USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 652 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 16 HIS : no HD1:sc= -0.811 X(o=-1,f=-1.1) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.223 X(o=-1,f=-0.81) USER MOD Set 2.1: A 10 TYR OH : rot 34:sc= 0.136 USER MOD Set 2.2: A 14 GLN : amide:sc= -0.114 X(o=-0.12,f=0.27) USER MOD Set 2.3: A 45 HIS : no HD1:sc= -0.145 K(o=-0.12,f=0.43) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 142:sc= -0.436 (180deg=-2.28!) USER MOD Single : A 19 HIS : no HD1:sc= -0.918 K(o=-0.92,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -79:sc= 0.773 USER MOD Single : A 39 TYR OH : rot -16:sc= -0.233 USER MOD Single : A 42 THR OG1 : rot 101:sc= -0.483! USER MOD Single : A 43 TYR OH : rot -148:sc= -0.139 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= -0.6 (180deg=-2.4!) USER MOD Single : A 50 TYR OH : rot 22:sc= 0.218 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 63 TYR OH : rot 3:sc= -0.418 USER MOD Single : A 65 GLN : amide:sc= -0.533 K(o=-0.53,f=0) USER MOD Single : A 75 THR OG1 : rot -18:sc= 0.267 USER MOD Single : A 76 GLN : amide:sc= -1.21 K(o=-1.2,f=-6.9!) USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= -0.991 (180deg=-2.93!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.821 K(o=-0.82,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -147:sc= -0.0455 (180deg=-0.0649) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 6 -10.988 0.892 9.355 1.00 0.00 N ATOM 72 CA PRO A 6 -9.898 0.919 8.353 1.00 0.00 C ATOM 73 C PRO A 6 -8.494 0.888 8.986 1.00 0.00 C ATOM 74 O PRO A 6 -7.673 0.060 8.589 1.00 0.00 O ATOM 75 CB PRO A 6 -10.149 2.227 7.545 1.00 0.00 C ATOM 76 CG PRO A 6 -11.061 3.050 8.406 1.00 0.00 C ATOM 77 CD PRO A 6 -11.902 2.059 9.176 1.00 0.00 C ATOM 0 HA PRO A 6 -9.914 0.030 7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.215 2.752 7.345 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.606 2.012 6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.491 3.688 9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.686 3.706 7.799 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.226 2.466 10.134 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.802 1.784 8.626 1.00 0.00 H new ATOM 85 N PHE A 7 -8.236 1.764 9.987 1.00 0.00 N ATOM 86 CA PHE A 7 -6.940 1.791 10.702 1.00 0.00 C ATOM 87 C PHE A 7 -6.662 0.466 11.431 1.00 0.00 C ATOM 88 O PHE A 7 -5.523 0.003 11.458 1.00 0.00 O ATOM 89 CB PHE A 7 -6.860 2.965 11.717 1.00 0.00 C ATOM 90 CG PHE A 7 -5.481 3.090 12.392 1.00 0.00 C ATOM 91 CD1 PHE A 7 -4.428 3.736 11.742 1.00 0.00 C ATOM 92 CD2 PHE A 7 -5.226 2.516 13.642 1.00 0.00 C ATOM 93 CE1 PHE A 7 -3.179 3.819 12.327 1.00 0.00 C ATOM 94 CE2 PHE A 7 -3.978 2.605 14.224 1.00 0.00 C ATOM 95 CZ PHE A 7 -2.952 3.249 13.563 1.00 0.00 C ATOM 0 H PHE A 7 -8.907 2.459 10.316 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.177 1.939 9.938 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.092 3.898 11.203 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.622 2.826 12.484 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.592 4.176 10.770 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.018 1.995 14.159 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.378 4.332 11.815 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.804 2.170 15.197 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.972 3.307 14.013 1.00 0.00 H new ATOM 105 N THR A 8 -7.709 -0.126 12.015 1.00 0.00 N ATOM 106 CA THR A 8 -7.574 -1.307 12.873 1.00 0.00 C ATOM 107 C THR A 8 -7.126 -2.533 12.047 1.00 0.00 C ATOM 108 O THR A 8 -6.193 -3.236 12.443 1.00 0.00 O ATOM 109 CB THR A 8 -8.905 -1.582 13.642 1.00 0.00 C ATOM 110 OG1 THR A 8 -9.317 -0.369 14.304 1.00 0.00 O ATOM 111 CG2 THR A 8 -8.762 -2.711 14.691 1.00 0.00 C ATOM 0 H THR A 8 -8.670 0.199 11.907 1.00 0.00 H new ATOM 0 HA THR A 8 -6.800 -1.113 13.615 1.00 0.00 H new ATOM 0 HB THR A 8 -9.649 -1.907 12.915 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.153 -0.529 14.789 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.716 -2.861 15.196 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.466 -3.634 14.194 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.003 -2.434 15.423 1.00 0.00 H new ATOM 119 N ARG A 9 -7.769 -2.754 10.878 1.00 0.00 N ATOM 120 CA ARG A 9 -7.406 -3.860 9.959 1.00 0.00 C ATOM 121 C ARG A 9 -6.101 -3.550 9.187 1.00 0.00 C ATOM 122 O ARG A 9 -5.404 -4.469 8.765 1.00 0.00 O ATOM 123 CB ARG A 9 -8.576 -4.199 9.001 1.00 0.00 C ATOM 124 CG ARG A 9 -8.905 -3.134 7.940 1.00 0.00 C ATOM 125 CD ARG A 9 -10.299 -3.323 7.300 1.00 0.00 C ATOM 126 NE ARG A 9 -10.562 -4.736 6.909 1.00 0.00 N ATOM 127 CZ ARG A 9 -11.466 -5.550 7.499 1.00 0.00 C ATOM 128 NH1 ARG A 9 -12.231 -5.118 8.481 1.00 0.00 N ATOM 129 NH2 ARG A 9 -11.597 -6.803 7.108 1.00 0.00 N ATOM 0 H ARG A 9 -8.544 -2.180 10.547 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.215 -4.746 10.565 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.343 -5.133 8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.470 -4.377 9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.853 -2.146 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.146 -3.163 7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.065 -2.996 8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.380 -2.685 6.420 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.018 -5.119 6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.147 -4.155 8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.908 -5.746 8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.013 -7.166 6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.282 -7.409 7.559 1.00 0.00 H new ATOM 143 N TYR A 10 -5.804 -2.248 9.000 1.00 0.00 N ATOM 144 CA TYR A 10 -4.529 -1.769 8.409 1.00 0.00 C ATOM 145 C TYR A 10 -3.331 -2.167 9.288 1.00 0.00 C ATOM 146 O TYR A 10 -2.381 -2.790 8.811 1.00 0.00 O ATOM 147 CB TYR A 10 -4.579 -0.226 8.224 1.00 0.00 C ATOM 148 CG TYR A 10 -3.253 0.440 7.810 1.00 0.00 C ATOM 149 CD1 TYR A 10 -2.674 0.185 6.565 1.00 0.00 C ATOM 150 CD2 TYR A 10 -2.588 1.327 8.667 1.00 0.00 C ATOM 151 CE1 TYR A 10 -1.486 0.784 6.194 1.00 0.00 C ATOM 152 CE2 TYR A 10 -1.402 1.927 8.295 1.00 0.00 C ATOM 153 CZ TYR A 10 -0.858 1.654 7.059 1.00 0.00 C ATOM 154 OH TYR A 10 0.327 2.251 6.687 1.00 0.00 O ATOM 0 H TYR A 10 -6.441 -1.493 9.254 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.401 -2.240 7.434 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.332 0.007 7.471 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.914 0.223 9.159 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.163 -0.492 5.881 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.011 1.545 9.636 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.050 0.571 5.229 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.903 2.607 8.969 1.00 0.00 H new ATOM 0 HH TYR A 10 0.321 2.417 5.721 1.00 0.00 H new ATOM 164 N ALA A 11 -3.415 -1.806 10.578 1.00 0.00 N ATOM 165 CA ALA A 11 -2.377 -2.102 11.576 1.00 0.00 C ATOM 166 C ALA A 11 -2.308 -3.612 11.840 1.00 0.00 C ATOM 167 O ALA A 11 -1.234 -4.146 12.102 1.00 0.00 O ATOM 168 CB ALA A 11 -2.648 -1.328 12.876 1.00 0.00 C ATOM 0 H ALA A 11 -4.212 -1.296 10.960 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.412 -1.780 11.185 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.871 -1.558 13.605 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.647 -0.258 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.619 -1.619 13.277 1.00 0.00 H new ATOM 174 N LEU A 12 -3.479 -4.282 11.730 1.00 0.00 N ATOM 175 CA LEU A 12 -3.602 -5.748 11.868 1.00 0.00 C ATOM 176 C LEU A 12 -2.889 -6.440 10.705 1.00 0.00 C ATOM 177 O LEU A 12 -2.257 -7.477 10.891 1.00 0.00 O ATOM 178 CB LEU A 12 -5.097 -6.166 11.919 1.00 0.00 C ATOM 179 CG LEU A 12 -5.397 -7.694 12.067 1.00 0.00 C ATOM 180 CD1 LEU A 12 -4.831 -8.265 13.392 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.912 -7.983 11.926 1.00 0.00 C ATOM 0 H LEU A 12 -4.367 -3.817 11.542 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.132 -6.056 12.802 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.567 -5.645 12.753 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.580 -5.811 11.009 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.885 -8.207 11.253 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.060 -9.329 13.457 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.750 -8.124 13.417 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.284 -7.744 14.236 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.090 -9.053 12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.459 -7.445 12.700 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.255 -7.655 10.945 1.00 0.00 H new ATOM 193 N ALA A 13 -2.988 -5.832 9.508 1.00 0.00 N ATOM 194 CA ALA A 13 -2.327 -6.322 8.290 1.00 0.00 C ATOM 195 C ALA A 13 -0.798 -6.199 8.422 1.00 0.00 C ATOM 196 O ALA A 13 -0.061 -7.097 8.026 1.00 0.00 O ATOM 197 CB ALA A 13 -2.844 -5.568 7.054 1.00 0.00 C ATOM 0 H ALA A 13 -3.533 -4.982 9.361 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.569 -7.377 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.343 -5.945 6.162 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.919 -5.720 6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.637 -4.504 7.164 1.00 0.00 H new ATOM 203 N GLN A 14 -0.341 -5.082 9.004 1.00 0.00 N ATOM 204 CA GLN A 14 1.084 -4.872 9.333 1.00 0.00 C ATOM 205 C GLN A 14 1.575 -5.920 10.356 1.00 0.00 C ATOM 206 O GLN A 14 2.714 -6.395 10.273 1.00 0.00 O ATOM 207 CB GLN A 14 1.309 -3.443 9.882 1.00 0.00 C ATOM 208 CG GLN A 14 0.861 -2.316 8.935 1.00 0.00 C ATOM 209 CD GLN A 14 1.254 -0.924 9.426 1.00 0.00 C ATOM 210 OE1 GLN A 14 1.365 -0.671 10.629 1.00 0.00 O ATOM 211 NE2 GLN A 14 1.466 -0.013 8.493 1.00 0.00 N ATOM 0 H GLN A 14 -0.942 -4.299 9.261 1.00 0.00 H new ATOM 0 HA GLN A 14 1.662 -4.991 8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.773 -3.342 10.826 