USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 60 LYS NZ :NH3+ -165:sc= -1.05! (180deg=-0.811) USER MOD Set 1.2: A 84 GLN : amide:sc= -1.38 K(o=-2.4,f=-6.4) USER MOD Set 2.1: A 24 SER OG : rot -111:sc= 1.21 USER MOD Set 2.2: A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -91:sc= 0.77 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.51 F(o=-3.8!,f=-0.51) USER MOD Single : A 26 THR OG1 : rot 166:sc= -4.1! USER MOD Single : A 27 SER OG : rot 141:sc= 1.76 USER MOD Single : A 29 LYS NZ :NH3+ 146:sc= 1.2 (180deg=0.754) USER MOD Single : A 45 SER OG : rot 44:sc= 0.486 USER MOD Single : A 48 THR OG1 : rot -140:sc= 0.971 USER MOD Single : A 52 THR OG1 : rot 64:sc= 0.543 USER MOD Single : A 54 SER OG : rot -8:sc= 0.898 USER MOD Single : A 56 ASN : amide:sc= -1.03 K(o=-1,f=-1.8) USER MOD Single : A 62 GLN : amide:sc= -6.74! C(o=-6.7!,f=-8.9!) USER MOD Single : A 64 GLN :FLIP amide:sc= -1.07 F(o=-3!,f=-1.1) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 70 THR OG1 : rot -47:sc= 0.98 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0773 K(o=-0.077,f=-0.76) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 82 THR OG1 : rot 18:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 6 -6.919 -10.227 0.218 1.00 0.00 N ATOM 90 CA ARG A 6 -7.553 -8.944 0.378 1.00 0.00 C ATOM 91 C ARG A 6 -7.143 -8.577 1.731 1.00 0.00 C ATOM 92 O ARG A 6 -6.927 -9.467 2.547 1.00 0.00 O ATOM 93 CB ARG A 6 -9.073 -8.908 0.197 1.00 0.00 C ATOM 94 CG ARG A 6 -9.869 -8.901 1.503 1.00 0.00 C ATOM 95 CD ARG A 6 -10.008 -7.493 2.086 1.00 0.00 C ATOM 96 NE ARG A 6 -10.927 -6.645 1.324 1.00 0.00 N ATOM 97 CZ ARG A 6 -11.042 -5.323 1.504 1.00 0.00 C ATOM 98 NH1 ARG A 6 -10.303 -4.708 2.424 1.00 0.00 N ATOM 99 NH2 ARG A 6 -11.890 -4.617 0.762 1.00 0.00 N ATOM 0 HA ARG A 6 -7.247 -8.251 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.336 -8.021 -0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.376 -9.773 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.860 -9.318 1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.377 -9.547 2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.359 -7.565 3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.026 -7.020 2.116 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.513 -7.087 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.648 -5.244 2.993 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.392 -3.701 2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.456 -5.082 0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.974 -3.610 0.902 1.00 0.00 H new ATOM 113 N LEU A 7 -6.948 -7.329 1.997 1.00 0.00 N ATOM 114 CA LEU A 7 -6.004 -7.157 3.015 1.00 0.00 C ATOM 115 C LEU A 7 -5.983 -5.788 3.681 1.00 0.00 C ATOM 116 O LEU A 7 -6.762 -4.896 3.360 1.00 0.00 O ATOM 117 CB LEU A 7 -4.634 -7.579 2.488 1.00 0.00 C ATOM 118 CG LEU A 7 -4.064 -6.819 1.290 1.00 0.00 C ATOM 119 CD1 LEU A 7 -5.047 -6.560 0.194 1.00 0.00 C ATOM 120 CD2 LEU A 7 -3.514 -5.499 1.741 1.00 0.00 C ATOM 0 H LEU A 7 -7.378 -6.506 1.574 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.309 -7.804 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.920 -7.496 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.689 -8.634 2.219 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.290 -7.468 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.557 -6.017 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.427 -7.508 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.875 -5.966 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.109 -4.961 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.310 -4.909 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.723 -5.665 2.472 1.00 0.00 H new ATOM 132 N PHE A 8 -5.077 -5.648 4.625 1.00 0.00 N ATOM 133 CA PHE A 8 -4.930 -4.405 5.366 1.00 0.00 C ATOM 134 C PHE A 8 -3.488 -3.928 5.320 1.00 0.00 C ATOM 135 O PHE A 8 -2.628 -4.483 5.987 1.00 0.00 O ATOM 136 CB PHE A 8 -5.373 -4.605 6.818 1.00 0.00 C ATOM 137 CG PHE A 8 -5.181 -3.396 7.696 1.00 0.00 C ATOM 138 CD1 PHE A 8 -5.291 -2.114 7.181 1.00 0.00 C ATOM 139 CD2 PHE A 8 -4.889 -3.547 9.040 1.00 0.00 C ATOM 140 CE1 PHE A 8 -5.118 -1.011 7.991 1.00 0.00 C ATOM 141 CE2 PHE A 8 -4.715 -2.445 9.857 1.00 0.00 C ATOM 142 CZ PHE A 8 -4.829 -1.176 9.330 1.00 0.00 C ATOM 0 H PHE A 8 -4.425 -6.382 4.902 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.562 -3.646 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.427 -4.884 6.829 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.817 -5.441 7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.515 -1.977 6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.796 -4.539 9.457 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.209 -0.018 7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.490 -2.578 10.905 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.692 -0.313 9.964 1.00 0.00 H new ATOM 152 N ALA A 9 -3.229 -2.903 4.530 1.00 0.00 N ATOM 153 CA ALA A 9 -1.879 -2.385 4.433 1.00 0.00 C ATOM 154 C ALA A 9 -1.718 -1.131 5.277 1.00 0.00 C ATOM 155 O ALA A 9 -2.552 -0.226 5.226 1.00 0.00 O ATOM 156 CB ALA A 9 -1.525 -2.096 2.986 1.00 0.00 C ATOM 0 H ALA A 9 -3.921 -2.421 3.957 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.196 -3.144 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.508 -1.708 2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.595 -3.015 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.218 -1.357 2.582 1.00 0.00 H new ATOM 162 N ILE A 10 -0.663 -1.093 6.071 1.00 0.00 N ATOM 163 CA ILE A 10 -0.354 0.095 6.858 1.00 0.00 C ATOM 164 C ILE A 10 0.745 0.894 6.163 1.00 0.00 C ATOM 165 O ILE A 10 1.925 0.593 6.311 1.00 0.00 O ATOM 166 CB ILE A 10 0.086 -0.246 8.307 1.00 0.00 C ATOM 167 CG1 ILE A 10 -1.023 -0.977 9.073 1.00 0.00 C ATOM 168 CG2 ILE A 10 0.481 1.016 9.062 1.00 0.00 C ATOM 169 CD1 ILE A 10 -1.138 -2.449 8.742 1.00 0.00 C ATOM 0 H ILE A 10 -0.007 -1.865 6.190 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.268 0.685 6.929 1.00 0.00 H new ATOM 0 HB ILE A 10 0.950 -0.907 8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.842 -0.870 10.143 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.976 -0.493 8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.786 0.754 10.075 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.310 1.503 8.548 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.370 1.696 9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.945 -2.891 9.326 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.352 -2.567 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.200 -2.950 8.982 1.00 0.00 H new ATOM 181 N LEU A 11 0.344 1.907 5.407 1.00 0.00 N ATOM 182 CA LEU A 11 1.292 2.648 4.587 1.00 0.00 C ATOM 183 C LEU A 11 1.950 3.745 5.402 1.00 0.00 C ATOM 184 O LEU A 11 1.318 4.742 5.751 1.00 0.00 O ATOM 185 CB LEU A 11 0.607 3.264 3.357 1.00 0.00 C ATOM 186 CG LEU A 11 0.010 2.274 2.348 1.00 0.00 C ATOM 187 CD1 LEU A 11 0.997 1.169 2.026 1.00 0.00 C ATOM 188 CD2 LEU A 11 -1.300 1.696 2.858 1.00 0.00 C ATOM 0 H LEU A 11 -0.621 2.232 5.344 1.00 0.00 H new ATOM 0 HA LEU A 11 2.050 1.944 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.189 3.923 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.334 3.888 2.836 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.200 2.820 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.551 0.480 1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.901 1.602 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.249 0.629 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.700 0.998 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.125 1.173 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.015 2.503 3.019 1.00 0.00 H new ATOM 200 N ARG A 12 3.210 3.543 5.726 1.00 0.00 N ATOM 201 CA ARG A 12 3.964 4.531 6.496 1.00 0.00 C ATOM 202 C ARG A 12 5.253 4.890 5.766 1.00 0.00 C ATOM 203 O ARG A 12 5.892 4.010 5.183 1.00 0.00 O ATOM 204 CB ARG A 12 4.272 3.982 7.896 1.00 0.00 C ATOM 205 CG ARG A 12 3.026 3.573 8.676 1.00 0.00 C ATOM 206 CD ARG A 12 2.161 4.776 9.014 1.00 0.00 C ATOM 207 NE ARG A 12 0.786 4.409 9.362 1.00 0.00 N ATOM 208 CZ ARG A 12 -0.047 5.197 10.045 1.00 0.00 C ATOM 209 NH1 ARG A 12 0.379 6.358 10.534 1.00 0.00 N ATOM 210 NH2 ARG A 12 -1.309 4.821 10.240 1.00 0.00 N ATOM 0 H ARG A 12 3.739 2.709 5.473 1.00 0.00 H new ATOM 0 HA ARG A 12 3.363 5.434 6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.932 3.120 7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.814 4.738 8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.446 2.860 8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.321 3.066 9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.609 5.317 9.847 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.146 5.457 