USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 568 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 68 CYS SG : rot -161:sc= 0.327 USER MOD Set 1.2: A 71 CYS SG : rot -90:sc= -0.735 USER MOD Set 1.3: A 84 HIS : no HD1:sc= -3.3! X(o=-3.9!,f=-3.8) USER MOD Set 1.4: A 88 CYS SG : rot -34:sc= -0.229 USER MOD Set 2.1: A 45 LYS NZ :NH3+ 146:sc= -0.614 (180deg=0.0497) USER MOD Set 2.2: A 76 MET CE :methyl 152:sc= -0.685 (180deg=-0.00173) USER MOD Set 3.1: A 40 CYS SG : rot 166:sc= -2.36 USER MOD Set 3.2: A 43 CYS SG : rot -65:sc= -1.16 USER MOD Set 3.3: A 56 HIS : no HE2:sc= -4.1! X(o=-16!,f=-16) USER MOD Set 3.4: A 57 MET CE :methyl 170:sc= -4.55 (180deg=-2.62!) USER MOD Set 3.5: A 60 HIS : no HD1:sc= -3.86 K(o=-16,f=-17) USER MOD Set 4.1: A 13 CYS SG : rot -169:sc= 0.404 USER MOD Set 4.2: A 15 CYS SG : rot -68:sc= 0.151 USER MOD Set 4.3: A 28 HIS : no HD1:sc= 0.189 K(o=-4.1,f=-5.8) USER MOD Set 4.4: A 31 MET CE :methyl -154:sc= 0 (180deg=0) USER MOD Set 4.5: A 32 HIS : no HD1:sc= -4.82 K(o=-4.1,f=-6!) USER MOD Set 5.1: A 21 HIS : no HD1:sc=-0.00933 X(o=-5.3,f=-5.4) USER MOD Set 5.2: A 24 GLN : amide:sc= -5.26! C(o=-5.3!,f=-9.8!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.491 X(o=-0.49,f=-0.49) USER MOD Single : A 17 LYS NZ :NH3+ 157:sc= -0.0758 (180deg=-0.381) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -118:sc= -0.138 (180deg=-3.15) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.0793 (180deg=-0.423) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.14) USER MOD Single : A 51 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-10!) USER MOD Single : A 52 HIS : no HD1:sc= -3.96! K(o=-4!,f=-3.1) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= -0.758 (180deg=-0.775) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.49! K(o=-2.5!,f=-0.31) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.545 K(o=-0.55,f=-1.5) USER MOD Single : A 86 THR OG1 : rot 58:sc= 0.953 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N TYR A 11 2.003 6.788 16.743 1.00 0.00 N ATOM 120 CA TYR A 11 3.454 6.799 16.885 1.00 0.00 C ATOM 121 C TYR A 11 4.132 7.054 15.542 1.00 0.00 C ATOM 122 O TYR A 11 3.960 6.305 14.580 1.00 0.00 O ATOM 123 CB TYR A 11 3.940 5.473 17.471 1.00 0.00 C ATOM 124 CG TYR A 11 3.415 5.196 18.862 1.00 0.00 C ATOM 125 CD1 TYR A 11 2.050 5.107 19.105 1.00 0.00 C ATOM 126 CD2 TYR A 11 4.284 5.022 19.932 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.566 4.856 20.374 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.808 4.768 21.204 1.00 0.00 C ATOM 129 CZ TYR A 11 2.449 4.686 21.420 1.00 0.00 C ATOM 130 OH TYR A 11 1.970 4.434 22.686 1.00 0.00 O ATOM 0 HA TYR A 11 3.721 7.608 17.565 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.638 4.661 16.810 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.030 5.475 17.497 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.356 5.236 18.288 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.349 5.086 19.767 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.502 4.793 20.546 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.497 4.634 22.025 1.00 0.00 H new ATOM 0 HH TYR A 11 2.722 4.339 23.307 1.00 0.00 H new ATOM 140 N PRO A 12 4.921 8.136 15.475 1.00 0.00 N ATOM 141 CA PRO A 12 5.642 8.515 14.256 1.00 0.00 C ATOM 142 C PRO A 12 6.774 7.547 13.927 1.00 0.00 C ATOM 143 O PRO A 12 7.688 7.351 14.729 1.00 0.00 O ATOM 144 CB PRO A 12 6.202 9.899 14.591 1.00 0.00 C ATOM 145 CG PRO A 12 6.309 9.915 16.077 1.00 0.00 C ATOM 146 CD PRO A 12 5.171 9.073 16.583 1.00 0.00 C ATOM 0 HA PRO A 12 4.995 8.503 13.379 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.173 10.057 14.122 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.543 10.690 14.233 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.268 9.512 16.404 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.243 10.933 16.462 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.436 8.548 17.501 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.291 9.677 16.804 1.00 0.00 H new ATOM 154 N CYS A 13 6.708 6.946 12.744 1.00 0.00 N ATOM 155 CA CYS A 13 7.727 5.999 12.309 1.00 0.00 C ATOM 156 C CYS A 13 8.802 6.698 11.482 1.00 0.00 C ATOM 157 O CYS A 13 8.578 7.784 10.947 1.00 0.00 O ATOM 158 CB CYS A 13 7.091 4.873 11.491 1.00 0.00 C ATOM 159 SG CYS A 13 8.187 3.444 11.215 1.00 0.00 S ATOM 0 H CYS A 13 5.959 7.098 12.069 1.00 0.00 H new ATOM 0 HA CYS A 13 8.195 5.574 13.197 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.189 4.533 12.001 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.780 5.271 10.525 1.00 0.00 H new ATOM 0 HG CYS A 13 7.657 2.656 10.327 1.00 0.00 H new ATOM 164 N GLN A 14 9.968 6.068 11.383 1.00 0.00 N ATOM 165 CA GLN A 14 11.077 6.630 10.622 1.00 0.00 C ATOM 166 C GLN A 14 10.654 6.939 9.190 1.00 0.00 C ATOM 167 O GLN A 14 10.926 8.021 8.670 1.00 0.00 O ATOM 168 CB GLN A 14 12.263 5.663 10.619 1.00 0.00 C ATOM 169 CG GLN A 14 12.789 5.342 12.008 1.00 0.00 C ATOM 170 CD GLN A 14 14.116 4.608 11.975 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.117 5.089 12.506 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.130 3.438 11.348 1.00 0.00 N ATOM 0 H GLN A 14 10.169 5.169 11.820 1.00 0.00 H new ATOM 0 HA GLN A 14 11.378 7.562 11.101 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.964 4.736 10.129 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.069 6.092 10.024 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.904 6.268 12.572 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.056 4.735 12.539 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.276 3.077 10.922 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.994 2.900 11.292 1.00 0.00 H new ATOM 181 N CYS A 15 9.987 5.980 8.556 1.00 0.00 N ATOM 182 CA CYS A 15 9.526 6.148 7.183 1.00 0.00 C ATOM 183 C CYS A 15 8.604 7.358 7.063 1.00 0.00 C ATOM 184 O CYS A 15 8.512 7.979 6.005 1.00 0.00 O ATOM 185 CB CYS A 15 8.797 4.889 6.710 1.00 0.00 C ATOM 186 SG CYS A 15 7.306 4.486 7.674 1.00 0.00 S ATOM 0 H CYS A 15 9.754 5.078 8.972 1.00 0.00 H new ATOM 0 HA CYS A 15 10.398 6.314 6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.517 5.016 5.664 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.485 4.045 6.756 1.00 0.00 H new ATOM 0 HG CYS A 15 7.649 4.134 8.877 1.00 0.00 H new ATOM 191 N GLY A 16 7.922 7.686 8.156 1.00 0.00 N ATOM 192 CA GLY A 16 7.016 8.820 8.153 1.00 0.00 C ATOM 193 C GLY A 16 5.607 8.437 8.558 1.00 0.00 C ATOM 194 O GLY A 16 4.832 9.279 9.013 1.00 0.00 O ATOM 0 H GLY A 16 7.981 7.187 9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.392 9.583 8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.997 9.263 7.157 1.00 0.00 H new ATOM 198 N LYS A 17 5.270 7.163 8.391 1.00 0.00 N ATOM 199 CA LYS A 17 3.944 6.668 8.741 1.00 0.00 C ATOM 200 C LYS A 17 3.685 6.820 10.237 1.00 0.00 C ATOM 201 O LYS A 17 4.580 7.188 10.997 1.00 0.00 O ATOM 202 CB LYS A 17 3.801 5.200 8.334 1.00 0.00 C ATOM 203 CG LYS A 17 3.977 4.962 6.845 1.00 0.00 C ATOM 204 CD LYS A 17 3.817 3.492 6.492 1.00 0.00 C ATOM 205 CE LYS A 17 2.369 3.150 6.176 1.00 0.00 C ATOM 206 NZ LYS A 17 1.910 3.790 4.913 1.00 0.00 N ATOM 0 H LYS A 17 5.898 6.453 8.015 1.00 0.00 H new ATOM 0 HA LYS A 17 3.207 7.261 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.537 4.608 8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.817 4.842 8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.245 5.551 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.964 5.306 6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.444 3.252 5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.164 2.877 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.261 2.068 6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.732 3.473 6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.105 3.257 4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.617 4.769 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.687 3.791 4.222 1.00 0.00 H new ATOM 220 N SER A 18 2.455 6.533 10.651 1.00 0.00 N ATOM 221 CA SER A 18 2.077 6.640 12.056 1.00 0.00 C ATOM 222 C SER A 18 1.122 5.517 12.449 1.00 0.00 C ATOM 223 O SER A 18 0.077 5.330 11.826 1.00 0.00 O ATOM 224 CB SER A 18 1.427 7.998 12.329 1.00 0.00 C ATOM 225 OG SER A 18 2.279 9.060 11.938 1.00 0.00 O ATOM 0 H SER A 18 1.703 6.225 10.034 1.00 0.00 H new ATOM 0 HA SER A 18 2.981 6.551 12.658 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.483 8.068 11.789 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.194 8.086 13.390 1.00 0.00 H new ATOM 0 HG SER A 18 1.840 9.916 12.122 1.00 0.00 H new ATOM 231 N PHE A 19 1.489 4.772 13.486 1.00 0.00 N ATOM 232 CA PHE A 19 0.667 3.667 13.963 1.00 0.00 