USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 GLN : amide:sc= 0.514 K(o=1.7,f=-4.7) USER MOD Set 1.2: A 100 LYS NZ :NH3+ 150:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 63 LYS NZ :NH3+ 172:sc= 1.17 (180deg=1.15) USER MOD Set 2.2: A 67 GLN : amide:sc= -0.361 X(o=0.81,f=1.1) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= -0.001 (180deg=-0.0703) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0861 F(o=-0.9,f=-0.086) USER MOD Single : A 9 THR OG1 : rot 63:sc= 0.477 USER MOD Single : A 15 GLN : amide:sc= 1.07 K(o=1.1,f=-1.4) USER MOD Single : A 18 GLN : amide:sc= -0.0813 K(o=-0.081,f=-0.6) USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= -0.0442 (180deg=-0.256) USER MOD Single : A 31 SER OG : rot 66:sc= 1.15 USER MOD Single : A 34 GLN : amide:sc= -0.396 K(o=-0.4,f=-1) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.22) USER MOD Single : A 46 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.59) USER MOD Single : A 48 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.77) USER MOD Single : A 52 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.857 K(o=0.86,f=-1.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 81 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.04) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 72:sc= 1.22 USER MOD Single : A 89 GLN : amide:sc= -0.0802 K(o=-0.08,f=-0.74) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 99 GLN : amide:sc= 0.971 K(o=0.97,f=-5.1!) USER MOD Single : A 107 LYS NZ :NH3+ -164:sc= 1.53 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 13.286 4.897 10.031 1.00 0.00 N ATOM 65 CA LYS A 5 13.043 4.605 8.625 1.00 0.00 C ATOM 66 C LYS A 5 11.949 3.557 8.469 1.00 0.00 C ATOM 67 O LYS A 5 11.235 3.537 7.464 1.00 0.00 O ATOM 68 CB LYS A 5 14.330 4.144 7.947 1.00 0.00 C ATOM 69 CG LYS A 5 15.451 5.166 8.018 1.00 0.00 C ATOM 70 CD LYS A 5 16.718 4.651 7.362 1.00 0.00 C ATOM 71 CE LYS A 5 17.882 5.606 7.568 1.00 0.00 C ATOM 72 NZ LYS A 5 17.616 6.952 7.001 1.00 0.00 N ATOM 0 HA LYS A 5 12.705 5.520 8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 5 14.664 3.217 8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.120 3.919 6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.136 6.087 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 5 15.654 5.412 9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.971 3.674 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.545 4.512 6.295 1.00 0.00 H new ATOM 0 HE2 LYS A 5 18.089 5.698 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.777 5.190 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.479 7.530 7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.329 6.859 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.854 7.411 7.540 1.00 0.00 H new ATOM 86 N LEU A 6 11.815 2.691 9.464 1.00 0.00 N ATOM 87 CA LEU A 6 10.768 1.681 9.451 1.00 0.00 C ATOM 88 C LEU A 6 9.402 2.356 9.519 1.00 0.00 C ATOM 89 O LEU A 6 8.464 1.958 8.829 1.00 0.00 O ATOM 90 CB LEU A 6 10.937 0.694 10.614 1.00 0.00 C ATOM 91 CG LEU A 6 12.273 -0.061 10.669 1.00 0.00 C ATOM 92 CD1 LEU A 6 12.275 -1.070 11.804 1.00 0.00 C ATOM 93 CD2 LEU A 6 12.570 -0.745 9.339 1.00 0.00 C ATOM 0 H LEU A 6 12.416 2.668 10.287 1.00 0.00 H new ATOM 0 HA LEU A 6 10.843 1.116 8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.813 1.241 11.549 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.131 -0.038 10.563 1.00 0.00 H new ATOM 0 HG LEU A 6 13.062 0.667 10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 6 13.231 -1.593 11.824 1.00 0.00 H new ATOM 0 HD12 LEU A 6 12.125 -0.552 12.751 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.471 -1.790 11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.522 -1.272 9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.776 -1.456 9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.625 0.004 8.549 1.00 0.00 H new ATOM 105 N ARG A 7 9.306 3.398 10.345 1.00 0.00 N ATOM 106 CA ARG A 7 8.073 4.174 10.462 1.00 0.00 C ATOM 107 C ARG A 7 7.805 4.909 9.155 1.00 0.00 C ATOM 108 O ARG A 7 6.660 5.042 8.719 1.00 0.00 O ATOM 109 CB ARG A 7 8.170 5.186 11.606 1.00 0.00 C ATOM 110 CG ARG A 7 8.488 4.574 12.959 1.00 0.00 C ATOM 111 CD ARG A 7 8.460 5.622 14.064 1.00 0.00 C ATOM 112 NE ARG A 7 9.320 6.777 13.763 1.00 0.00 N ATOM 113 CZ ARG A 7 9.951 7.510 14.686 1.00 0.00 C ATOM 114 NH1 ARG A 7 9.901 7.163 15.966 1.00 0.00 N ATOM 115 NH2 ARG A 7 10.649 8.582 14.320 1.00 0.00 N ATOM 0 H ARG A 7 10.067 3.723 10.942 1.00 0.00 H new ATOM 0 HA ARG A 7 7.254 3.487 10.676 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.939 5.919 11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 7 7.226 5.726 11.678 1.00 0.00 H new ATOM 0 HG2 ARG A 7 7.767 3.788 13.183 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.471 4.105 12.926 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.435 5.964 14.211 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.782 5.167 15.001 1.00 0.00 H new ATOM 0 HE ARG A 7 9.443 7.036 12.784 1.00 0.00 H new ATOM 0 HH11 ARG A 7 9.379 6.334 16.250 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.384 7.726 16.666 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.702 8.844 13.336 1.00 0.00 H new ATOM 0 HH22 ARG A 7 11.131 9.142 15.024 1.00 0.00 H new ATOM 129 N GLN A 8 8.885 5.370 8.529 1.00 0.00 N ATOM 130 CA GLN A 8 8.810 6.073 7.253 1.00 0.00 C ATOM 131 C GLN A 8 8.238 5.174 6.174 1.00 0.00 C ATOM 132 O GLN A 8 7.545 5.637 5.291 1.00 0.00 O ATOM 133 CB GLN A 8 10.188 6.586 6.832 1.00 0.00 C ATOM 134 CG GLN A 8 10.749 7.647 7.760 1.00 0.00 C ATOM 135 CD GLN A 8 9.942 8.934 7.748 1.00 0.00 C ATOM 136 OE1 GLN A 8 9.428 9.311 6.590 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 9.808 9.599 8.772 1.00 0.00 N flip ATOM 0 H GLN A 8 9.833 5.267 8.891 1.00 0.00 H new ATOM 0 HA GLN A 8 8.145 6.927 7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.882 5.747 6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.122 6.995 5.824 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.780 7.254 8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.777 7.867 7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.219 9.276 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.285 10.475 8.747 1.00 0.00 H new ATOM 146 N THR A 9 8.527 3.884 6.269 1.00 0.00 N ATOM 147 CA THR A 9 8.062 2.914 5.287 1.00 0.00 C ATOM 148 C THR A 9 6.528 2.886 5.217 1.00 0.00 C ATOM 149 O THR A 9 5.948 2.868 4.128 1.00 0.00 O ATOM 150 CB THR A 9 8.586 1.506 5.629 1.00 0.00 C ATOM 151 OG1 THR A 9 10.022 1.530 5.711 1.00 0.00 O ATOM 152 CG2 THR A 9 8.152 0.491 4.578 1.00 0.00 C ATOM 0 H THR A 9 9.086 3.482 7.022 1.00 0.00 H new ATOM 0 HA THR A 9 8.450 3.218 4.315 1.00 0.00 H new ATOM 0 HB THR A 9 8.166 1.208 6.590 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.298 2.127 6.437 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.535 -0.494 4.844 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.063 0.457 4.533 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.547 0.783 3.605 1.00 0.00 H new ATOM 160 N GLY A 10 5.884 2.899 6.378 1.00 0.00 N ATOM 161 CA GLY A 10 4.434 2.890 6.417 1.00 0.00 C ATOM 162 C GLY A 10 3.839 4.173 5.868 1.00 0.00 C ATOM 163 O GLY A 10 2.868 4.147 5.110 1.00 0.00 O ATOM 0 H GLY A 10 6.339 2.916 7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.062 2.043 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.101 2.747 7.445 1.00 0.00 H new ATOM 167 N ASP A 11 4.433 5.296 6.247 1.00 0.00 N ATOM 168 CA ASP A 11 3.968 6.609 5.800 1.00 0.00 C ATOM 169 C ASP A 11 4.250 6.813 4.311 1.00 0.00 C ATOM 170 O ASP A 11 3.460 7.432 3.593 1.00 0.00 O ATOM 171 CB ASP A 11 4.627 7.717 6.619 1.00 0.00 C ATOM 172 CG ASP A 11 4.033 9.078 6.329 1.00 0.00 C ATOM 173 OD1 ASP A 11 2.937 9.367 6.835 1.00 0.00 O ATOM 174 OD2 ASP A 11 4.667 9.872 5.609 1.00 0.00 O1- ATOM 0 H ASP A 11 5.243 5.327 6.866 1.00 0.00 H new ATOM 0 HA ASP A 11 2.890 6.654 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.518 7.495 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.696 7.737 6.405 1.00 0.00 H new ATOM 179 N GLU A 12 5.376 6.272 3.858 1.00 0.00 N ATOM 180 CA GLU A 12 5.797 6.372 2.465 1.00 0.00 C ATOM 181 C GLU A 12 4.753 5.751 1.549 1.00 0.00 C ATOM 182 O GLU A 12 4.538 6.221 0.435 1.00 0.00 O ATOM 183 CB GLU A 12 7.153 5.691 2.266 1.00 0.00 C ATOM 184 CG GLU A 12 7.833 6.032 0.949 1.00 0.00 C ATOM 185 CD GLU A 12 8.114 7.514 0.809 1.00 0.00 C ATOM 186 OE1 GLU A 12 8.921 8.051 1.599 1.00 0.00 O ATOM 187 OE2 GLU A 12 7.550 8.146 -0.101 1.00 0.00 O1- ATOM 0 H GLU A 12 6.024 5.750 4.448 1.00 0.00 H new ATOM 0 HA GLU A 12 5.899 7.427 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.813 5.973 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.017 4.611 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.769 5.479 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.202 5.705 0.122 1.00 0.00 H new ATOM 194 N LEU A 13 4.102 4.691 2.028 1.00 0.00 N ATOM 195 CA LEU A 13 3.044 4.040 1.266 1.00 0.00 C ATOM 196 C LEU A 13 1.943 5.040 0.955 1.00 0.00 C ATOM 197 O LEU A 13 1.505 5.159 -0.187 1.00 0.00 O ATOM 198 CB LEU A 13 2.456 2.864 2.058 1.00 0.00 C ATOM 199 CG LEU A 13 3.307 1.598 2.120 1.00 0.00 C ATOM 200 CD1 LEU A 13 2.760 0.641 3.167 1.00 0.00 C ATOM 201 CD2 LEU A 13 3.335 0.920 0.759 1.00 0.00 C ATOM 0 H LEU A 13 4.290 4.268 2.937 1.00 0.00 H new ATOM 0 HA LEU A 13 3.469 3.663 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.266 3.199 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.491 2.606 1.622 1.00 0.00 H new ATOM 0 HG LEU A 13 4.323 1.876 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.378 -0.256 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.773 1.124 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.736 0.368 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.945 0.018 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.320 0.654 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.761 1.601 0.022 1.00 0.00 H new ATOM 213 N VAL A 14 1.527 5.781 1.971 1.00 0.00 N ATOM 214 CA VAL A 14 0.485 6.781 1.814 1.00 0.00 C ATOM 215 C VAL A 14 0.913 7.837 0.797 1.00 0.00 C ATOM 216 O VAL A 14 0.143 8.209 -0.089 1.00 0.00 O ATOM 217 CB VAL A 14 0.152 7.468 3.162 1.00 0.00 C ATOM 218 CG1 VAL A 14 -0.995 8.457 3.001 1.00 0.00 C ATOM 219 CG2 VAL A 14 -0.180 6.428 4.223 1.00 0.00 C ATOM 0 H VAL A 14 1.899 5.707 2.918 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.410 6.271 1.457 1.00 0.00 H new ATOM 0 HB VAL A 14 1.032 8.023 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.209 8.926 3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.716 9.223 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.882 7.931 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.411 6.928 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.042 5.843 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.675 5.767 4.365 1.00 0.00 H new ATOM 229 N GLN A 15 2.159 8.290 0.917 1.00 0.00 N ATOM 230 CA GLN A 15 2.704 9.302 0.015 1.00 0.00 C ATOM 231 C GLN A 15 2.771 8.779 -1.420 1.00 0.00 C ATOM 232 O GLN A 15 2.438 9.494 -2.367 1.00 0.00 O ATOM 233 CB GLN A 15 4.099 9.734 0.464 1.00 0.00 C ATOM 234 CG GLN A 15 4.166 10.259 1.886 1.00 0.00 C ATOM 235 CD GLN A 15 5.530 10.826 2.221 1.00 0.00 C ATOM 236 OE1 GLN A 15 6.222 11.364 1.356 1.00 0.00 O ATOM 237 NE2 GLN A 15 5.933 10.709 3.465 1.00 0.00 N ATOM 0 H GLN A 15 2.812 7.971 1.633 1.00 0.00 H new ATOM 0 HA GLN A 15 2.036 10.163 0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.776 8.885 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.462 10.507 -0.213 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.409 11.032 2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.928 9.454 2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.333 10.257 4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.846 11.070 3.741 1.00 0.00 H new ATOM 246 N ALA A 16 3.191 7.525 -1.570 1.00 0.00 N ATOM 247 CA ALA A 16 3.310 6.901 -2.883 1.00 0.00 C ATOM 248 C ALA A 16 1.965 6.862 -3.587 1.00 0.00 C ATOM 249 O ALA A 16 1.864 7.171 -4.773 1.00 0.00 O ATOM 250 CB ALA A 16 3.883 5.497 -2.752 1.00 0.00 C ATOM 0 H ALA A 16 3.456 6.919 -0.793 1.00 0.00 H new ATOM 0 HA ALA A 16 3.991 7.501 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.966 5.044 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.870 5.548 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.224 4.892 -2.130 1.00 0.00 H new ATOM 256 N PHE A 17 0.930 6.503 -2.847 1.00 0.00 N ATOM 257 CA PHE A 17 -0.415 6.461 -3.391 1.00 0.00 C ATOM 258 C PHE A 17 -0.901 7.849 -3.789 1.00 0.00 C ATOM 259 O PHE A 17 -1.615 7.998 -4.777 1.00 0.00 O ATOM 260 CB PHE A 17 -1.387 5.764 -2.443 1.00 0.00 C ATOM 261 CG PHE A 17 -1.192 4.273 -2.414 1.00 0.00 C ATOM 262 CD1 PHE A 17 -0.692 3.645 -1.292 1.00 0.00 C ATOM 263 CD2 PHE A 17 -1.496 3.504 -3.524 1.00 0.00 C ATOM 264 CE1 PHE A 17 -0.498 2.279 -1.273 1.00 0.00 C ATOM 265 CE2 PHE A 17 -1.308 2.136 -3.511 1.00 0.00 C ATOM 266 CZ PHE A 17 -0.809 1.524 -2.385 1.00 0.00 C ATOM 0 H PHE A 17 0.997 6.236 -1.865 