USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 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 60 CYS SG : rot 110:sc= -1.02 USER MOD Set 1.2: A 65 CYS SG : rot 147:sc= -1.54 USER MOD Set 1.3: A 81 HIS : no HE2:sc= -3.19 X(o=-7.7,f=-8.1!) USER MOD Set 1.4: A 85 HIS : no HD1:sc= -1.98 K(o=-7.7,f=-13!) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -1.46 K(o=-2.9,f=1.7) USER MOD Set 2.2: A 43 THR OG1 : rot -120:sc= -1.48 USER MOD Set 3.1: A 16 CYS SG : rot -117:sc= -0.288 USER MOD Set 3.2: A 31 CYS SG : rot 1:sc= 0.185 USER MOD Set 3.3: A 44 HIS : no HD1:sc= -5.26! C(o=-8.2!,f=-9.3!) USER MOD Set 3.4: A 49 HIS : no HE2:sc= -2.87 K(o=-8.2,f=-12) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 24:sc= 0.149 USER MOD Single : A 34 THR OG1 : rot 34:sc= 0.0374 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 179:sc= -1.98 USER MOD Single : A 38 MET CE :methyl 176:sc= -1.98! (180deg=-2.04!) USER MOD Single : A 46 THR OG1 : rot 99:sc= 1.19 USER MOD Single : A 47 MET CE :methyl 157:sc= -0.37 (180deg=-1.23) USER MOD Single : A 55 GLN : amide:sc= -3.76! C(o=-3.8!,f=-3.5!) USER MOD Single : A 56 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 58 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=-0.24) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00397) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.287 K(o=-0.29,f=-0.94) USER MOD Single : A 86 THR OG1 : rot -7:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 13 -14.019 9.087 0.694 1.00 0.00 N ATOM 156 CA GLU A 13 -13.554 8.048 1.605 1.00 0.00 C ATOM 157 C GLU A 13 -12.554 7.126 0.913 1.00 0.00 C ATOM 158 O GLU A 13 -12.938 6.181 0.223 1.00 0.00 O ATOM 159 CB GLU A 13 -14.738 7.232 2.130 1.00 0.00 C ATOM 160 CG GLU A 13 -15.825 7.001 1.094 1.00 0.00 C ATOM 161 CD GLU A 13 -16.997 6.212 1.645 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.900 6.833 2.245 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.012 4.975 1.476 1.00 0.00 O ATOM 0 HA GLU A 13 -13.055 8.533 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.375 6.267 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.170 7.745 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.181 7.963 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.402 6.469 0.242 1.00 0.00 H new ATOM 170 N LEU A 14 -11.270 7.407 1.104 1.00 0.00 N ATOM 171 CA LEU A 14 -10.213 6.605 0.498 1.00 0.00 C ATOM 172 C LEU A 14 -10.383 5.129 0.845 1.00 0.00 C ATOM 173 O LEU A 14 -10.404 4.755 2.018 1.00 0.00 O ATOM 174 CB LEU A 14 -8.841 7.095 0.966 1.00 0.00 C ATOM 175 CG LEU A 14 -8.595 8.600 0.860 1.00 0.00 C ATOM 176 CD1 LEU A 14 -8.035 9.143 2.166 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.652 8.906 -0.294 1.00 0.00 C ATOM 0 H LEU A 14 -10.936 8.184 1.674 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.282 6.716 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.706 6.797 2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.076 6.580 0.385 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.548 9.091 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.866 10.216 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.745 8.957 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.092 8.646 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.488 9.982 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.699 8.403 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.092 8.553 -1.227 1.00 0.00 H new ATOM 189 N SER A 15 -10.503 4.295 -0.183 1.00 0.00 N ATOM 190 CA SER A 15 -10.673 2.860 0.013 1.00 0.00 C ATOM 191 C SER A 15 -9.374 2.114 -0.277 1.00 0.00 C ATOM 192 O SER A 15 -8.575 2.537 -1.113 1.00 0.00 O ATOM 193 CB SER A 15 -11.791 2.330 -0.888 1.00 0.00 C ATOM 194 OG SER A 15 -12.840 3.274 -1.007 1.00 0.00 O ATOM 0 H SER A 15 -10.486 4.588 -1.160 1.00 0.00 H new ATOM 0 HA SER A 15 -10.944 2.690 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.389 2.102 -1.875 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.181 1.398 -0.479 1.00 0.00 H new ATOM 0 HG SER A 15 -13.541 2.913 -1.589 1.00 0.00 H new ATOM 200 N CYS A 16 -9.170 1.002 0.421 1.00 0.00 N ATOM 201 CA CYS A 16 -7.968 0.196 0.241 1.00 0.00 C ATOM 202 C CYS A 16 -8.262 -1.037 -0.609 1.00 0.00 C ATOM 203 O CYS A 16 -8.656 -2.082 -0.092 1.00 0.00 O ATOM 204 CB CYS A 16 -7.407 -0.230 1.599 1.00 0.00 C ATOM 205 SG CYS A 16 -6.260 -1.644 1.519 1.00 0.00 S ATOM 0 H CYS A 16 -9.821 0.638 1.117 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.227 0.805 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.891 0.618 2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.236 -0.485 2.259 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.759 -2.645 2.182 1.00 0.00 H new ATOM 210 N LYS A 17 -8.069 -0.906 -1.917 1.00 0.00 N ATOM 211 CA LYS A 17 -8.311 -2.008 -2.841 1.00 0.00 C ATOM 212 C LYS A 17 -7.156 -3.004 -2.814 1.00 0.00 C ATOM 213 O LYS A 17 -6.521 -3.260 -3.837 1.00 0.00 O ATOM 214 CB LYS A 17 -8.506 -1.476 -4.262 1.00 0.00 C ATOM 215 CG LYS A 17 -9.710 -0.561 -4.409 1.00 0.00 C ATOM 216 CD LYS A 17 -11.013 -1.319 -4.216 1.00 0.00 C ATOM 217 CE LYS A 17 -11.808 -0.770 -3.041 1.00 0.00 C ATOM 218 NZ LYS A 17 -12.794 0.260 -3.471 1.00 0.00 N ATOM 0 H LYS A 17 -7.745 -0.047 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.219 -2.522 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.610 -0.935 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.615 -2.319 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.646 0.246 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.699 -0.100 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.612 -1.253 -5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.800 -2.375 -4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.330 -1.587 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.125 -0.336 -2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.315 0.609 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.294 1.051 -3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.462 -0.160 -4.148 1.00 0.00 H new ATOM 232 N TRP A 18 -6.892 -3.564 -1.639 1.00 0.00 N ATOM 233 CA TRP A 18 -5.814 -4.534 -1.480 1.00 0.00 C ATOM 234 C TRP A 18 -6.352 -5.960 -1.541 1.00 0.00 C ATOM 235 O TRP A 18 -6.730 -6.534 -0.520 1.00 0.00 O ATOM 236 CB TRP A 18 -5.087 -4.306 -0.154 1.00 0.00 C ATOM 237 CG TRP A 18 -3.932 -5.238 0.057 1.00 0.00 C ATOM 238 CD1 TRP A 18 -3.994 -6.545 0.447 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.543 -4.933 -0.108 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.727 -7.071 0.534 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.820 -6.102 0.198 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.840 -3.786 -0.487 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.430 -6.155 0.137 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.460 -3.840 -0.546 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.233 -5.017 -0.236 1.00 0.00 C ATOM 0 H TRP A 18 -7.409 -3.363 -0.783 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.110 -4.396 -2.300 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.727 -3.278 -0.117 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.795 -4.425 0.666 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.905 -7.086 0.656 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.500 -8.028 0.805 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.365 -2.874 -0.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.106 -7.062 0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.094 -2.959 -0.836 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.311 -5.027 -0.292 1.00 0.00 H new ATOM 256 N ILE A 19 -6.382 -6.525 -2.743 1.00 0.00 N ATOM 257 CA ILE A 19 -6.873 -7.884 -2.935 1.00 0.00 C ATOM 258 C ILE A 19 -5.784 -8.909 -2.633 1.00 0.00 C ATOM 259 O ILE A 19 -4.969 -9.236 -3.495 1.00 0.00 O ATOM 260 CB ILE A 19 -7.382 -8.102 -4.372 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.398 -7.020 -4.745 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.997 -9.486 -4.513 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.216 -6.477 -6.146 1.00 0.00 C ATOM 0 H ILE A 19 -6.072 -6.063 -3.598 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.702 -8.021 -2.240 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.536 -8.032 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.404 -7.429 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.320 -6.199 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.352 -9.624 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.247 -10.243 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.834 -9.584 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.970 -5.715 -6.342 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.223 -6.037 -6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.324 -7.287 -6.867 1.00 0.00 H new ATOM 275 N ASP A 20 -5.779 -9.413 -1.404 1.00 0.00 N ATOM 276 CA ASP A 20 -4.793 -10.404 -0.988 1.00 0.00 C ATOM 277 C ASP A 20 -5.198 -11.801 -1.449 1.00 0.00 C ATOM 278 O ASP A 20 -6.093 -11.955 -2.280 1.00 0.00 O ATOM 279 CB ASP A 20 -4.628 -10.383 0.532 1.00 0.00 C ATOM 280 CG ASP A 20 -3.210 -10.702 0.965 1.00 0.00 C ATOM 281 OD1 ASP A 20 -2.273 -10.070 0.435 1.00 0.00 O ATOM 282 OD2 ASP A 20 -3.039 -11.583 1.833 1.00 0.00 O ATOM 0 H ASP A 20 -6.446 -9.152 -0.678 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.840 -10.150 -1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.908 -9.400 0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.312 -11.104 0.979 1.00 0.00 H new ATOM 287 N GLU A 21 -4.532 -12.814 -0.905 1.00 0.00 N ATOM 288 CA GLU A 21 -4.822 -14.198 -1.263 1.00 0.00 C ATOM 289 C GLU A 21 -5.246 -15.000 -0.036 1.00 0.00 C ATOM 290 O GLU A 21 -6.252 -15.708 -0.061 1.00 0.00 O ATOM 291 CB GLU A 21 -3.599 -14.847 -1.913 1.00 0.00 C ATOM 292 CG GLU A 21 -3.872 -16.230 -2.480 1.00 0.00 C ATOM 293 CD GLU A 21 -2.604 -17.031 -2.702 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.635 -16.466 -3.253 1.00 0.00 O ATOM 295 OE2 GLU A 21 -2.580 -18.221 -2.327 1.00 0.00 O ATOM 0 H GLU A 21 -3.789 -12.703 -0.215 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.646 -14.197 -1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.237 -14.201 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.800 -14.918 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.527 -16.775 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.405 -16.132 -3.425 1.00 0.00 H new ATOM 383 N PRO A 27 -14.064 -15.460 -2.924 1.00 0.00 N ATOM 384 CA PRO A 27 -12.844 -15.141 -3.670 1.00 0.00 C ATOM 385 C PRO A 27 -12.133 -13.910 -3.119 1.00 0.00 C ATOM 386 O PRO A 27 -12.737 -13.087 -2.432 1.00 0.00 O ATOM 387 CB PRO A 27 -13.354 -14.873 -5.088 1.00 0.00 C ATOM 388 CG PRO A 27 -14.770 -14.447 -4.907 1.00 0.00 C ATOM 389 CD PRO A 27 -15.281 -15.206 -3.714 1.00 0.00 C ATOM 0 HA PRO A 27 -12.109 -15.944 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.767 -14.097 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.286 -15.766 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.836 -13.371 -4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.361 -14.671 -5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.012 -14.625 -3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.770 -16.135 -4.008 1.00 0.00 H new ATOM 397 N LYS A 28 -10.845 -13.790 -3.424 1.00 0.00 N ATOM 398 CA LYS A 28 -10.051 -12.658 -2.961 1.00 0.00 C ATOM 399 C LYS A 28 -10.865 -11.368 -3.004 1.00 0.00 C ATOM 400 O LYS A 28 -10.909 -10.683 -4.026 1.00 0.00 O ATOM 401 CB LYS A 28 -8.792 -12.507 -3.818 1.00 0.00 C ATOM 402 CG LYS A 28 -7.864 -13.708 -3.752 1.00 0.00 C ATOM 403 CD LYS A 28 -6.756 -13.614 -4.787 1.00 0.00 C ATOM 404 CE LYS A 28 -6.432 -14.976 -5.382 1.00 0.00 C ATOM 405 NZ LYS A 28 -6.861 -15.076 -6.804 1.00 0.00 N ATOM 0 H LYS A 28 -10.329 -14.463 -3.990 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.760 -12.849 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.086 -12.342 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.247 -11.619 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.427 -13.777 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.437 -14.621 -3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.056 -12.931 -5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.861 -13.195 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.359 -15.157 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.925 -15.754 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.623 -16.019 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.889 -14.929 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.372 -14.350 -7.366 1.00 0.00 H new ATOM 419 N LYS A 29 -11.506 -11.042 -1.887 1.00 0.00 N ATOM 420 CA LYS A 29 -12.316 -9.834 -1.794 1.00 0.00 C ATOM 421 C LYS A 29 -11.448 -8.619 -1.484 1.00 0.00 C ATOM 422 O LYS A 29 -10.366 -8.748 -0.911 1.00 0.00 O ATOM 423 CB LYS A 29 -13.390 -9.995 -0.716 1.00 0.00 C ATOM 424 CG LYS A 29 -12.962 -10.885 0.439 1.00 0.00 C ATOM 425 CD LYS A 29 -13.964 -10.836 1.581 1.00 0.00 C ATOM 426 CE LYS A 29 -13.681 -9.675 2.521 1.00 0.00 C ATOM 427 NZ LYS A 29 -14.901 -9.253 3.265 1.00 0.00 N ATOM 0 H LYS A 29 -11.480 -11.598 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.799 -9.677 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.654 -9.011 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.290 -10.410 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.858 -11.912 0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.983 -10.570 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.972 -10.742 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.929 -11.773 2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.905 -9.963 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.294 -8.831 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.666 -8.459 3.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.633 -8.954 2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.256 -10.050 3.830 1.00 0.00 H new ATOM 441 N SER A 30 -11.930 -7.440 -1.863 1.00 0.00 N ATOM 442 CA SER A 30 -11.196 -6.202 -1.627 1.00 0.00 C ATOM 443 C SER A 30 -11.255 -5.808 -0.154 1.00 0.00 C ATOM 444 O SER A 30 -12.333 -5.728 0.436 1.00 0.00 O ATOM 445 CB SER A 30 -11.763 -5.075 -2.492 1.00 0.00 C ATOM 446 OG SER A 30 -13.152 -4.906 -2.263 1.00 0.00 O ATOM 0 H SER A 30 -12.826 -7.316 -2.335 1.00 0.00 H new ATOM 0 HA SER A 30 -10.154 -6.369 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.239 -4.145 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.589 -5.298 -3.545 1.00 0.00 H new ATOM 0 HG SER A 30 -13.381 -5.248 -1.374 1.00 0.00 H new ATOM 452 N CYS A 31 -10.089 -5.562 0.433 1.00 0.00 N ATOM 453 CA CYS A 31 -10.005 -5.177 1.837 1.00 0.00 C ATOM 454 C CYS A 31 -11.004 -4.068 2.157 1.00 0.00 C ATOM 455 O CYS A 31 -11.371 -3.865 3.314 1.00 0.00 O ATOM 456 CB CYS A 31 -8.587 -4.715 2.177 1.00 0.00 C ATOM 457 SG CYS A 31 -8.503 -3.522 3.551 1.00 0.00 S ATOM 0 H CYS A 31 -9.188 -5.622 -0.042 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.250 -6.049 2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.983 -5.587 2.429 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.141 -4.264 1.291 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.700 -3.298 4.005 1.00 0.00 H new ATOM 462 N ASP A 32 -11.438 -3.355 1.124 1.00 0.00 N ATOM 463 CA ASP A 32 -12.395 -2.268 1.294 1.00 0.00 C ATOM 464 C ASP A 32 -11.847 -1.204 2.239 1.00 0.00 C ATOM 465 O ASP A 32 -11.136 -0.292 1.816 1.00 0.00 O ATOM 466 CB ASP A 32 -13.723 -2.808 1.829 1.00 0.00 C ATOM 467 CG ASP A 32 -14.602 -3.373 0.731 1.00 0.00 C ATOM 468 OD1 ASP A 32 -15.050 -2.591 -0.133 1.00 0.00 O ATOM 469 OD2 ASP A 32 -14.842 -4.599 0.737 1.00 0.00 O ATOM 0 H ASP A 32 -11.142 -3.510 0.160 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.564 -1.810 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.525 -3.585 2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.257 -2.008 2.342 1.00 0.00 H new ATOM 474 N ARG A 33 -12.182 -1.327 3.519 1.00 0.00 N ATOM 475 CA ARG A 33 -11.725 -0.374 4.523 1.00 0.00 C ATOM 476 C ARG A 33 -12.123 1.049 4.144 1.00 0.00 C ATOM 477 O ARG A 33 -12.589 1.300 3.032 1.00 0.00 O ATOM 478 CB ARG A 33 -10.207 -0.463 4.688 1.00 0.00 C ATOM 479 CG ARG A 33 -9.771 -1.336 5.853 1.00 0.00 C ATOM 480 CD ARG A 33 -9.495 -0.507 7.098 1.00 0.00 C ATOM 481 NE ARG A 33 -10.717 0.071 7.652 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.612 -0.626 8.342 1.00 0.00 C ATOM 483 NH1 ARG A 33 -11.424 -1.920 8.562 1.00 0.00 N ATOM 484 NH2 ARG A 33 -12.699 -0.029 8.814 1.00 0.00 N ATOM 0 H ARG A 33 -12.768 -2.077 3.885 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.202 -0.626 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.773 -0.855 3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.806 0.541 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.547 -2.071 6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.874 -1.891 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.016 -1.132 7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.794 0.292 6.854 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.892 1.064 7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.590 -2.383 8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.113 -2.453 9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.848 0.966 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.386 -0.565 9.344 1.00 0.00 H new ATOM 498 N THR A 34 -11.938 1.979 5.076 1.00 0.00 N ATOM 499 CA THR A 34 -12.279 3.376 4.840 1.00 0.00 C ATOM 500 C THR A 34 -11.400 4.304 5.671 1.00 0.00 