.00 C ATOM 138 O LYS A 14 -6.470 -0.483 11.102 1.00 0.00 O ATOM 139 CB LYS A 14 -9.363 0.040 10.455 1.00 0.00 C ATOM 140 CG LYS A 14 -9.864 -1.393 10.420 1.00 0.00 C ATOM 141 CD LYS A 14 -10.124 -1.858 8.997 1.00 0.00 C ATOM 142 CE LYS A 14 -10.087 -3.375 8.890 1.00 0.00 C ATOM 143 NZ LYS A 14 -10.495 -3.846 7.538 1.00 0.00 N ATOM 0 H LYS A 14 -7.488 2.014 11.022 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.273 0.250 12.594 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.211 0.715 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.706 0.207 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.130 -2.048 10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.781 -1.473 11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.096 -1.493 8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.377 -1.427 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.080 -3.730 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.748 -3.808 9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.397 -4.359 7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.609 -3.028 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.764 -4.480 7.156 1.00 0.00 H new ATOM 157 N GLN A 15 -7.428 -1.345 12.946 1.00 0.00 N ATOM 158 CA GLN A 15 -6.334 -2.272 13.214 1.00 0.00 C ATOM 159 C GLN A 15 -6.743 -3.705 12.888 1.00 0.00 C ATOM 160 O GLN A 15 -7.929 -4.026 12.835 1.00 0.00 O ATOM 161 CB GLN A 15 -5.900 -2.173 14.677 1.00 0.00 C ATOM 162 CG GLN A 15 -4.811 -1.141 14.920 1.00 0.00 C ATOM 163 CD GLN A 15 -4.802 -0.627 16.346 1.00 0.00 C ATOM 164 OE1 GLN A 15 -4.400 -1.335 17.271 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.245 0.610 16.533 1.00 0.00 N ATOM 0 H GLN A 15 -8.193 -1.390 13.619 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.495 -1.999 12.575 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.767 -1.925 15.289 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.545 -3.149 15.009 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.841 -1.581 14.690 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.951 -0.303 14.237 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.569 1.161 15.738 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.262 1.009 17.471 1.00 0.00 H new ATOM 174 N GLY A 16 -5.751 -4.563 12.670 1.00 0.00 N ATOM 175 CA GLY A 16 -6.028 -5.952 12.351 1.00 0.00 C ATOM 176 C GLY A 16 -4.766 -6.751 12.096 1.00 0.00 C ATOM 177 O GLY A 16 -3.659 -6.272 12.342 1.00 0.00 O ATOM 0 H GLY A 16 -4.761 -4.321 12.709 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.582 -6.407 13.172 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.668 -5.999 11.470 1.00 0.00 H new ATOM 181 N PHE A 17 -4.931 -7.974 11.604 1.00 0.00 N ATOM 182 CA PHE A 17 -3.796 -8.843 11.318 1.00 0.00 C ATOM 183 C PHE A 17 -3.879 -9.398 9.899 1.00 0.00 C ATOM 184 O PHE A 17 -4.834 -10.092 9.546 1.00 0.00 O ATOM 185 CB PHE A 17 -3.741 -9.994 12.325 1.00 0.00 C ATOM 186 CG PHE A 17 -3.924 -9.553 13.750 1.00 0.00 C ATOM 187 CD1 PHE A 17 -2.944 -8.814 14.391 1.00 0.00 C ATOM 188 CD2 PHE A 17 -5.076 -9.879 14.446 1.00 0.00 C ATOM 189 CE1 PHE A 17 -3.109 -8.406 15.702 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.248 -9.474 15.757 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.263 -8.738 16.386 1.00 0.00 C ATOM 0 H PHE A 17 -5.840 -8.386 11.395 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.886 -8.249 11.404 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.514 -10.721 12.076 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.782 -10.503 12.231 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.040 -8.553 13.861 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.849 -10.456 13.960 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.338 -7.829 16.190 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.152 -9.733 16.289 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.394 -8.423 17.411 1.00 0.00 H new ATOM 201 N LEU A 18 -2.873 -9.087 9.089 1.00 0.00 N ATOM 202 CA LEU A 18 -2.831 -9.554 7.708 1.00 0.00 C ATOM 203 C LEU A 18 -1.775 -10.640 7.531 1.00 0.00 C ATOM 204 O LEU A 18 -0.966 -10.885 8.427 1.00 0.00 O ATOM 205 CB LEU A 18 -2.541 -8.386 6.763 1.00 0.00 C ATOM 206 CG LEU A 18 -3.683 -7.390 6.557 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.184 -6.147 5.836 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.822 -8.037 5.783 1.00 0.00 C ATOM 0 H LEU A 18 -2.076 -8.514 9.365 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.805 -9.978 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.676 -7.843 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.260 -8.792 5.791 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.059 -7.091 7.535 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.010 -5.450 5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.403 -5.671 6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.780 -6.428 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.626 -7.314 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.459 -8.366 4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.198 -8.896 6.339 1.00 0.00 H new ATOM 220 N TYR A 19 -1.786 -11.286 6.371 1.00 0.00 N ATOM 221 CA TYR A 19 -0.829 -12.346 6.076 1.00 0.00 C ATOM 222 C TYR A 19 -0.102 -12.074 4.763 1.00 0.00 C ATOM 223 O TYR A 19 -0.728 -11.898 3.717 1.00 0.00 O ATOM 224 CB TYR A 19 -1.539 -13.698 6.008 1.00 0.00 C ATOM 225 CG TYR A 19 -2.586 -13.887 7.083 1.00 0.00 C ATOM 226 CD1 TYR A 19 -2.278 -13.690 8.423 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.884 -14.262 6.757 1.00 0.00 C ATOM 228 CE1 TYR A 19 -3.232 -13.862 9.408 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.844 -14.435 7.735 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.513 -14.234 9.059 1.00 0.00 C ATOM 231 OH TYR A 19 -5.466 -14.405 10.037 1.00 0.00 O ATOM 0 H TYR A 19 -2.448 -11.094 5.619 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.093 -12.370 6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.011 -13.803 5.031 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.798 -14.493 6.091 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.276 -13.397 8.700 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.146 -14.421 5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.976 -13.706 10.445 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.848 -14.726 7.465 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.315 -14.666 9.624 1.00 0.00 H new ATOM 241 N LEU A 20 1.225 -12.042 4.825 1.00 0.00 N ATOM 242 CA LEU A 20 2.040 -11.792 3.641 1.00 0.00 C ATOM 243 C LEU A 20 3.008 -12.945 3.394 1.00 0.00 C ATOM 244 O LEU A 20 3.688 -13.403 4.311 1.00 0.00 O ATOM 245 CB LEU A 20 2.817 -10.484 3.799 1.00 0.00 C ATOM 246 CG LEU A 20 3.861 -10.189 2.721 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.210 -10.130 1.349 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.588 -8.887 3.026 1.00 0.00 C ATOM 0 H LEU A 20 1.759 -12.186 5.682 1.00 0.00 H new ATOM 0 HA LEU A 20 1.374 -11.710 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.103 -9.661 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.317 -10.497 4.767 1.00 0.00 H new ATOM 0 HG LEU A 20 4.592 -10.998 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.969 -9.919 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.736 -11.087 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.457 -9.342 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.327 -8.692 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.870 -8.068 3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.088 -8.967 3.991 1.00 0.00 H new ATOM 260 N GLN A 21 3.066 -13.406 2.149 1.00 0.00 N ATOM 261 CA GLN A 21 3.952 -14.504 1.782 1.00 0.00 C ATOM 262 C GLN A 21 5.387 -14.013 1.616 1.00 0.00 C ATOM 263 O GLN A 21 5.630 -12.972 1.006 1.00 0.00 O ATOM 264 CB GLN A 21 3.473 -15.162 0.487 1.00 0.00 C ATOM 265 CG GLN A 21 3.993 -16.578 0.296 1.00 0.00 C ATOM 266 CD GLN A 21 3.286 -17.313 -0.826 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.767 -17.351 -1.959 1.00 0.00 O ATOM 268 NE2 GLN A 21 2.137 -17.903 -0.516 1.00 0.00 N ATOM 0 H GLN A 21 2.510 -13.036 1.378 1.00 0.00 H new ATOM 0 HA GLN A 21 3.930 -15.240 2.586 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.383 -15.180 0.480 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.787 -14.551 -0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.062 -16.543 0.085 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.869 -17.135 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.775 -17.846 0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.617 -18.413 -1.230 1.00 0.00 H new ATOM 413 N TRP A 30 3.357 -18.640 5.066 1.00 0.00 N ATOM 414 CA TRP A 30 2.663 -17.432 5.499 1.00 0.00 C ATOM 415 C TRP A 30 3.139 -16.996 6.880 1.00 0.00 C ATOM 416 O TRP A 30 3.397 -17.829 7.750 1.00 0.00 O ATOM 417 CB TRP A 30 1.152 -17.667 5.518 1.00 0.00 C ATOM 418 CG TRP A 30 0.565 -17.874 4.154 1.00 0.00 C ATOM 419 CD1 TRP A 30 0.263 -19.067 3.564 1.00 0.00 C ATOM 420 CD2 TRP A 30 0.214 -16.857 3.210 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.256 -18.854 2.310 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.298 -17.506 2.069 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.279 -15.461 3.218 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -0.739 -16.806 0.950 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.159 -14.767 2.106 1.00 0.00 C ATOM 426 CH2 TRP A 30 -0.663 -15.440 0.985 1.00 0.00 C ATOM 0 HA TRP A 30 2.892 -16.637 4.789 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.935 -18.539 6.135 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.665 -16.814 5.990 1.00 0.00 H new ATOM 0 HD1 TRP A 30 0.410 -20.036 4.017 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -0.561 -19.581 1.663 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.665 -14.934 4.