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.379 5.862 -4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.258 6.164 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.410 5.988 -2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.449 4.230 -0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.885 3.980 -4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.103 1.801 -0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.552 1.548 -4.383 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.661 0.454 -2.371 1.00 0.00 H new ATOM 276 N GLN A 18 -0.522 8.865 -3.016 1.00 0.00 N ATOM 277 CA GLN A 18 -0.882 10.242 -3.342 1.00 0.00 C ATOM 278 C GLN A 18 -0.298 10.622 -4.705 1.00 0.00 C ATOM 279 O GLN A 18 -0.968 11.252 -5.528 1.00 0.00 O ATOM 280 CB GLN A 18 -0.362 11.205 -2.271 1.00 0.00 C ATOM 281 CG GLN A 18 -0.924 10.954 -0.881 1.00 0.00 C ATOM 282 CD GLN A 18 -2.431 11.098 -0.817 1.00 0.00 C ATOM 283 OE1 GLN A 18 -3.027 11.882 -1.557 1.00 0.00 O ATOM 284 NE2 GLN A 18 -3.054 10.345 0.063 1.00 0.00 N ATOM 0 H GLN A 18 0.031 8.761 -2.165 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.969 10.316 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.725 11.132 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.602 12.226 -2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.646 9.950 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -0.468 11.652 -0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.522 9.709 0.657 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.069 10.397 0.152 1.00 0.00 H new ATOM 293 N ARG A 19 0.950 10.216 -4.936 1.00 0.00 N ATOM 294 CA ARG A 19 1.627 10.463 -6.211 1.00 0.00 C ATOM 295 C ARG A 19 0.949 9.660 -7.314 1.00 0.00 C ATOM 296 O ARG A 19 0.700 10.164 -8.408 1.00 0.00 O ATOM 297 CB ARG A 19 3.101 10.050 -6.116 1.00 0.00 C ATOM 298 CG ARG A 19 3.849 10.699 -4.971 1.00 0.00 C ATOM 299 CD ARG A 19 5.228 10.084 -4.782 1.00 0.00 C ATOM 300 NE ARG A 19 5.861 10.559 -3.553 1.00 0.00 N ATOM 301 CZ ARG A 19 6.364 9.767 -2.601 1.00 0.00 C ATOM 302 NH1 ARG A 19 6.385 8.448 -2.758 1.00 0.00 N ATOM 303 NH2 ARG A 19 6.863 10.294 -1.501 1.00 0.00 N ATOM 0 H ARG A 19 1.516 9.712 -4.254 1.00 0.00 H new ATOM 0 HA ARG A 19 1.568 11.527 -6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.158 8.967 -6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.600 10.302 -7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.950 11.768 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.273 10.591 -4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.142 8.998 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.858 10.331 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 19 5.923 11.567 -3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.015 8.030 -3.612 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.771 7.853 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.865 11.306 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.247 9.690 -0.775 1.00 0.00 H new ATOM 317 N LEU A 20 0.631 8.412 -6.990 1.00 0.00 N ATOM 318 CA LEU A 20 -0.017 7.493 -7.917 1.00 0.00 C ATOM 319 C LEU A 20 -1.374 8.046 -8.355 1.00 0.00 C ATOM 320 O LEU A 20 -1.760 7.927 -9.517 1.00 0.00 O ATOM 321 CB LEU A 20 -0.213 6.135 -7.229 1.00 0.00 C ATOM 322 CG LEU A 20 -0.661 4.980 -8.123 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.488 4.502 -8.994 1.00 0.00 C ATOM 324 CD2 LEU A 20 -1.209 3.839 -7.282 1.00 0.00 C ATOM 0 H LEU A 20 0.817 8.008 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 20 0.613 7.374 -8.799 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.727 5.854 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.949 6.257 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.457 5.338 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.149 3.679 -9.624 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.833 5.322 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.307 4.161 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.524 3.025 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.434 3.482 -6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.063 4.191 -6.704 1.00 0.00 H new ATOM 336 N ARG A 21 -2.079 8.656 -7.411 1.00 0.00 N ATOM 337 CA ARG A 21 -3.395 9.234 -7.660 1.00 0.00 C ATOM 338 C ARG A 21 -3.310 10.302 -8.749 1.00 0.00 C ATOM 339 O ARG A 21 -4.125 10.331 -9.671 1.00 0.00 O ATOM 340 CB ARG A 21 -3.925 9.867 -6.374 1.00 0.00 C ATOM 341 CG ARG A 21 -5.440 9.945 -6.283 1.00 0.00 C ATOM 342 CD ARG A 21 -6.033 8.605 -5.878 1.00 0.00 C ATOM 343 NE ARG A 21 -7.449 8.714 -5.521 1.00 0.00 N ATOM 344 CZ ARG A 21 -7.902 8.880 -4.270 1.00 0.00 C ATOM 345 NH1 ARG A 21 -7.046 9.012 -3.260 1.00 0.00 N ATOM 346 NH2 ARG A 21 -9.209 8.934 -4.036 1.00 0.00 N ATOM 0 H ARG A 21 -1.755 8.765 -6.450 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.069 8.443 -7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.552 9.296 -5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.517 10.874 -6.286 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.725 10.707 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.850 10.252 -7.245 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.920 7.896 -6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.476 8.204 -5.031 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.136 8.660 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.042 8.987 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.394 9.138 -2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.869 8.849 -4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.552 9.060 -3.084 1.00 0.00 H new ATOM 360 N GLU A 22 -2.301 11.163 -8.640 1.00 0.00 N ATOM 361 CA GLU A 22 -2.090 12.238 -9.603 1.00 0.00 C ATOM 362 C GLU A 22 -1.754 11.679 -10.971 1.00 0.00 C ATOM 363 O GLU A 22 -2.292 12.122 -11.986 1.00 0.00 O ATOM 364 CB GLU A 22 -0.963 13.157 -9.138 1.00 0.00 C ATOM 365 CG GLU A 22 -1.272 13.909 -7.863 1.00 0.00 C ATOM 366 CD GLU A 22 -2.530 14.731 -7.978 1.00 0.00 C ATOM 367 OE1 GLU A 22 -2.591 15.615 -8.861 1.00 0.00 O ATOM 368 OE2 GLU A 22 -3.464 14.507 -7.182 1.00 0.00 O1- ATOM 0 H GLU A 22 -1.613 11.135 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.015 12.810 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.061 12.563 -8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.744 13.875 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.377 13.200 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.435 14.562 -7.616 1.00 0.00 H new ATOM 375 N ILE A 23 -0.870 10.699 -10.989 1.00 0.00 N ATOM 376 CA ILE A 23 -0.450 10.073 -12.225 1.00 0.00 C ATOM 377 C ILE A 23 -1.633 9.381 -12.909 1.00 0.00 C ATOM 378 O ILE A 23 -1.790 9.458 -14.132 1.00 0.00 O ATOM 379 CB ILE A 23 0.676 9.054 -11.972 1.00 0.00 C ATOM 380 CG1 ILE A 23 1.872 9.745 -11.310 1.00 0.00 C ATOM 381 CG2 ILE A 23 1.097 8.409 -13.273 1.00 0.00 C ATOM 382 CD1 ILE A 23 2.984 8.800 -10.914 1.00 0.00 C ATOM 0 H ILE A 23 -0.427 10.318 -10.153 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.070 10.856 -12.882 1.00 0.00 H new ATOM 0 HB ILE A 23 0.305 8.278 -11.302 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.271 10.493 -11.995 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.527 10.276 -10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.894 7.690 -13.082 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.244 7.896 -13.717 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.457 9.175 -13.959 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.794 9.365 -10.452 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.602 8.066 -10.204 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.358 8.287 -11.800 1.00 0.00 H new ATOM 394 N PHE A 24 -2.467 8.721 -12.112 1.00 0.00 N ATOM 395 CA PHE A 24 -3.662 8.062 -12.626 1.00 0.00 C ATOM 396 C PHE A 24 -4.624 9.090 -13.194 1.00 0.00 C ATOM 397 O PHE A 24 -5.239 8.874 -14.236 1.00 0.00 O ATOM 398 CB PHE A 24 -4.353 7.246 -11.523 1.00 0.00 C ATOM 399 CG PHE A 24 -5.703 6.720 -11.925 1.00 0.00 C ATOM 400 CD1 PHE A 24 -5.817 5.700 -12.852 1.00 0.00 C ATOM 401 CD2 PHE A 24 -6.861 7.255 -11.380 1.00 0.00 C ATOM 402 CE1 PHE A 24 -7.057 5.226 -13.230 1.00 0.00 C ATOM 403 CE2 PHE A 24 -8.103 6.781 -11.752 1.00 0.00 C ATOM 404 CZ PHE A 24 -8.200 5.766 -12.678 1.00 0.00 C ATOM 0 H PHE A 24 -2.336 8.628 -11.105 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.361 7.380 -13.421 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.713 6.408 -11.246 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.464 7.869 -10.636 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.926 5.270 -13.285 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.790 8.053 -10.655 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.132 4.432 -13.958 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.996 7.205 -11.318 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.170 5.393 -12.972 1.00 0.00 H new ATOM 414 N ASP A 25 -4.732 10.216 -12.505 1.00 0.00 N ATOM 415 CA ASP A 25 -5.604 11.305 -12.926 1.00 0.00 C ATOM 416 C ASP A 25 -5.153 11.862 -14.276 1.00 0.00 C ATOM 417 O ASP A 25 -5.941 12.444 -15.021 1.00 0.00 O ATOM 418 CB ASP A 25 -5.612 12.410 -11.867 1.00 0.00 C ATOM 419 CG ASP A 25 -6.609 13.506 -12.167 1.00 0.00 C ATOM 420 OD1 ASP A 25 -7.828 13.260 -12.032 1.00 0.00 O ATOM 421 OD2 ASP A 25 -6.187 14.621 -12.520 1.00 0.00 O1- ATOM 0 H ASP A 25 -4.221 10.401 -11.642 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.617 10.918 -13.037 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.842 11.973 -10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.615 12.843 -11.794 1.00 0.00 H new ATOM 426 N LYS A 26 -3.878 11.668 -14.588 1.00 0.00 N ATOM 427 CA LYS A 26 -3.320 12.116 -15.855 1.00 0.00 C ATOM 428 C LYS A 26 -3.356 10.993 -16.895 1.00 0.00 C ATOM 429 O LYS A 26 -3.149 11.231 -18.083 1.00 0.00 O ATOM 430 CB LYS A 26 -1.887 12.618 -15.664 1.00 0.00 C ATOM 431 CG LYS A 26 -1.771 13.805 -14.717 1.00 0.00 C ATOM 432 CD LYS A 26 -2.604 14.985 -15.199 1.00 0.00 C ATOM 433 CE LYS A 26 -2.458 16.184 -14.277 1.00 0.00 C ATOM 434 NZ LYS A 26 -1.060 16.673 -14.217 1.00 0.00 N ATOM 0 H LYS A 26 -3.209 11.201 -13.976 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.932 12.941 -16.221 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.274 11.801 -15.284 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.478 12.899 -16.635 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.098 13.510 -13.720 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.726 14.105 -14.634 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.296 15.261 -16.208 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.653 14.693 -15.254 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.108 16.988 -14.622 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.790 15.913 -13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.037 17.601 -13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.479 15.998 -13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.682 16.764 -15.182 1.00 0.00 H new ATOM 448 N GLY A 27 -3.614 9.774 -16.432 1.00 0.00 N ATOM 449 CA GLY A 27 -3.715 8.631 -17.323 1.00 0.00 C ATOM 450 C GLY A 27 -2.368 8.118 -17.802 1.00 0.00 C ATOM 451 O GLY A 27 -2.293 7.397 -18.798 1.00 0.00 O ATOM 0 H GLY A 27 -3.756 9.556 -15.446 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.241 7.825 -16.810 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.319 8.906 -18.188 1.00 0.00 H new ATOM 455 N ASP A 28 -1.307 8.466 -17.092 1.00 0.00 N ATOM 456 CA ASP A 28 0.035 8.045 -17.488 1.00 0.00 C ATOM 457 C ASP A 28 0.370 6.677 -16.899 1.00 0.00 C ATOM 458 O ASP A 28 0.836 6.570 -15.765 1.00 0.00 O ATOM 459 CB ASP A 28 1.081 9.078 -17.075 1.00 0.00 C ATOM 460 CG ASP A 28 2.425 8.832 -17.733 1.00 0.00 C ATOM 461 OD1 ASP A 28 3.159 7.935 -17.287 1.00 0.00 O ATOM 462 OD2 ASP A 28 2.752 9.545 -18.703 1.00 0.00 O1- ATOM 0 H ASP A 28 -1.343 9.034 -16.245 1.00 0.00 H new ATOM 0 HA ASP A 28 0.051 7.965 -18.575 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.727 10.075 -17.338 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.200 9.058 -15.992 1.00 0.00 H new ATOM 467 N ASP A 29 0.107 5.636 -17.669 1.00 0.00 N ATOM 468 CA ASP A 29 0.336 4.257 -17.228 1.00 0.00 C ATOM 469 C ASP A 29 1.820 3.964 -16.997 1.00 0.00 C ATOM 470 O ASP A 29 2.170 3.157 -16.133 1.00 0.00 O ATOM 471 CB ASP A 29 -0.250 3.265 -18.242 1.00 0.00 C ATOM 472 CG ASP A 29 0.380 3.389 -19.612 1.00 0.00 C ATOM 473 OD1 ASP A 29 -0.005 4.307 -20.366 1.00 0.00 O ATOM 474 OD2 ASP A 29 1.266 2.574 -19.941 1.00 0.00 O1- ATOM 0 H ASP A 29 -0.269 5.714 -18.614 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.173 4.136 -16.272 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.110 2.249 -17.873 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.324 3.429 -18.325 1.00 0.00 H new ATOM 479 N ASP A 30 2.682 4.636 -17.752 1.00 0.00 N ATOM 480 CA ASP A 30 4.131 4.436 -17.636 1.00 0.00 C ATOM 481 C ASP A 30 4.616 4.799 -16.239 1.00 0.00 C ATOM 482 O ASP A 30 5.317 4.019 -15.586 1.00 0.00 O ATOM 483 CB ASP A 30 4.870 5.284 -18.676 1.00 0.00 C ATOM 484 CG ASP A 30 6.380 5.171 -18.564 1.00 0.00 C ATOM 485 OD1 ASP A 30 6.969 4.300 -19.238 1.00 0.00 O ATOM 486 OD2 ASP A 30 6.986 5.966 -17.818 1.00 0.00 O1- ATOM 0 H ASP A 30 2.408 5.325 -18.452 1.00 0.00 H new ATOM 0 HA ASP A 30 4.343 3.382 -17.817 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.561 4.976 -19.675 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.579 6.328 -18.560 1.00 0.00 H new ATOM 491 N SER A 31 4.227 5.975 -15.784 1.00 0.00 N ATOM 492 CA SER A 31 4.609 6.459 -14.474 1.00 0.00 C ATOM 493 C SER A 31 3.915 5.660 -13.367 1.00 0.00 C ATOM 494 O SER A 31 4.474 5.477 -12.281 1.00 0.00 O ATOM 495 CB SER A 31 4.309 7.948 -14.349 1.00 0.00 C ATOM 496 OG SER A 31 4.864 8.665 -15.440 1.00 0.00 O ATOM 0 H SER A 31 3.639 6.619 -16.312 1.00 0.00 H new ATOM 0 HA SER A 31 5.683 6.317 -14.357 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.231 8.105 -14.315 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.716 8.329 -13.412 1.00 0.00 H new ATOM 0 HG SER A 31 4.412 8.402 -16.269 1.00 0.00 H new ATOM 502 N LEU A 32 2.698 5.176 -13.647 1.00 0.00 N ATOM 503 CA LEU A 32 1.951 4.387 -12.674 1.00 0.00 C ATOM 504 C LEU A 32 2.724 3.131 -12.314 1.00 0.00 C ATOM 505 O LEU A 32 2.875 2.803 -11.139 1.00 0.00 O ATOM 506 CB LEU A 32 0.572 3.986 -13.228 1.00 0.00 C ATOM 507 CG LEU A 32 -0.475 5.098 -13.347 1.00 0.00 C ATOM 508 CD1 LEU A 32 -1.757 4.556 -13.963 1.00 0.00 C ATOM 509 CD2 LEU A 32 -0.767 5.704 -11.989 1.00 0.00 C ATOM 0 H LEU A 32 2.217 5.319 -14.535 1.00 0.00 H new ATOM 0 HA LEU A 32 1.810 5.002 -11.