C ATOM 233 C PHE A 19 0.020 4.008 15.302 1.00 0.00 C ATOM 234 O PHE A 19 0.605 4.710 16.127 1.00 0.00 O ATOM 235 CB PHE A 19 1.511 2.398 14.100 1.00 0.00 C ATOM 236 CG PHE A 19 2.282 2.053 12.858 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.412 2.774 12.507 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.877 1.009 12.042 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.124 2.459 11.364 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.585 0.690 10.898 1.00 0.00 C ATOM 241 CZ PHE A 19 3.710 1.416 10.559 1.00 0.00 C ATOM 0 H PHE A 19 2.351 4.914 14.012 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.123 3.493 13.232 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.209 2.523 14.928 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.859 1.563 14.356 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.740 3.591 13.133 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.998 0.438 12.303 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.003 3.028 11.101 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.259 -0.126 10.270 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.265 1.169 9.666 1.00 0.00 H new ATOM 251 N THR A 20 -1.194 3.507 15.511 1.00 0.00 N ATOM 252 CA THR A 20 -1.922 3.759 16.747 1.00 0.00 C ATOM 253 C THR A 20 -1.293 3.013 17.918 1.00 0.00 C ATOM 254 O THR A 20 -1.398 3.440 19.068 1.00 0.00 O ATOM 255 CB THR A 20 -3.401 3.345 16.623 1.00 0.00 C ATOM 256 OG1 THR A 20 -3.992 3.976 15.482 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.176 3.722 17.877 1.00 0.00 C ATOM 0 H THR A 20 -1.693 2.924 14.839 1.00 0.00 H new ATOM 0 HA THR A 20 -1.867 4.832 16.932 1.00 0.00 H new ATOM 0 HB THR A 20 -3.444 2.263 16.501 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.931 3.707 15.409 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.217 3.420 17.766 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.741 3.216 18.739 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.125 4.801 18.026 1.00 0.00 H new ATOM 265 N HIS A 21 -0.640 1.895 17.618 1.00 0.00 N ATOM 266 CA HIS A 21 0.008 1.089 18.647 1.00 0.00 C ATOM 267 C HIS A 21 1.527 1.183 18.535 1.00 0.00 C ATOM 268 O HIS A 21 2.066 1.424 17.455 1.00 0.00 O ATOM 269 CB HIS A 21 -0.434 -0.371 18.535 1.00 0.00 C ATOM 270 CG HIS A 21 -1.728 -0.660 19.231 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.933 -0.413 20.572 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.889 -1.176 18.763 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.163 -0.767 20.899 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.764 -1.233 19.820 1.00 0.00 N ATOM 0 H HIS A 21 -0.545 1.527 16.672 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.292 1.478 19.620 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.531 -0.633 17.481 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.344 -1.011 18.952 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.090 -1.485 17.748 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.602 -0.688 21.882 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.723 -1.579 19.778 1.00 0.00 H new ATOM 282 N LYS A 22 2.211 0.991 19.658 1.00 0.00 N ATOM 283 CA LYS A 22 3.667 1.054 19.687 1.00 0.00 C ATOM 284 C LYS A 22 4.278 -0.170 19.012 1.00 0.00 C ATOM 285 O LYS A 22 5.259 -0.060 18.277 1.00 0.00 O ATOM 286 CB LYS A 22 4.165 1.155 21.131 1.00 0.00 C ATOM 287 CG LYS A 22 5.671 1.012 21.266 1.00 0.00 C ATOM 288 CD LYS A 22 6.369 2.359 21.182 1.00 0.00 C ATOM 289 CE LYS A 22 6.537 2.986 22.557 1.00 0.00 C ATOM 290 NZ LYS A 22 7.787 2.530 23.226 1.00 0.00 N ATOM 0 H LYS A 22 1.780 0.790 20.560 1.00 0.00 H new ATOM 0 HA LYS A 22 3.978 1.943 19.139 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.861 2.116 21.545 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.680 0.383 21.729 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.908 0.537 22.218 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.047 0.357 20.480 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.346 2.235 20.716 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.794 3.029 20.543 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.552 4.072 22.462 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.679 2.732 23.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.865 2.980 24.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.762 1.497 23.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.608 2.795 22.645 1.00 0.00 H new ATOM 304 N SER A 23 3.690 -1.335 19.265 1.00 0.00 N ATOM 305 CA SER A 23 4.178 -2.580 18.683 1.00 0.00 C ATOM 306 C SER A 23 4.171 -2.507 17.159 1.00 0.00 C ATOM 307 O SER A 23 5.117 -2.941 16.503 1.00 0.00 O ATOM 308 CB SER A 23 3.321 -3.757 19.152 1.00 0.00 C ATOM 309 OG SER A 23 3.349 -3.878 20.564 1.00 0.00 O ATOM 0 H SER A 23 2.875 -1.443 19.869 1.00 0.00 H new ATOM 0 HA SER A 23 5.204 -2.731 19.018 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.293 -3.619 18.816 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.684 -4.679 18.698 1.00 0.00 H new ATOM 0 HG SER A 23 2.792 -4.636 20.838 1.00 0.00 H new ATOM 315 N GLN A 24 3.097 -1.954 16.604 1.00 0.00 N ATOM 316 CA GLN A 24 2.967 -1.825 15.158 1.00 0.00 C ATOM 317 C GLN A 24 4.045 -0.905 14.594 1.00 0.00 C ATOM 318 O GLN A 24 4.565 -1.139 13.503 1.00 0.00 O ATOM 319 CB GLN A 24 1.581 -1.287 14.796 1.00 0.00 C ATOM 320 CG GLN A 24 0.458 -2.281 15.045 1.00 0.00 C ATOM 321 CD GLN A 24 0.672 -3.099 16.304 1.00 0.00 C ATOM 322 OE1 GLN A 24 0.126 -2.785 17.362 1.00 0.00 O ATOM 323 NE2 GLN A 24 1.469 -4.155 16.195 1.00 0.00 N ATOM 0 H GLN A 24 2.305 -1.589 17.133 1.00 0.00 H new ATOM 0 HA GLN A 24 3.092 -2.814 14.718 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.389 -0.383 15.374 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.575 -1.001 13.744 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.487 -1.744 15.121 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.375 -2.952 14.190 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.900 -4.378 15.298 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.650 -4.744 17.008 1.00 0.00 H new ATOM 332 N ARG A 25 4.376 0.140 15.345 1.00 0.00 N ATOM 333 CA ARG A 25 5.391 1.096 14.919 1.00 0.00 C ATOM 334 C ARG A 25 6.790 0.501 15.058 1.00 0.00 C ATOM 335 O ARG A 25 7.656 0.721 14.212 1.00 0.00 O ATOM 336 CB ARG A 25 5.288 2.382 15.740 1.00 0.00 C ATOM 337 CG ARG A 25 6.374 3.397 15.422 1.00 0.00 C ATOM 338 CD ARG A 25 7.595 3.202 16.307 1.00 0.00 C ATOM 339 NE ARG A 25 7.453 3.879 17.593 1.00 0.00 N ATOM 340 CZ ARG A 25 7.724 5.166 17.780 1.00 0.00 C ATOM 341 NH1 ARG A 25 8.149 5.911 16.770 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.569 5.710 18.981 1.00 0.00 N ATOM 0 H ARG A 25 3.956 0.346 16.251 1.00 0.00 H new ATOM 0 HA ARG A 25 5.216 1.329 13.869 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.314 2.838 15.564 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.336 2.131 16.800 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.664 3.306 14.375 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.982 4.405 15.557 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.755 2.137 16.474 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.479 3.581 15.794 1.00 0.00 H new ATOM 0 HE ARG A 25 7.128 3.334 18.391 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.269 5.497 15.846 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.356 6.899 16.917 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.242 5.140 19.761 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.777 6.698 19.124 1.00 0.00 H new ATOM 356 N ASP A 26 7.002 -0.251 16.132 1.00 0.00 N ATOM 357 CA ASP A 26 8.295 -0.878 16.383 1.00 0.00 C ATOM 358 C ASP A 26 8.641 -1.872 15.278 1.00 0.00 C ATOM 359 O ASP A 26 9.723 -1.815 14.695 1.00 0.00 O ATOM 360 CB ASP A 26 8.288 -1.586 17.739 1.00 0.00 C ATOM 361 CG ASP A 26 9.637 -2.183 18.087 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.661 -1.665 17.594 1.00 0.00 O ATOM 363 OD2 ASP A 26 9.670 -3.170 18.851 1.00 0.00 O ATOM 0 H ASP A 26 6.296 -0.441 16.843 1.00 0.00 H new ATOM 0 HA ASP A 26 9.054 -0.096 16.394 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.997 -0.877 18.514 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.536 -2.375 17.730 1.00 0.00 H new ATOM 368 N ARG A 27 7.714 -2.782 14.997 1.00 0.00 N ATOM 369 CA ARG A 27 7.922 -3.790 13.964 1.00 0.00 C ATOM 370 C ARG A 27 8.262 -3.137 12.628 1.00 0.00 C ATOM 371 O ARG A 27 8.986 -3.708 11.812 1.00 0.00 O ATOM 372 CB ARG A 27 6.674 -4.662 13.815 1.00 0.00 C ATOM 373 CG ARG A 27 5.501 -3.943 13.169 1.00 0.00 C ATOM 374 CD ARG A 27 4.463 -4.925 12.650 1.00 0.00 C ATOM 375 NE ARG A 27 3.620 -5.448 13.722 1.00 0.00 