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.369 -3.315 10.102 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.297 -2.483 7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.222 -2.360 8.816 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.365 -0.258 7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.731 0.936 8.757 1.00 0.00 H new ATOM 220 N GLU A 15 0.693 -6.280 11.310 1.00 0.00 N ATOM 221 CA GLU A 15 0.972 -7.340 12.291 1.00 0.00 C ATOM 222 C GLU A 15 1.071 -8.704 11.585 1.00 0.00 C ATOM 223 O GLU A 15 1.901 -9.524 11.946 1.00 0.00 O ATOM 224 CB GLU A 15 -0.097 -7.368 13.414 1.00 0.00 C ATOM 225 CG GLU A 15 -0.090 -6.114 14.310 1.00 0.00 C ATOM 226 CD GLU A 15 -1.180 -6.131 15.393 1.00 0.00 C ATOM 227 OE1 GLU A 15 -2.344 -5.808 15.079 1.00 0.00 O ATOM 228 OE2 GLU A 15 -0.878 -6.454 16.563 1.00 0.00 O ATOM 0 H GLU A 15 -0.224 -5.847 11.419 1.00 0.00 H new ATOM 0 HA GLU A 15 1.930 -7.124 12.763 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.083 -7.475 12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.065 -8.248 14.036 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.885 -6.024 14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.222 -5.230 13.686 1.00 0.00 H new ATOM 235 N HIS A 16 0.218 -8.925 10.568 1.00 0.00 N ATOM 236 CA HIS A 16 0.270 -10.140 9.738 1.00 0.00 C ATOM 237 C HIS A 16 1.603 -10.233 8.966 1.00 0.00 C ATOM 238 O HIS A 16 2.197 -11.302 8.915 1.00 0.00 O ATOM 239 CB HIS A 16 -0.937 -10.221 8.766 1.00 0.00 C ATOM 240 CG HIS A 16 -2.254 -10.494 9.439 1.00 0.00 C ATOM 241 ND1 HIS A 16 -2.457 -11.574 10.263 1.00 0.00 N ATOM 242 CD2 HIS A 16 -3.426 -9.821 9.418 1.00 0.00 C ATOM 243 CE1 HIS A 16 -3.688 -11.549 10.723 1.00 0.00 C ATOM 244 NE2 HIS A 16 -4.300 -10.496 10.229 1.00 0.00 N ATOM 0 H HIS A 16 -0.519 -8.273 10.301 1.00 0.00 H new ATOM 0 HA HIS A 16 0.209 -10.994 10.413 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.010 -9.282 8.217 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.747 -11.005 8.033 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.635 -8.918 8.864 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.124 -12.273 11.395 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -5.265 -10.226 10.418 1.00 0.00 H new ATOM 253 N LEU A 17 2.083 -9.105 8.413 1.00 0.00 N ATOM 254 CA LEU A 17 3.361 -9.052 7.661 1.00 0.00 C ATOM 255 C LEU A 17 4.551 -9.547 8.510 1.00 0.00 C ATOM 256 O LEU A 17 5.330 -10.395 8.066 1.00 0.00 O ATOM 257 CB LEU A 17 3.630 -7.610 7.138 1.00 0.00 C ATOM 258 CG LEU A 17 2.749 -7.148 5.939 1.00 0.00 C ATOM 259 CD1 LEU A 17 3.048 -5.690 5.530 1.00 0.00 C ATOM 260 CD2 LEU A 17 2.925 -8.103 4.740 1.00 0.00 C ATOM 0 H LEU A 17 1.603 -8.207 8.471 1.00 0.00 H new ATOM 0 HA LEU A 17 3.264 -9.725 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.484 -6.912 7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.677 -7.540 6.843 1.00 0.00 H new ATOM 0 HG LEU A 17 1.709 -7.183 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.411 -5.410 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.850 -5.028 6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.094 -5.601 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.302 -7.765 3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.970 -8.109 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.627 -9.110 5.031 1.00 0.00 H new ATOM 272 N LYS A 18 4.656 -9.024 9.740 1.00 0.00 N ATOM 273 CA LYS A 18 5.749 -9.377 10.672 1.00 0.00 C ATOM 274 C LYS A 18 5.537 -10.777 11.301 1.00 0.00 C ATOM 275 O LYS A 18 6.499 -11.413 11.736 1.00 0.00 O ATOM 276 CB LYS A 18 5.907 -8.270 11.751 1.00 0.00 C ATOM 277 CG LYS A 18 4.627 -7.943 12.548 1.00 0.00 C ATOM 278 CD LYS A 18 4.744 -6.693 13.464 1.00 0.00 C ATOM 279 CE LYS A 18 5.592 -6.913 14.738 1.00 0.00 C ATOM 280 NZ LYS A 18 7.033 -7.103 14.461 1.00 0.00 N ATOM 0 H LYS A 18 3.993 -8.348 10.120 1.00 0.00 H new ATOM 0 HA LYS A 18 6.679 -9.434 10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.684 -8.576 12.452 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.256 -7.359 11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.806 -7.790 11.847 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.365 -8.805 13.162 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.179 -5.876 12.889 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.743 -6.378 13.758 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.467 -6.057 15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.214 -7.786 15.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.594 -6.629 15.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.255 -8.119 14.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.265 -6.695 13.533 1.00 0.00 H new ATOM 294 N HIS A 19 4.273 -11.256 11.327 1.00 0.00 N ATOM 295 CA HIS A 19 3.935 -12.644 11.750 1.00 0.00 C ATOM 296 C HIS A 19 4.006 -13.633 10.561 1.00 0.00 C ATOM 297 O HIS A 19 3.518 -14.765 10.678 1.00 0.00 O ATOM 298 CB HIS A 19 2.522 -12.695 12.397 1.00 0.00 C ATOM 299 CG HIS A 19 2.409 -12.083 13.777 1.00 0.00 C ATOM 300 ND1 HIS A 19 1.554 -12.573 14.742 1.00 0.00 N ATOM 301 CD2 HIS A 19 3.017 -11.008 14.342 1.00 0.00 C ATOM 302 CE1 HIS A 19 1.639 -11.830 15.823 1.00 0.00 C ATOM 303 NE2 HIS A 19 2.518 -10.873 15.610 1.00 0.00 N ATOM 0 H HIS A 19 3.461 -10.701 11.059 1.00 0.00 H new ATOM 0 HA HIS A 19 4.676 -12.947 12.490 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.821 -12.186 11.735 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.206 -13.737 12.455 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.758 -10.375 13.876 1.00 0.00 H new ATOM 0 HE1 HIS A 19 1.080 -11.980 16.735 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.783 -10.150 16.279 1.00 0.00 H new ATOM 312 N ASP A 20 4.576 -13.175 9.415 1.00 0.00 N ATOM 313 CA ASP A 20 4.829 -14.006 8.200 1.00 0.00 C ATOM 314 C ASP A 20 3.523 -14.321 7.407 1.00 0.00 C ATOM 315 O ASP A 20 3.563 -14.940 6.338 1.00 0.00 O ATOM 316 CB ASP A 20 5.637 -15.291 8.577 1.00 0.00 C ATOM 317 CG ASP A 20 6.058 -16.163 7.381 1.00 0.00 C ATOM 318 OD1 ASP A 20 6.923 -15.724 6.591 1.00 0.00 O ATOM 319 OD2 ASP A 20 5.506 -17.270 7.202 1.00 0.00 O ATOM 0 H ASP A 20 4.878 -12.207 9.304 1.00 0.00 H new ATOM 0 HA ASP A 20 5.443 -13.421 7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.531 -14.993 9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.035 -15.896 9.255 1.00 0.00 H new ATOM 324 N ASN A 21 2.378 -13.828 7.909 1.00 0.00 N ATOM 325 CA ASN A 21 1.050 -13.969 7.269 1.00 0.00 C ATOM 326 C ASN A 21 0.855 -12.866 6.196 1.00 0.00 C ATOM 327 O ASN A 21 -0.129 -12.113 6.222 1.00 0.00 O ATOM 328 CB ASN A 21 -0.059 -13.885 8.367 1.00 0.00 C ATOM 329 CG ASN A 21 0.041 -14.956 9.461 1.00 0.00 C ATOM 330 OD1 ASN A 21 -0.249 -14.690 10.625 1.00 0.00 O ATOM 331 ND2 ASN A 21 0.398 -16.179 9.095 1.00 0.00 N ATOM 0 H ASN A 21 2.344 -13.310 8.787 1.00 0.00 H new ATOM 0 HA ASN A 21 0.981 -14.936 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.014 -12.902 8.835 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.034 -13.965 7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.437 -16.927 9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.634 -16.372 8.121 1.00 0.00 H new ATOM 338 N ALA A 22 1.801 -12.806 5.241 1.00 0.00 N ATOM 339 CA ALA A 22 1.835 -11.797 4.164 1.00 0.00 C ATOM 340 C ALA A 22 0.571 -11.861 3.292 1.00 0.00 C ATOM 341 O ALA A 22 0.043 -10.833 2.878 1.00 0.00 O ATOM 342 CB ALA A 22 3.094 -11.998 3.310 1.00 0.00 C ATOM 0 H ALA A 22 2.576 -13.467 5.194 1.00 0.00 H new ATOM 0 HA ALA A 22 1.864 -10.807 4.620 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.118 -11.252 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.980 -11.889 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.080 -12.996 2.871 1.00 0.00 H new ATOM 348 N SER A 23 0.115 -13.095 3.036 1.00 0.00 N ATOM 349 CA SER A 23 -1.118 -13.384 2.287 1.00 0.00 C ATOM 350 C SER A 23 -2.364 -12.760 2.959 1.00 0.00 C ATOM 351 O SER A 23 -3.198 -12.146 2.279 1.00 0.00 O ATOM 352 CB SER A 23 -1.272 -14.910 2.166 1.00 0.00 C ATOM 353 OG SER A 23 -1.216 -15.523 3.446 1.00 0.00 O ATOM 0 H SER A 23 0.601 -13.936 3.349 1.00 0.00 H new ATOM 0 HA SER A 23 -1.041 -12.935 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.221 -15.148 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.483 -15.311 1.530 1.00 0.00 H new ATOM 0 HG SER A 23 -1.317 -16.493 3.349 1.00 0.00 H new ATOM 359 N ARG A 24 -2.476 -12.918 4.292 1.00 0.00 N ATOM 360 CA ARG A 24 -3.602 -12.376 5.084 1.00 0.00 C ATOM 361 C ARG A 24 -3.568 -10.839 5.108 1.00 0.00 C ATOM 362 O ARG A 24 -4.612 -10.169 5.029 1.00 0.00 O ATOM 363 CB ARG A 24 -3.536 -12.951 6.525 1.00 0.00 C ATOM 364 CG ARG A 24 -3.798 -14.469 6.624 1.00 0.00 C ATOM 365 CD ARG A 24 -5.231 -14.839 6.210 1.00 0.00 C ATOM 366 NE ARG A 24 -5.496 -16.287 6.371 1.00 0.00 N ATOM 367 CZ ARG A 24 -6.675 -16.835 6.725 1.00 0.00 C ATOM 368 NH1 ARG A 24 -7.749 -16.080 6.920 1.00 0.00 N ATOM 369 NH2 ARG A 24 -6.770 -18.147 6.863 1.00 0.00 N ATOM 0 H ARG A 24 -1.790 -13.424 4.852 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.542 -12.675 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.552 -12.737 6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.265 -12.429 7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.089 -15.000 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.620 -14.801 7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.941 -14.271 6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.394 -14.554 5.171 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.719 -16.925 6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.690 -15.069 6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.634 -16.511 7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.954 -18.737 6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.659 -18.569 7.131 1.00 0.00 H new ATOM 383 N ALA A 25 -2.344 -10.300 5.203 1.00 0.00 N ATOM 384 CA ALA A 25 -2.080 -8.858 5.141 1.00 0.00 C ATOM 385 C ALA A 