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.717 3.549 -14.216 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.164 3.202 -12.589 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.074 5.876 -13.996 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.491 5.358 -14.041 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.545 4.161 -14.956 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.155 3.760 -13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.513 6.492 -12.095 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.147 4.932 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.149 6.125 -11.574 1.00 0.00 H new ATOM 521 N GLU A 33 3.243 2.451 -13.330 1.00 0.00 N ATOM 522 CA GLU A 33 3.993 1.223 -13.129 1.00 0.00 C ATOM 523 C GLU A 33 5.238 1.471 -12.268 1.00 0.00 C ATOM 524 O GLU A 33 5.608 0.633 -11.440 1.00 0.00 O ATOM 525 CB GLU A 33 4.391 0.619 -14.474 1.00 0.00 C ATOM 526 CG GLU A 33 4.979 -0.774 -14.364 1.00 0.00 C ATOM 527 CD GLU A 33 5.489 -1.298 -15.685 1.00 0.00 C ATOM 528 OE1 GLU A 33 4.711 -1.924 -16.420 1.00 0.00 O ATOM 529 OE2 GLU A 33 6.686 -1.090 -15.989 1.00 0.00 O1- ATOM 0 H GLU A 33 3.156 2.734 -14.306 1.00 0.00 H new ATOM 0 HA GLU A 33 3.351 0.518 -12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.514 0.584 -15.121 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.117 1.274 -14.956 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.796 -0.763 -13.643 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.221 -1.454 -13.976 1.00 0.00 H new ATOM 536 N GLN A 34 5.869 2.630 -12.461 1.00 0.00 N ATOM 537 CA GLN A 34 7.071 2.988 -11.707 1.00 0.00 C ATOM 538 C GLN A 34 6.772 3.048 -10.213 1.00 0.00 C ATOM 539 O GLN A 34 7.498 2.475 -9.398 1.00 0.00 O ATOM 540 CB GLN A 34 7.601 4.347 -12.160 1.00 0.00 C ATOM 541 CG GLN A 34 7.869 4.461 -13.646 1.00 0.00 C ATOM 542 CD GLN A 34 8.335 5.849 -14.030 1.00 0.00 C ATOM 543 OE1 GLN A 34 8.989 6.535 -13.246 1.00 0.00 O ATOM 544 NE2 GLN A 34 7.989 6.281 -15.221 1.00 0.00 N ATOM 0 H GLN A 34 5.568 3.336 -13.132 1.00 0.00 H new ATOM 0 HA GLN A 34 7.822 2.221 -11.895 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.882 5.115 -11.875 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.525 4.559 -11.621 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.625 3.731 -13.936 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.962 4.217 -14.198 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.446 5.682 -15.843 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.263 7.216 -15.524 1.00 0.00 H new ATOM 553 N VAL A 35 5.690 3.730 -9.867 1.00 0.00 N ATOM 554 CA VAL A 35 5.282 3.876 -8.477 1.00 0.00 C ATOM 555 C VAL A 35 4.779 2.549 -7.921 1.00 0.00 C ATOM 556 O VAL A 35 5.028 2.221 -6.768 1.00 0.00 O ATOM 557 CB VAL A 35 4.192 4.963 -8.318 1.00 0.00 C ATOM 558 CG1 VAL A 35 3.796 5.133 -6.858 1.00 0.00 C ATOM 559 CG2 VAL A 35 4.673 6.285 -8.893 1.00 0.00 C ATOM 0 H VAL A 35 5.075 4.194 -10.535 1.00 0.00 H new ATOM 0 HA VAL A 35 6.159 4.188 -7.910 1.00 0.00 H new ATOM 0 HB VAL A 35 3.311 4.640 -8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.029 5.903 -6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.406 4.190 -6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.669 5.428 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.895 7.039 -8.773 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.572 6.605 -8.367 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.898 6.161 -9.952 1.00 0.00 H new ATOM 569 N LEU A 36 4.093 1.775 -8.759 1.00 0.00 N ATOM 570 CA LEU A 36 3.583 0.472 -8.339 1.00 0.00 C ATOM 571 C LEU A 36 4.730 -0.438 -7.920 1.00 0.00 C ATOM 572 O LEU A 36 4.601 -1.222 -6.983 1.00 0.00 O ATOM 573 CB LEU A 36 2.770 -0.191 -9.457 1.00 0.00 C ATOM 574 CG LEU A 36 1.469 0.511 -9.853 1.00 0.00 C ATOM 575 CD1 LEU A 36 0.791 -0.231 -10.991 1.00 0.00 C ATOM 576 CD2 LEU A 36 0.534 0.627 -8.661 1.00 0.00 C ATOM 0 H LEU A 36 3.879 2.024 -9.725 1.00 0.00 H new ATOM 0 HA LEU A 36 2.924 0.631 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.402 -0.266 -10.342 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.530 -1.209 -9.149 1.00 0.00 H new ATOM 0 HG LEU A 36 1.714 1.517 -10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.133 0.281 -11.260 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.456 -0.259 -11.854 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.562 -1.249 -10.676 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.384 1.129 -8.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.296 -0.369 -8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.019 1.204 -7.873 1.00 0.00 H new ATOM 588 N GLU A 37 5.851 -0.323 -8.617 1.00 0.00 N ATOM 589 CA GLU A 37 7.031 -1.100 -8.286 1.00 0.00 C ATOM 590 C GLU A 37 7.588 -0.648 -6.936 1.00 0.00 C ATOM 591 O GLU A 37 7.984 -1.470 -6.109 1.00 0.00 O ATOM 592 CB GLU A 37 8.091 -0.956 -9.378 1.00 0.00 C ATOM 593 CG GLU A 37 9.299 -1.853 -9.180 1.00 0.00 C ATOM 594 CD GLU A 37 10.334 -1.675 -10.263 1.00 0.00 C ATOM 595 OE1 GLU A 37 11.187 -0.774 -10.132 1.00 0.00 O ATOM 596 OE2 GLU A 37 10.301 -2.439 -11.257 1.00 0.00 O1- ATOM 0 H GLU A 37 5.966 0.302 -9.415 1.00 0.00 H new ATOM 0 HA GLU A 37 6.753 -2.152 -8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.638 -1.180 -10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.423 0.082 -9.415 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.751 -1.640 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.975 -2.894 -9.159 1.00 0.00 H new ATOM 603 N GLU A 38 7.597 0.668 -6.717 1.00 0.00 N ATOM 604 CA GLU A 38 8.054 1.230 -5.451 1.00 0.00 C ATOM 605 C GLU A 38 7.173 0.751 -4.317 1.00 0.00 C ATOM 606 O GLU A 38 7.661 0.324 -3.271 1.00 0.00 O ATOM 607 CB GLU A 38 8.034 2.757 -5.494 1.00 0.00 C ATOM 608 CG GLU A 38 9.088 3.375 -6.381 1.00 0.00 C ATOM 609 CD GLU A 38 9.164 4.870 -6.204 1.00 0.00 C ATOM 610 OE1 GLU A 38 10.003 5.335 -5.403 1.00 0.00 O ATOM 611 OE2 GLU A 38 8.382 5.590 -6.852 1.00 0.00 O1- ATOM 0 H GLU A 38 7.293 1.361 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 38 9.078 0.894 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.052 3.085 -5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.162 3.138 -4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.058 2.933 -6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.867 3.143 -7.423 1.00 0.00 H new ATOM 618 N ILE A 39 5.871 0.810 -4.542 1.00 0.00 N ATOM 619 CA ILE A 39 4.900 0.369 -3.566 1.00 0.00 C ATOM 620 C ILE A 39 5.099 -1.110 -3.257 1.00 0.00 C ATOM 621 O ILE A 39 4.988 -1.526 -2.114 1.00 0.00 O ATOM 622 CB ILE A 39 3.451 0.618 -4.051 1.00 0.00 C ATOM 623 CG1 ILE A 39 3.220 2.117 -4.270 1.00 0.00 C ATOM 624 CG2 ILE A 39 2.445 0.072 -3.043 1.00 0.00 C ATOM 625 CD1 ILE A 39 1.889 2.446 -4.909 1.00 0.00 C ATOM 0 H ILE A 39 5.462 1.165 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 39 5.054 0.952 -2.658 1.00 0.00 H new ATOM 0 HB ILE A 39 3.308 0.095 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.287 2.629 -3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.020 2.510 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.433 0.257 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.597 -1.001 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.586 0.569 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.801 3.526 -5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.825 1.964 -5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.081 2.085 -4.273 1.00 0.00 H new ATOM 637 N GLU A 40 5.433 -1.886 -4.285 1.00 0.00 N ATOM 638 CA GLU A 40 5.656 -3.323 -4.129 1.00 0.00 C ATOM 639 C GLU A 40 6.772 -3.574 -3.121 1.00 0.00 C ATOM 640 O GLU A 40 6.632 -4.397 -2.211 1.00 0.00 O ATOM 641 CB GLU A 40 6.020 -3.942 -5.483 1.00 0.00 C ATOM 642 CG GLU A 40 6.311 -5.437 -5.445 1.00 0.00 C ATOM 643 CD GLU A 40 5.093 -6.274 -5.118 1.00 0.00 C ATOM 644 OE1 GLU A 40 5.008 -6.796 -3.994 1.00 0.00 O ATOM 645 OE2 GLU A 40 4.224 -6.430 -6.000 1.00 0.00 O1- ATOM 0 H GLU A 40 5.556 -1.544 -5.238 1.00 0.00 H new ATOM 0 HA GLU A 40 4.741 -3.787 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.201 -3.763 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.895 -3.426 -5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.709 -5.748 -6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.087 -5.631 -4.704 1.00 0.00 H new ATOM 652 N GLU A 41 7.866 -2.836 -3.268 1.00 0.00 N ATOM 653 CA GLU A 41 8.987 -2.956 -2.359 1.00 0.00 C ATOM 654 C GLU A 41 8.577 -2.520 -0.959 1.00 0.00 C ATOM 655 O GLU A 41 8.901 -3.176 0.027 1.00 0.00 O ATOM 656 CB GLU A 41 10.161 -2.107 -2.835 1.00 0.00 C ATOM 657 CG GLU A 41 11.412 -2.288 -1.995 1.00 0.00 C ATOM 658 CD GLU A 41 12.459 -1.245 -2.275 1.00 0.00 C ATOM 659 OE1 GLU A 41 13.060 -1.271 -3.369 1.00 0.00 O ATOM 660 OE2 GLU A 41 12.694 -0.387 -1.393 1.00 0.00 O1- ATOM 0 H GLU A 41 7.996 -2.149 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 41 9.296 -4.001 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.387 -2.360 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.870 -1.057 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.143 -2.252 -0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.831 -3.276 -2.184 1.00 0.00 H new ATOM 667 N LEU A 42 7.846 -1.412 -0.888 1.00 0.00 N ATOM 668 CA LEU A 42 7.382 -0.871 0.382 1.00 0.00 C ATOM 669 C LEU A 42 6.470 -1.859 1.098 1.00 0.00 C ATOM 670 O LEU A 42 6.553 -2.016 2.307 1.00 0.00 O ATOM 671 CB LEU A 42 6.652 0.454 0.170 1.00 0.00 C ATOM 672 CG LEU A 42 7.477 1.581 -0.445 1.00 0.00 C ATOM 673 CD1 LEU A 42 6.608 2.803 -0.696 1.00 0.00 C ATOM 674 CD2 LEU A 42 8.653 1.940 0.451 1.00 0.00 C ATOM 0 H LEU A 42 7.561 -0.869 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 42 8.258 -0.695 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.788 0.272 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.270 0.794 1.133 1.00 0.00 H new ATOM 0 HG LEU A 42 7.869 1.233 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.213 3.596 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.801 2.541 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.185 3.149 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.227 2.745 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.283 2.265 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.292 1.067 0.580 1.00 0.00 H new ATOM 686 N ILE A 43 5.603 -2.521 0.341 1.00 0.00 N ATOM 687 CA ILE A 43 4.692 -3.516 0.905 1.00 0.00 C ATOM 688 C ILE A 43 5.473 -4.667 1.531 1.00 0.00 C ATOM 689 O ILE A 43 5.187 -5.085 2.651 1.00 0.00 O ATOM 690 CB ILE A 43 3.712 -4.076 -0.163 1.00 0.00 C ATOM 691 CG1 ILE A 43 2.806 -2.958 -0.682 1.00 0.00 C ATOM 692 CG2 ILE A 43 2.875 -5.218 0.414 1.00 0.00 C ATOM 693 CD1 ILE A 43 1.831 -3.399 -1.756 1.00 0.00 C ATOM 0 H ILE A 43 5.510 -2.388 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 43 4.107 -3.012 1.674 1.00 0.00 H new ATOM 0 HB ILE A 43 4.296 -4.471 -0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.245 -2.542 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.428 -2.156 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.196 -5.594 -0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.534 -6.022 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.297 -4.853 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.226 -2.548 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.383 -3.787 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.181 -4.179 -1.360 1.00 0.00 H new ATOM 705 N GLN A 44 6.469 -5.159 0.810 1.00 0.00 N ATOM 706 CA GLN A 44 7.306 -6.249 1.298 1.00 0.00 