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= 0.0474 USER MOD Set 1.2: A 65 CYS SG : rot 151:sc= -1.51 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -2.36 K(o=-6,f=-9.3!) USER MOD Set 1.4: A 85 HIS : no HD1:sc= -2.18 K(o=-6,f=-11!) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -2.3! K(o=-2.3!,f=-0.88) USER MOD Set 2.2: A 43 THR OG1 : rot -179:sc=0.000417 USER MOD Set 3.1: A 16 CYS SG : rot -114:sc= -1.16 USER MOD Set 3.2: A 31 CYS SG : rot 2:sc= 0.713! USER MOD Set 3.3: A 44 HIS : no HD1:sc= -4.74! C(o=-13!,f=-13!) USER MOD Set 3.4: A 49 HIS : no HE2:sc= -7.97! C(o=-13!,f=-15!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -132:sc= -0.0216 (180deg=-0.79) USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= 0.36 (180deg=-1.22) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00654 USER MOD Single : A 34 THR OG1 : rot 41:sc= 0.378 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= -3.63 (180deg=-3.63) USER MOD Single : A 46 THR OG1 : rot 76:sc= 1.24 USER MOD Single : A 47 MET CE :methyl 156:sc= -0.193 (180deg=-0.861) USER MOD Single : A 55 GLN : amide:sc= -1.98 X(o=-2,f=-2.5!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 57 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.044) USER MOD Single : A 58 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-8.3!) USER MOD Single : A 61 TYR OH : rot -26:sc= 0.598 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -70:sc= 0.981 USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0891) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -2.48! C(o=-2.5!,f=-4.4!) USER MOD Single : A 86 THR OG1 : rot -4:sc= 0.584 USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 13 -13.840 9.600 0.874 1.00 0.00 N ATOM 156 CA GLU A 13 -13.402 8.460 1.670 1.00 0.00 C ATOM 157 C GLU A 13 -12.464 7.563 0.866 1.00 0.00 C ATOM 158 O GLU A 13 -12.857 6.986 -0.149 1.00 0.00 O ATOM 159 CB GLU A 13 -14.609 7.652 2.151 1.00 0.00 C ATOM 160 CG GLU A 13 -15.935 8.153 1.603 1.00 0.00 C ATOM 161 CD GLU A 13 -17.079 7.198 1.881 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.656 7.270 2.987 1.00 0.00 O ATOM 163 OE2 GLU A 13 -17.398 6.379 0.994 1.00 0.00 O ATOM 0 HA GLU A 13 -12.860 8.841 2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.476 6.610 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.642 7.678 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.162 9.124 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.846 8.304 0.527 1.00 0.00 H new ATOM 170 N LEU A 14 -11.223 7.452 1.326 1.00 0.00 N ATOM 171 CA LEU A 14 -10.228 6.627 0.651 1.00 0.00 C ATOM 172 C LEU A 14 -10.430 5.151 0.979 1.00 0.00 C ATOM 173 O LEU A 14 -10.635 4.785 2.137 1.00 0.00 O ATOM 174 CB LEU A 14 -8.818 7.062 1.054 1.00 0.00 C ATOM 175 CG LEU A 14 -8.505 8.551 0.902 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.818 9.082 2.150 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.643 8.792 -0.328 1.00 0.00 C ATOM 0 H LEU A 14 -10.882 7.923 2.164 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.350 6.761 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.657 6.782 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.101 6.498 0.457 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.444 9.089 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.603 10.143 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.471 8.944 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.886 8.540 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.430 9.857 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.707 8.242 -0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.173 8.450 -1.217 1.00 0.00 H new ATOM 189 N SER A 15 -10.369 4.308 -0.046 1.00 0.00 N ATOM 190 CA SER A 15 -10.547 2.872 0.133 1.00 0.00 C ATOM 191 C SER A 15 -9.269 2.117 -0.221 1.00 0.00 C ATOM 192 O SER A 15 -8.544 2.498 -1.141 1.00 0.00 O ATOM 193 CB SER A 15 -11.706 2.369 -0.730 1.00 0.00 C ATOM 194 OG SER A 15 -12.819 3.241 -0.648 1.00 0.00 O ATOM 0 H SER A 15 -10.198 4.595 -1.010 1.00 0.00 H new ATOM 0 HA SER A 15 -10.778 2.688 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.381 2.285 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.998 1.370 -0.406 1.00 0.00 H new ATOM 0 HG SER A 15 -13.545 2.898 -1.210 1.00 0.00 H new ATOM 200 N CYS A 16 -9.000 1.045 0.516 1.00 0.00 N ATOM 201 CA CYS A 16 -7.810 0.235 0.282 1.00 0.00 C ATOM 202 C CYS A 16 -8.143 -0.990 -0.564 1.00 0.00 C ATOM 203 O CYS A 16 -8.532 -2.034 -0.039 1.00 0.00 O ATOM 204 CB CYS A 16 -7.195 -0.202 1.613 1.00 0.00 C ATOM 205 SG CYS A 16 -6.027 -1.592 1.471 1.00 0.00 S ATOM 0 H CYS A 16 -9.590 0.717 1.281 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.088 0.844 -0.262 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.679 0.648 2.059 