25 -2.481 -8.292 3.774 1.00 0.00 C ATOM 386 O ALA A 25 -3.050 -7.205 3.689 1.00 0.00 O ATOM 387 CB ALA A 25 -0.596 -8.599 5.395 1.00 0.00 C ATOM 0 H ALA A 25 -1.501 -10.861 5.326 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.674 -8.360 5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.401 -7.528 5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.325 -8.975 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.003 -9.109 4.636 1.00 0.00 H new ATOM 393 N LEU A 26 -2.206 -9.093 2.725 1.00 0.00 N ATOM 394 CA LEU A 26 -2.420 -8.720 1.319 1.00 0.00 C ATOM 395 C LEU A 26 -3.902 -8.442 1.076 1.00 0.00 C ATOM 396 O LEU A 26 -4.266 -7.361 0.630 1.00 0.00 O ATOM 397 CB LEU A 26 -1.911 -9.857 0.383 1.00 0.00 C ATOM 398 CG LEU A 26 -1.946 -9.573 -1.150 1.00 0.00 C ATOM 399 CD1 LEU A 26 -1.021 -8.398 -1.540 1.00 0.00 C ATOM 400 CD2 LEU A 26 -1.593 -10.846 -1.952 1.00 0.00 C ATOM 0 H LEU A 26 -1.823 -10.032 2.837 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.857 -7.814 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.884 -10.092 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.506 -10.749 0.577 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.964 -9.279 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.075 -8.234 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.340 -7.495 -1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.006 -8.635 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.624 -10.624 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.592 -11.182 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.314 -11.631 -1.724 1.00 0.00 H new ATOM 412 N ALA A 27 -4.731 -9.432 1.440 1.00 0.00 N ATOM 413 CA ALA A 27 -6.194 -9.363 1.321 1.00 0.00 C ATOM 414 C ALA A 27 -6.782 -8.150 2.083 1.00 0.00 C ATOM 415 O ALA A 27 -7.686 -7.485 1.566 1.00 0.00 O ATOM 416 CB ALA A 27 -6.814 -10.679 1.808 1.00 0.00 C ATOM 0 H ALA A 27 -4.399 -10.314 1.830 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.444 -9.220 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.899 -10.625 1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.440 -11.504 1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.544 -10.845 2.851 1.00 0.00 H new ATOM 422 N LEU A 28 -6.253 -7.863 3.298 1.00 0.00 N ATOM 423 CA LEU A 28 -6.692 -6.694 4.106 1.00 0.00 C ATOM 424 C LEU A 28 -6.353 -5.355 3.419 1.00 0.00 C ATOM 425 O LEU A 28 -7.186 -4.448 3.412 1.00 0.00 O ATOM 426 CB LEU A 28 -6.097 -6.729 5.543 1.00 0.00 C ATOM 427 CG LEU A 28 -6.720 -7.776 6.524 1.00 0.00 C ATOM 428 CD1 LEU A 28 -6.037 -7.716 7.912 1.00 0.00 C ATOM 429 CD2 LEU A 28 -8.252 -7.578 6.654 1.00 0.00 C ATOM 0 H LEU A 28 -5.524 -8.422 3.740 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.777 -6.766 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.028 -6.926 5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.208 -5.738 5.984 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.544 -8.767 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.491 -8.455 8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.974 -7.930 7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.165 -6.721 8.338 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.658 -8.320 7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.459 -6.578 7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.719 -7.697 5.676 1.00 0.00 H new ATOM 441 N PHE A 29 -5.135 -5.241 2.850 1.00 0.00 N ATOM 442 CA PHE A 29 -4.683 -4.019 2.158 1.00 0.00 C ATOM 443 C PHE A 29 -5.509 -3.779 0.871 1.00 0.00 C ATOM 444 O PHE A 29 -5.973 -2.665 0.617 1.00 0.00 O ATOM 445 CB PHE A 29 -3.167 -4.081 1.818 1.00 0.00 C ATOM 446 CG PHE A 29 -2.195 -3.964 3.001 1.00 0.00 C ATOM 447 CD1 PHE A 29 -2.330 -2.945 3.944 1.00 0.00 C ATOM 448 CD2 PHE A 29 -1.128 -4.855 3.147 1.00 0.00 C ATOM 449 CE1 PHE A 29 -1.442 -2.832 4.999 1.00 0.00 C ATOM 450 CE2 PHE A 29 -0.241 -4.737 4.201 1.00 0.00 C ATOM 451 CZ PHE A 29 -0.396 -3.725 5.128 1.00 0.00 C ATOM 0 H PHE A 29 -4.442 -5.989 2.858 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.841 -3.183 2.839 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.970 -5.023 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.943 -3.282 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.138 -2.235 3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.994 -5.648 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.567 -2.042 5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.575 -5.438 4.300 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.298 -3.632 5.950 1.00 0.00 H new ATOM 461 N GLU A 30 -5.703 -4.845 0.078 1.00 0.00 N ATOM 462 CA GLU A 30 -6.522 -4.811 -1.156 1.00 0.00 C ATOM 463 C GLU A 30 -7.989 -4.442 -0.837 1.00 0.00 C ATOM 464 O GLU A 30 -8.676 -3.804 -1.643 1.00 0.00 O ATOM 465 CB GLU A 30 -6.445 -6.191 -1.863 1.00 0.00 C ATOM 466 CG GLU A 30 -5.029 -6.589 -2.324 1.00 0.00 C ATOM 467 CD GLU A 30 -4.961 -7.992 -2.951 1.00 0.00 C ATOM 468 OE1 GLU A 30 -5.134 -8.988 -2.218 1.00 0.00 O ATOM 469 OE2 GLU A 30 -4.743 -8.105 -4.177 1.00 0.00 O ATOM 0 H GLU A 30 -5.297 -5.761 0.271 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.127 -4.044 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.822 -6.956 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.107 -6.180 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.672 -5.858 -3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.352 -6.548 -1.470 1.00 0.00 H new ATOM 476 N GLU A 31 -8.429 -4.829 0.373 1.00 0.00 N ATOM 477 CA GLU A 31 -9.781 -4.547 0.872 1.00 0.00 C ATOM 478 C GLU A 31 -9.907 -3.088 1.337 1.00 0.00 C ATOM 479 O GLU A 31 -10.963 -2.477 1.175 1.00 0.00 O ATOM 480 CB GLU A 31 -10.127 -5.530 2.005 1.00 0.00 C ATOM 481 CG GLU A 31 -11.553 -5.421 2.577 1.00 0.00 C ATOM 482 CD GLU A 31 -11.898 -6.596 3.500 1.00 0.00 C ATOM 483 OE1 GLU A 31 -11.086 -6.908 4.395 1.00 0.00 O ATOM 484 OE2 GLU A 31 -12.951 -7.244 3.305 1.00 0.00 O ATOM 0 H GLU A 31 -7.851 -5.349 1.034 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.495 -4.685 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.981 -6.545 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.417 -5.381 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.651 -4.486 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.270 -5.383 1.757 1.00 0.00 H new ATOM 491 N LEU A 32 -8.818 -2.545 1.907 1.00 0.00 N ATOM 492 CA LEU A 32 -8.742 -1.130 2.308 1.00 0.00 C ATOM 493 C LEU A 32 -8.935 -0.208 1.093 1.00 0.00 C ATOM 494 O LEU A 32 -9.636 0.794 1.182 1.00 0.00 O ATOM 495 CB LEU A 32 -7.381 -0.843 2.990 1.00 0.00 C ATOM 496 CG LEU A 32 -7.213 -1.411 4.431 1.00 0.00 C ATOM 497 CD1 LEU A 32 -5.736 -1.416 4.871 1.00 0.00 C ATOM 498 CD2 LEU A 32 -8.083 -0.619 5.424 1.00 0.00 C ATOM 0 H LEU A 32 -7.968 -3.073 2.102 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.543 -0.929 3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.588 -1.252 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.234 0.236 3.026 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.551 -2.447 4.424 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.659 -1.819 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.155 -2.035 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.348 -0.397 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.955 -1.028 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.781 0.428 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.130 -0.696 5.132 1.00 0.00 H new ATOM 510 N VAL A 33 -8.312 -0.596 -0.031 1.00 0.00 N ATOM 511 CA VAL A 33 -8.392 0.139 -1.307 1.00 0.00 C ATOM 512 C VAL A 33 -9.834 0.132 -1.860 1.00 0.00 C ATOM 513 O VAL A 33 -10.412 1.198 -2.092 1.00 0.00 O ATOM 514 CB VAL A 33 -7.392 -0.466 -2.372 1.00 0.00 C ATOM 515 CG1 VAL A 33 -7.554 0.186 -3.767 1.00 0.00 C ATOM 516 CG2 VAL A 33 -5.930 -0.343 -1.877 1.00 0.00 C ATOM 0 H VAL A 33 -7.734 -1.435 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.104 1.172 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.640 -1.522 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.846 -0.263 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.570 0.025 -4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.361 1.256 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.257 -0.765 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.686 0.708 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.817 -0.885 -0.938 1.00 0.00 H new ATOM 526 N GLU A 34 -10.407 -1.082 -2.039 1.00 0.00 N ATOM 527 CA GLU A 34 -11.724 -1.265 -2.703 1.00 0.00 C ATOM 528 C GLU A 34 -12.862 -0.541 -1.948 1.00 0.00 C ATOM 529 O GLU A 34 -13.795 -0.025 -2.576 1.00 0.00 O ATOM 530 CB GLU A 34 -12.050 -2.782 -2.869 1.00 0.00 C ATOM 531 CG GLU A 34 -12.309 -3.530 -1.547 1.00 0.00 C ATOM 532 CD GLU A 34 -12.481 -5.049 -1.702 1.00 0.00 C ATOM 533 OE1 GLU A 34 -11.478 -5.744 -1.956 1.00 0.00 O ATOM 534 OE2 GLU A 34 -13.608 -5.560 -1.537 1.00 0.00 O ATOM 0 H GLU A 34 -9.977 -1.954 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.654 -0.811 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.928 -2.884 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.221 -3.264 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.480 -3.338 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.205 -3.120 -1.081 1.00 0.00 H new ATOM 541 N THR A 35 -12.779 -0.495 -0.597 1.00 0.00 N ATOM 542 CA THR A 35 -13.789 0.168 0.247 1.00 0.00 C ATOM 543 C THR A 35 -13.501 1.677 0.387 1.00 0.00 C ATOM 544 O THR A 35 -14.424 2.503 0.331 1.00 0.00 O ATOM 545 CB THR A 35 -13.854 -0.487 1.674 1.00 0.00 C ATOM 546 OG1 THR A 35 -12.580 -0.375 2.328 1.00 0.00 O ATOM 547 CG2 THR A 35 -14.264 -1.975 1.616 1.00 0.00 C ATOM 0 H THR A 35 -12.014 -0.915 -0.069 1.00 0.00 H new ATOM 0 HA THR A 35 -14.752 0.039 -0.247 1.00 0.00 H new ATOM 0 HB THR A 35 -14.616 0.052 2.238 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.974 -1.064 1.984 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.295 -2.384 2.626 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.249 -2.063 1.158 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.537 -2.530 1.022 1.00 0.00 H new ATOM 555 N ASP A 36 -12.213 2.023 0.540 1.00 0.00 N ATOM 556 CA ASP A 36 -11.774 3.395 0.859 1.00 0.00 C ATOM 557 C ASP A 36 -10.553 3.755 -0.017 1.00 0.00 C ATOM 558 O ASP A 36 -9.419 3.396 0.323 1.00 0.00 O ATOM 559 CB ASP A 36 -11.421 3.514 2.368 1.00 0.00 C ATOM 560 CG ASP A 36 -11.301 4.970 2.853 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.347 5.663 2.465 1.00 0.00 O ATOM 562 OD2 ASP A 36 -12.180 5.433 3.608 1.00 0.00 O ATOM 0 H ASP A 36 -11.444 1.360 0.446 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.584 4.093 0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.186 3.005 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.480 2.997 2.556 1.00 0.00 H new ATOM 567 N PRO A 37 -10.764 4.455 -1.174 1.00 0.00 N ATOM 568 CA PRO A 37 -9.666 4.867 -2.078 1.00 0.00 C ATOM 569 C PRO A 37 -8.793 6.009 -1.494 1.00 0.00 C ATOM 570 O PRO A 37 -7.690 6.253 -1.980 1.00 0.00 O ATOM 571 CB PRO A 37 -10.398 5.308 -3.386 1.00 0.00 C ATOM 572 CG PRO A 37 -11.831 4.891 -3.201 1.00 0.00 C ATOM 573 CD PRO A 37 -12.069 4.898 -1.712 1.00 0.00 C ATOM 0 HA PRO A 37 -8.957 4.056 -2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.318 6.385 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.960 4.830 -4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.507 5.578 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.008 3.901 -3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.341 5.889 -1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.875 4.222 -1.427 1.00 0.00 H new ATOM 581 N ASP A 38 -9.283 6.660 -0.429 1.00 0.00 N ATOM 582 CA ASP A 38 -8.642 7.853 0.166 1.00 0.00 C ATOM 583 C ASP A 38 -7.497 7.451 1.111 1.00 0.00 C ATOM 584 O ASP A 38 -6.607 8.263 1.394 1.00 0.00 O ATOM 585 CB ASP A 38 -9.681 8.676 0.966 1.00 0.00 C ATOM 586 CG ASP A 38 -10.937 9.022 0.156 1.00 0.00 C ATOM 587 OD1 ASP A 38 -11.846 8.169 0.069 1.00 0.00 O ATOM 588 OD2 ASP A 38 -11.019 10.139 -0.401 1.00 0.00 O ATOM 0 H ASP A 38 -10.138 6.377 0.049 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.239 8.453 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.973 8.115 1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.215 9.599 1.312 1.00 0.00 H new ATOM 593 N TYR A 39 -7.582 6.207 1.643 1.00 0.00 N ATOM 594 CA TYR A 39 -6.611 5.665 2.609 1.00 0.00 C ATOM 595 C TYR A 39 -5.220 5.498 1.942 1.00 0.00 C ATOM 596 O TYR A 39 -4.914 4.448 1.361 1.00 0.00 O ATOM 597 CB TYR A 39 -7.117 4.309 3.211 1.00 0.00 C ATOM 598 CG TYR A 39 -6.613 4.032 4.637 1.00 0.00 C ATOM 599 CD1 TYR A 39 -5.363 3.463 4.863 1.00 0.00 C ATOM 600 CD2 TYR A 39 -7.379 4.377 5.755 1.00 0.00 C ATOM 601 CE1 TYR A 39 -4.900 3.236 6.134 1.00 0.00 C ATOM 602 CE2 TYR A 39 -6.910 4.156 7.032 1.00 0.00 C ATOM 603 CZ TYR A 39 -5.675 3.581 7.213 1.00 0.00 C ATOM 604 OH TYR A 39 -5.204 3.370 8.484 1.00 0.00 O ATOM 0 H TYR A 39 -8.330 5.554 1.410 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.511 6.374 3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.207 4.309 3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.801 3.494 2.560 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.744 3.194 4.019 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.353 4.823 5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.929 2.787 6.285 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -7.510 4.433 7.886 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.445 2.751 8.453 1.00 0.00 H new ATOM 614 N VAL A 40 -4.391 6.554 2.047 1.00 0.00 N ATOM 615 CA VAL A 40 -3.081 6.654 1.360 1.00 0.00 C ATOM 616 C VAL A 40 -2.068 5.617 1.897 1.00 0.00 C ATOM 617 O VAL A 40 -1.326 4.991 1.119 1.00 0.00 O ATOM 618 CB VAL A 40 -2.480 8.104 1.523 1.00 0.00 C ATOM 619 CG1 VAL A 40 -1.122 8.237 0.802 1.00 0.00 C ATOM 620 CG2 VAL A 40 -3.474 9.182 1.029 1.00 0.00 C ATOM 0 H VAL A 40 -4.610 7.372 2.616 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.257 6.445 0.305 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.309 8.267 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.737 9.248 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.415 7.521 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.253 8.036 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.031 10.170 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.697 9.015 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.395 9.121 1.609 1.00 0.00 H new ATOM 630 N GLY A 41 -2.075 5.431 3.235 1.00 0.00 N ATOM 631 CA GLY A 41 -1.104 4.573 3.935 1.00 0.00 C ATOM 632 C GLY A 41 -1.133 3.123 3.477 1.00 0.00 C ATOM 633 O GLY A 41 -0.115 2.420 3.561 1.00 0.00 O ATOM 0 H GLY A 41 -2.754 5.872 3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.102 4.974 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.303 4.611 5.006 1.00 0.00 H new ATOM 637 N THR A 42 -2.308 2.680 2.997 1.00 0.00 N ATOM 638 CA THR A 42 -2.479 1.351 2.408 1.00 0.00 C ATOM 639 C THR A 42 -1.605 1.180 1.161 1.00 0.00 C ATOM 640 O THR A 42 -0.849 0.227 1.083 1.00 0.00 O ATOM 641 CB THR A 42 -3.963 1.093 2.020 1.00 0.00 C ATOM 642 OG1 THR A 42 -4.764 1.131 3.195 1.00 0.00 O ATOM 643 CG2 THR A 42 -4.153 -0.259 1.318 1.00 0.00 C ATOM 0 H THR A 42 -3.162 3.237 3.009 1.00 0.00 H new ATOM 0 HA THR A 42 -2.173 0.629 3.165 1.00 0.00 H new ATOM 0 HB THR A 42 -4.266 1.872 1.320 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.222 1.996 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.205 -0.394 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.556 -0.283 0.406 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.833 -1.062 1.982 1.00 0.00 H new ATOM 651 N TYR A 43 -1.700 2.149 0.229 1.00 0.00 N ATOM 652 CA TYR A 43 -1.107 2.041 -1.117 1.00 0.00 C ATOM 653 C TYR A 43 0.406 1.799 -1.076 1.00 0.00 C ATOM 654 O TYR A 43 0.938 1.015 -1.874 1.00 0.00 O ATOM 655 CB TYR A 43 -1.426 3.299 -1.953 1.00 0.00 C ATOM 656 CG TYR A 43 -2.914 3.424 -2.317 1.00 0.00 C ATOM 657 CD1 TYR A 43 -3.461 2.661 -3.353 1.00 0.00 C ATOM 658 CD2 TYR A 43 -3.767 4.290 -1.632 1.00 0.00 C ATOM 659 CE1 TYR A 43 -4.792 2.762 -3.686 1.00 0.00 C ATOM 660 CE2 TYR A 43 -5.099 4.387 -1.970 1.00 0.00 C ATOM 661 CZ TYR A 43 -5.601 3.622 -2.997 1.00 0.00 C ATOM 662 OH TYR A 43 -6.919 3.721 -3.339 1.00 0.00 O ATOM 0 H TYR A 43 -2.191 3.029 0.389 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.558 1.170 -1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.119 4.184 -1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.835 3.278 -2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.827 1.980 -3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.377 4.893 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.196 2.164 -4.489 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.747 5.062 -1.430 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.231 4.636 -3.176 1.00 0.00 H new ATOM 672 N TYR A 44 1.091 2.503 -0.162 1.00 0.00 N ATOM 673 CA TYR A 44 2.516 2.290 0.096 1.00 0.00 C ATOM 674 C TYR A 44 2.788 0.826 0.497 1.00 0.00 C ATOM 675 O TYR A 44 3.420 0.101 -0.249 1.00 0.00 O ATOM 676 CB TYR A 44 3.018 3.276 1.185 1.00 0.00 C ATOM 677 CG TYR A 44 4.552 3.378 1.254 1.00 0.00 C ATOM 678 CD1 TYR A 44 5.262 4.110 0.296 1.00 0.00 C ATOM 679 CD2 TYR A 44 5.291 2.742 2.260 1.00 0.00 C ATOM 680 CE1 TYR A 44 6.638 4.211 0.347 1.00 0.00 C ATOM 681 CE2 TYR A 44 6.668 2.846 2.307 1.00 0.00 C ATOM 682 CZ TYR A 44 7.333 3.579 1.351 1.00 0.00 C ATOM 683 OH TYR A 44 8.701 3.679 1.405 1.00 0.00 O ATOM 0 H TYR A 44 0.671 3.232 0.415 1.00 0.00 H new ATOM 0 HA TYR A 44 3.070 2.487 -0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.604 4.265 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.638 2.958 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.723 4.605 -0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.776 2.161 3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.167 4.785 -0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.221 2.353 3.093 1.00 0.00 H new ATOM 0 HH TYR A 44 9.036 3.175 2.176 1.00 0.00 H new ATOM 693 N HIS A 45 2.227 0.408 1.645 1.00 0.00 N ATOM 694 CA HIS A 45 2.493 -0.922 2.266 1.00 0.00 C ATOM 695 C HIS A 45 2.000 -2.110 1.407 1.00 0.00 C ATOM 696 O HIS A 45 2.587 -3.193 1.449 1.00 0.00 O ATOM 697 CB HIS A 45 1.883 -0.976 3.691 1.00 0.00 C ATOM 698 CG HIS A 45 2.559 -0.041 4.659 1.00 0.00 C ATOM 699 ND1 HIS A 45 3.355 -0.476 5.689 1.00 0.00 N ATOM 700 CD2 HIS A 45 2.575 1.312 4.729 1.00 0.00 C ATOM 701 CE1 HIS A 45 3.826 0.559 6.349 1.00 0.00 C ATOM 702 NE2 HIS A 45 3.368 1.651 5.786 1.00 0.00 N ATOM 0 H HIS A 45 1.571 0.979 2.179 1.00 0.00 H new ATOM 0 HA HIS A 45 3.576 -1.030 2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 45 0.823 -0.728 3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.952 -1.995 4.071 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.057 1.994 4.071 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.479 0.517 7.208 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.572 2.603 6.090 1.00 0.00 H new ATOM 711 N LEU A 46 0.941 -1.877 0.625 1.00 0.00 N ATOM 712 CA LEU A 46 0.370 -2.877 -0.297 1.00 0.00 C ATOM 713 C LEU A 46 1.291 -3.051 -1.506 1.00 0.00 C ATOM 714 O LEU A 46 1.498 -4.173 -1.982 1.00 0.00 O ATOM 715 CB LEU A 46 -1.056 -2.450 -0.745 1.00 0.00 C ATOM 716 CG LEU A 46 -1.765 -3.349 -1.816 1.00 0.00 C ATOM 717 CD1 LEU A 46 -1.822 -4.843 -1.402 1.00 0.00 C ATOM 718 CD2 LEU A 46 -3.178 -2.812 -2.133 1.00 0.00 C ATOM 0 H LEU A 46 0.449 -0.984 0.610 1.00 0.00 H new ATOM 0 HA LEU A 46 0.288 -3.833 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.692 -2.412 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.998 -1.436 -1.139 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.159 -3.298 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.323 -5.418 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.809 -5.222 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.374 -4.941 