C ATOM 707 C GLN A 44 8.151 -5.784 2.481 1.00 0.00 C ATOM 708 O GLN A 44 8.386 -6.535 3.431 1.00 0.00 O ATOM 709 CB GLN A 44 8.199 -6.771 0.179 1.00 0.00 C ATOM 710 CG GLN A 44 7.427 -7.291 -1.019 1.00 0.00 C ATOM 711 CD GLN A 44 8.331 -7.769 -2.131 1.00 0.00 C ATOM 712 OE1 GLN A 44 9.445 -7.270 -2.307 1.00 0.00 O ATOM 713 NE2 GLN A 44 7.863 -8.732 -2.890 1.00 0.00 N ATOM 0 H GLN A 44 6.719 -4.820 -0.119 1.00 0.00 H new ATOM 0 HA GLN A 44 6.660 -7.060 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.864 -5.972 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.829 -7.570 0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.782 -8.111 -0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.777 -6.502 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.936 -9.118 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.426 -9.095 -3.659 1.00 0.00 H new ATOM 722 N LYS A 45 8.599 -4.541 2.410 1.00 0.00 N ATOM 723 CA LYS A 45 9.384 -3.929 3.472 1.00 0.00 C ATOM 724 C LYS A 45 8.521 -3.801 4.731 1.00 0.00 C ATOM 725 O LYS A 45 8.966 -4.088 5.841 1.00 0.00 O ATOM 726 CB LYS A 45 9.857 -2.546 3.015 1.00 0.00 C ATOM 727 CG LYS A 45 11.079 -2.013 3.749 1.00 0.00 C ATOM 728 CD LYS A 45 11.370 -0.560 3.367 1.00 0.00 C ATOM 729 CE LYS A 45 11.511 -0.369 1.854 1.00 0.00 C ATOM 730 NZ LYS A 45 12.733 -1.016 1.307 1.00 0.00 N ATOM 0 H LYS A 45 8.429 -3.926 1.614 1.00 0.00 H new ATOM 0 HA LYS A 45 10.252 -4.548 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.081 -2.588 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.038 -1.838 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.918 -2.083 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.945 -2.633 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.567 0.078 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.287 -0.235 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.633 -0.780 1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.536 0.697 1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.688 -1.020 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.574 -0.487 1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.793 -1.994 1.655 1.00 0.00 H new ATOM 744 N HIS A 46 7.279 -3.378 4.532 1.00 0.00 N ATOM 745 CA HIS A 46 6.311 -3.240 5.611 1.00 0.00 C ATOM 746 C HIS A 46 5.958 -4.625 6.162 1.00 0.00 C ATOM 747 O HIS A 46 5.766 -4.804 7.363 1.00 0.00 O ATOM 748 CB HIS A 46 5.052 -2.520 5.091 1.00 0.00 C ATOM 749 CG HIS A 46 4.071 -2.117 6.153 1.00 0.00 C ATOM 750 ND1 HIS A 46 2.765 -2.552 6.202 1.00 0.00 N ATOM 751 CD2 HIS A 46 4.219 -1.270 7.203 1.00 0.00 C ATOM 752 CE1 HIS A 46 2.175 -1.968 7.251 1.00 0.00 C ATOM 753 NE2 HIS A 46 3.014 -1.182 7.894 1.00 0.00 N ATOM 0 H HIS A 46 6.914 -3.120 3.615 1.00 0.00 H new ATOM 0 HA HIS A 46 6.740 -2.644 6.417 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.360 -1.629 4.545 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.547 -3.172 4.378 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.128 -0.747 7.461 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.144 -2.121 7.534 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.821 -0.624 8.726 1.00 0.00 H new ATOM 761 N ARG A 47 5.882 -5.601 5.261 1.00 0.00 N ATOM 762 CA ARG A 47 5.616 -6.991 5.624 1.00 0.00 C ATOM 763 C ARG A 47 6.714 -7.514 6.551 1.00 0.00 C ATOM 764 O ARG A 47 6.447 -8.274 7.487 1.00 0.00 O ATOM 765 CB ARG A 47 5.548 -7.859 4.354 1.00 0.00 C ATOM 766 CG ARG A 47 5.422 -9.356 4.613 1.00 0.00 C ATOM 767 CD ARG A 47 4.060 -9.722 5.174 1.00 0.00 C ATOM 768 NE ARG A 47 3.987 -11.137 5.551 1.00 0.00 N ATOM 769 CZ ARG A 47 2.889 -11.895 5.443 1.00 0.00 C ATOM 770 NH1 ARG A 47 1.785 -11.402 4.885 1.00 0.00 N ATOM 771 NH2 ARG A 47 2.905 -13.153 5.870 1.00 0.00 N ATOM 0 H ARG A 47 6.003 -5.451 4.259 1.00 0.00 H new ATOM 0 HA ARG A 47 4.660 -7.042 6.146 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.698 -7.535 3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.444 -7.681 3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.590 -9.900 3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.198 -9.670 5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.848 -9.103 6.045 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.291 -9.504 4.433 1.00 0.00 H new ATOM 0 HE ARG A 47 4.831 -11.574 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.774 -10.443 4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.951 -11.983 4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.754 -13.542 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.068 -13.730 5.788 1.00 0.00 H new ATOM 785 N GLN A 48 7.943 -7.084 6.292 1.00 0.00 N ATOM 786 CA GLN A 48 9.090 -7.485 7.082 1.00 0.00 C ATOM 787 C GLN A 48 8.946 -7.008 8.526 1.00 0.00 C ATOM 788 O GLN A 48 9.426 -7.657 9.453 1.00 0.00 O ATOM 789 CB GLN A 48 10.375 -6.936 6.459 1.00 0.00 C ATOM 790 CG GLN A 48 11.646 -7.454 7.104 1.00 0.00 C ATOM 791 CD GLN A 48 11.749 -8.969 7.049 1.00 0.00 C ATOM 792 OE1 GLN A 48 11.242 -9.605 6.128 1.00 0.00 O ATOM 793 NE2 GLN A 48 12.397 -9.553 8.033 1.00 0.00 N ATOM 0 H GLN A 48 8.168 -6.448 5.527 1.00 0.00 H new ATOM 0 HA GLN A 48 9.143 -8.574 7.090 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.389 -7.189 5.399 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.363 -5.848 6.527 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.509 -7.016 6.603 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.681 -7.128 8.143 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.804 -8.991 8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.492 -10.568 8.049 1.00 0.00 H new ATOM 802 N LEU A 49 8.268 -5.880 8.709 1.00 0.00 N ATOM 803 CA LEU A 49 8.048 -5.328 10.040 1.00 0.00 C ATOM 804 C LEU A 49 7.237 -6.297 10.886 1.00 0.00 C ATOM 805 O LEU A 49 7.548 -6.530 12.050 1.00 0.00 O ATOM 806 CB LEU A 49 7.318 -3.985 9.955 1.00 0.00 C ATOM 807 CG LEU A 49 8.054 -2.870 9.214 1.00 0.00 C ATOM 808 CD1 LEU A 49 7.237 -1.591 9.229 1.00 0.00 C ATOM 809 CD2 LEU A 49 9.420 -2.635 9.826 1.00 0.00 C ATOM 0 H LEU A 49 7.861 -5.330 7.952 1.00 0.00 H new ATOM 0 HA LEU A 49 9.020 -5.171 10.507 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.357 -4.146 9.467 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.107 -3.643 10.968 1.00 0.00 H new ATOM 0 HG LEU A 49 8.191 -3.179 8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.777 -0.808 8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.278 -1.766 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.068 -1.279 10.260 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.929 -1.837 9.285 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.306 -2.349 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.009 -3.550 9.763 1.00 0.00 H new ATOM 821 N PHE A 50 6.206 -6.871 10.286 1.00 0.00 N ATOM 822 CA PHE A 50 5.354 -7.830 10.978 1.00 0.00 C ATOM 823 C PHE A 50 6.082 -9.153 11.157 1.00 0.00 C ATOM 824 O PHE A 50 5.875 -9.863 12.139 1.00 0.00 O ATOM 825 CB PHE A 50 4.055 -8.067 10.200 1.00 0.00 C ATOM 826 CG PHE A 50 3.206 -6.841 10.023 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.241 -6.124 8.842 1.00 0.00 C ATOM 828 CD2 PHE A 50 2.370 -6.410 11.038 1.00 0.00 C ATOM 829 CE1 PHE A 50 2.459 -5.002 8.674 1.00 0.00 C ATOM 830 CE2 PHE A 50 1.585 -5.285 10.878 1.00 0.00 C ATOM 831 CZ PHE A 50 1.630 -4.580 9.695 1.00 0.00 C ATOM 0 H PHE A 50 5.937 -6.690 9.319 1.00 0.00 H new ATOM 0 HA PHE A 50 5.110 -7.415 11.956 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.302 -8.468 9.217 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.470 -8.828 10.717 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.889 -6.447 8.041 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.331 -6.960 11.967 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.494 -4.453 7.745 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.937 -4.959 11.678 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.018 -3.699 9.566 1.00 0.00 H new ATOM 841 N ASP A 51 6.941 -9.470 10.207 1.00 0.00 N ATOM 842 CA ASP A 51 7.666 -10.733 10.216 1.00 0.00 C ATOM 843 C ASP A 51 8.787 -10.734 11.255 1.00 0.00 C ATOM 844 O ASP A 51 8.964 -11.711 11.988 1.00 0.00 O ATOM 845 CB ASP A 51 8.255 -10.990 8.824 1.00 0.00 C ATOM 846 CG ASP A 51 8.870 -12.368 8.678 1.00 0.00 C ATOM 847 OD1 ASP A 51 10.014 -12.568 9.122 1.00 0.00 O ATOM 848 OD2 ASP A 51 8.209 -13.254 8.096 1.00 0.00 O1- ATOM 0 H ASP A 51 7.157 -8.868 9.413 1.00 0.00 H new ATOM 0 HA ASP A 51 6.965 -11.524 10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.470 -10.869 8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.014 -10.237 8.614 1.00 0.00 H new ATOM 853 N ASN A 52 9.513 -9.630 11.342 1.00 0.00 N ATOM 854 CA ASN A 52 10.648 -9.527 12.262 1.00 0.00 C ATOM 855 C ASN A 52 10.206 -9.181 13.680 1.00 0.00 C ATOM 856 O ASN A 52 10.616 -9.830 14.644 1.00 0.00 O ATOM 857 CB ASN A 52 11.636 -8.461 11.757 1.00 0.00 C ATOM 858 CG ASN A 52 12.814 -8.224 12.701 1.00 0.00 C ATOM 859 OD1 ASN A 52 13.289 -7.095 12.844 1.00 0.00 O ATOM 860 ND2 ASN A 52 13.315 -9.277 13.318 1.00 0.00 N ATOM 0 H ASN A 52 9.341 -8.790 10.789 1.00 0.00 H new ATOM 0 HA ASN A 52 11.133 -10.502 12.292 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.018 -8.764 10.782 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.102 -7.522 11.613 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.120 -9.171 13.936 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.898 -10.197 13.177 1.00 0.00 H new ATOM 867 N ARG A 53 9.358 -8.176 13.800 1.00 0.00 N ATOM 868 CA ARG A 53 8.921 -7.700 15.108 1.00 0.00 C ATOM 869 C ARG A 53 7.881 -8.617 15.739 1.00 0.00 C ATOM 870 O ARG A 53 7.795 -8.698 16.970 1.00 0.00 O ATOM 871 CB ARG A 53 8.363 -6.278 15.005 1.00 0.00 C ATOM 872 CG ARG A 53 7.817 -5.738 16.316 1.00 0.00 C ATOM 873 CD ARG A 53 7.066 -4.442 16.112 1.00 0.00 C ATOM 874 NE ARG A 53 6.388 -4.009 17.332 1.00 0.00 N ATOM 875 CZ ARG A 53 5.101 -4.249 17.601 1.00 0.00 C ATOM 876 NH1 ARG A 53 4.376 -4.987 16.768 1.00 0.00 N ATOM 877 NH2 ARG A 53 4.553 -3.771 18.711 1.00 0.00 N ATOM 0 H ARG A 53 8.956 -7.671 13.010 1.00 0.00 H new ATOM 0 HA ARG A 53 9.799 -7.701 15.754 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.150 -5.614 14.649 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.570 -6.262 14.258 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.154 -6.477 16.767 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.638 -5.578 17.015 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.760 -3.667 15.788 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.334 -4.568 15.315 1.00 0.00 H new ATOM 0 HE ARG A 53 6.932 -3.491 18.022 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.802 -5.370 15.924 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.394 -5.171 16.972 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.114 -3.220 19.360 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.571 -3.955 18.915 1.00 0.00 H new ATOM 891 N GLN A 54 7.098 -9.302 14.892 1.00 0.00 N ATOM 892 CA GLN A 54 5.982 -10.146 15.341 1.00 0.00 C ATOM 893 C GLN A 54 4.821 -9.243 15.781 1.00 0.00 C ATOM 894 O GLN A 54 5.027 -8.241 16.478 1.00 0.00 O ATOM 895 CB GLN A 54 6.430 -11.124 16.459 1.00 0.00 C ATOM 896 CG GLN A 54 5.394 -12.163 16.862 1.00 0.00 C ATOM 897 CD GLN A 54 4.449 -11.681 17.943 1.00 0.00 C ATOM 898 OE1 GLN A 54 4.820 -10.880 18.804 1.00 0.00 O ATOM 899 NE2 GLN A 54 3.228 -12.153 17.902 1.00 0.00 N ATOM 0 H GLN A 54 7.221 -9.286 13.880 1.00 0.00 H new ATOM 0 HA GLN A 54 5.639 -10.771 14.517 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.331 -11.641 16.128 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.701 -10.543 17.341 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.815 -12.448 15.984 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.906 -13.060 17.211 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.961 -12.814 17.173 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.544 -11.859 18.599 1.00 0.00 H new ATOM 908 N GLU A 55 3.618 -9.572 15.363 1.00 0.00 N ATOM 909 CA GLU A 55 2.478 -8.713 15.631 1.00 0.00 C ATOM 910 C GLU A 55 1.382 -9.467 16.369 1.00 0.00 C ATOM 911 O GLU A 55 1.332 -10.693 16.328 1.00 0.00 O ATOM 912 CB GLU A 55 1.939 -8.157 14.309 1.00 0.00 C ATOM 913 CG GLU A 55 1.090 -6.907 14.458 1.00 0.00 C ATOM 914 CD GLU A 55 1.877 -5.751 15.029 1.00 0.00 C ATOM 915 OE1 GLU A 55 1.820 -5.540 16.262 1.00 0.00 O ATOM 916 OE2 GLU A 55 2.575 -5.056 14.253 1.00 0.00 O1- ATOM 0 H GLU A 55 3.402 -10.421 14.840 1.00 0.00 H new ATOM 0 HA GLU A 55 2.804 -7.891 16.269 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.780 -7.935 13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.346 -8.929 13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.687 -6.625 13.485 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.240 -7.122 15.106 1.00 0.00 H new ATOM 923 N ALA A 56 0.515 -8.723 17.052 1.00 0.00 N ATOM 924 CA ALA A 56 -0.609 -9.310 17.766 1.00 0.00 C ATOM 925 C ALA A 56 -1.473 -10.105 16.798 1.00 0.00 C ATOM 926 O ALA A 56 -2.059 -9.538 15.874 1.00 0.00 O ATOM 927 CB ALA A 56 -1.429 -8.219 18.444 1.00 