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.996 -0.483 2.296 1.00 0.00 H new ATOM 0 HG CYS A 16 -6.516 -2.633 2.077 1.00 0.00 H new ATOM 210 N LYS A 17 -7.988 -0.856 -1.877 1.00 0.00 N ATOM 211 CA LYS A 17 -8.270 -1.952 -2.797 1.00 0.00 C ATOM 212 C LYS A 17 -7.130 -2.965 -2.802 1.00 0.00 C ATOM 213 O LYS A 17 -6.531 -3.234 -3.843 1.00 0.00 O ATOM 214 CB LYS A 17 -8.493 -1.412 -4.211 1.00 0.00 C ATOM 215 CG LYS A 17 -9.632 -0.411 -4.308 1.00 0.00 C ATOM 216 CD LYS A 17 -10.974 -1.065 -4.025 1.00 0.00 C ATOM 217 CE LYS A 17 -12.124 -0.238 -4.580 1.00 0.00 C ATOM 218 NZ LYS A 17 -12.640 0.736 -3.579 1.00 0.00 N ATOM 0 H LYS A 17 -7.668 0.001 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.177 -2.454 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.575 -0.939 -4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.696 -2.247 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.465 0.401 -3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.645 0.032 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.995 -2.062 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.100 -1.190 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.791 0.297 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.931 -0.901 -4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.678 0.677 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.245 0.514 -2.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.358 1.699 -3.854 1.00 0.00 H new ATOM 232 N TRP A 18 -6.837 -3.525 -1.634 1.00 0.00 N ATOM 233 CA TRP A 18 -5.770 -4.511 -1.505 1.00 0.00 C ATOM 234 C TRP A 18 -6.334 -5.927 -1.502 1.00 0.00 C ATOM 235 O TRP A 18 -6.815 -6.411 -0.477 1.00 0.00 O ATOM 236 CB TRP A 18 -4.972 -4.264 -0.223 1.00 0.00 C ATOM 237 CG TRP A 18 -3.901 -5.284 0.015 1.00 0.00 C ATOM 238 CD1 TRP A 18 -4.073 -6.568 0.448 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.492 -5.105 -0.165 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.855 -7.197 0.548 1.00 0.00 N ATOM 241 CE2 TRP A 18 -1.870 -6.322 0.177 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.695 -4.036 -0.584 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.490 -6.495 0.113 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.326 -4.210 -0.646 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.266 -5.432 -0.300 1.00 0.00 C ATOM 0 H TRP A 18 -7.323 -3.313 -0.763 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.107 -4.406 -2.364 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.517 -3.275 -0.271 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.655 -4.260 0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.026 -7.022 0.678 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.709 -8.160 0.850 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.142 -3.091 -0.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.032 -7.436 0.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.299 -3.390 -0.967 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.339 -5.537 -0.360 1.00 0.00 H new ATOM 256 N ILE A 19 -6.273 -6.585 -2.655 1.00 0.00 N ATOM 257 CA ILE A 19 -6.777 -7.947 -2.784 1.00 0.00 C ATOM 258 C ILE A 19 -5.684 -8.968 -2.489 1.00 0.00 C ATOM 259 O ILE A 19 -5.000 -9.441 -3.398 1.00 0.00 O ATOM 260 CB ILE A 19 -7.341 -8.207 -4.193 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.447 -7.201 -4.517 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.866 -9.632 -4.299 1.00 0.00 C ATOM 263 CD1 ILE A 19 -8.304 -6.566 -5.883 1.00 0.00 C ATOM 0 H ILE A 19 -5.880 -6.197 -3.513 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.579 -8.057 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.537 -8.081 -4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.413 -7.703 -4.458 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.448 -6.418 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.261 -9.801 -5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.055 -10.334 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.658 -9.783 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.122 -5.864 -6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.354 -6.035 -5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.333 -7.341 -6.649 1.00 0.00 H new ATOM 275 N ASP A 20 -5.525 -9.306 -1.214 1.00 0.00 N ATOM 276 CA ASP A 20 -4.516 -10.274 -0.800 1.00 0.00 C ATOM 277 C ASP A 20 -4.757 -11.627 -1.461 1.00 0.00 C ATOM 278 O ASP A 20 -5.395 -11.710 -2.510 1.00 0.00 O ATOM 279 CB ASP A 20 -4.522 -10.428 0.722 1.00 0.00 C ATOM 280 CG ASP A 20 -3.136 -10.295 1.323 1.00 0.00 C ATOM 281 OD1 ASP A 20 -2.164 -10.738 0.676 1.00 0.00 O ATOM 282 OD2 ASP A 20 -3.024 -9.748 2.439 1.00 0.00 O ATOM 0 H ASP A 20 -6.082 -8.924 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.541 -9.904 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.178 -9.674 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.937 -11.401 0.984 1.00 0.00 H new ATOM 287 N GLU A 21 -4.241 -12.683 -0.841 1.00 0.00 N ATOM 288 CA GLU A 21 -4.399 -14.032 -1.372 1.00 0.00 C ATOM 289 C GLU A 21 -4.568 -15.045 -0.243 1.00 0.00 C ATOM 290 O GLU A 21 -5.537 -15.803 -0.215 1.00 0.00 O ATOM 291 CB GLU A 21 -3.192 -14.410 -2.234 1.00 0.00 C ATOM 292 CG GLU A 21 -2.949 -15.907 -2.319 1.00 0.00 C ATOM 293 CD GLU A 21 -2.222 -16.309 -3.587 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.340 -15.546 -4.032 1.00 0.00 O ATOM 295 OE2 GLU A 21 -2.535 -17.387 -4.135 1.00 0.00 O ATOM 0 H GLU A 21 -3.710 -12.631 0.029 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.297 -14.048 -1.990 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.337 -14.016 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.302 -13.929 -1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.367 -16.226 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.904 -16.430 -2.271 1.00 0.00 H new ATOM 383 N PRO A 27 -13.848 -15.800 -1.300 1.00 0.00 N ATOM 384 CA PRO A 27 -12.659 -15.825 -2.157 1.00 0.00 C ATOM 385 C PRO A 27 -11.866 -14.525 -2.087 1.00 0.00 C ATOM 386 O PRO A 27 -12.347 -13.519 -1.564 1.00 0.00 O ATOM 387 CB PRO A 27 -13.238 -16.025 -3.560 1.00 0.00 C ATOM 388 CG PRO A 27 -14.622 -15.479 -3.480 1.00 0.00 C ATOM 389 CD PRO A 27 -15.096 -15.756 -2.080 1.00 0.00 C ATOM 0 HA PRO A 27 -11.956 -16.602 -1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.648 -15.499 -4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.244 -17.079 -3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.632 -14.410 -3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.272 -15.955 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.767 -14.976 -1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -15.641 -16.698 -2.019 1.00 0.00 H new ATOM 397 N LYS A 28 -10.649 -14.551 -2.619 1.00 0.00 N ATOM 398 CA LYS A 28 -9.788 -13.373 -2.619 1.00 0.00 C ATOM 399 C LYS A 28 -10.588 -12.115 -2.944 1.00 0.00 C ATOM 400 O LYS A 28 -10.866 -11.827 -4.108 1.00 0.00 O ATOM 401 CB LYS A 28 -8.655 -13.545 -3.633 1.00 0.00 C ATOM 402 CG LYS A 28 -7.752 -14.732 -3.341 1.00 0.00 C ATOM 403 CD LYS A 28 -6.779 -14.986 -4.479 1.00 0.00 C ATOM 404 CE LYS A 28 -6.479 -16.468 -4.636 1.00 0.00 C ATOM 405 NZ LYS A 28 -5.085 -16.706 -5.103 1.00 0.00 N ATOM 0 H LYS A 28 -10.236 -15.375 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.362 -13.264 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.084 -13.662 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.053 -12.637 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.197 -14.550 -2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.360 -15.621 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.195 -14.598 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.852 -14.444 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.634 -16.973 -3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.180 -16.907 -5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.100 -17.328 -5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.644 -15.799 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.537 -17.158 -4.343 1.00 0.00 H new ATOM 419 N LYS A 29 -10.953 -11.369 -1.907 1.00 0.00 N ATOM 420 CA LYS A 29 -11.718 -10.139 -2.081 1.00 0.00 C ATOM 421 C LYS A 29 -10.909 -8.927 -1.631 1.00 0.00 C ATOM 422 O LYS A 29 -9.990 -9.048 -0.821 1.00 0.00 O ATOM 423 CB LYS A 29 -13.027 -10.213 -1.292 1.00 0.00 C ATOM 424 CG LYS A 29 -12.829 -10.464 0.193 1.00 0.00 C ATOM 425 CD LYS A 29 -12.852 -9.167 0.985 1.00 0.00 C ATOM 426 CE LYS A 29 -14.212 -8.926 1.621 1.00 0.00 C ATOM 427 NZ LYS A 29 -15.173 -8.315 0.661 1.00 0.00 N ATOM 0 H LYS A 29 -10.732 -11.594 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.945 -10.029 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.574 -9.280 -1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.647 -11.008 -1.707 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.612 -11.129 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.878 -10.973 0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.087 -9.200 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.604 -8.334 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.615 -9.871 1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.098 -8.273 2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.088 -8.167 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.801 -7.401 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.302 -8.950 -0.153 1.00 0.00 H new ATOM 441 N SER A 30 -11.257 -7.759 -2.161 1.00 0.00 N ATOM 442 CA SER A 30 -10.562 -6.525 -1.816 1.00 0.00 C ATOM 443 C SER A 30 -10.680 -6.234 -0.323 1.00 0.00 C ATOM 444 O SER