C ATOM 501 O THR A 34 -11.243 4.113 6.877 1.00 0.00 O ATOM 502 CB THR A 34 -13.757 3.657 5.170 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.043 3.259 6.515 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.675 2.916 4.210 1.00 0.00 C ATOM 0 H THR A 34 -11.554 1.789 6.002 1.00 0.00 H new ATOM 0 HA THR A 34 -12.108 3.569 3.781 1.00 0.00 H new ATOM 0 HB THR A 34 -13.933 4.727 5.064 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.254 3.412 7.076 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.714 3.129 4.462 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.475 3.243 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.495 1.844 4.289 1.00 0.00 H new ATOM 512 N PHE A 35 -10.828 5.311 5.019 1.00 0.00 N ATOM 513 CA PHE A 35 -9.964 6.270 5.698 1.00 0.00 C ATOM 514 C PHE A 35 -10.372 7.702 5.364 1.00 0.00 C ATOM 515 O PHE A 35 -10.955 7.963 4.311 1.00 0.00 O ATOM 516 CB PHE A 35 -8.503 6.038 5.306 1.00 0.00 C ATOM 517 CG PHE A 35 -8.119 4.587 5.252 1.00 0.00 C ATOM 518 CD1 PHE A 35 -7.671 3.933 6.388 1.00 0.00 C ATOM 519 CD2 PHE A 35 -8.206 3.878 4.065 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.318 2.597 6.342 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.855 2.542 4.013 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.409 1.901 5.153 1.00 0.00 C ATOM 0 H PHE A 35 -10.947 5.484 4.021 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.072 6.122 6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.321 6.490 4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.858 6.550 6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.597 4.473 7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.552 4.375 3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -6.971 2.098 7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.929 2.000 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.132 0.858 5.114 1.00 0.00 H new ATOM 532 N SER A 36 -10.060 8.625 6.267 1.00 0.00 N ATOM 533 CA SER A 36 -10.398 10.030 6.071 1.00 0.00 C ATOM 534 C SER A 36 -9.152 10.847 5.740 1.00 0.00 C ATOM 535 O SER A 36 -9.245 11.982 5.270 1.00 0.00 O ATOM 536 CB SER A 36 -11.073 10.594 7.323 1.00 0.00 C ATOM 537 OG SER A 36 -12.484 10.512 7.222 1.00 0.00 O ATOM 0 H SER A 36 -9.574 8.426 7.141 1.00 0.00 H new ATOM 0 HA SER A 36 -11.090 10.098 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.735 10.044 8.201 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.775 11.633 7.464 1.00 0.00 H new ATOM 0 HG SER A 36 -12.892 10.877 8.035 1.00 0.00 H new ATOM 543 N THR A 37 -7.985 10.261 5.988 1.00 0.00 N ATOM 544 CA THR A 37 -6.720 10.933 5.717 1.00 0.00 C ATOM 545 C THR A 37 -5.841 10.098 4.793 1.00 0.00 C ATOM 546 O THR A 37 -5.797 8.873 4.902 1.00 0.00 O ATOM 547 CB THR A 37 -5.948 11.222 7.019 1.00 0.00 C ATOM 548 OG1 THR A 37 -6.141 10.151 7.950 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.407 12.531 7.641 1.00 0.00 C ATOM 0 H THR A 37 -7.890 9.323 6.376 1.00 0.00 H new ATOM 0 HA THR A 37 -6.961 11.877 5.229 1.00 0.00 H new ATOM 0 HB THR A 37 -4.889 11.306 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.633 10.333 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.848 12.714 8.559 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.232 13.348 6.941 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.471 12.472 7.870 1.00 0.00 H new ATOM 557 N MET A 38 -5.142 10.769 3.884 1.00 0.00 N ATOM 558 CA MET A 38 -4.261 10.088 2.941 1.00 0.00 C ATOM 559 C MET A 38 -3.159 9.332 3.676 1.00 0.00 C ATOM 560 O MET A 38 -2.673 8.306 3.200 1.00 0.00 O ATOM 561 CB MET A 38 -3.645 11.095 1.968 1.00 0.00 C ATOM 562 CG MET A 38 -3.231 10.481 0.640 1.00 0.00 C ATOM 563 SD MET A 38 -4.618 10.278 -0.493 1.00 0.00 S ATOM 564 CE MET A 38 -4.398 8.572 -0.995 1.00 0.00 C ATOM 0 H MET A 38 -5.168 11.783 3.780 1.00 0.00 H new ATOM 0 HA MET A 38 -4.857 9.369 2.379 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.363 11.894 1.782 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.773 11.553 2.435 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.474 11.111 0.173 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.770 9.510 0.821 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.222 8.274 -1.643 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.457 8.470 -1.535 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.381 7.932 -0.113 1.00 0.00 H new ATOM 574 N HIS A 39 -2.768 9.846 4.838 1.00 0.00 N ATOM 575 CA HIS A 39 -1.723 9.219 5.638 1.00 0.00 C ATOM 576 C HIS A 39 -2.163 7.841 6.123 1.00 0.00 C ATOM 577 O HIS A 39 -1.377 6.894 6.124 1.00 0.00 O ATOM 578 CB HIS A 39 -1.367 10.103 6.834 1.00 0.00 C ATOM 579 CG HIS A 39 -0.710 9.358 7.955 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.576 8.865 7.880 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.167 9.026 9.185 1.00 0.00 C ATOM 582 CE1 HIS A 39 0.880 8.259 9.013 1.00 0.00 C ATOM 583 NE2 HIS A 39 -0.161 8.343 9.823 1.00 0.00 N ATOM 0 H HIS A 39 -3.159 10.695 5.246 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.841 9.099 5.009 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.703 10.901 6.501 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.274 10.578 7.207 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.142 9.256 9.589 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.819 7.777 9.239 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -0.209 7.962 10.768 1.00 0.00 H new ATOM 591 N GLU A 40 -3.423 7.738 6.534 1.00 0.00 N ATOM 592 CA GLU A 40 -3.965 6.476 7.022 1.00 0.00 C ATOM 593 C GLU A 40 -3.770 5.365 5.994 1.00 0.00 C ATOM 594 O GLU A 40 -3.129 4.351 6.273 1.00 0.00 O ATOM 595 CB GLU A 40 -5.453 6.627 7.349 1.00 0.00 C ATOM 596 CG GLU A 40 -5.723 7.497 8.565 1.00 0.00 C ATOM 597 CD GLU A 40 -5.707 6.710 9.861 1.00 0.00 C ATOM 598 OE1 GLU A 40 -6.123 5.533 9.846 1.00 0.00 O ATOM 599 OE2 GLU A 40 -5.278 7.272 10.890 1.00 0.00 O ATOM 0 H GLU A 40 -4.087 8.513 6.539 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.426 6.206 7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.965 7.054 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.882 5.639 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.974 8.287 8.615 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.692 7.983 8.451 1.00 0.00 H new ATOM 606 N LEU A 41 -4.327 5.564 4.805 1.00 0.00 N ATOM 607 CA LEU A 41 -4.215 4.580 3.733 1.00 0.00 C ATOM 608 C LEU A 41 -2.777 4.089 3.593 1.00 0.00 C ATOM 609 O LEU A 41 -2.504 2.894 3.706 1.00 0.00 O ATOM 610 CB LEU A 41 -4.692 5.181 2.410 1.00 0.00 C ATOM 611 CG LEU A 41 -4.728 4.228 1.215 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.219 2.853 1.642 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.610 4.792 0.110 1.00 0.00 C ATOM 0 H LEU A 41 -4.861 6.397 4.558 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.847 3.729 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.694 5.585 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.043 6.021 2.160 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.715 4.124 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.238 2.189 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.548 2.446 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.224 2.938 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.624 4.101 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.624 4.926 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.214 5.754 -0.216 1.00 0.00 H new ATOM 625 N VAL A 42 -1.861 5.021 3.347 1.00 0.00 N ATOM 626 CA VAL A 42 -0.450 4.684 3.195 1.00 0.00 C ATOM 627 C VAL A 42 0.075 3.950 4.423 1.00 0.00 C ATOM 628 O VAL A 42 0.857 3.005 4.309 1.00 0.00 O ATOM 629 CB VAL A 42 0.405 5.943 2.958 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.859 5.565 2.724 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.141 6.745 1.786 1.00 0.00 C ATOM 0 H VAL A 42 -2.071 6.014 3.249 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.372 4.032 2.325 1.00 0.00 H new ATOM 0 HB VAL A 42 0.356 6.567 3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.447 6.467 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.243 5.037 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.931 4.919 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.475 7.631 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.124 6.131 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.166 7.048 1.999 1.00 0.00 H new ATOM 641 N THR A 43 -0.359 4.389 5.600 1.00 0.00 N ATOM 642 CA THR A 43 0.067 3.775 6.851 1.00 0.00 C ATOM 643 C THR A 43 -0.681 2.472 7.106 1.00 0.00 C ATOM 644 O THR A 43 -0.270 1.661 7.937 1.00 0.00 O ATOM 645 CB THR A 43 -0.151 4.722 8.045 1.00 0.00 C ATOM 646 OG1 THR A 43 0.913 5.678 8.113 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.222 3.941 9.349 1.00 0.00 C ATOM 0 H THR A 43 -1.007 5.169 5.713 1.00 0.00 H new ATOM 0 HA THR A 43 1.132 3.566 6.754 1.00 0.00 H new ATOM 0 HB THR A 43 -1.098 5.243 7.899 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.376 5.591 8.972 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.376 4.631 10.178 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.051 3.235 9.305 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.711 3.397 9.498 1.00 0.00 H new ATOM 655 N HIS A 44 -1.782 2.276 6.387 1.00 0.00 N ATOM 656 CA HIS A 44 -2.587 1.069 6.536 1.00 0.00 C ATOM 657 C HIS A 44 -1.955 -0.102 5.790 1.00 0.00 C ATOM 658 O HIS A 44 -1.521 -1.079 6.401 1.00 0.00 O ATOM 659 CB HIS A 44 -4.006 1.311 6.020 1.00 0.00 C ATOM 660 CG HIS A 44 -4.797 0.053 5.830 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.833 -0.317 6.660 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.699 -0.922 4.895 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.337 -1.466 6.246 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.667 -1.854 5.176 1.00 0.00 N ATOM 0 H HIS A 44 -2.137 2.937 5.696 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.631 0.820 7.596 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.533 1.959 6.720 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.953 1.844 5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.991 -0.959 4.080 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.158 -1.998 6.705 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.841 -2.707 4.645 1.00 0.00 H new ATOM 672 N VAL A 45 -1.906 0.003 4.466 1.00 0.00 N ATOM 673 CA VAL A 45 -1.326 -1.047 3.637 1.00 0.00 C ATOM 674 C VAL A 45 0.112 -1.342 4.049 1.00 0.00 C ATOM 675 O VAL A 45 0.694 -2.348 3.641 1.00 0.00 O ATOM 676 CB VAL A 45 -1.352 -0.663 2.145 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.825 -1.806 1.291 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.760 -0.274 1.721 1.00 0.00 C ATOM 0 H VAL A 45 -2.261 0.804 3.944 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.934 -1.939 3.786 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.701 0.199 1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.851 -1.517 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.201 -2.033 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.447 -2.688 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.761 -0.006 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.434 -1.115 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.096 0.578 2.312 1.00 0.00 H new ATOM 688 N THR A 46 0.682 -0.458 4.863 1.00 0.00 N ATOM 689 CA THR A 46 2.052 -0.622 5.331 1.00 0.00 C ATOM 690 C THR A 46 2.161 -1.777 6.320 1.00 0.00 C ATOM 691 O THR A 46 2.834 -2.773 6.054 1.00 0.00 O ATOM 692 CB THR A 46 2.575 0.663 6.000 1.00 0.00 C ATOM 693 OG1 THR A 46 2.874 1.647 5.004 1.00 0.00 O ATOM 694 CG2 THR A 46 3.820 0.374 6.826 1.00 0.00 C ATOM 0 H THR A 46 0.215 0.379 5.212 1.00 0.00 H new ATOM 0 HA THR A 46 2.661 -0.840 4.454 1.00 0.00 H new ATOM 0 HB THR A 46 1.798 1.044 6.663 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.129 2.279 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.172 1.296 7.289 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.581 -0.353 7.602 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.600 -0.028 6.180 1.00 0.00 H new ATOM 702 N MET A 47 1.493 -1.638 7.460 1.00 0.00 N ATOM 703 CA MET A 47 1.514 -2.672 8.488 1.00 0.00 C ATOM 704 C MET A 47 0.333 -3.625 8.325 1.00 0.00 C ATOM 705 O MET A 47 0.498 -4.844 8.370 1.00 0.00 O ATOM 706 CB MET A 47 1.483 -2.039 9.880 1.00 0.00 C ATOM 707 CG MET A 47 0.161 -2.228 10.606 1.00 0.00 C ATOM 708 SD MET A 47 0.149 -1.465 12.239 1.00 0.00 S ATOM 709 CE MET A 47 0.739 0.181 11.849 1.00 0.00 C ATOM 0 H MET A 47 0.931 -0.820 7.695 1.00 0.00 H new ATOM 0 HA MET A 47 2.437 -3.241 8.376 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.283 -2.468 10.483 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.689 -0.972 9.789 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.643 -1.803 10.005 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.045 -3.294 10.706 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.414 0.877 12.623 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.828 0.175 11.800 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.334 0.494 10.887 1.00 0.00 H new ATOM 719 N GLU A 48 -0.855 -3.061 8.136 1.00 0.00 N ATOM 720 CA GLU A 48 -2.062 -3.862 7.967 1.00 0.00 C ATOM 721 C GLU A 48 -1.848 -4.956 6.926 1.00 0.00 C ATOM 722 O GLU A 48 -2.303 -6.088 7.095 1.00 0.00 O ATOM 723 CB GLU A 48 -3.237 -2.973 7.554 1.00 0.00 C ATOM 724 CG GLU A 48 -3.424 -1.757 8.445 1.00 0.00 C ATOM 725 CD GLU A 48 -3.590 -2.126 9.907 1.00 0.00 C ATOM 726 OE1 GLU A 48 -3.922 -3.296 10.189 1.00 0.00 O ATOM 727 OE2 GLU A 48 -3.388 -1.244 10.768 1.00 0.00 O ATOM 0 H GLU A 48 -1.008 -2.053 8.096 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.291 -4.334 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.086 -2.640 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.152 -3.566 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.564 -1.096 8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.300 -1.199 8.113 1.00 0.00 H new ATOM 734 N HIS A 49 -1.150 -4.611 5.848 1.00 0.00 N ATOM 735 CA HIS A 49 -0.875 -5.564 4.778 1.00 0.00 C ATOM 736 C HIS A 49 0.616 -5.879 4.702 1.00 0.00 C ATOM 737 O HIS A 49 1.067 -6.918 5.185 1.00 0.00 O ATOM 738 CB HIS A 49 -1.360 -5.012 3.437 1.00 0.00 C ATOM 739 CG HIS A 49 -2.851 -4.911 3.336 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.704 -5.901 3.776 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.640 -3.928 2.842 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.954 -5.532 3.555 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.942 -4.339 2.990 1.00 0.00 N ATOM 0 H HIS A 49 -0.765 -3.679 5.692 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.413 -6.486 4.999 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.926 -4.025 3.281 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.992 -5.652 2.635 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -3.416 -6.780 4.205 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.308 -2.995 2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.835 -6.108 3.796 1.00 0.00 H new ATOM 751 N VAL A 50 1.377 -4.976 4.092 1.00 0.00 N ATOM 752 CA VAL A 50 2.817 -5.157 3.953 1.00 0.00 C ATOM 753 C VAL A 50 3.435 -5.663 5.252 1.00 0.00 C ATOM 754 O VAL A 50 4.487 -6.300 5.244 1.00 0.00 O ATOM 755 CB VAL A 50 3.511 -3.844 3.545 1.00 0.00 C ATOM 756 CG1 VAL A 50 4.866 -3.722 4.226 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.657 -3.768 2.032 1.00 0.00 C ATOM 0 H VAL A 50 1.020 -4.111 3.686 1.00 0.00 H new ATOM 0 HA VAL A 50 2.969 -5.898 3.169 1.00 0.00 H new ATOM 0 HB VAL A 50 2.891 -3.009 3.871 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.341 -2.788 3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.732 -3.729 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.497 -4.561 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.149 -2.834 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.255 -4.609 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.671 -3.806 1.569 1.00 0.00 H new ATOM 767 N GLY A 51 2.772 -5.375 6.368 1.00 0.00 N ATOM 768 CA GLY A 51 3.271 -5.809 7.660 1.00 0.00 C ATOM 769 C GLY A 51 4.280 -4.842 8.246 1.00 0.00 C ATOM 770 O GLY A 51 4.101 -4.345 9.357 1.00 0.00 O ATOM 0 H GLY A 51 1.899 -4.849 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.435 -5.920 8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.731 -6.792 7.557 1.00 0.00 H new ATOM 774 N GLY A 52 5.346 -4.575 7.497 1.00 0.00 N ATOM 775 CA GLY A 52 6.373 -3.663 7.967 1.00 0.00 C ATOM 776 C GLY A 52 7.768 -4.115 7.585 1.00 0.00 C ATOM 777 O GLY A 52 7.955 -4.917 6.670 1.00 0.00 O ATOM 0 H GLY A 52 5.517 -4.974 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.190 -2.671 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.307 -3.574 9.051 1.00 0.00 H new ATOM 781 N PRO A 53 8.779 -3.593 8.295 1.00 0.00 N ATOM 782 CA PRO A 53 10.183 -3.933 8.043 1.00 0.00 C ATOM 783 C PRO A 53 10.513 -5.367 8.442 1.00 0.00 C ATOM 784 O PRO A 53 11.519 -5.925 8.008 1.00 0.00 O ATOM 785 CB PRO A 53 10.951 -2.943 8.921 1.00 0.00 C ATOM 786 CG PRO A 53 10.002 -2.591 10.014 1.00 0.00 C ATOM 787 CD PRO A 53 8.630 -2.632 9.400 1.00 0.00 C ATOM 0 HA PRO A 53 10.434 -3.868 6.984 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.863 -3.390 9.317 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.248 -2.060 8.355 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.081 -3.296 10.841 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.220 -1.602 10.417 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.878 -2.959 10.118 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.321 -1.651 9.040 1.00 0.00 H new ATOM 795 N GLU A 54 9.658 -5.957 9.272 1.00 0.00 N ATOM 796 CA GLU A 54 9.861 -7.327 9.730 1.00 0.00 C ATOM 797 C GLU A 54 8.783 -8.252 9.172 1.00 0.00 C ATOM 798 O GLU A 54 7.943 -8.761 9.914 1.00 0.00 O ATOM 799 CB GLU A 54 9.856 -7.383 11.259 1.00 0.00 C ATOM 800 CG GLU A 54 11.073 -6.733 11.896 1.00 0.00 C ATOM 801 CD GLU A 54 11.617 -7.533 13.063 1.00 0.00 C ATOM 802 OE1 GLU A 54 11.746 -8.768 12.927 1.00 0.00 O ATOM 803 OE2 GLU A 54 11.914 -6.925 14.113 1.00 0.00 O ATOM 0 H GLU A 54 8.819 -5.508 9.641 1.00 0.00 H new ATOM 0 HA GLU A 54 10.831 -7.666 9.365 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.956 -6.891 11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.803 -8.425 11.576 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.854 -6.617 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.809 -5.732 12.238 1.00 0.00 H new ATOM 810 N GLN A 55 8.814 -8.464 7.860 1.00 0.00 N ATOM 811 CA GLN A 55 7.839 -9.327 7.203 1.00 0.00 C ATOM 812 C GLN A 55 8.531 -10.333 6.290 1.00 0.00 C ATOM 813 O GLN A 55 9.706 -10.180 5.959 1.00 0.00 O ATOM 814 CB GLN A 55 6.846 -8.488 6.397 1.00 0.00 C ATOM 815 CG GLN A 55 5.438 -9.062 6.381 1.00 0.00 C ATOM 816 CD GLN A 55 4.895 -9.234 4.976 1.00 0.00 C ATOM 817 OE1 GLN A 55 3.893 -8.620 4.606 1.00 0.00 O ATOM 818 NE2 GLN A 55 5.554 -10.072 4.185 1.00 0.00 N ATOM 0 H GLN A 55 9.503 -8.050 7.232 1.00 0.00 H new ATOM 0 HA GLN A 55 7.299 -9.876 7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.814 -7.480 6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.205 -8.400 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.437 -10.027 6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.775 -8.405 6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.379 -10.560 4.533 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.235 -10.228 3.229 1.00 0.00 H new ATOM 827 N ASN A 56 7.794 -11.363 5.886 1.00 0.00 N ATOM 828 CA ASN A 56 8.338 -12.396 5.011 1.00 0.00 C ATOM 829 C ASN A 56 7.714 -12.314 3.621 1.00 0.00 C ATOM 830 O ASN A 56 6.537 -12.620 3.439 1.00 0.00 O ATOM 831 CB ASN A 56 8.094 -13.782 5.611 1.00 0.00 C ATOM 832 CG ASN A 56 9.192 -14.196 6.573 1.00 0.00 C ATOM 833 OD1 ASN A 56 10.261 -13.587 6.612 1.00 0.00 O ATOM 834 ND2 ASN A 56 8.931 -15.238 7.354 1.00 0.00 N ATOM 0 H ASN A 56 6.819 -11.505 6.150 1.00 0.00 H new ATOM 0 HA ASN A 56 9.412 -12.232 4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.137 -13.786 6.133 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.022 -14.515 4.808 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.631 -15.564 8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.031 -15.713 7.287 1.00 0.00 H new ATOM 841 N ASN A 57 8.514 -11.900 2.643 1.00 0.00 N ATOM 842 CA ASN A 57 8.041 -11.779 1.269 1.00 0.00 C ATOM 843 C ASN A 57 7.273 -10.475 1.071 1.00 0.00 C ATOM 844 O ASN A 57 6.329 -10.181 1.805 1.00 0.00 O ATOM 845 CB ASN A 57 7.149 -12.969 0.908 1.00 0.00 C ATOM 846 CG ASN A 57 7.326 -13.408 -0.533 1.00 0.00 C ATOM 847 OD1 ASN A 57 7.059 -12.647 -1.463 1.00 0.00 O ATOM 848 ND2 ASN A 57 7.779 -14.641 -0.724 1.00 0.00 N ATOM 0 H ASN A 57 9.492 -11.643 2.777 1.00 0.00 H new ATOM 0 HA ASN A 57 8.910 -11.772 0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.377 -13.804 1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.106 -12.703 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.919 -14.992 -1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.987 -15.237 0.077 1.00 0.00 H new ATOM 855 N HIS A 58 7.685 -9.698 0.074 1.00 0.00 N ATOM 856 CA HIS A 58 7.036 -8.426 -0.221 1.00 0.00 C ATOM 857 C HIS A 58 6.281 -8.496 -1.545 1.00 0.00 C ATOM 858 O HIS A 58 6.886 -8.590 -2.613 1.00 0.00 O ATOM 859 CB HIS A 58 8.070 -7.301 -0.270 1.00 0.00 C ATOM 860 CG HIS A 58 9.462 -7.753 0.045 1.00 0.00 C ATOM 861 ND1 HIS A 58 9.950 -7.848 1.332 1.00 0.00 N ATOM 862 CD2 HIS A 58 10.473 -8.139 -0.768 1.00 0.00 C ATOM 863 CE1 HIS A 58 11.201 -8.271 1.296 1.00 0.00 C ATOM 864 NE2 HIS A 58 11.542 -8.456 0.033 1.00 0.00 N ATOM 0 H HIS A 58 8.465 -9.927 -0.543 1.00 0.00 H new ATOM 0 HA HIS A 58 6.321 -8.218 0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.059 -6.851 -1.263 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.781 -6.522 0.436 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.444 -8.188 -1.846 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.837 -8.437 2.153 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.452 -8.781 -0.294 1.00 0.00 H new ATOM 872 N VAL A 59 4.954 -8.451 -1.468 1.00 0.00 N ATOM 873 CA VAL A 59 4.117 -8.510 -2.659 1.00 0.00 C ATOM 874 C VAL A 59 3.105 -7.369 -2.676 1.00 0.00 C ATOM 875 O VAL A 59 2.573 -6.981 -1.636 1.00 0.00 O ATOM 876 CB VAL A 59 3.364 -9.850 -2.751 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.393 -9.839 -3.922 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.347 -11.005 -2.874 1.00 0.00 C ATOM 0 H VAL A 59 4.436 -8.374 -0.592 1.00 0.00 H new ATOM 0 HA VAL A 59 4.782 -8.416 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 59 2.789 -9.987 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.871 -10.794 -3.970 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.669 -9.036 -3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.943 -9.679 -4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.798 -11.945 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.950 -10.875 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.998 -11.024 -2.000 1.00 0.00 H new ATOM 888 N CYS A 60 2.843 -6.835 -3.864 1.00 0.00 N ATOM 889 CA CYS A 60 1.895 -5.739 -4.019 1.00 0.00 C ATOM 890 C CYS A 60 0.549 -6.250 -4.525 1.00 0.00 C ATOM 891 O CYS A 60 0.390 -6.540 -5.711 1.00 0.00 O ATOM 892 CB CYS A 60 2.450 -4.689 -4.983 1.00 0.00 C ATOM 893 SG CYS A 60 1.327 -3.286 -5.281 1.00 0.00 S ATOM 0 H CYS A 60 3.275 -7.144 -4.735 1.00 0.00 H new ATOM 0 HA CYS A 60 1.745 -5.281 -3.041 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.392 -4.309 -4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.675 -5.169 -5.935 1.00 0.00 H new ATOM 0 HG CYS A 60 1.812 -2.216 -4.723 1.00 0.00 H new ATOM 898 N TYR A 61 -0.415 -6.358 -3.618 1.00 0.00 N ATOM 899 CA TYR A 61 -1.747 -6.836 -3.972 1.00 0.00 C ATOM 900 C TYR A 61 -2.696 -5.668 -4.224 1.00 0.00 C ATOM 901 O TYR A 61 -2.899 -4.821 -3.355 1.00 0.00 O ATOM 902 CB TYR A 61 -2.303 -7.728 -2.860 1.00 0.00 C ATOM 903 CG TYR A 61 -1.721 -9.124 -2.857 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.222 -10.109 -3.700 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.671 -9.458 -2.011 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.695 -11.385 -3.699 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.136 -10.732 -2.005 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.652 -11.692 -2.850 1.00 0.00 C ATOM 909 OH TYR A 61 -0.122 -12.962 -2.848 1.00 0.00 O ATOM 0 H TYR A 61 -0.300 -6.121 -2.633 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.665 -7.418 -4.890 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.106 -7.259 -1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.386 -7.795 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.038 -9.872 -4.367 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.266 -8.709 -1.347 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.097 -12.139 -4.359 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.682 -10.975 -1.342 1.00 0.00 H new ATOM 0 HH TYR A 61 0.606 -13.012 -2.194 1.00 0.00 H new ATOM 919 N TRP A 62 -3.273 -5.633 -5.419 1.00 0.00 N ATOM 920 CA TRP A 62 -4.202 -4.570 -5.788 1.00 0.00 C ATOM 921 C TRP A 62 -5.142 -5.029 -6.897 1.00 0.00 C ATOM 922 O TRP A 62 -4.950 -6.093 -7.484 1.00 0.00 O ATOM 923 CB TRP A 62 -3.434 -3.326 -6.236 1.00 0.00 C ATOM 924 CG TRP A 62 -4.174 -2.047 -5.984 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.649 -1.176 -6.922 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.524 -1.496 -4.709 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.272 -0.117 -6.308 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.209 -0.290 -4.951 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.326 -1.905 -3.388 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.695 0.509 -3.920 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.809 -1.111 -2.365 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.488 0.085 -2.635 1.00 0.00 C ATOM 0 H TRP A 62 -3.115 -6.327 -6.149 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.799 -4.323 -4.910 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.477 -3.292 -5.716 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.215 -3.407 -7.301 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.549 -1.301 -7.990 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.710 0.671 -6.785 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.805 -2.825 -3.