8.163 1.00 0.00 H new ATOM 0 HE ARG A 12 0.444 3.495 9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.346 6.649 10.388 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.261 6.957 11.055 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.639 3.931 9.867 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.946 5.423 10.762 1.00 0.00 H new ATOM 224 N LEU A 13 5.640 6.173 5.761 1.00 0.00 N ATOM 225 CA LEU A 13 6.869 6.498 5.096 1.00 0.00 C ATOM 226 C LEU A 13 8.001 6.167 6.037 1.00 0.00 C ATOM 227 O LEU A 13 7.897 6.335 7.250 1.00 0.00 O ATOM 228 CB LEU A 13 6.978 7.974 4.679 1.00 0.00 C ATOM 229 CG LEU A 13 5.700 8.670 4.202 1.00 0.00 C ATOM 230 CD1 LEU A 13 6.054 9.936 3.446 1.00 0.00 C ATOM 231 CD2 LEU A 13 4.819 7.780 3.345 1.00 0.00 C ATOM 0 H LEU A 13 5.139 6.951 6.190 1.00 0.00 H new ATOM 0 HA LEU A 13 6.909 5.917 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.370 8.535 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.717 8.044 3.881 1.00 0.00 H new ATOM 0 HG LEU A 13 5.122 8.914 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.141 10.426 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.607 10.609 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.670 9.684 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.930 8.333 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.372 7.465 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.521 6.902 3.919 1.00 0.00 H new ATOM 243 N ALA A 14 9.064 5.707 5.452 1.00 0.00 N ATOM 244 CA ALA A 14 10.248 5.249 6.190 1.00 0.00 C ATOM 245 C ALA A 14 10.905 6.388 6.964 1.00 0.00 C ATOM 246 O ALA A 14 11.731 6.163 7.847 1.00 0.00 O ATOM 247 CB ALA A 14 11.248 4.613 5.235 1.00 0.00 C ATOM 0 H ALA A 14 9.156 5.630 4.439 1.00 0.00 H new ATOM 0 HA ALA A 14 9.921 4.504 6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.122 4.277 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.785 3.760 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.554 5.345 4.488 1.00 0.00 H new ATOM 253 N ASP A 15 10.530 7.606 6.611 1.00 0.00 N ATOM 254 CA ASP A 15 11.018 8.803 7.285 1.00 0.00 C ATOM 255 C ASP A 15 10.344 8.973 8.647 1.00 0.00 C ATOM 256 O ASP A 15 10.939 9.487 9.593 1.00 0.00 O ATOM 257 CB ASP A 15 10.749 10.019 6.392 1.00 0.00 C ATOM 258 CG ASP A 15 10.743 11.333 7.144 1.00 0.00 C ATOM 259 OD1 ASP A 15 11.827 11.910 7.353 1.00 0.00 O ATOM 260 OD2 ASP A 15 9.636 11.795 7.505 1.00 0.00 O ATOM 0 H ASP A 15 9.879 7.796 5.849 1.00 0.00 H new ATOM 0 HA ASP A 15 12.090 8.709 7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.508 10.061 5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.787 9.889 5.896 1.00 0.00 H new ATOM 265 N GLY A 16 9.113 8.496 8.745 1.00 0.00 N ATOM 266 CA GLY A 16 8.329 8.698 9.945 1.00 0.00 C ATOM 267 C GLY A 16 7.125 9.559 9.653 1.00 0.00 C ATOM 268 O GLY A 16 6.218 9.695 10.474 1.00 0.00 O ATOM 0 H GLY A 16 8.640 7.969 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.007 7.735 10.342 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.943 9.170 10.712 1.00 0.00 H new ATOM 272 N SER A 17 7.132 10.143 8.468 1.00 0.00 N ATOM 273 CA SER A 17 6.007 10.923 8.000 1.00 0.00 C ATOM 274 C SER A 17 4.985 10.035 7.302 1.00 0.00 C ATOM 275 O SER A 17 5.273 8.870 6.985 1.00 0.00 O ATOM 276 CB SER A 17 6.510 11.997 7.040 1.00 0.00 C ATOM 277 OG SER A 17 7.432 11.454 6.114 1.00 0.00 O ATOM 0 H SER A 17 7.910 10.089 7.811 1.00 0.00 H new ATOM 0 HA SER A 17 5.519 11.391 8.855 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.668 12.436 6.506 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.984 12.801 7.603 1.00 0.00 H new ATOM 0 HG SER A 17 8.341 11.534 6.472 1.00 0.00 H new ATOM 283 N GLN A 18 3.782 10.580 7.103 1.00 0.00 N ATOM 284 CA GLN A 18 2.750 9.932 6.299 1.00 0.00 C ATOM 285 C GLN A 18 1.704 10.915 5.798 1.00 0.00 C ATOM 286 O GLN A 18 1.889 11.545 4.770 1.00 0.00 O ATOM 287 CB GLN A 18 1.974 8.799 6.960 1.00 0.00 C ATOM 288 CG GLN A 18 2.771 7.707 7.644 1.00 0.00 C ATOM 289 CD GLN A 18 3.094 8.025 9.095 1.00 0.00 C ATOM 290 OE1 GLN A 18 2.239 8.803 9.748 1.00 0.00 O flip ATOM 291 NE2 GLN A 18 4.094 7.560 9.629 1.00 0.00 N flip ATOM 0 H GLN A 18 3.500 11.479 7.494 1.00 0.00 H new ATOM 0 HA GLN A 18 3.351 9.506 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.303 9.238 7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.349 8.332 6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.210 6.773 7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.701 7.547 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.728 6.966 9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.292 7.767 10.608 1.00 0.00 H new ATOM 300 N PRO A 19 0.619 11.094 6.590 1.00 0.00 N ATOM 301 CA PRO A 19 -0.757 11.104 6.109 1.00 0.00 C ATOM 302 C PRO A 19 -0.924 11.457 4.644 1.00 0.00 C ATOM 303 O PRO A 19 -0.862 12.620 4.237 1.00 0.00 O ATOM 304 CB PRO A 19 -1.425 12.163 6.996 1.00 0.00 C ATOM 305 CG PRO A 19 -0.495 12.391 8.155 1.00 0.00 C ATOM 306 CD PRO A 19 0.640 11.411 8.019 1.00 0.00 C ATOM 0 HA PRO A 19 -1.191 10.106 6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.589 13.087 6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.401 11.821 7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.121 13.415 8.152 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.017 12.245 9.101 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.591 11.848 8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.485 10.524 8.633 1.00 0.00 H new ATOM 314 N PRO A 20 -1.111 10.405 3.835 1.00 0.00 N ATOM 315 CA PRO A 20 -1.623 10.485 2.496 1.00 0.00 C ATOM 316 C PRO A 20 -3.002 9.875 2.382 1.00 0.00 C ATOM 317 O PRO A 20 -3.162 8.674 2.179 1.00 0.00 O ATOM 318 CB PRO A 20 -0.615 9.630 1.765 1.00 0.00 C ATOM 319 CG PRO A 20 -0.160 8.595 2.762 1.00 0.00 C ATOM 320 CD PRO A 20 -0.682 9.033 4.110 1.00 0.00 C ATOM 0 HA PRO A 20 -1.734 11.504 2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.062 9.160 0.889 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.224 10.229 1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.544 7.609 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.927 8.520 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.507 8.408 4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.089 8.992 4.880 1.00 0.00 H new ATOM 328 N PHE A 21 -3.998 10.692 2.459 1.00 0.00 N ATOM 329 CA PHE A 21 -5.321 10.154 2.552 1.00 0.00 C ATOM 330 C PHE A 21 -5.963 10.157 1.180 1.00 0.00 C ATOM 331 O PHE A 21 -6.235 11.193 0.584 1.00 0.00 O ATOM 332 CB PHE A 21 -6.050 10.942 3.618 1.00 0.00 C ATOM 333 CG PHE A 21 -7.426 11.441 3.265 1.00 0.00 C ATOM 334 CD1 PHE A 21 -8.527 10.608 3.388 1.00 0.00 C ATOM 335 CD2 PHE A 21 -7.620 12.742 2.828 1.00 0.00 C ATOM 336 CE1 PHE A 21 -9.794 11.059 3.079 1.00 0.00 C ATOM 337 CE2 PHE A 21 -8.886 13.200 2.518 1.00 0.00 C ATOM 338 CZ PHE A 21 -9.975 12.358 2.643 1.00 0.00 C ATOM 0 H PHE A 21 -3.931 11.710 2.460 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.343 9.109 2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.132 10.317 4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.435 11.801 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.391 9.593 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.773 13.404 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.643 10.398 3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.025 14.216 2.178 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.965 12.714 2.400 1.00 0.00 H new ATOM 348 N GLY A 22 -6.152 8.959 0.671 1.00 0.00 N ATOM 349 CA GLY A 22 -6.403 8.800 -0.720 1.00 0.00 C ATOM 350 C GLY A 22 -5.153 8.286 -1.363 1.00 0.00 C ATOM 351 O GLY A 22 -5.007 8.324 -2.581 1.00 0.00 O ATOM 0 H GLY A 22 -6.134 8.092 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.227 8.105 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.696 9.751 -1.165 1.00 0.00 H new ATOM 355 N ALA A 23 -4.217 7.843 -0.506 1.00 0.00 N ATOM 356 CA ALA A 23 -3.013 7.208 -0.994 1.00 0.00 C ATOM 357 C ALA A 23 -3.363 5.973 -1.788 1.00 0.00 C ATOM 358 O ALA A 23 -3.610 4.903 -1.229 1.00 0.00 O ATOM 359 CB ALA A 23 -2.068 6.862 0.138 1.00 0.00 C ATOM 0 H ALA A 23 -4.282 7.918 0.509 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.500 7.916 -1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.174 6.386 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.787 7.772 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.562 6.178 0.828 1.00 0.00 H new ATOM 365 N SER A 24 -3.466 6.192 -3.080 1.00 0.00 N ATOM 366 CA SER A 24 -3.689 5.147 -4.061 1.00 0.00 C ATOM 367 C SER A 24 -2.472 4.251 -4.178 1.00 0.00 C ATOM 368 O SER A 24 -1.530 4.577 -4.897 1.00 0.00 O ATOM 369 CB SER A 24 -3.972 5.782 -5.423 1.00 0.00 C ATOM 370 OG SER A 24 -5.329 5.624 -5.800 1.00 0.00 O ATOM 0 H SER A 