A 30 -11.783 -6.134 0.216 1.00 0.00 O ATOM 445 CB SER A 30 -11.127 -5.354 -2.622 1.00 0.00 C ATOM 446 OG SER A 30 -11.370 -5.730 -3.967 1.00 0.00 O ATOM 0 H SER A 30 -12.017 -7.642 -2.831 1.00 0.00 H new ATOM 0 HA SER A 30 -9.507 -6.650 -2.062 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.054 -5.008 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.427 -4.519 -2.595 1.00 0.00 H new ATOM 0 HG SER A 30 -11.732 -4.965 -4.460 1.00 0.00 H new ATOM 452 N CYS A 31 -9.537 -6.098 0.339 1.00 0.00 N ATOM 453 CA CYS A 31 -9.510 -5.818 1.770 1.00 0.00 C ATOM 454 C CYS A 31 -10.570 -4.786 2.143 1.00 0.00 C ATOM 455 O CYS A 31 -11.217 -4.894 3.184 1.00 0.00 O ATOM 456 CB CYS A 31 -8.125 -5.317 2.187 1.00 0.00 C ATOM 457 SG CYS A 31 -8.161 -3.933 3.371 1.00 0.00 S ATOM 0 H CYS A 31 -8.616 -6.177 -0.092 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.729 -6.745 2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.569 -6.144 2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.580 -5.005 1.296 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.394 -3.648 3.667 1.00 0.00 H new ATOM 462 N ASP A 32 -10.742 -3.787 1.285 1.00 0.00 N ATOM 463 CA ASP A 32 -11.724 -2.735 1.522 1.00 0.00 C ATOM 464 C ASP A 32 -11.408 -1.976 2.807 1.00 0.00 C ATOM 465 O ASP A 32 -10.803 -2.523 3.730 1.00 0.00 O ATOM 466 CB ASP A 32 -13.131 -3.331 1.600 1.00 0.00 C ATOM 467 CG ASP A 32 -14.183 -2.288 1.923 1.00 0.00 C ATOM 468 OD1 ASP A 32 -13.944 -1.096 1.640 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.246 -2.665 2.461 1.00 0.00 O ATOM 0 H ASP A 32 -10.214 -3.683 0.418 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.679 -2.035 0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.374 -3.807 0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.151 -4.111 2.361 1.00 0.00 H new ATOM 474 N ARG A 33 -11.820 -0.714 2.859 1.00 0.00 N ATOM 475 CA ARG A 33 -11.578 0.121 4.030 1.00 0.00 C ATOM 476 C ARG A 33 -12.012 1.560 3.770 1.00 0.00 C ATOM 477 O ARG A 33 -12.391 1.915 2.653 1.00 0.00 O ATOM 478 CB ARG A 33 -10.097 0.085 4.411 1.00 0.00 C ATOM 479 CG ARG A 33 -9.824 -0.626 5.727 1.00 0.00 C ATOM 480 CD ARG A 33 -9.892 0.335 6.904 1.00 0.00 C ATOM 481 NE ARG A 33 -11.228 0.387 7.491 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.600 1.288 8.394 1.00 0.00 C ATOM 483 NH1 ARG A 33 -10.740 2.208 8.810 1.00 0.00 N ATOM 484 NH2 ARG A 33 -12.834 1.270 8.882 1.00 0.00 N ATOM 0 H ARG A 33 -12.323 -0.247 2.104 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.169 -0.275 4.856 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.538 -0.411 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.722 1.106 4.475 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.551 -1.426 5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.839 -1.092 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.174 0.028 7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.602 1.333 6.575 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.913 -0.306 7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.791 2.225 8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.028 2.899 9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.498 0.564 8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.118 1.962 9.575 1.00 0.00 H new ATOM 498 N THR A 34 -11.955 2.387 4.810 1.00 0.00 N ATOM 499 CA THR A 34 -12.344 3.787 4.695 1.00 0.00 C ATOM 500 C THR A 34 -11.459 4.676 5.562 1.00 0.00 C ATOM 501 O THR A 34 -11.480 4.582 6.789 1.00 0.00 O ATOM 502 CB THR A 34 -13.815 3.996 5.099 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.055 3.424 6.390 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.751 3.368 4.078 1.00 0.00 C ATOM 0 H THR A 34 -11.643 2.111 5.741 1.00 0.00 H new ATOM 0 HA THR A 34 -12.220 4.065 3.648 1.00 0.00 H new ATOM 0 HB THR A 34 -14.010 5.068 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.296 3.617 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.785 3.528 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.586 3.827 3.103 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.554 2.298 4.013 1.00 0.00 H new ATOM 512 N PHE A 35 -10.682 5.540 4.916 1.00 0.00 N ATOM 513 CA PHE A 35 -9.790 6.446 5.629 1.00 0.00 C ATOM 514 C PHE A 35 -10.095 7.899 5.276 1.00 0.00 C ATOM 515 O PHE A 35 -10.364 8.225 4.120 1.00 0.00 O ATOM 516 CB PHE A 35 -8.331 6.125 5.297 1.00 0.00 C ATOM 517 CG PHE A 35 -8.020 4.656 5.320 1.00 0.00 C ATOM 518 CD1 PHE A 35 -7.673 4.026 6.505 1.00 0.00 C ATOM 519 CD2 PHE A 35 -8.076 3.904 4.158 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.386 2.675 6.529 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.790 2.551 4.176 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.446 1.936 5.363 1.00 0.00 C ATOM 0 H PHE A 35 -10.653 5.631 3.901 