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.217 1.431 -4.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.661 -1.417 -1.340 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.855 0.683 -1.814 1.00 0.00 H new ATOM 943 N GLU A 63 -6.158 -4.219 -7.179 1.00 0.00 N ATOM 944 CA GLU A 63 -7.128 -4.544 -8.218 1.00 0.00 C ATOM 945 C GLU A 63 -6.589 -4.177 -9.598 1.00 0.00 C ATOM 946 O GLU A 63 -6.712 -4.949 -10.549 1.00 0.00 O ATOM 947 CB GLU A 63 -8.447 -3.814 -7.963 1.00 0.00 C ATOM 948 CG GLU A 63 -9.310 -3.662 -9.204 1.00 0.00 C ATOM 949 CD GLU A 63 -10.784 -3.878 -8.921 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.412 -2.978 -8.325 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.309 -4.947 -9.295 1.00 0.00 O ATOM 0 H GLU A 63 -6.330 -3.334 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.306 -5.619 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.011 -4.355 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.232 -2.825 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.167 -2.665 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.981 -4.375 -9.960 1.00 0.00 H new ATOM 958 N GLU A 64 -5.994 -2.993 -9.699 1.00 0.00 N ATOM 959 CA GLU A 64 -5.439 -2.523 -10.963 1.00 0.00 C ATOM 960 C GLU A 64 -3.955 -2.200 -10.819 1.00 0.00 C ATOM 961 O GLU A 64 -3.539 -1.051 -10.975 1.00 0.00 O ATOM 962 CB GLU A 64 -6.196 -1.285 -11.449 1.00 0.00 C ATOM 963 CG GLU A 64 -6.828 -0.478 -10.327 1.00 0.00 C ATOM 964 CD GLU A 64 -6.908 1.002 -10.647 1.00 0.00 C ATOM 965 OE1 GLU A 64 -7.129 1.342 -11.828 1.00 0.00 O ATOM 966 OE2 GLU A 64 -6.749 1.820 -9.717 1.00 0.00 O ATOM 0 H GLU A 64 -5.884 -2.342 -8.922 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.550 -3.320 -11.698 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.510 -0.645 -12.004 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.975 -1.596 -12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.831 -0.858 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.250 -0.618 -9.414 1.00 0.00 H new ATOM 973 N CYS A 65 -3.160 -3.222 -10.519 1.00 0.00 N ATOM 974 CA CYS A 65 -1.722 -3.049 -10.352 1.00 0.00 C ATOM 975 C CYS A 65 -0.959 -3.697 -11.504 1.00 0.00 C ATOM 976 O CYS A 65 -1.342 -4.745 -12.024 1.00 0.00 O ATOM 977 CB CYS A 65 -1.266 -3.652 -9.022 1.00 0.00 C ATOM 978 SG CYS A 65 0.493 -4.125 -8.984 1.00 0.00 S ATOM 0 H CYS A 65 -3.488 -4.179 -10.387 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.507 -1.980 -10.352 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.455 -2.932 -8.225 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.873 -4.532 -8.807 1.00 0.00 H new ATOM 0 HG CYS A 65 0.963 -3.952 -7.784 1.00 0.00 H new ATOM 983 N PRO A 66 0.148 -3.060 -11.913 1.00 0.00 N ATOM 984 CA PRO A 66 0.989 -3.556 -13.007 1.00 0.00 C ATOM 985 C PRO A 66 1.742 -4.826 -12.629 1.00 0.00 C ATOM 986 O PRO A 66 1.831 -5.765 -13.420 1.00 0.00 O ATOM 987 CB PRO A 66 1.969 -2.405 -13.251 1.00 0.00 C ATOM 988 CG PRO A 66 2.032 -1.680 -11.951 1.00 0.00 C ATOM 989 CD PRO A 66 0.664 -1.806 -11.339 1.00 0.00 C ATOM 0 HA PRO A 66 0.400 -3.826 -13.884 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.951 -2.776 -13.545 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.622 -1.752 -14.052 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.792 -2.112 -11.300 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.298 -0.633 -12.100 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.713 -1.852 -10.251 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.030 -0.957 -11.594 1.00 0.00 H new ATOM 997 N ARG A 67 2.283 -4.849 -11.415 1.00 0.00 N ATOM 998 CA ARG A 67 3.029 -6.005 -10.932 1.00 0.00 C ATOM 999 C ARG A 67 2.093 -7.176 -10.646 1.00 0.00 C ATOM 1000 O ARG A 67 2.536 -8.315 -10.505 1.00 0.00 O ATOM 1001 CB ARG A 67 3.811 -5.642 -9.668 1.00 0.00 C ATOM 1002 CG ARG A 67 4.085 -4.154 -9.527 1.00 0.00 C ATOM 1003 CD ARG A 67 5.444 -3.895 -8.896 1.00 0.00 C ATOM 1004 NE ARG A 67 6.531 -4.474 -9.680 1.00 0.00 N ATOM 1005 CZ ARG A 67 6.923 -3.998 -10.856 1.00 0.00 C ATOM 1006 NH1 ARG A 67 6.321 -2.940 -11.381 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.921 -4.580 -11.509 1.00 0.00 N ATOM 0 H ARG A 67 2.219 -4.080 -10.748 1.00 0.00 H new ATOM 0 HA ARG A 67 3.730 -6.305 -11.711 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.254 -5.984 -8.796 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.760 -6.179 -9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.042 -3.681 -10.508 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.306 -3.696 -8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.600 -2.821 -8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.461 -4.312 -7.889 1.00 0.00 H new ATOM 0 HE ARG A 67 7.016 -5.289 -9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.554 -2.489 -10.881 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.624 -2.577 -12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.387 -5.393 -11.108 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.222 -4.214 -12.412 1.00 0.00 H new ATOM 1021 N GLU A 68 0.799 -6.885 -10.562 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.198 -7.914 -10.291 1.00 0.00 C ATOM 1023 C GLU A 68 0.218 -8.776 -9.102 1.00 0.00 C ATOM 1024 O GLU A 68 -0.278 -9.887 -8.924 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.403 -8.795 -11.526 1.00 0.00 C ATOM 1026 CG GLU A 68 -0.581 -8.007 -12.813 1.00 0.00 C ATOM 1027 CD GLU A 68 -1.216 -8.829 -13.917 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -1.769 -9.906 -13.613 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -1.160 -8.394 -15.087 1.00 0.00 O ATOM 0 H GLU A 68 0.417 -5.946 -10.678 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.137 -7.418 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.453 -9.461 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.279 -9.425 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.199 -7.131 -12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.390 -7.643 -13.149 1.00 0.00 H new ATOM 1036 N GLY A 69 1.133 -8.253 -8.291 1.00 0.00 N ATOM 1037 CA GLY A 69 1.601 -8.986 -7.130 1.00 0.00 C ATOM 1038 C GLY A 69 3.020 -9.493 -7.297 1.00 0.00 C ATOM 1039 O GLY A 69 3.477 -10.345 -6.535 1.00 0.00 O ATOM 0 H GLY A 69 1.558 -7.335 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.550 -8.341 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.936 -9.830 -6.945 1.00 0.00 H new ATOM 1043 N LYS A 70 3.719 -8.969 -8.299 1.00 0.00 N ATOM 1044 CA LYS A 70 5.094 -9.373 -8.565 1.00 0.00 C ATOM 1045 C LYS A 70 5.997 -9.047 -7.380 1.00 0.00 C ATOM 1046 O LYS A 70 6.404 -7.900 -7.195 1.00 0.00 O ATOM 1047 CB LYS A 70 5.617 -8.678 -9.825 1.00 0.00 C ATOM 1048 CG LYS A 70 6.115 -9.640 -10.889 1.00 0.00 C ATOM 1049 CD LYS A 70 6.704 -8.900 -12.078 1.00 0.00 C ATOM 1050 CE LYS A 70 5.632 -8.153 -12.856 1.00 0.00 C ATOM 1051 NZ LYS A 70 5.488 -8.675 -14.244 1.00 0.00 N ATOM 0 H LYS A 70 3.355 -8.264 -8.940 1.00 0.00 H new ATOM 0 HA LYS A 70 5.105 -10.452 -8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.822 -8.063 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.428 -8.005 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.869 -10.300 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.292 -10.272 -11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.461 -8.196 -11.731 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.206 -9.609 -12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.679 -8.239 -12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.881 -7.092 -12.