N ATOM 376 CZ ARG A 27 2.930 -6.578 13.629 1.00 0.00 C ATOM 377 NH1 ARG A 27 2.982 -7.301 12.518 1.00 0.00 N ATOM 378 NH2 ARG A 27 2.185 -6.989 14.648 1.00 0.00 N ATOM 0 H ARG A 27 6.812 -2.842 15.470 1.00 0.00 H new ATOM 0 HA ARG A 27 8.761 -4.417 14.266 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.924 -5.540 13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.372 -5.020 14.799 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.039 -3.273 13.894 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.860 -3.324 12.347 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.838 -4.432 11.905 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.965 -5.752 12.148 1.00 0.00 H new ATOM 0 HE ARG A 27 3.558 -4.916 14.590 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.553 -6.989 11.733 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.451 -8.169 12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.142 -6.436 15.504 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.655 -7.858 14.575 1.00 0.00 H new ATOM 392 N HIS A 28 7.734 -1.936 12.410 1.00 0.00 N ATOM 393 CA HIS A 28 7.981 -1.205 11.173 1.00 0.00 C ATOM 394 C HIS A 28 9.283 -0.413 11.261 1.00 0.00 C ATOM 395 O HIS A 28 9.797 0.068 10.251 1.00 0.00 O ATOM 396 CB HIS A 28 6.816 -0.262 10.871 1.00 0.00 C ATOM 397 CG HIS A 28 6.609 -0.014 9.409 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.751 1.228 8.828 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.270 -0.859 8.408 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.507 1.137 7.533 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.213 -0.119 7.252 1.00 0.00 N ATOM 0 H HIS A 28 7.132 -1.449 13.074 1.00 0.00 H new ATOM 0 HA HIS A 28 8.071 -1.929 10.364 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.902 -0.680 11.293 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.991 0.690 11.371 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.080 -1.918 8.501 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.542 1.951 6.825 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.981 -0.481 6.327 1.00 0.00 H new ATOM 409 N MET A 29 9.809 -0.282 12.474 1.00 0.00 N ATOM 410 CA MET A 29 11.051 0.451 12.692 1.00 0.00 C ATOM 411 C MET A 29 12.259 -0.468 12.538 1.00 0.00 C ATOM 412 O MET A 29 13.268 -0.088 11.944 1.00 0.00 O ATOM 413 CB MET A 29 11.054 1.088 14.083 1.00 0.00 C ATOM 414 CG MET A 29 10.495 2.501 14.106 1.00 0.00 C ATOM 415 SD MET A 29 11.043 3.442 15.543 1.00 0.00 S ATOM 416 CE MET A 29 12.781 3.654 15.165 1.00 0.00 C ATOM 0 H MET A 29 9.395 -0.673 13.320 1.00 0.00 H new ATOM 0 HA MET A 29 11.117 1.237 11.940 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.471 0.464 14.760 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.075 1.104 14.464 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.798 3.022 13.198 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.406 2.457 14.099 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.382 3.169 15.934 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.000 3.205 14.196 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.020 4.717 15.135 1.00 0.00 H new ATOM 426 N SER A 30 12.149 -1.678 13.077 1.00 0.00 N ATOM 427 CA SER A 30 13.234 -2.649 13.003 1.00 0.00 C ATOM 428 C SER A 30 13.413 -3.156 11.575 1.00 0.00 C ATOM 429 O SER A 30 14.529 -3.442 11.142 1.00 0.00 O ATOM 430 CB SER A 30 12.960 -3.825 13.942 1.00 0.00 C ATOM 431 OG SER A 30 12.817 -3.385 15.282 1.00 0.00 O ATOM 0 H SER A 30 11.320 -2.009 13.570 1.00 0.00 H new ATOM 0 HA SER A 30 14.154 -2.153 13.312 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.054 -4.342 13.627 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.777 -4.544 13.877 1.00 0.00 H new ATOM 0 HG SER A 30 12.641 -4.155 15.862 1.00 0.00 H new ATOM 437 N MET A 31 12.306 -3.263 10.849 1.00 0.00 N ATOM 438 CA MET A 31 12.339 -3.734 9.469 1.00 0.00 C ATOM 439 C MET A 31 13.125 -2.771 8.585 1.00 0.00 C ATOM 440 O MET A 31 13.818 -3.189 7.656 1.00 0.00 O ATOM 441 CB MET A 31 10.918 -3.896 8.928 1.00 0.00 C ATOM 442 CG MET A 31 10.174 -2.580 8.769 1.00 0.00 C ATOM 443 SD MET A 31 10.626 -1.704 7.260 1.00 0.00 S ATOM 444 CE MET A 31 9.242 -2.118 6.200 1.00 0.00 C ATOM 0 H MET A 31 11.374 -3.030 11.193 1.00 0.00 H new ATOM 0 HA MET A 31 12.838 -4.703 9.454 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.961 -4.398 7.962 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.354 -4.544 9.599 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.101 -2.772 8.765 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.381 -1.944 9.630 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.555 -2.069 5.157 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.898 -3.127 6.428 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.430 -1.411 6.369 1.00 0.00 H new ATOM 454 N HIS A 32 13.014 -1.479 8.879 1.00 0.00 N ATOM 455 CA HIS A 32 13.714 -0.456 8.111 1.00 0.00 C ATOM 456 C HIS A 32 15.217 -0.721 8.098 1.00 0.00 C ATOM 457 O HIS A 32 15.837 -0.785 7.036 1.00 0.00 O ATOM 458 CB HIS A 32 13.434 0.930 8.692 1.00 0.00 C ATOM 459 CG HIS A 32 12.047 1.425 8.418 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.376 1.171 7.241 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.204 2.161 9.179 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.181 1.731 7.288 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.051 2.338 8.454 1.00 0.00 N ATOM 0 H HIS A 32 12.445 -1.116 9.644 1.00 0.00 H new ATOM 0 HA HIS A 32 13.347 -0.492 7.085 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.595 0.902 9.770 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.152 1.639 8.281 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.401 2.539 10.171 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.437 1.698 6.506 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.228 2.854 8.765 1.00 0.00 H new ATOM 582 N CYS A 40 31.777 2.096 6.937 1.00 0.00 N ATOM 583 CA CYS A 40 32.856 2.961 7.399 1.00 0.00 C ATOM 584 C CYS A 40 33.625 2.307 8.544 1.00 0.00 C ATOM 585 O CYS A 40 33.151 2.260 9.678 1.00 0.00 O ATOM 586 CB CYS A 40 32.298 4.311 7.851 1.00 0.00 C ATOM 587 SG CYS A 40 33.520 5.384 8.673 1.00 0.00 S ATOM 0 HA CYS A 40 33.542 3.119 6.567 1.00 0.00 H new ATOM 0 HB2 CYS A 40 31.896 4.835 6.984 1.00 0.00 H new ATOM 0 HB3 CYS A 40 31.465 4.138 8.533 1.00 0.00 H new ATOM 0 HG CYS A 40 33.052 6.594 8.751 1.00 0.00 H new ATOM 592 N GLY A 41 34.816 1.802 8.237 1.00 0.00 N ATOM 593 CA GLY A 41 35.632 1.158 9.249 1.00 0.00 C ATOM 594 C GLY A 41 36.397 2.154 10.098 1.00 0.00 C ATOM 595 O GLY A 41 37.531 1.897 10.501 1.00 0.00 O ATOM 0 H GLY A 41 35.230 1.828 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 41 34.995 0.551 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 41 36.336 0.480 8.766 1.00 0.00 H new ATOM 599 N VAL A 42 35.775 3.297 10.371 1.00 0.00 N ATOM 600 CA VAL A 42 36.404 4.336 11.178 1.00 0.00 C ATOM 601 C VAL A 42 35.513 4.738 12.347 1.00 0.00 C ATOM 602 O VAL A 42 35.979 4.873 13.479 1.00 0.00 O ATOM 603 CB VAL A 42 36.721 5.585 10.334 1.00 0.00 C ATOM 604 CG1 VAL A 42 37.425 6.635 11.180 1.00 0.00 C ATOM 605 CG2 VAL A 42 37.563 5.211 9.124 1.00 0.00 C ATOM 0 H VAL A 42 34.836 3.527 10.045 1.00 0.00 H new ATOM 0 HA VAL A 42 37.335 3.920 11.562 1.00 0.00 H new ATOM 0 HB VAL A 42 35.783 6.009 9.977 1.00 0.00 H new ATOM 0 HG11 VAL A 42 37.641 7.510 10.568 1.00 0.00 H new ATOM 0 HG12 VAL A 42 36.782 6.924 12.011 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.357 6.224 11.568 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.777 6.106 8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 42 38.499 4.762 9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 42 37.017 4.497 8.508 1.00 0.00 H new ATOM 615 N CYS A 43 34.228 4.929 12.067 1.00 0.00 N ATOM 616 CA CYS A 43 33.270 5.316 13.096 1.00 0.00 C ATOM 617 C CYS A 43 32.241 4.213 13.324 1.00 0.00 C ATOM 618 O CYS A 43 31.807 3.978 14.451 1.00 0.00 O ATOM 619 CB CYS A 43 32.563 6.614 12.701 1.00 0.00 C ATOM 620 SG CYS A 43 31.313 6.411 11.391 1.00 0.00 S ATOM 0 H CYS A 43 33.826 4.822 11.136 1.00 0.00 H new ATOM 0 HA CYS A 43 33.817 5.476 14.025 1.00 0.00 H new ATOM 0 HB2 CYS A 43 32.083 7.037 13.584 1.00 0.00 H new ATOM 0 HB3 CYS A 43 33.310 7.335 12.368 1.00 0.00 H new ATOM 0 HG CYS A 43 31.895 6.036 10.291 1.00 0.00 H new ATOM 625 N GLY A 44 31.856 3.538 12.245 1.00 0.00 N ATOM 626 CA GLY A 44 30.882 2.467 12.348 1.00 0.00 C ATOM 627 C GLY A 44 29.607 2.767 11.585 1.00 0.00 C ATOM 628 O GLY A 44 28.521 2.347 11.984 1.00 0.00 O ATOM 0 H GLY A 44 32.201 3.714 11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 44 31.320 1.544 11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 44 30.642 2.298 13.398 1.00 0.00 H new ATOM 632 N LYS A 45 29.738 3.499 10.483 1.00 0.00 N ATOM 633 CA LYS A 45 28.588 3.856 9.661 1.00 0.00 C ATOM 634 C LYS A 45 28.458 2.914 8.468 1.00 0.00 C ATOM 635 O LYS A 45 29.268 2.004 8.292 1.00 0.00 O ATOM 636 CB LYS A 45 28.714 5.301 9.172 1.00 0.00 C ATOM 637 CG LYS A 45 28.063 6.315 10.096 1.00 0.00 C ATOM 638 CD LYS A 45 27.612 7.552 9.338 1.00 0.00 C ATOM 639 CE LYS A 45 26.455 8.245 10.041 1.00 0.00 C ATOM 640 NZ LYS A 45 26.861 8.800 11.362 1.00 0.00 N ATOM 0 H LYS A 45 30.629 3.856 10.139 1.00 0.00 H new ATOM 0 HA LYS A 45 27.692 3.763 10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 45 29.770 5.548 9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 45 28.263 5.382 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 45 27.206 5.859 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 45 28.768 6.602 10.876 1.00 0.00 H new ATOM 0 HD2 LYS A 45 28.448 8.245 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 45 27.311 7.272 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 45 26.076 9.049 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 45 25.638 7.537 10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.337 9.680 11.