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.127 -17.322 0.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.112 -13.688 2.101 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -0.998 -14.869 0.132 1.00 0.00 H new ATOM 437 N ARG A 31 3.255 -15.687 7.076 1.00 0.00 N ATOM 438 CA ARG A 31 3.701 -15.141 8.352 1.00 0.00 C ATOM 439 C ARG A 31 2.885 -13.910 8.732 1.00 0.00 C ATOM 440 O ARG A 31 2.853 -12.922 7.997 1.00 0.00 O ATOM 441 CB ARG A 31 5.187 -14.781 8.285 1.00 0.00 C ATOM 442 CG ARG A 31 5.905 -14.906 9.618 1.00 0.00 C ATOM 443 CD ARG A 31 5.335 -13.945 10.650 1.00 0.00 C ATOM 444 NE ARG A 31 6.002 -14.072 11.943 1.00 0.00 N ATOM 445 CZ ARG A 31 5.661 -14.969 12.861 1.00 0.00 C ATOM 446 NH1 ARG A 31 4.667 -15.815 12.629 1.00 0.00 N ATOM 447 NH2 ARG A 31 6.316 -15.022 14.014 1.00 0.00 N ATOM 0 H ARG A 31 3.046 -14.984 6.367 1.00 0.00 H new ATOM 0 HA ARG A 31 3.553 -15.903 9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.676 -15.428 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.288 -13.758 7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.818 -15.929 9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.968 -14.706 9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.437 -12.922 10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.269 -14.135 10.772 1.00 0.00 H new ATOM 0 HE ARG A 31 6.772 -13.437 12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.162 -15.778 11.744 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.407 -16.503 13.336 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.082 -14.373 14.196 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.053 -15.711 14.719 1.00 0.00 H new ATOM 461 N ARG A 32 2.226 -13.976 9.884 1.00 0.00 N ATOM 462 CA ARG A 32 1.408 -12.867 10.361 1.00 0.00 C ATOM 463 C ARG A 32 2.253 -11.611 10.553 1.00 0.00 C ATOM 464 O ARG A 32 3.450 -11.692 10.832 1.00 0.00 O ATOM 465 CB ARG A 32 0.723 -13.240 11.677 1.00 0.00 C ATOM 466 CG ARG A 32 -0.401 -14.250 11.514 1.00 0.00 C ATOM 467 CD ARG A 32 0.111 -15.677 11.629 1.00 0.00 C ATOM 468 NE ARG A 32 0.927 -15.871 12.825 1.00 0.00 N ATOM 469 CZ ARG A 32 1.639 -16.968 13.058 1.00 0.00 C ATOM 470 NH1 ARG A 32 1.637 -17.963 12.182 1.00 0.00 N ATOM 471 NH2 ARG A 32 2.357 -17.070 14.170 1.00 0.00 N ATOM 0 H ARG A 32 2.242 -14.785 10.504 1.00 0.00 H new ATOM 0 HA ARG A 32 0.647 -12.660 9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.468 -13.645 12.362 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.324 -12.336 12.138 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.163 -14.073 12.273 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.879 -14.111 10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.734 -16.365 11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.699 -15.924 10.745 1.00 0.00 H new ATOM 0 HE ARG A 32 0.951 -15.124 13.519 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.088 -17.888 11.326 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.185 -18.804 12.364 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.362 -16.306 14.846 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.904 -17.912 14.349 1.00 0.00 H new ATOM 485 N PHE A 33 1.622 -10.451 10.402 1.00 0.00 N ATOM 486 CA PHE A 33 2.316 -9.178 10.558 1.00 0.00 C ATOM 487 C PHE A 33 1.356 -8.089 11.028 1.00 0.00 C ATOM 488 O PHE A 33 0.290 -7.892 10.447 1.00 0.00 O ATOM 489 CB PHE A 33 2.967 -8.763 9.236 1.00 0.00 C ATOM 490 CG PHE A 33 4.071 -9.682 8.798 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.068 -10.060 9.682 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.112 -10.167 7.501 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.086 -10.906 9.282 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.127 -11.014 7.095 1.00 0.00 C ATOM 495 CZ PHE A 33 6.115 -11.383 7.986 1.00 0.00 C ATOM 0 H PHE A 33 0.632 -10.366 10.172 1.00 0.00 H new ATOM 0 HA PHE A 33 3.091 -9.305 11.314 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.203 -8.729 8.459 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.364 -7.753 9.337 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.050 -9.689 10.696 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.343 -9.880 6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.857 -11.193 9.982 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.147 -11.387 6.082 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.909 -12.043 7.670 1.00 0.00 H new ATOM 505 N GLY A 34 1.744 -7.384 12.087 1.00 0.00 N ATOM 506 CA GLY A 34 0.907 -6.325 12.620 1.00 0.00 C ATOM 507 C GLY A 34 0.439 -5.361 11.547 1.00 0.00 C ATOM 508 O GLY A 34 1.208 -4.522 11.080 1.00 0.00 O ATOM 0 H GLY A 34 2.623 -7.528 12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.040 -6.765 13.113 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.462 -5.776 13.381 1.00 0.00 H new ATOM 512 N ALA A 35 -0.825 -5.483 11.154 1.00 0.00 N ATOM 513 CA ALA A 35 -1.394 -4.616 10.130 1.00 0.00 C ATOM 514 C ALA A 35 -2.133 -3.438 10.757 1.00 0.00 C ATOM 515 O ALA A 35 -3.112 -3.621 11.480 1.00 0.00 O ATOM 516 CB ALA A 35 -2.328 -5.408 9.227 1.00 0.00 C ATOM 0 H ALA A 35 -1.474 -6.174 11.530 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.576 -4.219 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.746 -4.748 8.467 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.772 -6.212 8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.136 -5.833 9.822 1.00 0.00 H new ATOM 522 N SER A 36 -1.657 -2.229 10.476 1.00 0.00 N ATOM 523 CA SER A 36 -2.270 -1.022 11.016 1.00 0.00 C ATOM 524 C SER A 36 -2.657 -0.061 9.895 1.00 0.00 C ATOM 525 O SER A 36 -1.809 0.380 9.119 1.00 0.00 O ATOM 526 CB SER A 36 -1.313 -0.329 11.988 1.00 0.00 C ATOM 527 OG SER A 36 -0.913 -1.210 13.024 1.00 0.00 O ATOM 0 H SER A 36 -0.849 -2.060 9.877 1.00 0.00 H new ATOM 0 HA SER A 36 -3.174 -1.312 11.552 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.435 0.025 11.448 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.798 0.547 12.418 1.00 0.00 H new ATOM 0 HG SER A 36 -0.301 -0.744 13.631 1.00 0.00 H new ATOM 533 N LEU A 37 -3.944 0.258 9.817 1.00 0.00 N ATOM 534 CA LEU A 37 -4.446 1.166 8.792 1.00 0.00 C ATOM 535 C LEU A 37 -4.462 2.605 9.299 1.00 0.00 C ATOM 536 O LEU A 37 -5.301 2.975 10.120 1.00 0.00 O ATOM 537 CB LEU A 37 -5.854 0.751 8.359 1.00 0.00 C ATOM 538 CG LEU A 37 -6.340 1.316 7.024 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.559 0.705 5.870 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.831 1.068 6.851 1.00 0.00 C ATOM 0 H LEU A 37 -4.659 -0.099 10.451 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.777 1.110 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.890 -0.337 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.556 1.055 9.136 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.168 2.392 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.919 1.119 4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.500 0.934 5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.699 -0.376 5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.159 1.477 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.027 -0.004 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.377 1.553 7.660 1.00 0.00 H new ATOM 552 N TYR A 38 -3.531 3.411 8.802 1.00 0.00 N ATOM 553 CA TYR A 38 -3.437 4.810 9.205 1.00 0.00 C ATOM 554 C TYR A 38 -3.922 5.731 8.091 1.00 0.00 C ATOM 555 O TYR A 38 -3.565 5.557 6.926 1.00 0.00 O ATOM 556 CB TYR A 38 -1.996 5.159 9.580 1.00 0.00 C ATOM 557 CG TYR A 38 -1.459 4.349 10.739 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.836 4.634 12.045 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.573 3.300 10.527 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.347 3.897 13.107 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.080 2.557 11.582 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.470 2.859 12.870 1.00 0.00 C ATOM 563 OH TYR A 38 0.020 2.123 13.924 1.00 0.00 O ATOM 0 H TYR A 38 -2.831 3.120 8.120 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.077 4.955 10.076 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.356 5.004 8.712 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.941 6.218 9.831 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.523 5.446 12.234 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.264 3.061 9.520 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.650 4.132 14.117 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.607 1.744 11.399 1.00 0.00 H new ATOM 0 HH TYR A 38 0.624 1.429 13.586 1.00 0.00 H new ATOM 573 N GLY A 39 -4.739 6.714 8.457 1.00 0.00 N ATOM 574 CA GLY A 39 -5.260 7.650 7.478 1.00 0.00 C ATOM 575 C GLY A 39 -6.571 8.275 7.913 1.00 0.00 C ATOM 576 O GLY A 