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.651 -3.451 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.779 -2.809 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.103 -1.796 -2.521 1.00 0.00 H new ATOM 730 N GLY A 47 1.847 -1.925 -1.984 1.00 0.00 N ATOM 731 CA GLY A 47 2.805 -1.939 -3.079 1.00 0.00 C ATOM 732 C GLY A 47 4.118 -2.575 -2.651 1.00 0.00 C ATOM 733 O GLY A 47 4.705 -3.345 -3.400 1.00 0.00 O ATOM 0 H GLY A 47 1.642 -0.994 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.389 -2.489 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.986 -0.920 -3.421 1.00 0.00 H new ATOM 737 N LYS A 48 4.546 -2.263 -1.408 1.00 0.00 N ATOM 738 CA LYS A 48 5.762 -2.820 -0.788 1.00 0.00 C ATOM 739 C LYS A 48 5.661 -4.346 -0.702 1.00 0.00 C ATOM 740 O LYS A 48 6.641 -5.056 -0.910 1.00 0.00 O ATOM 741 CB LYS A 48 5.981 -2.240 0.640 1.00 0.00 C ATOM 742 CG LYS A 48 6.301 -0.725 0.712 1.00 0.00 C ATOM 743 CD LYS A 48 7.613 -0.299 -0.002 1.00 0.00 C ATOM 744 CE LYS A 48 8.900 -0.898 0.614 1.00 0.00 C ATOM 745 NZ LYS A 48 9.082 -2.338 0.311 1.00 0.00 N ATOM 0 H LYS A 48 4.049 -1.610 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 48 6.610 -2.542 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.085 -2.431 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.797 -2.787 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.470 -0.172 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.363 -0.431 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.555 -0.595 -1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.687 0.788 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.763 -0.344 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.874 -0.762 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.092 -2.536 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.733 -2.907 1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.549 -2.582 -0.548 1.00 0.00 H new ATOM 759 N LEU A 49 4.448 -4.811 -0.382 1.00 0.00 N ATOM 760 CA LEU A 49 4.128 -6.234 -0.276 1.00 0.00 C ATOM 761 C LEU A 49 4.121 -6.899 -1.665 1.00 0.00 C ATOM 762 O LEU A 49 4.610 -8.019 -1.813 1.00 0.00 O ATOM 763 CB LEU A 49 2.780 -6.399 0.462 1.00 0.00 C ATOM 764 CG LEU A 49 2.230 -7.854 0.646 1.00 0.00 C ATOM 765 CD1 LEU A 49 3.305 -8.831 1.183 1.00 0.00 C ATOM 766 CD2 LEU A 49 0.994 -7.836 1.569 1.00 0.00 C ATOM 0 H LEU A 49 3.654 -4.201 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 49 4.897 -6.742 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.880 -5.950 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.029 -5.821 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 49 1.940 -8.222 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.871 -9.825 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.140 -8.874 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.662 -8.482 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.617 -8.851 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.272 -7.432 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.218 -7.212 1.126 1.00 0.00 H new ATOM 778 N TYR A 50 3.581 -6.189 -2.676 1.00 0.00 N ATOM 779 CA TYR A 50 3.624 -6.638 -4.081 1.00 0.00 C ATOM 780 C TYR A 50 5.080 -6.841 -4.546 1.00 0.00 C ATOM 781 O TYR A 50 5.382 -7.825 -5.207 1.00 0.00 O ATOM 782 CB TYR A 50 2.888 -5.639 -5.025 1.00 0.00 C ATOM 783 CG TYR A 50 1.351 -5.723 -5.000 1.00 0.00 C ATOM 784 CD1 TYR A 50 0.701 -6.961 -4.970 1.00 0.00 C ATOM 785 CD2 TYR A 50 0.553 -4.574 -5.041 1.00 0.00 C ATOM 786 CE1 TYR A 50 -0.676 -7.045 -4.977 1.00 0.00 C ATOM 787 CE2 TYR A 50 -0.824 -4.662 -5.054 1.00 0.00 C ATOM 788 CZ TYR A 50 -1.429 -5.894 -5.020 1.00 0.00 C ATOM 789 OH TYR A 50 -2.802 -5.977 -5.027 1.00 0.00 O ATOM 0 H TYR A 50 3.107 -5.296 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 50 3.103 -7.594 -4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.185 -4.625 -4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.229 -5.811 -6.046 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.288 -7.867 -4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.023 -3.602 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.161 -8.010 -4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.424 -3.765 -5.091 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.080 -6.838 -4.651 1.00 0.00 H new ATOM 799 N GLU A 51 5.976 -5.924 -4.147 1.00 0.00 N ATOM 800 CA GLU A 51 7.421 -6.005 -4.461 1.00 0.00 C ATOM 801 C GLU A 51 8.045 -7.305 -3.900 1.00 0.00 C ATOM 802 O GLU A 51 8.885 -7.926 -4.556 1.00 0.00 O ATOM 803 CB GLU A 51 8.165 -4.768 -3.897 1.00 0.00 C ATOM 804 CG GLU A 51 7.678 -3.423 -4.468 1.00 0.00 C ATOM 805 CD GLU A 51 8.343 -2.189 -3.831 1.00 0.00 C ATOM 806 OE1 GLU A 51 8.660 -2.217 -2.623 1.00 0.00 O ATOM 807 OE2 GLU A 51 8.526 -1.165 -4.519 1.00 0.00 O ATOM 0 H GLU A 51 5.724 -5.103 -3.597 1.00 0.00 H new ATOM 0 HA GLU A 51 7.528 -6.020 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.051 -4.752 -2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.230 -4.873 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.864 -3.408 -5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.599 -3.352 -4.330 1.00 0.00 H new ATOM 814 N ARG A 52 7.585 -7.712 -2.691 1.00 0.00 N ATOM 815 CA ARG A 52 8.038 -8.958 -2.020 1.00 0.00 C ATOM 816 C ARG A 52 7.609 -10.194 -2.840 1.00 0.00 C ATOM 817 O ARG A 52 8.342 -11.184 -2.933 1.00 0.00 O ATOM 818 CB ARG A 52 7.451 -9.065 -0.577 1.00 0.00 C ATOM 819 CG ARG A 52 7.655 -7.816 0.309 1.00 0.00 C ATOM 820 CD ARG A 52 7.029 -7.970 1.709 1.00 0.00 C ATOM 821 NE ARG A 52 6.992 -6.706 2.469 1.00 0.00 N ATOM 822 CZ ARG A 52 6.605 -6.591 3.753 1.00 0.00 C ATOM 823 NH1 ARG A 52 6.215 -7.654 4.445 1.00 0.00 N ATOM 824 NH2 ARG A 52 6.604 -5.408 4.333 1.00 0.00 N ATOM 0 H ARG A 52 6.893 -7.189 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 52 9.125 -8.923 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.383 -9.268 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.905 -9.922 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.722 -7.620 0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.218 -6.949 -0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.014 -8.355 1.606 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.595 -8.710 2.274 1.00 0.00 H new ATOM 0 HE ARG A 52 7.281 -5.856 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.206 -8.574 4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.925 -7.551 5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.896 -4.583 3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.311 -5.317 5.306 1.00 0.00 H new ATOM 838 N LEU A 53 6.404 -10.102 -3.434 1.00 0.00 N ATOM 839 CA LEU A 53 5.772 -11.197 -4.198 1.00 0.00 C ATOM 840 C LEU A 53 6.205 -11.206 -5.692 1.00 0.00 C ATOM 841 O LEU A 53 5.594 -11.915 -6.495 1.00 0.00 O ATOM 842 CB LEU A 53 4.228 -11.047 -4.092 1.00 0.00 C ATOM 843 CG LEU A 53 3.638 -10.926 -2.646 1.00 0.00 C ATOM 844 CD1 LEU A 53 2.125 -10.609 -2.680 1.00 0.00 C ATOM 845 CD2 LEU A 53 3.930 -12.193 -1.800 1.00 0.00 C ATOM 0 H LEU A 53 5.835 -9.256 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 53 6.099 -12.145 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.931 -10.164 -4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.767 -11.907 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 53 4.140 -10.089 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.746 -10.532 -1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.963 -9.665 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.598 -11.407 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.505 -12.071 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.483 -13.063 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.008 -12.337 -1.720 1.00 0.00 H new ATOM 857 N ASP A 54 7.253 -10.412 -6.052 1.00 0.00 N ATOM 858 CA ASP A 54 7.703 -10.192 -7.468 1.00 0.00 C ATOM 859 C ASP A 54 6.614 -9.536 -8.350 1.00 0.00 C ATOM 860 O ASP A 54 6.765 -9.449 -9.575 1.00 0.00 O ATOM 861 CB ASP A 54 8.237 -11.504 -8.139 1.00 0.00 C ATOM 862 CG ASP A 54 9.667 -11.871 -7.707 1.00 0.00 C ATOM 863 OD1 ASP A 54 9.841 -12.482 -6.637 1.00 0.00 O ATOM 864 OD2 ASP A 54 10.630 -11.532 -8.432 1.00 0.00 O ATOM 0 H ASP A 54 7.815 -9.903 -5.370 1.00 0.00 H new ATOM 0 HA ASP A 54 8.534 -9.490 -7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.568 -12.328 -7.892 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.211 -11.386 -9.222 1.00 0.00 H new ATOM 869 N ARG A 55 5.555 -9.025 -7.709 1.00 0.00 N ATOM 870 CA ARG A 55 4.441 -8.338 -8.383 1.00 0.00 C ATOM 871 C ARG A 55 4.790 -6.845 -8.518 1.00 0.00 C ATOM 872 O ARG A 55 4.069 -5.967 -8.041 1.00 0.00 O ATOM 873 CB ARG A 55 3.108 -8.559 -7.610 1.00 0.00 C ATOM 874 CG ARG A 55 2.693 -10.036 -7.431 1.00 0.00 C ATOM 875 CD ARG A 55 2.614 -10.804 -8.765 1.00 0.00 C ATOM 876 NE ARG A 55 1.708 -10.165 -9.739 1.00 0.00 N ATOM 877 CZ ARG A 55 1.593 -10.503 -11.032 1.00 0.00 C ATOM 878 NH1 ARG A 55 2.335 -11.465 -11.564 1.00 0.00 N ATOM 879 NH2 ARG A 55 0.751 -9.839 -11.800 1.00 0.00 N ATOM 0 H ARG A 55 5.445 -9.077 -6.696 1.00 0.00 H new ATOM 0 HA ARG A 55 4.295 -8.754 -9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.197 -8.100 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.310 -8.034 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.408 -10.532 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.723 -10.078 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.612 -10.876 -9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.275 -11.822 -8.574 1.00 0.00 H new ATOM 0 HE ARG A 55 1.120 -9.403 -9.401 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.011 -11.966 -10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.230 -11.704 -12.550 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.196 -9.078 -11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.655 -10.087 -12.785 1.00 0.00 H new ATOM 893 N THR A 56 5.930 -6.584 -9.185 1.00 0.00 N ATOM 894 CA THR A 56 6.497 -5.241 -9.343 1.00 0.00 C ATOM 895 C THR A 56 