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 26.648 8.109 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 27.882 8.999 11.356 1.00 0.00 H new ATOM 654 N LYS A 46 27.435 3.139 7.651 1.00 0.00 N ATOM 655 CA LYS A 46 27.200 2.313 6.473 1.00 0.00 C ATOM 656 C LYS A 46 26.307 3.036 5.470 1.00 0.00 C ATOM 657 O LYS A 46 25.485 3.873 5.846 1.00 0.00 O ATOM 658 CB LYS A 46 26.559 0.983 6.877 1.00 0.00 C ATOM 659 CG LYS A 46 27.420 0.152 7.812 1.00 0.00 C ATOM 660 CD LYS A 46 26.888 -1.265 7.948 1.00 0.00 C ATOM 661 CE LYS A 46 27.420 -1.942 9.201 1.00 0.00 C ATOM 662 NZ LYS A 46 27.028 -3.377 9.266 1.00 0.00 N ATOM 0 H LYS A 46 26.755 3.887 7.783 1.00 0.00 H new ATOM 0 HA LYS A 46 28.162 2.117 6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 46 25.602 1.182 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 46 26.349 0.403 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 46 28.443 0.123 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 46 27.454 0.625 8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 46 25.799 -1.244 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 46 27.171 -1.847 7.071 1.00 0.00 H new ATOM 0 HE2 LYS A 46 28.507 -1.861 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 46 27.043 -1.423 10.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 27.410 -3.802 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.991 -3.454 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 27.409 -3.879 8.439 1.00 0.00 H new ATOM 676 N PHE A 47 26.471 2.708 4.193 1.00 0.00 N ATOM 677 CA PHE A 47 25.679 3.326 3.136 1.00 0.00 C ATOM 678 C PHE A 47 25.416 2.337 2.005 1.00 0.00 C ATOM 679 O PHE A 47 26.244 1.473 1.714 1.00 0.00 O ATOM 680 CB PHE A 47 26.395 4.564 2.591 1.00 0.00 C ATOM 681 CG PHE A 47 26.891 5.490 3.664 1.00 0.00 C ATOM 682 CD1 PHE A 47 27.963 5.131 4.466 1.00 0.00 C ATOM 683 CD2 PHE A 47 26.287 6.720 3.870 1.00 0.00 C ATOM 684 CE1 PHE A 47 28.421 5.982 5.455 1.00 0.00 C ATOM 685 CE2 PHE A 47 26.741 7.575 4.857 1.00 0.00 C ATOM 686 CZ PHE A 47 27.810 7.205 5.649 1.00 0.00 C ATOM 0 H PHE A 47 27.146 2.017 3.865 1.00 0.00 H new ATOM 0 HA PHE A 47 24.722 3.627 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 47 27.238 4.246 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 47 25.714 5.109 1.938 1.00 0.00 H new ATOM 0 HD1 PHE A 47 28.446 4.176 4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.452 7.014 3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 47 29.256 5.690 6.075 1.00 0.00 H new ATOM 0 HE2 PHE A 47 26.261 8.530 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 47 28.168 7.872 6.420 1.00 0.00 H new ATOM 696 N LYS A 48 24.257 2.470 1.369 1.00 0.00 N ATOM 697 CA LYS A 48 23.882 1.590 0.268 1.00 0.00 C ATOM 698 C LYS A 48 24.633 1.963 -1.006 1.00 0.00 C ATOM 699 O LYS A 48 25.046 1.092 -1.771 1.00 0.00 O ATOM 700 CB LYS A 48 22.373 1.660 0.023 1.00 0.00 C ATOM 701 CG LYS A 48 21.804 0.410 -0.625 1.00 0.00 C ATOM 702 CD LYS A 48 20.373 0.155 -0.182 1.00 0.00 C ATOM 703 CE LYS A 48 19.429 1.228 -0.702 1.00 0.00 C ATOM 704 NZ LYS A 48 19.435 1.298 -2.190 1.00 0.00 N ATOM 0 H LYS A 48 23.560 3.179 1.597 1.00 0.00 H new ATOM 0 HA LYS A 48 24.152 0.570 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.866 1.829 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.156 2.519 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.837 0.514 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.424 -0.449 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.048 -0.822 -0.541 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.328 0.126 0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.417 1.022 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.718 2.196 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.595 1.817 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.293 1.790 -2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.421 0.335 -2.583 1.00 0.00 H new ATOM 718 N MET A 49 24.807 3.262 -1.227 1.00 0.00 N ATOM 719 CA MET A 49 25.511 3.749 -2.407 1.00 0.00 C ATOM 720 C MET A 49 26.986 3.985 -2.102 1.00 0.00 C ATOM 721 O MET A 49 27.354 4.301 -0.970 1.00 0.00 O ATOM 722 CB MET A 49 24.869 5.042 -2.913 1.00 0.00 C ATOM 723 CG MET A 49 23.379 4.915 -3.186 1.00 0.00 C ATOM 724 SD MET A 49 22.643 6.459 -3.757 1.00 0.00 S ATOM 725 CE MET A 49 21.013 5.898 -4.242 1.00 0.00 C ATOM 0 H MET A 49 24.470 3.996 -0.604 1.00 0.00 H new ATOM 0 HA MET A 49 25.437 2.987 -3.183 1.00 0.00 H new ATOM 0 HB2 MET A 49 25.029 5.830 -2.177 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.372 5.354 -3.828 1.00 0.00 H new ATOM 0 HG2 MET A 49 23.216 4.140 -3.935 1.00 0.00 H new ATOM 0 HG3 MET A 49 22.873 4.591 -2.277 1.00 0.00 H new ATOM 0 HE1 MET A 49 20.435 6.742 -4.618 1.00 0.00 H new ATOM 0 HE2 MET A 49 21.105 5.144 -5.024 1.00 0.00 H new ATOM 0 HE3 MET A 49 20.505 5.466 -3.380 1.00 0.00 H new ATOM 735 N LYS A 50 27.829 3.830 -3.117 1.00 0.00 N ATOM 736 CA LYS A 50 29.265 4.027 -2.958 1.00 0.00 C ATOM 737 C LYS A 50 29.599 5.510 -2.825 1.00 0.00 C ATOM 738 O LYS A 50 30.589 5.879 -2.193 1.00 0.00 O ATOM 739 CB LYS A 50 30.017 3.429 -4.149 1.00 0.00 C ATOM 740 CG LYS A 50 29.893 4.249 -5.421 1.00 0.00 C ATOM 741 CD LYS A 50 28.788 3.720 -6.320 1.00 0.00 C ATOM 742 CE LYS A 50 29.330 2.747 -7.356 1.00 0.00 C ATOM 743 NZ LYS A 50 29.356 1.349 -6.844 1.00 0.00 N ATOM 0 H LYS A 50 27.542 3.568 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 50 29.578 3.519 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 50 31.071 3.332 -3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 50 29.641 2.423 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 50 29.689 5.289 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 50 30.841 4.232 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.031 3.223 -5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 50 28.297 4.553 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.715 2.793 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 50 30.338 3.047 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 29.585 0.698 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 30.077 1.265 -6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 28.424 1.105 -6.452 1.00 0.00 H new ATOM 757 N HIS A 51 28.765 6.355 -3.423 1.00 0.00 N ATOM 758 CA HIS A 51 28.972 7.798 -3.369 1.00 0.00 C ATOM 759 C HIS A 51 28.441 8.374 -2.059 1.00 0.00 C ATOM 760 O HIS A 51 28.844 9.459 -1.638 1.00 0.00 O ATOM 761 CB HIS A 51 28.285 8.478 -4.554 1.00 0.00 C ATOM 762 CG HIS A 51 27.040 7.779 -5.006 1.00 0.00 C ATOM 763 ND1 HIS A 51 27.050 6.718 -5.888 1.00 0.00 N ATOM 764 CD2 HIS A 51 25.741 7.992 -4.692 1.00 0.00 C ATOM 765 CE1 HIS A 51 25.811 6.311 -6.098 1.00 0.00 C ATOM 766 NE2 HIS A 51 24.997 7.067 -5.383 1.00 0.00 N ATOM 0 H HIS A 51 27.941 6.066 -3.950 1.00 0.00 H new ATOM 0 HA HIS A 51 30.044 7.989 -3.422 1.00 0.00 H new ATOM 0 HB2 HIS A 51 28.037 9.503 -4.280 1.00 0.00 H new ATOM 0 HB3 HIS A 51 28.985 8.531 -5.388 1.00 0.00 H new ATOM 0 HD2 HIS A 51 25.360 8.749 -4.022 1.00 0.00 H new ATOM 0 HE1 HIS A 51 25.514 5.498 -6.744 1.00 0.00 H new ATOM 0 HE2 HIS A 51 23.981 6.978 -5.350 1.00 0.00 H new ATOM 774 N HIS A 52 27.535 7.642 -1.420 1.00 0.00 N ATOM 775 CA HIS A 52 26.949 8.080 -0.159 1.00 0.00 C ATOM 776 C HIS A 52 27.954 7.949 0.982 1.00 0.00 C ATOM 777 O HIS A 52 27.956 8.752 1.916 1.00 0.00 O ATOM 778 CB HIS A 52 25.694 7.265 0.156 1.00 0.00 C ATOM 779 CG HIS A 52 24.440 