39 -6.949 8.190 9.081 1.00 0.00 O ATOM 0 H GLY A 39 -5.049 6.879 9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.526 8.437 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.404 7.135 6.528 1.00 0.00 H new ATOM 650 N ALA A 46 -1.650 8.853 4.949 1.00 0.00 N ATOM 651 CA ALA A 46 -2.251 7.525 4.974 1.00 0.00 C ATOM 652 C ALA A 46 -1.314 6.487 4.366 1.00 0.00 C ATOM 653 O ALA A 46 -0.869 6.631 3.227 1.00 0.00 O ATOM 654 CB ALA A 46 -3.582 7.534 4.238 1.00 0.00 C ATOM 0 HA ALA A 46 -2.426 7.252 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.019 6.536 4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.259 8.240 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.423 7.833 3.202 1.00 0.00 H new ATOM 660 N ARG A 47 -1.019 5.442 5.131 1.00 0.00 N ATOM 661 CA ARG A 47 -0.133 4.381 4.667 1.00 0.00 C ATOM 662 C ARG A 47 -0.383 3.088 5.440 1.00 0.00 C ATOM 663 O ARG A 47 -1.063 3.087 6.467 1.00 0.00 O ATOM 664 CB ARG A 47 1.329 4.804 4.819 1.00 0.00 C ATOM 665 CG ARG A 47 1.745 5.048 6.260 1.00 0.00 C ATOM 666 CD ARG A 47 3.246 5.263 6.378 1.00 0.00 C ATOM 667 NE ARG A 47 3.611 6.670 6.236 1.00 0.00 N ATOM 668 CZ ARG A 47 4.843 7.131 6.418 1.00 0.00 C ATOM 669 NH1 ARG A 47 5.824 6.302 6.747 1.00 0.00 N ATOM 670 NH2 ARG A 47 5.096 8.426 6.272 1.00 0.00 N ATOM 0 H ARG A 47 -1.380 5.307 6.075 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.344 4.201 3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.968 4.032 4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.497 5.713 4.242 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.220 5.920 6.649 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.449 4.198 6.874 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.590 4.895 7.345 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.757 4.677 5.614 1.00 0.00 H new ATOM 0 HE ARG A 47 2.880 7.335 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.634 5.306 6.861 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.769 6.660 6.886 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.344 9.067 6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.042 8.780 6.412 1.00 0.00 H new ATOM 684 N LEU A 48 0.172 1.990 4.939 1.00 0.00 N ATOM 685 CA LEU A 48 0.010 0.690 5.581 1.00 0.00 C ATOM 686 C LEU A 48 1.268 0.303 6.351 1.00 0.00 C ATOM 687 O LEU A 48 2.347 0.176 5.772 1.00 0.00 O ATOM 688 CB LEU A 48 -0.312 -0.380 4.536 1.00 0.00 C ATOM 689 CG LEU A 48 -1.178 -1.546 5.015 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.554 -1.052 5.435 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.298 -2.603 3.927 1.00 0.00 C ATOM 0 H LEU A 48 0.738 1.974 4.091 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.818 0.761 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.816 0.100 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.627 -0.783 4.156 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.697 -1.999 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.156 -1.896 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.450 -0.332 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.043 -0.574 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.918 -3.425 4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.756 -2.163 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.307 -2.979 3.674 1.00 0.00 H new ATOM 703 N GLU A 49 1.121 0.114 7.659 1.00 0.00 N ATOM 704 CA GLU A 49 2.246 -0.260 8.507 1.00 0.00 C ATOM 705 C GLU A 49 2.290 -1.771 8.717 1.00 0.00 C ATOM 706 O GLU A 49 1.254 -2.417 8.883 1.00 0.00 O ATOM 707 CB GLU A 49 2.153 0.451 9.859 1.00 0.00 C ATOM 708 CG GLU A 49 3.505 0.731 10.494 1.00 0.00 C ATOM 709 CD GLU A 49 4.005 -0.427 11.336 1.00 0.00 C ATOM 710 OE1 GLU A 49 3.233 -0.917 12.186 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.167 -0.841 11.145 1.00 0.00 O ATOM 0 H GLU A 49 0.234 0.214 8.153 1.00 0.00 H new ATOM 0 HA GLU A 49 3.164 0.047 8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.620 1.393 9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.560 -0.159 10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.232 0.947 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.432 1.623 11.116 1.00 0.00 H new ATOM 718 N LEU A 50 3.495 -2.329 8.709 1.00 0.00 N ATOM 719 CA LEU A 50 3.676 -3.764 8.898 1.00 0.00 C ATOM 720 C LEU A 50 4.695 -4.045 9.998 1.00 0.00 C ATOM 721 O LEU A 50 5.803 -3.510 9.980 1.00 0.00 O ATOM 722 CB LEU A 50 4.127 -4.418 7.590 1.00 0.00 C ATOM 723 CG LEU A 50 3.125 -4.370 6.436 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.806 -4.730 5.124 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.955 -5.305 6.706 1.00 0.00 C ATOM 0 H LEU A 50 4.362 -1.809 8.574 1.00 0.00 H new ATOM 0 HA LEU A 50 2.718 -4.189 9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.049 -3.936 7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.368 -5.462 7.793 1.00 0.00 H new ATOM 0 HG LEU A 50 2.740 -3.353 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.078 -4.691 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.610 -4.021 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.219 -5.736 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.252 -5.258 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.322 -6.326 6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.452 -5.002 7.624 1.00 0.00 H new ATOM 737 N GLN A 51 4.311 -4.888 10.951 1.00 0.00 N ATOM 738 CA GLN A 51 5.192 -5.240 12.058 1.00 0.00 C ATOM 739 C GLN A 51 5.851 -6.595 11.819 1.00 0.00 C ATOM 740 O GLN A 51 5.297 -7.452 11.132 1.00 0.00 O ATOM 741 CB GLN A 51 4.410 -5.264 13.372 1.00 0.00 C ATOM 742 CG GLN A 51 5.282 -5.508 14.594 1.00 0.00 C ATOM 743 CD GLN A 51 6.225 -4.355 14.878 1.00 0.00 C ATOM 744 OE1 GLN A 51 7.109 -4.051 14.077 1.00 0.00 O ATOM 745 NE2 GLN A 51 6.041 -3.707 16.022 1.00 0.00 N ATOM 0 H GLN A 51 3.397 -5.339 10.979 1.00 0.00 H new ATOM 0 HA GLN A 51 5.973 -4.483 12.123 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.888 -4.315 13.492 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.648 -6.042 13.318 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.645 -5.674 15.463 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.862 -6.419 14.446 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.295 -3.994 16.656 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.645 -2.923 16.267 1.00 0.00 H new ATOM 959 N LYS A 65 8.842 -2.354 7.700 1.00 0.00 N ATOM 960 CA LYS A 65 8.327 -2.355 6.336 1.00 0.00 C ATOM 961 C LYS A 65 6.990 -1.624 6.259 1.00 0.00 C ATOM 962 O LYS A 65 6.039 -1.973 6.959 1.00 0.00 O ATOM 963 CB LYS A 65 8.166 -3.790 5.830 1.00 0.00 C ATOM 964 CG LYS A 65 9.444 -4.382 5.262 1.00 0.00 C ATOM 965 CD LYS A 65 9.376 -5.898 5.197 1.00 0.00 C ATOM 966 CE LYS A 65 8.712 -6.372 3.914 1.00 0.00 C ATOM 967 NZ LYS A 65 7.233 -6.473 4.058 1.00 0.00 N ATOM 0 HA LYS A 65 9.044 -1.832 5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.818 -4.418 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.393 -3.811 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.619 -3.982 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.291 -4.081 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.383 -6.311 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.821 -6.275 6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.952 -5.682 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.117 -7.345 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.872 -7.212 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.996 -6.716 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.797 -5.561 3.812 1.00 0.00 H new ATOM 981 N VAL A 66 6.923 -0.610 5.403 1.00 0.00 N ATOM 982 CA VAL A 66 5.702 0.168 5.232 1.00 0.00 C ATOM 983 C VAL A 66 5.362 0.342 3.756 1.00 0.00 C ATOM 984 O VAL A 66 6.210 0.740 2.957 1.00 0.00 O ATOM 985 CB VAL A 66 5.825 1.557 5.886 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.639 2.492 5.005 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.447 2.139 6.164 1.00 0.00 C ATOM 0 H VAL A 66 7.701 -0.308 4.816 1.00 0.00 H new ATOM 0 HA VAL A 66 4.903 -0.387 5.723 1.00 0.00 H new ATOM 0 HB VAL A 66 6.346 1.446 6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.715 3.468 5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.638 2.079 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.148 2.599 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.553 3.120 6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.897 2.236 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.902 1.478 6.838 1.00 0.00 H new ATOM 997 N ILE A 67 4.118 0.040 3.402 1.00 0.00 N ATOM 998 CA ILE A 67 3.666 0.164 2.022 1.00 0.00 C ATOM 999 C ILE A 67 2.600 1.247 1.887 1.00 0.00 C ATOM 1000 O ILE A 67 1.432 1.025 2.204 1.00 0.00 O ATOM 1001 CB ILE A 67 3.098 -1.166 1.493 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.148 -2.274 1.605 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.637 -1.010 0.052 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.555 -3.663 1.683 1.00 0.00 C ATOM 0 H ILE A 67 3.405 -0.292 4.051 1.00 0.00 H new ATOM 0 HA ILE A 67 4.538 0.439 1.429 1.00 0.00 H new ATOM 0 HB ILE A 67 2.237 -1.444 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.814 -2.220 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.757 -2.098 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.238 -1.959 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.861 -0.247 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.481 -0.713 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.357 -4.397 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.911 -3.735 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.969 -3.859 0.785 1.00 0.00 H new ATOM 1016 N ARG A 68 3.012 2.419 1.414 1.00 0.00 N ATOM 1017 CA ARG A 68 2.093 3.537 1.237 1.00 0.00 C ATOM 1018 C ARG A 68 0.965 3.166 0.279 1.00 0.00 C ATOM 1019 O ARG A 68 1.199 2.910 -0.903 1.00 0.00 O ATOM 1020 CB ARG A 68 2.842 4.762 0.711 1.00 0.00 C ATOM 1021 CG ARG A 68 3.935 5.255 1.644 1.00 0.00 C ATOM 1022 CD ARG A 68 4.793 6.322 0.983 1.00 0.00 C ATOM 1023 NE ARG A 68 5.709 5.755 -0.003 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.602 6.472 -0.675 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.701 7.778 -0.466 1.00 0.00 N ATOM 1026 NH2 ARG A 68 7.401 5.884 -1.556 1.00 0.00 N ATOM 0 H ARG A 68 3.976 2.619 1.147 1.00 0.00 H new ATOM 0 HA ARG A 68 1.658 3.775 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.283 4.520 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.129 5.569 0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.486 5.659 2.551 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.563 4.417 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.149 7.056 0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.364 6.852 1.746 1.00 0.00 H new ATOM 0 HE ARG A 68 5.660 4.753 -0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.090 8.234 0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.388 8.327 -0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.330 4.879 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.086 6.436 -2.071 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.259 3.140 0.796 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.424 2.800 -0.014 1.00 0.00 C ATOM 1042 C LEU A 69 -1.485 3.663 -1.270 1.00 0.00 C ATOM 1043 O LEU A 69 -1.933 3.212 -2.324 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.706 2.976 0.803 1.00 0.00 C ATOM 1045 CG LEU A 69 -2.810 2.139 2.078 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.015 2.567 2.901 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.893 0.658 1.737 1.00 0.00 C ATOM 0 H LEU A 69 -0.470 3.350 1.772 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.334 1.757 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.799 4.028 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.556 2.736 0.164 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.912 2.305 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.073 1.960 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.914 3.617 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.923 2.431 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.967 0.077 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.773 0.475 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.999 0.360 1.190 1.00 0.00 H new ATOM 1059 N SER A 70 -1.030 4.906 -1.150 1.00 0.00 N ATOM 1060 CA SER A 70 -1.034 5.834 -2.275 1.00 0.00 C ATOM 1061 C SER A 70 -0.300 5.238 -3.473 1.00 0.00 C ATOM 1062 O SER A 70 -0.610 5.550 -4.623 1.00 0.00 O ATOM 1063 CB SER A 70 -0.385 7.160 -1.873 1.00 0.00 C ATOM 1064 OG SER A 70 -1.270 7.944 -1.091 1.00 0.00 O ATOM 0 H SER A 70 -0.654 5.294 -0.285 1.00 0.00 H new ATOM 0 HA SER A 70 -2.070 6.017 -2.559 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.528 6.966 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.097 7.713 -2.767 1.00 0.00 H new ATOM 0 HG SER A 70 -0.832 8.785 -0.845 1.00 0.00 H new ATOM 1070 N ASP A 71 0.675 4.380 -3.194 1.00 0.00 N ATOM 1071 CA ASP A 71 1.454 3.739 -4.247 1.00 0.00 C ATOM 1072 C ASP A 71 0.663 2.607 -4.895 1.00 0.00 C ATOM 1073 O ASP A 71 0.801 2.347 -6.091 1.00 0.00 O ATOM 1074 CB ASP A 71 2.769 3.200 -3.682 1.00 0.00 C ATOM 1075 CG ASP A 71 3.764 4.304 -3.378 1.00 0.00 C ATOM 1076 OD1 ASP A 71 3.324 5.432 -3.074 1.00 0.00 O ATOM 1077 OD2 ASP A 71 4.983 4.039 -3.446 1.00 0.00 O ATOM 0 H ASP A 71 0.945 4.112 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 71 1.674 4.487 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.566 2.637 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.210 2.504 -4.396 1.00 0.00 H new ATOM 1082 N CYS A 72 -0.163 1.938 -4.099 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.975 0.833 -4.595 1.00 0.00 C ATOM 1084 C CYS A 72 -1.619 1.188 -5.931 1.00 0.00 C ATOM 1085 O CYS A 72 -2.597 1.934 -5.983 1.00 0.00 O ATOM 1086 CB CYS A 72 -2.055 0.469 -3.576 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.411 -0.190 -2.020 1.00 0.00 S ATOM 0 H CYS A 72 -0.288 2.141 -3.107 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.322 -0.027 -4.744 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.652 1.356 -3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.725 -0.267 -4.020 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.128 -0.370 -2.123 1.00 0.00 H new ATOM 1093 N LEU A 73 -1.063 0.649 -7.011 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.581 0.910 -8.349 1.00 0.00 C ATOM 1095 C LEU A 73 -3.050 0.509 -8.452 1.00 0.00 C ATOM 1096 O LEU A 73 -3.877 1.270 -8.954 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.760 0.151 -9.393 1.00 0.00 C ATOM 1098 CG LEU A 73 0.599 0.757 -9.747 1.00 0.00 C ATOM 1099 CD1 LEU A 73 1.384 -0.184 -10.648 1.00 0.00 C ATOM 1100 CD2 LEU A 73 0.422 2.113 -10.413 1.00 0.00 C ATOM 0 H LEU A 73 -0.254 0.029 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.500 1.980 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.600 -0.865 -9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.351 0.075 -10.306 1.00 0.00 H new ATOM 0 HG LEU A 73 1.163 0.899 -8.825 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.348 0.264 -10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.543 -1.132 -10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.825 -0.359 -11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.400 2.529 -10.658 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.162 1.996 -11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.099 2.787 -9.733 1.00 0.00 H new ATOM 1112 N ARG A 74 -3.366 -0.689 -7.972 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.734 -1.190 -8.009 1.00 0.00 C ATOM 1114 C ARG A 74 -4.899 -2.389 -7.079 1.00 0.00 C ATOM 1115 O ARG A 74 -3.994 -3.211 -6.942 1.00 0.00 O ATOM 1116 CB ARG A 74 -5.118 -1.583 -9.437 1.00 0.00 C ATOM 1117 CG ARG A 74 -6.617 -1.579 -9.687 1.00 0.00 C ATOM 1118 CD ARG A 74 -7.098 -0.218 -10.167 1.00 0.00 C ATOM 1119 NE ARG A 74 -6.418 0.203 -11.389 1.00 0.00 N ATOM 1120 CZ ARG A 74 -6.754 1.285 -12.082 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -7.756 2.052 -11.674 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -6.088 1.603 -13.184 1.00 0.00 N ATOM 0 H ARG A 74 -2.693 -1.331 -7.553 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.395 -0.393 -7.668 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.640 -0.896 -10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.725 -2.577 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.865 -2.337 -10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.141 -1.849 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.173 -0.255 -10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.930 0.522 -9.385 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.642 -0.365 -11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.270 1.811 -10.827 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.012 2.883 -12.208 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.316 1.016 -13.501 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.348 2.434 -13.715 1.00 0.00 H new ATOM 1136 N VAL A 75 -6.062 -2.481 -6.441 1.00 0.00 N ATOM 1137 CA VAL A 75 -6.347 -3.578 -5.525 1.00 0.00 C ATOM 1138 C VAL A 75 -7.555 -4.383 -5.990 1.00 0.00 C ATOM 1139 O VAL A 75 -8.497 -3.835 -6.562 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.606 -3.064 -4.096 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -5.482 -2.142 -3.648 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.950 -2.355 -4.021 1.00 0.00 C ATOM 0 H VAL A 75 -6.822 -1.808 -6.542 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.467 -4.221 -5.518 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.633 -3.919 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.682 -1.789 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.538 -2.686 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.419 -1.289 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.117 -1.998 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.954 -1.509 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.744 -3.049 -4.297 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.521 -5.688 -5.740 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.614 -6.569 -6.131 1.00 0.00 C ATOM 1154 C ALA A 76 -8.889 -7.614 -5.055 1.00 0.00 C ATOM 1155 O ALA A 76 -8.199 -7.666 -4.038 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.299 -7.246 -7.457 1.00 0.00 C ATOM 0 H ALA A 76 -6.748 -6.158 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.511 -5.962 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.124 -7.901 