1.00 0.00 H new ATOM 0 HA PHE A 35 -9.951 6.308 6.698 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.095 6.523 4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.684 6.636 6.009 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.627 4.598 7.420 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.346 4.380 3.227 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.115 2.197 7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.836 1.976 3.263 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.224 0.879 5.380 1.00 0.00 H new ATOM 532 N SER A 36 -10.053 8.767 6.282 1.00 0.00 N ATOM 533 CA SER A 36 -10.330 10.184 6.081 1.00 0.00 C ATOM 534 C SER A 36 -9.066 10.931 5.665 1.00 0.00 C ATOM 535 O SER A 36 -9.125 11.911 4.922 1.00 0.00 O ATOM 536 CB SER A 36 -10.902 10.801 7.359 1.00 0.00 C ATOM 537 OG SER A 36 -12.284 10.515 7.488 1.00 0.00 O ATOM 0 H SER A 36 -9.830 8.513 7.244 1.00 0.00 H new ATOM 0 HA SER A 36 -11.065 10.274 5.282 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.365 10.415 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.750 11.880 7.345 1.00 0.00 H new ATOM 0 HG SER A 36 -12.626 10.918 8.313 1.00 0.00 H new ATOM 543 N THR A 37 -7.921 10.459 6.150 1.00 0.00 N ATOM 544 CA THR A 37 -6.642 11.081 5.831 1.00 0.00 C ATOM 545 C THR A 37 -5.812 10.191 4.913 1.00 0.00 C ATOM 546 O THR A 37 -5.812 8.969 5.051 1.00 0.00 O ATOM 547 CB THR A 37 -5.831 11.383 7.105 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.432 10.159 7.733 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.647 12.217 8.082 1.00 0.00 C ATOM 0 H THR A 37 -7.854 9.648 6.765 1.00 0.00 H new ATOM 0 HA THR A 37 -6.865 12.018 5.320 1.00 0.00 H new ATOM 0 HB THR A 37 -4.945 11.951 6.819 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.915 10.359 8.541 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.053 12.417 8.974 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.925 13.160 7.612 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.548 11.672 8.361 1.00 0.00 H new ATOM 557 N MET A 38 -5.105 10.813 3.975 1.00 0.00 N ATOM 558 CA MET A 38 -4.269 10.077 3.034 1.00 0.00 C ATOM 559 C MET A 38 -3.161 9.325 3.765 1.00 0.00 C ATOM 560 O MET A 38 -2.682 8.293 3.294 1.00 0.00 O ATOM 561 CB MET A 38 -3.660 11.030 2.004 1.00 0.00 C ATOM 562 CG MET A 38 -3.293 10.355 0.693 1.00 0.00 C ATOM 563 SD MET A 38 -4.723 10.077 -0.370 1.00 0.00 S ATOM 564 CE MET A 38 -4.360 8.441 -1.003 1.00 0.00 C ATOM 0 H MET A 38 -5.094 11.825 3.846 1.00 0.00 H new ATOM 0 HA MET A 38 -4.899 9.352 2.519 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.367 11.835 1.803 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.767 11.489 2.429 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.566 10.970 0.163 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.810 9.401 0.903 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.156 8.127 -1.679 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.413 8.461 -1.542 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.290 7.737 -0.174 1.00 0.00 H new ATOM 574 N HIS A 39 -2.757 9.849 4.918 1.00 0.00 N ATOM 575 CA HIS A 39 -1.705 9.227 5.714 1.00 0.00 C ATOM 576 C HIS A 39 -2.131 7.841 6.189 1.00 0.00 C ATOM 577 O HIS A 39 -1.323 6.913 6.227 1.00 0.00 O ATOM 578 CB HIS A 39 -1.359 10.106 6.916 1.00 0.00 C ATOM 579 CG HIS A 39 -0.819 9.339 8.084 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.479 9.464 8.532 1.00 0.00 N ATOM 581 CD2 HIS A 39 -1.411 8.433 8.898 1.00 0.00 C ATOM 582 CE1 HIS A 39 0.663 8.668 9.570 1.00 0.00 C ATOM 583 NE2 HIS A 39 -0.469 8.032 9.813 1.00 0.00 N ATOM 0 H HIS A 39 -3.142 10.703 5.322 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.822 9.121 5.084 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.625 10.852 6.611 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.252 10.647 7.229 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.433 8.090 8.839 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.582 8.556 10.125 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -0.619 7.353 10.559 1.00 0.00 H new ATOM 591 N GLU A 40 -3.404 7.709 6.550 1.00 0.00 N ATOM 592 CA GLU A 40 -3.935 6.436 7.023 1.00 0.00 C ATOM 593 C GLU A 40 -3.710 5.335 5.991 1.00 0.00 C ATOM 594 O GLU A 40 -2.940 4.401 6.220 1.00 0.00 O ATOM 595 CB GLU A 40 -5.428 6.564 7.331 1.00 0.00 C ATOM 596 CG GLU A 40 -5.731 6.745 8.809 1.00 0.00 C ATOM 597 CD GLU A 40 -4.935 5.800 9.688 1.00 0.00 C ATOM 598 OE1 GLU A 40 -5.036 4.572 9.481 1.00 0.00 O ATOM 599 OE2 GLU A 40 -4.213 6.287 10.582 1.00 0.00 O ATOM 0 H GLU A 40 -4.086 8.467 6.524 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.404 6.167 7.936 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.833 7.412 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.943 