0.00 C ATOM 0 H ALA A 56 0.573 -7.707 17.124 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.233 -9.984 18.536 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.267 -8.671 18.975 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.800 -7.678 19.151 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.807 -7.527 17.691 1.00 0.00 H new ATOM 933 N ALA A 57 -1.534 -11.422 17.017 1.00 0.00 N ATOM 934 CA ALA A 57 -2.237 -12.338 16.126 1.00 0.00 C ATOM 935 C ALA A 57 -1.589 -12.314 14.748 1.00 0.00 C ATOM 936 O ALA A 57 -2.116 -11.720 13.804 1.00 0.00 O ATOM 937 CB ALA A 57 -3.732 -12.016 16.043 1.00 0.00 C ATOM 0 H ALA A 57 -1.097 -11.879 17.817 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.156 -13.345 16.536 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.219 -12.721 15.369 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.177 -12.095 17.035 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.865 -11.002 15.665 1.00 0.00 H new ATOM 943 N ASP A 58 -0.441 -12.974 14.645 1.00 0.00 N ATOM 944 CA ASP A 58 0.352 -12.986 13.415 1.00 0.00 C ATOM 945 C ASP A 58 -0.434 -13.567 12.265 1.00 0.00 C ATOM 946 O ASP A 58 -0.403 -13.039 11.160 1.00 0.00 O ATOM 947 CB ASP A 58 1.641 -13.800 13.597 1.00 0.00 C ATOM 948 CG ASP A 58 2.589 -13.219 14.620 1.00 0.00 C ATOM 949 OD1 ASP A 58 3.359 -12.298 14.271 1.00 0.00 O ATOM 950 OD2 ASP A 58 2.599 -13.712 15.774 1.00 0.00 O1- ATOM 0 H ASP A 58 -0.032 -13.515 15.407 1.00 0.00 H new ATOM 0 HA ASP A 58 0.607 -11.950 13.190 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.379 -14.816 13.893 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.154 -13.870 12.638 1.00 0.00 H new ATOM 955 N THR A 59 -1.154 -14.644 12.532 1.00 0.00 N ATOM 956 CA THR A 59 -1.940 -15.299 11.503 1.00 0.00 C ATOM 957 C THR A 59 -2.975 -14.336 10.896 1.00 0.00 C ATOM 958 O THR A 59 -3.155 -14.293 9.673 1.00 0.00 O ATOM 959 CB THR A 59 -2.637 -16.583 12.049 1.00 0.00 C ATOM 960 OG1 THR A 59 -3.437 -17.188 11.029 1.00 0.00 O ATOM 961 CG2 THR A 59 -3.509 -16.273 13.260 1.00 0.00 C ATOM 0 H THR A 59 -1.210 -15.082 13.452 1.00 0.00 H new ATOM 0 HA THR A 59 -1.253 -15.601 10.713 1.00 0.00 H new ATOM 0 HB THR A 59 -1.853 -17.275 12.357 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.867 -17.993 11.385 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.979 -17.190 13.614 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.893 -15.851 14.054 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.280 -15.555 12.979 1.00 0.00 H new ATOM 969 N GLU A 60 -3.628 -13.552 11.749 1.00 0.00 N ATOM 970 CA GLU A 60 -4.626 -12.605 11.297 1.00 0.00 C ATOM 971 C GLU A 60 -3.971 -11.398 10.633 1.00 0.00 C ATOM 972 O GLU A 60 -4.394 -10.963 9.565 1.00 0.00 O ATOM 973 CB GLU A 60 -5.518 -12.163 12.457 1.00 0.00 C ATOM 974 CG GLU A 60 -6.721 -11.342 12.023 1.00 0.00 C ATOM 975 CD GLU A 60 -7.649 -11.024 13.169 1.00 0.00 C ATOM 976 OE1 GLU A 60 -8.054 -11.962 13.887 1.00 0.00 O ATOM 977 OE2 GLU A 60 -7.996 -9.840 13.349 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.479 -13.559 12.758 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.250 -13.103 10.555 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.866 -13.046 12.993 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.924 -11.578 13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.377 -10.412 11.570 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.271 -11.887 11.255 1.00 0.00 H new ATOM 984 N ALA A 61 -2.916 -10.878 11.261 1.00 0.00 N ATOM 985 CA ALA A 61 -2.209 -9.707 10.748 1.00 0.00 C ATOM 986 C ALA A 61 -1.591 -9.996 9.388 1.00 0.00 C ATOM 987 O ALA A 61 -1.602 -9.147 8.492 1.00 0.00 O ATOM 988 CB ALA A 61 -1.138 -9.259 11.732 1.00 0.00 C ATOM 0 H ALA A 61 -2.532 -11.252 12.129 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.933 -8.901 10.628 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.621 -8.386 11.334 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.603 -9.003 12.684 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.422 -10.067 11.883 1.00 0.00 H new ATOM 994 N ALA A 62 -1.066 -11.200 9.233 1.00 0.00 N ATOM 995 CA ALA A 62 -0.484 -11.618 7.974 1.00 0.00 C ATOM 996 C ALA A 62 -1.554 -11.694 6.899 1.00 0.00 C ATOM 997 O ALA A 62 -1.308 -11.352 5.740 1.00 0.00 O ATOM 998 CB ALA A 62 0.216 -12.960 8.126 1.00 0.00 C ATOM 0 H ALA A 62 -1.032 -11.906 9.968 1.00 0.00 H new ATOM 0 HA ALA A 62 0.258 -10.878 7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.646 -13.256 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.008 -12.875 8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.505 -13.712 8.448 1.00 0.00 H new ATOM 1004 N LYS A 63 -2.750 -12.125 7.289 1.00 0.00 N ATOM 1005 CA LYS A 63 -3.855 -12.235 6.355 1.00 0.00 C ATOM 1006 C LYS A 63 -4.360 -10.846 5.973 1.00 0.00 C ATOM 1007 O LYS A 63 -4.831 -10.637 4.859 1.00 0.00 O ATOM 1008 CB LYS A 63 -4.990 -13.081 6.938 1.00 0.00 C ATOM 1009 CG LYS A 63 -5.941 -13.644 5.884 1.00 0.00 C ATOM 1010 CD LYS A 63 -5.220 -14.624 4.959 1.00 0.00 C ATOM 1011 CE LYS A 63 -6.166 -15.264 3.948 1.00 0.00 C ATOM 1012 NZ LYS A 63 -6.709 -14.278 2.981 1.00 0.00 N ATOM 0 H LYS A 63 -2.974 -12.402 8.245 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.495 -12.737 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.561 -13.907 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.560 -12.473 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.774 -14.148 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.362 -12.828 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.424 -14.102 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.747 -15.404 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.638 -16.048 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.990 -15.742 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.236 -14.777 2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.346 -13.622 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.926 -13.744 2.553 1.00 0.00 H new ATOM 1026 N GLN A 64 -4.242 -9.893 6.904 1.00 0.00 N ATOM 1027 CA GLN A 64 -4.625 -8.508 6.632 1.00 0.00 C ATOM 1028 C GLN A 64 -3.739 -7.959 5.528 1.00 0.00 C ATOM 1029 O GLN A 64 -4.208 -7.289 4.607 1.00 0.00 O ATOM 1030 CB GLN A 64 -4.472 -7.638 7.890 1.00 0.00 C ATOM 1031 CG GLN A 64 -5.318 -8.084 9.072 1.00 0.00 C ATOM 1032 CD GLN A 64 -6.805 -8.004 8.801 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -7.267 -7.156 8.037 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -7.562 -8.878 9.430 1.00 0.00 N ATOM 0 H GLN A 64 -3.886 -10.056 7.846 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.671 -8.486 6.325 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.424 -7.636 8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.734 -6.610 7.639 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.057 -9.110 9.332 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.078 -7.465 9.937 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.138 -9.564 10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.573 -8.869 9.293 1.00 0.00 H new ATOM 1043 N GLY A 65 -2.449 -8.269 5.624 1.00 0.00 N ATOM 1044 CA GLY A 65 -1.511 -7.872 4.599 1.00 0.00 C ATOM 1045 C GLY A 65 -1.799 -8.583 3.298 1.00 0.00 C ATOM 1046 O GLY A 65 -1.646 -8.015 2.224 1.00 0.00 O ATOM 0 H GLY A 65 -2.039 -8.791 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.566 -6.794 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.495 -8.097 4.924 1.00 0.00 H new ATOM 1050 N ASP A 66 -2.227 -9.834 3.406 1.00 0.00 N ATOM 1051 CA ASP A 66 -2.589 -10.642 2.244 1.00 0.00 C ATOM 1052 C ASP A 66 -3.757 -10.013 1.489 1.00 0.00 C ATOM 1053 O ASP A 66 -3.761 -9.964 0.259 1.00 0.00 O ATOM 1054 CB ASP A 66 -2.958 -12.056 2.685 1.00 0.00 C ATOM 1055 CG ASP A 66 -3.545 -12.881 1.567 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -2.773 -13.335 0.695 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -4.782 -13.088 1.562 1.00 0.00 O1- ATOM 0 H ASP A 66 -2.334 -10.318 4.298 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.729 -10.686 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.069 -12.555 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.674 -12.001 3.505 1.00 0.00 H new ATOM 1062 N GLN A 67 -4.736 -9.515 2.238 1.00 0.00 N ATOM 1063 CA GLN A 67 -5.895 -8.854 1.649 1.00 0.00 C ATOM 1064 C GLN A 67 -5.457 -7.580 0.955 1.00 0.00 C ATOM 1065 O GLN A 67 -6.000 -7.198 -0.083 1.00 0.00 O ATOM 1066 CB GLN A 67 -6.934 -8.539 2.728 1.00 0.00 C ATOM 1067 CG GLN A 67 -7.455 -9.771 3.448 1.00 0.00 C ATOM 1068 CD GLN A 67 -8.207 -10.706 2.526 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -9.424 -10.611 2.391 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -7.490 -11.604 1.877 1.00 0.00 N ATOM 0 H GLN A 67 -4.749 -9.557 3.257 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.350 -9.521 0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.493 -7.861 3.458 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.773 -8.014 2.271 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.619 -10.305 3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.112 -9.462 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.481 -11.649 2.018 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.945 -12.253 1.235 1.00 0.00 H new ATOM 1079 N TRP A 68 -4.455 -6.942 1.530 1.00 0.00 N ATOM 1080 CA TRP A 68 -3.888 -5.743 0.975 1.00 0.00 C ATOM 1081 C TRP A 68 -3.176 -6.065 -0.340 1.00 0.00 C ATOM 1082 O TRP A 68 -3.289 -5.323 -1.319 1.00 0.00 O ATOM 1083 CB TRP A 68 -2.928 -5.125 1.990 1.00 0.00 C ATOM 1084 CG TRP A 68 -2.125 -3.994 1.461 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.791 -3.995 1.218 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -2.600 -2.697 1.103 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.400 -2.775 0.737 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -1.492 -1.961 0.655 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -3.854 -2.085 1.118 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -1.596 -0.649 0.227 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -3.957 -0.779 0.691 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -2.833 -0.074 0.251 1.00 0.00 C ATOM 0 H TRP A 68 -4.015 -7.248 2.398 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.676 -5.022 0.760 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -3.501 -4.778 2.850 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -2.251 -5.899 2.350 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -0.133 -4.836 1.380 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.553 -2.516 0.481 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -4.726 -2.624 1.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.730 -0.101 -0.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -4.921 -0.292 0.696 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.946 0.949 -0.077 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.457 -7.187 -0.360 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.772 -7.635 -1.565 1.00 0.00 C ATOM 1105 C VAL A 69 -2.784 -7.944 -2.666 1.00 0.00 C ATOM 1106 O VAL A 69 -2.564 -7.617 -3.829 1.00 0.00 O ATOM 1107 CB VAL A 69 -0.890 -8.886 -1.299 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -0.238 -9.376 -2.588 1.00 0.00 C ATOM 1109 CG2 VAL A 69 0.174 -8.576 -0.256 1.00 0.00 C ATOM 0 H VAL A 69 -2.336 -7.800 0.446 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.118 -6.825 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.534 -9.678 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.374 -10.252 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.011 -9.640 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.390 -8.586 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.783 -9.463 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.809 -7.765 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.306 -8.277 0.676 1.00 0.00 H new ATOM 1119 N GLN A 70 -3.907 -8.557 -2.284 1.00 0.00 N ATOM 1120 CA GLN A 70 -4.967 -8.867 -3.240 1.00 0.00 C ATOM 1121 C GLN A 70 -5.530 -7.589 -3.835 1.00 0.00 C ATOM 1122 O GLN A 70 -5.763 -7.507 -5.034 1.00 0.00 O ATOM 1123 CB GLN A 70 -6.094 -9.659 -2.580 1.00 0.00 C ATOM 1124 CG GLN A 70 -5.713 -11.067 -2.163 1.00 0.00 C ATOM 1125 CD GLN A 70 -6.897 -11.839 -1.621 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -7.820 -11.262 -1.042 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -6.887 -13.144 -1.810 1.00 0.00 N ATOM 0 H GLN A 70 -4.103 -8.846 -1.326 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.531 -9.477 -4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.438 -9.114 -1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.936 -9.713 -3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.295 -11.598 -3.019 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.932 -11.021 -1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.104 -13.583 -2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.662 -13.714 -1.472 1.00 0.00 H new ATOM 1136 N LEU A 71 -5.737 -6.589 -2.986 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.242 -5.311 -3.408 