USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 771 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 106 THR OG1 : rot 180:sc= -1.55! USER MOD Set 1.2: A 107 GLN : amide:sc= 0 X(o=-1.5,f=-1.5) USER MOD Set 2.1: A 54 SER OG : rot 168:sc= -1.02 USER MOD Set 2.2: A 61 CYS SG : rot -106:sc= -1.12 USER MOD Set 2.3: A 63 HIS : no HD1:sc= -1.35 K(o=-3.5,f=-7!) USER MOD Set 3.1: A 45 SER OG : rot -135:sc= 0.374 USER MOD Set 3.2: A 48 HIS : no HD1:sc= -0.0779 K(o=-0.25,f=-4.2!) USER MOD Set 3.3: A 65 MET CE :methyl -136:sc= -0.544 (180deg=-3.08!) USER MOD Set 4.1: A 20 HIS : no HE2:sc= -4.99 K(o=-5.6,f=-7!) USER MOD Set 4.2: A 109 CYS SG : rot 160:sc= -0.654 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0627 USER MOD Single : A 30 ASN : amide:sc= 0.29 K(o=0.29,f=-0.65) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0752 K(o=-0.075,f=-3.5!) USER MOD Single : A 39 SER OG : rot 95:sc= 0.216 USER MOD Single : A 46 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 78:sc= 0.274 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0604 K(o=-0.06,f=-1.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 14:sc= 1.22 USER MOD Single : A 62 CYS SG : rot 173:sc= -2.77! USER MOD Single : A 67 LYS NZ :NH3+ -122:sc= -1.27! (180deg=-2.89!) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.614 USER MOD Single : A 75 MET CE :methyl 180:sc= -2.19 (180deg=-2.19) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -5.05! C(o=-7!,f=-5.1!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 21:sc= 0.252 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -3.77! C(o=-4.3!,f=-3.8!) USER MOD Single : A 94 GLN : amide:sc= -0.321 K(o=-0.32,f=-3.4!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 15 -7.833 1.362 -15.653 1.00 0.00 N ATOM 156 CA VAL A 15 -7.131 1.726 -14.427 1.00 0.00 C ATOM 157 C VAL A 15 -6.883 3.228 -14.361 1.00 0.00 C ATOM 158 O VAL A 15 -6.526 3.868 -15.351 1.00 0.00 O ATOM 159 CB VAL A 15 -5.784 0.988 -14.311 1.00 0.00 C ATOM 160 CG1 VAL A 15 -5.040 1.429 -13.061 1.00 0.00 C ATOM 161 CG2 VAL A 15 -6.001 -0.517 -14.310 1.00 0.00 C ATOM 0 HA VAL A 15 -7.771 1.430 -13.596 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.173 1.243 -15.177 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.091 0.897 -12.996 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.852 2.502 -13.109 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.643 1.205 -12.181 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.039 -1.023 -14.227 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.630 -0.793 -13.464 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.489 -0.815 -15.238 1.00 0.00 H new ATOM 171 N PRO A 16 -7.073 3.808 -13.166 1.00 0.00 N ATOM 172 CA PRO A 16 -6.874 5.242 -12.942 1.00 0.00 C ATOM 173 C PRO A 16 -5.404 5.642 -13.010 1.00 0.00 C ATOM 174 O PRO A 16 -4.534 4.802 -13.241 1.00 0.00 O ATOM 175 CB PRO A 16 -7.422 5.460 -11.529 1.00 0.00 C ATOM 176 CG PRO A 16 -7.291 4.134 -10.864 1.00 0.00 C ATOM 177 CD PRO A 16 -7.497 3.106 -11.943 1.00 0.00 C ATOM 0 HA PRO A 16 -7.368 5.845 -13.704 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.857 6.226 -10.999 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.461 5.790 -11.554 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.309 4.024 -10.403 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.030 4.021 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.900 2.211 -11.765 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.538 2.788 -12.002 1.00 0.00 H new ATOM 185 N GLU A 17 -5.134 6.928 -12.808 1.00 0.00 N ATOM 186 CA GLU A 17 -3.769 7.437 -12.847 1.00 0.00 C ATOM 187 C GLU A 17 -3.132 7.393 -11.461 1.00 0.00 C ATOM 188 O GLU A 17 -1.914 7.274 -11.330 1.00 0.00 O ATOM 189 CB GLU A 17 -3.750 8.869 -13.385 1.00 0.00 C ATOM 190 CG GLU A 17 -4.546 9.848 -12.537 1.00 0.00 C ATOM 191 CD GLU A 17 -5.124 10.989 -13.351 1.00 0.00 C ATOM 192 OE1 GLU A 17 -4.464 11.419 -14.320 1.00 0.00 O ATOM 193 OE2 GLU A 17 -6.236 11.451 -13.021 1.00 0.00 O ATOM 0 H GLU A 17 -5.843 7.636 -12.616 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.189 6.799 -13.514 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.717 9.211 -13.447 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.148 8.872 -14.400 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.356 9.316 -12.038 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.902 10.253 -11.756 1.00 0.00 H new ATOM 200 N TRP A 18 -3.964 7.492 -10.431 1.00 0.00 N ATOM 201 CA TRP A 18 -3.482 7.464 -9.054 1.00 0.00 C ATOM 202 C TRP A 18 -3.076 6.052 -8.648 1.00 0.00 C ATOM 203 O TRP A 18 -2.560 5.835 -7.551 1.00 0.00 O ATOM 204 CB TRP A 18 -4.560 7.991 -8.105 1.00 0.00 C ATOM 205 CG TRP A 18 -5.895 7.340 -8.302 1.00 0.00 C ATOM 206 CD1 TRP A 18 -6.936 7.813 -9.049 1.00 0.00 C ATOM 207 CD2 TRP A 18 -6.333 6.096 -7.743 1.00 0.00 C ATOM 208 NE1 TRP A 18 -7.995 6.940 -8.987 1.00 0.00 N ATOM 209 CE2 TRP A 18 -7.650 5.879 -8.193 1.00 0.00 C ATOM 210 CE3 TRP A 18 -5.742 5.146 -6.907 1.00 0.00 C ATOM 211 CZ2 TRP A 18 -8.383 4.750 -7.833 1.00 0.00 C ATOM 212 CZ3 TRP A 18 -6.469 4.026 -6.551 1.00 0.00 C ATOM 213 CH2 TRP A 18 -7.777 3.835 -7.014 1.00 0.00 C ATOM 0 H TRP A 18 -4.975 7.592 -10.522 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.604 8.107 -8.989 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.236 7.835 -7.076 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.664 9.067 -8.246 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.928 8.738 -9.607 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -8.892 7.062 -9.456 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.734 5.284 -6.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.393 4.602 -8.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.021 3.286 -5.905 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -8.319 2.948 -6.719 1.00 0.00 H new ATOM 224 N PHE A 19 -3.311 5.094 -9.538 1.00 0.00 N ATOM 225 CA PHE A 19 -2.969 3.702 -9.271 1.00 0.00 C ATOM 226 C PHE A 19 -1.678 3.312 -9.985 1.00 0.00 C ATOM 227 O PHE A 19 -1.680 3.033 -11.185 1.00 0.00 O ATOM 228 CB PHE A 19 -4.109 2.781 -9.713 1.00 0.00 C ATOM 229 CG PHE A 19 -3.875 1.335 -9.377 1.00 0.00 C ATOM 230 CD1 PHE A 19 -4.156 0.850 -8.110 1.00 0.00 C ATOM 231 CD2 PHE A 19 -3.377 0.462 -10.330 1.00 0.00 C ATOM 232 CE1 PHE A 19 -3.942 -0.479 -7.799 1.00 0.00 C ATOM 233 CE2 PHE A 19 -3.160 -0.869 -10.025 1.00 0.00 C ATOM 234 CZ PHE A 19 -3.444 -1.340 -8.758 1.00 0.00 C ATOM 0 H PHE A 19 -3.737 5.256 -10.451 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.817 3.591 -8.197 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.035 3.110 -9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.247 2.878 -10.790 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.547 1.518 -7.357 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.156 0.825 -11.323 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.164 -0.845 -6.807 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.769 -1.539 -10.776 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.277 -2.380 -8.517 1.00 0.00 H new ATOM 244 N HIS A 20 -0.578 3.294 -9.240 1.00 0.00 N ATOM 245 CA HIS A 20 0.720 2.940 -9.801 1.00 0.00 C ATOM 246 C HIS A 20 1.067 1.487 -9.490 1.00 0.00 C ATOM 247 O HIS A 20 2.206 1.169 -9.150 1.00 0.00 O ATOM 248 CB HIS A 20 1.808 3.864 -9.253 1.00 0.00 C ATOM 249 CG HIS A 20 1.445 5.315 -9.312 1.00 0.00 C ATOM 250 ND1 HIS A 20 2.220 6.260 -9.950 1.00 0.00 N ATOM 251 CD2 HIS A 20 0.380 5.984 -8.809 1.00 0.00 C ATOM 252 CE1 HIS A 20 1.650 7.446 -9.835 1.00 0.00 C ATOM 253 NE2 HIS A 20 0.531 7.305 -9.147 1.00 0.00 N ATOM 0 H HIS A 20 -0.560 3.521 -8.246 1.00 0.00 H new ATOM 0 HA HIS A 20 0.665 3.060 -10.883 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.017 3.592 -8.219 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.727 3.704 -9.817 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.097 6.072 -10.435 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.437 5.557 -8.246 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.033 8.373 -10.235 1.00 0.00 H new ATOM 261 N GLY A 21 0.076 0.608 -9.609 1.00 0.00 N ATOM 262 CA GLY A 21 0.297 -0.800 -9.336 1.00 0.00 C ATOM 263 C GLY A 21 1.137 -1.026 -8.095 1.00 0.00 C ATOM 264 O GLY A 21 0.824 -0.509 -7.023 1.00 0.00 O ATOM 0 H GLY A 21 -0.875 0.846 -9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.665 -1.299 -9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.789 -1.260 -10.193 1.00 0.00 H new ATOM 268 N ALA A 22 2.206 -1.801 -8.240 1.00 0.00 N ATOM 269 CA ALA A 22 3.094 -2.094 -7.121 1.00 0.00 C ATOM 270 C ALA A 22 4.466 -1.460 -7.329 1.00 0.00 C ATOM 271 O ALA A 22 5.190 -1.818 -8.258 1.00 0.00 O ATOM 272 CB ALA A 22 3.228 -3.598 -6.934 1.00 0.00 C ATOM 0 H ALA A 22 2.479 -2.237 -9.121 1.00 0.00 H new ATOM 0 HA ALA A 22 2.657 -1.664 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.894 -3.803 -6.095 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.247 -4.028 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.639 -4.042 -7.840 1.00 0.00 H new ATOM 278 N ILE A 23 4.815 -0.518 -6.459 1.00 0.00 N ATOM 279 CA ILE A 23 6.100 0.164 -6.548 1.00 0.00 C ATOM 280 C ILE A 23 6.869 0.060 -5.235 1.00 0.00 C ATOM 281 O ILE A 23 6.413 -0.576 -4.285 1.00 0.00 O ATOM 282 CB ILE A 23 5.924 1.650 -6.911 1.00 0.00 C ATOM 283 CG1 ILE A 23 5.195 2.390 -5.787 1.00 0.00 C ATOM 284 CG2 ILE A 23 5.166 1.789 -8.222 1.00 0.00 C ATOM 285 CD1 ILE A 23 4.709 3.765 -6.184 1.00 0.00 C ATOM 0 H ILE A 23 4.226 -0.210 -5.685 1.00 0.00 H new ATOM 0 HA ILE A 23 6.666 -0.330 -7.338 1.00 0.00 H new ATOM 0 HB ILE A 23 6.910 2.097 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.343 1.792 -5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.864 2.483 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.050 2.845 -8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.721 1.293 -9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.183 1.329 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.202 4.230 -5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.559 4.380 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.015 3.678 -7.020 1.00 0.00 H new ATOM 297 N SER A 24 8.038 0.692 -5.190 1.00 0.00 N ATOM 298 CA SER A 24 8.873 0.670 -3.993 1.00 0.00 C ATOM 299 C SER A 24 8.727 1.967 -3.204 1.00 0.00 C ATOM 300 O SER A 24 8.496 3.031 -3.777 1.00 0.00 O ATOM 301 CB SER A 24 10.339 0.453 -4.373 1.00 0.00 C ATOM 302 OG SER A 24 10.727 1.319 -5.426 1.00 0.00 O ATOM 0 H SER A 24 8.428 1.225 -5.967 1.00 0.00 H new ATOM 0 HA SER A 24 8.541 -0.156 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.973 0.626 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.490 -0.583 -4.676 1.00 0.00 H new ATOM 0 HG SER A 24 11.668 1.162 -5.649 1.00 0.00 H new ATOM 308 N ARG A 25 8.860 1.868 -1.886 1.00 0.00 N ATOM 309 CA ARG A 25 8.742 3.032 -1.017 1.00 0.00 C ATOM 310 C ARG A 25 9.507 4.221 -1.593 1.00 0.00 C ATOM 311 O ARG A 25 9.139 5.373 -1.369 1.00 0.00 O ATOM 312 CB ARG A 25 9.265 2.705 0.383 1.00 0.00 C ATOM 313 CG ARG A 25 8.580 3.493 1.488 1.00 0.00 C ATOM 314 CD ARG A 25 9.306 4.799 1.773 1.00 0.00 C ATOM 315 NE ARG A 25 10.622 4.575 2.366 1.00 0.00 N ATOM 316 CZ ARG A 25 11.376 5.547 2.869 1.00 0.00 C ATOM 317 NH1 ARG A 25 10.946 6.801 2.851 1.00 0.00 N ATOM 318 NH2 ARG A 25 12.562 5.265 3.392 1.00 0.00 N ATOM 0 H ARG A 25 9.050 0.994 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 25 7.687 3.299 -0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.132 1.640 0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.336 2.903 0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.550 3.703 1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.542 2.891 2.396 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.417 