5.552 -4.343 -10.161 1.00 0.00 C ATOM 896 O THR A 56 5.353 -3.187 -9.813 1.00 0.00 O ATOM 897 CB THR A 56 7.906 -5.315 -10.023 1.00 0.00 C ATOM 898 OG1 THR A 56 8.766 -6.198 -9.275 1.00 0.00 O ATOM 899 CG2 THR A 56 8.574 -3.931 -10.150 1.00 0.00 C ATOM 0 H THR A 56 6.486 -7.312 -9.633 1.00 0.00 H new ATOM 0 HA THR A 56 6.614 -4.802 -8.352 1.00 0.00 H new ATOM 0 HB THR A 56 7.755 -5.700 -11.032 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.645 -6.241 -9.706 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.548 -4.039 -10.628 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.944 -3.277 -10.754 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.703 -3.497 -9.159 1.00 0.00 H new ATOM 907 N ASP A 57 4.928 -4.923 -11.202 1.00 0.00 N ATOM 908 CA ASP A 57 3.990 -4.196 -12.091 1.00 0.00 C ATOM 909 C ASP A 57 2.766 -3.720 -11.287 1.00 0.00 C ATOM 910 O ASP A 57 2.308 -2.577 -11.439 1.00 0.00 O ATOM 911 CB ASP A 57 3.547 -5.109 -13.262 1.00 0.00 C ATOM 912 CG ASP A 57 4.728 -5.618 -14.102 1.00 0.00 C ATOM 913 OD1 ASP A 57 5.320 -6.657 -13.741 1.00 0.00 O ATOM 914 OD2 ASP A 57 5.094 -4.971 -15.109 1.00 0.00 O ATOM 0 H ASP A 57 5.055 -5.903 -11.454 1.00 0.00 H new ATOM 0 HA ASP A 57 4.497 -3.324 -12.505 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.997 -5.961 -12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.860 -4.559 -13.905 1.00 0.00 H new ATOM 919 N ASP A 58 2.278 -4.615 -10.405 1.00 0.00 N ATOM 920 CA ASP A 58 1.164 -4.328 -9.480 1.00 0.00 C ATOM 921 C ASP A 58 1.548 -3.212 -8.506 1.00 0.00 C ATOM 922 O ASP A 58 0.743 -2.332 -8.233 1.00 0.00 O ATOM 923 CB ASP A 58 0.767 -5.601 -8.687 1.00 0.00 C ATOM 924 CG ASP A 58 0.219 -6.714 -9.583 1.00 0.00 C ATOM 925 OD1 ASP A 58 1.015 -7.345 -10.300 1.00 0.00 O ATOM 926 OD2 ASP A 58 -1.006 -6.948 -9.585 1.00 0.00 O ATOM 0 H ASP A 58 2.647 -5.561 -10.314 1.00 0.00 H new ATOM 0 HA ASP A 58 0.310 -4.003 -10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.638 -5.972 -8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.016 -5.339 -7.941 1.00 0.00 H new ATOM 931 N ALA A 59 2.800 -3.271 -8.002 1.00 0.00 N ATOM 932 CA ALA A 59 3.354 -2.280 -7.064 1.00 0.00 C ATOM 933 C ALA A 59 3.316 -0.870 -7.679 1.00 0.00 C ATOM 934 O ALA A 59 2.798 0.058 -7.066 1.00 0.00 O ATOM 935 CB ALA A 59 4.790 -2.664 -6.651 1.00 0.00 C ATOM 0 H ALA A 59 3.457 -4.015 -8.239 1.00 0.00 H new ATOM 0 HA ALA A 59 2.735 -2.274 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.181 -1.919 -5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.780 -3.640 -6.167 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.425 -2.704 -7.536 1.00 0.00 H new ATOM 941 N ILE A 60 3.818 -0.760 -8.928 1.00 0.00 N ATOM 942 CA ILE A 60 3.883 0.515 -9.689 1.00 0.00 C ATOM 943 C ILE A 60 2.474 1.134 -9.842 1.00 0.00 C ATOM 944 O ILE A 60 2.292 2.344 -9.688 1.00 0.00 O ATOM 945 CB ILE A 60 4.521 0.307 -11.127 1.00 0.00 C ATOM 946 CG1 ILE A 60 5.924 -0.376 -11.033 1.00 0.00 C ATOM 947 CG2 ILE A 60 4.615 1.641 -11.913 1.00 0.00 C ATOM 948 CD1 ILE A 60 6.940 0.355 -10.185 1.00 0.00 C ATOM 0 H ILE A 60 4.193 -1.556 -9.443 1.00 0.00 H new ATOM 0 HA ILE A 60 4.520 1.193 -9.121 1.00 0.00 H new ATOM 0 HB ILE A 60 3.855 -0.357 -11.678 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.795 -1.381 -10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.326 -0.484 -12.040 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.057 1.456 -12.892 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.617 2.060 -12.039 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.237 2.345 -11.361 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.879 -0.199 -10.184 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.107 1.351 -10.595 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.568 0.441 -9.164 1.00 0.00 H new ATOM 960 N ASP A 61 1.490 0.261 -10.119 1.00 0.00 N ATOM 961 CA ASP A 61 0.073 0.637 -10.300 1.00 0.00 C ATOM 962 C ASP A 61 -0.537 1.138 -8.968 1.00 0.00 C ATOM 963 O ASP A 61 -1.286 2.120 -8.952 1.00 0.00 O ATOM 964 CB ASP A 61 -0.725 -0.574 -10.861 1.00 0.00 C ATOM 965 CG ASP A 61 -2.218 -0.272 -11.101 1.00 0.00 C ATOM 966 OD1 ASP A 61 -2.560 0.282 -12.172 1.00 0.00 O ATOM 967 OD2 ASP A 61 -3.054 -0.578 -10.224 1.00 0.00 O ATOM 0 H ASP A 61 1.657 -0.740 -10.225 1.00 0.00 H new ATOM 0 HA ASP A 61 0.013 1.455 -11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.272 -0.893 -11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.639 -1.409 -10.165 1.00 0.00 H new ATOM 972 N THR A 62 -0.181 0.459 -7.858 1.00 0.00 N ATOM 973 CA THR A 62 -0.680 0.780 -6.500 1.00 0.00 C ATOM 974 C THR A 62 -0.118 2.126 -6.013 1.00 0.00 C ATOM 975 O THR A 62 -0.828 2.915 -5.375 1.00 0.00 O ATOM 976 CB THR A 62 -0.301 -0.344 -5.474 1.00 0.00 C ATOM 977 OG1 THR A 62 -0.629 -1.621 -6.019 1.00 0.00 O ATOM 978 CG2 THR A 62 -1.037 -0.186 -4.132 1.00 0.00 C ATOM 0 H THR A 62 0.464 -0.331 -7.876 1.00 0.00 H new ATOM 0 HA THR A 62 -1.766 0.847 -6.563 1.00 0.00 H new ATOM 0 HB THR A 62 0.770 -0.259 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.047 -1.878 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.740 -0.989 -3.457 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.780 0.776 -3.687 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.113 -0.233 -4.299 1.00 0.00 H new ATOM 986 N TYR A 63 1.167 2.367 -6.328 1.00 0.00 N ATOM 987 CA TYR A 63 1.848 3.629 -6.012 1.00 0.00 C ATOM 988 C TYR A 63 1.260 4.768 -6.851 1.00 0.00 C ATOM 989 O TYR A 63 1.086 5.857 -6.343 1.00 0.00 O ATOM 990 CB TYR A 63 3.376 3.522 -6.242 1.00 0.00 C ATOM 991 CG TYR A 63 4.099 2.519 -5.325 1.00 0.00 C ATOM 992 CD1 TYR A 63 3.817 2.449 -3.958 1.00 0.00 C ATOM 993 CD2 TYR A 63 5.078 1.658 -5.821 1.00 0.00 C ATOM 994 CE1 TYR A 63 4.482 1.566 -3.137 1.00 0.00 C ATOM 995 CE2 TYR A 63 5.739 0.772 -5.000 1.00 0.00 C ATOM 996 CZ TYR A 63 5.437 0.732 -3.663 1.00 0.00 C ATOM 997 OH TYR A 63 6.096 -0.140 -2.844 1.00 0.00 O ATOM 0 H TYR A 63 1.760 1.691 -6.809 1.00 0.00 H new ATOM 0 HA TYR A 63 1.687 3.843 -4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.554 3.238 -7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.820 4.507 -6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.064 3.099 -3.538 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.323 1.687 -6.872 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.253 1.530 -2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.491 0.112 -5.407 1.00 0.00 H new ATOM 0 HH TYR A 63 5.735 -0.072 -1.935 1.00 0.00 H new ATOM 1007 N ALA A 64 0.960 4.484 -8.140 1.00 0.00 N ATOM 1008 CA ALA A 64 0.303 5.439 -9.063 1.00 0.00 C ATOM 1009 C ALA A 64 -1.078 5.878 -8.521 1.00 0.00 C ATOM 1010 O ALA A 64 -1.425 7.062 -8.558 1.00 0.00 O ATOM 1011 CB ALA A 64 0.166 4.811 -10.461 1.00 0.00 C ATOM 0 H ALA A 64 1.168 3.583 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 64 0.927 6.330 -9.138 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.318 5.520 -11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.155 4.563 -10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.436 3.905 -10.395 1.00 0.00 H new ATOM 1017 N GLN A 65 -1.835 4.894 -8.001 1.00 0.00 N ATOM 1018 CA GLN A 65 -3.130 5.120 -7.323 1.00 0.00 C ATOM 1019 C GLN A 65 -2.939 5.979 -6.063 1.00 0.00 C ATOM 1020 O GLN A 65 -3.714 6.911 -5.794 1.00 0.00 O ATOM 1021 CB GLN A 65 -3.779 3.756 -6.938 1.00 0.00 C ATOM 1022 CG GLN A 65 -4.342 2.941 -8.125 1.00 0.00 C ATOM 1023 CD GLN A 65 -5.810 3.240 -8.477 1.00 0.00 C ATOM 1024 OE1 GLN A 65 -6.513 2.363 -8.970 1.00 0.00 O ATOM 1025 NE2 GLN A 65 -6.279 4.467 -8.269 1.00 0.00 N ATOM 0 H GLN A 65 -1.565 3.911 -8.039 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.789 5.650 -8.011 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.035 3.150 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.586 3.942 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.726 3.133 -9.004 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.247 1.880 -7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.677 5.180 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.241 4.695 -8.521 1.00 0.00 H new ATOM 1034 N GLY A 66 -1.895 5.622 -5.304 1.00 0.00 N ATOM 1035 CA GLY A 66 -1.516 6.321 -4.089 1.00 0.00 C ATOM 1036 C GLY A 66 -1.162 7.779 -4.323 1.00 0.00 C ATOM 1037 O GLY A 66 -1.539 8.619 -3.533 1.00 0.00 O ATOM 0 H GLY A 66 -1.290 4.831 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.336 6.263 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.663 5.815 -3.637 1.00 0.00 H new ATOM 1041 N ILE A 67 -0.441 8.056 -5.417 1.00 0.00 N ATOM 1042 CA ILE A 67 0.019 9.411 -5.807 1.00 0.00 C ATOM 1043 C ILE A 67 -1.168 10.380 -5.953 1.00 0.00 C ATOM 1044 O ILE A 67 -1.113 11.510 -5.456 1.00 0.00 O ATOM 1045 CB ILE A 67 0.851 9.328 -7.152 1.00 0.00 C ATOM 1046 CG1 ILE A 67 2.251 8.681 -6.889 1.00 0.00 C ATOM 1047 CG2 ILE A 67 1.000 10.698 -7.870 1.00 0.00 C ATOM 1048 CD1 ILE A 67 3.038 8.346 -8.140 1.00 0.00 C ATOM 0 H ILE A 67 -0.151 7.333 -6.076 1.00 0.00 H new ATOM 0 HA ILE A 67 0.663 9.801 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 67 0.282 8.692 -7.830 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.842 9.362 -6.276 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.112 7.769 -6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.580 10.569 -8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.013 11.087 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.511 11.400 -7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.994 7.902 -7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.473 7.638 -8.747 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.214 9.256 -8.714 1.00 0.00 H new ATOM 1060 N GLU A 68 -2.246 9.887 -6.586 1.00 0.00 N ATOM 1061 CA GLU A 68 -3.474 10.668 -6.845 1.00 0.00 C ATOM 1062 C GLU A 68 -4.086 11.167 -5.530 1.00 0.00 C ATOM 1063 O GLU A 68 -4.417 12.343 -5.378 1.00 0.00 O ATOM 1064 CB GLU A 68 -4.507 9.794 -7.598 1.00 0.00 C ATOM 1065 CG GLU A 68 -3.980 9.153 -8.893 1.00 0.00 