USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=26 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 -160:sc= -0.157 USER MOD Set 1.2: A 71 CYS SG : rot -94:sc= -0.311 USER MOD Set 1.3: A 84 HIS : no HD1:sc= -3.42! X(o=-3.8!,f=-3.9) USER MOD Set 1.4: A 88 CYS SG : rot -32:sc= 0.112 USER MOD Set 2.1: A 40 CYS SG : rot 10:sc= -1.95 USER MOD Set 2.2: A 43 CYS SG : rot -62:sc= -1.02 USER MOD Set 2.3: A 56 HIS : no HD1:sc= -7.2! K(o=-20!,f=-19) USER MOD Set 2.4: A 57 MET CE :methyl 175:sc= -4.9! (180deg=-3.22!) USER MOD Set 2.5: A 60 HIS : no HD1:sc= -5.19! C(o=-20!,f=-20!) USER MOD Set 3.1: A 13 CYS SG : rot -172:sc= 0.575 USER MOD Set 3.2: A 15 CYS SG : rot -67:sc= 0.807 USER MOD Set 3.3: A 28 HIS : no HD1:sc= -0.971 K(o=-3.2,f=-8.2) USER MOD Set 3.4: A 31 MET CE :methyl -167:sc= -1.01 (180deg=0) USER MOD Set 3.5: A 32 HIS : no HD1:sc= -2.64 K(o=-3.2,f=-5.7!) USER MOD Set 4.1: A 21 HIS : no HD1:sc= -0.11 K(o=-3.6,f=-5.2) USER MOD Set 4.2: A 23 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 24 GLN : amide:sc= -3.45! C(o=-3.6!,f=-7.8!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 29 MET CE :methyl 146:sc= -0.596 (180deg=-2.54!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= -0.0291 (180deg=-0.242) USER MOD Single : A 51 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-7.5!) USER MOD Single : A 52 HIS : no HD1:sc= -1.02 K(o=-1,f=-2.2!) USER MOD Single : A 58 LYS NZ :NH3+ -133:sc= -1.64 (180deg=-3.47!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0.399 USER MOD Single : A 69 ASN : amide:sc= -0.0479 K(o=-0.048,f=-1.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -126:sc= -1.54 (180deg=-5.56!) USER MOD Single : A 80 SER OG : rot -108:sc= 0.0127 USER MOD Single : A 82 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.3) USER MOD Single : A 86 THR OG1 : rot 107:sc= 1.15 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 69:sc= 0.733 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 1.981 6.757 16.815 1.00 0.00 N ATOM 120 CA TYR A 11 3.432 6.756 16.965 1.00 0.00 C ATOM 121 C TYR A 11 4.118 7.015 15.627 1.00 0.00 C ATOM 122 O TYR A 11 3.916 6.297 14.647 1.00 0.00 O ATOM 123 CB TYR A 11 3.904 5.422 17.543 1.00 0.00 C ATOM 124 CG TYR A 11 3.306 5.102 18.895 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.962 4.775 19.022 1.00 0.00 C ATOM 126 CD2 TYR A 11 4.086 5.125 20.044 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.411 4.483 20.254 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.544 4.832 21.281 1.00 0.00 C ATOM 129 CZ TYR A 11 2.206 4.513 21.381 1.00 0.00 C ATOM 130 OH TYR A 11 1.662 4.221 22.611 1.00 0.00 O ATOM 0 HA TYR A 11 3.702 7.558 17.652 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.651 4.624 16.845 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.990 5.437 17.630 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.337 4.749 18.142 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.134 5.376 19.969 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.364 4.233 20.335 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.165 4.853 22.165 1.00 0.00 H new ATOM 0 HH TYR A 11 2.356 4.286 23.300 1.00 0.00 H new ATOM 140 N PRO A 12 4.950 8.066 15.583 1.00 0.00 N ATOM 141 CA PRO A 12 5.685 8.444 14.373 1.00 0.00 C ATOM 142 C PRO A 12 6.777 7.440 14.020 1.00 0.00 C ATOM 143 O PRO A 12 7.663 7.161 14.828 1.00 0.00 O ATOM 144 CB PRO A 12 6.301 9.797 14.739 1.00 0.00 C ATOM 145 CG PRO A 12 6.409 9.773 16.225 1.00 0.00 C ATOM 146 CD PRO A 12 5.239 8.965 16.713 1.00 0.00 C ATOM 0 HA PRO A 12 5.037 8.478 13.497 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.278 9.927 14.273 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.674 10.622 14.401 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.351 9.325 16.540 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.384 10.783 16.634 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.485 8.408 17.617 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.385 9.598 16.951 1.00 0.00 H new ATOM 154 N CYS A 13 6.709 6.900 12.807 1.00 0.00 N ATOM 155 CA CYS A 13 7.692 5.927 12.347 1.00 0.00 C ATOM 156 C CYS A 13 8.805 6.610 11.558 1.00 0.00 C ATOM 157 O CYS A 13 8.627 7.714 11.044 1.00 0.00 O ATOM 158 CB CYS A 13 7.017 4.861 11.480 1.00 0.00 C ATOM 159 SG CYS A 13 8.020 3.360 11.234 1.00 0.00 S ATOM 0 H CYS A 13 5.983 7.120 12.125 1.00 0.00 H new ATOM 0 HA CYS A 13 8.132 5.449 13.223 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.069 4.581 11.939 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.784 5.293 10.507 1.00 0.00 H new ATOM 0 HG CYS A 13 7.447 2.595 10.353 1.00 0.00 H new ATOM 164 N GLN A 14 9.952 5.945 11.467 1.00 0.00 N ATOM 165 CA GLN A 14 11.095 6.488 10.742 1.00 0.00 C ATOM 166 C GLN A 14 10.718 6.815 9.301 1.00 0.00 C ATOM 167 O GLN A 14 11.112 7.852 8.765 1.00 0.00 O ATOM 168 CB GLN A 14 12.259 5.496 10.765 1.00 0.00 C ATOM 169 CG GLN A 14 13.571 6.086 10.275 1.00 0.00 C ATOM 170 CD GLN A 14 14.470 5.052 9.627 1.00 0.00 C ATOM 171 OE1 GLN A 14 14.796 5.151 8.443 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.877 4.053 10.400 1.00 0.00 N ATOM 0 H GLN A 14 10.115 5.029 11.886 1.00 0.00 H new ATOM 0 HA GLN A 14 11.403 7.409 11.236 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.393 5.129 11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.004 4.635 10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.363 6.881 9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.095 6.543 11.114 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.583 4.010 11.376 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.484 3.328 10.018 1.00 0.00 H new ATOM 181 N CYS A 15 9.954 5.925 8.677 1.00 0.00 N ATOM 182 CA CYS A 15 9.525 6.118 7.297 1.00 0.00 C ATOM 183 C CYS A 15 8.634 7.351 7.172 1.00 0.00 C ATOM 184 O CYS A 15 8.592 7.996 6.125 1.00 0.00 O ATOM 185 CB CYS A 15 8.775 4.882 6.797 1.00 0.00 C ATOM 186 SG CYS A 15 7.286 4.473 7.762 1.00 0.00 S ATOM 0 H CYS A 15 9.619 5.062 9.106 1.00 0.00 H new ATOM 0 HA CYS A 15 10.414 6.269 6.684 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.489 5.040 5.757 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.452 4.028 6.815 1.00 0.00 H new ATOM 0 HG CYS A 15 7.633 4.095 8.956 1.00 0.00 H new ATOM 191 N GLY A 16 7.924 7.673 8.249 1.00 0.00 N ATOM 192 CA GLY A 16 7.044 8.827 8.239 1.00 0.00 C ATOM 193 C GLY A 16 5.627 8.480 8.650 1.00 0.00 C ATOM 194 O GLY A 16 4.896 9.326 9.166 1.00 0.00 O ATOM 0 H GLY A 16 7.942 7.156 9.128 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.439 9.587 8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.033 9.263 7.240 1.00 0.00 H new ATOM 198 N LYS A 17 5.235 7.231 8.421 1.00 0.00 N ATOM 199 CA LYS A 17 3.896 6.772 8.770 1.00 0.00 C ATOM 200 C LYS A 17 3.680 6.821 10.279 1.00 0.00 C ATOM 201 O LYS A 17 4.628 6.991 11.046 1.00 0.00 O ATOM 202 CB LYS A 17 3.673 5.347 8.258 1.00 0.00 C ATOM 203 CG LYS A 17 3.770 5.221 6.747 1.00 0.00 C ATOM 204 CD LYS A 17 3.678 3.772 6.301 1.00 0.00 C ATOM 205 CE LYS A 17 2.238 3.360 6.036 1.00 0.00 C ATOM 206 NZ LYS A 17 1.785 3.771 4.679 1.00 0.00 N ATOM 0 H LYS A 17 5.827 6.518 7.995 1.00 0.00 H new ATOM 0 HA LYS A 17 3.176 7.439 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.408 4.686 8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.690 5.004 8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.971 5.797 6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.713 5.649 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.270 3.630 5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.107 3.126 7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.145 2.279 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.588 3.808 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.799 3.472 4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.850 4.805 4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.389 3.323 3.961 1.00 0.00 H new ATOM 220 N SER A 18 2.428 6.668 10.699 1.00 0.00 N ATOM 221 CA SER A 18 2.088 6.697 12.116 1.00 0.00 C ATOM 222 C SER A 18 1.125 5.568 12.467 1.00 0.00 C ATOM 223 O SER A 18 0.056 5.440 11.869 1.00 0.00 O ATOM 224 CB SER A 18 1.468 8.046 12.486 1.00 0.00 C ATOM 225 OG SER A 18 2.334 9.115 12.148 1.00 0.00 O ATOM 0 H SER A 18 1.632 6.523 10.077 1.00 0.00 H new ATOM 0 HA SER A 18 3.006 6.558 12.687 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.517 8.167 11.968 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.254 8.071 13.555 1.00 0.00 H new ATOM 0 HG SER A 18 1.914 9.966 12.393 1.00 0.00 H new ATOM 231 N PHE A 19 1.510 4.750 13.441 1.00 0.00 N ATOM 232 CA PHE A 19 0.682 3.630 13.872 1.00 0.00 C ATOM 233 C PHE A 19 0.015 3.931 15.212 1.00 0.00 C ATOM 234 O PHE A 19 0.565 4.652 16.044 1.00 0.00 O ATOM 235 CB PHE A 19 1.525 2.358 13.983 1.00 0.00 C ATOM 236 CG PHE A 19 2.285 2.032 12.730 