5.362 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.704 5.409 2.446 1.00 0.00 H new ATOM 0 HE ARG A 25 10.982 3.621 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.034 7.022 2.450 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.527 7.545 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.896 4.301 3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.140 6.012 3.778 1.00 0.00 H new ATOM 332 N GLU A 26 10.572 3.930 -2.334 1.00 0.00 N ATOM 333 CA GLU A 26 11.387 4.975 -2.940 1.00 0.00 C ATOM 334 C GLU A 26 10.718 5.529 -4.195 1.00 0.00 C ATOM 335 O GLU A 26 10.848 6.712 -4.510 1.00 0.00 O ATOM 336 CB GLU A 26 12.776 4.433 -3.285 1.00 0.00 C ATOM 337 CG GLU A 26 12.750 3.289 -4.286 1.00 0.00 C ATOM 338 CD GLU A 26 14.125 2.972 -4.843 1.00 0.00 C ATOM 339 OE1 GLU A 26 14.500 3.573 -5.872 1.00 0.00 O ATOM 340 OE2 GLU A 26 14.824 2.123 -4.252 1.00 0.00 O ATOM 0 H GLU A 26 10.890 2.980 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 26 11.490 5.785 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.384 5.243 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.262 4.094 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.342 2.400 -3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.079 3.544 -5.107 1.00 0.00 H new ATOM 347 N ASP A 27 10.004 4.665 -4.907 1.00 0.00 N ATOM 348 CA ASP A 27 9.313 5.066 -6.127 1.00 0.00 C ATOM 349 C ASP A 27 8.153 6.006 -5.812 1.00 0.00 C ATOM 350 O ASP A 27 8.057 7.098 -6.370 1.00 0.00 O ATOM 351 CB ASP A 27 8.800 3.836 -6.876 1.00 0.00 C ATOM 352 CG ASP A 27 9.879 3.174 -7.712 1.00 0.00 C ATOM 353 OD1 ASP A 27 10.868 3.857 -8.052 1.00 0.00 O ATOM 354 OD2 ASP A 27 9.735 1.974 -8.027 1.00 0.00 O ATOM 0 H ASP A 27 9.888 3.682 -4.661 1.00 0.00 H new ATOM 0 HA ASP A 27 10.025 5.596 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.407 3.115 -6.159 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.972 4.127 -7.522 1.00 0.00 H new ATOM 359 N ALA A 28 7.274 5.571 -4.915 1.00 0.00 N ATOM 360 CA ALA A 28 6.122 6.373 -4.525 1.00 0.00 C ATOM 361 C ALA A 28 6.534 7.806 -4.201 1.00 0.00 C ATOM 362 O ALA A 28 5.957 8.760 -4.722 1.00 0.00 O ATOM 363 CB ALA A 28 5.418 5.742 -3.332 1.00 0.00 C ATOM 0 H ALA A 28 7.338 4.668 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 28 5.430 6.403 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.559 6.352 -3.052 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.080 4.740 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.110 5.681 -2.492 1.00 0.00 H new ATOM 369 N GLU A 29 7.534 7.948 -3.338 1.00 0.00 N ATOM 370 CA GLU A 29 8.021 9.265 -2.944 1.00 0.00 C ATOM 371 C GLU A 29 8.591 10.015 -4.144 1.00 0.00 C ATOM 372 O GLU A 29 8.383 11.219 -4.293 1.00 0.00 O ATOM 373 CB GLU A 29 9.089 9.134 -1.857 1.00 0.00 C ATOM 374 CG GLU A 29 8.524 8.821 -0.482 1.00 0.00 C ATOM 375 CD GLU A 29 9.385 9.366 0.641 1.00 0.00 C ATOM 376 OE1 GLU A 29 9.873 10.508 0.513 1.00 0.00 O ATOM 377 OE2 GLU A 29 9.573 8.650 1.646 1.00 0.00 O ATOM 0 H GLU A 29 8.023 7.168 -2.898 1.00 0.00 H new ATOM 0 HA GLU A 29 7.178 9.833 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.789 8.348 -2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.657 10.063 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.521 9.240 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.428 7.741 -0.370 1.00 0.00 H new ATOM 384 N ASN A 30 9.311 9.295 -4.998 1.00 0.00 N ATOM 385 CA ASN A 30 9.912 9.892 -6.185 1.00 0.00 C ATOM 386 C ASN A 30 8.839 10.322 -7.181 1.00 0.00 C ATOM 387 O ASN A 30 9.067 11.196 -8.018 1.00 0.00 O ATOM 388 CB ASN A 30 10.871 8.902 -6.849 1.00 0.00 C ATOM 389 CG ASN A 30 12.275 8.991 -6.284 1.00 0.00 C ATOM 390 OD1 ASN A 30 13.216 9.365 -6.986 1.00 0.00 O ATOM 391 ND2 ASN A 30 12.424 8.647 -5.010 1.00 0.00 N ATOM 0 H ASN A 30 9.492 8.297 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 30 10.469 10.776 -5.874 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.492 7.889 -6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.901 9.093 -7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.346 8.687 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.616 8.343 -4.466 1.00 0.00 H new ATOM 398 N LEU A 31 7.667 9.703 -7.083 1.00 0.00 N ATOM 399 CA LEU A 31 6.557 10.023 -7.974 1.00 0.00 C ATOM 400 C LEU A 31 5.857 11.305 -7.535 1.00 0.00 C ATOM 401 O LEU A 31 5.336 12.056 -8.361 1.00 0.00 O ATOM 402 CB LEU A 31 5.555 8.867 -8.007 1.00 0.00 C ATOM 403 CG LEU A 31 5.829 7.771 -9.038 1.00 0.00 C ATOM 404 CD1 LEU A 31 5.265 6.441 -8.564 1.00 0.00 C ATOM 405 CD2 LEU A 31 5.241 8.151 -10.388 1.00 0.00 C ATOM 0 H LEU A 31 7.461 8.977 -6.396 1.00 0.00 H new ATOM 0 HA LEU A 31 6.960 10.176 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.526 8.409 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.563 9.277 -8.197 1.00 0.00 H new ATOM 0 HG LEU A 31 6.908 7.665 -9.151 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.469 5.673 -9.310 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.733 6.163 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.188 6.532 -8.422 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.445 7.360 -11.110 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.164 8.284 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.692 9.082 -10.732 1.00 0.00 H new ATOM 417 N LEU A 32 5.849 11.551 -6.229 1.00 0.00 N ATOM 418 CA LEU A 32 5.216 12.744 -5.679 1.00 0.00 C ATOM 419 C LEU A 32 6.228 13.874 -5.521 1.00 0.00 C ATOM 420 O LEU A 32 5.863 15.049 -5.511 1.00 0.00 O ATOM 421 CB LEU A 32 4.572 12.427 -4.328 1.00 0.00 C ATOM 422 CG LEU A 32 3.612 11.239 -4.304 1.00 0.00 C ATOM 423 CD1 LEU A 32 3.347 10.794 -2.874 1.00 0.00 C ATOM 424 CD2 LEU A 32 2.308 11.592 -5.005 1.00 0.00 C ATOM 0 H LEU A 32 6.274 10.940 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 32 4.443 13.069 -6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.366 12.241 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.032 13.311 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 32 4.077 10.411 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.661 9.947 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.286 10.499 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.904 11.617 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.637 10.734 -4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.839 12.436 -4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.513 11.860 -6.041 1.00 0.00 H new ATOM 436 N GLU A 33 7.500 13.510 -5.400 1.00 0.00 N ATOM 437 CA GLU A 33 8.565 14.495 -5.244 1.00 0.00 C ATOM 438 C GLU A 33 8.530 15.518 -6.376 1.00 0.00 C ATOM 439 O GLU A 33 8.581 16.724 -6.138 1.00 0.00 O ATOM 440 CB GLU A 33 9.929 13.803 -5.208 1.00 0.00 C ATOM 441 CG GLU A 33 10.580 13.672 -6.576 1.00 0.00 C ATOM 442 CD GLU A 33 11.992 13.124 -6.498 1.00 0.00 C ATOM 443 OE1 GLU A 33 12.200 12.114 -5.794 1.00 0.00 O ATOM 444 OE2 GLU A 33 12.890 13.707 -7.143 1.00 0.00 O ATOM 0 H GLU A 33 7.819 12.541 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 33 8.406 15.018 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.594 14.363 -4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.812 12.810 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.974 13.017 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.599 14.648 -7.061 1.00 0.00 H new ATOM 451 N SER A 34 8.443 15.025 -7.607 1.00 0.00 N ATOM 452 CA SER A 34 8.405 15.896 -8.777 1.00 0.00 C ATOM 453 C SER A 34 7.008 16.473 -8.980 1.00 0.00 C ATOM 454 O SER A 34 6.762 17.206 -9.937 1.00 0.00 O ATOM 455 CB SER A 34 8.837 15.125 -10.026 1.00 0.00 C ATOM 456 OG SER A 34 10.153 14.617 -9.883 1.00 0.00 O ATOM 0 H SER A 34 8.398 14.029 -7.821 1.00 0.00 H new ATOM 0 HA SER A 34 9.098 16.720 -8.609 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.144 14.303 -10.207 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.789 15.780 -10.896 1.00 0.00 H new ATOM 0 HG SER A 34 10.404 14.127 -10.694 1.00 0.00 H new ATOM 462 N GLN A 35 6.097 16.136 -8.072 1.00 0.00 N ATOM 463 CA GLN A 35 4.725 16.621 -8.152 1.00 0.00 C ATOM 464 C GLN A 35 4.465 17.693 -7.099 1.00 0.00 C ATOM 465 O GLN A 35 5.091 17.724 -6.041 1.00 0.00 O ATOM 466 CB GLN A 35 3.741 15.463 -7.971 1.00 0.00 C ATOM 467 CG GLN A 35 3.871 14.384 -9.033 1.00 0.00 C ATOM 468 CD GLN A 35 3.420 14.854 -10.402 1.00 0.00 C ATOM 469 OE1 GLN A 35 2.644 15.803 -10.520 1.00 0.00 O ATOM 470 NE2 GLN A 35 3.905 14.191 -11.446 1.00 0.00 N ATOM 0 H GLN A 35 6.285 15.530 -7.274 1.00 0.00 H new ATOM 0 HA GLN A 35 4.579 17.062 -9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.896 15.016 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.724 15.855 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.910 14.058 -9.089 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.280 13.517 -8.738 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.546 13.411 -11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.637 14.462 -12.392 1.00 0.00 H new ATOM 479 N PRO A 36 3.518 18.596 -7.396 1.00 0.00 N ATOM 480 CA PRO A 36 3.153 19.688 -6.487 1.00 0.00 C ATOM 481 C PRO A 36 2.426 19.189 -5.244 1.00 0.00 C ATOM 482 O PRO A 36 1.843 18.103 -5.247 1.00 0.00 O ATOM 483 CB PRO A 36 2.224 20.560 -7.337 1.00 0.00 C ATOM 484 CG PRO A 36 1.654 19.630 -8.351 1.00 0.00 C ATOM 485 CD PRO A 36 2.731 18.622 -8.640 1.00 0.00 C ATOM 0 HA PRO A 36 4.029 20.215 -6.110 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.440 21.012 -6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.770 21.376 -7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.755 19.143 -7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.369 20.167 -9.256 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.313 17.642 -8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.340 18.918 -9.494 1.00 0.00 H new ATOM 493 N LEU A 37 2.461 19.986 -4.183 1.00 0.00 N ATOM 494 CA LEU A 37 1.804 19.625 -2.931 1.00 0.00 C ATOM 495 C LEU A 37 0.347 19.240 -3.172 1.00 0.00 C ATOM 496 O LEU A 37 -0.390 19.955 -3.851 1.00 0.00 O ATOM 497 CB LEU A 37 1.878 20.788 -1.940 1.00 0.00 C ATOM 498 CG LEU A 37 1.921 20.405 -0.460 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.606 19.770 -0.034 1.00 0.00 C ATOM 500 CD2 LEU A 37 3.084 19.462 -0.186 1.00 0.00 C ATOM 0 H LEU A 37 2.938 20.888 -4.164 1.00 0.00 H new ATOM 0 HA LEU A 37 2.324 18.764 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.766 21.378 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.015 21.434 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 37 2.069 21.312 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.656 19.504 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.208 20.478 -0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.427 18.873 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.099 19.200 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.967 18.557 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.020 19.953 -0.451 1.00 0.00 H new ATOM 512 N GLY A 38 -0.061 18.107 -2.610 1.00 0.00 N ATOM 513 CA GLY A 38 -1.427 17.647 -2.774 1.00 0.00 C ATOM 514 C GLY A 38 -1.519 16.381 -3.601 1.00 0.00 C ATOM 515 O GLY A 38 -2.399 15.550 -3.381 1.00 0.00 O ATOM 0 H GLY A 38 0.531 17.499 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.867 17.469 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.016 18.431 -3.250 1.00 0.00 H new ATOM 519 N SER A 39 -0.607 16.234 -4.557 1.00 0.00 N ATOM 520 CA SER A 39 -0.591 15.062 -5.425 1.00 0.00 C ATOM 521 C SER A 39 -0.632 13.777 -4.603 1.00 0.00 C ATOM 522 O SER A 39 0.260 13.514 -3.795 1.00 0.00 O ATOM 523 CB SER A 39 0.654 15.074 -6.312 1.00 0.00 C ATOM 524 OG SER A 39 0.876 16.361 -6.863 1.00 0.00 O ATOM 0 H SER A 39 0.130 16.912 -4.750 1.00 0.00 H new ATOM 0 HA SER A 39 -1.478 15.097 