5.674 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.513 7.773 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.795 6.584 8.980 1.00 0.00 H new ATOM 606 N LEU A 41 -4.387 5.452 4.854 1.00 0.00 N ATOM 607 CA LEU A 41 -4.263 4.467 3.785 1.00 0.00 C ATOM 608 C LEU A 41 -2.813 4.021 3.621 1.00 0.00 C ATOM 609 O LEU A 41 -2.503 2.833 3.712 1.00 0.00 O ATOM 610 CB LEU A 41 -4.782 5.046 2.468 1.00 0.00 C ATOM 611 CG LEU A 41 -4.824 4.082 1.281 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.411 2.743 1.701 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.626 4.682 0.136 1.00 0.00 C ATOM 0 H LEU A 41 -5.027 6.219 4.649 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.863 3.598 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.789 5.430 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.157 5.897 2.197 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.804 3.916 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.433 2.070 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.796 2.307 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.425 2.891 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.646 3.983 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.645 4.878 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.163 5.616 -0.183 1.00 0.00 H new ATOM 625 N VAL A 42 -1.927 4.983 3.380 1.00 0.00 N ATOM 626 CA VAL A 42 -0.510 4.691 3.206 1.00 0.00 C ATOM 627 C VAL A 42 0.050 3.947 4.413 1.00 0.00 C ATOM 628 O VAL A 42 0.875 3.043 4.272 1.00 0.00 O ATOM 629 CB VAL A 42 0.306 5.979 2.987 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.775 5.650 2.770 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.251 6.769 1.813 1.00 0.00 C ATOM 0 H VAL A 42 -2.167 5.971 3.301 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.423 4.060 2.321 1.00 0.00 H new ATOM 0 HB VAL A 42 0.225 6.596 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.336 6.572 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.164 5.129 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.879 5.012 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.337 7.676 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.202 6.161 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.288 7.037 2.014 1.00 0.00 H new ATOM 641 N THR A 43 -0.404 4.332 5.602 1.00 0.00 N ATOM 642 CA THR A 43 0.051 3.702 6.835 1.00 0.00 C ATOM 643 C THR A 43 -0.670 2.382 7.076 1.00 0.00 C ATOM 644 O THR A 43 -0.269 1.590 7.930 1.00 0.00 O ATOM 645 CB THR A 43 -0.167 4.623 8.050 1.00 0.00 C ATOM 646 OG1 THR A 43 0.999 5.423 8.275 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.479 3.810 9.297 1.00 0.00 C ATOM 0 H THR A 43 -1.087 5.078 5.737 1.00 0.00 H new ATOM 0 HA THR A 43 1.118 3.514 6.719 1.00 0.00 H new ATOM 0 HB THR A 43 -1.016 5.272 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.857 5.995 9.058 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.629 4.482 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.384 3.226 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.352 3.138 9.511 1.00 0.00 H new ATOM 655 N HIS A 44 -1.737 2.148 6.318 1.00 0.00 N ATOM 656 CA HIS A 44 -2.514 0.921 6.450 1.00 0.00 C ATOM 657 C HIS A 44 -1.859 -0.222 5.680 1.00 0.00 C ATOM 658 O HIS A 44 -1.381 -1.190 6.273 1.00 0.00 O ATOM 659 CB HIS A 44 -3.941 1.139 5.945 1.00 0.00 C ATOM 660 CG HIS A 44 -4.702 -0.133 5.733 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.747 -0.529 6.542 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.567 -1.101 4.796 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.220 -1.685 6.113 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.522 -2.054 5.054 1.00 0.00 N ATOM 0 H HIS A 44 -2.083 2.792 5.606 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.547 0.653 7.506 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.480 1.760 6.660 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.905 1.692 5.006 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.843 -1.120 3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.038 -2.235 6.553 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.668 -2.908 4.515 1.00 0.00 H new ATOM 672 N VAL A 45 -1.841 -0.104 4.356 1.00 0.00 N ATOM 673 CA VAL A 45 -1.244 -1.127 3.506 1.00 0.00 C ATOM 674 C VAL A 45 0.203 -1.397 3.903 1.00 0.00 C ATOM 675 O VAL A 45 0.799 -2.390 3.485 1.00 0.00 O ATOM 676 CB VAL A 45 -1.290 -0.719 2.021 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.796 -1.856 1.139 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.698 -0.300 1.627 1.00 0.00 C ATOM 0 H VAL A 45 -2.233 0.690 3.849 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.831 -2.035 3.645 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.628 0.135 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.836 -1.549 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.231 -2.103 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.429 -2.731 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.712 -0.015 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.383 -1.132 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.009 0.548 2.237 1.00 0.00 H new ATOM 688 N THR A 46 0.764 -0.505 4.714 1.00 0.00 N ATOM 689 CA THR A 46 2.142 -0.646 5.169 1.00 0.00 C ATOM 690 C THR A 46 2.280 -1.799 6.157 1.00 0.00 C ATOM 691 O THR A 46 2.966 -2.783 5.884 1.00 0.00 O ATOM 692 CB THR A 46 2.649 0.648 5.833 1.00 0.00 C ATOM 693 OG1 THR A 46 3.064 1.583 4.830 1.00 0.00 O ATOM 694 CG2 THR A 46 3.810 0.355 6.771 1.00 0.00 C ATOM 0 H THR A 46 0.285 0.323 5.069 1.00 0.00 H new ATOM 0 HA THR A 46 2.747 -0.854 4.286 1.00 0.00 H new ATOM 0 HB THR A 46 1.832 1.077 6.414 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.275 1.982 4.408 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.151 1.284 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.484 -0.334 7.550 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.628 -0.094 6.208 1.00 0.00 H new ATOM 702 N MET A 47 1.623 -1.670 7.305 1.00 0.00 N ATOM 703 CA MET A 47 1.672 -2.703 8.333 1.00 0.00 C ATOM 704 C MET A 47 0.505 -3.674 8.183 1.00 0.00 C ATOM 705 O MET A 47 0.686 -4.890 8.246 1.00 0.00 O ATOM 706 CB MET A 47 1.648 -2.069 9.725 1.00 0.00 C ATOM 707 CG MET A 47 0.275 -2.089 10.378 1.00 0.00 C ATOM 708 SD MET A 47 0.299 -1.444 12.062 1.00 0.00 S ATOM 709 CE MET A 47 1.190 0.091 11.825 1.00 0.00 C ATOM 0 H MET A 47 1.051 -0.861 7.547 1.00 0.00 H new ATOM 0 HA MET A 47 2.602 -3.258 8.211 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.354 -2.595 10.367 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.991 -1.037 9.651 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.418 -1.500 9.777 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.103 -3.111 10.390 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.933 0.788 12.623 1.00 0.00 H new ATOM 0 HE2 MET A 47 2.262 -0.104 11.845 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.918 0.525 10.863 1.00 0.00 H new ATOM 719 N GLU A 48 -0.691 -3.129 7.986 1.00 0.00 N ATOM 720 CA GLU A 48 -1.887 -3.949 7.829 1.00 0.00 C ATOM 721 C GLU A 48 -1.675 -5.022 6.765 1.00 0.00 C ATOM 722 O GLU A 48 -2.129 -6.157 6.914 1.00 0.00 O ATOM 723 CB GLU A 48 -3.086 -3.075 7.455 1.00 0.00 C ATOM 724 CG GLU A 48 -3.270 -1.872 8.366 1.00 0.00 C ATOM 725 CD GLU A 48 -3.441 -2.263 9.821 1.00 0.00 C ATOM 726 OE1 GLU A 48 -3.857 -3.411 10.083 1.00 0.00 O ATOM 727 OE2 GLU A 48 -3.158 -1.420 10.698 1.00 0.00 O ATOM 0 H GLU A 48 -0.858 -2.124 7.931 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.087 -4.440 8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.966 -2.728 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.991 -3.683 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.407 -1.213 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.142 -1.305 8.041 1.00 0.00 H new ATOM 734 N HIS A 49 -0.983 -4.655 5.692 1.00 0.00 N ATOM 735 CA HIS A 49 -0.710 -5.586 4.602 1.00 0.00 C ATOM 736 C HIS A 49 0.778 -5.911 4.526 1.00 0.00 C ATOM 737 O HIS A 49 1.221 -6.956 5.003 1.00 0.00 O ATOM 738 CB HIS A 49 -1.185 -5.000 3.272 1.00 0.00 C ATOM 739 CG HIS A 49 -2.676 -4.928 3.148 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.518 -5.927 3.589 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.476 -3.966 2.631 1.00 0.00 C ATOM 742 CE1 HIS A 49 -4.770 -5.584 3.346 1.00 0.00 C ATOM 743 NE2 HIS A 49 -4.772 -4.398 2.766 1.00 0.00 N ATOM 0 H HIS A 49 -0.601 -3.720 5.553 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.256 -6.509 4.799 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -0.770 -3.999 3.157 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.789 -5.605 2.456 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -3.220 -6.795 4.034 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.154 -3.032 2.194 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.644 -6.174 3.582 1.00 0.00 H new ATOM 751 N VAL A 50 1.546 -5.010 3.921 1.00 0.00 N ATOM 752 CA VAL A 50 2.985 -5.201 3.782 1.00 0.00 C ATOM 753 C VAL A 50 3.597 -5.726 5.076 1.00 0.00 C ATOM 754 O VAL A 50 4.620 -6.409 5.058 1.00 0.00 O ATOM 755 CB VAL A 50 3.689 -3.890 3.388 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.032 -3.773 4.093 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.862 -3.811 1.879 1.00 0.00 C ATOM 0 H VAL A 50 1.195 -4.140 3.519 1.00 0.00 H new ATOM 0 HA VAL A 50 3.132 -5.935 2.990 1.00 0.00 H new ATOM 0 HB VAL A 50 3.065 -3.054 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.515 -2.840 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.878 -3.781 