7.852 -0.414 1.00 0.00 C ATOM 780 ND1 HIS A 52 23.308 7.107 -0.669 1.00 0.00 N ATOM 781 CD2 HIS A 52 24.142 9.121 -0.778 1.00 0.00 C ATOM 782 CE1 HIS A 52 22.369 7.892 -1.166 1.00 0.00 C ATOM 783 NE2 HIS A 52 22.850 9.120 -1.242 1.00 0.00 N ATOM 0 H HIS A 52 27.190 6.742 -1.755 1.00 0.00 H new ATOM 0 HA HIS A 52 26.675 9.130 -0.260 1.00 0.00 H new ATOM 0 HB2 HIS A 52 25.821 6.254 -0.231 1.00 0.00 H new ATOM 0 HB3 HIS A 52 25.587 7.181 1.238 1.00 0.00 H new ATOM 0 HD2 HIS A 52 24.799 9.976 -0.715 1.00 0.00 H new ATOM 0 HE1 HIS A 52 21.377 7.583 -1.460 1.00 0.00 H new ATOM 0 HE2 HIS A 52 22.344 9.935 -1.589 1.00 0.00 H new ATOM 791 N LEU A 53 28.805 6.933 0.899 1.00 0.00 N ATOM 792 CA LEU A 53 29.815 6.696 1.925 1.00 0.00 C ATOM 793 C LEU A 53 30.929 7.735 1.843 1.00 0.00 C ATOM 794 O LEU A 53 31.410 8.228 2.863 1.00 0.00 O ATOM 795 CB LEU A 53 30.401 5.291 1.777 1.00 0.00 C ATOM 796 CG LEU A 53 31.658 4.998 2.597 1.00 0.00 C ATOM 797 CD1 LEU A 53 31.335 4.988 4.083 1.00 0.00 C ATOM 798 CD2 LEU A 53 32.274 3.673 2.174 1.00 0.00 C ATOM 0 H LEU A 53 28.816 6.260 0.133 1.00 0.00 H new ATOM 0 HA LEU A 53 29.334 6.782 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 53 29.634 4.568 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 53 30.631 5.124 0.725 1.00 0.00 H new ATOM 0 HG LEU A 53 32.384 5.789 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 53 32.241 4.778 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.940 5.961 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 53 30.591 4.218 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.167 3.481 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.554 2.870 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.543 3.717 1.119 1.00 0.00 H new ATOM 810 N VAL A 54 31.333 8.066 0.620 1.00 0.00 N ATOM 811 CA VAL A 54 32.388 9.050 0.404 1.00 0.00 C ATOM 812 C VAL A 54 32.061 10.368 1.097 1.00 0.00 C ATOM 813 O VAL A 54 32.789 10.812 1.984 1.00 0.00 O ATOM 814 CB VAL A 54 32.610 9.313 -1.097 1.00 0.00 C ATOM 815 CG1 VAL A 54 33.336 10.634 -1.306 1.00 0.00 C ATOM 816 CG2 VAL A 54 33.381 8.166 -1.731 1.00 0.00 C ATOM 0 H VAL A 54 30.946 7.668 -0.236 1.00 0.00 H new ATOM 0 HA VAL A 54 33.301 8.635 0.832 1.00 0.00 H new ATOM 0 HB VAL A 54 31.637 9.379 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 54 33.484 10.803 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 54 32.741 11.446 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 54 34.304 10.600 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 54 33.529 8.369 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 54 34.350 8.065 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 54 32.818 7.240 -1.614 1.00 0.00 H new ATOM 826 N GLY A 55 30.959 10.989 0.688 1.00 0.00 N ATOM 827 CA GLY A 55 30.554 12.250 1.280 1.00 0.00 C ATOM 828 C GLY A 55 30.711 12.259 2.788 1.00 0.00 C ATOM 829 O GLY A 55 30.843 13.319 3.400 1.00 0.00 O ATOM 0 H GLY A 55 30.339 10.641 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 55 31.148 13.057 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 55 29.513 12.450 1.025 1.00 0.00 H new ATOM 833 N HIS A 56 30.694 11.074 3.390 1.00 0.00 N ATOM 834 CA HIS A 56 30.834 10.949 4.837 1.00 0.00 C ATOM 835 C HIS A 56 32.288 10.696 5.222 1.00 0.00 C ATOM 836 O HIS A 56 32.799 11.282 6.176 1.00 0.00 O ATOM 837 CB HIS A 56 29.951 9.816 5.360 1.00 0.00 C ATOM 838 CG HIS A 56 30.417 9.247 6.664 1.00 0.00 C ATOM 839 ND1 HIS A 56 30.163 9.845 7.880 1.00 0.00 N ATOM 840 CD2 HIS A 56 31.124 8.126 6.939 1.00 0.00 C ATOM 841 CE1 HIS A 56 30.695 9.117 8.846 1.00 0.00 C ATOM 842 NE2 HIS A 56 31.284 8.068 8.301 1.00 0.00 N ATOM 0 H HIS A 56 30.585 10.187 2.899 1.00 0.00 H new ATOM 0 HA HIS A 56 30.514 11.887 5.291 1.00 0.00 H new ATOM 0 HB2 HIS A 56 28.932 10.185 5.477 1.00 0.00 H new ATOM 0 HB3 HIS A 56 29.918 9.020 4.617 1.00 0.00 H new ATOM 0 HD1 HIS A 56 29.645 10.714 8.013 1.00 0.00 H new ATOM 0 HD2 HIS A 56 31.494 7.410 6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 56 30.655 9.342 9.902 1.00 0.00 H new ATOM 850 N MET A 57 32.949 9.818 4.474 1.00 0.00 N ATOM 851 CA MET A 57 34.345 9.488 4.737 1.00 0.00 C ATOM 852 C MET A 57 35.190 10.753 4.852 1.00 0.00 C ATOM 853 O MET A 57 36.222 10.763 5.524 1.00 0.00 O ATOM 854 CB MET A 57 34.897 8.590 3.628 1.00 0.00 C ATOM 855 CG MET A 57 34.237 7.222 3.569 1.00 0.00 C ATOM 856 SD MET A 57 35.150 5.971 4.493 1.00 0.00 S ATOM 857 CE MET A 57 34.986 6.596 6.163 1.00 0.00 C ATOM 0 H MET A 57 32.540 9.323 3.681 1.00 0.00 H new ATOM 0 HA MET A 57 34.394 8.953 5.685 1.00 0.00 H new ATOM 0 HB2 MET A 57 34.766 9.089 2.668 1.00 0.00 H new ATOM 0 HB3 MET A 57 35.969 8.461 3.776 1.00 0.00 H new ATOM 0 HG2 MET A 57 33.224 7.294 3.965 1.00 0.00 H new ATOM 0 HG3 MET A 57 34.151 6.909 2.529 1.00 0.00 H new ATOM 0 HE1 MET A 57 35.342 5.846 6.869 1.00 0.00 H new ATOM 0 HE2 MET A 57 35.577 7.505 6.271 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.939 6.818 6.367 1.00 0.00 H new ATOM 867 N LYS A 58 34.748 11.817 4.191 1.00 0.00 N ATOM 868 CA LYS A 58 35.462 13.088 4.219 1.00 0.00 C ATOM 869 C LYS A 58 35.643 13.578 5.652 1.00 0.00 C ATOM 870 O LYS A 58 36.504 14.414 5.928 1.00 0.00 O ATOM 871 CB LYS A 58 34.709 14.138 3.400 1.00 0.00 C ATOM 872 CG LYS A 58 34.736 13.877 1.904 1.00 0.00 C ATOM 873 CD LYS A 58 33.688 14.701 1.176 1.00 0.00 C ATOM 874 CE LYS A 58 34.064 14.918 -0.282 1.00 0.00 C ATOM 875 NZ LYS A 58 33.851 13.691 -1.098 1.00 0.00 N ATOM 0 H LYS A 58 33.897 11.824 3.628 1.00 0.00 H new ATOM 0 HA LYS A 58 36.447 12.933 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 58 33.673 14.173 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 58 35.141 15.119 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 58 35.724 14.114 1.510 1.00 0.00 H new ATOM 0 HG3 LYS A 58 34.563 12.818 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 58 32.723 14.197 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 58 33.574 15.665 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 58 33.470 15.735 -0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 58 35.109 15.220 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 34.151 13.869 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 34.411 12.909 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 32.843 13.436 -1.085 1.00 0.00 H new ATOM 889 N ILE A 59 34.828 13.053 6.560 1.00 0.00 N ATOM 890 CA ILE A 59 34.900 13.436 7.965 1.00 0.00 C ATOM 891 C ILE A 59 36.055 12.731 8.668 1.00 0.00 C ATOM 892 O ILE A 59 36.474 13.134 9.753 1.00 0.00 O ATOM 893 CB ILE A 59 33.589 13.114 8.705 1.00 0.00 C ATOM 894 CG1 ILE A 59 33.552 11.637 9.103 1.00 0.00 C ATOM 895 CG2 ILE A 59 32.390 13.464 7.835 1.00 0.00 C ATOM 896 CD1 ILE A 59 32.423 11.295 10.049 1.00 0.00 C ATOM 0 H ILE A 59 34.110 12.361 6.348 1.00 0.00 H new ATOM 0 HA ILE A 59 35.065 14.513 7.990 1.00 0.00 H new ATOM 0 HB ILE A 59 33.544 13.717 9.612 1.00 0.00 H new ATOM 0 HG12 ILE A 59 33.458 11.029 8.203 1.00 0.00 H new ATOM 0 HG13 ILE A 59 34.500 11.371 9.570 1.00 0.00 H new ATOM 0 HG21 ILE A 59 31.470 13.231 8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 59 32.411 14.527 7.597 1.00 0.00 H new ATOM 0 HG23 ILE A 59 32.428 12.885 6.912 1.00 0.00 H new ATOM 0 HD11 ILE A 59 32.458 10.232 10.288 1.00 0.00 H new ATOM 0 HD12 ILE A 59 32.527 11.877 10.965 1.00 0.00 H new ATOM 0 HD13 ILE A 59 31.469 11.529 9.577 1.00 0.00 H new ATOM 908 N HIS A 60 36.566 11.675 8.042 1.00 0.00 N ATOM 909 CA HIS A 60 37.674 10.914 8.607 1.00 0.00 C ATOM 910 C HIS A 60 38.951 11.133 7.800 1.00 0.00 C ATOM 911 O HIS A 60 39.898 10.352 7.892 1.00 0.00 O ATOM 912 CB HIS A 60 37.331 9.425 8.645 1.00 0.00 C ATOM 913 CG HIS A 60 36.122 9.110 9.472 1.00 0.00 C ATOM 914 ND1 HIS A 60 36.006 9.463 10.800 1.00 0.00 N ATOM 915 CD2 HIS A 60 34.972 8.473 9.151 1.00 0.00 C ATOM 916 CE1 HIS A 60 34.837 9.055 11.261 1.00 0.00 C ATOM 917 NE2 HIS A 60 34.190 8.451 10.280 1.00 0.00 N ATOM 0 H HIS A 60 36.230 11.327 7.144 1.00 0.00 H new ATOM 0 HA HIS A 60 37.843 11.267 9.625 1.00 0.00 H new ATOM 0 HB2 HIS A 60 37.167 9.072 7.627 1.00 0.00 H new ATOM 0 HB3 HIS A 60 38.185 8.874 9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 60 34.717 8.059 8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 60 34.472 9.192 12.268 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.261 8.036 10.350 1.00 0.00 H new ATOM 1001 N TYR A 66 34.844 18.937 15.335 1.00 0.00 N ATOM 1002 CA TYR A 66 35.259 19.127 16.720 1.00 0.00 C ATOM 1003 C TYR A 66 36.359 18.141 17.100 1.00 0.00 C ATOM 1004 O TYR A 66 36.708 17.254 16.321 1.00 0.00 O ATOM 1005 CB TYR A 66 34.063 18.961 17.659 1.00 0.00 C ATOM 1006 CG TYR A 66 32.824 19.694 17.197 1.00 0.00 