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.523 14.770 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.539 14.346 -7.115 1.00 0.00 H new ATOM 0 HG SER A 39 1.504 16.856 -6.296 1.00 0.00 H new ATOM 530 N PHE A 40 -1.674 12.980 -4.815 1.00 0.00 N ATOM 531 CA PHE A 40 -1.832 11.722 -4.093 1.00 0.00 C ATOM 532 C PHE A 40 -1.675 10.531 -5.035 1.00 0.00 C ATOM 533 O PHE A 40 -1.825 10.662 -6.250 1.00 0.00 O ATOM 534 CB PHE A 40 -3.201 11.670 -3.411 1.00 0.00 C ATOM 535 CG PHE A 40 -4.337 11.435 -4.365 1.00 0.00 C ATOM 536 CD1 PHE A 40 -4.907 12.491 -5.057 1.00 0.00 C ATOM 537 CD2 PHE A 40 -4.836 10.159 -4.569 1.00 0.00 C ATOM 538 CE1 PHE A 40 -5.953 12.278 -5.934 1.00 0.00 C ATOM 539 CE2 PHE A 40 -5.881 9.939 -5.446 1.00 0.00 C ATOM 540 CZ PHE A 40 -6.441 11.001 -6.130 1.00 0.00 C ATOM 0 H PHE A 40 -2.421 13.182 -5.480 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.052 11.667 -3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.195 10.877 -2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.370 12.607 -2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.529 13.492 -4.909 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.403 9.326 -4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.389 13.110 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.259 8.939 -5.597 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.258 10.833 -6.816 1.00 0.00 H new ATOM 550 N LEU A 41 -1.372 9.370 -4.465 1.00 0.00 N ATOM 551 CA LEU A 41 -1.193 8.155 -5.252 1.00 0.00 C ATOM 552 C LEU A 41 -1.291 6.915 -4.369 1.00 0.00 C ATOM 553 O LEU A 41 -0.739 6.879 -3.269 1.00 0.00 O ATOM 554 CB LEU A 41 0.159 8.180 -5.966 1.00 0.00 C ATOM 555 CG LEU A 41 1.329 7.547 -5.212 1.00 0.00 C ATOM 556 CD1 LEU A 41 1.447 8.140 -3.816 1.00 0.00 C ATOM 557 CD2 LEU A 41 1.161 6.037 -5.139 1.00 0.00 C ATOM 0 H LEU A 41 -1.245 9.244 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.989 8.113 -5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.051 7.670 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.413 9.217 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 41 2.248 7.765 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.285 7.678 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.614 9.215 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.527 7.953 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.003 5.603 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.234 5.799 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.126 5.626 -6.148 1.00 0.00 H new ATOM 569 N ILE A 42 -1.996 5.901 -4.860 1.00 0.00 N ATOM 570 CA ILE A 42 -2.164 4.658 -4.116 1.00 0.00 C ATOM 571 C ILE A 42 -1.330 3.536 -4.726 1.00 0.00 C ATOM 572 O ILE A 42 -1.069 3.527 -5.929 1.00 0.00 O ATOM 573 CB ILE A 42 -3.639 4.221 -4.075 1.00 0.00 C ATOM 574 CG1 ILE A 42 -4.485 5.272 -3.354 1.00 0.00 C ATOM 575 CG2 ILE A 42 -3.773 2.867 -3.394 1.00 0.00 C ATOM 576 CD1 ILE A 42 -5.942 4.889 -3.222 1.00 0.00 C ATOM 0 H ILE A 42 -2.460 5.915 -5.768 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.823 4.851 -3.099 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.003 4.128 -5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.071 5.440 -2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.414 6.216 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.822 2.572 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.198 2.124 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.395 2.934 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.481 5.681 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -6.373 4.749 -4.213 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.024 3.961 -2.656 1.00 0.00 H new ATOM 588 N ARG A 43 -0.916 2.591 -3.888 1.00 0.00 N ATOM 589 CA ARG A 43 -0.112 1.464 -4.345 1.00 0.00 C ATOM 590 C ARG A 43 -0.589 0.162 -3.707 1.00 0.00 C ATOM 591 O ARG A 43 -1.448 0.169 -2.825 1.00 0.00 O ATOM 592 CB ARG A 43 1.364 1.695 -4.015 1.00 0.00 C ATOM 593 CG ARG A 43 1.753 3.163 -3.965 1.00 0.00 C ATOM 594 CD ARG A 43 3.094 3.361 -3.274 1.00 0.00 C ATOM 595 NE ARG A 43 3.083 2.855 -1.904 1.00 0.00 N ATOM 596 CZ ARG A 43 4.175 2.459 -1.257 1.00 0.00 C ATOM 597 NH1 ARG A 43 5.357 2.510 -1.855 1.00 0.00 N ATOM 598 NH2 ARG A 43 4.084 2.010 -0.012 1.00 0.00 N ATOM 0 H ARG A 43 -1.124 2.584 -2.889 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.227 1.383 -5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.589 1.235 -3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.978 1.190 -4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.802 3.562 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.984 3.727 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.873 2.853 -3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.345 4.422 -3.267 1.00 0.00 H new ATOM 0 HE ARG A 43 2.188 2.803 -1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.430 2.853 -2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.194 2.206 -1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.176 1.968 0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.922 1.706 0.483 1.00 0.00 H new ATOM 612 N VAL A 44 -0.026 -0.953 -4.159 1.00 0.00 N ATOM 613 CA VAL A 44 -0.393 -2.263 -3.632 1.00 0.00 C ATOM 614 C VAL A 44 0.490 -2.647 -2.450 1.00 0.00 C ATOM 615 O VAL A 44 1.690 -2.872 -2.606 1.00 0.00 O ATOM 616 CB VAL A 44 -0.285 -3.353 -4.715 1.00 0.00 C ATOM 617 CG1 VAL A 44 -0.808 -4.682 -4.189 1.00 0.00 C ATOM 618 CG2 VAL A 44 -1.037 -2.935 -5.969 1.00 0.00 C ATOM 0 H VAL A 44 0.686 -0.976 -4.889 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.429 -2.192 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 44 0.766 -3.479 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.724 -5.440 -4.968 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.222 -4.986 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.853 -4.573 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.950 -3.717 -6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.088 -2.779 -5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.612 -2.009 -6.356 1.00 0.00 H new ATOM 628 N SER A 45 -0.113 -2.719 -1.268 1.00 0.00 N ATOM 629 CA SER A 45 0.619 -3.073 -0.057 1.00 0.00 C ATOM 630 C SER A 45 0.956 -4.561 -0.041 1.00 0.00 C ATOM 631 O SER A 45 0.065 -5.412 -0.059 1.00 0.00 O ATOM 632 CB SER A 45 -0.200 -2.711 1.183 1.00 0.00 C ATOM 633 OG SER A 45 0.644 -2.386 2.275 1.00 0.00 O ATOM 0 H SER A 45 -1.106 -2.537 -1.123 1.00 0.00 H new ATOM 0 HA SER A 45 1.551 -2.507 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.851 -1.866 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.845 -3.547 1.454 1.00 0.00 H new ATOM 0 HG SER A 45 0.315 -2.828 3.086 1.00 0.00 H new ATOM 639 N HIS A 46 2.249 -4.868 -0.007 1.00 0.00 N ATOM 640 CA HIS A 46 2.706 -6.253 0.012 1.00 0.00 C ATOM 641 C HIS A 46 2.595 -6.843 1.415 1.00 0.00 C ATOM 642 O HIS A 46 2.117 -7.963 1.592 1.00 0.00 O ATOM 643 CB HIS A 46 4.151 -6.343 -0.479 1.00 0.00 C ATOM 644 CG HIS A 46 4.323 -5.941 -1.911 1.00 0.00 C ATOM 645 ND1 HIS A 46 4.694 -4.670 -2.298 1.00 0.00 N ATOM 646 CD2 HIS A 46 4.173 -6.651 -3.055 1.00 0.00 C ATOM 647 CE1 HIS A 46 4.764 -4.615 -3.616 1.00 0.00 C ATOM 648 NE2 HIS A 46 4.454 -5.805 -4.099 1.00 0.00 N ATOM 0 H HIS A 46 2.999 -4.176 0.008 1.00 0.00 H new ATOM 0 HA HIS A 46 2.067 -6.829 -0.657 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.779 -5.708 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.506 -7.366 -0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.886 -7.689 -3.131 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.029 -3.746 -4.199 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.428 -6.055 -5.088 1.00 0.00 H new ATOM 656 N SER A 47 3.040 -6.080 2.409 1.00 0.00 N ATOM 657 CA SER A 47 2.996 -6.529 3.795 1.00 0.00 C ATOM 658 C SER A 47 1.613 -7.069 4.146 1.00 0.00 C ATOM 659 O SER A 47 1.486 -8.112 4.791 1.00 0.00 O ATOM 660 CB SER A 47 3.361 -5.380 4.737 1.00 0.00 C ATOM 661 OG SER A 47 3.186 -5.756 6.092 1.00 0.00 O ATOM 0 H SER A 47 3.435 -5.148 2.280 1.00 0.00 H new ATOM 0 HA SER A 47 3.723 -7.332 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.396 -5.083 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.741 -4.512 4.514 1.00 0.00 H new ATOM 0 HG SER A 47 3.427 -5.005 6.674 1.00 0.00 H new ATOM 667 N HIS A 48 0.578 -6.352 3.719 1.00 0.00 N ATOM 668 CA HIS A 48 -0.797 -6.760 3.988 1.00 0.00 C ATOM 669 C HIS A 48 -1.685 -6.510 2.773 1.00 0.00 C ATOM 670 O HIS A 48 -1.734 -5.400 2.244 1.00 0.00 O ATOM 671 CB HIS A 48 -1.347 -6.006 5.199 1.00 0.00 C ATOM 672 CG HIS A 48 -1.930 -4.668 4.858 1.00 0.00 C ATOM 673 ND1 HIS A 48 -1.161 -3.578 4.513 1.00 0.00 N ATOM 674 CD2 HIS A 48 -3.217 -4.251 4.809 1.00 0.00 C ATOM 675 CE1 HIS A 48 -1.949 -2.546 4.268 1.00 0.00 C ATOM 676 NE2 HIS A 48 -3.201 -2.928 4.440 1.00 0.00 N ATOM 0 H HIS A 48 0.665 -5.487 3.186 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.797 -7.829 4.203 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.113 -6.615 5.679 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.546 -5.870 5.926 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -4.092 -4.847 5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -1.624 -1.558 3.977 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.023 -2.337 4.319 1.00 0.00 H new ATOM 684 N VAL A 49 -2.384 -7.551 2.334 1.00 0.00 N ATOM 685 CA VAL A 49 -3.270 -7.446 1.180 1.00 0.00 C ATOM 686 C VAL A 49 -4.204 -6.248 1.313 1.00 0.00 C ATOM 687 O VAL A 49 -5.095 -6.233 2.160 1.00 0.00 O ATOM 688 CB VAL A 49 -4.114 -8.722 1.001 1.00 0.00 C ATOM 689 CG1 VAL A 49 -4.850 -9.061 2.289 1.00 0.00 C ATOM 690 CG2 VAL A 49 -5.089 -8.558 -0.154 1.00 0.00 C ATOM 0 H VAL A 49 -2.354 -8.477 2.760 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.635 -7.314 0.304 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.445 -9.550 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.441 -9.965 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.128 -9.225 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.510 -8.236 2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.677 -9.469 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.755 -7.719 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.535 -8.368 -1.073 1.00 0.00 H new ATOM 700 N GLY A 50 -3.993 -5.243 0.467 1.00 0.00 N ATOM 701 CA GLY A 50 -4.824 -4.054 0.506 1.00 0.00 C ATOM 702 C GLY A 50 -4.285 -2.942 -0.373 1.00 0.00 C ATOM 703 O GLY A 50 -4.011 -3.154 -1.554 1.00 0.00 O ATOM 0 H GLY A 50 -3.262 -5.232 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.834 -4.309 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.896 -3.698 1.534 1.00 0.00 H new ATOM 707 N TYR A 51 -4.136 -1.755 0.203 1.00 0.00 N ATOM 708 CA TYR A 51 -3.631 -0.605 -0.537 1.00 0.00 C ATOM 709 C TYR A 51 -2.970 0.400 0.402 1.00 0.00 C ATOM 710 O TYR A 51 -3.167 0.355 1.617 1.00 0.00 O ATOM 711 CB TYR A 51 -4.767 0.071 -1.307 1.00 0.00 C ATOM 712 CG TYR A 51 -5.394 -0.813 -2.362 1.00 0.00 C ATOM 713 CD1 TYR A 51 -4.680 -1.194 -3.490 1.00 0.00 C ATOM 714 CD2 TYR A 51 -6.700 -1.269 -2.227 1.00 0.00 C ATOM 715 CE1 TYR A 51 -5.249 -2.001 -4.457 1.00 0.00 C ATOM 716 CE2 TYR A 51 -7.277 -2.078 -3.188 1.00 0.00 C ATOM 717 CZ TYR A 51 -6.547 -2.440 -4.301 1.00 0.00 C ATOM 718 OH TYR A 51 -7.117 -3.246 -5.260 1.00 0.00 O ATOM 0 H TYR A 51 -4.358 -1.564 1.180 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.882 -0.961 -1.245 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.537 0.383 -0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.385 0.975 -1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.662 -0.854 -3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.274 -0.987 -1.357 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.680 -2.286 -5.330 