1.00 0.00 C ATOM 1138 C LEU A 71 -5.261 -4.660 -4.390 1.00 0.00 C ATOM 1139 O LEU A 71 -5.660 -4.144 -5.435 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.430 -4.443 -2.160 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.300 -3.191 -2.280 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -6.604 -2.087 -3.062 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -8.652 -3.516 -2.896 1.00 0.00 C ATOM 0 H LEU A 71 -5.555 -6.653 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.197 -5.423 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.855 -5.071 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.443 -4.132 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.465 -2.822 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.257 -1.217 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.678 -1.811 -2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.377 -2.441 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.247 -2.606 -2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.507 -3.934 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.172 -4.241 -2.270 1.00 0.00 H new ATOM 1155 N PHE A 72 -3.981 -4.715 -4.052 1.00 0.00 N ATOM 1156 CA PHE A 72 -2.938 -4.129 -4.881 1.00 0.00 C ATOM 1157 C PHE A 72 -2.812 -4.875 -6.216 1.00 0.00 C ATOM 1158 O PHE A 72 -2.665 -4.255 -7.274 1.00 0.00 O ATOM 1159 CB PHE A 72 -1.605 -4.138 -4.128 1.00 0.00 C ATOM 1160 CG PHE A 72 -0.520 -3.356 -4.807 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -0.639 -1.987 -4.972 1.00 0.00 C ATOM 1162 CD2 PHE A 72 0.621 -3.987 -5.272 1.00 0.00 C ATOM 1163 CE1 PHE A 72 0.358 -1.262 -5.589 1.00 0.00 C ATOM 1164 CE2 PHE A 72 1.620 -3.266 -5.891 1.00 0.00 C ATOM 1165 CZ PHE A 72 1.489 -1.903 -6.050 1.00 0.00 C ATOM 0 H PHE A 72 -3.638 -5.163 -3.202 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.210 -3.097 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.761 -3.733 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.274 -5.169 -4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.523 -1.481 -4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.730 -5.054 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.254 -0.194 -5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.505 -3.769 -6.251 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.271 -1.338 -6.535 1.00 0.00 H new ATOM 1175 N GLN A 73 -2.877 -6.200 -6.160 1.00 0.00 N ATOM 1176 CA GLN A 73 -2.809 -7.024 -7.365 1.00 0.00 C ATOM 1177 C GLN A 73 -4.018 -6.753 -8.246 1.00 0.00 C ATOM 1178 O GLN A 73 -3.896 -6.598 -9.461 1.00 0.00 O ATOM 1179 CB GLN A 73 -2.755 -8.508 -7.000 1.00 0.00 C ATOM 1180 CG GLN A 73 -2.647 -9.429 -8.205 1.00 0.00 C ATOM 1181 CD GLN A 73 -2.701 -10.892 -7.830 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -2.289 -11.287 -6.737 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -3.206 -11.709 -8.731 1.00 0.00 N ATOM 0 H GLN A 73 -2.977 -6.729 -5.293 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.901 -6.767 -7.910 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.902 -8.681 -6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.650 -8.767 -6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.456 -9.207 -8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.713 -9.227 -8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.536 -11.342 -9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.267 -12.708 -8.536 1.00 0.00 H new ATOM 1192 N ARG A 74 -5.181 -6.680 -7.613 1.00 0.00 N ATOM 1193 CA ARG A 74 -6.433 -6.398 -8.297 1.00 0.00 C ATOM 1194 C ARG A 74 -6.351 -5.050 -9.001 1.00 0.00 C ATOM 1195 O ARG A 74 -6.879 -4.874 -10.101 1.00 0.00 O ATOM 1196 CB ARG A 74 -7.573 -6.401 -7.281 1.00 0.00 C ATOM 1197 CG ARG A 74 -8.955 -6.167 -7.858 1.00 0.00 C ATOM 1198 CD ARG A 74 -10.010 -6.295 -6.774 1.00 0.00 C ATOM 1199 NE ARG A 74 -9.996 -7.629 -6.163 1.00 0.00 N ATOM 1200 CZ ARG A 74 -10.027 -7.876 -4.848 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -10.097 -6.877 -3.971 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -9.989 -9.127 -4.411 1.00 0.00 N ATOM 0 H ARG A 74 -5.282 -6.815 -6.607 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.620 -7.166 -9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.572 -7.359 -6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.374 -5.632 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.005 -5.175 -8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.151 -6.887 -8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.838 -5.541 -6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.995 -6.099 -7.198 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.960 -8.432 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.128 -5.912 -4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.120 -7.077 -2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.936 -9.898 -5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.012 -9.318 -3.409 1.00 0.00 H new ATOM 1216 N PHE A 75 -5.673 -4.106 -8.361 1.00 0.00 N ATOM 1217 CA PHE A 75 -5.474 -2.787 -8.925 1.00 0.00 C ATOM 1218 C PHE A 75 -4.639 -2.899 -10.205 1.00 0.00 C ATOM 1219 O PHE A 75 -4.955 -2.284 -11.222 1.00 0.00 O ATOM 1220 CB PHE A 75 -4.783 -1.876 -7.897 1.00 0.00 C ATOM 1221 CG PHE A 75 -4.649 -0.441 -8.327 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -5.725 0.426 -8.220 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -3.451 0.044 -8.822 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -5.610 1.748 -8.603 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.330 1.366 -9.208 1.00 0.00 C ATOM 1226 CZ PHE A 75 -4.410 2.218 -9.098 1.00 0.00 C ATOM 0 H PHE A 75 -5.250 -4.236 -7.442 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.439 -2.346 -9.176 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.344 -1.912 -6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.790 -2.274 -7.687 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.665 0.063 -7.832 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.602 -0.617 -8.908 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.457 2.413 -8.515 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.391 1.732 -9.595 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.317 3.251 -9.399 1.00 0.00 H new ATOM 1236 N ARG A 76 -3.586 -3.718 -10.150 1.00 0.00 N ATOM 1237 CA ARG A 76 -2.731 -3.956 -11.313 1.00 0.00 C ATOM 1238 C ARG A 76 -3.517 -4.616 -12.442 1.00 0.00 C ATOM 1239 O ARG A 76 -3.380 -4.241 -13.605 1.00 0.00 O ATOM 1240 CB ARG A 76 -1.529 -4.834 -10.948 1.00 0.00 C ATOM 1241 CG ARG A 76 -0.367 -4.089 -10.310 1.00 0.00 C ATOM 1242 CD ARG A 76 0.781 -5.042 -10.006 1.00 0.00 C ATOM 1243 NE ARG A 76 2.009 -4.341 -9.611 1.00 0.00 N ATOM 1244 CZ ARG A 76 2.823 -4.752 -8.636 1.00 0.00 C ATOM 1245 NH1 ARG A 76 2.529 -5.832 -7.927 1.00 0.00 N ATOM 1246 NH2 ARG A 76 3.934 -4.080 -8.371 1.00 0.00 N ATOM 0 H ARG A 76 -3.306 -4.227 -9.312 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.368 -2.985 -11.651 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.861 -5.615 -10.264 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.172 -5.331 -11.850 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.024 -3.300 -10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.699 -3.606 -9.391 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.482 -5.721 -9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.983 -5.653 -10.886 1.00 0.00 H new ATOM 0 HE ARG A 76 2.255 -3.488 -10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.676 -6.355 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.156 -6.140 -7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.168 -3.248 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.555 -4.395 -7.626 1.00 0.00 H new ATOM 1260 N GLU A 77 -4.339 -5.599 -12.088 1.00 0.00 N ATOM 1261 CA GLU A 77 -5.148 -6.317 -13.067 1.00 0.00 C ATOM 1262 C GLU A 77 -6.142 -5.384 -13.752 1.00 0.00 C ATOM 1263 O GLU A 77 -6.368 -5.481 -14.959 1.00 0.00 O ATOM 1264 CB GLU A 77 -5.878 -7.490 -12.416 1.00 0.00 C ATOM 1265 CG GLU A 77 -4.946 -8.544 -11.841 1.00 0.00 C ATOM 1266 CD GLU A 77 -5.684 -9.771 -11.358 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -6.069 -9.813 -10.176 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -5.881 -10.703 -12.168 1.00 0.00 O1- ATOM 0 H GLU A 77 -4.463 -5.917 -11.127 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.474 -6.711 -13.827 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.519 -7.111 -11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.529 -7.957 -13.155 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.221 -8.836 -12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.383 -8.113 -11.013 1.00 0.00 H new ATOM 1275 N ALA A 78 -6.728 -4.477 -12.982 1.00 0.00 N ATOM 1276 CA ALA A 78 -7.661 -3.509 -13.530 1.00 0.00 C ATOM 1277 C ALA A 78 -6.953 -2.583 -14.522 1.00 0.00 C ATOM 1278 O ALA A 78 -7.529 -2.188 -15.537 1.00 0.00 O ATOM 1279 CB ALA A 78 -8.324 -2.716 -12.418 1.00 0.00 C ATOM 0 H ALA A 78 -6.572 -4.393 -11.977 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.441 -4.047 -14.069 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.019 -1.996 -12.849 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.866 -3.395 -11.760 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.563 -2.187 -11.845 1.00 0.00 H new ATOM 1285 N ILE A 79 -5.694 -2.250 -14.225 1.00 0.00 N ATOM 1286 CA ILE A 79 -4.880 -1.437 -15.131 1.00 0.00 C ATOM 1287 C ILE A 79 -4.559 -2.238 -16.389 1.00 0.00 C ATOM 1288 O ILE A 79 -4.525 -1.701 -17.497 1.00 0.00 O ATOM 1289 CB ILE A 79 -3.551 -0.982 -14.465 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -3.834 -0.128 -13.227 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -2.683 -0.208 -15.458 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -2.588 0.332 -12.503 1.00 0.00 C ATOM 0 H ILE A 79 -5.218 -2.530 -13.367 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.456 -0.546 -15.383 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.006 -1.873 -14.155 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.413 0.746 -13.525 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.453 -0.700 -12.536 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.758 0.100 -14.970 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.448 -0.846 -16.310 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.223 0.674 -15.803 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.870 0.931 -11.638 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.018 -0.536 -12.173 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.977 0.933 -13.176 1.00 0.00 H new ATOM 1304 N ASP A 80 -4.333 -3.532 -16.205 1.00 0.00 N ATOM 1305 CA ASP A 80 -4.050 -4.437 -17.315 1.00 0.00 C ATOM 1306 C ASP A 80 -5.248 -4.520 -18.255 1.00 0.00 C ATOM 1307 O ASP A 80 -5.096 -4.640 -19.470 1.00 0.00 O ATOM 1308 CB ASP A 80 -3.681 -5.827 -16.788 1.00 0.00 C ATOM 1309 CG ASP A 80 -3.498 -6.845 -17.892 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -2.573 -6.677 -18.717 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -4.270 -7.827 -17.932 1.00 0.00 O1- ATOM 0 H ASP A 80 -4.340 -3.983 -15.290 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.202 -4.044 -17.876 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.761 -5.758 -16.208 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.461 -6.171 -16.109 1.00 0.00 H new ATOM 1316 N LYS A 81 -6.439 -4.442 -17.678 1.00 0.00 N ATOM 1317 CA LYS A 81 -7.670 -4.450 -18.440 1.00 0.00 C ATOM 1318 C LYS A 81 -7.954 -3.048 -19.000 1.00 0.00 C ATOM 1319 O LYS A 81 -8.792 -2.875 -19.889 1.00 0.00 O ATOM 1320 CB LYS A 81 -8.817 -4.893 -17.523 1.00 0.00 C ATOM 1321 CG LYS A 81 -10.175 -4.976 -18.194 1.00 0.00 C ATOM 1322 CD LYS A 81 -11.261 -5.259 -17.175 1.00 0.00 C ATOM 1323 CE LYS A 81 -12.640 -5.356 -17.824 1.00 0.00 C ATOM 1324 NZ LYS A 81 -13.047 -4.088 -18.488 1.00 0.00 N ATOM 0 H LYS A 81 -6.574 -4.372 -16.669 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.579 -5.143 -19.276 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.573 -5.870 -17.107 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.883 -4.198 -16.686 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.389 -4.040 -18.710 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.165 -5.761 -18.950 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.038 -6.191 -16.656 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.268 -4.470 -16.423 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.637 -6.162 -18.558 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.378 -5.618 -17.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.053 -4.140 -18.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.899 -3.292 -17.