C ATOM 1007 CD1 TYR A 66 32.584 21.006 17.583 1.00 0.00 C ATOM 1008 CD2 TYR A 66 31.893 19.072 16.373 1.00 0.00 C ATOM 1009 CE1 TYR A 66 31.452 21.679 17.163 1.00 0.00 C ATOM 1010 CE2 TYR A 66 30.759 19.737 15.948 1.00 0.00 C ATOM 1011 CZ TYR A 66 30.543 21.040 16.346 1.00 0.00 C ATOM 1012 OH TYR A 66 29.415 21.707 15.925 1.00 0.00 O ATOM 0 HA TYR A 66 35.653 20.138 16.819 1.00 0.00 H new ATOM 0 HB2 TYR A 66 33.832 17.900 17.756 1.00 0.00 H new ATOM 0 HB3 TYR A 66 34.338 19.319 18.651 1.00 0.00 H new ATOM 0 HD1 TYR A 66 33.294 21.509 18.222 1.00 0.00 H new ATOM 0 HD2 TYR A 66 32.059 18.052 16.060 1.00 0.00 H new ATOM 0 HE1 TYR A 66 31.280 22.699 17.473 1.00 0.00 H new ATOM 0 HE2 TYR A 66 30.046 19.239 15.308 1.00 0.00 H new ATOM 0 HH TYR A 66 28.879 21.116 15.355 1.00 0.00 H new ATOM 1022 N GLU A 67 36.901 18.303 18.303 1.00 0.00 N ATOM 1023 CA GLU A 67 37.961 17.427 18.787 1.00 0.00 C ATOM 1024 C GLU A 67 38.262 17.698 20.258 1.00 0.00 C ATOM 1025 O GLU A 67 38.297 18.849 20.694 1.00 0.00 O ATOM 1026 CB GLU A 67 39.230 17.617 17.952 1.00 0.00 C ATOM 1027 CG GLU A 67 40.462 16.970 18.562 1.00 0.00 C ATOM 1028 CD GLU A 67 41.720 17.241 17.760 1.00 0.00 C ATOM 1029 OE1 GLU A 67 42.292 18.341 17.908 1.00 0.00 O ATOM 1030 OE2 GLU A 67 42.134 16.353 16.985 1.00 0.00 O ATOM 0 H GLU A 67 36.624 19.032 18.960 1.00 0.00 H new ATOM 0 HA GLU A 67 37.620 16.397 18.688 1.00 0.00 H new ATOM 0 HB2 GLU A 67 39.066 17.201 16.958 1.00 0.00 H new ATOM 0 HB3 GLU A 67 39.415 18.684 17.825 1.00 0.00 H new ATOM 0 HG2 GLU A 67 40.597 17.340 19.578 1.00 0.00 H new ATOM 0 HG3 GLU A 67 40.305 15.894 18.633 1.00 0.00 H new ATOM 1037 N CYS A 68 38.479 16.630 21.018 1.00 0.00 N ATOM 1038 CA CYS A 68 38.776 16.751 22.440 1.00 0.00 C ATOM 1039 C CYS A 68 40.126 17.429 22.658 1.00 0.00 C ATOM 1040 O CYS A 68 40.899 17.612 21.719 1.00 0.00 O ATOM 1041 CB CYS A 68 38.773 15.371 23.102 1.00 0.00 C ATOM 1042 SG CYS A 68 38.374 15.400 24.879 1.00 0.00 S ATOM 0 H CYS A 68 38.455 15.671 20.673 1.00 0.00 H new ATOM 0 HA CYS A 68 38.002 17.368 22.897 1.00 0.00 H new ATOM 0 HB2 CYS A 68 38.052 14.735 22.589 1.00 0.00 H new ATOM 0 HB3 CYS A 68 39.753 14.913 22.968 1.00 0.00 H new ATOM 0 HG CYS A 68 38.784 14.298 25.434 1.00 0.00 H new ATOM 1047 N ASN A 69 40.402 17.798 23.905 1.00 0.00 N ATOM 1048 CA ASN A 69 41.658 18.456 24.247 1.00 0.00 C ATOM 1049 C ASN A 69 42.568 17.515 25.031 1.00 0.00 C ATOM 1050 O ASN A 69 43.792 17.641 24.987 1.00 0.00 O ATOM 1051 CB ASN A 69 41.388 19.721 25.064 1.00 0.00 C ATOM 1052 CG ASN A 69 40.511 19.454 26.271 1.00 0.00 C ATOM 1053 OD1 ASN A 69 40.975 19.492 27.411 1.00 0.00 O ATOM 1054 ND2 ASN A 69 39.234 19.182 26.026 1.00 0.00 N ATOM 0 H ASN A 69 39.773 17.653 24.695 1.00 0.00 H new ATOM 0 HA ASN A 69 42.161 18.731 23.320 1.00 0.00 H new ATOM 0 HB2 ASN A 69 42.336 20.146 25.394 1.00 0.00 H new ATOM 0 HB3 ASN A 69 40.909 20.465 24.428 1.00 0.00 H new ATOM 0 HD21 ASN A 69 38.595 18.994 26.799 1.00 0.00 H new ATOM 0 HD22 ASN A 69 38.892 19.161 25.065 1.00 0.00 H new ATOM 1061 N ILE A 70 41.962 16.574 25.746 1.00 0.00 N ATOM 1062 CA ILE A 70 42.718 15.611 26.538 1.00 0.00 C ATOM 1063 C ILE A 70 43.214 14.457 25.674 1.00 0.00 C ATOM 1064 O ILE A 70 44.416 14.302 25.455 1.00 0.00 O ATOM 1065 CB ILE A 70 41.873 15.045 27.694 1.00 0.00 C ATOM 1066 CG1 ILE A 70 41.243 16.184 28.499 1.00 0.00 C ATOM 1067 CG2 ILE A 70 42.727 14.164 28.593 1.00 0.00 C ATOM 1068 CD1 ILE A 70 39.873 16.590 28.001 1.00 0.00 C ATOM 0 H ILE A 70 40.950 16.457 25.794 1.00 0.00 H new ATOM 0 HA ILE A 70 43.573 16.146 26.952 1.00 0.00 H new ATOM 0 HB ILE A 70 41.073 14.435 27.275 1.00 0.00 H new ATOM 0 HG12 ILE A 70 41.166 15.881 29.543 1.00 0.00 H new ATOM 0 HG13 ILE A 70 41.904 17.050 28.466 1.00 0.00 H new ATOM 0 HG21 ILE A 70 42.115 13.772 29.405 1.00 0.00 H new ATOM 0 HG22 ILE A 70 43.133 13.336 28.012 1.00 0.00 H new ATOM 0 HG23 ILE A 70 43.546 14.752 29.007 1.00 0.00 H new ATOM 0 HD11 ILE A 70 39.487 17.402 28.618 1.00 0.00 H new ATOM 0 HD12 ILE A 70 39.946 16.924 26.966 1.00 0.00 H new ATOM 0 HD13 ILE A 70 39.197 15.737 28.060 1.00 0.00 H new ATOM 1080 N CYS A 71 42.280 13.649 25.182 1.00 0.00 N ATOM 1081 CA CYS A 71 42.621 12.509 24.340 1.00 0.00 C ATOM 1082 C CYS A 71 42.751 12.932 22.880 1.00 0.00 C ATOM 1083 O CYS A 71 43.171 12.146 22.031 1.00 0.00 O ATOM 1084 CB CYS A 71 41.559 11.415 24.473 1.00 0.00 C ATOM 1085 SG CYS A 71 39.855 11.996 24.196 1.00 0.00 S ATOM 0 H CYS A 71 41.281 13.763 25.352 1.00 0.00 H new ATOM 0 HA CYS A 71 43.582 12.116 24.673 1.00 0.00 H new ATOM 0 HB2 CYS A 71 41.781 10.620 23.761 1.00 0.00 H new ATOM 0 HB3 CYS A 71 41.625 10.978 25.470 1.00 0.00 H new ATOM 0 HG CYS A 71 39.342 12.389 25.324 1.00 0.00 H new ATOM 1090 N ALA A 72 42.389 14.178 22.595 1.00 0.00 N ATOM 1091 CA ALA A 72 42.467 14.706 21.239 1.00 0.00 C ATOM 1092 C ALA A 72 41.584 13.907 20.287 1.00 0.00 C ATOM 1093 O ALA A 72 41.838 13.857 19.083 1.00 0.00 O ATOM 1094 CB ALA A 72 43.910 14.702 20.754 1.00 0.00 C ATOM 0 H ALA A 72 42.038 14.841 23.286 1.00 0.00 H new ATOM 0 HA ALA A 72 42.103 15.733 21.253 1.00 0.00 H new ATOM 0 HB1 ALA A 72 43.954 15.099 19.740 1.00 0.00 H new ATOM 0 HB2 ALA A 72 44.517 15.323 21.413 1.00 0.00 H new ATOM 0 HB3 ALA A 72 44.293 13.682 20.761 1.00 0.00 H new ATOM 1100 N LYS A 73 40.546 13.284 20.833 1.00 0.00 N ATOM 1101 CA LYS A 73 39.624 12.487 20.033 1.00 0.00 C ATOM 1102 C LYS A 73 38.844 13.368 19.063 1.00 0.00 C ATOM 1103 O LYS A 73 38.696 14.571 19.284 1.00 0.00 O ATOM 1104 CB LYS A 73 38.654 11.726 20.940 1.00 0.00 C ATOM 1105 CG LYS A 73 39.186 10.382 21.407 1.00 0.00 C ATOM 1106 CD LYS A 73 38.166 9.645 22.259 1.00 0.00 C ATOM 1107 CE LYS A 73 38.770 8.408 22.906 1.00 0.00 C ATOM 1108 NZ LYS A 73 38.884 7.278 21.944 1.00 0.00 N ATOM 0 H LYS A 73 40.322 13.316 21.828 1.00 0.00 H new ATOM 0 HA LYS A 73 40.209 11.771 19.456 1.00 0.00 H new ATOM 0 HB2 LYS A 73 38.427 12.340 21.811 1.00 0.00 H new ATOM 0 HB3 LYS A 73 37.716 11.571 20.406 1.00 0.00 H new ATOM 0 HG2 LYS A 73 39.448 9.773 20.542 1.00 0.00 H new ATOM 0 HG3 LYS A 73 40.101 10.531 21.980 1.00 0.00 H new ATOM 0 HD2 LYS A 73 37.786 10.313 23.032 1.00 0.00 H new ATOM 0 HD3 LYS A 73 37.316 9.356 21.642 1.00 0.00 H new ATOM 0 HE2 LYS A 73 39.757 8.650 23.301 1.00 0.00 H new ATOM 0 HE3 LYS A 73 38.154 8.104 23.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 39.300 6.454 22.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 37.939 7.030 21.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 39.492 7.559 21.149 1.00 0.00 H new ATOM 1122 N ARG A 74 38.345 12.763 17.990 1.00 0.00 N ATOM 1123 CA ARG A 74 37.580 13.494 16.987 1.00 0.00 C ATOM 1124 C ARG A 74 36.135 13.004 16.942 1.00 0.00 C ATOM 1125 O ARG A 74 35.878 11.801 16.898 1.00 0.00 O ATOM 1126 CB ARG A 74 38.225 13.338 15.609 1.00 0.00 C ATOM 1127 CG ARG A 74 39.675 13.792 15.560 1.00 0.00 C ATOM 1128 CD ARG A 74 40.408 13.191 14.371 1.00 0.00 C ATOM 1129 NE ARG A 74 40.573 11.746 14.504 1.00 0.00 N ATOM 1130 CZ ARG A 74 41.546 11.180 15.209 1.00 0.00 C ATOM 1131 NH1 ARG A 74 42.435 11.932 15.842 1.00 0.00 N ATOM 1132 NH2 ARG A 74 41.631 9.857 15.283 1.00 0.00 N ATOM 0 H ARG A 74 38.457 11.768 17.793 1.00 0.00 H new ATOM 0 HA ARG A 74 37.580 14.548 17.264 1.00 0.00 H new ATOM 0 HB2 ARG A 74 38.170 12.292 15.308 1.00 0.00 H new ATOM 0 HB3 ARG A 74 37.649 13.910 14.881 1.00 0.00 H new ATOM 0 HG2 ARG A 74 39.715 14.880 15.501 1.00 0.00 H new ATOM 0 HG3 ARG A 74 40.179 13.504 16.483 1.00 0.00 H new ATOM 0 HD2 ARG A 74 39.857 13.410 13.457 1.00 0.00 H new ATOM 0 HD3 ARG A 74 41.387 13.660 14.274 1.00 0.00 H new ATOM 0 HE ARG A 74 39.905 11.139 14.030 1.00 0.00 H new ATOM 0 HH11 ARG A 74 42.373 12.949 15.789 1.00 0.00 H new ATOM 0 HH12 ARG A 74 43.181 11.494 16.383 1.00 0.00 H new ATOM 0 HH21 ARG A 74 40.949 9.274 14.798 1.00 0.00 H new ATOM 0 HH22 ARG A 74 42.379 9.423 15.825 1.00 0.00 H new ATOM 1146 N PHE A 75 35.196 13.944 16.955 1.00 0.00 N ATOM 1147 CA PHE A 75 33.778 13.608 16.917 1.00 0.00 C ATOM 1148 C PHE A 75 33.091 14.279 15.731 1.00 0.00 C ATOM 1149 O PHE A 75 33.486 15.363 15.304 1.00 0.00 O ATOM 1150 CB PHE A 75 33.097 14.032 18.221 1.00 0.00 C ATOM 1151 CG PHE A 75 33.609 13.302 19.429 1.00 0.00 C ATOM 1152 CD1 PHE A 75 34.822 13.649 20.002 1.00 0.00 C ATOM 1153 CD2 PHE A 75 32.878 12.268 19.991 1.00 0.00 C ATOM 1154 CE1 PHE A 75 35.296 12.979 21.114 1.00 0.00 C ATOM 1155 CE2 PHE A 75 33.347 11.595 21.104 1.00 0.00 C ATOM 1156 CZ PHE A 75 34.558 11.950 21.665 1.00 0.00 C ATOM 0 H PHE A 75 35.392 14.944 16.992 1.00 0.00 H new ATOM 0 HA PHE A 75 33.689 12.528 16.802 1.00 0.00 H new ATOM 0 HB2 PHE A 75 33.241 15.103 18.365 1.00 0.00 H new ATOM 0 HB3 PHE A 