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.293 -2.424 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.035 -3.467 -4.998 1.00 0.00 H new ATOM 728 N THR A 52 -2.185 1.307 -0.170 1.00 0.00 N ATOM 729 CA THR A 52 -1.495 2.324 0.613 1.00 0.00 C ATOM 730 C THR A 52 -1.735 3.717 0.042 1.00 0.00 C ATOM 731 O THR A 52 -1.262 4.041 -1.048 1.00 0.00 O ATOM 732 CB THR A 52 0.022 2.058 0.666 1.00 0.00 C ATOM 733 OG1 THR A 52 0.271 0.752 1.197 1.00 0.00 O ATOM 734 CG2 THR A 52 0.725 3.102 1.521 1.00 0.00 C ATOM 0 H THR A 52 -2.011 1.358 -1.174 1.00 0.00 H new ATOM 0 HA THR A 52 -1.902 2.274 1.623 1.00 0.00 H new ATOM 0 HB THR A 52 0.416 2.118 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.237 0.589 1.226 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.795 2.894 1.544 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.557 4.092 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.328 3.069 2.535 1.00 0.00 H new ATOM 742 N LEU A 53 -2.471 4.536 0.784 1.00 0.00 N ATOM 743 CA LEU A 53 -2.775 5.896 0.351 1.00 0.00 C ATOM 744 C LEU A 53 -1.653 6.854 0.742 1.00 0.00 C ATOM 745 O LEU A 53 -1.252 6.914 1.903 1.00 0.00 O ATOM 746 CB LEU A 53 -4.096 6.364 0.961 1.00 0.00 C ATOM 747 CG LEU A 53 -4.523 7.793 0.624 1.00 0.00 C ATOM 748 CD1 LEU A 53 -3.701 8.797 1.420 1.00 0.00 C ATOM 749 CD2 LEU A 53 -4.385 8.053 -0.869 1.00 0.00 C ATOM 0 H LEU A 53 -2.869 4.283 1.688 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.865 5.894 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.884 5.685 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.025 6.274 2.045 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.571 7.913 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.018 9.809 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.850 8.625 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.645 8.677 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.693 9.075 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.346 7.915 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.017 7.356 -1.420 1.00 0.00 H new ATOM 761 N SER A 54 -1.154 7.602 -0.237 1.00 0.00 N ATOM 762 CA SER A 54 -0.078 8.556 0.004 1.00 0.00 C ATOM 763 C SER A 54 -0.291 9.831 -0.807 1.00 0.00 C ATOM 764 O SER A 54 -1.016 9.833 -1.802 1.00 0.00 O ATOM 765 CB SER A 54 1.273 7.933 -0.349 1.00 0.00 C ATOM 766 OG SER A 54 1.823 7.244 0.760 1.00 0.00 O ATOM 0 H SER A 54 -1.477 7.566 -1.204 1.00 0.00 H new ATOM 0 HA SER A 54 -0.085 8.814 1.063 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.152 7.244 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.962 8.712 -0.675 1.00 0.00 H new ATOM 0 HG SER A 54 2.582 6.700 0.463 1.00 0.00 H new ATOM 772 N TYR A 55 0.346 10.914 -0.374 1.00 0.00 N ATOM 773 CA TYR A 55 0.225 12.196 -1.058 1.00 0.00 C ATOM 774 C TYR A 55 1.199 13.216 -0.476 1.00 0.00 C ATOM 775 O TYR A 55 1.511 13.187 0.714 1.00 0.00 O ATOM 776 CB TYR A 55 -1.207 12.722 -0.950 1.00 0.00 C ATOM 777 CG TYR A 55 -1.668 12.937 0.474 1.00 0.00 C ATOM 778 CD1 TYR A 55 -1.260 14.051 1.197 1.00 0.00 C ATOM 779 CD2 TYR A 55 -2.512 12.026 1.096 1.00 0.00 C ATOM 780 CE1 TYR A 55 -1.677 14.251 2.498 1.00 0.00 C ATOM 781 CE2 TYR A 55 -2.937 12.218 2.397 1.00 0.00 C ATOM 782 CZ TYR A 55 -2.516 13.332 3.094 1.00 0.00 C ATOM 783 OH TYR A 55 -2.936 13.528 4.389 1.00 0.00 O ATOM 0 H TYR A 55 0.951 10.929 0.447 1.00 0.00 H new ATOM 0 HA TYR A 55 0.470 12.044 -2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.281 13.664 -1.493 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.881 12.019 -1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -0.605 14.774 0.733 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.842 11.152 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.348 15.122 3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.595 11.501 2.865 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.654 14.195 4.403 1.00 0.00 H new ATOM 793 N LYS A 56 1.676 14.120 -1.325 1.00 0.00 N ATOM 794 CA LYS A 56 2.613 15.152 -0.900 1.00 0.00 C ATOM 795 C LYS A 56 1.983 16.056 0.156 1.00 0.00 C ATOM 796 O LYS A 56 0.900 16.604 -0.048 1.00 0.00 O ATOM 797 CB LYS A 56 3.062 15.989 -2.099 1.00 0.00 C ATOM 798 CG LYS A 56 4.414 16.655 -1.904 1.00 0.00 C ATOM 799 CD LYS A 56 5.551 15.754 -2.357 1.00 0.00 C ATOM 800 CE LYS A 56 6.828 16.033 -1.580 1.00 0.00 C ATOM 801 NZ LYS A 56 6.864 15.292 -0.289 1.00 0.00 N ATOM 0 H LYS A 56 1.428 14.158 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 56 3.482 14.660 -0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.105 15.351 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.313 16.756 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.444 17.590 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.547 16.909 -0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.264 14.711 -2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.732 15.903 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.690 15.751 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.910 17.103 -1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.750 15.509 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.056 15.579 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.812 14.270 -0.474 1.00 0.00 H new ATOM 815 N ALA A 57 2.670 16.209 1.284 1.00 0.00 N ATOM 816 CA ALA A 57 2.179 17.049 2.369 1.00 0.00 C ATOM 817 C ALA A 57 3.102 18.240 2.602 1.00 0.00 C ATOM 818 O ALA A 57 4.314 18.143 2.411 1.00 0.00 O ATOM 819 CB ALA A 57 2.035 16.231 3.645 1.00 0.00 C ATOM 0 H ALA A 57 3.568 15.762 1.470 1.00 0.00 H new ATOM 0 HA ALA A 57 1.200 17.433 2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.667 16.870 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.330 15.417 3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.005 15.819 3.925 1.00 0.00 H new ATOM 825 N GLN A 58 2.522 19.361 3.016 1.00 0.00 N ATOM 826 CA GLN A 58 3.294 20.571 3.273 1.00 0.00 C ATOM 827 C GLN A 58 4.548 20.255 4.083 1.00 0.00 C ATOM 828 O GLN A 58 5.601 20.856 3.874 1.00 0.00 O ATOM 829 CB GLN A 58 2.439 21.599 4.017 1.00 0.00 C ATOM 830 CG GLN A 58 1.674 22.535 3.094 1.00 0.00 C ATOM 831 CD GLN A 58 2.573 23.556 2.425 1.00 0.00 C ATOM 832 OE1 GLN A 58 3.692 23.805 2.875 1.00 0.00 O ATOM 833 NE2 GLN A 58 2.087 24.154 1.343 1.00 0.00 N ATOM 0 H GLN A 58 1.520 19.457 3.181 1.00 0.00 H new ATOM 0 HA GLN A 58 3.598 20.988 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.730 21.075 4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.082 22.190 4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.164 21.949 2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.904 23.053 3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.154 23.917 1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.647 24.850 0.850 1.00 0.00 H new ATOM 842 N SER A 59 4.426 19.307 5.007 1.00 0.00 N ATOM 843 CA SER A 59 5.548 18.914 5.851 1.00 0.00 C ATOM 844 C SER A 59 6.430 17.893 5.140 1.00 0.00 C ATOM 845 O SER A 59 7.584 18.172 4.815 1.00 0.00 O ATOM 846 CB SER A 59 5.040 18.334 7.173 1.00 0.00 C ATOM 847 OG SER A 59 4.438 19.337 7.972 1.00 0.00 O ATOM 0 H SER A 59 3.562 18.797 5.190 1.00 0.00 H new ATOM 0 HA SER A 59 6.145 19.802 6.058 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.318 17.542 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.868 17.880 7.717 1.00 0.00 H new ATOM 0 HG SER A 59 4.120 18.941 8.810 1.00 0.00 H new ATOM 853 N SER A 60 5.879 16.708 4.900 1.00 0.00 N ATOM 854 CA SER A 60 6.615 15.642 4.231 1.00 0.00 C ATOM 855 C SER A 60 5.670 14.543 3.755 1.00 0.00 C ATOM 856 O SER A 60 4.581 14.366 4.303 1.00 0.00 O ATOM 857 CB SER A 60 7.668 15.052 5.172 1.00 0.00 C ATOM 858 OG SER A 60 8.821 15.873 5.225 1.00 0.00 O ATOM 0 H SER A 60 4.924 16.462 5.159 1.00 0.00 H new ATOM 0 HA SER A 60 7.113 16.070 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.248 14.945 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.944 14.053 4.834 1.00 0.00 H new ATOM 0 HG SER A 60 8.620 16.746 4.827 1.00 0.00 H new ATOM 864 N CYS A 61 6.094 13.809 2.732 1.00 0.00 N ATOM 865 CA CYS A 61 5.285 12.728 2.180 1.00 0.00 C ATOM 866 C CYS A 61 4.672 11.885 3.294 1.00 0.00 C ATOM 867 O CYS A 61 5.303 11.646 4.325 1.00 0.00 O ATOM 868 CB CYS A 61 6.133 11.845 1.265 1.00 0.00 C ATOM 869 SG CYS A 61 5.182 10.947 0.016 1.00 0.00 S ATOM 0 H CYS A 61 6.993 13.943 2.268 1.00 0.00 H new ATOM 0 HA CYS A 61 4.477 13.172 1.598 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.875 12.467 0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.680 11.127 1.876 1.00 0.00 H new ATOM 0 HG CYS A 61 5.107 9.692 0.347 1.00 0.00 H new ATOM 875 N CYS A 62 3.439 11.439 3.080 1.00 0.00 N ATOM 876 CA CYS A 62 2.739 10.625 4.067 1.00 0.00 C ATOM 877 C CYS A 62 2.404 9.250 3.499 1.00 0.00 C ATOM 878 O CYS A 62 2.424 9.081 2.281 1.00 0.00 O ATOM 879 CB CYS A 62 1.458 11.326 4.522 1.00 0.00 C ATOM 880 SG CYS A 62 0.671 12.330 3.240 1.00 0.00 S ATOM 0 H CYS A 62 2.904 11.627 2.232 1.00 0.00 H new ATOM 0 HA CYS A 62 3.398 10.494 4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.748 10.574 4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.689 11.962 5.376 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.480 12.756 3.668 1.00 0.00 H new ATOM 886 N HIS A 63 2.110 8.308 4.382 1.00 0.00 N ATOM 887 CA HIS A 63 1.778 6.959 3.955 1.00 0.00 C ATOM 888 C HIS A 63 0.773 6.345 4.933 1.00 0.00 C ATOM 889 O HIS A 63 1.091 6.017 6.076 1.00 0.00 O ATOM 890 CB HIS A 63 3.042 6.113 3.796 1.00 0.00 C ATOM 891 CG HIS A 63 4.010 6.644 2.766 1.00 0.00 C ATOM 892 ND1 HIS A 63 4.094 6.136 1.482 1.00 0.00 N ATOM 893 CD2 HIS A 63 4.935 7.644 2.845 1.00 0.00 C ATOM 894 CE1 HIS A 63 5.029 6.807 0.826 1.00 0.00 C ATOM 895 NE2 HIS A 63 5.549 7.740 1.673 1.00 0.00 N ATOM 0 H HIS A 63 2.095 8.452 5.392 1.00 0.00 H new ATOM 0 HA HIS A 63 1.306 6.990 2.973 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.549 6.051 4.759 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.755 5.098 3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.134 8.254 3.714 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.327 6.644 -0.199 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.289 8.403 1.443 1.00 0.00 H new ATOM 903 N PHE A 64 -0.457 6.195 4.453 1.00 0.00 N ATOM 904 CA PHE A 64 -1.529 5.625 5.261 1.00 0.00 C ATOM 905 C PHE A 64 -1.925 4.245 4.743 1.00 0.00 C ATOM 906 O PHE A 64 -2.262 4.083 3.571 1.00 0.00 O ATOM 907 CB PHE A 64 -2.747 6.551 5.259 1.00 0.00 C ATOM 908 CG PHE A 64 -2.401 7.995 5.489 1.00 0.00 C ATOM 909 CD1 PHE A 64 -1.945 8.786 4.447 1.00 0.00 C ATOM 910 CD2 PHE A 64 -2.533 8.560 6.747 1.00 0.00 C ATOM 911 CE1 PHE A 64 -1.627 10.115 4.656 1.00 0.00 C ATOM 912 CE2 PHE A 64 -2.216 9.889 6.961 1.00 0.00 C ATOM 913 CZ PHE A 64 -1.762 10.666 5.914 1.00 0.00 C ATOM 0 H PHE A 64 -0.736 6.460 3.509 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.163 5.520 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.264 6.457 4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.443 6.225 6.032 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.837 8.360 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.887 7.956 7.569 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.273 10.722 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.323 10.319 7.946 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.513 11.704 6.079 1.00 0.00 H new ATOM 923 N MET A 65 -1.882 3.253 5.628 1.00 0.00 N ATOM 924 CA MET A 65 -2.236 1.887 5.260 1.00 0.00 C ATOM 925 C MET A 65 -3.747 1.738 5.112 1.00 0.00 C ATOM 926 O MET A 65 -4.518 2.410 5.799 1.00 0.00 O ATOM 927 CB MET A 65 -1.716 0.903 6.310 1.00 0.00 C ATOM 928 CG MET A 65 -2.547 0.876 7.583 1.00 0.00 C ATOM 929 SD MET A 65 -2.247 -0.597 8.577 1.00 0.00 S ATOM 930 CE MET A 65 -3.192 -1.819 