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.452 2.710 12.415 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.834 1.047 11.866 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.153 2.412 11.262 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.532 0.744 10.712 1.00 0.00 C ATOM 241 CZ PHE A 19 3.693 1.427 10.410 1.00 0.00 C ATOM 0 H PHE A 19 2.391 4.842 13.947 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.097 3.477 13.125 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.230 2.469 14.807 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.873 1.520 14.232 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.818 3.480 13.078 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.926 0.510 12.097 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.060 2.949 11.027 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.169 -0.026 10.047 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.241 1.192 9.509 1.00 0.00 H new ATOM 251 N THR A 20 -1.174 3.372 15.412 1.00 0.00 N ATOM 252 CA THR A 20 -1.918 3.580 16.648 1.00 0.00 C ATOM 253 C THR A 20 -1.308 2.785 17.797 1.00 0.00 C ATOM 254 O THR A 20 -1.447 3.155 18.964 1.00 0.00 O ATOM 255 CB THR A 20 -3.396 3.179 16.489 1.00 0.00 C ATOM 256 OG1 THR A 20 -3.985 3.899 15.400 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.173 3.458 17.767 1.00 0.00 C ATOM 0 H THR A 20 -1.643 2.771 14.734 1.00 0.00 H new ATOM 0 HA THR A 20 -1.861 4.644 16.875 1.00 0.00 H new ATOM 0 HB THR A 20 -3.439 2.110 16.282 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.924 3.637 15.305 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.214 3.167 17.631 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.741 2.886 18.588 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.121 4.522 17.999 1.00 0.00 H new ATOM 265 N HIS A 21 -0.632 1.691 17.461 1.00 0.00 N ATOM 266 CA HIS A 21 0.001 0.844 18.465 1.00 0.00 C ATOM 267 C HIS A 21 1.521 0.928 18.367 1.00 0.00 C ATOM 268 O HIS A 21 2.089 0.847 17.278 1.00 0.00 O ATOM 269 CB HIS A 21 -0.453 -0.606 18.299 1.00 0.00 C ATOM 270 CG HIS A 21 -1.820 -0.873 18.852 1.00 0.00 C ATOM 271 ND1 HIS A 21 -2.553 -1.997 18.536 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.585 -0.154 19.707 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.711 -1.957 19.171 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.755 -0.849 19.888 1.00 0.00 N ATOM 0 H HIS A 21 -0.509 1.370 16.501 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.302 1.201 19.449 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.442 -0.862 17.240 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.264 -1.261 18.793 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.324 0.790 20.162 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.489 -2.704 19.113 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.532 -0.557 20.480 1.00 0.00 H new ATOM 282 N LYS A 22 2.175 1.091 19.513 1.00 0.00 N ATOM 283 CA LYS A 22 3.629 1.185 19.557 1.00 0.00 C ATOM 284 C LYS A 22 4.274 -0.067 18.971 1.00 0.00 C ATOM 285 O LYS A 22 5.312 0.008 18.314 1.00 0.00 O ATOM 286 CB LYS A 22 4.104 1.390 20.998 1.00 0.00 C ATOM 287 CG LYS A 22 5.608 1.557 21.125 1.00 0.00 C ATOM 288 CD LYS A 22 5.978 2.346 22.370 1.00 0.00 C ATOM 289 CE LYS A 22 7.449 2.178 22.719 1.00 0.00 C ATOM 290 NZ LYS A 22 7.799 2.868 23.992 1.00 0.00 N ATOM 0 H LYS A 22 1.720 1.161 20.423 1.00 0.00 H new ATOM 0 HA LYS A 22 3.931 2.043 18.956 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.613 2.271 21.412 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.789 0.538 21.600 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.082 0.576 21.160 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.994 2.066 20.242 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.759 3.402 22.212 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.364 2.015 23.208 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.683 1.117 22.805 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.062 2.575 21.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.810 2.730 24.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.600 3.885 23.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.233 2.472 24.769 1.00 0.00 H new ATOM 304 N SER A 23 3.651 -1.216 19.213 1.00 0.00 N ATOM 305 CA SER A 23 4.166 -2.485 18.711 1.00 0.00 C ATOM 306 C SER A 23 4.196 -2.493 17.186 1.00 0.00 C ATOM 307 O SER A 23 5.134 -3.006 16.576 1.00 0.00 O ATOM 308 CB SER A 23 3.310 -3.645 19.223 1.00 0.00 C ATOM 309 OG SER A 23 3.883 -4.893 18.876 1.00 0.00 O ATOM 0 H SER A 23 2.789 -1.294 19.753 1.00 0.00 H new ATOM 0 HA SER A 23 5.185 -2.607 19.077 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.209 -3.576 20.306 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.306 -3.573 18.804 1.00 0.00 H new ATOM 0 HG SER A 23 3.318 -5.618 19.216 1.00 0.00 H new ATOM 315 N GLN A 24 3.161 -1.923 16.577 1.00 0.00 N ATOM 316 CA GLN A 24 3.068 -1.866 15.123 1.00 0.00 C ATOM 317 C GLN A 24 4.101 -0.902 14.549 1.00 0.00 C ATOM 318 O GLN A 24 4.591 -1.093 13.435 1.00 0.00 O ATOM 319 CB GLN A 24 1.662 -1.437 14.697 1.00 0.00 C ATOM 320 CG GLN A 24 0.631 -2.549 14.799 1.00 0.00 C ATOM 321 CD GLN A 24 0.822 -3.412 16.030 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.863 -4.048 16.201 1.00 0.00 O ATOM 323 NE2 GLN A 24 -0.184 -3.439 16.897 1.00 0.00 N ATOM 0 H GLN A 24 2.376 -1.495 17.067 1.00 0.00 H new ATOM 0 HA GLN A 24 3.271 -2.863 14.732 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.343 -0.599 15.317 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.697 -1.078 13.668 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.368 -2.113 14.818 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.689 -3.175 13.909 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.028 -2.896 16.715 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.112 -4.002 17.744 1.00 0.00 H new ATOM 332 N ARG A 25 4.428 0.133 15.315 1.00 0.00 N ATOM 333 CA ARG A 25 5.403 1.127 14.882 1.00 0.00 C ATOM 334 C ARG A 25 6.824 0.589 15.015 1.00 0.00 C ATOM 335 O ARG A 25 7.657 0.780 14.129 1.00 0.00 O ATOM 336 CB ARG A 25 5.252 2.410 15.700 1.00 0.00 C ATOM 337 CG ARG A 25 6.275 3.479 15.350 1.00 0.00 C ATOM 338 CD ARG A 25 7.524 3.358 16.209 1.00 0.00 C ATOM 339 NE ARG A 25 7.310 3.869 17.561 1.00 0.00 N ATOM 340 CZ ARG A 25 8.294 4.265 18.360 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.552 4.210 17.947 1.00 0.00 N ATOM 342 NH2 ARG A 25 8.020 4.719 19.577 1.00 0.00 N ATOM 0 H ARG A 25 4.032 0.305 16.239 1.00 0.00 H new ATOM 0 HA ARG A 25 5.215 1.350 13.832 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.251 2.813 15.547 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.340 2.168 16.759 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.546 3.394 14.298 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.833 4.466 15.486 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.829 2.313 16.261 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.341 3.906 15.740 1.00 0.00 H new ATOM 0 HE ARG A 25 6.353 3.925 17.910 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.767 3.863 17.012 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.305 4.515 18.564 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.053 4.764 19.899 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.776 5.023 20.190 1.00 0.00 H new ATOM 356 N ASP A 26 7.095 -0.083 16.129 1.00 0.00 N ATOM 357 CA ASP A 26 8.415 -0.649 16.379 1.00 0.00 C ATOM 358 C ASP A 26 8.782 -1.668 15.304 1.00 0.00 C ATOM 359 O ASP A 26 9.842 -1.577 14.685 1.00 0.00 O ATOM 360 CB ASP A 26 8.459 -1.307 17.759 1.00 0.00 C ATOM 361 CG ASP A 26 8.156 -2.791 17.703 1.00 0.00 C ATOM 362 OD1 ASP A 26 8.953 -3.536 17.095 1.00 0.00 O ATOM 363 OD2 ASP A 26 7.122 -3.209 18.265 1.00 0.00 O ATOM 0 H ASP A 26 6.417 -0.249 16.873 1.00 0.00 H new ATOM 0 HA ASP A 26 9.142 0.162 16.349 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.445 -1.157 18.198 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.740 -0.817 18.415 1.00 0.00 H new ATOM 368 N ARG A 27 7.899 -2.638 15.090 1.00 0.00 N ATOM 369 CA ARG A 27 8.132 -3.675 14.092 1.00 0.00 C ATOM 370 C ARG A 27 8.417 -3.061 12.725 1.00 0.00 C ATOM 371 O ARG A 27 9.175 -3.615 11.929 1.00 0.00 O ATOM 372 CB ARG A 27 6.921 -4.606 14.002 1.00 0.00 C ATOM 373 CG ARG A 27 5.672 -3.931 13.459 1.00 0.00 C ATOM 374 CD ARG A 27 4.661 -4.950 12.959 1.00 0.00 C ATOM 375 NE ARG A 27 4.949 -5.383 11.594 1.00 0.00 N ATOM 376 CZ ARG A 27 4.886 -4.578 10.539 1.00 0.00 C ATOM 377 NH1 ARG A 27 4.547 -3.306 10.691 1.00 0.00 N ATOM 378 NH2 ARG A 27 5.163 -5.046 9.329 1.00 0.00 N ATOM 0 H ARG A 27 7.017 -2.727 15.594 1.00 0.00 H new ATOM 0 HA ARG A 27 9.004 -4.252 14.401 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.172 -5.454 13.364 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.706 -5.005 