C ATOM 1066 CD GLU A 68 -5.036 8.307 -9.626 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -5.177 7.104 -9.308 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -5.738 8.840 -10.515 1.00 0.00 O ATOM 0 H GLU A 68 -2.293 8.930 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.210 11.530 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.850 9.004 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.375 10.407 -7.839 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.626 9.938 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.121 8.525 -8.656 1.00 0.00 H new ATOM 1075 N VAL A 69 -4.209 10.234 -4.581 1.00 0.00 N ATOM 1076 CA VAL A 69 -4.821 10.488 -3.270 1.00 0.00 C ATOM 1077 C VAL A 69 -3.809 11.086 -2.265 1.00 0.00 C ATOM 1078 O VAL A 69 -4.206 11.638 -1.260 1.00 0.00 O ATOM 1079 CB VAL A 69 -5.526 9.201 -2.706 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -6.666 8.745 -3.657 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.524 8.050 -2.451 1.00 0.00 C ATOM 0 H VAL A 69 -3.885 9.274 -4.700 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.596 11.241 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.959 9.463 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.143 7.853 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.404 9.542 -3.748 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.252 8.520 -4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.057 7.183 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.031 7.783 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.777 8.372 -1.725 1.00 0.00 H new ATOM 1091 N ALA A 70 -2.505 10.938 -2.517 1.00 0.00 N ATOM 1092 CA ALA A 70 -1.443 11.457 -1.617 1.00 0.00 C ATOM 1093 C ALA A 70 -1.303 12.975 -1.757 1.00 0.00 C ATOM 1094 O ALA A 70 -1.193 13.697 -0.767 1.00 0.00 O ATOM 1095 CB ALA A 70 -0.108 10.780 -1.911 1.00 0.00 C ATOM 0 H ALA A 70 -2.146 10.459 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.733 11.228 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.656 11.175 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.204 9.705 -1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.180 10.976 -2.944 1.00 0.00 H new ATOM 1101 N ARG A 71 -1.281 13.437 -3.014 1.00 0.00 N ATOM 1102 CA ARG A 71 -1.165 14.863 -3.347 1.00 0.00 C ATOM 1103 C ARG A 71 -2.420 15.646 -2.909 1.00 0.00 C ATOM 1104 O ARG A 71 -2.315 16.803 -2.485 1.00 0.00 O ATOM 1105 CB ARG A 71 -0.916 15.045 -4.873 1.00 0.00 C ATOM 1106 CG ARG A 71 -2.069 14.560 -5.776 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.794 14.731 -7.273 1.00 0.00 C ATOM 1108 NE ARG A 71 -2.999 14.448 -8.074 1.00 0.00 N ATOM 1109 CZ ARG A 71 -3.175 14.802 -9.356 1.00 0.00 C ATOM 1110 NH1 ARG A 71 -2.235 15.476 -10.014 1.00 0.00 N ATOM 1111 NH2 ARG A 71 -4.298 14.488 -9.973 1.00 0.00 N ATOM 0 H ARG A 71 -1.343 12.830 -3.832 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.312 15.266 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.734 16.101 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.008 14.507 -5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.262 13.507 -5.569 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.976 15.107 -5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.455 15.748 -7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.988 14.063 -7.576 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.759 13.943 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.366 15.730 -9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.383 15.738 -10.989 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.028 13.978 -9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.436 14.755 -10.948 1.00 0.00 H new ATOM 1125 N GLU A 72 -3.601 15.015 -3.043 1.00 0.00 N ATOM 1126 CA GLU A 72 -4.888 15.657 -2.732 1.00 0.00 C ATOM 1127 C GLU A 72 -5.343 15.405 -1.271 1.00 0.00 C ATOM 1128 O GLU A 72 -5.523 16.356 -0.509 1.00 0.00 O ATOM 1129 CB GLU A 72 -5.932 15.182 -3.777 1.00 0.00 C ATOM 1130 CG GLU A 72 -5.610 15.671 -5.214 1.00 0.00 C ATOM 1131 CD GLU A 72 -6.500 15.079 -6.317 1.00 0.00 C ATOM 1132 OE1 GLU A 72 -7.705 15.420 -6.368 1.00 0.00 O ATOM 1133 OE2 GLU A 72 -5.995 14.304 -7.166 1.00 0.00 O ATOM 0 H GLU A 72 -3.688 14.052 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.778 16.739 -2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.976 14.093 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.919 15.543 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.699 16.757 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.571 15.431 -5.439 1.00 0.00 H new ATOM 1140 N GLU A 73 -5.451 14.119 -0.870 1.00 0.00 N ATOM 1141 CA GLU A 73 -6.029 13.720 0.448 1.00 0.00 C ATOM 1142 C GLU A 73 -4.944 13.683 1.559 1.00 0.00 C ATOM 1143 O GLU A 73 -5.198 14.101 2.699 1.00 0.00 O ATOM 1144 CB GLU A 73 -6.744 12.336 0.346 1.00 0.00 C ATOM 1145 CG GLU A 73 -7.669 12.157 -0.882 1.00 0.00 C ATOM 1146 CD GLU A 73 -8.713 13.275 -1.052 1.00 0.00 C ATOM 1147 OE1 GLU A 73 -9.680 13.324 -0.268 1.00 0.00 O ATOM 1148 OE2 GLU A 73 -8.578 14.116 -1.973 1.00 0.00 O ATOM 0 H GLU A 73 -5.145 13.330 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.766 14.475 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.985 11.554 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.334 12.183 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.055 12.108 -1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.187 11.201 -0.797 1.00 0.00 H new ATOM 1155 N GLY A 74 -3.742 13.172 1.220 1.00 0.00 N ATOM 1156 CA GLY A 74 -2.619 13.088 2.175 1.00 0.00 C ATOM 1157 C GLY A 74 -1.742 14.340 2.147 1.00 0.00 C ATOM 1158 O GLY A 74 -2.171 15.380 1.633 1.00 0.00 O ATOM 0 H GLY A 74 -3.525 12.811 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.011 12.943 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -2.010 12.215 1.941 1.00 0.00 H new ATOM 1162 N THR A 75 -0.512 14.253 2.698 1.00 0.00 N ATOM 1163 CA THR A 75 0.466 15.373 2.656 1.00 0.00 C ATOM 1164 C THR A 75 1.556 15.119 1.592 1.00 0.00 C ATOM 1165 O THR A 75 1.598 14.045 0.970 1.00 0.00 O ATOM 1166 CB THR A 75 1.135 15.624 4.052 1.00 0.00 C ATOM 1167 OG1 THR A 75 1.837 14.450 4.487 1.00 0.00 O ATOM 1168 CG2 THR A 75 0.108 16.040 5.123 1.00 0.00 C ATOM 0 H THR A 75 -0.168 13.421 3.178 1.00 0.00 H new ATOM 0 HA THR A 75 -0.095 16.267 2.385 1.00 0.00 H new ATOM 0 HB THR A 75 1.838 16.448 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 75 1.520 13.673 3.981 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.618 16.203 6.072 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.387 16.961 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.635 15.251 5.241 1.00 0.00 H new ATOM 1176 N GLN A 76 2.428 16.132 1.396 1.00 0.00 N ATOM 1177 CA GLN A 76 3.569 16.074 0.452 1.00 0.00 C ATOM 1178 C GLN A 76 4.529 14.910 0.773 1.00 0.00 C ATOM 1179 O GLN A 76 5.159 14.361 -0.141 1.00 0.00 O ATOM 1180 CB GLN A 76 4.320 17.444 0.449 1.00 0.00 C ATOM 1181 CG GLN A 76 5.643 17.512 -0.366 1.00 0.00 C ATOM 1182 CD GLN A 76 5.498 17.352 -1.893 1.00 0.00 C ATOM 1183 OE1 GLN A 76 4.589 16.703 -2.394 1.00 0.00 O ATOM 1184 NE2 GLN A 76 6.420 17.933 -2.643 1.00 0.00 N ATOM 0 H GLN A 76 2.360 17.021 1.892 1.00 0.00 H new ATOM 0 HA GLN A 76 3.175 15.883 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.641 18.203 0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.542 17.713 1.482 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.124 18.469 -0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.314 16.735 -0.000 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.169 18.469 -2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.382 17.844 -3.658 1.00 0.00 H new ATOM 1193 N LYS A 77 4.624 14.541 2.071 1.00 0.00 N ATOM 1194 CA LYS A 77 5.436 13.391 2.519 1.00 0.00 C ATOM 1195 C LYS A 77 4.982 12.109 1.804 1.00 0.00 C ATOM 1196 O LYS A 77 5.791 11.429 1.177 1.00 0.00 O ATOM 1197 CB LYS A 77 5.331 13.198 4.057 1.00 0.00 C ATOM 1198 CG LYS A 77 6.097 11.961 4.600 1.00 0.00 C ATOM 1199 CD LYS A 77 6.004 11.779 6.142 1.00 0.00 C ATOM 1200 CE LYS A 77 6.873 12.773 6.945 1.00 0.00 C ATOM 1201 NZ LYS A 77 6.416 14.183 6.841 1.00 0.00 N ATOM 0 H LYS A 77 4.145 15.027 2.829 1.00 0.00 H new ATOM 0 HA LYS A 77 6.476 13.596 2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.712 14.092 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.279 13.108 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.708 11.065 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.147 12.045 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.964 11.891 6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.304 10.762 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.874 12.477 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.903 12.707 6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.626 14.682 7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.910 14.651 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.391 14.204 6.667 1.00 0.00 H new ATOM 1215 N ASP A 78 3.658 11.860 1.849 1.00 0.00 N ATOM 1216 CA ASP A 78 3.029 10.646 1.290 1.00 0.00 C ATOM 1217 C ASP A 78 3.257 10.586 -0.218 1.00 0.00 C ATOM 1218 O ASP A 78 3.589 9.532 -0.759 1.00 0.00 O ATOM 1219 CB ASP A 78 1.510 10.625 1.588 1.00 0.00 C ATOM 1220 CG ASP A 78 1.205 10.585 3.089 1.00 0.00 C ATOM 1221 OD1 ASP A 78 1.134 11.659 3.719 1.00 0.00 O ATOM 1222 OD2 ASP A 78 1.042 9.477 3.653 1.00 0.00 O ATOM 0 H ASP A 78 2.990 12.501 2.278 1.00 0.00 H new ATOM 0 HA ASP A 78 3.488 9.777 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.045 11.508 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.061 9.756 1.106 1.00 0.00 H new ATOM 1227 N LEU A 79 3.070 11.753 -0.873 1.00 0.00 N ATOM 1228 CA LEU A 79 3.262 11.905 -2.321 1.00 0.00 C ATOM 1229 C LEU A 79 4.693 11.520 -2.727 1.00 0.00 C ATOM 1230 O LEU A 79 4.894 10.711 -3.640 1.00 0.00 O ATOM 1231 CB LEU A 79 2.941 13.362 -2.762 1.00 0.00 C ATOM 1232 CG LEU A 79 3.045 13.644 -4.296 1.00 0.00 C ATOM 1233 CD1 LEU A 79 2.085 12.740 -5.097 1.00 0.00 C ATOM 1234 CD2 LEU A 79 2.798 15.135 -4.608 1.00 0.00 C ATOM 0 H LEU A 79 2.782 12.613 -0.407 1.00 0.00 H new ATOM 0 HA LEU A 79 2.573 11.230 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.931 13.607 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.619 14.038 -2.240 1.00 0.00 H new ATOM 0 HG LEU A 79 4.062 13.405 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.181 12.960 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.336 11.694 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.059 12.926 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.877 15.300 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.801 15.417 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.541 15.743 -4.092 1.00 0.00 H new ATOM 1246 N SER A 80 5.670 12.080 -1.996 1.00 0.00 N ATOM 1247 CA SER A 80 7.098 11.875 -2.247 1.00 0.00 C ATOM 1248 C SER A 80 7.486 10.394 -2.073 1.00 0.00 C ATOM 1249 O SER A 80 8.254 9.860 -2.874 1.00 0.00 O ATOM 1250 CB SER A 80 7.936 12.781 -1.303 1.00 0.00 C ATOM 1251 OG SER A 80 9.322 12.722 -1.616 1.00 0.00 O ATOM 0 H SER A 80 5.483 12.695 -1.204 1.00 0.00 H new ATOM 0 HA SER A 80 7.311 12.151 -3.280 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.588 13.811 -1.382 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.782 12.471 -0.269 1.00 0.00 H new ATOM 0 HG SER A 80 9.820 13.304 -1.005 1.00 0.00 H new ATOM 1257 N GLU A 81 6.902 9.744 -1.046 1.00 0.00 N ATOM 1258 CA GLU A 81 7.165 8.328 -0.716 1.00 0.00 C ATOM 1259 C GLU A 81 6.707 7.383 -1.838 1.00 0.00 C ATOM 1260 O GLU A 81 7.455 6.499 -2.255 1.00 0.00 O ATOM 1261 CB GLU A 81 6.464 7.945 0.623 1.00 0.00 C ATOM 1262 CG GLU A 81 6.996 8.689 1.873 1.00 0.00 C ATOM 1263 CD GLU A 81 8.380 8.234 2.383 1.00 0.00 C ATOM 1264 OE1 GLU A 81 9.349 8.175 1.591 1.00 0.00 O ATOM 1265 OE2 GLU A 81 8.507 7.940 3.590 1.00 0.00 O ATOM 0 H GLU A 81 6.231 10.189 -0.419 1.00 0.00 H new ATOM 0 HA GLU A 81 8.243 8.214 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.396 8.143 0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.576 6.872 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.045 9.754 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.274 8.568 2.680 1.00 0.00 H new ATOM 1272 N LEU A 82 5.480 7.596 -2.317 1.00 0.00 N ATOM 1273 CA LEU A 82 4.841 6.747 -3.345 1.00 0.00 C ATOM 1274 C LEU A 82 5.504 6.914 -4.731 1.00 0.00 C ATOM 1275 O LEU A 82 5.657 5.937 -5.475 1.00 0.00 O ATOM 1276 CB LEU A 82 3.326 7.075 -3.370 1.00 0.00 C ATOM 1277 CG LEU A 82 2.551 6.614 -2.080 1.00 0.00 C ATOM 1278 CD1 LEU A 82 1.284 7.438 -1.829 1.00 0.00 C ATOM 1279 CD2 LEU A 82 2.209 5.114 -2.151 1.00 0.00 C ATOM 0 H LEU A 82 4.890 8.367 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 82 4.977 5.696 -3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.199 8.151 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.876 6.600 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 82 3.220 6.786 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.788 7.078 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.551 8.487 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.609 7.336 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.674 4.820 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.582 4.925 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.129 4.535 -2.233 1.00 0.00 H new ATOM 1291 N GLN A 83 5.914 8.157 -5.046 1.00 0.00 N ATOM 1292 CA GLN A 83 6.671 8.476 -6.279 1.00 0.00 C ATOM 1293 C GLN A 83 8.071 7.829 -6.244 1.00 0.00 C ATOM 1294 O GLN A 83 8.536 7.266 -7.244 1.00 0.00 O ATOM 1295 CB GLN A 83 6.809 10.014 -6.445 1.00 0.00 C ATOM 1296 CG GLN A 83 5.485 10.750 -6.732 1.00 0.00 C ATOM 1297 CD GLN A 83 5.607 12.278 -6.770 1.00 0.00 C ATOM 1298 OE1 GLN A 83 4.895 12.944 -7.517 1.00 0.00 O ATOM 1299 NE2 GLN A 83 6.463 12.846 -5.931 1.00 0.00 N ATOM 0 H GLN A 83 5.732 8.969 -4.457 1.00 0.00 H new ATOM 0 HA GLN A 83 6.120 8.072 -7.128 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.249 10.426 -5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 83 7.506 10.217 -7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.091 10.405 -7.688 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.757 10.474 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.041 12.267 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 83 6.543 13.862 -5.894 1.00 0.00 H new ATOM 1308 N ASP A 84 8.724 7.916 -5.074 1.00 0.00 N ATOM 1309 CA ASP A 84 10.094 7.412 -4.879 1.00 0.00 C ATOM 1310 C ASP A 84 10.122 5.881 -4.892 1.00 0.00 C ATOM 1311 O ASP A 84 11.053 5.275 -5.430 1.00 0.00 O ATOM 1312 CB ASP A 84 10.681 7.957 -3.556 1.00 0.00 C ATOM 1313 CG ASP A 84 12.150 7.565 -3.332 1.00 0.00 C ATOM 1314 OD1 ASP A 84 13.007 7.966 -4.149 1.00 0.00 O ATOM 1315 OD2 ASP A 84 12.463 6.881 -2.333 1.00 0.00 O ATOM 0 H ASP A 84 8.319 8.337 -4.238 1.00 0.00 H new ATOM 0 HA ASP A 84 10.710 7.765 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.598 9.044 -3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.083 7.588 -2.723 1.00 0.00 H new ATOM 1320 N ALA A 85 9.075 5.279 -4.315 1.00 0.00 N ATOM 1321 CA ALA A 85 8.953 3.823 -4.187 1.00 0.00 C ATOM 1322 C ALA A 85 8.774 3.146 -5.555 1.00 0.00 C ATOM 1323 O ALA A 85 9.379 2.105 -5.817 1.00 0.00 O ATOM 1324 CB ALA A 85 7.799 3.460 -3.240 1.00 0.00 C ATOM 0 H ALA A 85 8.285 5.791 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 85 9.883 3.449 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.724 2.376 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.989 3.887 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.865 3.860 -3.635 1.00 0.00 H new ATOM 1330 N LYS A 86 7.930 3.734 -6.423 1.00 0.00 N ATOM 1331 CA LYS A 86 7.703 3.177 -7.771 1.00 0.00 C ATOM 1332 C LYS A 86 8.937 3.326 -8.683 1.00 0.00 C ATOM 1333 O LYS A 86 9.245 2.402 -9.442 1.00 0.00 O ATOM 1334 CB LYS A 86 6.442 3.774 -8.447 1.00 0.00 C ATOM 1335 CG LYS A 86 6.475 5.293 -8.685 1.00 0.00 C ATOM 1336 CD LYS A 86 5.228 5.816 -9.420 1.00 0.00 C ATOM 1337 CE LYS A 86 5.043 5.183 -10.807 1.00 0.00 C ATOM 1338 NZ LYS A 86 3.955 5.832 -11.572 1.00 0.00 N ATOM 0 H LYS A 86 7.401 4.582 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 86 7.528 2.111 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.295 3.277 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.575 3.539 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.565 5.803 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.363 5.545 -9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.344 5.616 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.303 6.898 -9.527 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.975 5.258 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.824 4.121 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.864 5.375 -12.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.060 5.738 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.176 6.840 -11.702 1.00 0.00 H new ATOM 1352 N LEU A 87 9.663 4.469 -8.606 1.00 0.00 N ATOM 1353 CA LEU A 87 10.824 4.700 -9.498 1.00 0.00 C ATOM 1354 C LEU A 87 11.985 3.747 -9.157 1.00 0.00 C ATOM 1355 O LEU A 87 12.702 3.308 -10.054 1.00 0.00 O ATOM 1356 CB LEU A 87 11.255 6.210 -9.539 1.00 0.00 C ATOM 1357 CG LEU A 87 11.773 6.904 -8.224 1.00 0.00 C ATOM 1358 CD1 LEU A 87 13.241 6.556 -7.877 1.00 0.00 C ATOM 1359 CD2 LEU A 87 11.604 8.436 -8.304 1.00 0.00 C ATOM 0 H LEU A 87 9.471 5.228 -7.952 1.00 0.00 H new ATOM 0 HA LEU A 87 10.512 4.462 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.040 6.306 -10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.400 6.784 -9.896 1.00 0.00 H new ATOM 0 HG LEU A 87 11.154 6.507 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.530 7.069 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.336 5.479 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.892 6.874 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.969 8.891 -7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.173 8.821 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.550 8.679 -8.435 1.00 0.00 H new ATOM 1371 N LYS A 88 12.171 3.425 -7.854 1.00 0.00 N ATOM 1372 CA LYS A 88 13.197 2.447 -7.434 1.00 0.00 C ATOM 1373 C LYS A 88 12.758 1.002 -7.741 1.00 0.00 C ATOM 1374 O LYS A 88 13.604 0.150 -8.031 1.00 0.00 O ATOM 1375 CB LYS A 88 13.624 2.655 -5.940 1.00 0.00 C ATOM 1376 CG LYS A 88 12.541 2.523 -4.836 1.00 0.00 C ATOM 1377 CD LYS A 88 12.215 1.070 -4.438 1.00 0.00 C ATOM 1378 CE LYS A 88 11.189 0.988 -3.305 1.00 0.00 C ATOM 1379 NZ LYS A 88 10.815 -0.403 -2.984 1.00 0.00 N ATOM 0 H LYS A 88 11.630 3.824 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 88 14.092 2.629 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 88 14.413 1.937 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.064 3.649 -5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.874 3.064 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.627 3.007 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.834 0.535 -5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.132 0.567 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.596 1.467 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.296 1.546 -3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.821 -0.434 -2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.939 -0.999 -3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.422 -0.757 -2.217 1.00 0.00 H new ATOM 1393 N ALA A 89 11.431 0.732 -7.662 1.00 0.00 N ATOM 1394 CA ALA A 89 10.849 -0.591 -7.991 1.00 0.00 C ATOM 1395 C ALA A 89 11.057 -0.973 -9.470 1.00 0.00 C ATOM 1396 O ALA A 89 11.081 -2.153 -9.805 1.00 0.00 O ATOM 1397 CB ALA A 89 9.357 -0.617 -7.640 1.00 0.00 C ATOM 0 H ALA A 89 10.739 1.422 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 89 11.376 -1.333 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.942 -1.594 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.231 -0.428 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.836 0.153 -8.209 1.00 0.00 H new