7.668 1.00 0.00 C ATOM 0 H MET A 65 -1.606 3.370 6.603 1.00 0.00 H new ATOM 0 HA MET A 65 -1.771 1.664 4.300 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.694 -0.098 5.879 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.688 1.163 6.562 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.323 1.762 8.177 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.604 0.925 7.323 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.758 -2.435 8.367 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.880 -1.315 6.989 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.514 -2.451 7.095 1.00 0.00 H new ATOM 940 N VAL A 66 -4.166 0.855 4.211 1.00 0.00 N ATOM 941 CA VAL A 66 -5.585 0.619 3.974 1.00 0.00 C ATOM 942 C VAL A 66 -5.902 -0.872 3.985 1.00 0.00 C ATOM 943 O VAL A 66 -5.419 -1.628 3.141 1.00 0.00 O ATOM 944 CB VAL A 66 -6.035 1.219 2.629 1.00 0.00 C ATOM 945 CG1 VAL A 66 -7.521 0.976 2.408 1.00 0.00 C ATOM 946 CG2 VAL A 66 -5.716 2.705 2.575 1.00 0.00 C ATOM 0 H VAL A 66 -3.543 0.291 3.633 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.128 1.109 4.782 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.486 0.724 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.822 1.407 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.717 -0.096 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.090 1.443 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.041 3.112 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.237 3.219 3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.641 2.851 2.685 1.00 0.00 H new ATOM 956 N LYS A 67 -6.718 -1.290 4.946 1.00 0.00 N ATOM 957 CA LYS A 67 -7.104 -2.691 5.068 1.00 0.00 C ATOM 958 C LYS A 67 -8.280 -3.013 4.151 1.00 0.00 C ATOM 959 O LYS A 67 -8.988 -2.115 3.695 1.00 0.00 O ATOM 960 CB LYS A 67 -7.470 -3.017 6.518 1.00 0.00 C ATOM 961 CG LYS A 67 -6.415 -2.586 7.522 1.00 0.00 C ATOM 962 CD LYS A 67 -6.957 -2.600 8.941 1.00 0.00 C ATOM 963 CE LYS A 67 -8.219 -1.758 9.064 1.00 0.00 C ATOM 964 NZ LYS A 67 -9.448 -2.559 8.809 1.00 0.00 N ATOM 0 H LYS A 67 -7.126 -0.678 5.653 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.254 -3.303 4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.414 -2.531 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.631 -4.091 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.554 -3.251 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.065 -1.584 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.172 -3.626 9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.198 -2.222 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.270 -1.323 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.173 -0.929 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.980 -2.137 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.182 -3.534 8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.041 -2.566 9.663 1.00 0.00 H new ATOM 978 N LEU A 68 -8.483 -4.299 3.888 1.00 0.00 N ATOM 979 CA LEU A 68 -9.576 -4.740 3.027 1.00 0.00 C ATOM 980 C LEU A 68 -10.627 -5.502 3.828 1.00 0.00 C ATOM 981 O LEU A 68 -10.589 -6.730 3.913 1.00 0.00 O ATOM 982 CB LEU A 68 -9.038 -5.624 1.900 1.00 0.00 C ATOM 983 CG LEU A 68 -9.904 -5.708 0.641 1.00 0.00 C ATOM 984 CD1 LEU A 68 -9.526 -6.926 -0.186 1.00 0.00 C ATOM 985 CD2 LEU A 68 -11.379 -5.749 1.012 1.00 0.00 C ATOM 0 H LEU A 68 -7.906 -5.054 4.258 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.045 -3.856 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.053 -5.255 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.901 -6.632 2.290 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.726 -4.817 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.152 -6.969 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.479 -6.855 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.675 -7.829 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.981 -5.809 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.573 -6.622 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.641 -4.845 1.562 1.00 0.00 H new ATOM 997 N LEU A 69 -11.567 -4.766 4.411 1.00 0.00 N ATOM 998 CA LEU A 69 -12.631 -5.372 5.204 1.00 0.00 C ATOM 999 C LEU A 69 -13.202 -6.599 4.500 1.00 0.00 C ATOM 1000 O LEU A 69 -13.026 -6.775 3.294 1.00 0.00 O ATOM 1001 CB LEU A 69 -13.744 -4.354 5.462 1.00 0.00 C ATOM 1002 CG LEU A 69 -13.341 -3.105 6.245 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -12.367 -3.462 7.357 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -12.734 -2.065 5.316 1.00 0.00 C ATOM 0 H LEU A 69 -11.614 -3.749 4.350 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.207 -5.687 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -14.152 -4.040 4.501 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.548 -4.854 6.002 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.237 -2.680 6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.092 -2.560 7.903 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.837 -4.170 8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.473 -3.913 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.453 -1.183 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.849 -2.480 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.464 -1.785 4.556 1.00 0.00 H new ATOM 1016 N ASP A 70 -13.889 -7.444 5.261 1.00 0.00 N ATOM 1017 CA ASP A 70 -14.489 -8.653 4.710 1.00 0.00 C ATOM 1018 C ASP A 70 -15.737 -8.320 3.899 1.00 0.00 C ATOM 1019 O ASP A 70 -16.174 -9.109 3.061 1.00 0.00 O ATOM 1020 CB ASP A 70 -14.842 -9.630 5.834 1.00 0.00 C ATOM 1021 CG ASP A 70 -15.445 -10.919 5.312 1.00 0.00 C ATOM 1022 OD1 ASP A 70 -16.614 -10.894 4.873 1.00 0.00 O ATOM 1023 OD2 ASP A 70 -14.747 -11.955 5.341 1.00 0.00 O ATOM 0 H ASP A 70 -14.044 -7.314 6.261 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.761 -9.120 4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.944 -9.859 6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.545 -9.154 6.518 1.00 0.00 H new ATOM 1028 N ASP A 71 -16.306 -7.147 4.154 1.00 0.00 N ATOM 1029 CA ASP A 71 -17.504 -6.708 3.447 1.00 0.00 C ATOM 1030 C ASP A 71 -17.155 -6.194 2.054 1.00 0.00 C ATOM 1031 O ASP A 71 -18.011 -5.670 1.343 1.00 0.00 O ATOM 1032 CB ASP A 71 -18.221 -5.617 4.243 1.00 0.00 C ATOM 1033 CG ASP A 71 -19.142 -6.185 5.304 1.00 0.00 C ATOM 1034 OD1 ASP A 71 -20.276 -6.578 4.958 1.00 0.00 O ATOM 1035 OD2 ASP A 71 -18.730 -6.236 6.483 1.00 0.00 O ATOM 0 H ASP A 71 -15.957 -6.483 4.845 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.169 -7.565 3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.481 -4.971 4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.799 -4.994 3.561 1.00 0.00 H new ATOM 1040 N GLY A 72 -15.891 -6.345 1.671 1.00 0.00 N ATOM 1041 CA GLY A 72 -15.450 -5.889 0.366 1.00 0.00 C ATOM 1042 C GLY A 72 -15.255 -4.387 0.313 1.00 0.00 C ATOM 1043 O GLY A 72 -15.236 -3.794 -0.766 1.00 0.00 O ATOM 0 H GLY A 72 -15.164 -6.776 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.513 -6.383 0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.182 -6.184 -0.385 1.00 0.00 H new ATOM 1047 N THR A 73 -15.110 -3.768 1.480 1.00 0.00 N ATOM 1048 CA THR A 73 -14.917 -2.326 1.562 1.00 0.00 C ATOM 1049 C THR A 73 -13.486 -1.984 1.956 1.00 0.00 C ATOM 1050 O THR A 73 -12.647 -2.870 2.120 1.00 0.00 O ATOM 1051 CB THR A 73 -15.884 -1.687 2.578 1.00 0.00 C ATOM 1052 OG1 THR A 73 -15.665 -2.244 3.879 1.00 0.00 O ATOM 1053 CG2 THR A 73 -17.330 -1.909 2.162 1.00 0.00 C ATOM 0 H THR A 73 -15.123 -4.243 2.382 1.00 0.00 H new ATOM 0 HA THR A 73 -15.124 -1.923 0.571 1.00 0.00 H new ATOM 0 HB THR A 73 -15.692 -0.614 2.605 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.282 -1.832 4.519 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.994 -1.449 2.894 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.501 -1.459 1.184 1.00 0.00 H new ATOM 0 HG23 THR A 73 -17.533 -2.979 2.109 1.00 0.00 H new ATOM 1061 N PHE A 74 -13.210 -0.693 2.107 1.00 0.00 N ATOM 1062 CA PHE A 74 -11.878 -0.233 2.482 1.00 0.00 C ATOM 1063 C PHE A 74 -11.961 0.941 3.452 1.00 0.00 C ATOM 1064 O PHE A 74 -12.604 1.951 3.169 1.00 0.00 O ATOM 1065 CB PHE A 74 -11.087 0.175 1.237 1.00 0.00 C ATOM 1066 CG PHE A 74 -11.118 -0.854 0.144 1.00 0.00 C ATOM 1067 CD1 PHE A 74 -12.260 -1.044 -0.617 1.00 0.00 C ATOM 1068 CD2 PHE A 74 -10.003 -1.632 -0.124 1.00 0.00 C ATOM 1069 CE1 PHE A 74 -12.291 -1.990 -1.624 1.00 0.00 C ATOM 1070 CE2 PHE A 74 -10.029 -2.580 -1.131 1.00 0.00 C ATOM 1071 CZ PHE A 74 -11.174 -2.760 -1.880 1.00 0.00 C ATOM 0 H PHE A 74 -13.892 0.054 1.975 1.00 0.00 H new ATOM 0 HA PHE A 74 -11.363 -1.056 2.978 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.487 1.113 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.051 0.362 1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -13.137 -0.445 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.104 -1.497 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.188 -2.127 -2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.153 -3.179 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.196 -3.502 -2.665 1.00 0.00 H new ATOM 1081 N MET A 75 -11.305 0.799 4.600 1.00 0.00 N ATOM 1082 CA MET A 75 -11.304 1.848 5.614 1.00 0.00 C ATOM 1083 C MET A 75 -9.940 1.948 6.290 1.00 0.00 C ATOM 1084 O MET A 75 -9.322 0.934 6.614 1.00 0.00 O ATOM 1085 CB MET A 75 -12.387 1.578 6.660 1.00 0.00 C ATOM 1086 CG MET A 75 -12.053 2.129 8.037 1.00 0.00 C ATOM 1087 SD MET A 75 -13.524 2.459 9.028 1.00 0.00 S ATOM 1088 CE MET A 75 -12.987 3.887 9.965 1.00 0.00 C ATOM 0 H MET A 75 -10.768 -0.031 4.851 1.00 0.00 H new ATOM 0 HA MET A 75 -11.516 2.796 5.120 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.326 2.016 6.320 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.546 0.502 6.737 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.416 1.418 8.564 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.480 3.050 7.927 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.790 4.211 10.627 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.111 3.624 10.559 1.00 0.00 H new ATOM 0 HE3 MET A 75 -12.732 4.696 9.281 1.00 0.00 H new ATOM 1098 N ILE A 76 -9.478 3.176 6.501 1.00 0.00 N ATOM 1099 CA ILE A 76 -8.189 3.408 7.140 1.00 0.00 C ATOM 1100 C ILE A 76 -8.284 3.228 8.650 1.00 0.00 C ATOM 1101 O ILE A 76 -9.241 3.658 9.293 1.00 0.00 O ATOM 1102 CB ILE A 76 -7.655 4.819 6.835 1.00 0.00 C ATOM 1103 CG1 ILE A 76 -7.500 5.015 5.325 1.00 0.00 C ATOM 1104 CG2 ILE A 76 -6.327 5.048 7.542 1.00 0.00 C ATOM 1105 CD1 ILE A 76 -7.239 6.450 4.926 1.00 0.00 C ATOM 0 H ILE A 76 -9.978 4.026 6.239 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.498 2.671 6.732 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.373 5.550 7.206 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.680 4.392 4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.405 4.667 4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.963 6.050 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.466 4.946 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.600 4.312 7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.140 6.514 3.842 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.070 7.075 5.252 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.318 6.797 5.396 1.00 0.00 H new ATOM 1117 N PRO A 77 -7.266 2.577 9.234 1.00 0.00 N ATOM 1118 CA PRO A 77 -7.210 2.326 10.678 1.00 0.00 C ATOM 1119 C PRO A 77 -6.982 3.604 11.478 1.00 0.00 C ATOM 1120 O PRO A 77 -5.857 3.907 11.874 1.00 0.00 O ATOM 1121 CB PRO A 77 -6.016 1.380 10.828 1.00 0.00 C ATOM 1122 CG PRO A 77 -5.154 1.668 9.647 1.00 0.00 C ATOM 1123 CD PRO A 77 -6.091 2.035 8.529 1.00 0.00 C ATOM 0 HA PRO A 77 -8.146 1.915 11.058 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.482 1.561 11.761 