75 32.024 13.864 18.132 1.00 0.00 H new ATOM 0 HD1 PHE A 75 35.404 14.452 19.575 1.00 0.00 H new ATOM 0 HD2 PHE A 75 31.931 11.985 19.555 1.00 0.00 H new ATOM 0 HE1 PHE A 75 36.243 13.260 21.552 1.00 0.00 H new ATOM 0 HE2 PHE A 75 32.767 10.792 21.534 1.00 0.00 H new ATOM 0 HZ PHE A 75 34.927 11.424 22.533 1.00 0.00 H new ATOM 1166 N MET A 76 32.062 13.625 15.203 1.00 0.00 N ATOM 1167 CA MET A 76 31.320 14.157 14.066 1.00 0.00 C ATOM 1168 C MET A 76 30.137 14.998 14.535 1.00 0.00 C ATOM 1169 O MET A 76 29.878 16.075 13.998 1.00 0.00 O ATOM 1170 CB MET A 76 30.828 13.018 13.172 1.00 0.00 C ATOM 1171 CG MET A 76 29.645 12.259 13.751 1.00 0.00 C ATOM 1172 SD MET A 76 29.210 10.804 12.778 1.00 0.00 S ATOM 1173 CE MET A 76 28.191 11.542 11.502 1.00 0.00 C ATOM 0 H MET A 76 31.723 12.726 15.544 1.00 0.00 H new ATOM 0 HA MET A 76 31.992 14.795 13.492 1.00 0.00 H new ATOM 0 HB2 MET A 76 30.548 13.425 12.200 1.00 0.00 H new ATOM 0 HB3 MET A 76 31.648 12.321 13.001 1.00 0.00 H new ATOM 0 HG2 MET A 76 29.879 11.953 14.771 1.00 0.00 H new ATOM 0 HG3 MET A 76 28.784 12.925 13.807 1.00 0.00 H new ATOM 0 HE1 MET A 76 28.252 10.941 10.595 1.00 0.00 H new ATOM 0 HE2 MET A 76 27.156 11.583 11.841 1.00 0.00 H new ATOM 0 HE3 MET A 76 28.544 12.552 11.293 1.00 0.00 H new ATOM 1183 N TRP A 77 29.424 14.500 15.539 1.00 0.00 N ATOM 1184 CA TRP A 77 28.268 15.207 16.079 1.00 0.00 C ATOM 1185 C TRP A 77 28.701 16.281 17.070 1.00 0.00 C ATOM 1186 O TRP A 77 29.826 16.260 17.570 1.00 0.00 O ATOM 1187 CB TRP A 77 27.315 14.222 16.759 1.00 0.00 C ATOM 1188 CG TRP A 77 26.820 13.145 15.843 1.00 0.00 C ATOM 1189 CD1 TRP A 77 27.361 11.902 15.671 1.00 0.00 C ATOM 1190 CD2 TRP A 77 25.687 13.215 14.971 1.00 0.00 C ATOM 1191 NE1 TRP A 77 26.631 11.196 14.745 1.00 0.00 N ATOM 1192 CE2 TRP A 77 25.599 11.979 14.301 1.00 0.00 C ATOM 1193 CE3 TRP A 77 24.736 14.201 14.692 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 24.599 11.706 13.371 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 23.745 13.929 13.769 1.00 0.00 C ATOM 1196 CH2 TRP A 77 23.682 12.689 13.118 1.00 0.00 C ATOM 0 H TRP A 77 29.626 13.610 15.995 1.00 0.00 H new ATOM 0 HA TRP A 77 27.750 15.691 15.251 1.00 0.00 H new ATOM 0 HB2 TRP A 77 27.823 13.763 17.607 1.00 0.00 H new ATOM 0 HB3 TRP A 77 26.462 14.770 17.158 1.00 0.00 H new ATOM 0 HD1 TRP A 77 28.234 11.529 16.187 1.00 0.00 H new ATOM 0 HE1 TRP A 77 26.826 10.243 14.438 1.00 0.00 H new ATOM 0 HE3 TRP A 77 24.775 15.159 15.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 24.549 10.752 12.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 23.006 14.684 13.545 1.00 0.00 H new ATOM 0 HH2 TRP A 77 22.894 12.506 12.403 1.00 0.00 H new ATOM 1207 N ARG A 78 27.802 17.219 17.349 1.00 0.00 N ATOM 1208 CA ARG A 78 28.093 18.303 18.280 1.00 0.00 C ATOM 1209 C ARG A 78 27.694 17.920 19.702 1.00 0.00 C ATOM 1210 O ARG A 78 28.466 18.101 20.644 1.00 0.00 O ATOM 1211 CB ARG A 78 27.358 19.577 17.859 1.00 0.00 C ATOM 1212 CG ARG A 78 27.595 20.754 18.791 1.00 0.00 C ATOM 1213 CD ARG A 78 26.645 21.903 18.491 1.00 0.00 C ATOM 1214 NE ARG A 78 25.340 21.711 19.118 1.00 0.00 N ATOM 1215 CZ ARG A 78 24.226 22.294 18.689 1.00 0.00 C ATOM 1216 NH1 ARG A 78 24.259 23.100 17.637 1.00 0.00 N ATOM 1217 NH2 ARG A 78 23.077 22.071 19.313 1.00 0.00 N ATOM 0 H ARG A 78 26.866 17.250 16.944 1.00 0.00 H new ATOM 0 HA ARG A 78 29.167 18.487 18.259 1.00 0.00 H new ATOM 0 HB2 ARG A 78 27.673 19.852 16.853 1.00 0.00 H new ATOM 0 HB3 ARG A 78 26.289 19.371 17.813 1.00 0.00 H new ATOM 0 HG2 ARG A 78 27.464 20.433 19.824 1.00 0.00 H new ATOM 0 HG3 ARG A 78 28.625 21.097 18.691 1.00 0.00 H new ATOM 0 HD2 ARG A 78 27.083 22.837 18.843 1.00 0.00 H new ATOM 0 HD3 ARG A 78 26.519 21.997 17.412 1.00 0.00 H new ATOM 0 HE ARG A 78 25.281 21.096 19.929 1.00 0.00 H new ATOM 0 HH11 ARG A 78 25.141 23.274 17.155 1.00 0.00 H new ATOM 0 HH12 ARG A 78 23.402 23.546 17.310 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.048 21.452 20.123 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.222 22.519 18.983 1.00 0.00 H new ATOM 1231 N ASP A 79 26.485 17.391 19.850 1.00 0.00 N ATOM 1232 CA ASP A 79 25.983 16.981 21.156 1.00 0.00 C ATOM 1233 C ASP A 79 26.902 15.941 21.789 1.00 0.00 C ATOM 1234 O ASP A 79 27.273 16.054 22.958 1.00 0.00 O ATOM 1235 CB ASP A 79 24.566 16.419 21.030 1.00 0.00 C ATOM 1236 CG ASP A 79 23.511 17.508 21.009 1.00 0.00 C ATOM 1237 OD1 ASP A 79 23.120 17.975 22.098 1.00 0.00 O ATOM 1238 OD2 ASP A 79 23.077 17.892 19.902 1.00 0.00 O ATOM 0 H ASP A 79 25.833 17.236 19.081 1.00 0.00 H new ATOM 0 HA ASP A 79 25.960 17.860 21.800 1.00 0.00 H new ATOM 0 HB2 ASP A 79 24.492 15.828 20.117 1.00 0.00 H new ATOM 0 HB3 ASP A 79 24.371 15.744 21.863 1.00 0.00 H new ATOM 1243 N SER A 80 27.263 14.926 21.011 1.00 0.00 N ATOM 1244 CA SER A 80 28.135 13.862 21.496 1.00 0.00 C ATOM 1245 C SER A 80 29.516 14.408 21.845 1.00 0.00 C ATOM 1246 O SER A 80 30.119 14.012 22.843 1.00 0.00 O ATOM 1247 CB SER A 80 28.261 12.758 20.445 1.00 0.00 C ATOM 1248 OG SER A 80 27.210 11.815 20.568 1.00 0.00 O ATOM 0 H SER A 80 26.965 14.818 20.041 1.00 0.00 H new ATOM 0 HA SER A 80 27.690 13.445 22.399 1.00 0.00 H new ATOM 0 HB2 SER A 80 28.245 13.197 19.448 1.00 0.00 H new ATOM 0 HB3 SER A 80 29.221 12.254 20.556 1.00 0.00 H new ATOM 0 HG SER A 80 27.312 11.121 19.884 1.00 0.00 H new ATOM 1254 N PHE A 81 30.012 15.320 21.016 1.00 0.00 N ATOM 1255 CA PHE A 81 31.322 15.921 21.235 1.00 0.00 C ATOM 1256 C PHE A 81 31.408 16.549 22.623 1.00 0.00 C ATOM 1257 O PHE A 81 32.190 16.112 23.468 1.00 0.00 O ATOM 1258 CB PHE A 81 31.607 16.978 20.166 1.00 0.00 C ATOM 1259 CG PHE A 81 32.605 18.014 20.598 1.00 0.00 C ATOM 1260 CD1 PHE A 81 33.940 17.682 20.764 1.00 0.00 C ATOM 1261 CD2 PHE A 81 32.209 19.319 20.839 1.00 0.00 C ATOM 1262 CE1 PHE A 81 34.862 18.633 21.162 1.00 0.00 C ATOM 1263 CE2 PHE A 81 33.125 20.274 21.237 1.00 0.00 C ATOM 1264 CZ PHE A 81 34.453 19.930 21.399 1.00 0.00 C ATOM 0 H PHE A 81 29.526 15.659 20.186 1.00 0.00 H new ATOM 0 HA PHE A 81 32.071 15.133 21.166 1.00 0.00 H new ATOM 0 HB2 PHE A 81 31.975 16.484 19.267 1.00 0.00 H new ATOM 0 HB3 PHE A 81 30.674 17.473 19.899 1.00 0.00 H new ATOM 0 HD1 PHE A 81 34.264 16.668 20.580 1.00 0.00 H new ATOM 0 HD2 PHE A 81 31.172 19.594 20.714 1.00 0.00 H new ATOM 0 HE1 PHE A 81 35.900 18.361 21.287 1.00 0.00 H new ATOM 0 HE2 PHE A 81 32.803 21.288 21.421 1.00 0.00 H new ATOM 0 HZ PHE A 81 35.170 20.675 21.711 1.00 0.00 H new ATOM 1274 N HIS A 82 30.597 17.578 22.851 1.00 0.00 N ATOM 1275 CA HIS A 82 30.581 18.267 24.136 1.00 0.00 C ATOM 1276 C HIS A 82 30.260 17.297 25.269 1.00 0.00 C ATOM 1277 O HIS A 82 30.812 17.403 26.365 1.00 0.00 O ATOM 1278 CB HIS A 82 29.556 19.402 24.117 1.00 0.00 C ATOM 1279 CG HIS A 82 30.043 20.636 23.422 1.00 0.00 C ATOM 1280 ND1 HIS A 82 29.772 20.911 22.098 1.00 0.00 N ATOM 1281 CD2 HIS A 82 30.786 21.673 23.875 1.00 0.00 C ATOM 1282 CE1 HIS A 82 30.329 22.062 21.766 1.00 0.00 C ATOM 1283 NE2 HIS A 82 30.950 22.545 22.827 1.00 0.00 N ATOM 0 H HIS A 82 29.943 17.952 22.163 1.00 0.00 H new ATOM 0 HA HIS A 82 31.573 18.685 24.308 1.00 0.00 H new ATOM 0 HB2 HIS A 82 28.648 19.052 23.626 1.00 0.00 H new ATOM 0 HB3 HIS A 82 29.287 19.655 25.143 1.00 0.00 H new ATOM 0 HD2 HIS A 82 31.177 21.792 24.875 1.00 0.00 H new ATOM 0 HE1 HIS A 82 30.284 22.528 20.793 1.00 0.00 H new ATOM 0 HE2 HIS A 82 31.467 23.423 22.862 1.00 0.00 H new ATOM 1291 N ARG A 83 29.366 16.352 24.998 1.00 0.00 N ATOM 1292 CA ARG A 83 28.971 15.364 25.995 1.00 0.00 C ATOM 1293 C ARG A 83 30.185 14.597 26.511 1.00 0.00 C ATOM 1294 O ARG A 83 30.353 14.419 27.717 1.00 0.00 O ATOM 1295 CB ARG A 83 27.953 14.389 25.402 1.00 0.00 C ATOM 1296 CG ARG A 83 27.655 13.199 26.299 1.00 0.00 C ATOM 1297 CD ARG A 83 26.670 12.241 25.647 1.00 0.00 C ATOM 1298 NE ARG A 83 25.285 12.599 25.938 1.00 0.00 N ATOM 1299 CZ ARG A 83 24.743 12.517 27.148 1.00 0.00 C ATOM 1300 NH1 ARG A 83 25.467 12.093 28.174 1.00 0.00 N ATOM 1301 NH2 ARG A 83 23.475 12.861 27.333 1.00 0.00 N ATOM 0 H ARG A 83 28.901 16.250 24.096 1.00 0.00 H new ATOM 0 HA ARG A 83 28.514 15.892 26.832 1.00 0.00 H new ATOM 0 HB2 ARG A 83 27.025 14.924 25.202 1.00 0.00 H new ATOM 0 HB3 ARG A 83 28.325 14.027 24.444 1.00 0.00 H new ATOM 0 HG2 ARG A 83 28.582 12.671 26.525 1.00 0.00 H new ATOM 0 HG3 ARG A 83 27.249 13.550 27.248 1.00 0.00 H new ATOM 0 HD2 ARG A 83 26.825 12.240 24.568 1.00 0.00 H new ATOM 0 HD3 ARG A 83 26.864 11.227 25.998 1.00 0.00 H new ATOM 0 HE ARG A 83 24.701 12.930 25.170 1.00 0.00 H new ATOM 0 HH11 ARG A 83 26.442 11.829 28.035 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.049 12.031 29.102 