14.993 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.219 -3.320 14.240 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.945 -3.258 12.646 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.661 -5.816 13.621 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.661 -4.518 12.999 1.00 0.00 H new ATOM 0 HE ARG A 27 5.213 -6.357 11.443 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.334 -2.943 11.620 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.500 -2.690 9.879 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.425 -6.024 9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.114 -4.427 8.519 1.00 0.00 H new ATOM 392 N HIS A 28 7.803 -1.912 12.459 1.00 0.00 N ATOM 393 CA HIS A 28 7.991 -1.221 11.188 1.00 0.00 C ATOM 394 C HIS A 28 9.310 -0.454 11.176 1.00 0.00 C ATOM 395 O HIS A 28 9.891 -0.215 10.118 1.00 0.00 O ATOM 396 CB HIS A 28 6.829 -0.263 10.927 1.00 0.00 C ATOM 397 CG HIS A 28 6.549 -0.042 9.472 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.595 1.201 8.877 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.221 -0.915 8.491 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.306 1.083 7.594 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.075 -0.191 7.334 1.00 0.00 N ATOM 0 H HIS A 28 7.171 -1.440 13.106 1.00 0.00 H new ATOM 0 HA HIS A 28 8.019 -1.970 10.397 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.932 -0.655 11.406 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.048 0.696 11.396 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.097 -1.982 8.599 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.265 1.891 6.879 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.828 -0.575 6.422 1.00 0.00 H new ATOM 409 N MET A 29 9.777 -0.070 12.360 1.00 0.00 N ATOM 410 CA MET A 29 11.027 0.669 12.485 1.00 0.00 C ATOM 411 C MET A 29 12.224 -0.275 12.441 1.00 0.00 C ATOM 412 O MET A 29 13.253 0.040 11.843 1.00 0.00 O ATOM 413 CB MET A 29 11.043 1.470 13.788 1.00 0.00 C ATOM 414 CG MET A 29 10.476 2.874 13.646 1.00 0.00 C ATOM 415 SD MET A 29 11.227 4.045 14.793 1.00 0.00 S ATOM 416 CE MET A 29 12.967 3.771 14.467 1.00 0.00 C ATOM 0 H MET A 29 9.308 -0.259 13.246 1.00 0.00 H new ATOM 0 HA MET A 29 11.098 1.357 11.643 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.471 0.931 14.543 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.068 1.536 14.152 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.630 3.222 12.625 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.399 2.846 13.814 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.510 4.710 14.576 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.359 3.041 15.175 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.092 3.396 13.451 1.00 0.00 H new ATOM 426 N SER A 30 12.082 -1.434 13.077 1.00 0.00 N ATOM 427 CA SER A 30 13.154 -2.422 13.113 1.00 0.00 C ATOM 428 C SER A 30 13.363 -3.048 11.737 1.00 0.00 C ATOM 429 O SER A 30 14.489 -3.353 11.347 1.00 0.00 O ATOM 430 CB SER A 30 12.837 -3.512 14.139 1.00 0.00 C ATOM 431 OG SER A 30 12.858 -2.993 15.457 1.00 0.00 O ATOM 0 H SER A 30 11.236 -1.712 13.574 1.00 0.00 H new ATOM 0 HA SER A 30 14.073 -1.914 13.405 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.857 -3.940 13.929 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.563 -4.320 14.051 1.00 0.00 H new ATOM 0 HG SER A 30 12.651 -3.709 16.094 1.00 0.00 H new ATOM 437 N MET A 31 12.268 -3.235 11.007 1.00 0.00 N ATOM 438 CA MET A 31 12.330 -3.823 9.674 1.00 0.00 C ATOM 439 C MET A 31 13.043 -2.889 8.701 1.00 0.00 C ATOM 440 O MET A 31 13.698 -3.339 7.760 1.00 0.00 O ATOM 441 CB MET A 31 10.922 -4.132 9.163 1.00 0.00 C ATOM 442 CG MET A 31 10.173 -2.907 8.664 1.00 0.00 C ATOM 443 SD MET A 31 8.778 -3.330 7.604 1.00 0.00 S ATOM 444 CE MET A 31 8.626 -1.834 6.631 1.00 0.00 C ATOM 0 H MET A 31 11.328 -2.988 11.316 1.00 0.00 H new ATOM 0 HA MET A 31 12.896 -4.752 9.740 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.990 -4.860 8.355 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.348 -4.597 9.964 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.814 -2.332 9.518 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.861 -2.265 8.114 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.677 -1.843 6.095 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.663 -0.966 7.290 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.446 -1.781 5.915 1.00 0.00 H new ATOM 454 N HIS A 32 12.910 -1.587 8.932 1.00 0.00 N ATOM 455 CA HIS A 32 13.542 -0.590 8.075 1.00 0.00 C ATOM 456 C HIS A 32 15.039 -0.853 7.947 1.00 0.00 C ATOM 457 O HIS A 32 15.582 -0.886 6.842 1.00 0.00 O ATOM 458 CB HIS A 32 13.305 0.815 8.631 1.00 0.00 C ATOM 459 CG HIS A 32 11.921 1.332 8.383 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.179 0.991 7.272 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.145 2.167 9.112 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.006 1.597 7.327 1.00 0.00 C ATOM 463 NE2 HIS A 32 9.960 2.316 8.434 1.00 0.00 N ATOM 0 H HIS A 32 12.371 -1.198 9.705 1.00 0.00 H new ATOM 0 HA HIS A 32 13.093 -0.662 7.084 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.495 0.809 9.704 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.025 1.500 8.184 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.408 2.630 10.052 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.219 1.518 6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.172 2.889 8.736 1.00 0.00 H new ATOM 582 N CYS A 40 16.385 -5.145 -5.965 1.00 0.00 N ATOM 583 CA CYS A 40 16.202 -5.744 -7.281 1.00 0.00 C ATOM 584 C CYS A 40 14.899 -6.536 -7.343 1.00 0.00 C ATOM 585 O CYS A 40 14.807 -7.642 -6.812 1.00 0.00 O ATOM 586 CB CYS A 40 17.383 -6.657 -7.618 1.00 0.00 C ATOM 587 SG CYS A 40 17.149 -7.649 -9.128 1.00 0.00 S ATOM 0 HA CYS A 40 16.152 -4.939 -8.014 1.00 0.00 H new ATOM 0 HB2 CYS A 40 18.279 -6.047 -7.732 1.00 0.00 H new ATOM 0 HB3 CYS A 40 17.560 -7.329 -6.778 1.00 0.00 H new ATOM 0 HG CYS A 40 16.090 -7.236 -9.759 1.00 0.00 H new ATOM 592 N GLY A 41 13.893 -5.961 -7.995 1.00 0.00 N ATOM 593 CA GLY A 41 12.609 -6.627 -8.114 1.00 0.00 C ATOM 594 C GLY A 41 12.605 -7.689 -9.196 1.00 0.00 C ATOM 595 O GLY A 41 11.620 -7.846 -9.918 1.00 0.00 O ATOM 0 H GLY A 41 13.944 -5.046 -8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.351 -7.085 -7.159 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.838 -5.888 -8.332 1.00 0.00 H new ATOM 599 N VAL A 42 13.709 -8.419 -9.311 1.00 0.00 N ATOM 600 CA VAL A 42 13.830 -9.471 -10.313 1.00 0.00 C ATOM 601 C VAL A 42 14.307 -10.776 -9.686 1.00 0.00 C ATOM 602 O VAL A 42 13.760 -11.845 -9.959 1.00 0.00 O ATOM 603 CB VAL A 42 14.804 -9.068 -11.436 1.00 0.00 C ATOM 604 CG1 VAL A 42 14.872 -10.153 -12.500 1.00 0.00 C ATOM 605 CG2 VAL A 42 14.390 -7.737 -12.047 1.00 0.00 C ATOM 0 H VAL A 42 14.533 -8.301 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 42 12.837 -9.617 -10.738 1.00 0.00 H new ATOM 0 HB VAL A 42 15.799 -8.952 -11.006 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.565 -9.850 -13.285 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.218 -11.083 -12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.882 -10.304 -12.929 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.089 -7.467 -12.839 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.386 -7.824 -12.463 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.398 -6.965 -11.277 1.00 0.00 H new ATOM 615 N CYS A 43 15.330 -10.681 -8.844 1.00 0.00 N ATOM 616 CA CYS A 43 15.883 -11.854 -8.176 1.00 0.00 C ATOM 617 C CYS A 43 15.656 -11.779 -6.669 1.00 0.00 C ATOM 618 O CYS A 43 15.406 -12.792 -6.017 1.00 0.00 O ATOM 619 CB CYS A 43 17.379 -11.977 -8.472 1.00 0.00 C ATOM 620 SG CYS A 43 18.409 -10.738 -7.624 1.00 0.00 S ATOM 0 H CYS A 43 15.793 -9.804 -8.608 1.00 0.00 H new ATOM 0 HA CYS A 43 15.370 -12.736 -8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 43 17.715 -12.973 -8.182 1.00 0.00 H new ATOM 0 HB3 CYS A 43 17.534 -11.888 -9.547 1.00 0.00 H new ATOM 0 HG CYS A 43 18.078 -9.548 -8.029 1.00 0.00 H new ATOM 625 N GLY A 44 15.744 -10.570 -6.122 1.00 0.00 N ATOM 626 CA GLY A 44 15.545 -10.385 -4.696 1.00 0.00 C ATOM 627 C GLY A 44 16.787 -9.861 -4.002 1.00 0.00 C ATOM 628 O GLY A 44 17.024 -10.157 -2.830 1.00 0.00 O ATOM 0 H GLY A 44 15.949 -9.716 -6.641 1.00 0.00 H new ATOM 0 HA2 GLY A 44 14.721 -9.690 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.254 -11.334 -4.246 1.00 0.00 H new ATOM 632 N LYS A 45 17.583 -9.081 -4.725 1.00 0.00 N ATOM 633 CA LYS A 45 18.807 -8.514 -4.172 1.00 0.00 C ATOM 634 C LYS A 45 18.570 -7.094 -3.667 1.00 0.00 C ATOM 635 O LYS A 45 17.456 -6.575 -3.742 1.00 0.00 O ATOM 636 CB LYS A 45 19.915 -8.512 -5.228 1.00 0.00 C ATOM 637 CG LYS A 45 20.765 -9.771 -5.220 1.00 0.00 C ATOM 638 CD LYS A 45 22.183 -9.489 -5.688 1.00 0.00 C ATOM 639 CE LYS A 45 23.086 -10.697 -5.488 1.00 0.00 C ATOM 640 NZ LYS A 45 24.298 -10.632 -6.351 1.00 0.00 N ATOM 0 H LYS A 45 17.402 -8.827 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 45 19.116 -9.133 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.466 -8.393 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.559 -7.648 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.789 -10.188 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.310 -10.522 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.171 -9.213 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.586 -8.637 -5.140 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.388 -10.756 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 45 22.530 -11.607 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 24.887 -11.473 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.011 -10.601 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.843 -9.776 -6.121 1.00 0.00 H new ATOM 654 N LYS A 46 19.624 -6.470 -3.153 1.00 0.00 N ATOM 655 CA LYS A 46 19.532 -5.109 -2.637 1.00 0.00 C ATOM 656 C LYS A 46 20.900 -4.435 -2.635 1.00 0.00 C ATOM 657 O LYS A 46 21.934 -5.104 -2.637 1.00 0.00 O ATOM 658 CB LYS A 46 18.953 -5.117 -1.221 1.00 0.00 C ATOM 659 CG LYS A 46 17.524 -5.626 -1.151 1.00 0.00 C ATOM 660 CD LYS A 46 16.922 -5.412 0.228 1.00 0.00 C ATOM 661 CE LYS A 46 17.510 -6.375 1.248 1.00 0.00 C ATOM 662 NZ LYS A 46 16.867 -7.717 1.179 1.00 0.00 N ATOM 0 H LYS A 46 20.553 -6.885 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 46 18.869 -4.543 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 46 19.583 -5.738 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.990 -4.105 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.917 -5.113 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.503 -6.688 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.101 -4.386 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.841 -5.547 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.582 -6.476 1.076 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.385 -5.964 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.295 -8.344 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.849 -7.624 1.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.008 -8.121 0.231 1.00 0.00 H new ATOM 676 N PHE A 47 20.900 -3.106 -2.629 1.00 0.00 N ATOM 677 CA PHE A 47 22.141 -2.341 -2.625 1.00 0.00 C ATOM 678 C PHE A 47 21.946 -0.989 -1.945 1.00 0.00 C ATOM 679 O PHE A 47 20.849 -0.429 -1.955 1.00 0.00 O ATOM 680 CB PHE A 47 22.643 -2.136 -4.056 1.00 0.00 C ATOM 681 CG PHE A 47 22.695 -3.404 -4.860 1.00 0.00 C ATOM 682 CD1 PHE A 47 21.531 -3.996 -5.322 1.00 0.00 C ATOM 683 CD2 PHE A 47 23.909 -4.003 -5.154 1.00 0.00 C ATOM 684 CE1 PHE A 47 21.576 -5.162 -6.061 1.00 0.00 C ATOM 685 CE2 PHE A 47 23.961 -5.170 -5.894 1.00 0.00 C ATOM 686 CZ PHE A 47 22.793 -5.750 -6.349 1.00 0.00 C ATOM 0 H PHE A 47 20.054 -2.536 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 47 22.884 -2.906 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 47 21.994 -1.421 -4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 47 23.639 -1.695 -4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 47 20.577 -3.540 -5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 47 24.825 -3.553 -4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 47 20.661 -5.614 -6.414 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.914 -5.627 -6.116 1.00 0.00 H new ATOM 0 HZ PHE A 47 22.831 -6.661 -6.928 1.00 0.00 H new ATOM 696 N LYS A 48 23.016 -0.471 -1.352 1.00 0.00 N ATOM 697 CA LYS A 48 22.965 0.814 -0.667 1.00 0.00 C ATOM 698 C LYS A 48 22.957 1.965 -1.668 1.00 0.00 C ATOM 699 O LYS A 48 22.184 2.913 -1.532 1.00 0.00 O ATOM 700 CB LYS A 48 24.157 0.958 0.282 1.00 0.00 C ATOM 701 CG LYS A 48 24.215 2.302 0.987 1.00 0.00 C ATOM 702 CD LYS A 48 25.592 2.563 1.576 1.00 0.00 C ATOM 703 CE LYS A 48 25.787 1.821 2.888 1.00 0.00 C ATOM 704 NZ LYS A 48 27.100 2.137 3.515 1.00 0.00 N ATOM 0 H LYS A 48 23.930 -0.923 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 48 22.042 0.852 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.113 0.167 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.079 0.813 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.963 3.095 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.468 2.331 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.358 2.254 0.865 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.722 3.633 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.984 2.083 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 48 25.718 0.748 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 27.194 1.611 4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 27.868 1.863 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 27.156 3.158 3.707 1.00 0.00 H new ATOM 718 N MET A 49 23.821 1.874 -2.674 1.00 0.00 N ATOM 719 CA MET A 49 23.911 2.907 -3.699 1.00 0.00 C ATOM 720 C MET A 49 23.149 2.494 -4.954 1.00 0.00 C ATOM 721 O MET A 49 22.972 1.306 -5.223 1.00 0.00 O ATOM 722 CB MET A 49 25.375 3.186 -4.046 1.00 0.00 C ATOM 723 CG MET A 49 26.212 3.612 -2.850 1.00 0.00 C ATOM 724 SD MET A 49 26.215 5.399 -2.607 1.00 0.00 S ATOM 725 CE MET A 49 27.237 5.539 -1.142 1.00 0.00 C ATOM 0 H MET A 49 24.468 1.096 -2.801 1.00 0.00 H new ATOM 0 HA MET A 49 23.460 3.817 -3.303 1.00 0.00 H new ATOM 0 HB2 MET A 49 25.813 2.290 -4.485 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.418 3.967 -4.806 1.00 0.00 H new ATOM 0 HG2 MET A 49 25.829 3.128 -1.952 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.237 3.266 -2.986 1.00 0.00 H new ATOM 0 HE1 MET A 49 27.334 6.589 -0.865 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.775 4.988 -0.322 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.224 5.125 -1.346 1.00 0.00 H new ATOM 735 N LYS A 50 22.700 3.483 -5.720 1.00 0.00 N ATOM 736 CA LYS A 50 21.957 3.224 -6.948 1.00 0.00 C ATOM 737 C LYS A 50 22.854 2.581 -8.001 1.00 0.00 C ATOM 738 O LYS A 50 22.397 1.775 -8.812 1.00 0.00 O ATOM 739 CB LYS A 50 21.364 4.524 -7.494 1.00 0.00 C ATOM 740 CG LYS A 50 22.406 5.491 -8.028 1.00 0.00 C ATOM 741 CD LYS A 50 22.969 6.371 -6.924 1.00 0.00 C ATOM 742 CE LYS A 50 23.469 7.699 -7.470 1.00 0.00 C ATOM 743 NZ LYS A 50 22.348 8.573 -7.914 1.00 0.00 N ATOM 0 H LYS A 50 22.838 4.472 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 50 21.147 2.533 -6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 50 20.660 4.286 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.796 5.015 -6.703 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.216 4.932 -8.497 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.960 6.117 -8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.200 6.552 -6.173 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.786 5.851 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.048 8.213 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.142 7.517 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.673 9.560 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.027 8.273 -8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.560 8.497 -7.239 1.00 0.00 H new ATOM 757 N HIS A 51 24.134 2.940 -7.981 1.00 0.00 N ATOM 758 CA HIS A 51 25.095 2.396 -8.933 1.00 0.00 C ATOM 759 C HIS A 51 25.447 0.952 -8.585 1.00 0.00 C ATOM 760 O HIS A 51 25.691 0.131 -9.470 1.00 0.00 O ATOM 761 CB HIS A 51 26.363 3.250 -8.954 1.00 0.00 C ATOM 762 CG HIS A 51 26.850 3.633 -7.591 1.00 0.00 C ATOM 763 ND1 HIS A 51 26.804 4.925 -7.110 1.00 0.00 N ATOM 764 CD2 HIS A 51 27.396 2.885 -6.603 1.00 0.00 C ATOM 765 CE1 HIS A 51 27.300 4.955 -5.887 1.00 0.00 C ATOM 766 NE2 HIS A 51 27.667 3.730 -5.555 1.00 0.00 N ATOM 0 H HIS A 51 24.529 3.605 -7.316 1.00 0.00 H new ATOM 0 HA HIS A 51 24.638 2.412 -9.922 1.00 0.00 H new ATOM 0 HB2 HIS A 51 27.151 2.703 -9.472 1.00 0.00 H new ATOM 0 HB3 HIS A 51 26.172 4.155 -9.530 1.00 0.00 H new ATOM 0 HD1 HIS A 51 26.443 5.731 -7.620 1.00 0.00 H new ATOM 0 HD2 HIS A 51 27.583 1.822 -6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 51 27.390 5.832 -5.264 1.00 0.00 H new ATOM 774 N HIS A 52 25.471 0.649 -7.291 1.00 0.00 N ATOM 775 CA HIS A 52 25.793 -0.695 -6.826 1.00 0.00 C ATOM 776 C HIS A 52 24.749 -1.700 -7.306 1.00 0.00 C ATOM 777 O HIS A 52 25.035 -2.890 -7.442 1.00 0.00 O ATOM 778 CB HIS A 52 25.881 -0.723 -5.300 1.00 0.00 C ATOM 779 CG HIS A 52 27.200 -0.255 -4.768 1.00 0.00 C ATOM 780 ND1 HIS A 52 27.318 0.590 -3.685 1.00 0.00 N ATOM 781 CD2 HIS A 52 28.464 -0.521 -5.175 1.00 0.00 C ATOM 782 CE1 HIS A 52 28.596 0.826 -3.450 1.00 0.00 C ATOM 783 NE2 HIS A 52 29.313 0.163 -4.340 1.00 0.00 N ATOM 0 H HIS A 52 25.271 1.316 -6.546 1.00 0.00 H new ATOM 0 HA HIS A 52 26.761 -0.975 -7.243 1.00 0.00 H new ATOM 0 HB2 HIS A 52 25.089 -0.098 -4.887 1.00 0.00 H new ATOM 0 HB3 HIS A 52 25.698 -1.740 -4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 52 28.751 -1.153 -6.002 1.00 0.00 H new ATOM 0 HE1 HIS A 52 28.988 1.454 -2.664 1.00 0.00 H new ATOM 0 HE2 HIS A 52 30.331 0.160 -4.398 1.00 0.00 H new ATOM 791 N LEU A 53 23.539 -1.214 -7.559 1.00 0.00 N ATOM 792 CA LEU A 53 22.452 -2.069 -8.023 1.00 0.00 C ATOM 793 C LEU A 53 22.551 -2.308 -9.526 1.00 0.00 C ATOM 794 O LEU A 53 22.361 -3.428 -10.001 1.00 0.00 O ATOM 795 CB LEU A 53 21.101 -1.439 -7.682 1.00 0.00 C ATOM 796 CG LEU A 53 19.884 -2.039 -8.387 1.00 0.00 C ATOM 797 CD1 LEU A 53 19.626 -3.455 -7.894 1.00 0.00 C ATOM 798 CD2 LEU A 53 18.657 -1.165 -8.171 1.00 0.00 C ATOM 0 H LEU A 53 23.286 -0.232 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 53 22.536 -3.030 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 53 20.948 -1.517 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 53 21.147 -0.377 -7.921 1.00 0.00 H new ATOM 0 HG LEU A 53 20.092 -2.080 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 53 18.756 -3.866 -8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 53 20.497 -4.077 -8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.440 -3.438 -6.820 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.801 -1.608 -8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.446 -1.091 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 53 18.844 -0.170 -8.574 1.00 0.00 H new ATOM 810 N VAL A 54 22.851 -1.248 -10.270 1.00 0.00 N ATOM 811 CA VAL A 54 22.979 -1.343 -11.719 1.00 0.00 C ATOM 812 C VAL A 54 23.963 -2.438 -12.114 1.00 0.00 C ATOM 813 O VAL A 54 23.595 -3.408 -12.777 1.00 0.00 O ATOM 814 CB VAL A 54 23.442 -0.007 -12.330 1.00 0.00 C ATOM 815 CG1 VAL A 54 23.864 -0.201 -13.779 1.00 0.00 C ATOM 816 CG2 VAL A 54 22.342 1.038 -12.221 1.00 0.00 C ATOM 0 H VAL A 54 23.010 -0.314 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 54 21.991 -1.589 -12.108 1.00 0.00 H new ATOM 0 HB VAL A 54 24.306 0.349 -11.770 1.00 0.00 H new ATOM 0 HG11 VAL A 54 24.188 0.753 -14.194 1.00 0.00 H new ATOM 0 HG12 VAL A 54 24.686 -0.915 -13.826 1.00 0.00 H new ATOM 0 HG13 VAL A 54 23.021 -0.580 -14.356 1.00 0.00 H new ATOM 0 HG21 VAL A 54 22.686 1.976 -12.658 1.00 0.00 H new ATOM 0 HG22 VAL A 54 21.457 0.692 -12.756 1.00 0.00 H new ATOM 0 HG23 VAL A 54 22.093 1.196 -11.172 1.00 0.00 H new ATOM 826 N GLY A 55 25.216 -2.278 -11.701 1.00 0.00 N ATOM 827 CA GLY A 55 26.234 -3.261 -12.020 1.00 0.00 C ATOM 828 C GLY A 55 25.717 -4.683 -11.928 1.00 0.00 C ATOM 829 O GLY A 55 26.215 -5.578 -12.610 1.00 0.00 O ATOM 0 H GLY A 55 25.544 -1.484 -11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.608 -3.078 -13.027 1.00 0.00 H new ATOM 0 HA3 GLY A 55 27.077 -3.140 -11.340 1.00 0.00 H new ATOM 833 N HIS A 56 24.715 -4.892 -11.080 1.00 0.00 N ATOM 834 CA HIS A 56 24.130 -6.216 -10.900 1.00 0.00 C ATOM 835 C HIS A 56 22.910 -6.398 -11.797 1.00 0.00 C ATOM 836 O HIS A 56 22.709 -7.463 -12.380 1.00 0.00 O ATOM 837 CB HIS A 56 23.737 -6.428 -9.437 1.00 0.00 C ATOM 838 CG HIS A 56 22.637 -7.427 -9.251 1.00 0.00 C ATOM 839 ND1 HIS A 56 22.853 -8.789 -9.223 1.00 0.00 N ATOM 840 CD2 HIS A 56 21.305 -7.255 -9.081 1.00 0.00 C ATOM 841 CE1 HIS A 56 21.701 -9.411 -9.046 1.00 0.00 C ATOM 842 NE2 HIS A 56 20.746 -8.504 -8.957 1.00 0.00 N ATOM 0 H HIS A 56 24.291 -4.162 -10.507 1.00 0.00 H new ATOM 0 HA HIS A 56 24.878 -6.958 -11.179 1.00 0.00 H new ATOM 0 HB2 HIS A 56 24.613 -6.756 -8.878 1.00 0.00 H new ATOM 0 HB3 HIS A 56 23.426 -5.474 -9.011 1.00 0.00 H new ATOM 0 HD2 HIS A 56 20.780 -6.312 -9.049 1.00 0.00 H new ATOM 0 HE1 HIS A 56 21.564 -10.480 -8.985 1.00 0.00 H new ATOM 0 HE2 HIS A 56 19.754 -8.699 -8.819 1.00 0.00 H new ATOM 850 N MET A 57 22.097 -5.351 -11.903 1.00 0.00 N ATOM 851 CA MET A 57 20.897 -5.396 -12.730 1.00 0.00 C ATOM 852 C MET A 57 21.226 -5.881 -14.139 1.00 0.00 C ATOM 853 O MET A 57 20.382 -6.467 -14.817 1.00 0.00 O ATOM 854 CB MET A 57 20.243 -4.015 -12.793 1.00 0.00 C ATOM 855 CG MET A 57 19.662 -3.556 -11.466 1.00 0.00 C ATOM 856 SD MET A 57 17.917 -3.975 -11.291 1.00 0.00 S ATOM 857 CE MET A 57 17.960 -5.740 -11.589 1.00 0.00 C ATOM 0 H MET A 57 22.248 -4.462 -11.427 1.00 0.00 H new ATOM 0 HA MET A 57 20.199 -6.100 -12.276 1.00 0.00 H new ATOM 0 HB2 MET A 57 20.982 -3.287 -13.128 1.00 0.00 H new ATOM 0 HB3 MET A 57 19.450 -4.031 -13.541 1.00 0.00 H new ATOM 0 HG2 MET A 57 20.225 -4.011 -10.651 1.00 0.00 H new ATOM 0 HG3 MET A 57 19.784 -2.477 -11.374 1.00 0.00 H new ATOM 0 HE1 MET A 57 16.967 -6.160 -11.428 1.00 0.00 H new ATOM 0 HE2 MET A 57 18.271 -5.928 -12.617 1.00 0.00 H new ATOM 0 HE3 MET A 57 18.668 -6.207 -10.904 1.00 0.00 H new ATOM 867 N LYS A 58 22.457 -5.633 -14.573 1.00 0.00 N ATOM 868 CA LYS A 58 22.898 -6.044 -15.900 1.00 0.00 C ATOM 869 C LYS A 58 22.711 -7.546 -16.094 1.00 0.00 C ATOM 870 O LYS A 58 22.684 -8.037 -17.223 1.00 0.00 O ATOM 871 CB LYS A 58 24.367 -5.671 -16.111 1.00 0.00 C ATOM 872 CG LYS A 58 24.648 -4.188 -15.937 1.00 0.00 C ATOM 873 CD LYS A 58 26.140 -3.910 -15.855 1.00 0.00 C ATOM 874 CE LYS A 58 26.480 -2.530 -16.398 1.00 0.00 C ATOM 875 NZ LYS A 58 26.497 -1.500 -15.323 1.00 0.00 N ATOM 0 H LYS A 58 23.167 -5.149 -14.024 1.00 0.00 H new ATOM 0 HA LYS A 58 22.288 -5.521 -16.636 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.981 -6.234 -15.408 1.00 0.00 H new ATOM 0 HB3 LYS A 58 24.670 -5.975 -17.113 1.00 0.00 H new ATOM 0 HG2 LYS A 58 24.219 -3.635 -16.773 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.159 -3.828 -15.032 1.00 0.00 H new ATOM 0 HD2 LYS A 58 26.469 -3.986 -14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 58 26.684 -4.668 -16.418 1.00 0.00 H new ATOM 0 HE2 LYS A 58 27.454 -2.562 -16.886 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.751 -2.249 -17.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 25.962 -0.664 -15.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 26.061 -1.889 -14.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 27.480 -1.226 -15.120 1.00 0.00 H new ATOM 889 N ILE A 59 22.582 -8.269 -14.987 1.00 0.00 N ATOM 890 CA ILE A 59 22.395 -9.714 -15.037 1.00 0.00 C ATOM 891 C ILE A 59 20.967 -10.071 -15.434 1.00 0.00 C ATOM 892 O ILE A 59 20.694 -11.188 -15.874 1.00 0.00 O ATOM 893 CB ILE A 59 22.718 -10.370 -13.681 1.00 0.00 C ATOM 894 CG1 ILE A 59 21.529 -10.233 -12.728 1.00 0.00 C ATOM 895 CG2 ILE A 59 23.966 -9.746 -13.074 1.00 0.00 C ATOM 896 CD1 ILE A 59 21.674 -11.047 -11.461 1.00 0.00 C ATOM 0 H ILE A 59 22.603 -7.878 -14.045 1.00 0.00 H new ATOM 0 HA ILE A 59 23.084 -10.095 -15.790 1.00 0.00 H new ATOM 0 HB ILE A 59 22.909 -11.431 -13.843 1.00 0.00 H new ATOM 0 HG12 ILE A 59 21.405 -9.183 -12.463 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.621 -10.541 -13.246 1.00 0.00 H new ATOM 0 HG21 ILE A 59 24.181 -10.220 -12.116 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.810 -9.891 -13.748 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.802 -8.679 -12.922 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.795 -10.902 -10.833 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.768 -12.103 -11.716 1.00 0.00 H new ATOM 0 HD13 ILE A 59 22.564 -10.724 -10.921 1.00 0.00 H new ATOM 908 N HIS A 60 20.058 -9.113 -15.278 1.00 0.00 N ATOM 909 CA HIS A 60 18.657 -9.325 -15.623 1.00 0.00 C ATOM 910 C HIS A 60 18.292 -8.573 -16.899 1.00 0.00 C ATOM 911 O HIS A 60 17.567 -9.088 -17.751 1.00 0.00 O ATOM 912 CB HIS A 60 17.753 -8.873 -14.475 1.00 0.00 C ATOM 913 CG HIS A 60 18.015 -9.592 -13.188 1.00 0.00 C ATOM 914 ND1 HIS A 60 17.955 -10.965 -13.067 1.00 0.00 N ATOM 915 CD2 HIS A 60 18.342 -9.122 -11.961 1.00 0.00 C ATOM 916 CE1 HIS A 60 18.231 -11.307 -11.821 1.00 0.00 C ATOM 917 NE2 HIS A 60 18.471 -10.207 -11.130 1.00 0.00 N ATOM 0 H HIS A 60 20.267 -8.183 -14.915 1.00 0.00 H new ATOM 0 HA HIS A 60 18.508 -10.391 -15.795 1.00 0.00 H new ATOM 0 HB2 HIS A 60 17.887 -7.803 -14.318 1.00 0.00 H new ATOM 0 HB3 HIS A 60 16.712 -9.025 -14.761 1.00 0.00 H new ATOM 0 HD2 HIS A 60 18.476 -8.086 -11.687 1.00 0.00 H new ATOM 0 HE1 HIS A 60 18.256 -12.315 -11.433 1.00 0.00 H new ATOM 0 HE2 HIS A 60 18.713 -10.170 -10.140 1.00 0.00 H new ATOM 1001 N TYR A 66 18.527 -1.575 -29.234 1.00 0.00 N ATOM 1002 CA TYR A 66 18.636 -0.154 -29.540 1.00 0.00 C ATOM 1003 C TYR A 66 19.706 0.509 -28.678 1.00 0.00 C ATOM 1004 O TYR A 66 19.874 0.167 -27.508 1.00 0.00 O ATOM 1005 CB TYR A 66 17.290 0.540 -29.325 1.00 0.00 C ATOM 1006 CG TYR A 66 16.121 -0.204 -29.930 1.00 0.00 C ATOM 1007 CD1 TYR A 66 15.914 -0.215 -31.304 1.00 0.00 C ATOM 1008 CD2 TYR A 66 15.224 -0.898 -29.127 1.00 0.00 C ATOM 1009 CE1 TYR A 66 14.847 -0.894 -31.860 1.00 0.00 C ATOM 1010 CE2 TYR A 66 14.155 -1.581 -29.674 1.00 0.00 C ATOM 1011 CZ TYR A 66 13.970 -1.575 -31.041 1.00 0.00 C ATOM 1012 OH TYR A 66 12.907 -2.253 -31.591 1.00 0.00 O ATOM 0 HA TYR A 66 18.926 -0.055 -30.586 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.119 0.659 -28.255 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.334 1.541 -29.754 1.00 0.00 H new ATOM 0 HD1 TYR A 66 16.599 0.316 -31.948 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.365 -0.904 -28.056 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.700 -0.892 -32.930 1.00 0.00 H new ATOM 0 HE2 TYR A 66 13.468 -2.116 -29.035 1.00 0.00 H new ATOM 0 HH TYR A 66 12.387 -2.680 -30.878 1.00 0.00 H new ATOM 1022 N GLU A 67 20.426 1.459 -29.266 1.00 0.00 N ATOM 1023 CA GLU A 67 21.480 2.169 -28.552 1.00 0.00 C ATOM 1024 C GLU A 67 21.608 3.604 -29.057 1.00 0.00 C ATOM 1025 O GLU A 67 21.369 3.884 -30.233 1.00 0.00 O ATOM 1026 CB GLU A 67 22.816 1.440 -28.712 1.00 0.00 C ATOM 1027 CG GLU A 67 24.020 2.286 -28.332 1.00 0.00 C ATOM 1028 CD GLU A 67 25.298 1.474 -28.245 1.00 0.00 C ATOM 1029 OE1 GLU A 67 25.853 1.128 -29.309 1.00 0.00 O ATOM 1030 OE2 GLU A 67 25.744 1.187 -27.115 1.00 0.00 O ATOM 0 H GLU A 67 20.299 1.754 -30.234 1.00 0.00 H new ATOM 0 HA GLU A 67 21.213 2.196 -27.496 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.806 0.541 -28.096 1.00 0.00 H new ATOM 0 HB3 GLU A 67 22.922 1.116 -29.