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.336 0.338 10.840 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.461 2.483 9.859 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.552 0.799 9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.648 2.772 7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.351 1.168 7.922 1.00 0.00 H new ATOM 1131 N GLY A 78 -8.057 4.350 11.714 1.00 0.00 N ATOM 1132 CA GLY A 78 -7.952 5.586 12.468 1.00 0.00 C ATOM 1133 C GLY A 78 -9.113 6.523 12.208 1.00 0.00 C ATOM 1134 O GLY A 78 -9.387 7.418 13.007 1.00 0.00 O ATOM 0 H GLY A 78 -8.999 4.121 11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.906 5.356 13.532 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.019 6.088 12.210 1.00 0.00 H new ATOM 1138 N GLU A 79 -9.797 6.319 11.087 1.00 0.00 N ATOM 1139 CA GLU A 79 -10.936 7.156 10.724 1.00 0.00 C ATOM 1140 C GLU A 79 -12.232 6.590 11.296 1.00 0.00 C ATOM 1141 O GLU A 79 -12.226 5.573 11.990 1.00 0.00 O ATOM 1142 CB GLU A 79 -11.044 7.275 9.203 1.00 0.00 C ATOM 1143 CG GLU A 79 -9.904 8.055 8.570 1.00 0.00 C ATOM 1144 CD GLU A 79 -10.141 9.553 8.588 1.00 0.00 C ATOM 1145 OE1 GLU A 79 -10.160 10.138 9.692 1.00 0.00 O ATOM 1146 OE2 GLU A 79 -10.309 10.140 7.499 1.00 0.00 O ATOM 0 H GLU A 79 -9.583 5.582 10.415 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.776 8.147 11.148 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.073 6.275 8.770 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.988 7.759 8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.978 7.831 9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.771 7.724 7.540 1.00 0.00 H new ATOM 1153 N LYS A 80 -13.343 7.255 10.997 1.00 0.00 N ATOM 1154 CA LYS A 80 -14.649 6.820 11.478 1.00 0.00 C ATOM 1155 C LYS A 80 -15.600 6.564 10.314 1.00 0.00 C ATOM 1156 O LYS A 80 -16.818 6.526 10.492 1.00 0.00 O ATOM 1157 CB LYS A 80 -15.245 7.870 12.418 1.00 0.00 C ATOM 1158 CG LYS A 80 -14.428 8.094 13.678 1.00 0.00 C ATOM 1159 CD LYS A 80 -13.343 9.136 13.463 1.00 0.00 C ATOM 1160 CE LYS A 80 -13.915 10.545 13.465 1.00 0.00 C ATOM 1161 NZ LYS A 80 -13.955 11.124 14.836 1.00 0.00 N ATOM 0 H LYS A 80 -13.365 8.098 10.423 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.515 5.887 12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.337 8.815 11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.253 7.564 12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.085 8.414 14.487 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.974 7.154 13.990 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.591 9.047 14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.839 8.948 12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.312 11.183 12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.922 10.529 13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.351 12.085 14.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.551 10.529 15.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.991 11.163 15.225 1.00 0.00 H new ATOM 1175 N VAL A 81 -15.037 6.387 9.124 1.00 0.00 N ATOM 1176 CA VAL A 81 -15.836 6.131 7.930 1.00 0.00 C ATOM 1177 C VAL A 81 -15.127 5.162 6.991 1.00 0.00 C ATOM 1178 O VAL A 81 -13.905 5.019 7.038 1.00 0.00 O ATOM 1179 CB VAL A 81 -16.142 7.436 7.170 1.00 0.00 C ATOM 1180 CG1 VAL A 81 -17.417 8.076 7.699 1.00 0.00 C ATOM 1181 CG2 VAL A 81 -14.969 8.400 7.273 1.00 0.00 C ATOM 0 H VAL A 81 -14.031 6.416 8.960 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.773 5.686 8.265 1.00 0.00 H new ATOM 0 HB VAL A 81 -16.294 7.196 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -17.617 8.996 7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.251 7.387 7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -17.297 8.304 8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -15.202 9.316 6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -14.783 8.636 8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -14.080 7.939 6.841 1.00 0.00 H new ATOM 1191 N ALA A 82 -15.902 4.500 6.138 1.00 0.00 N ATOM 1192 CA ALA A 82 -15.347 3.547 5.186 1.00 0.00 C ATOM 1193 C ALA A 82 -15.824 3.847 3.769 1.00 0.00 C ATOM 1194 O ALA A 82 -16.530 4.827 3.535 1.00 0.00 O ATOM 1195 CB ALA A 82 -15.723 2.126 5.582 1.00 0.00 C ATOM 0 H ALA A 82 -16.915 4.606 6.087 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.261 3.642 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.302 1.424 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.328 1.908 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.808 2.027 5.593 1.00 0.00 H new ATOM 1201 N HIS A 83 -15.431 2.995 2.825 1.00 0.00 N ATOM 1202 CA HIS A 83 -15.819 3.170 1.429 1.00 0.00 C ATOM 1203 C HIS A 83 -15.889 1.825 0.713 1.00 0.00 C ATOM 1204 O HIS A 83 -15.191 0.878 1.077 1.00 0.00 O ATOM 1205 CB HIS A 83 -14.829 4.091 0.715 1.00 0.00 C ATOM 1206 CG HIS A 83 -14.362 5.238 1.558 1.00 0.00 C ATOM 1207 ND1 HIS A 83 -13.227 5.405 2.275 1.00 0.00 N flip ATOM 1208 CD2 HIS A 83 -15.100 6.390 1.734 1.00 0.00 C flip ATOM 1209 CE1 HIS A 83 -13.298 6.643 2.865 1.00 0.00 C flip ATOM 1210 NE2 HIS A 83 -14.437 7.217 2.522 1.00 0.00 N flip ATOM 0 H HIS A 83 -14.846 2.179 3.001 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.809 3.626 1.406 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -13.964 3.507 0.400 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -15.296 4.482 -0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -16.068 6.585 1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.545 7.077 3.506 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -14.751 8.142 2.816 1.00 0.00 H new ATOM 1218 N THR A 84 -16.738 1.748 -0.308 1.00 0.00 N ATOM 1219 CA THR A 84 -16.901 0.519 -1.074 1.00 0.00 C ATOM 1220 C THR A 84 -15.601 0.124 -1.765 1.00 0.00 C ATOM 1221 O THR A 84 -15.205 -1.041 -1.747 1.00 0.00 O ATOM 1222 CB THR A 84 -18.010 0.661 -2.134 1.00 0.00 C ATOM 1223 OG1 THR A 84 -17.820 1.867 -2.883 1.00 0.00 O ATOM 1224 CG2 THR A 84 -19.383 0.673 -1.482 1.00 0.00 C ATOM 0 H THR A 84 -17.323 2.522 -0.623 1.00 0.00 H new ATOM 0 HA THR A 84 -17.183 -0.260 -0.365 1.00 0.00 H new ATOM 0 HB THR A 84 -17.953 -0.196 -2.806 1.00 0.00 H new ATOM 0 HG1 THR A 84 -18.528 1.949 -3.556 1.00 0.00 H new ATOM 0 HG21 THR A 84 -20.150 0.774 -2.250 1.00 0.00 H new ATOM 0 HG22 THR A 84 -19.535 -0.259 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 84 -19.450 1.512 -0.790 1.00 0.00 H new ATOM 1232 N SER A 85 -14.939 1.104 -2.373 1.00 0.00 N ATOM 1233 CA SER A 85 -13.683 0.858 -3.074 1.00 0.00 C ATOM 1234 C SER A 85 -12.787 2.091 -3.030 1.00 0.00 C ATOM 1235 O SER A 85 -13.241 3.193 -2.719 1.00 0.00 O ATOM 1236 CB SER A 85 -13.954 0.460 -4.526 1.00 0.00 C ATOM 1237 OG SER A 85 -14.257 -0.920 -4.629 1.00 0.00 O ATOM 0 H SER A 85 -15.251 2.075 -2.394 1.00 0.00 H new ATOM 0 HA SER A 85 -13.169 0.039 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.784 1.048 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.082 0.691 -5.138 1.00 0.00 H new ATOM 0 HG SER A 85 -14.562 -1.254 -3.759 1.00 0.00 H new ATOM 1243 N LEU A 86 -11.510 1.898 -3.345 1.00 0.00 N ATOM 1244 CA LEU A 86 -10.548 2.995 -3.342 1.00 0.00 C ATOM 1245 C LEU A 86 -11.152 4.251 -3.960 1.00 0.00 C ATOM 1246 O LEU A 86 -11.102 5.330 -3.370 1.00 0.00 O ATOM 1247 CB LEU A 86 -9.286 2.592 -4.108 1.00 0.00 C ATOM 1248 CG LEU A 86 -8.450 1.473 -3.485 1.00 0.00 C ATOM 1249 CD1 LEU A 86 -7.423 0.957 -4.480 1.00 0.00 C ATOM 1250 CD2 LEU A 86 -7.769 1.960 -2.215 1.00 0.00 C ATOM 0 H LEU A 86 -11.118 0.993 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.285 3.213 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.578 2.284 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.654 3.473 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.116 0.651 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.838 0.161 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.933 0.568 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.761 1.771 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.179 1.151 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.116 2.800 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.524 2.279 -1.497 1.00 0.00 H new ATOM 1262 N ASP A 87 -11.726 4.103 -5.149 1.00 0.00 N ATOM 1263 CA ASP A 87 -12.343 5.226 -5.845 1.00 0.00 C ATOM 1264 C ASP A 87 -13.225 6.034 -4.899 1.00 0.00 C ATOM 1265 O ASP A 87 -13.000 7.225 -4.691 1.00 0.00 O ATOM 1266 CB ASP A 87 -13.169 4.726 -7.031 1.00 0.00 C ATOM 1267 CG ASP A 87 -14.304 5.667 -7.384 1.00 0.00 C ATOM 1268 OD1 ASP A 87 -14.020 6.794 -7.841 1.00 0.00 O ATOM 1269 OD2 ASP A 87 -15.476 5.277 -7.203 1.00 0.00 O ATOM 0 H ASP A 87 -11.777 3.216 -5.651 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.548 5.875 -6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.519 4.605 -7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.576 3.742 -6.798 1.00 0.00 H new ATOM 1274 N ALA A 88 -14.230 5.377 -4.329 1.00 0.00 N ATOM 1275 CA ALA A 88 -15.145 6.034 -3.404 1.00 0.00 C ATOM 1276 C ALA A 88 -14.436 6.416 -2.109 1.00 0.00 C ATOM 1277 O ALA A 88 -15.019 7.060 -1.236 1.00 0.00 O ATOM 1278 CB ALA A 88 -16.335 5.132 -3.110 1.00 0.00 C ATOM 0 H ALA A 88 -14.431 4.390 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.504 6.949 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -17.010 5.635 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.863 4.913 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.985 4.201 -2.663 1.00 0.00 H new ATOM 1284 N LEU A 89 -13.175 6.015 -1.990 1.00 0.00 N ATOM 1285 CA LEU A 89 -12.386 6.315 -0.800 1.00 0.00 C ATOM 1286 C LEU A 89 -11.493 7.530 -1.032 1.00 0.00 C ATOM 1287 O LEU A 89 -11.148 8.248 -0.093 1.00 0.00 O ATOM 1288 CB LEU A 89 -11.532 5.106 -0.412 1.00 0.00 C ATOM 1289 CG LEU A 89 -10.174 5.418 0.216 1.00 0.00 C ATOM 1290 CD1 LEU A 89 -9.718 4.268 1.101 1.00 0.00 C ATOM 1291 CD2 LEU A 89 -9.140 5.706 -0.863 1.00 0.00 C ATOM 0 H LEU A 89 -12.677 5.482 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.073 6.542 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.101 4.494 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.367 4.501 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.279 6.308 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.749 4.508 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.447 4.109 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.631 3.361 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.179 5.926 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.038 4.835 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -9.461 6.563 -1.455 1.00 0.00 H new ATOM 1303 N VAL A 90 -11.123 7.755 -2.288 1.00 0.00 N ATOM 1304 CA VAL A 90 -10.272 8.885 -2.644 1.00 0.00 C ATOM 1305 C VAL A 90 -11.079 10.176 -2.722 1.00 0.00 C ATOM 1306 O VAL A 90 -10.616 11.238 -2.303 1.00 0.00 O ATOM 1307 CB VAL A 90 -9.564 8.652 -3.992 1.00 0.00 C ATOM 1308 CG1 VAL A 90 -8.737 9.869 -4.377 1.00 0.00 C ATOM 1309 CG2 VAL A 90 -8.698 7.405 -3.929 1.00 0.00 C ATOM 0 H VAL A 90 -11.399 7.170 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.521 8.976 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.322 8.500 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.244 9.687 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.388 10.738 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.985 10.055 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.205 7.255 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.945 7.524 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.321 6.540 -3.702 1.00 0.00 H new ATOM 1319 N THR A 91 -12.291 10.079 -3.260 1.00 0.00 N ATOM 1320 CA THR A 91 -13.162 11.240 -3.394 1.00 0.00 C ATOM 1321 C THR A 91 -13.543 11.803 -2.029 1.00 0.00 C ATOM 1322 O THR A 91 -13.477 13.011 -1.805 