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.160 -6.488 -8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.387 -7.834 -7.358 1.00 0.00 H new ATOM 1162 N GLU A 77 -9.903 -8.443 -5.286 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.269 -9.485 -4.334 1.00 0.00 C ATOM 1164 C GLU A 77 -9.826 -10.857 -4.833 1.00 0.00 C ATOM 1165 O GLU A 77 -10.191 -11.278 -5.930 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.780 -9.480 -4.095 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.267 -8.280 -3.300 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.763 -8.068 -3.421 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.507 -9.071 -3.426 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -14.191 -6.898 -3.510 1.00 0.00 O ATOM 0 H GLU A 77 -10.485 -8.413 -6.123 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.759 -9.278 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.292 -9.499 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.059 -10.392 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.007 -8.415 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.748 -7.386 -3.645 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.037 -11.550 -4.018 1.00 0.00 N ATOM 1178 CA ALA A 78 -8.545 -12.875 -4.375 1.00 0.00 C ATOM 1179 C ALA A 78 -9.059 -13.931 -3.402 1.00 0.00 C ATOM 1180 O ALA A 78 -8.546 -14.068 -2.292 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.024 -12.882 -4.410 1.00 0.00 C ATOM 0 H ALA A 78 -8.725 -11.216 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.921 -13.120 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.671 -13.878 -4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.674 -12.162 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.636 -12.612 -3.428 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.564 -21.280 4.121 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.469 -20.456 4.914 1.00 0.00 C ATOM 1288 C ASP A 87 -11.920 -19.042 5.071 1.00 0.00 C ATOM 1289 O ASP A 87 -11.983 -18.456 6.153 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.693 -21.086 6.290 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.740 -22.182 6.261 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.687 -22.078 5.454 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.611 -23.145 7.046 1.00 0.00 O ATOM 0 HA ASP A 87 -13.423 -20.399 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.752 -21.496 6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.000 -20.313 6.995 1.00 0.00 H new ATOM 1298 N THR A 88 -11.380 -18.498 3.985 1.00 0.00 N ATOM 1299 CA THR A 88 -10.817 -17.154 4.003 1.00 0.00 C ATOM 1300 C THR A 88 -10.924 -16.495 2.632 1.00 0.00 C ATOM 1301 O THR A 88 -11.455 -17.083 1.690 1.00 0.00 O ATOM 1302 CB THR A 88 -9.339 -17.169 4.438 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.617 -18.152 3.687 1.00 0.00 O ATOM 1304 CG2 THR A 88 -9.216 -17.468 5.925 1.00 0.00 C ATOM 0 H THR A 88 -11.321 -18.968 3.082 1.00 0.00 H new ATOM 0 HA THR A 88 -11.395 -16.579 4.726 1.00 0.00 H new ATOM 0 HB THR A 88 -8.916 -16.183 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.678 -18.154 3.968 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.164 -17.473 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.742 -16.702 6.495 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.654 -18.443 6.138 1.00 0.00 H new ATOM 1312 N SER A 89 -10.416 -15.271 2.528 1.00 0.00 N ATOM 1313 CA SER A 89 -10.458 -14.531 1.272 1.00 0.00 C ATOM 1314 C SER A 89 -9.258 -13.596 1.153 1.00 0.00 C ATOM 1315 O SER A 89 -9.142 -12.620 1.892 1.00 0.00 O ATOM 1316 CB SER A 89 -11.756 -13.727 1.172 1.00 0.00 C ATOM 1317 OG SER A 89 -12.829 -14.544 0.736 1.00 0.00 O ATOM 0 H SER A 89 -9.971 -14.771 3.298 1.00 0.00 H new ATOM 0 HA SER A 89 -10.420 -15.250 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.995 -13.294 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.621 -12.897 0.478 1.00 0.00 H new ATOM 0 HG SER A 89 -12.595 -15.487 0.863 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.368 -13.904 0.215 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.177 -13.092 -0.004 1.00 0.00 C ATOM 1325 C ALA A 90 -7.490 -11.884 -0.881 1.00 0.00 C ATOM 1326 O ALA A 90 -8.558 -11.807 -1.490 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.074 -13.931 -0.632 1.00 0.00 C ATOM 0 H ALA A 90 -8.449 -14.710 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.834 -12.726 0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.191 -13.312 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.823 -14.758 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.417 -14.325 -1.589 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.554 -10.944 -0.942 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.731 -9.739 -1.743 1.00 0.00 C ATOM 1335 C PHE A 91 -5.474 -9.435 -2.554 1.00 0.00 C ATOM 1336 O PHE A 91 -4.366 -9.807 -2.166 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.072 -8.548 -0.845 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.035 -8.273 0.206 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -6.027 -8.986 1.394 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.067 -7.302 0.006 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.074 -8.735 2.363 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.111 -7.047 0.971 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.114 -7.765 2.150 1.00 0.00 C ATOM 0 H PHE A 91 -5.664 -10.993 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.556 -9.911 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.194 -7.660 -1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.030 -8.732 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.774 -9.747 1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.059 -6.738 -0.915 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.080 -9.297 3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.362 -6.287 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.367 -7.569 2.905 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.654 -8.756 -3.682 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.536 -8.403 -4.548 1.00 0.00 C ATOM 1355 C PHE A 92 -4.025 -7.000 -4.233 1.00 0.00 C ATOM 1356 O PHE A 92 -4.808 -6.088 -3.960 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.955 -8.486 -6.017 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.896 -9.878 -6.579 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.679 -10.516 -6.760 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.058 -10.549 -6.926 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.623 -11.796 -7.277 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.007 -11.830 -7.443 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.788 -12.454 -7.618 1.00 0.00 C ATOM 0 H PHE A 92 -6.564 -8.439 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.730 -9.114 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.971 -8.104 -6.119 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.309 -7.836 -6.608 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.764 -10.007 -6.494 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.014 -10.066 -6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.668 -12.282 -7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.920 -12.342 -7.710 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.746 -13.455 -8.021 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.708 -6.834 -4.271 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.090 -5.542 -3.989 1.00 0.00 C ATOM 1375 C LEU A 93 -0.849 -5.333 -4.850 1.00 0.00 C ATOM 1376 O LEU A 93 0.197 -5.932 -4.603 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.721 -5.445 -2.508 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.740 -4.040 -1.903 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -1.385 -4.091 -0.425 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.784 -3.124 -2.652 1.00 0.00 C ATOM 0 H LEU A 93 -2.047 -7.578 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.811 -4.761 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.408 -6.073 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.723 -5.863 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.748 -3.637 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.403 -3.083 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.109 -4.713 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.388 -4.514 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.811 -2.129 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.228 -3.523 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.084 -3.063 -3.698 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.972 -4.476 -5.859 1.00 0.00 N ATOM 1393 CA GLU A 94 0.141 -4.187 -6.755 1.00 0.00 C ATOM 1394 C GLU A 94 0.636 -2.756 -6.563 1.00 0.00 C ATOM 1395 O GLU A 94 -0.156 -1.834 -6.365 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.277 -4.403 -8.210 1.00 0.00 C ATOM 1397 CG GLU A 94 0.884 -4.365 -9.189 1.00 0.00 C ATOM 1398 CD GLU A 94 0.458 -4.670 -10.612 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -0.247 -3.831 -11.212 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.829 -5.746 -11.126 1.00 0.00 O ATOM 0 H GLU A 94 -1.831 -3.970 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 94 0.955 -4.870 