24 -3.396 7.123 -3.490 1.00 0.00 H new ATOM 0 HA SER A 24 -4.540 4.546 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.724 6.843 -5.389 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.329 5.329 -6.177 1.00 0.00 H new ATOM 0 HG SER A 24 -5.387 5.012 -6.563 1.00 0.00 H new ATOM 376 N VAL A 25 -2.468 3.149 -3.450 1.00 0.00 N ATOM 377 CA VAL A 25 -1.404 2.191 -3.635 1.00 0.00 C ATOM 378 C VAL A 25 -1.739 1.315 -4.836 1.00 0.00 C ATOM 379 O VAL A 25 -2.692 0.491 -4.793 1.00 0.00 O ATOM 380 CB VAL A 25 -1.128 1.331 -2.372 1.00 0.00 C ATOM 381 CG1 VAL A 25 -0.763 2.213 -1.190 1.00 0.00 C ATOM 382 CG2 VAL A 25 -2.304 0.450 -2.005 1.00 0.00 C ATOM 0 H VAL A 25 -3.166 2.903 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.481 2.742 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.288 0.681 -2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.574 1.590 -0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.133 2.787 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.586 2.896 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.060 -0.131 -1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.176 1.072 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.524 -0.226 -2.831 1.00 0.00 H new ATOM 392 N THR A 26 -0.981 1.532 -5.920 1.00 0.00 N ATOM 393 CA THR A 26 -1.243 0.852 -7.176 1.00 0.00 C ATOM 394 C THR A 26 0.052 0.322 -7.754 1.00 0.00 C ATOM 395 O THR A 26 1.018 1.046 -7.871 1.00 0.00 O ATOM 396 CB THR A 26 -1.931 1.784 -8.203 1.00 0.00 C ATOM 397 OG1 THR A 26 -2.082 1.112 -9.439 1.00 0.00 O ATOM 398 CG2 THR A 26 -1.161 3.079 -8.415 1.00 0.00 C ATOM 0 H THR A 26 -0.187 2.172 -5.943 1.00 0.00 H new ATOM 0 HA THR A 26 -1.922 0.025 -6.969 1.00 0.00 H new ATOM 0 HB THR A 26 -2.909 2.046 -7.798 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.707 1.609 -10.007 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.684 3.698 -9.144 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.086 3.616 -7.470 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.161 2.851 -8.784 1.00 0.00 H new ATOM 406 N SER A 27 0.080 -0.936 -8.125 1.00 0.00 N ATOM 407 CA SER A 27 1.353 -1.485 -8.540 1.00 0.00 C ATOM 408 C SER A 27 1.617 -1.050 -9.966 1.00 0.00 C ATOM 409 O SER A 27 0.768 -1.246 -10.820 1.00 0.00 O ATOM 410 CB SER A 27 1.375 -3.010 -8.356 1.00 0.00 C ATOM 411 OG SER A 27 1.662 -3.700 -9.559 1.00 0.00 O ATOM 0 H SER A 27 -0.717 -1.572 -8.150 1.00 0.00 H new ATOM 0 HA SER A 27 2.160 -1.104 -7.915 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.121 -3.271 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.409 -3.340 -7.974 1.00 0.00 H new ATOM 0 HG SER A 27 2.251 -4.459 -9.368 1.00 0.00 H new ATOM 417 N GLU A 28 2.826 -0.535 -10.186 1.00 0.00 N ATOM 418 CA GLU A 28 3.206 0.354 -11.308 1.00 0.00 C ATOM 419 C GLU A 28 2.230 0.447 -12.498 1.00 0.00 C ATOM 420 O GLU A 28 1.851 1.554 -12.878 1.00 0.00 O ATOM 421 CB GLU A 28 4.604 -0.034 -11.778 1.00 0.00 C ATOM 422 CG GLU A 28 5.651 0.238 -10.711 1.00 0.00 C ATOM 423 CD GLU A 28 6.980 -0.426 -10.980 1.00 0.00 C ATOM 424 OE1 GLU A 28 7.804 0.149 -11.717 1.00 0.00 O ATOM 425 OE2 GLU A 28 7.231 -1.505 -10.408 1.00 0.00 O ATOM 0 H GLU A 28 3.611 -0.729 -9.564 1.00 0.00 H new ATOM 0 HA GLU A 28 3.172 1.363 -10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.619 -1.092 -12.041 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.852 0.523 -12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.803 1.314 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.272 -0.104 -9.748 1.00 0.00 H new ATOM 432 N LYS A 29 1.817 -0.671 -13.091 1.00 0.00 N ATOM 433 CA LYS A 29 0.929 -0.595 -14.261 1.00 0.00 C ATOM 434 C LYS A 29 -0.454 -0.013 -13.897 1.00 0.00 C ATOM 435 O LYS A 29 -1.227 0.380 -14.775 1.00 0.00 O ATOM 436 CB LYS A 29 0.741 -1.979 -14.890 1.00 0.00 C ATOM 437 CG LYS A 29 0.186 -1.922 -16.307 1.00 0.00 C ATOM 438 CD LYS A 29 -0.847 -3.009 -16.564 1.00 0.00 C ATOM 439 CE LYS A 29 -2.122 -2.775 -15.760 1.00 0.00 C ATOM 440 NZ LYS A 29 -2.748 -1.458 -16.069 1.00 0.00 N ATOM 0 H LYS A 29 2.070 -1.614 -12.797 1.00 0.00 H new ATOM 0 HA LYS A 29 1.408 0.073 -14.977 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.699 -2.499 -14.902 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.068 -2.566 -14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.266 -0.945 -16.479 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.004 -2.025 -17.020 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.087 -3.039 -17.627 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.426 -3.980 -16.304 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.834 -3.573 -15.971 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.893 -2.826 -14.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.783 -1.543 -16.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.418 -0.748 -15.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.480 -1.163 -17.030 1.00 0.00 H new ATOM 454 N GLY A 30 -0.766 -0.009 -12.611 1.00 0.00 N ATOM 455 CA GLY A 30 -2.020 0.490 -12.140 1.00 0.00 C ATOM 456 C GLY A 30 -2.815 -0.639 -11.575 1.00 0.00 C ATOM 457 O GLY A 30 -4.030 -0.719 -11.744 1.00 0.00 O ATOM 0 H GLY A 30 -0.149 -0.354 -11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.859 1.254 -11.379 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.567 0.963 -12.956 1.00 0.00 H new ATOM 461 N ARG A 31 -2.102 -1.547 -10.935 1.00 0.00 N ATOM 462 CA ARG A 31 -2.771 -2.580 -10.204 1.00 0.00 C ATOM 463 C ARG A 31 -3.169 -2.014 -8.857 1.00 0.00 C ATOM 464 O ARG A 31 -2.420 -2.106 -7.891 1.00 0.00 O ATOM 465 CB ARG A 31 -1.865 -3.800 -10.045 1.00 0.00 C ATOM 466 CG ARG A 31 -1.785 -4.663 -11.293 1.00 0.00 C ATOM 467 CD ARG A 31 -0.478 -5.442 -11.367 1.00 0.00 C ATOM 468 NE ARG A 31 -0.043 -5.941 -10.064 1.00 0.00 N ATOM 469 CZ ARG A 31 -0.279 -7.166 -9.604 1.00 0.00 C ATOM 470 NH1 ARG A 31 -0.992 -8.030 -10.321 1.00 0.00 N ATOM 471 NH2 ARG A 31 0.204 -7.530 -8.429 1.00 0.00 N ATOM 0 H ARG A 31 -1.083 -1.583 -10.912 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.659 -2.911 -10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.862 -3.466 -9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.229 -4.407 -9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.623 -5.360 -11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.881 -4.032 -12.177 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.599 -6.282 -12.051 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.299 -4.801 -11.784 1.00 0.00 H new ATOM 0 HE ARG A 31 0.480 -5.303 -9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.362 -7.755 -11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.169 -8.968 -9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.756 -6.872 -7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.025 -8.469 -8.073 1.00 0.00 H new ATOM 485 N GLU A 32 -4.332 -1.395 -8.822 1.00 0.00 N ATOM 486 CA GLU A 32 -4.779 -0.676 -7.644 1.00 0.00 C ATOM 487 C GLU A 32 -5.167 -1.635 -6.536 1.00 0.00 C ATOM 488 O GLU A 32 -6.212 -2.283 -6.588 1.00 0.00 O ATOM 489 CB GLU A 32 -5.936 0.246 -8.016 1.00 0.00 C ATOM 490 CG GLU A 32 -5.479 1.536 -8.681 1.00 0.00 C ATOM 491 CD GLU A 32 -5.116 2.609 -7.665 1.00 0.00 C ATOM 492 OE1 GLU A 32 -4.389 2.299 -6.704 1.00 0.00 O ATOM 493 OE2 GLU A 32 -5.559 3.764 -7.830 1.00 0.00 O ATOM 0 H GLU A 32 -4.989 -1.375 -9.602 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.958 -0.067 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.613 -0.282 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.503 0.488 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.616 1.330 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.270 1.907 -9.332 1.00 0.00 H new ATOM 500 N LEU A 33 -4.296 -1.732 -5.547 1.00 0.00 N ATOM 501 CA LEU A 33 -4.504 -2.649 -4.445 1.00 0.00 C ATOM 502 C LEU A 33 -5.367 -1.993 -3.375 1.00 0.00 C ATOM 503 O LEU A 33 -6.181 -2.676 -2.732 1.00 0.00 O ATOM 504 CB LEU A 33 -3.160 -3.091 -3.859 1.00 0.00 C ATOM 505 CG LEU A 33 -2.130 -3.597 -4.878 1.00 0.00 C ATOM 506 CD1 LEU A 33 -0.914 -4.168 -4.169 1.00 0.00 C ATOM 507 CD2 LEU A 33 -2.741 -4.639 -5.806 1.00 0.00 C ATOM 0 H LEU A 33 -3.437 -1.185 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.023 -3.533 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.726 -2.251 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.343 -3.881 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.814 -2.748 -5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.195 -4.522 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.453 -3.393 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.220 -4.999 -3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.988 -4.979 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.095 -5.486 