1.00 0.00 O ATOM 1323 CB THR A 91 -14.447 10.890 -4.169 1.00 0.00 C ATOM 1324 OG1 THR A 91 -14.119 10.459 -5.494 1.00 0.00 O ATOM 1325 CG2 THR A 91 -15.381 12.089 -4.238 1.00 0.00 C ATOM 0 H THR A 91 -12.691 9.209 -3.610 1.00 0.00 H new ATOM 0 HA THR A 91 -12.603 11.992 -3.951 1.00 0.00 H new ATOM 0 HB THR A 91 -14.954 10.083 -3.640 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.941 10.237 -5.979 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.281 11.818 -4.790 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.653 12.397 -3.228 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.879 12.913 -4.745 1.00 0.00 H new ATOM 1333 N PHE A 92 -13.940 10.918 -1.120 1.00 0.00 N ATOM 1334 CA PHE A 92 -14.332 11.327 0.224 1.00 0.00 C ATOM 1335 C PHE A 92 -13.143 11.910 0.983 1.00 0.00 C ATOM 1336 O PHE A 92 -13.311 12.716 1.899 1.00 0.00 O ATOM 1337 CB PHE A 92 -14.910 10.138 0.993 1.00 0.00 C ATOM 1338 CG PHE A 92 -15.556 10.523 2.294 1.00 0.00 C ATOM 1339 CD1 PHE A 92 -14.790 10.725 3.431 1.00 0.00 C ATOM 1340 CD2 PHE A 92 -16.930 10.682 2.380 1.00 0.00 C ATOM 1341 CE1 PHE A 92 -15.381 11.079 4.629 1.00 0.00 C ATOM 1342 CE2 PHE A 92 -17.526 11.036 3.575 1.00 0.00 C ATOM 1343 CZ PHE A 92 -16.751 11.234 4.701 1.00 0.00 C ATOM 0 H PHE A 92 -13.999 9.914 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.097 12.099 0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.645 9.633 0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -14.113 9.421 1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -13.718 10.604 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.541 10.527 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.772 11.234 5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.598 11.158 3.629 1.00 0.00 H new ATOM 0 HZ PHE A 92 -17.216 11.510 5.636 1.00 0.00 H new ATOM 1353 N HIS A 93 -11.941 11.495 0.596 1.00 0.00 N ATOM 1354 CA HIS A 93 -10.723 11.974 1.239 1.00 0.00 C ATOM 1355 C HIS A 93 -10.442 13.425 0.856 1.00 0.00 C ATOM 1356 O HIS A 93 -10.086 14.242 1.705 1.00 0.00 O ATOM 1357 CB HIS A 93 -9.536 11.093 0.852 1.00 0.00 C ATOM 1358 CG HIS A 93 -9.438 9.832 1.656 1.00 0.00 C ATOM 1359 ND1 HIS A 93 -9.036 8.588 1.305 1.00 0.00 N flip ATOM 1360 CD2 HIS A 93 -9.781 9.762 2.989 1.00 0.00 C flip ATOM 1361 CE1 HIS A 93 -9.141 7.797 2.423 1.00 0.00 C flip ATOM 1362 NE2 HIS A 93 -9.592 8.529 3.426 1.00 0.00 N flip ATOM 0 H HIS A 93 -11.785 10.828 -0.160 1.00 0.00 H new ATOM 0 HA HIS A 93 -10.866 11.922 2.318 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -9.614 10.835 -0.204 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -8.615 11.664 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -10.147 10.586 3.584 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -8.895 6.747 2.474 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -9.765 8.199 4.376 1.00 0.00 H new ATOM 1370 N GLN A 94 -10.602 13.735 -0.426 1.00 0.00 N ATOM 1371 CA GLN A 94 -10.364 15.086 -0.920 1.00 0.00 C ATOM 1372 C GLN A 94 -11.078 16.117 -0.053 1.00 0.00 C ATOM 1373 O GLN A 94 -10.738 17.299 -0.073 1.00 0.00 O ATOM 1374 CB GLN A 94 -10.830 15.211 -2.372 1.00 0.00 C ATOM 1375 CG GLN A 94 -9.846 14.637 -3.379 1.00 0.00 C ATOM 1376 CD GLN A 94 -10.437 14.515 -4.769 1.00 0.00 C ATOM 1377 OE1 GLN A 94 -11.327 13.699 -5.008 1.00 0.00 O ATOM 1378 NE2 GLN A 94 -9.945 15.329 -5.695 1.00 0.00 N ATOM 0 H GLN A 94 -10.895 13.070 -1.141 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.292 15.279 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -11.788 14.703 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.999 16.263 -2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.961 15.272 -3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.518 13.654 -3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -9.207 15.990 -5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.305 15.293 -6.649 1.00 0.00 H new ATOM 1387 N GLN A 95 -12.069 15.660 0.705 1.00 0.00 N ATOM 1388 CA GLN A 95 -12.833 16.544 1.578 1.00 0.00 C ATOM 1389 C GLN A 95 -12.564 16.225 3.045 1.00 0.00 C ATOM 1390 O GLN A 95 -12.694 17.089 3.913 1.00 0.00 O ATOM 1391 CB GLN A 95 -14.329 16.420 1.283 1.00 0.00 C ATOM 1392 CG GLN A 95 -14.662 16.473 -0.199 1.00 0.00 C ATOM 1393 CD GLN A 95 -16.145 16.661 -0.457 1.00 0.00 C ATOM 1394 OE1 GLN A 95 -16.734 17.664 -0.057 1.00 0.00 O ATOM 1395 NE2 GLN A 95 -16.756 15.693 -1.131 1.00 0.00 N ATOM 0 H GLN A 95 -12.362 14.683 0.733 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.516 17.568 1.383 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.696 15.480 1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.860 17.222 1.795 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.110 17.290 -0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.328 15.552 -0.676 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -16.228 14.878 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -17.753 15.765 -1.336 1.00 0.00 H new ATOM 1404 N LYS A 96 -12.189 14.980 3.316 1.00 0.00 N ATOM 1405 CA LYS A 96 -11.900 14.546 4.677 1.00 0.00 C ATOM 1406 C LYS A 96 -10.498 13.954 4.774 1.00 0.00 C ATOM 1407 O LYS A 96 -10.214 12.878 4.246 1.00 0.00 O ATOM 1408 CB LYS A 96 -12.933 13.514 5.136 1.00 0.00 C ATOM 1409 CG LYS A 96 -14.157 14.129 5.792 1.00 0.00 C ATOM 1410 CD LYS A 96 -13.970 14.277 7.292 1.00 0.00 C ATOM 1411 CE LYS A 96 -14.065 12.935 8.001 1.00 0.00 C ATOM 1412 NZ LYS A 96 -14.230 13.095 9.472 1.00 0.00 N ATOM 0 H LYS A 96 -12.078 14.253 2.610 1.00 0.00 H new ATOM 0 HA LYS A 96 -11.953 15.419 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.250 12.923 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.461 12.827 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -14.355 15.106 5.351 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.029 13.506 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.999 14.729 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.727 14.954 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.908 12.372 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.166 12.352 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.291 12.158 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.414 13.610 9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.101 13.629 9.668 1.00 0.00 H new ATOM 1426 N PRO A 97 -9.598 14.670 5.465 1.00 0.00 N ATOM 1427 CA PRO A 97 -8.211 14.234 5.648 1.00 0.00 C ATOM 1428 C PRO A 97 -8.101 13.025 6.570 1.00 0.00 C ATOM 1429 O PRO A 97 -9.108 12.421 6.939 1.00 0.00 O ATOM 1430 CB PRO A 97 -7.537 15.453 6.283 1.00 0.00 C ATOM 1431 CG PRO A 97 -8.642 16.187 6.962 1.00 0.00 C ATOM 1432 CD PRO A 97 -9.866 15.962 6.120 1.00 0.00 C ATOM 0 HA PRO A 97 -7.756 13.918 4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.766 15.154 6.993 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.053 16.075 5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -8.792 15.816 7.976 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.413 17.250 7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.770 15.924 6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.005 16.761 5.391 1.00 0.00 H new ATOM 1440 N ILE A 98 -6.872 12.677 6.940 1.00 0.00 N ATOM 1441 CA ILE A 98 -6.632 11.540 7.820 1.00 0.00 C ATOM 1442 C ILE A 98 -6.586 11.977 9.280 1.00 0.00 C ATOM 1443 O ILE A 98 -6.014 13.016 9.609 1.00 0.00 O ATOM 1444 CB ILE A 98 -5.316 10.823 7.467 1.00 0.00 C ATOM 1445 CG1 ILE A 98 -5.025 10.952 5.970 1.00 0.00 C ATOM 1446 CG2 ILE A 98 -5.386 9.359 7.874 1.00 0.00 C ATOM 1447 CD1 ILE A 98 -6.193 10.562 5.092 1.00 0.00 C ATOM 0 H ILE A 98 -6.028 13.167 6.644 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.462 10.848 7.676 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.503 11.295 8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.744 11.982 5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.168 10.327 5.719 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.449 8.865 7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -5.552 9.288 8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.207 8.874 7.347 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.915 10.678 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -6.461 9.523 5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.046 11.204 5.315 1.00 0.00 H new ATOM 1459 N GLU A 99 -7.187 11.174 10.152 1.00 0.00 N ATOM 1460 CA GLU A 99 -7.212 11.477 11.578 1.00 0.00 C ATOM 1461 C GLU A 99 -5.918 12.159 12.013 1.00 0.00 C ATOM 1462 O GLU A 99 -5.918 13.274 12.534 1.00 0.00 O ATOM 1463 CB GLU A 99 -7.426 10.198 12.391 1.00 0.00 C ATOM 1464 CG GLU A 99 -6.749 10.222 13.751 1.00 0.00 C ATOM 1465 CD GLU A 99 -7.275 9.147 14.683 1.00 0.00 C ATOM 1466 OE1 GLU A 99 -8.389 9.319 15.219 1.00 0.00 O ATOM 1467 OE2 GLU A 99 -6.572 8.133 14.874 1.00 0.00 O ATOM 0 H GLU A 99 -7.663 10.309 9.896 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.042 12.159 11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.496 10.040 12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.049 9.348 11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.675 10.091 13.620 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.897 11.200 14.209 1.00 0.00 H new ATOM 1474 N PRO A 100 -4.786 11.473 11.793 1.00 0.00 N ATOM 1475 CA PRO A 100 -3.464 11.991 12.153 1.00 0.00 C ATOM 1476 C PRO A 100 -3.040 13.162 11.273 1.00 0.00 C ATOM 1477 O PRO A 100 -2.569 14.185 11.768 1.00 0.00 O ATOM 1478 CB PRO A 100 -2.539 10.792 11.929 1.00 0.00 C ATOM 1479 CG PRO A 100 -3.241 9.957 10.916 1.00 0.00 C ATOM 1480 CD PRO A 100 -4.711 10.137 11.175 1.00 0.00 C ATOM 0 HA PRO A 100 -3.443 12.379 13.171 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.560 11.109 11.571 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.376 10.239 12.854 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.982 10.271 9.905 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.954 8.909 11.008 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.291 10.087 10.253 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -5.100 9.365 11.838 1.00 0.00 H new ATOM 1488 N ARG A 101 -3.211 13.004 9.964 1.00 0.00 N ATOM 1489 CA ARG A 101 -2.846 14.049 9.015 1.00 0.00 C ATOM 1490 C ARG A 101 -4.084 14.791 8.521 1.00 0.00 C ATOM 1491 O ARG A 101 -4.921 14.225 7.818 1.00 0.00 O ATOM 1492 CB ARG A 101 -2.092 13.447 7.828 1.00 0.00 C ATOM 1493 CG ARG A 101 -0.668 13.030 8.159 1.00 0.00 C ATOM 1494 CD ARG A 101 0.168 14.215 8.615 1.00 0.00 C ATOM 1495 NE ARG A 101 1.578 13.866 8.766 1.00 0.00 N ATOM 1496 CZ ARG A 101 2.044 13.101 9.746 1.00 0.00 C ATOM 1497 NH1 ARG A 101 1.219 12.608 10.658 1.00 0.00 N ATOM 1498 NH2 ARG A 101 3.341 12.827 9.816 1.00 0.00 N ATOM 0 H ARG A 101 -3.600 12.163 9.537 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.197 14.760 9.527 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.640 12.579 7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.069 14.174 7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.683 12.271 8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.208 12.575 7.282 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.071 15.026 7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.217 14.586 9.565 1.00 0.00 H new ATOM 0 HE ARG A 101 2.241 14.230 8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.222 12.816 10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.581 12.021 11.409 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.980 13.204 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.698 12.239 10.569 1.00 0.00 H new ATOM 1512 N ARG A 102 -4.194 16.062 8.894 1.00 0.00 N ATOM 1513 CA ARG A 102 -5.329 16.882 8.491 1.00 0.00 C ATOM 1514 C ARG A 102 -5.208 17.297 7.027 1.00 0.00 C ATOM 1515 O ARG A 102 -6.151 17.827 6.443 1.00 0.00 O ATOM 1516 