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.782 -5.365 -8.295 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.001 -3.638 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.350 -3.380 -9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.640 -5.086 -8.878 1.00 0.00 H new ATOM 1407 N THR A 95 1.952 -2.578 -6.622 1.00 0.00 N ATOM 1408 CA THR A 95 2.554 -1.261 -6.454 1.00 0.00 C ATOM 1409 C THR A 95 3.496 -0.935 -7.608 1.00 0.00 C ATOM 1410 O THR A 95 3.965 -1.830 -8.312 1.00 0.00 O ATOM 1411 CB THR A 95 3.332 -1.165 -5.128 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.338 -2.183 -5.075 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.394 -1.308 -3.939 1.00 0.00 C ATOM 0 H THR A 95 2.622 -3.330 -6.785 1.00 0.00 H new ATOM 0 HA THR A 95 1.737 -0.539 -6.441 1.00 0.00 H new ATOM 0 HB THR A 95 3.806 -0.185 -5.080 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.156 -2.859 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.966 -1.237 -3.014 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.648 -0.514 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.895 -2.276 -3.984 1.00 0.00 H new ATOM 1421 N LYS A 96 3.770 0.351 -7.796 1.00 0.00 N ATOM 1422 CA LYS A 96 4.658 0.796 -8.864 1.00 0.00 C ATOM 1423 C LYS A 96 5.935 -0.037 -8.891 1.00 0.00 C ATOM 1424 O LYS A 96 6.631 -0.088 -9.904 1.00 0.00 O ATOM 1425 CB LYS A 96 5.004 2.276 -8.683 1.00 0.00 C ATOM 1426 CG LYS A 96 4.001 3.218 -9.324 1.00 0.00 C ATOM 1427 CD LYS A 96 4.358 4.672 -9.068 1.00 0.00 C ATOM 1428 CE LYS A 96 3.919 5.118 -7.681 1.00 0.00 C ATOM 1429 NZ LYS A 96 4.955 4.832 -6.652 1.00 0.00 N ATOM 0 H LYS A 96 3.390 1.104 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 96 4.140 0.664 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.068 2.498 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.990 2.465 -9.108 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.964 3.035 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.005 3.012 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.435 4.807 -9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.884 5.302 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.706 6.187 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.992 4.611 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.590 4.129 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.809 4.458 -7.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.191 5.708 -6.144 1.00 0.00 H new ATOM 1443 N GLU A 97 6.236 -0.688 -7.772 1.00 0.00 N ATOM 1444 CA GLU A 97 7.430 -1.518 -7.669 1.00 0.00 C ATOM 1445 C GLU A 97 7.151 -2.935 -8.163 1.00 0.00 C ATOM 1446 O GLU A 97 7.574 -3.318 -9.254 1.00 0.00 O ATOM 1447 CB GLU A 97 7.928 -1.559 -6.223 1.00 0.00 C ATOM 1448 CG GLU A 97 8.222 -0.186 -5.642 1.00 0.00 C ATOM 1449 CD GLU A 97 8.161 -0.170 -4.127 1.00 0.00 C ATOM 1450 OE1 GLU A 97 8.849 -1.001 -3.497 1.00 0.00 O ATOM 1451 OE2 GLU A 97 7.427 0.674 -3.571 1.00 0.00 O ATOM 0 H GLU A 97 5.670 -0.657 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 97 8.203 -1.077 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.180 -2.054 -5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 97 8.832 -2.166 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.211 0.137 -5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.506 0.534 -6.039 1.00 0.00 H new ATOM 1458 N ARG A 98 6.438 -3.709 -7.351 1.00 0.00 N ATOM 1459 CA ARG A 98 6.104 -5.083 -7.703 1.00 0.00 C ATOM 1460 C ARG A 98 4.701 -5.442 -7.224 1.00 0.00 C ATOM 1461 O ARG A 98 3.990 -4.603 -6.668 1.00 0.00 O ATOM 1462 CB ARG A 98 7.124 -6.050 -7.098 1.00 0.00 C ATOM 1463 CG ARG A 98 7.157 -6.027 -5.579 1.00 0.00 C ATOM 1464 CD ARG A 98 8.112 -4.965 -5.057 1.00 0.00 C ATOM 1465 NE ARG A 98 9.451 -5.109 -5.622 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.273 -6.107 -5.319 1.00 0.00 C ATOM 1467 NH1 ARG A 98 9.895 -7.044 -4.461 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.477 -6.169 -5.874 1.00 0.00 N ATOM 0 H ARG A 98 6.081 -3.407 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 98 6.131 -5.169 -8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 98 6.896 -7.062 -7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.115 -5.804 -7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.155 -5.836 -5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.460 -7.005 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.721 -3.976 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.168 -5.030 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 98 9.772 -4.404 -6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.971 -7.000 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.528 -7.809 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.772 -5.450 -6.534 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.107 -6.936 -5.640 1.00 0.00 H new ATOM 1482 N LEU A 99 4.308 -6.692 -7.442 1.00 0.00 N ATOM 1483 CA LEU A 99 2.989 -7.162 -7.032 1.00 0.00 C ATOM 1484 C LEU A 99 3.066 -7.914 -5.707 1.00 0.00 C ATOM 1485 O LEU A 99 4.063 -8.573 -5.413 1.00 0.00 O ATOM 1486 CB LEU A 99 2.391 -8.067 -8.111 1.00 0.00 C ATOM 1487 CG LEU A 99 1.109 -8.808 -7.730 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.020 -7.823 -7.336 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.642 -9.691 -8.878 1.00 0.00 C ATOM 0 H LEU A 99 4.884 -7.398 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 99 2.346 -6.292 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.188 -7.461 -8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.142 -8.804 -8.396 1.00 0.00 H new ATOM 0 HG LEU A 99 1.322 -9.445 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.885 -8.369 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.354 -7.233 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.191 -7.160 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.272 -10.211 -8.589 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.447 -9.074 -9.755 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.416 -10.422 -9.113 1.00 0.00 H new ATOM 1501 N TYR A 100 2.006 -7.811 -4.913 1.00 0.00 N ATOM 1502 CA TYR A 100 1.954 -8.481 -3.619 1.00 0.00 C ATOM 1503 C TYR A 100 0.688 -9.323 -3.492 1.00 0.00 C ATOM 1504 O TYR A 100 -0.365 -8.967 -4.024 1.00 0.00 O ATOM 1505 CB TYR A 100 2.012 -7.454 -2.487 1.00 0.00 C ATOM 1506 CG TYR A 100 3.353 -6.767 -2.362 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.460 -7.444 -1.865 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.513 -5.439 -2.741 1.00 0.00 C ATOM 1509 CE1 TYR A 100 5.687 -6.819 -1.749 1.00 0.00 C ATOM 1510 CE2 TYR A 100 4.736 -4.807 -2.629 1.00 0.00 C ATOM 1511 CZ TYR A 100 5.820 -5.501 -2.132 1.00 0.00 C ATOM 1512 OH TYR A 100 7.040 -4.876 -2.019 1.00 0.00 O ATOM 0 H TYR A 100 1.172 -7.271 -5.142 1.00 0.00 H new ATOM 0 HA TYR A 100 2.817 -9.142 -3.546 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.241 -6.701 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.778 -7.950 -1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.360 -8.476 -1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.667 -4.892 -3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.537 -7.360 -1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.843 -3.775 -2.929 1.00 0.00 H new ATOM 0 HH TYR A 100 6.964 -3.951 -2.332 1.00 0.00 H new ATOM 1522 N LEU A 101 0.797 -10.441 -2.783 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.338 -11.335 -2.584 1.00 0.00 C ATOM 1524 C LEU A 101 -0.500 -11.690 -1.109 1.00 0.00 C ATOM 1525 O LEU A 101 0.188 -12.573 -0.593 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.160 -12.609 -3.411 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.306 -13.619 -3.343 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.575 -13.028 -3.937 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -0.927 -14.905 -4.063 1.00 0.00 C ATOM 0 H LEU A 101 1.660 -10.750 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.239 -10.818 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.015 -12.324 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.754 -13.105 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.495 -13.854 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.379 -13.761 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.857 -12.136 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.399 -12.763 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.754 -15.612 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.710 -14.686 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.045 -15.339 -3.592 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.413 -11.000 -0.436 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.668 -11.243 0.979 1.00 0.00 C ATOM 1543 C LEU A 102 -2.984 -11.988 1.176 1.00 0.00 C ATOM 1544 O LEU A 102 -3.770 -12.138 0.240 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.697 -9.921 1.748 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.413 -9.092 1.706 1.00 0.00 C ATOM 1547 CD1 LEU A 102 -0.373 -8.232 0.452 1.00 0.00 C ATOM 1548 CD2 LEU A 102 -0.296 -8.226 2.952 1.00 0.00 C ATOM 0 H LEU A 102 -1.990 -10.267 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.860 -11.863 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.511 -9.313 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.934 -10.135 2.790 1.00 