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.578 -4.198 -6.347 1.00 0.00 H new ATOM 519 N GLY A 34 -5.199 -0.669 -3.181 1.00 0.00 N ATOM 520 CA GLY A 34 -6.037 0.024 -2.193 1.00 0.00 C ATOM 521 C GLY A 34 -5.685 1.494 -1.996 1.00 0.00 C ATOM 522 O GLY A 34 -4.882 2.040 -2.740 1.00 0.00 O ATOM 0 H GLY A 34 -4.523 -0.084 -3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.080 -0.050 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.951 -0.490 -1.236 1.00 0.00 H new ATOM 526 N MET A 35 -6.294 2.135 -0.978 1.00 0.00 N ATOM 527 CA MET A 35 -6.144 3.591 -0.758 1.00 0.00 C ATOM 528 C MET A 35 -6.234 3.945 0.722 1.00 0.00 C ATOM 529 O MET A 35 -7.096 3.425 1.433 1.00 0.00 O ATOM 530 CB MET A 35 -7.237 4.341 -1.509 1.00 0.00 C ATOM 531 CG MET A 35 -7.288 3.945 -2.957 1.00 0.00 C ATOM 532 SD MET A 35 -8.894 4.238 -3.724 1.00 0.00 S ATOM 533 CE MET A 35 -8.562 3.693 -5.399 1.00 0.00 C ATOM 0 H MET A 35 -6.893 1.670 -0.296 1.00 0.00 H new ATOM 0 HA MET A 35 -5.160 3.881 -1.127 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.202 4.141 -1.043 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.062 5.414 -1.431 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.526 4.499 -3.505 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.039 2.888 -3.046 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.461 3.810 -6.005 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.757 4.293 -5.824 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.266 2.644 -5.388 1.00 0.00 H new ATOM 543 N VAL A 36 -5.335 4.817 1.182 1.00 0.00 N ATOM 544 CA VAL A 36 -5.315 5.219 2.601 1.00 0.00 C ATOM 545 C VAL A 36 -6.531 6.071 2.946 1.00 0.00 C ATOM 546 O VAL A 36 -7.034 6.802 2.100 1.00 0.00 O ATOM 547 CB VAL A 36 -4.036 6.022 2.964 1.00 0.00 C ATOM 548 CG1 VAL A 36 -4.137 6.655 4.344 1.00 0.00 C ATOM 549 CG2 VAL A 36 -2.803 5.151 2.914 1.00 0.00 C ATOM 0 H VAL A 36 -4.617 5.257 0.606 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.329 4.295 3.179 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.950 6.812 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.222 7.207 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.987 7.337 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.274 5.875 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.927 5.745 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.908 4.331 3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.683 4.748 1.909 1.00 0.00 H new ATOM 559 N ALA A 37 -7.002 5.976 4.184 1.00 0.00 N ATOM 560 CA ALA A 37 -8.055 6.867 4.654 1.00 0.00 C ATOM 561 C ALA A 37 -7.784 7.333 6.084 1.00 0.00 C ATOM 562 O ALA A 37 -8.632 7.175 6.965 1.00 0.00 O ATOM 563 CB ALA A 37 -9.407 6.179 4.561 1.00 0.00 C ATOM 0 H ALA A 37 -6.676 5.299 4.873 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.067 7.749 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.185 6.856 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.607 5.908 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.401 5.280 5.177 1.00 0.00 H new ATOM 569 N ASP A 38 -6.618 7.957 6.283 1.00 0.00 N ATOM 570 CA ASP A 38 -6.166 8.398 7.610 1.00 0.00 C ATOM 571 C ASP A 38 -4.691 8.774 7.548 1.00 0.00 C ATOM 572 O ASP A 38 -4.176 9.153 6.496 1.00 0.00 O ATOM 573 CB ASP A 38 -6.324 7.281 8.658 1.00 0.00 C ATOM 574 CG ASP A 38 -5.322 6.162 8.446 1.00 0.00 C ATOM 575 OD1 ASP A 38 -5.271 5.620 7.331 1.00 0.00 O ATOM 576 OD2 ASP A 38 -4.537 5.866 9.376 1.00 0.00 O ATOM 0 H ASP A 38 -5.962 8.171 5.532 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.778 9.252 7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.196 7.699 9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.335 6.877 8.609 1.00 0.00 H new ATOM 581 N GLU A 39 -4.040 8.671 8.700 1.00 0.00 N ATOM 582 CA GLU A 39 -2.595 8.769 8.814 1.00 0.00 C ATOM 583 C GLU A 39 -1.885 7.864 7.810 1.00 0.00 C ATOM 584 O GLU A 39 -1.013 8.315 7.077 1.00 0.00 O ATOM 585 CB GLU A 39 -2.181 8.370 10.227 1.00 0.00 C ATOM 586 CG GLU A 39 -2.531 9.403 11.271 1.00 0.00 C ATOM 587 CD GLU A 39 -1.649 10.627 11.154 1.00 0.00 C ATOM 588 OE1 GLU A 39 -0.409 10.454 11.108 1.00 0.00 O ATOM 589 OE2 GLU A 39 -2.187 11.746 11.080 1.00 0.00 O ATOM 0 H GLU A 39 -4.510 8.515 9.592 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.307 9.798 8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.662 7.426 10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.105 8.195 10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.576 9.694 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.423 8.969 12.265 1.00 0.00 H new ATOM 596 N GLY A 40 -2.238 6.586 7.786 1.00 0.00 N ATOM 597 CA GLY A 40 -1.555 5.696 6.872 1.00 0.00 C ATOM 598 C GLY A 40 -2.049 4.261 6.923 1.00 0.00 C ATOM 599 O GLY A 40 -1.274 3.346 7.211 1.00 0.00 O ATOM 0 H GLY A 40 -2.962 6.160 8.364 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.673 6.074 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.488 5.710 7.096 1.00 0.00 H new ATOM 603 N LEU A 41 -3.332 4.059 6.679 1.00 0.00 N ATOM 604 CA LEU A 41 -3.829 2.717 6.475 1.00 0.00 C ATOM 605 C LEU A 41 -4.709 2.662 5.237 1.00 0.00 C ATOM 606 O LEU A 41 -5.579 3.512 5.023 1.00 0.00 O ATOM 607 CB LEU A 41 -4.574 2.197 7.718 1.00 0.00 C ATOM 608 CG LEU A 41 -5.861 2.921 8.141 1.00 0.00 C ATOM 609 CD1 LEU A 41 -7.077 2.389 7.395 1.00 0.00 C ATOM 610 CD2 LEU A 41 -6.065 2.791 9.643 1.00 0.00 C ATOM 0 H LEU A 41 -4.035 4.795 6.619 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.975 2.059 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.821 1.149 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.882 2.227 8.559 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.751 3.974 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.968 2.926 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.939 2.534 6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.197 1.326 7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.980 3.308 9.932 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.144 1.737 9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.217 3.235 10.165 1.00 0.00 H new ATOM 622 N ALA A 42 -4.440 1.679 4.404 1.00 0.00 N ATOM 623 CA ALA A 42 -5.285 1.412 3.262 1.00 0.00 C ATOM 624 C ALA A 42 -5.751 -0.026 3.325 1.00 0.00 C ATOM 625 O ALA A 42 -4.943 -0.954 3.281 1.00 0.00 O ATOM 626 CB ALA A 42 -4.560 1.689 1.945 1.00 0.00 C ATOM 0 H ALA A 42 -3.641 1.051 4.497 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.145 2.081 3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.228 1.476 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.257 2.735 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.678 1.053 1.875 1.00 0.00 H new ATOM 632 N TRP A 43 -7.043 -0.207 3.492 1.00 0.00 N ATOM 633 CA TRP A 43 -7.622 -1.529 3.468 1.00 0.00 C ATOM 634 C TRP A 43 -7.636 -2.049 2.050 1.00 0.00 C ATOM 635 O TRP A 43 -8.604 -1.838 1.316 1.00 0.00 O ATOM 636 CB TRP A 43 -9.015 -1.476 4.011 1.00 0.00 C ATOM 637 CG TRP A 43 -8.902 -1.473 5.464 1.00 0.00 C ATOM 638 CD1 TRP A 43 -8.693 -0.404 6.277 1.00 0.00 C ATOM 639 CD2 TRP A 43 -8.861 -2.630 6.270 1.00 0.00 C ATOM 640 NE1 TRP A 43 -8.503 -0.837 7.553 1.00 0.00 N ATOM 641 CE2 TRP A 43 -8.619 -2.205 7.568 1.00 0.00 C ATOM 642 CE3 TRP A 43 -9.015 -3.996 6.012 1.00 0.00 C ATOM 643 CZ2 TRP A 43 -8.505 -3.083 8.604 1.00 0.00 C ATOM 644 CZ3 TRP A 43 -8.912 -4.881 7.062 1.00 0.00 C ATOM 645 CH2 TRP A 43 -8.653 -4.418 8.353 1.00 0.00 C ATOM 0 H TRP A 43 -7.712 0.547 3.646 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.026 -2.200 4.086 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.532 -0.582 3.662 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.595 -2.333 3.670 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.680 0.628 5.960 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.308 -0.246 8.361 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.211 -4.349 5.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.302 -2.730 9.