CB ARG A 102 -5.429 18.124 9.377 1.00 0.00 C ATOM 1517 CG ARG A 102 -4.275 19.097 9.195 1.00 0.00 C ATOM 1518 CD ARG A 102 -4.581 20.132 8.124 1.00 0.00 C ATOM 1519 NE ARG A 102 -5.202 21.330 8.681 1.00 0.00 N ATOM 1520 CZ ARG A 102 -5.324 22.472 8.016 1.00 0.00 C ATOM 1521 NH1 ARG A 102 -4.869 22.572 6.773 1.00 0.00 N ATOM 1522 NH2 ARG A 102 -5.901 23.519 8.591 1.00 0.00 N ATOM 0 H ARG A 102 -3.510 16.546 9.475 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.234 16.287 8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -6.365 18.639 9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.470 17.813 10.421 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.070 19.600 10.140 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.374 18.547 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.659 20.407 7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.243 19.695 7.376 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.562 21.287 9.634 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.424 21.770 6.327 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.964 23.451 6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.252 23.447 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.994 24.396 8.078 1.00 0.00 H new ATOM 1536 N GLU A 103 -4.040 17.051 6.443 1.00 0.00 N ATOM 1537 CA GLU A 103 -3.796 17.400 5.048 1.00 0.00 C ATOM 1538 C GLU A 103 -4.825 16.742 4.134 1.00 0.00 C ATOM 1539 O GLU A 103 -5.233 15.601 4.359 1.00 0.00 O ATOM 1540 CB GLU A 103 -2.385 16.978 4.632 1.00 0.00 C ATOM 1541 CG GLU A 103 -1.332 18.045 4.877 1.00 0.00 C ATOM 1542 CD GLU A 103 -1.034 18.244 6.351 1.00 0.00 C ATOM 1543 OE1 GLU A 103 -1.952 18.652 7.093 1.00 0.00 O ATOM 1544 OE2 GLU A 103 0.118 17.991 6.761 1.00 0.00 O ATOM 0 H GLU A 103 -3.248 16.612 6.913 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.888 18.482 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.109 16.076 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.390 16.721 3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.414 17.769 4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.670 18.988 4.448 1.00 0.00 H new ATOM 1551 N LEU A 104 -5.243 17.469 3.103 1.00 0.00 N ATOM 1552 CA LEU A 104 -6.226 16.957 2.154 1.00 0.00 C ATOM 1553 C LEU A 104 -5.574 16.645 0.811 1.00 0.00 C ATOM 1554 O LEU A 104 -4.366 16.815 0.640 1.00 0.00 O ATOM 1555 CB LEU A 104 -7.355 17.971 1.963 1.00 0.00 C ATOM 1556 CG LEU A 104 -8.462 17.949 3.017 1.00 0.00 C ATOM 1557 CD1 LEU A 104 -9.538 18.970 2.682 1.00 0.00 C ATOM 1558 CD2 LEU A 104 -9.064 16.556 3.130 1.00 0.00 C ATOM 0 H LEU A 104 -4.917 18.414 2.903 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.640 16.034 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.920 18.970 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.808 17.801 0.986 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.025 18.214 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.318 18.940 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -9.097 19.967 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.971 18.736 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.850 16.560 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.485 16.263 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.288 15.847 3.418 1.00 0.00 H new ATOM 1570 N LEU A 105 -6.381 16.189 -0.141 1.00 0.00 N ATOM 1571 CA LEU A 105 -5.885 15.856 -1.471 1.00 0.00 C ATOM 1572 C LEU A 105 -6.324 16.899 -2.494 1.00 0.00 C ATOM 1573 O LEU A 105 -7.218 17.703 -2.233 1.00 0.00 O ATOM 1574 CB LEU A 105 -6.383 14.472 -1.891 1.00 0.00 C ATOM 1575 CG LEU A 105 -6.189 13.350 -0.869 1.00 0.00 C ATOM 1576 CD1 LEU A 105 -6.755 12.042 -1.400 1.00 0.00 C ATOM 1577 CD2 LEU A 105 -4.716 13.195 -0.521 1.00 0.00 C ATOM 0 H LEU A 105 -7.382 16.041 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.796 15.848 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.445 14.545 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.874 14.189 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.730 13.614 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.608 11.255 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.820 12.160 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.242 11.772 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.597 12.393 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.153 12.954 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.342 14.127 -0.098 1.00 0.00 H new ATOM 1589 N THR A 106 -5.689 16.878 -3.663 1.00 0.00 N ATOM 1590 CA THR A 106 -6.015 17.820 -4.725 1.00 0.00 C ATOM 1591 C THR A 106 -6.277 17.096 -6.041 1.00 0.00 C ATOM 1592 O THR A 106 -7.355 17.216 -6.621 1.00 0.00 O ATOM 1593 CB THR A 106 -4.883 18.845 -4.934 1.00 0.00 C ATOM 1594 OG1 THR A 106 -3.889 18.305 -5.812 1.00 0.00 O ATOM 1595 CG2 THR A 106 -4.244 19.222 -3.605 1.00 0.00 C ATOM 0 H THR A 106 -4.947 16.219 -3.897 1.00 0.00 H new ATOM 0 HA THR A 106 -6.919 18.345 -4.415 1.00 0.00 H new ATOM 0 HB THR A 106 -5.312 19.742 -5.381 1.00 0.00 H new ATOM 0 HG1 THR A 106 -3.174 18.963 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.448 19.946 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.998 19.659 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.828 18.331 -3.135 1.00 0.00 H new ATOM 1603 N GLN A 107 -5.284 16.344 -6.506 1.00 0.00 N ATOM 1604 CA GLN A 107 -5.409 15.600 -7.754 1.00 0.00 C ATOM 1605 C GLN A 107 -4.585 14.317 -7.708 1.00 0.00 C ATOM 1606 O GLN A 107 -3.577 14.224 -7.007 1.00 0.00 O ATOM 1607 CB GLN A 107 -4.963 16.465 -8.933 1.00 0.00 C ATOM 1608 CG GLN A 107 -3.531 16.962 -8.817 1.00 0.00 C ATOM 1609 CD GLN A 107 -3.194 18.018 -9.850 1.00 0.00 C ATOM 1610 OE1 GLN A 107 -2.989 17.711 -11.025 1.00 0.00 O ATOM 1611 NE2 GLN A 107 -3.135 19.273 -9.419 1.00 0.00 N ATOM 0 H GLN A 107 -4.385 16.234 -6.037 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.457 15.332 -7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.066 15.890 -9.854 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.631 17.323 -9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.372 17.372 -7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -2.848 16.120 -8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -3.312 19.484 -8.437 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.913 20.026 -10.070 1.00 0.00 H new ATOM 1620 N PRO A 108 -5.023 13.305 -8.471 1.00 0.00 N ATOM 1621 CA PRO A 108 -4.341 12.009 -8.535 1.00 0.00 C ATOM 1622 C PRO A 108 -2.996 12.097 -9.249 1.00 0.00 C ATOM 1623 O PRO A 108 -2.832 12.876 -10.189 1.00 0.00 O ATOM 1624 CB PRO A 108 -5.313 11.135 -9.330 1.00 0.00 C ATOM 1625 CG PRO A 108 -6.099 12.095 -10.154 1.00 0.00 C ATOM 1626 CD PRO A 108 -6.217 13.347 -9.331 1.00 0.00 C ATOM 0 HA PRO A 108 -4.111 11.620 -7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.780 10.419 -9.956 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -5.960 10.559 -8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.599 12.296 -11.101 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.083 11.690 -10.392 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.230 14.239 -9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.135 13.356 -8.743 1.00 0.00 H new ATOM 1634 N CYS A 109 -2.039 11.294 -8.800 1.00 0.00 N ATOM 1635 CA CYS A 109 -0.709 11.280 -9.396 1.00 0.00 C ATOM 1636 C CYS A 109 -0.698 10.460 -10.683 1.00 0.00 C ATOM 1637 O CYS A 109 -1.602 9.662 -10.928 1.00 0.00 O ATOM 1638 CB CYS A 109 0.311 10.714 -8.408 1.00 0.00 C ATOM 1639 SG CYS A 109 2.020 10.769 -8.996 1.00 0.00 S ATOM 0 H CYS A 109 -2.160 10.643 -8.024 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.437 12.307 -9.638 1.00 0.00 H new ATOM 0 HB2 CYS A 109 0.242 11.270 -7.473 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.048 9.680 -8.184 1.00 0.00 H new ATOM 0 HG CYS A 109 2.830 10.681 -7.983 1.00 0.00 H new ATOM 1645 N ARG A 110 0.330 10.665 -11.500 1.00 0.00 N ATOM 1646 CA ARG A 110 0.457 9.947 -12.762 1.00 0.00 C ATOM 1647 C ARG A 110 1.735 9.113 -12.787 1.00 0.00 C ATOM 1648 O ARG A 110 2.811 9.599 -12.439 1.00 0.00 O ATOM 1649 CB ARG A 110 0.452 10.929 -13.935 1.00 0.00 C ATOM 1650 CG ARG A 110 -0.370 12.180 -13.678 1.00 0.00 C ATOM 1651 CD ARG A 110 -1.857 11.915 -13.846 1.00 0.00 C ATOM 1652 NE ARG A 110 -2.582 13.111 -14.266 1.00 0.00 N ATOM 1653 CZ ARG A 110 -2.365 13.735 -15.418 1.00 0.00 C ATOM 1654 NH1 ARG A 110 -1.449 13.280 -16.261 1.00 0.00 N ATOM 1655 NH2 ARG A 110 -3.067 14.818 -15.730 1.00 0.00 N ATOM 0 H ARG A 110 1.087 11.322 -11.310 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.396 9.275 -12.856 1.00 0.00 H new ATOM 0 HB2 ARG A 110 1.478 11.219 -14.160 1.00 0.00 H new ATOM 0 HB3 ARG A 110 0.063 10.424 -14.819 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.176 12.543 -12.669 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.060 12.968 -14.365 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.003 11.125 -14.583 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.269 11.553 -12.904 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.294 13.488 -13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.908 12.448 -16.026 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.285 13.762 -17.145 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.774 15.171 -15.085 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.900 15.297 -16.615 1.00 0.00 H new ATOM 1669 N GLN A 111 1.607 7.856 -13.200 1.00 0.00 N ATOM 1670 CA GLN A 111 2.752 6.955 -13.269 1.00 0.00 C ATOM 1671 C GLN A 111 3.848 7.536 -14.156 1.00 0.00 C ATOM 1672 O GLN A 111 3.569 8.213 -15.145 1.00 0.00 O ATOM 1673 CB GLN A 111 2.320 5.588 -13.801 1.00 0.00 C ATOM 1674 CG GLN A 111 2.124 5.555 -15.308 1.00 0.00 C ATOM 1675 CD GLN A 111 1.186 4.449 -15.751 1.00 0.00 C ATOM 1676 OE1 GLN A 111 1.619 3.435 -16.301 1.00 0.00 O ATOM 1677 NE2 GLN A 111 -0.106 4.637 -15.512 1.00 0.00 N ATOM 0 H GLN A 111 0.723 7.439 -13.492 1.00 0.00 H new ATOM 0 HA GLN A 111 3.150 6.835 -12.261 1.00 0.00 H new ATOM 0 HB2 GLN A 111 3.069 4.847 -13.524 1.00 0.00 H new ATOM 0 HB3 GLN A 111 1.389 5.296 -13.316 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.730 6.515 -15.640 1.00 0.00 H new ATOM 0 HG3 GLN A 111 3.091 5.422 -15.793 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -0.421 5.492 -15.054 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -0.784 3.926 -15.786 1.00 0.00 H new ATOM 1686 N LYS A 112 5.099 7.266 -13.795 1.00 0.00 N ATOM 1687 CA LYS A 112 6.240 7.761 -14.558 1.00 0.00 C ATOM 1688 C LYS A 112 6.105 7.398 -16.034 1.00 0.00 C ATOM 1689 O LYS A 112 5.818 6.251 -16.378 1.00 0.00 O ATOM 1690 CB LYS A 112 7.542 7.185 -13.997 1.00 0.00 C ATOM 1691 CG LYS A 112 8.155 8.032 -12.895 1.00 0.00 C ATOM 1692 CD LYS A 112 9.550 7.549 -12.533 1.00 0.00 C ATOM 1693 CE LYS A 112 10.357 8.642 -11.848 1.00 0.00 C ATOM 1694 NZ LYS A 112 11.810 8.320 -11.816 1.00 0.00 N ATOM 0 H LYS A 112 5.348 6.707 -12.979 1.00 0.00 H new ATOM 0 HA LYS A 112 6.262 8.847 -14.469 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.350 6.184 -13.611 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.263 7.081 -14.808 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.201 9.072 -13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.517 8.000 -12.012 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.477 6.683 -11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.069 7.223 -13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.206 9.587 -12.370 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.993 8.779 -10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.326 9.089 -11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.957 7.432 -11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.164 8.215 -12.788 1.00 0.00 H new