0.00 H new ATOM 0 HG LEU A 102 0.436 -9.775 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.548 -7.649 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.409 -8.872 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.229 -7.558 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.624 -7.643 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.151 -7.552 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.277 -8.862 3.837 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.219 -12.451 2.399 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.443 -13.176 2.719 1.00 0.00 C ATOM 1562 C ALA A 103 -5.173 -12.530 3.892 1.00 0.00 C ATOM 1563 O ALA A 103 -4.546 -12.037 4.830 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.128 -14.632 3.029 1.00 0.00 C ATOM 0 H ALA A 103 -2.578 -12.337 3.184 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.099 -13.134 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.051 -15.161 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.657 -15.095 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.450 -14.684 3.881 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.500 -12.535 3.832 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.315 -11.951 4.890 1.00 0.00 C ATOM 1572 C ALA A 104 -8.595 -12.752 5.104 1.00 0.00 C ATOM 1573 O ALA A 104 -9.103 -13.410 4.195 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.645 -10.502 4.563 1.00 0.00 C ATOM 0 H ALA A 104 -7.034 -12.937 3.062 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.740 -11.981 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.254 -10.078 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.721 -9.931 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.196 -10.457 3.624 1.00 0.00 H new ATOM 1580 N PRO A 105 -9.130 -12.698 6.332 1.00 0.00 N ATOM 1581 CA PRO A 105 -10.357 -13.413 6.694 1.00 0.00 C ATOM 1582 C PRO A 105 -11.592 -12.821 6.023 1.00 0.00 C ATOM 1583 O PRO A 105 -11.883 -11.634 6.174 1.00 0.00 O ATOM 1584 CB PRO A 105 -10.437 -13.237 8.212 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.677 -11.986 8.489 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.578 -11.934 7.464 1.00 0.00 C ATOM 0 HA PRO A 105 -10.331 -14.454 6.373 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.471 -13.154 8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -10.000 -14.089 8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.323 -11.112 8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.268 -11.993 9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.342 -10.909 7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.657 -12.381 7.839 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.316 -13.654 5.283 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.521 -13.213 4.592 1.00 0.00 C ATOM 1596 C ALA A 106 -14.263 -12.157 5.403 1.00 0.00 C ATOM 1597 O ALA A 106 -14.894 -11.261 4.844 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.431 -14.399 4.308 1.00 0.00 C ATOM 0 H ALA A 106 -12.089 -14.639 5.147 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.223 -12.763 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.327 -14.055 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.905 -15.119 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.714 -14.874 5.248 1.00 0.00 H new ATOM 1604 N ALA A 107 -14.184 -12.269 6.725 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.848 -11.323 7.614 1.00 0.00 C ATOM 1606 C ALA A 107 -14.274 -9.920 7.449 1.00 0.00 C ATOM 1607 O ALA A 107 -15.015 -8.952 7.286 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.724 -11.780 9.059 1.00 0.00 C ATOM 0 H ALA A 107 -13.667 -13.006 7.204 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.904 -11.289 7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.224 -11.064 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -15.188 -12.760 9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.670 -11.844 9.331 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.949 -9.819 7.494 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.276 -8.533 7.351 1.00 0.00 C ATOM 1616 C GLU A 108 -12.135 -8.153 5.880 1.00 0.00 C ATOM 1617 O GLU A 108 -12.361 -7.004 5.500 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.897 -8.577 8.012 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.928 -9.060 9.453 1.00 0.00 C ATOM 1620 CD GLU A 108 -11.203 -7.940 10.437 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -10.479 -6.924 10.396 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -12.141 -8.081 11.249 1.00 0.00 O ATOM 0 H GLU A 108 -12.321 -10.611 7.628 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.885 -7.777 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.246 -9.231 7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.456 -7.580 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.694 -9.828 9.559 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.974 -9.527 9.697 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.760 -9.127 5.057 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.587 -8.895 3.628 1.00 0.00 C ATOM 1631 C ARG A 109 -12.614 -7.890 3.112 1.00 0.00 C ATOM 1632 O ARG A 109 -12.256 -6.848 2.565 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.713 -10.210 2.857 1.00 0.00 C ATOM 1634 CG ARG A 109 -11.162 -10.142 1.442 1.00 0.00 C ATOM 1635 CD ARG A 109 -12.151 -9.490 0.489 1.00 0.00 C ATOM 1636 NE ARG A 109 -13.398 -10.245 0.395 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.573 -11.276 -0.425 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -12.586 -11.672 -1.216 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -14.737 -11.912 -0.454 1.00 0.00 N ATOM 0 H ARG A 109 -11.570 -10.084 5.355 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.590 -8.484 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.189 -10.994 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.764 -10.498 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -10.229 -9.579 1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.928 -11.148 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.365 -8.476 0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.701 -9.408 -0.500 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.177 -9.966 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.690 -11.185 -1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.723 -12.464 -1.845 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.499 -11.610 0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.870 -12.703 -1.084 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.891 -8.213 3.289 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.949 -7.330 2.835 1.00 0.00 C ATOM 1655 C GLY A 110 -14.633 -5.869 3.087 1.00 0.00 C ATOM 1656 O GLY A 110 -14.820 -5.026 2.209 1.00 0.00 O ATOM 0 H GLY A 110 -14.212 -9.070 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -15.114 -7.484 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.878 -7.590 3.342 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.153 -5.567 4.288 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.810 -4.198 4.653 1.00 0.00 C ATOM 1662 C ASP A 111 -12.407 -3.842 4.171 1.00 0.00 C ATOM 1663 O ASP A 111 -12.224 -2.892 3.410 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.904 -4.012 6.168 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.594 -5.287 6.928 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -14.425 -6.218 6.889 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -12.520 -5.353 7.563 1.00 0.00 O ATOM 0 H ASP A 111 -13.993 -6.253 5.026 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.522 -3.530 4.168 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -13.212 -3.230 6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -14.906 -3.672 6.428 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.420 -4.610 4.620 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.033 -4.375 4.235 1.00 0.00 C ATOM 1674 C TRP A 112 -9.946 -3.862 2.802 1.00 0.00 C ATOM 1675 O TRP A 112 -9.537 -2.726 2.562 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.217 -5.660 4.381 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.597 -5.819 5.736 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.707 -6.899 6.566 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.774 -4.868 6.419 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -8.001 -6.675 7.723 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.419 -5.437 7.658 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -7.301 -3.591 6.105 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.614 -4.772 8.579 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.503 -2.932 7.020 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -6.165 -3.523 8.245 1.00 0.00 C ATOM 0 H TRP A 112 -11.555 -5.400 5.251 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.621 -3.615 4.899 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.862 -6.516 4.182 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.431 -5.670 3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.266 -7.796 6.345 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.923 -7.326 8.504 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.555 -3.127 5.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.353 -5.226 9.