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 24.148 3.081 -29.067 1.00 0.00 H new ATOM 0 HG3 GLU A 67 23.833 2.767 -27.372 1.00 0.00 H new ATOM 1037 N CYS A 68 21.985 4.509 -28.161 1.00 0.00 N ATOM 1038 CA CYS A 68 22.144 5.915 -28.513 1.00 0.00 C ATOM 1039 C CYS A 68 23.391 6.124 -29.367 1.00 0.00 C ATOM 1040 O CYS A 68 24.171 5.198 -29.582 1.00 0.00 O ATOM 1041 CB CYS A 68 22.228 6.773 -27.249 1.00 0.00 C ATOM 1042 SG CYS A 68 21.734 8.509 -27.494 1.00 0.00 S ATOM 0 H CYS A 68 22.186 4.294 -27.185 1.00 0.00 H new ATOM 0 HA CYS A 68 21.273 6.219 -29.093 1.00 0.00 H new ATOM 0 HB2 CYS A 68 21.594 6.331 -26.480 1.00 0.00 H new ATOM 0 HB3 CYS A 68 23.251 6.747 -26.873 1.00 0.00 H new ATOM 0 HG CYS A 68 22.225 9.239 -26.537 1.00 0.00 H new ATOM 1047 N ASN A 69 23.571 7.349 -29.851 1.00 0.00 N ATOM 1048 CA ASN A 69 24.723 7.681 -30.681 1.00 0.00 C ATOM 1049 C ASN A 69 25.692 8.589 -29.930 1.00 0.00 C ATOM 1050 O ASN A 69 26.910 8.434 -30.033 1.00 0.00 O ATOM 1051 CB ASN A 69 24.267 8.361 -31.974 1.00 0.00 C ATOM 1052 CG ASN A 69 25.335 8.333 -33.050 1.00 0.00 C ATOM 1053 OD1 ASN A 69 26.147 7.410 -33.110 1.00 0.00 O ATOM 1054 ND2 ASN A 69 25.339 9.348 -33.906 1.00 0.00 N ATOM 0 H ASN A 69 22.934 8.128 -29.683 1.00 0.00 H new ATOM 0 HA ASN A 69 25.240 6.754 -30.928 1.00 0.00 H new ATOM 0 HB2 ASN A 69 23.369 7.866 -32.344 1.00 0.00 H new ATOM 0 HB3 ASN A 69 23.996 9.395 -31.761 1.00 0.00 H new ATOM 0 HD21 ASN A 69 26.035 9.384 -34.651 1.00 0.00 H new ATOM 0 HD22 ASN A 69 24.646 10.092 -33.818 1.00 0.00 H new ATOM 1061 N ILE A 70 25.144 9.534 -29.174 1.00 0.00 N ATOM 1062 CA ILE A 70 25.960 10.465 -28.405 1.00 0.00 C ATOM 1063 C ILE A 70 26.583 9.778 -27.194 1.00 0.00 C ATOM 1064 O ILE A 70 27.805 9.661 -27.093 1.00 0.00 O ATOM 1065 CB ILE A 70 25.134 11.674 -27.926 1.00 0.00 C ATOM 1066 CG1 ILE A 70 24.495 12.387 -29.120 1.00 0.00 C ATOM 1067 CG2 ILE A 70 26.011 12.634 -27.136 1.00 0.00 C ATOM 1068 CD1 ILE A 70 23.251 11.701 -29.639 1.00 0.00 C ATOM 0 H ILE A 70 24.138 9.675 -29.078 1.00 0.00 H new ATOM 0 HA ILE A 70 26.751 10.815 -29.069 1.00 0.00 H new ATOM 0 HB ILE A 70 24.339 11.317 -27.272 1.00 0.00 H new ATOM 0 HG12 ILE A 70 24.244 13.408 -28.831 1.00 0.00 H new ATOM 0 HG13 ILE A 70 25.226 12.455 -29.926 1.00 0.00 H new ATOM 0 HG21 ILE A 70 25.414 13.483 -26.804 1.00 0.00 H new ATOM 0 HG22 ILE A 70 26.424 12.119 -26.268 1.00 0.00 H new ATOM 0 HG23 ILE A 70 26.825 12.988 -27.769 1.00 0.00 H new ATOM 0 HD11 ILE A 70 22.852 12.262 -30.485 1.00 0.00 H new ATOM 0 HD12 ILE A 70 23.500 10.689 -29.959 1.00 0.00 H new ATOM 0 HD13 ILE A 70 22.503 11.657 -28.848 1.00 0.00 H new ATOM 1080 N CYS A 71 25.736 9.324 -26.277 1.00 0.00 N ATOM 1081 CA CYS A 71 26.202 8.647 -25.073 1.00 0.00 C ATOM 1082 C CYS A 71 26.329 7.145 -25.308 1.00 0.00 C ATOM 1083 O CYS A 71 26.928 6.429 -24.506 1.00 0.00 O ATOM 1084 CB CYS A 71 25.243 8.913 -23.910 1.00 0.00 C ATOM 1085 SG CYS A 71 23.513 8.461 -24.254 1.00 0.00 S ATOM 0 H CYS A 71 24.722 9.413 -26.345 1.00 0.00 H new ATOM 0 HA CYS A 71 27.186 9.042 -24.822 1.00 0.00 H new ATOM 0 HB2 CYS A 71 25.585 8.358 -23.037 1.00 0.00 H new ATOM 0 HB3 CYS A 71 25.286 9.971 -23.652 1.00 0.00 H new ATOM 0 HG CYS A 71 22.871 9.503 -24.693 1.00 0.00 H new ATOM 1090 N ALA A 72 25.762 6.675 -26.414 1.00 0.00 N ATOM 1091 CA ALA A 72 25.814 5.259 -26.756 1.00 0.00 C ATOM 1092 C ALA A 72 25.104 4.413 -25.705 1.00 0.00 C ATOM 1093 O ALA A 72 25.455 3.254 -25.484 1.00 0.00 O ATOM 1094 CB ALA A 72 27.259 4.806 -26.913 1.00 0.00 C ATOM 0 H ALA A 72 25.261 7.254 -27.088 1.00 0.00 H new ATOM 0 HA ALA A 72 25.296 5.121 -27.705 1.00 0.00 H new ATOM 0 HB1 ALA A 72 27.282 3.747 -27.168 1.00 0.00 H new ATOM 0 HB2 ALA A 72 27.736 5.381 -27.706 1.00 0.00 H new ATOM 0 HB3 ALA A 72 27.794 4.966 -25.977 1.00 0.00 H new ATOM 1100 N LYS A 73 24.103 5.000 -25.058 1.00 0.00 N ATOM 1101 CA LYS A 73 23.342 4.301 -24.029 1.00 0.00 C ATOM 1102 C LYS A 73 22.557 3.139 -24.628 1.00 0.00 C ATOM 1103 O LYS A 73 22.278 3.119 -25.827 1.00 0.00 O ATOM 1104 CB LYS A 73 22.386 5.268 -23.328 1.00 0.00 C ATOM 1105 CG LYS A 73 22.988 5.940 -22.106 1.00 0.00 C ATOM 1106 CD LYS A 73 22.003 6.896 -21.453 1.00 0.00 C ATOM 1107 CE LYS A 73 22.585 7.522 -20.195 1.00 0.00 C ATOM 1108 NZ LYS A 73 21.536 8.181 -19.367 1.00 0.00 N ATOM 0 H LYS A 73 23.800 5.959 -25.228 1.00 0.00 H new ATOM 0 HA LYS A 73 24.047 3.903 -23.299 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.074 6.035 -24.037 1.00 0.00 H new ATOM 0 HB3 LYS A 73 21.489 4.726 -23.029 1.00 0.00 H new ATOM 0 HG2 LYS A 73 23.292 5.181 -21.385 1.00 0.00 H new ATOM 0 HG3 LYS A 73 23.887 6.484 -22.395 1.00 0.00 H new ATOM 0 HD2 LYS A 73 21.733 7.681 -22.160 1.00 0.00 H new ATOM 0 HD3 LYS A 73 21.086 6.362 -21.204 1.00 0.00 H new ATOM 0 HE2 LYS A 73 23.084 6.754 -19.605 1.00 0.00 H new ATOM 0 HE3 LYS A 73 23.343 8.255 -20.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.973 8.595 -18.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 21.076 8.931 -19.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.826 7.477 -19.082 1.00 0.00 H new ATOM 1122 N ARG A 74 22.204 2.173 -23.787 1.00 0.00 N ATOM 1123 CA ARG A 74 21.451 1.007 -24.234 1.00 0.00 C ATOM 1124 C ARG A 74 20.052 0.997 -23.624 1.00 0.00 C ATOM 1125 O ARG A 74 19.885 1.205 -22.422 1.00 0.00 O ATOM 1126 CB ARG A 74 22.191 -0.278 -23.861 1.00 0.00 C ATOM 1127 CG ARG A 74 23.589 -0.369 -24.449 1.00 0.00 C ATOM 1128 CD ARG A 74 24.447 -1.373 -23.696 1.00 0.00 C ATOM 1129 NE ARG A 74 25.168 -0.754 -22.587 1.00 0.00 N ATOM 1130 CZ ARG A 74 24.716 -0.730 -21.338 1.00 0.00 C ATOM 1131 NH1 ARG A 74 23.550 -1.287 -21.041 1.00 0.00 N ATOM 1132 NH2 ARG A 74 25.430 -0.147 -20.384 1.00 0.00 N ATOM 0 H ARG A 74 22.427 2.174 -22.792 1.00 0.00 H new ATOM 0 HA ARG A 74 21.355 1.061 -25.318 1.00 0.00 H new ATOM 0 HB2 ARG A 74 22.258 -0.346 -22.775 1.00 0.00 H new ATOM 0 HB3 ARG A 74 21.607 -1.134 -24.199 1.00 0.00 H new ATOM 0 HG2 ARG A 74 23.525 -0.658 -25.498 1.00 0.00 H new ATOM 0 HG3 ARG A 74 24.063 0.612 -24.417 1.00 0.00 H new ATOM 0 HD2 ARG A 74 23.816 -2.176 -23.315 1.00 0.00 H new ATOM 0 HD3 ARG A 74 25.160 -1.828 -24.383 1.00 0.00 H new ATOM 0 HE ARG A 74 26.068 -0.316 -22.782 1.00 0.00 H new ATOM 0 HH11 ARG A 74 22.998 -1.735 -21.772 1.00 0.00 H new ATOM 0 HH12 ARG A 74 23.205 -1.267 -20.081 1.00 0.00 H new ATOM 0 HH21 ARG A 74 26.327 0.283 -20.609 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.082 -0.129 -19.425 1.00 0.00 H new ATOM 1146 N PHE A 75 19.049 0.755 -24.462 1.00 0.00 N ATOM 1147 CA PHE A 75 17.664 0.719 -24.006 1.00 0.00 C ATOM 1148 C PHE A 75 16.970 -0.557 -24.474 1.00 0.00 C ATOM 1149 O PHE A 75 16.975 -0.879 -25.662 1.00 0.00 O ATOM 1150 CB PHE A 75 16.904 1.944 -24.519 1.00 0.00 C ATOM 1151 CG PHE A 75 17.405 3.241 -23.952 1.00 0.00 C ATOM 1152 CD1 PHE A 75 18.524 3.860 -24.485 1.00 0.00 C ATOM 1153 CD2 PHE A 75 16.756 3.841 -22.885 1.00 0.00 C ATOM 1154 CE1 PHE A 75 18.987 5.054 -23.965 1.00 0.00 C ATOM 1155 CE2 PHE A 75 17.214 5.036 -22.361 1.00 0.00 C ATOM 1156 CZ PHE A 75 18.331 5.642 -22.901 1.00 0.00 C ATOM 0 H PHE A 75 19.169 0.581 -25.460 1.00 0.00 H new ATOM 0 HA PHE A 75 17.666 0.731 -22.916 1.00 0.00 H new ATOM 0 HB2 PHE A 75 16.979 1.979 -25.606 1.00 0.00 H new ATOM 0 HB3 PHE A 75 15.847 1.834 -24.275 1.00 0.00 H new ATOM 0 HD1 PHE A 75 19.041 3.404 -25.317 1.00 0.00 H new ATOM 0 HD2 PHE A 75 15.883 3.370 -22.458 1.00 0.00 H new ATOM 0 HE1 PHE A 75 19.860 5.526 -24.390 1.00 0.00 H new ATOM 0 HE2 PHE A 75 16.699 5.495 -21.530 1.00 0.00 H new ATOM 0 HZ PHE A 75 18.691 6.574 -22.492 1.00 0.00 H new ATOM 1166 N MET A 76 16.375 -1.280 -23.531 1.00 0.00 N ATOM 1167 CA MET A 76 15.677 -2.521 -23.846 1.00 0.00 C ATOM 1168 C MET A 76 14.429 -2.245 -24.680 1.00 0.00 C ATOM 1169 O MET A 76 14.146 -2.958 -25.643 1.00 0.00 O ATOM 1170 CB MET A 76 15.293 -3.256 -22.561 1.00 0.00 C ATOM 1171 CG MET A 76 14.606 -4.590 -22.806 1.00 0.00 C ATOM 1172 SD MET A 76 14.101 -5.402 -21.277 1.00 0.00 S ATOM 1173 CE MET A 76 12.323 -5.439 -21.485 1.00 0.00 C ATOM 0 H MET A 76 16.362 -1.028 -22.543 1.00 0.00 H new ATOM 0 HA MET A 76 16.351 -3.150 -24.428 1.00 0.00 H new ATOM 0 HB2 MET A 76 16.191 -3.423 -21.965 1.00 0.00 H new ATOM 0 HB3 MET A 76 14.633 -2.620 -21.971 1.00 0.00 H new ATOM 0 HG2 MET A 76 13.730 -4.433 -23.436 1.00 0.00 H new ATOM 0 HG3 MET A 76 15.281 -5.246 -23.356 1.00 0.00 H new ATOM 0 HE1 MET A 76 11.846 -4.981 -20.619 1.00 0.00 H new ATOM 0 HE2 MET A 76 12.050 -4.887 -22.384 1.00 0.00 H new ATOM 0 HE3 MET A 76 11.989 -6.472 -21.579 1.00 0.00 H new ATOM 1183 N TRP A 77 13.689 -1.209 -24.304 1.00 0.00 N ATOM 1184 CA TRP A 77 12.471 -0.841 -25.017 1.00 0.00 C ATOM 1185 C TRP A 77 12.756 0.231 -26.064 1.00 0.00 C ATOM 1186 O TRP A 77 13.458 1.205 -25.792 1.00 0.00 O ATOM 1187 CB TRP A 77 11.410 -0.342 -24.035 1.00 0.00 C ATOM 1188 CG TRP A 77 11.067 -1.343 -22.973 1.00 0.00 C ATOM 1189 CD1 TRP A 77 11.612 -1.432 -21.724 1.00 0.00 C ATOM 1190 CD2 TRP A 77 10.103 -2.397 -23.069 1.00 0.00 C ATOM 1191 NE1 TRP A 77 11.044 -2.478 -21.037 1.00 0.00 N ATOM 1192 CE2 TRP A 77 10.115 -3.086 -21.840 1.00 0.00 C ATOM 1193 CE3 TRP A 77 9.229 -2.825 -24.072 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 9.289 -4.178 -21.591 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 8.410 -3.909 -23.823 1.00 0.00 C ATOM 1196 CH2 TRP A 77 8.443 -4.575 -22.590 1.00 0.00 C ATOM 0 H TRP A 77 13.911 -0.609 -23.510 1.00 0.00 H new ATOM 0 HA TRP A 77 12.096 -1.729 -25.525 1.00 0.00 H new ATOM 0 HB2 TRP A 77 11.765 0.573 -23.561 1.00 0.00 H new ATOM 0 HB3 TRP A 77 10.506 -0.085 -24.587 1.00 0.00 H new ATOM 0 HD1 TRP A 77 12.377 -0.777 -21.334 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.276 -2.757 -20.084 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.195 -2.317 -25.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 9.315 -4.694 -20.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 7.732 -4.249 -24.592 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.788 -5.418 -22.426 1.00 0.00 H new ATOM 1207 N ARG A 78 12.208 0.044 -27.260 1.00 0.00 N ATOM 1208 CA ARG A 78 12.406 0.996 -28.347 1.00 0.00 C ATOM 1209 C ARG A 78 11.864 2.371 -27.971 1.00 0.00 C ATOM 1210 O ARG A 78 12.588 3.366 -28.010 1.00 0.00 O ATOM 1211 CB ARG A 78 11.720 0.496 -29.621 1.00 0.00 C ATOM 1212 CG ARG A 78 12.087 1.293 -30.862 1.00 0.00 C ATOM 1213 CD ARG A 78 11.136 1.002 -32.012 1.00 0.00 C ATOM 1214 NE ARG A 78 11.472 -0.242 -32.699 1.00 0.00 N ATOM 1215 CZ ARG A 78 10.696 -0.807 -33.617 1.00 0.00 C ATOM 1216 NH1 ARG A 78 9.546 -0.242 -33.957 1.00 0.00 N ATOM 1217 NH2 ARG A 78 11.071 -1.940 -34.198 1.00 0.00 N ATOM 0 H ARG A 78 11.624 -0.757 -27.501 1.00 0.00 H new ATOM 0 HA ARG A 78 13.477 1.085 -28.529 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.984 -0.550 -29.780 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.640 0.534 -29.481 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.066 2.358 -30.631 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.107 1.052 -31.162 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.116 0.942 -31.633 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.164 1.828 -32.723 1.00 0.00 H new ATOM 0 HE ARG A 78 12.351 -0.702 -32.461 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.255 0.629 -33.513 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.952 -0.678 -34.662 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.956 -2.377 -33.940 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.475 -2.373 -34.903 1.00 0.00 H new ATOM 1231 N ASP A 79 10.587 2.419 -27.608 1.00 0.00 N ATOM 1232 CA ASP A 79 9.948 3.673 -27.224 1.00 0.00 C ATOM 1233 C ASP A 79 10.909 4.552 -26.429 1.00 0.00 C ATOM 1234 O ASP A 79 11.006 5.755 -26.668 1.00 0.00 O ATOM 1235 CB ASP A 79 8.689 3.397 -26.399 1.00 0.00 C ATOM 1236 CG ASP A 79 7.801 4.618 -26.272 1.00 0.00 C ATOM 1237 OD1 ASP A 79 8.343 5.740 -26.193 1.00 0.00 O ATOM 1238 OD2 ASP A 79 6.563 4.453 -26.251 1.00 0.00 O ATOM 0 H ASP A 79 9.974 1.605 -27.571 1.00 0.00 H new ATOM 0 HA ASP A 79 9.668 4.203 -28.134 1.00 0.00 H new ATOM 0 HB2 ASP A 79 8.125 2.588 -26.862 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.977 3.056 -25.405 1.00 0.00 H new ATOM 1243 N SER A 80 11.615 3.942 -25.483 1.00 0.00 N ATOM 1244 CA SER A 80 12.565 4.670 -24.649 1.00 0.00 C ATOM 1245 C SER A 80 13.792 5.083 -25.457 1.00 0.00 C ATOM 1246 O SER A 80 14.329 6.176 -25.276 1.00 0.00 O ATOM 1247 CB SER A 80 12.991 3.812 -23.457 1.00 0.00 C ATOM 1248 OG SER A 80 13.307 4.618 -22.335 1.00 0.00 O ATOM 0 H SER A 80 11.548 2.946 -25.275 1.00 0.00 H new ATOM 0 HA SER A 80 12.073 5.571 -24.282 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.189 3.121 -23.198 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.856 3.208 -23.730 1.00 0.00 H new ATOM 0 HG SER A 80 14.277 4.618 -22.195 1.00 0.00 H new ATOM 1254 N PHE A 81 14.229 4.200 -26.350 1.00 0.00 N ATOM 1255 CA PHE A 81 15.393 4.472 -27.185 1.00 0.00 C ATOM 1256 C PHE A 81 15.196 5.751 -27.993 1.00 0.00 C ATOM 1257 O PHE A 81 15.883 6.750 -27.772 1.00 0.00 O ATOM 1258 CB PHE A 81 15.655 3.295 -28.128 1.00 0.00 C ATOM 1259 CG PHE A 81 16.360 3.688 -29.395 1.00 0.00 C ATOM 1260 CD1 PHE A 81 17.614 4.276 -29.352 1.00 0.00 C ATOM 1261 CD2 PHE A 81 15.769 3.471 -30.629 1.00 0.00 C ATOM 1262 CE1 PHE A 81 18.266 4.638 -30.515 1.00 0.00 C ATOM 1263 CE2 PHE A 81 16.416 3.831 -31.796 1.00 0.00 C ATOM 1264 CZ PHE A 81 17.666 4.416 -31.739 1.00 0.00 C ATOM 0 H PHE A 81 13.795 3.292 -26.513 1.00 0.00 H new ATOM 0 HA PHE A 81 16.255 4.606 -26.532 1.00 0.00 H new ATOM 0 HB2 PHE A 81 16.252 2.547 -27.606 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.705 2.824 -28.381 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.087 4.453 -28.398 1.00 0.00 H new ATOM 0 HD2 PHE A 81 14.791 3.015 -30.680 1.00 0.00 H new ATOM 0 HE1 PHE A 81 19.244 5.094 -30.467 1.00 0.00 H new ATOM 0 HE2 PHE A 81 15.945 3.655 -32.752 1.00 0.00 H new ATOM 0 HZ PHE A 81 18.173 4.699 -32.650 1.00 0.00 H new ATOM 1274 N HIS A 82 14.254 5.714 -28.930 1.00 0.00 N ATOM 1275 CA HIS A 82 13.966 6.870 -29.771 1.00 0.00 C ATOM 1276 C HIS A 82 13.600 8.083 -28.920 1.00 0.00 C ATOM 1277 O HIS A 82 14.053 9.197 -29.184 1.00 0.00 O ATOM 1278 CB HIS A 82 12.829 6.551 -30.741 1.00 0.00 C ATOM 1279 CG HIS A 82 13.290 5.915 -32.016 1.00 0.00 C ATOM 1280 ND1 HIS A 82 12.532 5.003 -32.720 1.00 0.00 N ATOM 1281 CD2 HIS A 82 14.439 6.065 -32.715 1.00 0.00 C ATOM 1282 CE1 HIS A 82 13.195 4.619 -33.795 1.00 0.00 C ATOM 1283 NE2 HIS A 82 14.356 5.249 -33.816 1.00 0.00 N ATOM 0 H HIS A 82 13.677 4.896 -29.126 1.00 0.00 H new ATOM 0 HA HIS A 82 14.864 7.106 -30.342 1.00 0.00 H new ATOM 0 HB2 HIS A 82 12.119 5.886 -30.249 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.294 7.471 -30.976 1.00 0.00 H new ATOM 0 HD2 HIS A 82 15.267 6.707 -32.455 1.00 0.00 H new ATOM 0 HE1 HIS A 82 12.847 3.910 -34.532 1.00 0.00 H new ATOM 0 HE2 HIS A 82 15.074 5.146 -34.533 1.00 0.00 H new ATOM 1291 N ARG A 83 12.777 7.858 -27.901 1.00 0.00 N ATOM 1292 CA ARG A 83 12.349 8.933 -27.014 1.00 0.00 C ATOM 1293 C ARG A 83 13.552 9.653 -26.412 1.00 0.00 C ATOM 1294 O ARG A 83 13.615 10.883 -26.408 1.00 0.00 O ATOM 1295 CB ARG A 83 11.462 8.378 -25.898 1.00 0.00 C ATOM 1296 CG ARG A 83 11.122 9.400 -24.825 1.00 0.00 C ATOM 1297 CD ARG A 83 10.169 8.825 -23.789 1.00 0.00 C ATOM 1298 NE ARG A 83 9.496 9.871 -23.024 1.00 0.00 N ATOM 1299 CZ ARG A 83 8.913 9.662 -21.849 1.00 0.00 C ATOM 1300 NH1 ARG A 83 8.922 8.453 -21.306 1.00 0.00 N ATOM 1301 NH2 ARG A 83 8.321 10.665 -21.213 1.00 0.00 N ATOM 0 H ARG A 83 12.394 6.942 -27.669 1.00 0.00 H new ATOM 0 HA ARG A 83 11.776 9.650 -27.602 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.537 8.000 -26.334 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.965 7.530 -25.434 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.037 9.732 -24.334 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.672 10.278 -25.287 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.424 8.204 -24.287 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.721 8.177 -23.109 1.00 0.00 H new ATOM 0 HE ARG A 83 9.472 10.814 -23.413 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.378 7.680 -21.791 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.473 8.296 -20.404 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.313 11.597 -21.626 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.874 10.504 -20.311 1.00 0.00 H new ATOM 1315 N HIS A 84 14.505 8.878 -25.903 1.00 0.00 