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -12.475 -3.945 -19.344 1.00 0.00 H new ATOM 1338 N GLY A 82 -7.235 -2.056 -18.486 1.00 0.00 N ATOM 1339 CA GLY A 82 -7.447 -0.685 -18.908 1.00 0.00 C ATOM 1340 C GLY A 82 -8.786 -0.172 -18.436 1.00 0.00 C ATOM 1341 O GLY A 82 -9.425 0.642 -19.101 1.00 0.00 O ATOM 0 H GLY A 82 -6.507 -2.178 -17.782 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.652 -0.053 -18.513 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.393 -0.623 -19.995 1.00 0.00 H new ATOM 1345 N ASP A 83 -9.215 -0.661 -17.286 1.00 0.00 N ATOM 1346 CA ASP A 83 -10.516 -0.321 -16.747 1.00 0.00 C ATOM 1347 C ASP A 83 -10.392 0.728 -15.648 1.00 0.00 C ATOM 1348 O ASP A 83 -10.212 0.395 -14.474 1.00 0.00 O ATOM 1349 CB ASP A 83 -11.194 -1.579 -16.203 1.00 0.00 C ATOM 1350 CG ASP A 83 -12.684 -1.419 -16.039 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -13.120 -0.776 -15.070 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -13.435 -1.955 -16.877 1.00 0.00 O1- ATOM 0 H ASP A 83 -8.674 -1.301 -16.704 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.125 0.099 -17.548 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.995 -2.413 -16.877 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.753 -1.835 -15.240 1.00 0.00 H new ATOM 1357 N LYS A 84 -10.472 1.992 -16.037 1.00 0.00 N ATOM 1358 CA LYS A 84 -10.361 3.099 -15.090 1.00 0.00 C ATOM 1359 C LYS A 84 -11.592 3.180 -14.203 1.00 0.00 C ATOM 1360 O LYS A 84 -11.532 3.683 -13.079 1.00 0.00 O ATOM 1361 CB LYS A 84 -10.134 4.432 -15.814 1.00 0.00 C ATOM 1362 CG LYS A 84 -8.823 4.496 -16.588 1.00 0.00 C ATOM 1363 CD LYS A 84 -8.501 5.918 -17.044 1.00 0.00 C ATOM 1364 CE LYS A 84 -9.539 6.454 -18.019 1.00 0.00 C ATOM 1365 NZ LYS A 84 -9.210 7.830 -18.475 1.00 0.00 N ATOM 0 H LYS A 84 -10.614 2.280 -17.005 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.493 2.905 -14.459 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.961 4.606 -16.503 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -10.153 5.240 -15.083 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.013 4.123 -15.961 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.882 3.840 -17.457 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.448 6.574 -16.175 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.519 5.933 -17.516 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.604 5.791 -18.882 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.519 6.454 -17.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.940 8.160 -19.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.173 8.468 -17.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.286 7.826 -18.952 1.00 0.00 H new ATOM 1379 N ASP A 85 -12.701 2.671 -14.716 1.00 0.00 N ATOM 1380 CA ASP A 85 -13.963 2.650 -13.984 1.00 0.00 C ATOM 1381 C ASP A 85 -13.805 1.876 -12.677 1.00 0.00 C ATOM 1382 O ASP A 85 -14.168 2.361 -11.603 1.00 0.00 O ATOM 1383 CB ASP A 85 -15.044 1.999 -14.856 1.00 0.00 C ATOM 1384 CG ASP A 85 -16.335 1.723 -14.115 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -17.168 2.639 -14.004 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -16.533 0.572 -13.663 1.00 0.00 O1- ATOM 0 H ASP A 85 -12.755 2.261 -15.649 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.257 3.672 -13.745 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.254 2.649 -15.705 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.659 1.062 -15.259 1.00 0.00 H new ATOM 1391 N SER A 86 -13.236 0.689 -12.773 1.00 0.00 N ATOM 1392 CA SER A 86 -12.991 -0.128 -11.605 1.00 0.00 C ATOM 1393 C SER A 86 -11.864 0.459 -10.759 1.00 0.00 C ATOM 1394 O SER A 86 -11.896 0.382 -9.533 1.00 0.00 O ATOM 1395 CB SER A 86 -12.677 -1.560 -12.018 1.00 0.00 C ATOM 1396 OG SER A 86 -13.708 -2.067 -12.854 1.00 0.00 O ATOM 0 H SER A 86 -12.935 0.270 -13.653 1.00 0.00 H new ATOM 0 HA SER A 86 -13.894 -0.139 -10.994 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.723 -1.594 -12.544 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.575 -2.188 -11.133 1.00 0.00 H new ATOM 0 HG SER A 86 -13.659 -1.635 -13.732 1.00 0.00 H new ATOM 1402 N LEU A 87 -10.878 1.064 -11.424 1.00 0.00 N ATOM 1403 CA LEU A 87 -9.744 1.674 -10.733 1.00 0.00 C ATOM 1404 C LEU A 87 -10.203 2.771 -9.776 1.00 0.00 C ATOM 1405 O LEU A 87 -9.712 2.865 -8.655 1.00 0.00 O ATOM 1406 CB LEU A 87 -8.727 2.234 -11.737 1.00 0.00 C ATOM 1407 CG LEU A 87 -7.935 1.188 -12.529 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -7.060 1.847 -13.581 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -7.087 0.359 -11.593 1.00 0.00 C ATOM 0 H LEU A 87 -10.843 1.144 -12.440 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.259 0.893 -10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.255 2.875 -12.443 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.022 2.867 -11.198 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.646 0.537 -13.038 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.509 1.082 -14.128 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.686 2.409 -14.274 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.356 2.524 -13.097 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.529 -0.381 -12.167 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.390 1.008 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.729 -0.149 -10.874 1.00 0.00 H new ATOM 1421 N GLU A 88 -11.157 3.581 -10.215 1.00 0.00 N ATOM 1422 CA GLU A 88 -11.693 4.652 -9.380 1.00 0.00 C ATOM 1423 C GLU A 88 -12.369 4.079 -8.135 1.00 0.00 C ATOM 1424 O GLU A 88 -12.226 4.615 -7.028 1.00 0.00 O ATOM 1425 CB GLU A 88 -12.683 5.506 -10.170 1.00 0.00 C ATOM 1426 CG GLU A 88 -13.323 6.613 -9.350 1.00 0.00 C ATOM 1427 CD GLU A 88 -14.270 7.460 -10.155 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -13.868 8.557 -10.589 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -15.419 7.041 -10.364 1.00 0.00 O1- ATOM 0 H GLU A 88 -11.576 3.519 -11.143 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.862 5.283 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.168 5.949 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.467 4.862 -10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.861 6.173 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.542 7.247 -8.931 1.00 0.00 H new ATOM 1436 N GLN A 89 -13.091 2.983 -8.320 1.00 0.00 N ATOM 1437 CA GLN A 89 -13.780 2.320 -7.223 1.00 0.00 C ATOM 1438 C GLN A 89 -12.773 1.684 -6.271 1.00 0.00 C ATOM 1439 O GLN A 89 -12.971 1.665 -5.051 1.00 0.00 O ATOM 1440 CB GLN A 89 -14.750 1.263 -7.764 1.00 0.00 C ATOM 1441 CG GLN A 89 -15.820 1.832 -8.688 1.00 0.00 C ATOM 1442 CD GLN A 89 -16.679 2.878 -8.004 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -16.909 2.816 -6.800 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -17.151 3.845 -8.763 1.00 0.00 N ATOM 0 H GLN A 89 -13.215 2.532 -9.226 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.354 3.065 -6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.183 0.504 -8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.235 0.764 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -15.343 2.273 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -16.455 1.022 -9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -16.937 3.861 -9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -17.730 4.578 -8.354 1.00 0.00 H new ATOM 1453 N LEU A 90 -11.686 1.174 -6.838 1.00 0.00 N ATOM 1454 CA LEU A 90 -10.623 0.569 -6.054 1.00 0.00 C ATOM 1455 C LEU A 90 -9.882 1.624 -5.251 1.00 0.00 C ATOM 1456 O LEU A 90 -9.479 1.375 -4.125 1.00 0.00 O ATOM 1457 CB LEU A 90 -9.643 -0.196 -6.951 1.00 0.00 C ATOM 1458 CG LEU A 90 -10.212 -1.424 -7.670 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -9.153 -2.061 -8.553 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -10.747 -2.436 -6.665 1.00 0.00 C ATOM 0 H LEU A 90 -11.520 1.169 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.081 -0.140 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.254 0.492 -7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.797 -0.515 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.039 -1.098 -8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.574 -2.932 -9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.817 -1.339 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.306 -2.370 -7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.146 -3.300 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.940 -2.756 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.538 -1.977 -6.072 1.00 0.00 H new ATOM 1472 N LEU A 91 -9.716 2.811 -5.836 1.00 0.00 N ATOM 1473 CA LEU A 91 -9.026 3.914 -5.167 1.00 0.00 C ATOM 1474 C LEU A 91 -9.721 4.296 -3.870 1.00 0.00 C ATOM 1475 O LEU A 91 -9.066 4.646 -2.892 1.00 0.00 O ATOM 1476 CB LEU A 91 -8.929 5.136 -6.085 1.00 0.00 C ATOM 1477 CG LEU A 91 -8.004 4.994 -7.295 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -8.090 6.228 -8.174 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -6.568 4.762 -6.848 1.00 0.00 C ATOM 0 H LEU A 91 -10.051 3.033 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.019 3.570 -4.930 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.930 5.376 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.591 5.985 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.328 4.130 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.426 6.112 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.115 6.355 -8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.791 7.105 -7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.926 4.664 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.233 5.607 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.515 3.849 -6.254 1.00 0.00 H new ATOM 1491 N GLU A 92 -11.044 4.219 -3.862 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.813 4.540 -2.669 1.00 0.00 C ATOM 1493 C GLU A 92 -11.512 3.521 -1.566 1.00 0.00 C ATOM 1494 O GLU A 92 -11.272 3.883 -0.414 1.00 0.00 O ATOM 1495 CB GLU A 92 -13.307 4.537 -2.993 1.00 0.00 C ATOM 1496 CG GLU A 92 -14.184 5.059 -1.870 1.00 0.00 C ATOM 1497 CD GLU A 92 -13.979 6.533 -1.616 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -14.640 7.349 -2.291 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -13.160 6.888 -0.744 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.606 3.938 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.531 5.533 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.476 5.142 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.613 3.520 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -15.230 4.878 -2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.970 4.503 -0.957 1.00 0.00 H new ATOM 1506 N GLU A 93 -11.495 2.250 -1.946 1.00 0.00 N ATOM 1507 CA GLU A 93 -11.202 1.161 -1.019 1.00 0.00 C ATOM 1508 C GLU A 93 -9.749 1.260 -0.558 1.00 0.00 C ATOM 1509 O GLU A 93 -9.429 1.058 0.620 1.00 0.00 O ATOM 1510 CB GLU A 93 -11.426 -0.181 -1.725 1.00 0.00 C ATOM 1511 CG GLU A 93 -11.356 -1.391 -0.810 1.00 0.00 C ATOM 1512 CD GLU A 93 -12.557 -1.496 0.098 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -12.526 -0.930 1.208 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -13.544 -2.144 -0.300 1.00 0.00 O1- ATOM 0 H GLU A 93 -11.683 1.944 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.861 1.232 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.402 -0.164 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.680 -0.292 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.280 -2.296 -1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.451 -1.334 -0.206 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.892 1.590 -1.505 1.00 0.00 N ATOM 1522 CA LEU A 94 -7.465 1.730 -1.287 1.00 0.00 C ATOM 1523 C LEU A 94 -7.174 2.839 -0.277 1.00 0.00 C ATOM 1524 O LEU A 94 -6.381 2.663 0.647 1.00 0.00 O ATOM 1525 CB LEU A 94 -6.804 2.066 -2.627 1.00 0.00 C ATOM 1526 CG LEU A 94 -5.291 2.238 -2.629 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -4.602 0.905 -2.423 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -4.842 2.881 -3.929 1.00 0.00 C ATOM 0 H LEU A 94 -9.174 1.772 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.067 0.797 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.056 1.277 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.250 2.987 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.012 2.892 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.522 1.049 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.907 0.482 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.880 0.223 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.759 3.000 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.131 2.247 -4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.313 3.858 -4.033 1.00 0.00 H new ATOM 1540 N GLU A 95 -7.834 3.972 -0.457 1.00 0.00 N ATOM 1541 CA GLU A 95 -7.643 5.124 0.408 1.00 0.00 C ATOM 1542 C GLU A 95 -8.102 4.830 1.839 1.00 0.00 C ATOM 1543 O GLU A 95 -7.421 5.192 2.803 1.00 0.00 O ATOM 1544 CB GLU A 95 -8.372 6.335 -0.163 1.00 0.00 C ATOM 1545 CG GLU A 95 -8.074 7.633 0.557 1.00 0.00 C ATOM 1546 CD GLU A 95 -8.703 8.818 -0.126 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -7.990 9.526 -0.868 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -9.911 9.042 0.059 1.00 0.00 O1- ATOM 0 H GLU A 95 -8.514 4.118 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.577 5.347 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.103 6.445 