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.748 -8.140 -14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.390 -8.570 -14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.225 -9.681 -14.211 1.00 0.00 H new ATOM 1065 N SER A 71 6.307 -10.063 -6.581 1.00 0.00 N ATOM 1066 CA SER A 71 7.160 -9.883 -5.412 1.00 0.00 C ATOM 1067 C SER A 71 8.321 -8.945 -5.726 1.00 0.00 C ATOM 1068 O SER A 71 8.777 -8.862 -6.867 1.00 0.00 O ATOM 1069 CB SER A 71 7.696 -11.233 -4.932 1.00 0.00 C ATOM 1070 OG SER A 71 8.889 -11.579 -5.613 1.00 0.00 O ATOM 0 H SER A 71 5.980 -11.019 -6.722 1.00 0.00 H new ATOM 0 HA SER A 71 6.559 -9.437 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.885 -11.192 -3.859 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.944 -12.005 -5.094 1.00 0.00 H new ATOM 0 HG SER A 71 9.212 -12.445 -5.287 1.00 0.00 H new ATOM 1076 N PHE A 72 8.796 -8.239 -4.705 1.00 0.00 N ATOM 1077 CA PHE A 72 9.904 -7.305 -4.871 1.00 0.00 C ATOM 1078 C PHE A 72 11.216 -7.930 -4.404 1.00 0.00 C ATOM 1079 O PHE A 72 11.268 -9.111 -4.062 1.00 0.00 O ATOM 1080 CB PHE A 72 9.634 -6.017 -4.091 1.00 0.00 C ATOM 1081 CG PHE A 72 8.583 -5.146 -4.718 1.00 0.00 C ATOM 1082 CD1 PHE A 72 7.239 -5.457 -4.587 1.00 0.00 C ATOM 1083 CD2 PHE A 72 8.939 -4.018 -5.439 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.269 -4.657 -5.162 1.00 0.00 C ATOM 1085 CE2 PHE A 72 7.973 -3.214 -6.016 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.637 -3.535 -5.879 1.00 0.00 C ATOM 0 H PHE A 72 8.431 -8.296 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 72 9.991 -7.068 -5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.325 -6.273 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.562 -5.451 -4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.946 -6.334 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.983 -3.764 -5.552 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.225 -4.909 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.263 -2.336 -6.573 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.881 -2.910 -6.332 1.00 0.00 H new ATOM 1096 N LYS A 73 12.275 -7.128 -4.394 1.00 0.00 N ATOM 1097 CA LYS A 73 13.588 -7.599 -3.969 1.00 0.00 C ATOM 1098 C LYS A 73 13.937 -7.064 -2.584 1.00 0.00 C ATOM 1099 O LYS A 73 14.805 -7.605 -1.900 1.00 0.00 O ATOM 1100 CB LYS A 73 14.657 -7.169 -4.977 1.00 0.00 C ATOM 1101 CG LYS A 73 16.017 -7.799 -4.727 1.00 0.00 C ATOM 1102 CD LYS A 73 16.010 -9.284 -5.045 1.00 0.00 C ATOM 1103 CE LYS A 73 15.715 -10.118 -3.808 1.00 0.00 C ATOM 1104 NZ LYS A 73 16.798 -11.102 -3.531 1.00 0.00 N ATOM 0 H LYS A 73 12.250 -6.148 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 73 13.558 -8.688 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.324 -7.431 -5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.757 -6.084 -4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.769 -7.299 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.302 -7.650 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.262 -9.490 -5.811 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.976 -9.573 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.593 -9.460 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.771 -10.646 -3.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.559 -11.651 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.898 -11.746 -4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.694 -10.598 -3.377 1.00 0.00 H new ATOM 1118 N ALA A 74 13.253 -6.000 -2.176 1.00 0.00 N ATOM 1119 CA ALA A 74 13.488 -5.395 -0.871 1.00 0.00 C ATOM 1120 C ALA A 74 12.172 -5.058 -0.178 1.00 0.00 C ATOM 1121 O ALA A 74 11.107 -5.087 -0.795 1.00 0.00 O ATOM 1122 CB ALA A 74 14.346 -4.146 -1.015 1.00 0.00 C ATOM 0 H ALA A 74 12.532 -5.539 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 74 14.020 -6.118 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.514 -3.704 -0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.304 -4.412 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.836 -3.426 -1.654 1.00 0.00 H new ATOM 1128 N LYS A 75 12.252 -4.738 1.110 1.00 0.00 N ATOM 1129 CA LYS A 75 11.068 -4.395 1.888 1.00 0.00 C ATOM 1130 C LYS A 75 10.476 -3.069 1.423 1.00 0.00 C ATOM 1131 O LYS A 75 9.399 -3.033 0.828 1.00 0.00 O ATOM 1132 CB LYS A 75 11.417 -4.316 3.376 1.00 0.00 C ATOM 1133 CG LYS A 75 10.234 -3.961 4.260 1.00 0.00 C ATOM 1134 CD LYS A 75 10.283 -2.507 4.701 1.00 0.00 C ATOM 1135 CE LYS A 75 8.903 -1.991 5.077 1.00 0.00 C ATOM 1136 NZ LYS A 75 8.791 -0.519 4.887 1.00 0.00 N ATOM 0 H LYS A 75 13.125 -4.709 1.637 1.00 0.00 H new ATOM 0 HA LYS A 75 10.324 -5.177 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.824 -5.275 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.202 -3.573 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.306 -4.147 3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.227 -4.608 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.955 -2.407 5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.695 -1.896 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.150 -2.494 4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.693 -2.240 6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.859 -0.196 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.537 -0.041 5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.899 -0.290 3.878 1.00 0.00 H new ATOM 1150 N TYR A 76 11.188 -1.981 1.695 1.00 0.00 N ATOM 1151 CA TYR A 76 10.732 -0.652 1.304 1.00 0.00 C ATOM 1152 C TYR A 76 10.215 -0.653 -0.131 1.00 0.00 C ATOM 1153 O TYR A 76 9.184 -0.051 -0.433 1.00 0.00 O ATOM 1154 CB TYR A 76 11.868 0.362 1.448 1.00 0.00 C ATOM 1155 CG TYR A 76 13.041 0.091 0.533 1.00 0.00 C ATOM 1156 CD1 TYR A 76 13.083 0.618 -0.752 1.00 0.00 C ATOM 1157 CD2 TYR A 76 14.109 -0.692 0.954 1.00 0.00 C ATOM 1158 CE1 TYR A 76 14.152 0.372 -1.591 1.00 0.00 C ATOM 1159 CE2 TYR A 76 15.183 -0.943 0.122 1.00 0.00 C ATOM 1160 CZ TYR A 76 15.200 -0.408 -1.149 1.00 0.00 C ATOM 1161 OH TYR A 76 16.268 -0.655 -1.982 1.00 0.00 O ATOM 0 H TYR A 76 12.083 -1.993 2.184 1.00 0.00 H new ATOM 0 HA TYR A 76 9.913 -0.368 1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.481 1.360 1.243 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.216 0.361 2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 76 12.265 1.231 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.099 -1.112 1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 76 14.167 0.788 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.004 -1.555 0.465 1.00 0.00 H new ATOM 0 HH TYR A 76 16.921 -1.220 -1.518 1.00 0.00 H new ATOM 1171 N LYS A 77 10.937 -1.336 -1.013 1.00 0.00 N ATOM 1172 CA LYS A 77 10.553 -1.419 -2.417 1.00 0.00 C ATOM 1173 C LYS A 77 9.049 -1.629 -2.557 1.00 0.00 C ATOM 1174 O LYS A 77 8.425 -1.118 -3.488 1.00 0.00 O ATOM 1175 CB LYS A 77 11.304 -2.561 -3.105 1.00 0.00 C ATOM 1176 CG LYS A 77 12.453 -2.092 -3.981 1.00 0.00 C ATOM 1177 CD LYS A 77 12.258 -2.509 -5.429 1.00 0.00 C ATOM 1178 CE LYS A 77 13.357 -1.955 -6.322 1.00 0.00 C ATOM 1179 NZ LYS A 77 12.825 -0.991 -7.324 1.00 0.00 N ATOM 0 H LYS A 77 11.792 -1.841 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 77 10.817 -0.477 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.691 -3.240 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.603 -3.131 -3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.537 -1.007 -3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.389 -2.505 -3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.247 -3.597 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.289 -2.157 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.110 -1.461 -5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.855 -2.777 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.605 -0.636 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.125 -1.468 -7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.372 -0.194 -6.833 1.00 0.00 H new ATOM 1193 N LEU A 78 8.471 -2.381 -1.627 1.00 0.00 N ATOM 1194 CA LEU A 78 7.039 -2.657 -1.647 1.00 0.00 C ATOM 1195 C LEU A 78 6.238 -1.400 -1.325 1.00 0.00 C ATOM 1196 O LEU A 78 5.525 -0.870 -2.177 1.00 0.00 O ATOM 1197 CB LEU A 78 6.699 -3.763 -0.645 1.00 0.00 C ATOM 1198 CG LEU A 78 5.277 -4.320 -0.719 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.818 -4.424 -2.165 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.201 -5.678 -0.035 1.00 0.00 C ATOM 0 H LEU A 78 8.972 -2.811 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 78 6.772 -2.989 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.398 -4.586 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.865 -3.378 0.361 1.00 0.00 H new ATOM 0 HG LEU A 78 4.611 -3.633 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.804 -4.822 -2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.834 -3.435 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.486 -5.089 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.182 -6.060 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.880 -6.373 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.487 -5.575 1.012 1.00 0.00 H new ATOM 1212 N VAL A 79 6.362 -0.925 -0.089 1.00 0.00 N ATOM 1213 CA VAL A 79 5.653 0.272 0.345 1.00 0.00 C ATOM 1214 C VAL A 79 5.936 1.447 -0.585 1.00 0.00 C ATOM 1215 O VAL A 79 5.154 2.393 -0.662 1.00 0.00 O ATOM 1216 CB VAL A 79 6.042 0.665 1.783 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.600 2.089 2.086 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.442 -0.312 2.782 1.00 0.00 C ATOM 0 H VAL A 79 6.947 -1.352 0.629 1.00 0.00 H new ATOM 0 HA VAL A 79 4.589 0.037 0.315 1.00 0.00 H new ATOM 0 HB VAL A 79 7.127 0.621 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.883 2.349 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.082 2.775 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.518 2.164 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.727 -0.020 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.356 -0.302 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.813 -1.316 2.577 1.00 0.00 H new ATOM 1228 N ASN A 80 7.060 1.377 -1.291 1.00 0.00 N ATOM 1229 CA ASN A 80 7.448 2.435 -2.217 1.00 0.00 C ATOM 1230 C ASN A 80 6.563 2.421 -3.460 1.00 0.00 C ATOM 1231 O ASN A 80 6.103 3.467 -3.920 1.00 0.00 O ATOM 1232 CB ASN A 80 8.915 2.277 -2.620 1.00 0.00 C ATOM 1233 CG ASN A 80 9.865 2.812 -1.565 1.00 0.00 C ATOM 1234 OD1 ASN A 80 9.495 2.965 -0.401 1.00 0.00 O ATOM 1235 ND2 ASN A 80 11.097 3.099 -1.970 1.00 0.00 N ATOM 0 H ASN A 80 7.718 0.599 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 80 7.319 3.392 -1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.129 1.223 -2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.089 2.800 -3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.781 3.462 -1.306 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.360 2.956 -2.945 1.00 0.00 H new ATOM 1242 N HIS A 81 6.328 1.229 -3.999 1.00 0.00 N ATOM 1243 CA HIS A 81 5.498 1.078 -5.189 1.00 0.00 C ATOM 1244 C HIS A 81 4.021 1.243 -4.844 1.00 0.00 C ATOM 1245 O HIS A 81 3.241 1.760 -5.645 1.00 0.00 O ATOM 1246 CB HIS A 81 5.734 -0.289 -5.831 1.00 0.00 C ATOM 1247 CG HIS A 81 4.648 -0.703 -6.776 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.361 -0.019 -7.939 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.778 -1.738 -6.725 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.360 -0.616 -8.561 1.00 0.00 C ATOM 1251 NE2 HIS A 81 2.988 -1.662 -7.846 1.00 0.00 N ATOM 0 H HIS A 81 6.700 0.354 -3.631 1.00 0.00 H new ATOM 0 HA HIS A 81 5.777 1.857 -5.899 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.683 -0.270 -6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.826 -1.039 -5.045 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.846 0.816 -8.267 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.716 -2.485 -5.947 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.920 -0.302 -9.496 1.00 0.00 H new ATOM 1259 N ILE A 82 3.644 0.800 -3.650 1.00 0.00 N ATOM 1260 CA ILE A 82 2.261 0.899 -3.200 1.00 0.00 C ATOM 1261 C ILE A 82 1.752 2.333 -3.300 1.00 0.00 C ATOM 1262 O ILE A 82 0.615 2.572 -3.707 1.00 0.00 O ATOM 1263 CB ILE A 82 2.104 0.410 -1.748 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.398 -1.088 -1.656 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.704 0.714 -1.235 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.594 -1.580 -0.239 1.00 0.00 C ATOM 0 H ILE A 82 4.277 0.369 -2.976 1.00 0.00 H new ATOM 0 HA ILE A 82 1.670 0.259 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 82 2.822 0.940 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.577 -1.640 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.293 -1.310 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.609 0.362 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.530 1.790 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.031 0.208 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.799 -2.651 -0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.434 -1.055 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.691 -1.389 0.341 1.00 0.00 H new ATOM 1278 N ARG A 83 2.602 3.284 -2.928 1.00 0.00 N ATOM 1279 CA ARG A 83 2.238 4.695 -2.976 1.00 0.00 C ATOM 1280 C ARG A 83 1.577 5.041 -4.307 1.00 0.00 C ATOM 1281 O ARG A 83 0.527 5.683 -4.342 1.00 0.00 O ATOM 1282 CB ARG A 83 3.476 5.570 -2.767 1.00 0.00 C ATOM 1283 CG ARG A 83 4.353 5.118 -1.610 1.00 0.00 C ATOM 1284 CD ARG A 83 5.260 6.239 -1.128 1.00 0.00 C ATOM 1285 NE ARG A 83 5.803 7.019 -2.237 1.00 0.00 N ATOM 1286 CZ ARG A 83 6.897 7.766 -2.143 1.00 0.00 C ATOM 1287 NH1 ARG A 83 7.562 7.834 -0.998 1.00 0.00 N ATOM 1288 NH2 ARG A 83 7.329 8.447 -3.197 1.00 0.00 N ATOM 0 H ARG A 83 3.547 3.103 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 83 1.525 4.888 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.068 5.571 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.159 6.598 -2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.725 4.778 -0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.959 4.267 -1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.701 6.896 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.079 5.817 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 83 5.315 6.988 -3.132 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.234 7.312 -0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.402 8.409 -0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.821 8.397 -4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.169 9.021 -3.124 1.00 0.00 H new ATOM 1302 N VAL A 84 2.199 4.611 -5.400 1.00 0.00 N ATOM 1303 CA VAL A 84 1.671 4.874 -6.734 1.00 0.00 C ATOM 1304 C VAL A 84 0.188 4.528 -6.816 1.00 0.00 C ATOM 1305 O VAL A 84 -0.572 5.172 -7.540 1.00 0.00 O ATOM 1306 CB VAL A 84 2.434 4.076 -7.807 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.807 2.703 -7.998 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.465 4.844 -9.120 1.00 0.00 C ATOM 0 H VAL A 84 3.069 4.079 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 84 1.803 5.939 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 84 3.461 3.936 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.360 2.153 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.842 2.153 -7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.770 2.817 -8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.008 4.265 -9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.445 5.016 -9.465 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.964 5.802 -8.970 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.218 3.506 -6.068 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.611 3.074 -6.055 1.00 0.00 C ATOM 1320 C HIS A 85 -2.450 3.973 -5.152 1.00 0.00 C ATOM 1321 O HIS A 85 -3.459 4.533 -5.580 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.712 1.622 -5.587 1.00 0.00 C ATOM 1323 CG HIS A 85 -0.987 0.655 -6.472 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.632 0.946 -7.772 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.549 -0.603 -6.236 1.00 0.00 C ATOM 1326 CE1 HIS A 85 -0.009 -0.093 -8.298 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.056 -1.046 -7.386 1.00 0.00 N ATOM 0 H HIS A 85 0.398 2.962 -5.464 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.999 3.147 -7.071 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.312 1.546 -4.576 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.763 1.338 -5.536 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.655 -1.156 -5.314 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.381 -0.153 -9.303 1.00 0.00 H new ATOM 0 HE2 HIS A 85 0.486 -1.962 -7.515 1.00 0.00 H new ATOM 1335 N THR A 86 -2.026 4.105 -3.899 1.00 0.00 N ATOM 1336 CA THR A 86 -2.739 4.933 -2.934 1.00 0.00 C ATOM 1337 C THR A 86 -3.159 6.261 -3.554 1.00 0.00 C ATOM 1338 O THR A 86 -4.254 6.759 -3.296 1.00 0.00 O ATOM 1339 CB THR A 86 -1.878 5.211 -1.688 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.601 5.728 -2.079 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.688 3.944 -0.867 1.00 0.00 C ATOM 0 H THR A 86 -1.192 3.649 -3.529 1.00 0.00 H new ATOM 0 HA THR A 86 -3.628 4.377 -2.636 1.00 0.00 H new ATOM 0 HB THR A 86 -2.395 5.949 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.513 5.679 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.077 4.166 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.660 3.570 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.191 3.188 -1.475 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.282 6.830 -4.375 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.581 8.095 -5.019 1.00 0.00 C ATOM 1351 C GLY A 87 -2.082 9.284 -4.222 1.00 0.00 C ATOM 1352 O GLY A 87 -2.540 10.409 -4.422 1.00 0.00 O ATOM 0 H GLY A 87 -1.369 6.437 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.128 8.110 -6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.658 8.182 -5.159 1.00 0.00 H new ATOM 1356 N GLU A 88 -1.142 9.035 -3.316 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.584 10.094 -2.484 1.00 0.00 C ATOM 1358 C GLU A 88 0.504 10.858 -3.234 1.00 0.00 C ATOM 1359 O GLU A 88 0.511 10.904 -4.464 1.00 0.00 O ATOM 1360 CB GLU A 88 -0.012 9.510 -1.190 1.00 0.00 C ATOM 1361 CG GLU A 88 -0.116 10.449 0.000 1.00 0.00 C ATOM 1362 CD GLU A 88 1.212 10.649 0.703 1.00 0.00 C ATOM 1363 OE1 GLU A 88 1.682 9.700 1.365 1.00 0.00 O ATOM 1364 OE2 GLU A 88 1.782 11.754 0.591 1.00 0.00 O ATOM 0 H GLU A 88 -0.751 8.110 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.388 10.788 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.536 8.583 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.035 9.253 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.494 11.415 -0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.842 10.052 0.709 1.00 0.00 H new