N ATOM 1316 CA HIS A 84 15.707 9.442 -25.298 1.00 0.00 C ATOM 1317 C HIS A 84 16.602 10.076 -26.358 1.00 0.00 C ATOM 1318 O HIS A 84 16.828 11.286 -26.351 1.00 0.00 O ATOM 1319 CB HIS A 84 16.478 8.360 -24.542 1.00 0.00 C ATOM 1320 CG HIS A 84 17.921 8.698 -24.320 1.00 0.00 C ATOM 1321 ND1 HIS A 84 18.423 9.088 -23.096 1.00 0.00 N ATOM 1322 CD2 HIS A 84 18.971 8.700 -25.174 1.00 0.00 C ATOM 1323 CE1 HIS A 84 19.719 9.317 -23.207 1.00 0.00 C ATOM 1324 NE2 HIS A 84 20.077 9.089 -24.458 1.00 0.00 N ATOM 0 H HIS A 84 14.468 7.859 -25.897 1.00 0.00 H new ATOM 0 HA HIS A 84 15.402 10.217 -24.595 1.00 0.00 H new ATOM 0 HB2 HIS A 84 16.000 8.192 -23.577 1.00 0.00 H new ATOM 0 HB3 HIS A 84 16.414 7.424 -25.097 1.00 0.00 H new ATOM 0 HD2 HIS A 84 18.944 8.444 -26.223 1.00 0.00 H new ATOM 0 HE1 HIS A 84 20.375 9.636 -22.410 1.00 0.00 H new ATOM 0 HE2 HIS A 84 21.021 9.186 -24.832 1.00 0.00 H new ATOM 1332 N VAL A 85 17.111 9.250 -27.267 1.00 0.00 N ATOM 1333 CA VAL A 85 17.982 9.730 -28.333 1.00 0.00 C ATOM 1334 C VAL A 85 17.501 11.073 -28.873 1.00 0.00 C ATOM 1335 O VAL A 85 18.271 12.031 -28.961 1.00 0.00 O ATOM 1336 CB VAL A 85 18.057 8.720 -29.494 1.00 0.00 C ATOM 1337 CG1 VAL A 85 19.033 9.200 -30.557 1.00 0.00 C ATOM 1338 CG2 VAL A 85 18.451 7.345 -28.978 1.00 0.00 C ATOM 0 H VAL A 85 16.935 8.245 -27.286 1.00 0.00 H new ATOM 0 HA VAL A 85 18.975 9.850 -27.900 1.00 0.00 H new ATOM 0 HB VAL A 85 17.070 8.643 -29.950 1.00 0.00 H new ATOM 0 HG11 VAL A 85 19.073 8.474 -31.369 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.702 10.163 -30.947 1.00 0.00 H new ATOM 0 HG13 VAL A 85 20.025 9.308 -30.118 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.499 6.644 -29.811 1.00 0.00 H new ATOM 0 HG22 VAL A 85 19.427 7.403 -28.496 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.710 7.001 -28.257 1.00 0.00 H new ATOM 1348 N THR A 86 16.223 11.137 -29.233 1.00 0.00 N ATOM 1349 CA THR A 86 15.640 12.362 -29.765 1.00 0.00 C ATOM 1350 C THR A 86 16.075 13.576 -28.952 1.00 0.00 C ATOM 1351 O THR A 86 16.376 14.632 -29.509 1.00 0.00 O ATOM 1352 CB THR A 86 14.101 12.291 -29.777 1.00 0.00 C ATOM 1353 OG1 THR A 86 13.667 11.204 -30.602 1.00 0.00 O ATOM 1354 CG2 THR A 86 13.504 13.593 -30.290 1.00 0.00 C ATOM 0 H THR A 86 15.572 10.355 -29.166 1.00 0.00 H new ATOM 0 HA THR A 86 16.000 12.466 -30.788 1.00 0.00 H new ATOM 0 HB THR A 86 13.758 12.130 -28.755 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.330 10.478 -30.036 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.416 13.520 -30.290 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.813 14.414 -29.643 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.855 13.779 -31.305 1.00 0.00 H new ATOM 1362 N SER A 87 16.106 13.419 -27.633 1.00 0.00 N ATOM 1363 CA SER A 87 16.501 14.505 -26.743 1.00 0.00 C ATOM 1364 C SER A 87 18.018 14.555 -26.589 1.00 0.00 C ATOM 1365 O SER A 87 18.619 15.630 -26.593 1.00 0.00 O ATOM 1366 CB SER A 87 15.844 14.334 -25.372 1.00 0.00 C ATOM 1367 OG SER A 87 14.438 14.199 -25.494 1.00 0.00 O ATOM 0 H SER A 87 15.862 12.551 -27.157 1.00 0.00 H new ATOM 0 HA SER A 87 16.166 15.444 -27.184 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.255 13.455 -24.875 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.077 15.194 -24.744 1.00 0.00 H new ATOM 0 HG SER A 87 14.041 14.089 -24.605 1.00 0.00 H new ATOM 1373 N CYS A 88 18.632 13.384 -26.453 1.00 0.00 N ATOM 1374 CA CYS A 88 20.079 13.292 -26.297 1.00 0.00 C ATOM 1375 C CYS A 88 20.796 13.952 -27.472 1.00 0.00 C ATOM 1376 O CYS A 88 21.948 14.371 -27.355 1.00 0.00 O ATOM 1377 CB CYS A 88 20.508 11.828 -26.180 1.00 0.00 C ATOM 1378 SG CYS A 88 22.223 11.600 -25.611 1.00 0.00 S ATOM 0 H CYS A 88 18.150 12.485 -26.448 1.00 0.00 H new ATOM 0 HA CYS A 88 20.355 13.819 -25.384 1.00 0.00 H new ATOM 0 HB2 CYS A 88 19.836 11.318 -25.490 1.00 0.00 H new ATOM 0 HB3 CYS A 88 20.392 11.348 -27.151 1.00 0.00 H new ATOM 0 HG CYS A 88 22.954 12.591 -26.028 1.00 0.00 H new ATOM 1383 N THR A 89 20.105 14.041 -28.605 1.00 0.00 N ATOM 1384 CA THR A 89 20.675 14.648 -29.801 1.00 0.00 C ATOM 1385 C THR A 89 20.567 16.167 -29.751 1.00 0.00 C ATOM 1386 O THR A 89 21.550 16.878 -29.963 1.00 0.00 O ATOM 1387 CB THR A 89 19.979 14.136 -31.076 1.00 0.00 C ATOM 1388 OG1 THR A 89 20.048 12.707 -31.132 1.00 0.00 O ATOM 1389 CG2 THR A 89 20.625 14.728 -32.320 1.00 0.00 C ATOM 0 H THR A 89 19.150 13.700 -28.719 1.00 0.00 H new ATOM 0 HA THR A 89 21.727 14.363 -29.831 1.00 0.00 H new ATOM 0 HB THR A 89 18.935 14.448 -31.043 1.00 0.00 H new ATOM 0 HG1 THR A 89 19.479 12.324 -30.431 1.00 0.00 H new ATOM 0 HG21 THR A 89 20.117 14.352 -33.208 1.00 0.00 H new ATOM 0 HG22 THR A 89 20.546 15.815 -32.289 1.00 0.00 H new ATOM 0 HG23 THR A 89 21.676 14.442 -32.355 1.00 0.00 H new ATOM 1397 N LYS A 90 19.366 16.661 -29.470 1.00 0.00 N ATOM 1398 CA LYS A 90 19.128 18.098 -29.390 1.00 0.00 C ATOM 1399 C LYS A 90 20.345 18.820 -28.821 1.00 0.00 C ATOM 1400 O LYS A 90 20.779 19.840 -29.356 1.00 0.00 O ATOM 1401 CB LYS A 90 17.900 18.385 -28.522 1.00 0.00 C ATOM 1402 CG LYS A 90 16.599 18.429 -29.305 1.00 0.00 C ATOM 1403 CD LYS A 90 15.395 18.494 -28.382 1.00 0.00 C ATOM 1404 CE LYS A 90 15.078 19.926 -27.978 1.00 0.00 C ATOM 1405 NZ LYS A 90 13.748 20.034 -27.317 1.00 0.00 N ATOM 0 H LYS A 90 18.541 16.087 -29.294 1.00 0.00 H new ATOM 0 HA LYS A 90 18.947 18.468 -30.399 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.824 17.619 -27.750 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.040 19.338 -28.013 1.00 0.00 H new ATOM 0 HG2 LYS A 90 16.600 19.296 -29.965 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.525 17.546 -29.939 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.530 18.055 -28.879 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.586 17.897 -27.490 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.850 20.292 -27.302 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.098 20.565 -28.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.569 21.025 -27.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.008 19.709 -27.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.737 19.444 -26.461 1.00 0.00 H new ATOM 1419 N SER A 91 20.893 18.283 -27.735 1.00 0.00 N ATOM 1420 CA SER A 91 22.059 18.878 -27.093 1.00 0.00 C ATOM 1421 C SER A 91 23.281 18.794 -28.002 1.00 0.00 C ATOM 1422 O SER A 91 23.972 19.788 -28.226 1.00 0.00 O ATOM 1423 CB SER A 91 22.348 18.178 -25.764 1.00 0.00 C ATOM 1424 OG SER A 91 21.360 18.490 -24.798 1.00 0.00 O ATOM 0 H SER A 91 20.548 17.437 -27.282 1.00 0.00 H new ATOM 0 HA SER A 91 21.842 19.929 -26.902 1.00 0.00 H new ATOM 0 HB2 SER A 91 22.383 17.099 -25.918 1.00 0.00 H new ATOM 0 HB3 SER A 91 23.329 18.480 -25.396 1.00 0.00 H new ATOM 0 HG SER A 91 21.567 18.029 -23.958 1.00 0.00 H new ATOM 1430 N TYR A 92 23.542 17.600 -28.523 1.00 0.00 N ATOM 1431 CA TYR A 92 24.682 17.383 -29.405 1.00 0.00 C ATOM 1432 C TYR A 92 24.632 18.328 -30.602 1.00 0.00 C ATOM 1433 O TYR A 92 25.644 18.913 -30.987 1.00 0.00 O ATOM 1434 CB TYR A 92 24.712 15.932 -29.888 1.00 0.00 C ATOM 1435 CG TYR A 92 25.798 15.653 -30.902 1.00 0.00 C ATOM 1436 CD1 TYR A 92 25.723 16.170 -32.190 1.00 0.00 C ATOM 1437 CD2 TYR A 92 26.900 14.873 -30.573 1.00 0.00 C ATOM 1438 CE1 TYR A 92 26.713 15.918 -33.120 1.00 0.00 C ATOM 1439 CE2 TYR A 92 27.895 14.616 -31.496 1.00 0.00 C ATOM 1440 CZ TYR A 92 27.797 15.141 -32.768 1.00 0.00 C ATOM 1441 OH TYR A 92 28.786 14.887 -33.691 1.00 0.00 O ATOM 0 H TYR A 92 22.979 16.767 -28.349 1.00 0.00 H new ATOM 0 HA TYR A 92 25.591 17.589 -28.839 1.00 0.00 H new ATOM 0 HB2 TYR A 92 24.851 15.275 -29.029 1.00 0.00 H new ATOM 0 HB3 TYR A 92 23.745 15.684 -30.326 1.00 0.00 H new ATOM 0 HD1 TYR A 92 24.876 16.779 -32.469 1.00 0.00 H new ATOM 0 HD2 TYR A 92 26.980 14.460 -29.578 1.00 0.00 H new ATOM 0 HE1 TYR A 92 26.639 16.327 -34.117 1.00 0.00 H new ATOM 0 HE2 TYR A 92 28.745 14.008 -31.223 1.00 0.00 H new ATOM 0 HH TYR A 92 29.478 14.325 -33.283 1.00 0.00 H new ATOM 1451 N GLU A 93 23.446 18.472 -31.185 1.00 0.00 N ATOM 1452 CA GLU A 93 23.263 19.346 -32.338 1.00 0.00 C ATOM 1453 C GLU A 93 23.730 20.765 -32.025 1.00 0.00 C ATOM 1454 O GLU A 93 24.474 21.369 -32.797 1.00 0.00 O ATOM 1455 CB GLU A 93 21.794 19.363 -32.765 1.00 0.00 C ATOM 1456 CG GLU A 93 21.420 18.230 -33.705 1.00 0.00 C ATOM 1457 CD GLU A 93 19.972 18.296 -34.151 1.00 0.00 C ATOM 1458 OE1 GLU A 93 19.527 19.388 -34.561 1.00 0.00 O ATOM 1459 OE2 GLU A 93 19.284 17.256 -34.089 1.00 0.00 O ATOM 0 H GLU A 93 22.598 17.995 -30.878 1.00 0.00 H new ATOM 0 HA GLU A 93 23.867 18.956 -33.157 1.00 0.00 H new ATOM 0 HB2 GLU A 93 21.165 19.309 -31.876 1.00 0.00 H new ATOM 0 HB3 GLU A 93 21.577 20.314 -33.251 1.00 0.00 H new ATOM 0 HG2 GLU A 93 22.068 18.261 -34.581 1.00 0.00 H new ATOM 0 HG3 GLU A 93 21.600 17.276 -33.209 1.00 0.00 H new