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.032 -5.940 6.885 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.568 -5.125 9.165 1.00 0.00 H new ATOM 656 N LEU A 44 -6.567 -2.700 1.651 1.00 0.00 N ATOM 657 CA LEU A 44 -6.483 -3.107 0.268 1.00 0.00 C ATOM 658 C LEU A 44 -7.319 -4.355 0.082 1.00 0.00 C ATOM 659 O LEU A 44 -7.888 -4.881 1.032 1.00 0.00 O ATOM 660 CB LEU A 44 -5.037 -3.397 -0.159 1.00 0.00 C ATOM 661 CG LEU A 44 -3.943 -2.493 0.411 1.00 0.00 C ATOM 662 CD1 LEU A 44 -2.603 -2.826 -0.227 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.272 -1.038 0.199 1.00 0.00 C ATOM 0 H LEU A 44 -5.772 -2.951 2.238 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.853 -2.291 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.803 -4.425 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.989 -3.341 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.882 -2.672 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.832 -2.176 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.350 -3.866 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.666 -2.675 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.476 -0.421 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.366 -0.838 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.212 -0.801 0.697 1.00 0.00 H new ATOM 675 N SER A 45 -7.392 -4.845 -1.120 1.00 0.00 N ATOM 676 CA SER A 45 -8.041 -6.102 -1.311 1.00 0.00 C ATOM 677 C SER A 45 -7.375 -6.842 -2.442 1.00 0.00 C ATOM 678 O SER A 45 -7.761 -6.715 -3.602 1.00 0.00 O ATOM 679 CB SER A 45 -9.525 -5.915 -1.555 1.00 0.00 C ATOM 680 OG SER A 45 -9.784 -5.073 -2.665 1.00 0.00 O ATOM 0 H SER A 45 -7.020 -4.405 -1.962 1.00 0.00 H new ATOM 0 HA SER A 45 -7.945 -6.700 -0.405 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.989 -6.887 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.987 -5.491 -0.664 1.00 0.00 H new ATOM 0 HG SER A 45 -9.189 -5.315 -3.405 1.00 0.00 H new ATOM 686 N GLY A 46 -6.357 -7.608 -2.099 1.00 0.00 N ATOM 687 CA GLY A 46 -5.592 -8.265 -3.137 1.00 0.00 C ATOM 688 C GLY A 46 -4.229 -7.642 -3.324 1.00 0.00 C ATOM 689 O GLY A 46 -4.083 -6.675 -4.057 1.00 0.00 O ATOM 0 H GLY A 46 -6.049 -7.786 -1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.476 -9.320 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.143 -8.218 -4.076 1.00 0.00 H new ATOM 693 N VAL A 47 -3.235 -8.180 -2.639 1.00 0.00 N ATOM 694 CA VAL A 47 -1.873 -7.698 -2.783 1.00 0.00 C ATOM 695 C VAL A 47 -0.964 -8.825 -3.265 1.00 0.00 C ATOM 696 O VAL A 47 -1.092 -9.970 -2.822 1.00 0.00 O ATOM 697 CB VAL A 47 -1.334 -7.109 -1.454 1.00 0.00 C ATOM 698 CG1 VAL A 47 -1.310 -8.159 -0.351 1.00 0.00 C ATOM 699 CG2 VAL A 47 0.050 -6.504 -1.649 1.00 0.00 C ATOM 0 H VAL A 47 -3.345 -8.950 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.879 -6.899 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.015 -6.316 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.927 -7.714 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.320 -8.530 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.665 -8.986 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.406 -6.098 -0.702 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.739 -7.275 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.003 -5.706 -2.390 1.00 0.00 H new ATOM 709 N THR A 48 -0.084 -8.514 -4.201 1.00 0.00 N ATOM 710 CA THR A 48 0.895 -9.487 -4.643 1.00 0.00 C ATOM 711 C THR A 48 2.236 -9.187 -3.984 1.00 0.00 C ATOM 712 O THR A 48 2.693 -8.051 -3.982 1.00 0.00 O ATOM 713 CB THR A 48 1.044 -9.479 -6.175 1.00 0.00 C ATOM 714 OG1 THR A 48 -0.252 -9.622 -6.779 1.00 0.00 O ATOM 715 CG2 THR A 48 1.953 -10.602 -6.655 1.00 0.00 C ATOM 0 H THR A 48 -0.028 -7.607 -4.664 1.00 0.00 H new ATOM 0 HA THR A 48 0.553 -10.479 -4.350 1.00 0.00 H new ATOM 0 HB THR A 48 1.496 -8.531 -6.467 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.187 -10.215 -7.557 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.035 -10.565 -7.741 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.942 -10.484 -6.213 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.534 -11.563 -6.355 1.00 0.00 H new ATOM 723 N PRO A 49 2.851 -10.200 -3.378 1.00 0.00 N ATOM 724 CA PRO A 49 4.120 -10.048 -2.666 1.00 0.00 C ATOM 725 C PRO A 49 5.309 -9.858 -3.605 1.00 0.00 C ATOM 726 O PRO A 49 5.436 -10.571 -4.601 1.00 0.00 O ATOM 727 CB PRO A 49 4.247 -11.372 -1.912 1.00 0.00 C ATOM 728 CG PRO A 49 3.483 -12.355 -2.728 1.00 0.00 C ATOM 729 CD PRO A 49 2.352 -11.582 -3.346 1.00 0.00 C ATOM 0 HA PRO A 49 4.126 -9.163 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.291 -11.670 -1.810 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.839 -11.293 -0.905 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.116 -12.803 -3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.108 -13.170 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.117 -11.946 -4.346 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.440 -11.665 -2.755 1.00 0.00 H new ATOM 737 N GLY A 50 6.183 -8.907 -3.286 1.00 0.00 N ATOM 738 CA GLY A 50 7.393 -8.755 -4.075 1.00 0.00 C ATOM 739 C GLY A 50 7.281 -7.680 -5.138 1.00 0.00 C ATOM 740 O GLY A 50 7.843 -7.822 -6.222 1.00 0.00 O ATOM 0 H GLY A 50 6.079 -8.251 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.224 -8.516 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.630 -9.706 -4.552 1.00 0.00 H new ATOM 744 N GLU A 51 6.569 -6.597 -4.838 1.00 0.00 N ATOM 745 CA GLU A 51 6.374 -5.568 -5.859 1.00 0.00 C ATOM 746 C GLU A 51 6.888 -4.229 -5.410 1.00 0.00 C ATOM 747 O GLU A 51 7.348 -4.061 -4.278 1.00 0.00 O ATOM 748 CB GLU A 51 4.903 -5.360 -6.219 1.00 0.00 C ATOM 749 CG GLU A 51 4.188 -6.594 -6.694 1.00 0.00 C ATOM 750 CD GLU A 51 2.834 -6.271 -7.302 1.00 0.00 C ATOM 751 OE1 GLU A 51 2.787 -5.838 -8.475 1.00 0.00 O ATOM 752 OE2 GLU A 51 1.807 -6.432 -6.612 1.00 0.00 O ATOM 0 H GLU A 51 6.133 -6.411 -3.935 1.00 0.00 H new ATOM 0 HA GLU A 51 6.927 -5.935 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.382 -4.969 -5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.838 -4.598 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.803 -7.107 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.055 -7.280 -5.858 1.00 0.00 H new ATOM 759 N THR A 52 6.781 -3.273 -6.312 1.00 0.00 N ATOM 760 CA THR A 52 6.942 -1.899 -5.948 1.00 0.00 C ATOM 761 C THR A 52 5.702 -1.094 -6.323 1.00 0.00 C ATOM 762 O THR A 52 5.559 -0.622 -7.451 1.00 0.00 O ATOM 763 CB THR A 52 8.212 -1.260 -6.553 1.00 0.00 C ATOM 764 OG1 THR A 52 8.395 -1.675 -7.918 1.00 0.00 O ATOM 765 CG2 THR A 52 9.444 -1.628 -5.740 1.00 0.00 C ATOM 0 H THR A 52 6.583 -3.433 -7.300 1.00 0.00 H new ATOM 0 HA THR A 52 7.068 -1.876 -4.866 1.00 0.00 H new ATOM 0 HB THR A 52 8.080 -0.178 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.654 -1.339 -8.464 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.325 -1.166 -6.186 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.325 -1.270 -4.717 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.566 -2.711 -5.734 1.00 0.00 H new ATOM 773 N LEU A 53 4.784 -1.016 -5.369 1.00 0.00 N ATOM 774 CA LEU A 53 3.613 -0.158 -5.459 1.00 0.00 C ATOM 775 C LEU A 53 3.993 1.262 -5.808 1.00 0.00 C ATOM 776 O LEU A 53 5.088 1.713 -5.497 1.00 0.00 O ATOM 777 CB LEU A 53 2.904 -0.118 -4.108 1.00 0.00 C ATOM 778 CG LEU A 53 1.948 -1.260 -3.823 1.00 0.00 C ATOM 779 CD1 LEU A 53 1.519 -1.255 -2.365 1.00 0.00 C ATOM 780 CD2 LEU A 53 0.739 -1.127 -4.720 1.00 0.00 C ATOM 0 H LEU A 53 4.833 -1.552 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 53 2.969 -0.567 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.661 -0.100 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.351 0.818 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 53 2.454 -2.205 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.834 -2.083 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.396 -1.364 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.019 -0.314 -2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.047 -1.945 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.243 -0.176 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.054 -1.164 -5.763 1.00 0.00 H new ATOM 792 N SER A 54 3.078 1.956 -6.438 1.00 0.00 N ATOM 793 CA SER A 54 3.181 3.383 -6.560 1.00 0.00 C ATOM 794 C SER A 54 1.972 4.022 -5.923 1.00 0.00 C ATOM 795 O SER A 54 0.838 3.675 -6.224 1.00 0.00 O ATOM 796 CB SER A 54 3.379 3.811 -8.019 1.00 0.00 C ATOM 797 OG SER A 54 2.417 3.215 -8.871 1.00 0.00 O ATOM 0 H SER A 54 2.251 1.550 -6.875 1.00 0.00 H new ATOM 0 HA SER A 54 4.068 3.730 -6.030 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.309 4.896 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.380 3.532 -8.348 1.00 0.00 H new ATOM 0 HG SER A 54 1.904 2.547 -8.369 1.00 0.00 H new ATOM 803 N VAL A 55 2.221 4.922 -4.993 1.00 0.00 N ATOM 804 CA VAL A 55 1.169 5.403 -4.138 1.00 0.00 C ATOM 805 C VAL A 55 0.863 6.872 -4.410 1.00 0.00 C ATOM 806 O VAL A 55 1.667 7.771 -4.104 1.00 0.00 O ATOM 807 CB VAL A 55 1.547 5.180 -2.665 1.00 0.00 C ATOM 808 CG1 VAL A 55 0.382 5.476 -1.744 1.00 0.00 C ATOM 809 CG2 VAL A 55 2.067 3.761 -2.464 1.00 0.00 C ATOM 0 H VAL A 55 3.139 5.330 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 55 0.262 4.838 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 55 2.344 5.878 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.684 5.308 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.075 6.514 -1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.452 4.819 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.331 