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -6.133 -1.944 6.787 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.538 -2.982 8.939 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.332 -4.707 1.851 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.298 -4.338 0.441 1.00 0.00 C ATOM 1698 C VAL A 113 -10.916 -2.963 0.217 1.00 0.00 C ATOM 1699 O VAL A 113 -10.364 -2.134 -0.505 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.041 -5.371 -0.428 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.215 -4.850 -1.846 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.300 -6.700 -0.426 1.00 0.00 C ATOM 0 H VAL A 113 -10.672 -5.652 2.032 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.249 -4.313 0.146 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.031 -5.533 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.742 -5.593 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.792 -3.925 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.236 -4.657 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.839 -7.418 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.296 -6.557 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.234 -7.078 0.594 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.066 -2.729 0.842 1.00 0.00 N ATOM 1713 CA GLN A 114 -12.760 -1.453 0.710 1.00 0.00 C ATOM 1714 C GLN A 114 -11.945 -0.324 1.332 1.00 0.00 C ATOM 1715 O GLN A 114 -11.453 0.559 0.630 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.138 -1.528 1.371 1.00 0.00 C ATOM 1717 CG GLN A 114 -14.882 -0.202 1.378 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.332 -0.349 1.793 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -16.849 -1.462 1.902 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -16.998 0.775 2.028 1.00 0.00 N ATOM 0 H GLN A 114 -12.536 -3.405 1.444 1.00 0.00 H new ATOM 0 HA GLN A 114 -12.885 -1.243 -0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.742 -2.271 0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -14.021 -1.875 2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -14.382 0.487 2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.836 0.241 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.530 1.676 1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.977 0.738 2.311 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.808 -0.358 2.654 1.00 0.00 N ATOM 1730 CA ALA A 115 -11.052 0.662 3.370 1.00 0.00 C ATOM 1731 C ALA A 115 -9.744 0.980 2.653 1.00 0.00 C ATOM 1732 O ALA A 115 -9.458 2.139 2.350 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.777 0.211 4.797 1.00 0.00 C ATOM 0 H ALA A 115 -12.211 -1.081 3.250 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.652 1.572 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.212 0.982 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.722 0.041 5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.200 -0.714 4.782 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.954 -0.054 2.385 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.677 0.116 1.704 1.00 0.00 C ATOM 1741 C ILE A 116 -7.813 1.054 0.509 1.00 0.00 C ATOM 1742 O ILE A 116 -6.913 1.845 0.222 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.112 -1.233 1.221 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.633 -2.065 2.412 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.976 -1.008 0.234 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.318 -3.501 2.058 1.00 0.00 C ATOM 0 H ILE A 116 -9.176 -1.019 2.629 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.988 0.550 2.429 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.905 -1.782 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.743 -1.600 2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.399 -2.050 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.587 -1.970 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.346 -0.450 -0.626 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.180 -0.442 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -5.985 -4.031 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.212 -3.983 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.530 -3.526 1.305 1.00 0.00 H new ATOM 1758 N CYS A 117 -8.943 0.963 -0.183 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.198 1.804 -1.346 1.00 0.00 C ATOM 1760 C CYS A 117 -9.527 3.232 -0.923 1.00 0.00 C ATOM 1761 O CYS A 117 -8.974 4.194 -1.459 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.345 1.228 -2.177 1.00 0.00 C ATOM 1763 SG CYS A 117 -9.817 0.075 -3.466 1.00 0.00 S ATOM 0 H CYS A 117 -9.698 0.315 0.042 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.294 1.824 -1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -11.041 0.718 -1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -10.891 2.049 -2.641 1.00 0.00 H new ATOM 0 HG CYS A 117 -8.864 0.614 -4.167 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.432 3.364 0.040 1.00 0.00 N ATOM 1770 CA LEU A 118 -10.838 4.675 0.535 1.00 0.00 C ATOM 1771 C LEU A 118 -9.630 5.592 0.702 1.00 0.00 C ATOM 1772 O LEU A 118 -9.716 6.799 0.473 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.573 4.534 1.869 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.089 4.356 1.784 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -13.449 2.882 1.687 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -13.769 4.995 2.985 1.00 0.00 C ATOM 0 H LEU A 118 -10.899 2.579 0.494 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.511 5.120 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.156 3.679 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.364 5.418 2.471 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.444 4.855 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.532 2.775 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -12.992 2.454 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.081 2.359 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.848 4.859 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.408 4.525 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.539 6.060 3.009 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.503 5.010 1.099 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.276 5.774 1.294 1.00 0.00 C ATOM 1790 C LEU A 119 -6.338 5.611 0.103 1.00 0.00 C ATOM 1791 O LEU A 119 -5.897 6.594 -0.492 1.00 0.00 O ATOM 1792 CB LEU A 119 -6.572 5.326 2.577 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.258 5.712 3.888 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -6.582 5.025 5.065 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.247 7.222 4.071 1.00 0.00 C ATOM 0 H LEU A 119 -8.414 4.012 1.292 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.543 6.827 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -6.467 4.241 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.565 5.744 2.580 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.295 5.379 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.083 5.311 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.642 3.944 4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.536 5.327 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.739 7.478 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.217 7.578 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.777 7.693 3.243 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.038 4.363 -0.242 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.156 4.071 -1.365 1.00 0.00 C ATOM 1809 C ALA A 120 -5.422 5.016 -2.532 1.00 0.00 C ATOM 1810 O ALA A 120 -4.501 5.637 -3.063 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.325 2.625 -1.807 1.00 0.00 C ATOM 0 H ALA A 120 -6.393 3.538 0.241 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.128 4.222 -1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.660 2.421 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.079 1.960 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.358 2.456 -2.113 1.00 0.00 H new ATOM 1817 N PHE A 121 -6.687 5.121 -2.927 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.073 5.990 -4.032 1.00 0.00 C ATOM 1819 C PHE A 121 -7.969 7.124 -3.544 1.00 0.00 C ATOM 1820 O PHE A 121 -9.013 7.403 -4.134 1.00 0.00 O ATOM 1821 CB PHE A 121 -7.795 5.184 -5.114 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.227 3.808 -5.315 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.485 2.798 -4.403 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.435 3.525 -6.417 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -6.965 1.530 -4.585 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -5.913 2.259 -6.604 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.177 1.261 -5.687 1.00 0.00 C ATOM 0 H PHE A 121 -7.462 4.615 -2.498 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.167 6.423 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.849 5.098 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.746 5.730 -6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.100 3.003 -3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -6.224 4.302 -7.137 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.175 0.751 -3.867 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.299 2.050 -7.467 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.768 0.272 -5.831 1.00 0.00 H new