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.446 6.150 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.439 7.570 1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.995 7.777 0.611 1.00 0.00 H new ATOM 1555 N GLN A 96 -9.252 4.166 1.973 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.768 3.799 3.291 1.00 0.00 C ATOM 1557 C GLN A 96 -8.814 2.832 3.977 1.00 0.00 C ATOM 1558 O GLN A 96 -8.607 2.895 5.190 1.00 0.00 O ATOM 1559 CB GLN A 96 -11.158 3.169 3.186 1.00 0.00 C ATOM 1560 CG GLN A 96 -12.222 4.092 2.617 1.00 0.00 C ATOM 1561 CD GLN A 96 -13.606 3.473 2.660 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -13.758 2.251 2.598 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -14.621 4.306 2.766 1.00 0.00 N ATOM 0 H GLN A 96 -9.839 3.874 1.191 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.849 4.710 3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -11.094 2.279 2.561 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.471 2.841 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.227 5.026 3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.970 4.341 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -14.453 5.311 2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -15.575 3.946 2.800 1.00 0.00 H new ATOM 1572 N ALA A 97 -8.227 1.946 3.187 1.00 0.00 N ATOM 1573 CA ALA A 97 -7.276 0.969 3.687 1.00 0.00 C ATOM 1574 C ALA A 97 -6.041 1.654 4.264 1.00 0.00 C ATOM 1575 O ALA A 97 -5.486 1.204 5.263 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.883 -0.001 2.587 1.00 0.00 C ATOM 0 H ALA A 97 -8.397 1.885 2.183 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.756 0.408 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.170 -0.726 2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.770 -0.522 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.426 0.548 1.764 1.00 0.00 H new ATOM 1582 N LEU A 98 -5.627 2.755 3.639 1.00 0.00 N ATOM 1583 CA LEU A 98 -4.445 3.499 4.080 1.00 0.00 C ATOM 1584 C LEU A 98 -4.630 4.040 5.493 1.00 0.00 C ATOM 1585 O LEU A 98 -3.671 4.137 6.260 1.00 0.00 O ATOM 1586 CB LEU A 98 -4.147 4.658 3.122 1.00 0.00 C ATOM 1587 CG LEU A 98 -3.787 4.266 1.690 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -3.579 5.505 0.834 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -2.542 3.394 1.674 1.00 0.00 C ATOM 0 H LEU A 98 -6.093 3.153 2.824 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.603 2.807 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.019 5.311 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.325 5.243 3.535 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.615 3.694 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.323 5.206 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.495 6.095 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.769 6.103 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.300 3.124 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.708 3.943 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.724 2.489 2.253 1.00 0.00 H new ATOM 1601 N GLN A 99 -5.864 4.375 5.838 1.00 0.00 N ATOM 1602 CA GLN A 99 -6.174 4.887 7.170 1.00 0.00 C ATOM 1603 C GLN A 99 -5.938 3.792 8.202 1.00 0.00 C ATOM 1604 O GLN A 99 -5.401 4.036 9.288 1.00 0.00 O ATOM 1605 CB GLN A 99 -7.631 5.363 7.235 1.00 0.00 C ATOM 1606 CG GLN A 99 -8.050 6.239 6.058 1.00 0.00 C ATOM 1607 CD GLN A 99 -7.149 7.441 5.863 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -6.591 7.978 6.818 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -6.997 7.864 4.628 1.00 0.00 N ATOM 0 H GLN A 99 -6.669 4.303 5.216 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.524 5.735 7.385 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.285 4.492 7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -7.780 5.920 8.160 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.048 5.639 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -9.073 6.581 6.213 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.478 7.390 3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.398 8.666 4.434 1.00 0.00 H new ATOM 1618 N LYS A 100 -6.331 2.583 7.835 1.00 0.00 N ATOM 1619 CA LYS A 100 -6.157 1.406 8.666 1.00 0.00 C ATOM 1620 C LYS A 100 -4.674 1.042 8.771 1.00 0.00 C ATOM 1621 O LYS A 100 -4.180 0.692 9.845 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.958 0.244 8.061 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.759 -1.102 8.741 1.00 0.00 C ATOM 1624 CD LYS A 100 -7.599 -2.172 8.060 1.00 0.00 C ATOM 1625 CE LYS A 100 -7.323 -3.555 8.624 1.00 0.00 C ATOM 1626 NZ LYS A 100 -8.195 -4.581 7.999 1.00 0.00 N ATOM 0 H LYS A 100 -6.785 2.391 6.942 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.524 1.612 9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.018 0.497 8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.688 0.146 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.706 -1.381 8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.035 -1.029 9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.656 -1.935 8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.392 -2.169 6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.277 -3.815 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.483 -3.548 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.700 -5.495 7.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.073 -4.672 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.424 -4.296 7.025 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.970 1.141 7.647 1.00 0.00 N ATOM 1641 CA ILE A 101 -2.545 0.822 7.595 1.00 0.00 C ATOM 1642 C ILE A 101 -1.734 1.735 8.509 1.00 0.00 C ATOM 1643 O ILE A 101 -0.807 1.282 9.173 1.00 0.00 O ATOM 1644 CB ILE A 101 -1.990 0.907 6.149 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -2.652 -0.153 5.268 1.00 0.00 C ATOM 1646 CG2 ILE A 101 -0.470 0.740 6.135 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -2.182 -0.132 3.835 1.00 0.00 C ATOM 0 H ILE A 101 -4.365 1.441 6.756 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.444 -0.205 7.945 1.00 0.00 H new ATOM 0 HB ILE A 101 -2.224 1.894 5.750 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.455 -1.138 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.732 -0.007 5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.106 0.804 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.012 1.529 6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.207 -0.231 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.696 -0.911 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.403 0.840 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.107 -0.309 3.802 1.00 0.00 H new ATOM 1659 N ARG A 102 -2.098 3.014 8.560 1.00 0.00 N ATOM 1660 CA ARG A 102 -1.384 3.961 9.408 1.00 0.00 C ATOM 1661 C ARG A 102 -1.458 3.549 10.875 1.00 0.00 C ATOM 1662 O ARG A 102 -0.501 3.718 11.621 1.00 0.00 O ATOM 1663 CB ARG A 102 -1.897 5.392 9.212 1.00 0.00 C ATOM 1664 CG ARG A 102 -1.557 5.979 7.847 1.00 0.00 C ATOM 1665 CD ARG A 102 -1.834 7.475 7.788 1.00 0.00 C ATOM 1666 NE ARG A 102 -3.262 7.791 7.899 1.00 0.00 N ATOM 1667 CZ ARG A 102 -3.802 8.508 8.892 1.00 0.00 C ATOM 1668 NH1 ARG A 102 -3.049 8.944 9.891 1.00 0.00 N ATOM 1669 NH2 ARG A 102 -5.094 8.780 8.884 1.00 0.00 N ATOM 0 H ARG A 102 -2.873 3.414 8.031 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.337 3.944 9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.979 5.403 9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.475 6.030 9.988 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.506 5.795 7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.139 5.471 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.292 7.973 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.449 7.875 6.850 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.885 7.441 7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.051 8.734 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.467 9.490 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.681 8.444 8.121 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.505 9.326 9.641 1.00 0.00 H new ATOM 1683 N GLU A 103 -2.587 2.980 11.273 1.00 0.00 N ATOM 1684 CA GLU A 103 -2.748 2.490 12.636 1.00 0.00 C ATOM 1685 C GLU A 103 -1.867 1.269 12.866 1.00 0.00 C ATOM 1686 O GLU A 103 -1.248 1.123 13.923 1.00 0.00 O ATOM 1687 CB GLU A 103 -4.209 2.146 12.915 1.00 0.00 C ATOM 1688 CG GLU A 103 -5.101 3.362 13.070 1.00 0.00 C ATOM 1689 CD GLU A 103 -4.713 4.200 14.267 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -4.018 5.223 14.088 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -5.098 3.841 15.401 1.00 0.00 O1- ATOM 0 H GLU A 103 -3.402 2.846 10.675 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.442 3.279 13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.590 1.528 12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.265 1.547 13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.044 3.971 12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.137 3.041 13.173 1.00 0.00 H new ATOM 1698 N LEU A 104 -1.797 0.406 11.861 1.00 0.00 N ATOM 1699 CA LEU A 104 -0.980 -0.798 11.934 1.00 0.00 C ATOM 1700 C LEU A 104 0.505 -0.441 11.941 1.00 0.00 C ATOM 1701 O LEU A 104 1.330 -1.172 12.497 1.00 0.00 O ATOM 1702 CB LEU A 104 -1.291 -1.729 10.757 1.00 0.00 C ATOM 1703 CG LEU A 104 -2.743 -2.207 10.646 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -2.929 -3.066 9.406 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -3.154 -2.976 11.895 1.00 0.00 C ATOM 0 H LEU A 104 -2.300 0.519 10.981 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.218 -1.315 12.863 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.027 -1.215 9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.646 -2.604 10.831 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.385 -1.330 10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.966 -3.396 9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.680 -2.483 8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.274 -3.936 9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.188 -3.306 11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.506 -3.844 12.017 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.062 -2.329 12.767 1.00 0.00 H new ATOM 1717 N ALA A 105 0.842 0.666 11.291 1.00 0.00 N ATOM 1718 CA ALA A 105 2.213 1.150 11.256 1.00 0.00 C ATOM 1719 C ALA A 105 2.609 1.784 12.589 1.00 0.00 C ATOM 1720 O ALA A 105 3.774 1.744 12.979 1.00 0.00 O ATOM 1721 CB ALA A 105 2.395 2.142 10.118 1.00 0.00 C ATOM 0 H ALA A 105 0.179 1.247 10.779 1.00 0.00 H new ATOM 0 HA ALA A 105 2.868 0.296 11.084 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.426 2.495 10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.166 1.655 9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.723 2.988 10.262 1.00 0.00 H new ATOM 1727 N GLU A 106 1.627 2.349 13.296 1.00 0.00 N ATOM 1728 CA GLU A 106 1.883 2.985 14.591 1.00 0.00 C ATOM 1729 C GLU A 106 1.963 1.943 15.690 1.00 0.00 C ATOM 1730 O GLU A 106 2.632 2.145 16.707 1.00 0.00 O ATOM 1731 CB GLU A 106 0.768 3.976 14.911 1.00 0.00 C ATOM 1732 CG GLU A 106 0.832 5.257 14.106 1.00 0.00 C ATOM 1733 CD GLU A 106 1.828 6.238 14.671 1.00 0.00 C ATOM 1734 OE1 GLU A 106 1.433 7.051 15.534 1.00 0.00 O ATOM 1735 OE2 GLU A 106 3.004 6.210 14.261 1.00 0.00 O1- ATOM 0 H GLU A 106 0.653 2.379 12.996 1.00 0.00 H new ATOM 0 HA GLU A 106 2.836 3.512 14.534 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.194 3.495 14.733 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.809 4.223 15.972 1.00 0.00 H new ATOM 0 HG2 GLU A 106 1.100 5.023 13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.155 5.718 14.082 1.00 0.00 H new ATOM 1742 N LYS A 107 1.290 0.816 15.460 1.00 0.00 N ATOM 1743 CA LYS A 107 1.300 -0.327 16.374 1.00 0.00 C ATOM 1744 C LYS A 107 0.906 0.060 17.800 1.00 0.00 C ATOM 1745 O LYS A 107 1.315 -0.584 18.766 1.00 0.00 O ATOM 1746 CB LYS A 107 2.670 -1.002 16.339 1.00 0.00 C ATOM 1747 CG LYS A 107 3.087 -1.344 14.929 1.00 0.00 C ATOM 1748 CD LYS A 107 4.363 -2.139 14.867 1.00 0.00 C ATOM 1749 CE LYS A 107 4.671 -2.518 13.432 1.00 0.00 C ATOM 1750 NZ LYS A 107 3.484 -3.120 12.761 1.00 0.00 N ATOM 0 H LYS A 107 0.718 0.669 14.628 1.00 0.00 H new ATOM 0 HA LYS A 107 0.544 -1.035 16.033 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.412 -0.342 16.788 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.644 -1.910 16.941 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.289 -1.910 14.448 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.212 -0.423 14.360 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.185 -1.555 15.282 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.271 -3.038 15.477 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.992 -1.634 12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.500 -3.225 13.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.786 -3.609 11.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 3.030 -3.801 13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.806 -2.370 12.517 1.00 0.00 H new