3.615 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.293 3.047 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.949 3.605 -3.086 1.00 0.00 H new ATOM 819 N ASN A 56 -0.290 7.099 -5.032 1.00 0.00 N ATOM 820 CA ASN A 56 -0.740 8.452 -5.320 1.00 0.00 C ATOM 821 C ASN A 56 -1.269 9.088 -4.061 1.00 0.00 C ATOM 822 O ASN A 56 -1.960 8.457 -3.278 1.00 0.00 O ATOM 823 CB ASN A 56 -1.819 8.482 -6.411 1.00 0.00 C ATOM 824 CG ASN A 56 -1.296 8.172 -7.795 1.00 0.00 C ATOM 825 OD1 ASN A 56 -0.866 9.064 -8.524 1.00 0.00 O ATOM 826 ND2 ASN A 56 -1.343 6.907 -8.177 1.00 0.00 N ATOM 0 H ASN A 56 -0.926 6.365 -5.344 1.00 0.00 H new ATOM 0 HA ASN A 56 0.117 9.014 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.598 7.763 -6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.285 9.467 -6.421 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.015 6.642 -9.106 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.707 6.196 -7.543 1.00 0.00 H new ATOM 833 N TRP A 57 -0.953 10.342 -3.893 1.00 0.00 N ATOM 834 CA TRP A 57 -1.140 10.993 -2.628 1.00 0.00 C ATOM 835 C TRP A 57 -1.555 12.459 -2.833 1.00 0.00 C ATOM 836 O TRP A 57 -1.258 13.045 -3.862 1.00 0.00 O ATOM 837 CB TRP A 57 0.181 10.792 -1.841 1.00 0.00 C ATOM 838 CG TRP A 57 0.382 11.620 -0.611 1.00 0.00 C ATOM 839 CD1 TRP A 57 -0.459 12.535 -0.087 1.00 0.00 C ATOM 840 CD2 TRP A 57 1.515 11.603 0.257 1.00 0.00 C ATOM 841 NE1 TRP A 57 0.084 13.139 0.985 1.00 0.00 N ATOM 842 CE2 TRP A 57 1.283 12.578 1.227 1.00 0.00 C ATOM 843 CE3 TRP A 57 2.709 10.883 0.312 1.00 0.00 C ATOM 844 CZ2 TRP A 57 2.161 12.864 2.209 1.00 0.00 C ATOM 845 CZ3 TRP A 57 3.596 11.173 1.330 1.00 0.00 C ATOM 846 CH2 TRP A 57 3.319 12.161 2.264 1.00 0.00 C ATOM 0 H TRP A 57 -0.562 10.937 -4.623 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.957 10.568 -2.046 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.246 9.742 -1.555 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.011 10.990 -2.520 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.442 12.754 -0.478 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.341 13.894 1.523 1.00 0.00 H new ATOM 0 HE3 TRP A 57 2.933 10.121 -0.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 1.947 13.635 2.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.522 10.621 1.400 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.035 12.373 3.045 1.00 0.00 H new ATOM 857 N ASP A 58 -2.338 12.977 -1.878 1.00 0.00 N ATOM 858 CA ASP A 58 -2.620 14.415 -1.710 1.00 0.00 C ATOM 859 C ASP A 58 -1.602 15.312 -2.402 1.00 0.00 C ATOM 860 O ASP A 58 -1.958 16.041 -3.327 1.00 0.00 O ATOM 861 CB ASP A 58 -2.613 14.768 -0.222 1.00 0.00 C ATOM 862 CG ASP A 58 -3.699 14.063 0.563 1.00 0.00 C ATOM 863 OD1 ASP A 58 -3.527 12.856 0.851 1.00 0.00 O ATOM 864 OD2 ASP A 58 -4.708 14.710 0.895 1.00 0.00 O ATOM 0 H ASP A 58 -2.806 12.397 -1.182 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.594 14.590 -2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.642 14.511 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.734 15.845 -0.110 1.00 0.00 H new ATOM 869 N GLY A 59 -0.333 15.283 -1.953 1.00 0.00 N ATOM 870 CA GLY A 59 0.644 16.149 -2.616 1.00 0.00 C ATOM 871 C GLY A 59 0.864 15.816 -4.099 1.00 0.00 C ATOM 872 O GLY A 59 1.055 16.718 -4.913 1.00 0.00 O ATOM 0 H GLY A 59 0.019 14.709 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.314 17.184 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.597 16.074 -2.092 1.00 0.00 H new ATOM 876 N LYS A 60 0.829 14.520 -4.434 1.00 0.00 N ATOM 877 CA LYS A 60 1.178 14.006 -5.759 1.00 0.00 C ATOM 878 C LYS A 60 1.306 12.492 -5.642 1.00 0.00 C ATOM 879 O LYS A 60 1.014 11.950 -4.599 1.00 0.00 O ATOM 880 CB LYS A 60 2.523 14.558 -6.162 1.00 0.00 C ATOM 881 CG LYS A 60 3.608 13.953 -5.317 1.00 0.00 C ATOM 882 CD LYS A 60 4.826 14.856 -5.224 1.00 0.00 C ATOM 883 CE LYS A 60 6.030 14.108 -4.677 1.00 0.00 C ATOM 884 NZ LYS A 60 6.413 12.960 -5.548 1.00 0.00 N ATOM 0 H LYS A 60 0.552 13.789 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 60 0.423 14.289 -6.492 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.711 14.345 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.527 15.642 -6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.223 13.760 -4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.901 12.991 -5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.061 15.255 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.602 15.707 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.873 14.793 -4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.807 13.744 -3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.059 12.331 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.560 12.432 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.888 13.316 -6.402 1.00 0.00 H new ATOM 898 N ILE A 61 1.815 11.812 -6.655 1.00 0.00 N ATOM 899 CA ILE A 61 2.170 10.435 -6.393 1.00 0.00 C ATOM 900 C ILE A 61 3.528 10.506 -5.743 1.00 0.00 C ATOM 901 O ILE A 61 4.470 11.090 -6.290 1.00 0.00 O ATOM 902 CB ILE A 61 2.184 9.524 -7.658 1.00 0.00 C ATOM 903 CG1 ILE A 61 2.018 8.049 -7.259 1.00 0.00 C ATOM 904 CG2 ILE A 61 3.472 9.680 -8.454 1.00 0.00 C ATOM 905 CD1 ILE A 61 2.049 7.093 -8.433 1.00 0.00 C ATOM 0 H ILE A 61 1.982 12.160 -7.599 1.00 0.00 H new ATOM 0 HA ILE A 61 1.419 9.966 -5.758 1.00 0.00 H new ATOM 0 HB ILE A 61 1.349 9.836 -8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.811 7.779 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.073 7.929 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.441 9.028 -9.327 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.576 10.716 -8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.322 9.408 -7.828 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.926 6.071 -8.074 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.239 7.336 -9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.004 7.183 -8.950 1.00 0.00 H new ATOM 917 N GLN A 62 3.628 10.046 -4.529 1.00 0.00 N ATOM 918 CA GLN A 62 4.831 10.401 -3.829 1.00 0.00 C ATOM 919 C GLN A 62 5.566 9.202 -3.305 1.00 0.00 C ATOM 920 O GLN A 62 6.693 8.935 -3.715 1.00 0.00 O ATOM 921 CB GLN A 62 4.551 11.389 -2.710 1.00 0.00 C ATOM 922 CG GLN A 62 3.233 12.118 -2.783 1.00 0.00 C ATOM 923 CD GLN A 62 3.286 13.447 -2.049 1.00 0.00 C ATOM 924 OE1 GLN A 62 4.339 14.075 -1.956 1.00 0.00 O ATOM 925 NE2 GLN A 62 2.155 13.889 -1.538 1.00 0.00 N ATOM 0 H GLN A 62 2.950 9.468 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 62 5.480 10.884 -4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.595 10.854 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.352 12.128 -2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.969 12.289 -3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.448 11.496 -2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.302 13.339 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.133 14.781 -1.044 1.00 0.00 H new ATOM 934 N CYS A 63 4.945 8.477 -2.412 1.00 0.00 N ATOM 935 CA CYS A 63 5.643 7.340 -1.887 1.00 0.00 C ATOM 936 C CYS A 63 5.270 6.140 -2.713 1.00 0.00 C ATOM 937 O CYS A 63 4.192 6.092 -3.299 1.00 0.00 O ATOM 938 CB CYS A 63 5.337 7.119 -0.403 1.00 0.00 C ATOM 939 SG CYS A 63 3.620 6.636 -0.027 1.00 0.00 S ATOM 0 H CYS A 63 4.006 8.642 -2.049 1.00 0.00 H new ATOM 0 HA CYS A 63 6.718 7.512 -1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.006 6.348 -0.022 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.566 8.036 0.139 1.00 0.00 H new ATOM 944 N GLN A 64 6.180 5.214 -2.832 1.00 0.00 N ATOM 945 CA GLN A 64 5.906 4.017 -3.572 1.00 0.00 C ATOM 946 C GLN A 64 6.225 2.856 -2.702 1.00 0.00 C ATOM 947 O GLN A 64 7.263 2.844 -2.047 1.00 0.00 O ATOM 948 CB GLN A 64 6.712 3.994 -4.844 1.00 0.00 C ATOM 949 CG GLN A 64 6.345 5.158 -5.707 1.00 0.00 C ATOM 950 CD GLN A 64 7.105 5.202 -7.017 1.00 0.00 C ATOM 951 OE1 GLN A 64 8.336 4.713 -7.006 1.00 0.00 O flip ATOM 952 NE2 GLN A 64 6.596 5.681 -8.028 1.00 0.00 N flip ATOM 0 H GLN A 64 7.115 5.266 -2.427 1.00 0.00 H new ATOM 0 HA GLN A 64 4.855 3.975 -3.859 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.776 4.026 -4.610 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.532 3.063 -5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.276 5.122 -5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.531 6.081 -5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.645 6.048 -7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.125 5.712 -8.900 1.00 0.00 H new ATOM 961 N VAL A 65 5.350 1.894 -2.655 1.00 0.00 N ATOM 962 CA VAL A 65 5.506 0.975 -1.579 1.00 0.00 C ATOM 963 C VAL A 65 6.294 -0.251 -1.961 1.00 0.00 C ATOM 964 O VAL A 65 6.145 -0.781 -3.051 1.00 0.00 O ATOM 965 CB VAL A 65 4.162 0.575 -0.942 1.00 0.00 C ATOM 966 CG1 VAL A 65 4.248 -0.753 -0.201 1.00 0.00 C ATOM 967 CG2 VAL A 65 3.741 1.650 0.009 1.00 0.00 C ATOM 0 H VAL A 65 4.576 1.734 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 65 6.084 1.514 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 65 3.431 0.455 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.276 -0.992 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.540 -1.540 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.990 -0.679 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.790 1.379 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.498 1.766 0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.628 2.590 -0.531 1.00 0.00 H new ATOM 977 N ASN A 66 7.136 -0.706 -1.058 1.00 0.00 N ATOM 978 CA ASN A 66 7.823 -1.948 -1.314 1.00 0.00 C ATOM 979 C ASN A 66 7.080 -3.106 -0.661 1.00 0.00 C ATOM 980 O ASN A 66 6.979 -3.171 0.563 1.00 0.00 O ATOM 981 CB ASN A 66 9.274 -1.889 -0.824 1.00 0.00 C ATOM 982 CG ASN A 66 10.023 -3.189 -1.060 1.00 0.00 C ATOM 983 OD1 ASN A 66 10.043 -4.074 -0.207 1.00 0.00 O ATOM 984 ND2 ASN A 66 10.650 -3.314 -2.219 1.00 0.00 N ATOM 0 H ASN A 66 7.355 -0.252 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 66 7.843 -2.110 -2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.793 -1.077 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.285 -1.656 0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.171 -4.166 -2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.612 -2.559 -2.904 1.00 0.00 H new ATOM 991 N VAL A 67 6.530 -4.000 -1.480 1.00 0.00 N ATOM 992 CA VAL A 67 5.833 -5.148 -0.923 1.00 0.00 C ATOM 993 C VAL A 67 6.700 -6.390 -0.991 1.00 0.00 C ATOM 994 O VAL A 67 7.229 -6.726 -2.037 1.00 0.00 O ATOM 995 CB VAL A 67 4.429 -5.365 -1.549 1.00 0.00 C ATOM 996 CG1 VAL A 67 4.499 -5.846 -2.970 1.00 0.00 C ATOM 997 CG2 VAL A 67 3.596 -6.313 -0.698 1.00 0.00 C ATOM 0 H VAL A 67 6.553 -3.953 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 67 5.647 -4.934 0.129 1.00 0.00 H new ATOM 0 HB VAL A 67 3.940 -4.391 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.490 -5.981 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.026 -5.110 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.032 -6.796 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.617 -6.449 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.101 -7.277 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.473 -5.893 0.300 1.00 0.00 H new ATOM 1007 N PRO A 68 6.916 -7.026 0.172 1.00 0.00 N ATOM 1008 CA PRO A 68 7.735 -8.226 0.302 1.00 0.00 C ATOM 1009 C PRO A 68 6.941 -9.512 0.097 1.00 0.00 C ATOM 1010 O PRO A 68 5.712 -9.488 0.000 1.00 0.00 O ATOM 1011 CB PRO A 68 8.235 -8.128 1.739 1.00 0.00 C ATOM 1012 CG PRO A 68 7.123 -7.463 2.480 1.00 0.00 C ATOM 1013 CD PRO A 68 6.390 -6.596 1.484 1.00 0.00 C ATOM 0 HA PRO A 68 8.523 -8.272 -0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.452 -9.113 2.151 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.155 -7.547 1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.452 -8.203 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.512 -6.863 3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.312 -6.741 1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.580 -5.538 1.662 1.00 0.00 H new ATOM 1021 N GLU A 69 7.660 -10.623 0.035 1.00 0.00 N ATOM 1022 CA GLU A 69 7.055 -11.930 -0.211 1.00 0.00 C ATOM 1023 C GLU A 69 6.200 -12.389 0.974 1.00 0.00 C ATOM 1024 O GLU A 69 5.258 -13.167 0.808 1.00 0.00 O ATOM 1025 CB GLU A 69 8.145 -12.974 -0.507 1.00 0.00 C ATOM 1026 CG GLU A 69 9.028 -13.337 0.689 1.00 0.00 C ATOM 1027 CD GLU A 69 9.777 -12.148 1.260 1.00 0.00 C ATOM 1028 OE1 GLU A 69 9.205 -11.447 2.125 1.00 0.00 O ATOM 1029 OE2 GLU A 69 10.915 -11.898 0.829 1.00 0.00 O ATOM 0 H GLU A 69 8.673 -10.648 0.153 1.00 0.00 H new ATOM 0 HA GLU A 69 6.402 -11.833 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.668 -13.882 -0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.780 -12.598 -1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.408 -13.777 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.746 -14.099 0.385 1.00 0.00 H new ATOM 1036 N THR A 70 6.517 -11.883 2.160 1.00 0.00 N ATOM 1037 CA THR A 70 5.807 -12.280 3.373 1.00 0.00 C ATOM 1038 C THR A 70 4.427 -11.603 3.476 1.00 0.00 C ATOM 1039 O THR A 70 3.898 -11.397 4.571 1.00 0.00 O ATOM 1040 CB THR A 70 6.659 -11.952 4.626 1.00 0.00 C ATOM 1041 OG1 THR A 70 6.002 -12.401 5.818 1.00 0.00 O ATOM 1042 CG2 THR A 70 6.937 -10.459 4.727 1.00 0.00 C ATOM 0 H THR A 70 7.259 -11.199 2.309 1.00 0.00 H new ATOM 0 HA THR A 70 5.644 -13.356 3.321 1.00 0.00 H new ATOM 0 HB THR A 70 7.609 -12.477 4.523 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.063 -12.120 5.800 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.536 -10.260 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.480 -10.129 3.841 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.994 -9.917 4.797 1.00 0.00 H new ATOM 1050 N ALA A 71 3.834 -11.292 2.330 1.00 0.00 N ATOM 1051 CA ALA A 71 2.516 -10.669 2.309 1.00 0.00 C ATOM 1052 C ALA A 71 1.447 -11.646 2.769 1.00 0.00 C ATOM 1053 O ALA A 71 1.414 -12.806 2.351 1.00 0.00 O ATOM 1054 CB ALA A 71 2.197 -10.138 0.919 1.00 0.00 C ATOM 0 H ALA A 71 4.241 -11.459 1.410 1.00 0.00 H new ATOM 0 HA ALA A 71 2.527 -9.829 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.209 -9.677 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.943 -9.396 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.210 -10.960 0.204 1.00 0.00 H new ATOM 1060 N ILE A 72 0.567 -11.158 3.620 1.00 0.00 N ATOM 1061 CA ILE A 72 -0.430 -11.990 4.252 1.00 0.00 C ATOM 1062 C ILE A 72 -1.760 -11.929 3.493 1.00 0.00 C ATOM 1063 O ILE A 72 -2.018 -10.977 2.758 1.00 0.00 O ATOM 1064 CB ILE A 72 -0.615 -11.548 5.715 1.00 0.00 C ATOM 1065 CG1 ILE A 72 -1.330 -12.628 6.529 1.00 0.00 C ATOM 1066 CG2 ILE A 72 -1.376 -10.234 5.782 1.00 0.00 C ATOM 1067 CD1 ILE A 72 -0.552 -13.923 6.640 1.00 0.00 C ATOM 0 H ILE A 72 0.525 -10.175 3.891 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.089 -13.025 4.232 1.00 0.00 H new ATOM 0 HB ILE A 72 0.373 -11.398 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.526 -12.245 7.531 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.298 -12.834 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.498 -9.937 6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.820 -9.464 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.357 -10.358 5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.122 -14.640 7.231 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.379 -14.330 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.405 -13.732 7.125 1.00 0.00 H new ATOM 1079 N SER A 73 -2.592 -12.948 3.674 1.00 0.00 N ATOM 1080 CA SER A 73 -3.846 -13.048 2.932 1.00 0.00 C ATOM 1081 C SER A 73 -5.032 -12.758 3.848 1.00 0.00 C ATOM 1082 O SER A 73 -5.110 -13.338 4.933 1.00 0.00 O ATOM 1083 CB SER A 73 -3.976 -14.460 2.356 1.00 0.00 C ATOM 1084 OG SER A 73 -2.736 -14.911 1.814 1.00 0.00 O ATOM 0 H SER A 73 -2.423 -13.715 4.325 1.00 0.00 H new ATOM 0 HA SER A 73 -3.842 -12.316 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.306 -15.145 3.137 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.741 -14.470 1.579 1.00 0.00 H new ATOM 0 HG SER A 73 -2.846 -15.816 1.454 1.00 0.00 H new ATOM 1090 N ASP A 74 -5.944 -11.860 3.425 1.00 0.00 N ATOM 1091 CA ASP A 74 -7.133 -11.546 4.229 1.00 0.00 C ATOM 1092 C ASP A 74 -6.768 -11.077 5.643 1.00 0.00 C ATOM 1093 O ASP A 74 -7.543 -11.256 6.584 1.00 0.00 O ATOM 1094 CB ASP A 74 -8.076 -12.755 4.274 1.00 0.00 C ATOM 1095 CG ASP A 74 -8.537 -13.181 2.888 1.00 0.00 C ATOM 1096 OD1 ASP A 74 -8.372 -12.386 1.927 1.00 0.00 O ATOM 1097 OD2 ASP A 74 -9.053 -14.314 2.752 1.00 0.00 O ATOM 0 H ASP A 74 -5.879 -11.349 2.545 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.649 -10.716 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.570 -13.590 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.946 -12.512 4.885 1.00 0.00 H new ATOM 1102 N GLN A 75 -5.601 -10.436 5.780 1.00 0.00 N ATOM 1103 CA GLN A 75 -5.121 -10.011 7.097 1.00 0.00 C ATOM 1104 C GLN A 75 -4.336 -8.694 7.031 1.00 0.00 C ATOM 1105 O GLN A 75 -4.337 -7.995 6.008 1.00 0.00 O ATOM 1106 CB GLN A 75 -4.241 -11.101 7.723 1.00 0.00 C ATOM 1107 CG GLN A 75 -5.010 -12.330 8.179 1.00 0.00 C ATOM 1108 CD GLN A 75 -5.916 -12.043 9.359 1.00 0.00 C ATOM 1109 OE1 GLN A 75 -5.609 -11.205 10.209 1.00 0.00 O ATOM 1110 NE2 GLN A 75 -7.050 -12.722 9.412 1.00 0.00 N ATOM 0 H GLN A 75 -4.980 -10.203 5.005 1.00 0.00 H new ATOM 0 HA GLN A 75 -6.001 -9.846 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.487 -11.406 6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.711 -10.679 8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -5.608 -12.709 7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.305 -13.116 8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.268 -13.408 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -7.706 -12.560 10.176 1.00 0.00 H new ATOM 1119 N GLN A 76 -3.658 -8.386 8.138 1.00 0.00 N ATOM 1120 CA GLN A 76 -2.938 -7.127 8.309 1.00 0.00 C ATOM 1121 C GLN A 76 -1.468 -7.258 7.900 1.00 0.00 C ATOM 1122 O GLN A 76 -0.823 -8.264 8.187 1.00 0.00 O ATOM 1123 CB GLN A 76 -3.031 -6.695 9.778 1.00 0.00 C ATOM 1124 CG GLN A 76 -2.213 -5.460 10.117 1.00 0.00 C ATOM 1125 CD GLN A 76 -2.270 -5.108 11.590 1.00 0.00 C ATOM 1126 OE1 GLN A 76 -3.136 -4.357 12.029 1.00 0.00 O ATOM 1127 NE2 GLN A 76 -1.343 -5.650 12.366 1.00 0.00 N ATOM 0 H GLN A 76 -3.594 -9.008 8.944 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.395 -6.377 7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.076 -6.504 10.023 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.701 -7.520 10.409 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.175 -5.625 9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.577 -4.616 9.531 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.640 -6.270 11.964 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.333 -5.448 13.366 1.00 0.00 H new ATOM 1136 N LEU A 77 -0.948 -6.223 7.247 1.00 0.00 N ATOM 1137 CA LEU A 77 0.426 -6.196 6.798 1.00 0.00 C ATOM 1138 C LEU A 77 0.876 -4.748 6.699 1.00 0.00 C ATOM 1139 O LEU A 77 0.250 -3.938 6.011 1.00 0.00 O ATOM 1140 CB LEU A 77 0.562 -6.879 5.433 1.00 0.00 C ATOM 1141 CG LEU A 77 1.977 -6.899 4.852 1.00 0.00 C ATOM 1142 CD1 LEU A 77 2.896 -7.771 5.694 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.948 -7.381 3.412 1.00 0.00 C ATOM 0 H LEU A 77 -1.475 -5.381 7.017 1.00 0.00 H new ATOM 0 HA LEU A 77 1.050 -6.735 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.209 -7.906 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.097 -6.375 4.726 1.00 0.00 H new ATOM 0 HG LEU A 77 2.371 -5.883 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.896 -7.770 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.940 -7.379 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.511 -8.791 5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.961 -7.390 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.533 -8.388 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.328 -6.711 2.816 1.00 0.00 H new ATOM 1155 N LEU A 78 1.934 -4.404 7.398 1.00 0.00 N ATOM 1156 CA LEU A 78 2.380 -3.031 7.340 1.00 0.00 C ATOM 1157 C LEU A 78 3.293 -2.842 6.135 1.00 0.00 C ATOM 1158 O LEU A 78 4.141 -3.689 5.856 1.00 0.00 O ATOM 1159 CB LEU A 78 3.094 -2.607 8.636 1.00 0.00 C ATOM 1160 CG LEU A 78 4.427 -3.307 8.936 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.203 -2.533 9.989 1.00 0.00 C ATOM 1162 CD2 LEU A 78 4.204 -4.738 9.410 1.00 0.00 C ATOM 0 H LEU A 78 2.483 -5.027 7.991 1.00 0.00 H new ATOM 0 HA LEU A 78 1.504 -2.391 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.273 -1.533 8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.418 -2.784 9.473 1.00 0.00 H new ATOM 0 HG LEU A 78 5.003 -3.337 8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.146 -3.040 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.404 -1.525 9.625 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.616 -2.477 10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.166 -5.208 9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.603 -4.731 10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.683 -5.301 8.636 1.00 0.00 H new ATOM 1174 N LEU A 79 3.111 -1.745 5.414 1.00 0.00 N ATOM 1175 CA LEU A 79 3.876 -1.530 4.199 1.00 0.00 C ATOM 1176 C LEU A 79 4.662 -0.220 4.246 1.00 0.00 C ATOM 1177 O LEU A 79 4.149 0.836 4.659 1.00 0.00 O ATOM 1178 CB LEU A 79 2.960 -1.565 2.973 1.00 0.00 C ATOM 1179 CG LEU A 79 2.396 -2.947 2.625 1.00 0.00 C ATOM 1180 CD1 LEU A 79 1.536 -2.875 1.373 1.00 0.00 C ATOM 1181 CD2 LEU A 79 3.527 -3.950 2.436 1.00 0.00 C ATOM 0 H LEU A 79 2.451 -1.002 5.645 1.00 0.00 H new ATOM 0 HA LEU A 79 4.599 -2.342 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.128 -0.881 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.514 -1.188 2.113 1.00 0.00 H new ATOM 0 HG LEU A 79 1.770 -3.281 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.145 -3.866 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.707 -2.188 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.139 -2.520 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.110 -4.926 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.176 -3.618 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.105 -4.024 3.357 1.00 0.00 H new ATOM 1193 N PRO A 80 5.934 -0.288 3.833 1.00 0.00 N ATOM 1194 CA PRO A 80 6.820 0.860 3.798 1.00 0.00 C ATOM 1195 C PRO A 80 6.728 1.640 2.489 1.00 0.00 C ATOM 1196 O PRO A 80 6.935 1.095 1.390 1.00 0.00 O ATOM 1197 CB PRO A 80 8.198 0.222 3.951 1.00 0.00 C ATOM 1198 CG PRO A 80 8.076 -1.123 3.311 1.00 0.00 C ATOM 1199 CD PRO A 80 6.617 -1.514 3.380 1.00 0.00 C ATOM 0 HA PRO A 80 6.577 1.593 4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.967 0.822 3.464 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.478 0.135 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.418 -1.090 2.277 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.696 -1.854 3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.246 -1.841 2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.458 -2.338 4.075 1.00 0.00 H new ATOM 1207 N CYS A 81 6.393 2.915 2.620 1.00 0.00 N ATOM 1208 CA CYS A 81 6.403 3.833 1.499 1.00 0.00 C ATOM 1209 C CYS A 81 7.817 4.333 1.247 1.00 0.00 C ATOM 1210 O CYS A 81 8.305 5.235 1.933 1.00 0.00 O ATOM 1211 CB CYS A 81 5.466 5.012 1.759 1.00 0.00 C ATOM 1212 SG CYS A 81 3.831 4.871 0.964 1.00 0.00 S ATOM 0 H CYS A 81 6.108 3.338 3.504 1.00 0.00 H new ATOM 0 HA CYS A 81 6.051 3.302 0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.325 5.117 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.947 5.926 1.410 1.00 0.00 H new ATOM 1217 N THR A 82 8.482 3.709 0.292 1.00 0.00 N ATOM 1218 CA THR A 82 9.814 4.122 -0.105 1.00 0.00 C ATOM 1219 C THR A 82 9.728 5.268 -1.116 1.00 0.00 C ATOM 1220 O THR A 82 8.632 5.615 -1.563 1.00 0.00 O ATOM 1221 CB THR A 82 10.602 2.931 -0.698 1.00 0.00 C ATOM 1222 OG1 THR A 82 9.802 2.218 -1.651 1.00 0.00 O ATOM 1223 CG2 THR A 82 11.047 1.980 0.403 1.00 0.00 C ATOM 0 H THR A 82 8.118 2.909 -0.226 1.00 0.00 H new ATOM 0 HA THR A 82 10.347 4.473 0.778 1.00 0.00 H new ATOM 0 HB THR A 82 11.482 3.331 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.049 2.779 -1.932 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.600 1.149 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.688 2.512 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.172 1.597 0.928 1.00 0.00 H new ATOM 1231 N PRO A 83 10.867 5.897 -1.460 1.00 0.00 N ATOM 1232 CA PRO A 83 10.904 6.979 -2.454 1.00 0.00 C ATOM 1233 C PRO A 83 10.540 6.504 -3.864 1.00 0.00 C ATOM 1234 O PRO A 83 10.123 5.360 -4.066 1.00 0.00 O ATOM 1235 CB PRO A 83 12.362 7.461 -2.415 1.00 0.00 C ATOM 1236 CG PRO A 83 12.930 6.912 -1.152 1.00 0.00 C ATOM 1237 CD PRO A 83 12.198 5.630 -0.899 1.00 0.00 C ATOM 0 HA PRO A 83 10.176 7.756 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.917 7.103 -3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.416 8.550 -2.429 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.002 6.738 -1.248 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.793 7.610 -0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.681 4.785 -1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.149 5.396 0.164 1.00 0.00 H new ATOM 1245 N GLN A 84 10.706 7.390 -4.837 1.00 0.00 N ATOM 1246 CA GLN A 84 10.385 7.052 -6.215 1.00 0.00 C ATOM 1247 C GLN A 84 11.515 6.248 -6.846 1.00 0.00 C ATOM 1248 O GLN A 84 12.562 6.044 -6.229 1.00 0.00 O ATOM 1249 CB GLN A 84 10.132 8.320 -7.034 1.00 0.00 C ATOM 1250 CG GLN A 84 8.954 9.145 -6.542 1.00 0.00 C ATOM 1251 CD GLN A 84 8.770 10.430 -7.331 1.00 0.00 C ATOM 1252 OE1 GLN A 84 8.300 11.439 -6.799 1.00 0.00 O ATOM 1253 NE2 GLN A 84 9.134 10.403 -8.605 1.00 0.00 N ATOM 0 H GLN A 84 11.057 8.338 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 84 9.479 6.446 -6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 84 11.029 8.938 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.959 8.041 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.044 8.548 -6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.099 9.387 -5.489 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.519 9.548 -9.007 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.029 11.237 -9.183 1.00 0.00 H new