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.915 13.189 26.546 1.00 0.00 H new ATOM 0 HH22 ARG A 83 23.060 12.798 28.263 1.00 0.00 H new ATOM 1315 N HIS A 84 31.029 14.146 25.588 1.00 0.00 N ATOM 1316 CA HIS A 84 32.228 13.398 25.950 1.00 0.00 C ATOM 1317 C HIS A 84 33.251 14.305 26.627 1.00 0.00 C ATOM 1318 O HIS A 84 33.653 14.065 27.765 1.00 0.00 O ATOM 1319 CB HIS A 84 32.845 12.751 24.709 1.00 0.00 C ATOM 1320 CG HIS A 84 34.302 12.440 24.858 1.00 0.00 C ATOM 1321 ND1 HIS A 84 34.787 11.157 24.998 1.00 0.00 N ATOM 1322 CD2 HIS A 84 35.383 13.254 24.886 1.00 0.00 C ATOM 1323 CE1 HIS A 84 36.103 11.195 25.108 1.00 0.00 C ATOM 1324 NE2 HIS A 84 36.490 12.456 25.042 1.00 0.00 N ATOM 0 H HIS A 84 30.905 14.285 24.585 1.00 0.00 H new ATOM 0 HA HIS A 84 31.940 12.617 26.653 1.00 0.00 H new ATOM 0 HB2 HIS A 84 32.307 11.830 24.483 1.00 0.00 H new ATOM 0 HB3 HIS A 84 32.709 13.417 23.857 1.00 0.00 H new ATOM 0 HD2 HIS A 84 35.376 14.331 24.801 1.00 0.00 H new ATOM 0 HE1 HIS A 84 36.752 10.340 25.231 1.00 0.00 H new ATOM 0 HE2 HIS A 84 37.454 12.784 25.098 1.00 0.00 H new ATOM 1332 N VAL A 85 33.669 15.350 25.918 1.00 0.00 N ATOM 1333 CA VAL A 85 34.645 16.293 26.450 1.00 0.00 C ATOM 1334 C VAL A 85 34.314 16.673 27.889 1.00 0.00 C ATOM 1335 O VAL A 85 35.195 16.724 28.748 1.00 0.00 O ATOM 1336 CB VAL A 85 34.712 17.573 25.595 1.00 0.00 C ATOM 1337 CG1 VAL A 85 35.805 18.499 26.106 1.00 0.00 C ATOM 1338 CG2 VAL A 85 34.938 17.224 24.132 1.00 0.00 C ATOM 0 H VAL A 85 33.347 15.564 24.974 1.00 0.00 H new ATOM 0 HA VAL A 85 35.614 15.795 26.423 1.00 0.00 H new ATOM 0 HB VAL A 85 33.759 18.095 25.677 1.00 0.00 H new ATOM 0 HG11 VAL A 85 35.838 19.398 25.490 1.00 0.00 H new ATOM 0 HG12 VAL A 85 35.595 18.775 27.139 1.00 0.00 H new ATOM 0 HG13 VAL A 85 36.767 17.989 26.055 1.00 0.00 H new ATOM 0 HG21 VAL A 85 34.983 18.140 23.542 1.00 0.00 H new ATOM 0 HG22 VAL A 85 35.877 16.680 24.029 1.00 0.00 H new ATOM 0 HG23 VAL A 85 34.117 16.602 23.775 1.00 0.00 H new ATOM 1348 N THR A 86 33.038 16.939 28.146 1.00 0.00 N ATOM 1349 CA THR A 86 32.589 17.315 29.481 1.00 0.00 C ATOM 1350 C THR A 86 33.121 16.348 30.533 1.00 0.00 C ATOM 1351 O THR A 86 33.575 16.763 31.599 1.00 0.00 O ATOM 1352 CB THR A 86 31.052 17.355 29.567 1.00 0.00 C ATOM 1353 OG1 THR A 86 30.534 18.310 28.636 1.00 0.00 O ATOM 1354 CG2 THR A 86 30.598 17.713 30.974 1.00 0.00 C ATOM 0 H THR A 86 32.296 16.901 27.447 1.00 0.00 H new ATOM 0 HA THR A 86 32.982 18.313 29.677 1.00 0.00 H new ATOM 0 HB THR A 86 30.671 16.364 29.320 1.00 0.00 H new ATOM 0 HG1 THR A 86 30.832 18.080 27.731 1.00 0.00 H new ATOM 0 HG21 THR A 86 29.509 17.735 31.010 1.00 0.00 H new ATOM 0 HG22 THR A 86 30.969 16.967 31.677 1.00 0.00 H new ATOM 0 HG23 THR A 86 30.990 18.693 31.244 1.00 0.00 H new ATOM 1362 N SER A 87 33.063 15.056 30.225 1.00 0.00 N ATOM 1363 CA SER A 87 33.536 14.029 31.145 1.00 0.00 C ATOM 1364 C SER A 87 35.049 13.860 31.040 1.00 0.00 C ATOM 1365 O SER A 87 35.758 13.868 32.046 1.00 0.00 O ATOM 1366 CB SER A 87 32.841 12.697 30.857 1.00 0.00 C ATOM 1367 OG SER A 87 31.630 12.585 31.585 1.00 0.00 O ATOM 0 H SER A 87 32.693 14.696 29.345 1.00 0.00 H new ATOM 0 HA SER A 87 33.293 14.345 32.159 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.636 12.614 29.790 1.00 0.00 H new ATOM 0 HB3 SER A 87 33.504 11.873 31.120 1.00 0.00 H new ATOM 0 HG SER A 87 31.205 11.726 31.382 1.00 0.00 H new ATOM 1373 N CYS A 88 35.536 13.707 29.813 1.00 0.00 N ATOM 1374 CA CYS A 88 36.964 13.535 29.573 1.00 0.00 C ATOM 1375 C CYS A 88 37.777 14.525 30.402 1.00 0.00 C ATOM 1376 O CYS A 88 38.896 14.228 30.824 1.00 0.00 O ATOM 1377 CB CYS A 88 37.278 13.719 28.087 1.00 0.00 C ATOM 1378 SG CYS A 88 38.857 12.976 27.564 1.00 0.00 S ATOM 0 H CYS A 88 34.963 13.699 28.969 1.00 0.00 H new ATOM 0 HA CYS A 88 37.239 12.524 29.873 1.00 0.00 H new ATOM 0 HB2 CYS A 88 36.471 13.282 27.499 1.00 0.00 H new ATOM 0 HB3 CYS A 88 37.297 14.785 27.860 1.00 0.00 H new ATOM 0 HG CYS A 88 39.718 13.060 28.534 1.00 0.00 H new ATOM 1383 N THR A 89 37.208 15.704 30.633 1.00 0.00 N ATOM 1384 CA THR A 89 37.880 16.738 31.410 1.00 0.00 C ATOM 1385 C THR A 89 37.767 16.462 32.905 1.00 0.00 C ATOM 1386 O THR A 89 38.752 16.552 33.639 1.00 0.00 O ATOM 1387 CB THR A 89 37.297 18.133 31.111 1.00 0.00 C ATOM 1388 OG1 THR A 89 37.041 18.266 29.709 1.00 0.00 O ATOM 1389 CG2 THR A 89 38.253 19.226 31.564 1.00 0.00 C ATOM 0 H THR A 89 36.283 15.967 30.293 1.00 0.00 H new ATOM 0 HA THR A 89 38.930 16.721 31.118 1.00 0.00 H new ATOM 0 HB THR A 89 36.362 18.239 31.662 1.00 0.00 H new ATOM 0 HG1 THR A 89 36.190 17.832 29.489 1.00 0.00 H new ATOM 0 HG21 THR A 89 37.821 20.202 31.343 1.00 0.00 H new ATOM 0 HG22 THR A 89 38.423 19.139 32.637 1.00 0.00 H new ATOM 0 HG23 THR A 89 39.201 19.121 31.037 1.00 0.00 H new ATOM 1397 N LYS A 90 36.562 16.126 33.351 1.00 0.00 N ATOM 1398 CA LYS A 90 36.320 15.835 34.759 1.00 0.00 C ATOM 1399 C LYS A 90 37.537 15.169 35.393 1.00 0.00 C ATOM 1400 O LYS A 90 38.017 15.601 36.441 1.00 0.00 O ATOM 1401 CB LYS A 90 35.094 14.931 34.911 1.00 0.00 C ATOM 1402 CG LYS A 90 33.777 15.650 34.677 1.00 0.00 C ATOM 1403 CD LYS A 90 33.401 16.526 35.860 1.00 0.00 C ATOM 1404 CE LYS A 90 32.853 15.699 37.014 1.00 0.00 C ATOM 1405 NZ LYS A 90 31.375 15.534 36.924 1.00 0.00 N ATOM 0 H LYS A 90 35.736 16.048 32.757 1.00 0.00 H new ATOM 0 HA LYS A 90 36.134 16.778 35.273 1.00 0.00 H new ATOM 0 HB2 LYS A 90 35.175 14.101 34.209 1.00 0.00 H new ATOM 0 HB3 LYS A 90 35.091 14.502 35.913 1.00 0.00 H new ATOM 0 HG2 LYS A 90 33.851 16.263 33.779 1.00 0.00 H new ATOM 0 HG3 LYS A 90 32.989 14.918 34.500 1.00 0.00 H new ATOM 0 HD2 LYS A 90 34.276 17.084 36.194 1.00 0.00 H new ATOM 0 HD3 LYS A 90 32.656 17.258 35.550 1.00 0.00 H new ATOM 0 HE2 LYS A 90 33.329 14.718 37.016 1.00 0.00 H new ATOM 0 HE3 LYS A 90 33.108 16.179 37.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 31.040 14.965 37.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 30.919 16.469 36.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 31.133 15.053 36.034 1.00 0.00 H new ATOM 1419 N SER A 91 38.032 14.116 34.751 1.00 0.00 N ATOM 1420 CA SER A 91 39.192 13.389 35.254 1.00 0.00 C ATOM 1421 C SER A 91 40.453 14.242 35.153 1.00 0.00 C ATOM 1422 O SER A 91 41.265 14.283 36.078 1.00 0.00 O ATOM 1423 CB SER A 91 39.380 12.085 34.477 1.00 0.00 C ATOM 1424 OG SER A 91 40.599 11.453 34.828 1.00 0.00 O ATOM 0 H SER A 91 37.648 13.747 33.881 1.00 0.00 H new ATOM 0 HA SER A 91 39.016 13.155 36.304 1.00 0.00 H new ATOM 0 HB2 SER A 91 38.546 11.413 34.681 1.00 0.00 H new ATOM 0 HB3 SER A 91 39.369 12.291 33.407 1.00 0.00 H new ATOM 0 HG SER A 91 40.695 10.621 34.319 1.00 0.00 H new ATOM 1430 N TYR A 92 40.611 14.921 34.022 1.00 0.00 N ATOM 1431 CA TYR A 92 41.774 15.771 33.797 1.00 0.00 C ATOM 1432 C TYR A 92 41.897 16.826 34.892 1.00 0.00 C ATOM 1433 O TYR A 92 42.943 16.956 35.528 1.00 0.00 O ATOM 1434 CB TYR A 92 41.679 16.449 32.429 1.00 0.00 C ATOM 1435 CG TYR A 92 42.900 17.267 32.072 1.00 0.00 C ATOM 1436 CD1 TYR A 92 43.228 18.410 32.791 1.00 0.00 C ATOM 1437 CD2 TYR A 92 43.724 16.897 31.017 1.00 0.00 C ATOM 1438 CE1 TYR A 92 44.342 19.160 32.468 1.00 0.00 C ATOM 1439 CE2 TYR A 92 44.841 17.640 30.689 1.00 0.00 C ATOM 1440 CZ TYR A 92 45.146 18.771 31.417 1.00 0.00 C ATOM 1441 OH TYR A 92 46.257 19.515 31.092 1.00 0.00 O ATOM 0 H TYR A 92 39.948 14.899 33.247 1.00 0.00 H new ATOM 0 HA TYR A 92 42.663 15.141 33.822 1.00 0.00 H new ATOM 0 HB2 TYR A 92 41.527 15.687 31.665 1.00 0.00 H new ATOM 0 HB3 TYR A 92 40.802 17.096 32.414 1.00 0.00 H new ATOM 0 HD1 TYR A 92 42.602 18.717 33.616 1.00 0.00 H new ATOM 0 HD2 TYR A 92 43.487 16.013 30.443 1.00 0.00 H new ATOM 0 HE1 TYR A 92 44.582 20.047 33.036 1.00 0.00 H new ATOM 0 HE2 TYR A 92 45.472 17.337 29.867 1.00 0.00 H new ATOM 0 HH TYR A 92 46.714 19.104 30.329 1.00 0.00 H new ATOM 1451 N GLU A 93 40.821 17.577 35.106 1.00 0.00 N ATOM 1452 CA GLU A 93 40.809 18.621 36.124 1.00 0.00 C ATOM 1453 C GLU A 93 41.062 18.033 37.510 1.00 0.00 C ATOM 1454 O GLU A 93 41.858 18.562 38.284 1.00 0.00 O ATOM 1455 CB GLU A 93 39.470 19.362 36.110 1.00 0.00 C ATOM 1456 CG GLU A 93 39.396 20.463 35.065 1.00 0.00 C ATOM 1457 CD GLU A 93 38.252 21.427 35.314 1.00 0.00 C ATOM 1458 OE1 GLU A 93 38.375 22.269 36.228 1.00 0.00 O ATOM 1459 OE2 GLU A 93 37.235 21.340 34.595 1.00 0.00 O ATOM 0 H GLU A 93 39.947 17.482 34.588 1.00 0.00 H new ATOM 0 HA GLU A 93 41.609 19.325 35.895 1.00 0.00 H new ATOM 0 HB2 GLU A 93 38.669 18.645 35.928 1.00 0.00 H new ATOM 0 HB3 GLU A 93 39.293 19.794 37.095 1.00 0.00 H new ATOM 0 HG2 GLU A 93 40.336 21.015 35.057 1.00 0.00 H new ATOM 0 HG3 GLU A 93 39.281 20.015 34.078 1.00 0.00 H new