5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.666 -4.613 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.361 -2.878 1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.464 -4.653 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.884 -3.846 1.398 1.00 0.00 H new ATOM 767 N GLY A 51 2.963 -5.401 6.198 1.00 0.00 N ATOM 768 CA GLY A 51 3.459 -5.848 7.487 1.00 0.00 C ATOM 769 C GLY A 51 4.501 -4.910 8.064 1.00 0.00 C ATOM 770 O GLY A 51 4.392 -4.480 9.211 1.00 0.00 O ATOM 0 H GLY A 51 2.115 -4.836 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.625 -5.933 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.889 -6.844 7.382 1.00 0.00 H new ATOM 774 N GLY A 52 5.517 -4.594 7.266 1.00 0.00 N ATOM 775 CA GLY A 52 6.569 -3.704 7.722 1.00 0.00 C ATOM 776 C GLY A 52 7.954 -4.256 7.449 1.00 0.00 C ATOM 777 O GLY A 52 8.141 -5.132 6.604 1.00 0.00 O ATOM 0 H GLY A 52 5.630 -4.938 6.313 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.463 -2.738 7.229 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.455 -3.530 8.792 1.00 0.00 H new ATOM 781 N PRO A 53 8.956 -3.738 8.174 1.00 0.00 N ATOM 782 CA PRO A 53 10.349 -4.169 8.021 1.00 0.00 C ATOM 783 C PRO A 53 10.578 -5.585 8.538 1.00 0.00 C ATOM 784 O PRO A 53 11.671 -6.134 8.407 1.00 0.00 O ATOM 785 CB PRO A 53 11.127 -3.158 8.868 1.00 0.00 C ATOM 786 CG PRO A 53 10.147 -2.677 9.880 1.00 0.00 C ATOM 787 CD PRO A 53 8.807 -2.691 9.198 1.00 0.00 C ATOM 0 HA PRO A 53 10.655 -4.196 6.975 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.991 -3.622 9.343 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.502 -2.336 8.258 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.145 -3.322 10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.400 -1.674 10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.003 -2.924 9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.573 -1.724 8.753 1.00 0.00 H new ATOM 795 N GLU A 54 9.539 -6.170 9.126 1.00 0.00 N ATOM 796 CA GLU A 54 9.628 -7.523 9.663 1.00 0.00 C ATOM 797 C GLU A 54 8.592 -8.436 9.013 1.00 0.00 C ATOM 798 O GLU A 54 7.734 -8.999 9.692 1.00 0.00 O ATOM 799 CB GLU A 54 9.430 -7.508 11.180 1.00 0.00 C ATOM 800 CG GLU A 54 10.608 -6.923 11.941 1.00 0.00 C ATOM 801 CD GLU A 54 10.665 -7.395 13.381 1.00 0.00 C ATOM 802 OE1 GLU A 54 10.791 -8.619 13.598 1.00 0.00 O ATOM 803 OE2 GLU A 54 10.583 -6.543 14.289 1.00 0.00 O ATOM 0 H GLU A 54 8.627 -5.729 9.243 1.00 0.00 H new ATOM 0 HA GLU A 54 10.621 -7.911 9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.534 -6.933 11.416 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.255 -8.527 11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.534 -7.197 11.436 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.544 -5.835 11.921 1.00 0.00 H new ATOM 810 N GLN A 55 8.679 -8.576 7.694 1.00 0.00 N ATOM 811 CA GLN A 55 7.749 -9.419 6.953 1.00 0.00 C ATOM 812 C GLN A 55 8.498 -10.399 6.056 1.00 0.00 C ATOM 813 O GLN A 55 9.655 -10.174 5.704 1.00 0.00 O ATOM 814 CB GLN A 55 6.807 -8.557 6.111 1.00 0.00 C ATOM 815 CG GLN A 55 5.400 -9.122 6.000 1.00 0.00 C ATOM 816 CD GLN A 55 4.956 -9.305 4.562 1.00 0.00 C ATOM 817 OE1 GLN A 55 4.032 -8.637 4.096 1.00 0.00 O ATOM 818 NE2 GLN A 55 5.612 -10.213 3.850 1.00 0.00 N ATOM 0 H GLN A 55 9.384 -8.117 7.117 1.00 0.00 H new ATOM 0 HA GLN A 55 7.163 -9.990 7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.755 -7.559 6.546 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.225 -8.447 5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.356 -10.082 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.704 -8.456 6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.371 -10.744 4.276 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.357 -10.380 2.877 1.00 0.00 H new ATOM 827 N ASN A 56 7.830 -11.489 5.691 1.00 0.00 N ATOM 828 CA ASN A 56 8.433 -12.505 4.836 1.00 0.00 C ATOM 829 C ASN A 56 7.741 -12.553 3.477 1.00 0.00 C ATOM 830 O ASN A 56 6.596 -12.989 3.368 1.00 0.00 O ATOM 831 CB ASN A 56 8.358 -13.877 5.509 1.00 0.00 C ATOM 832 CG ASN A 56 9.539 -14.760 5.154 1.00 0.00 C ATOM 833 OD1 ASN A 56 9.962 -14.816 3.999 1.00 0.00 O ATOM 834 ND2 ASN A 56 10.078 -15.455 6.149 1.00 0.00 N ATOM 0 H ASN A 56 6.871 -11.691 5.974 1.00 0.00 H new ATOM 0 HA ASN A 56 9.479 -12.241 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.317 -13.747 6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.434 -14.374 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.875 -16.066 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.695 -15.378 7.091 1.00 0.00 H new ATOM 841 N ASN A 57 8.446 -12.103 2.444 1.00 0.00 N ATOM 842 CA ASN A 57 7.900 -12.095 1.092 1.00 0.00 C ATOM 843 C ASN A 57 6.990 -10.888 0.880 1.00 0.00 C ATOM 844 O ASN A 57 5.811 -10.916 1.235 1.00 0.00 O ATOM 845 CB ASN A 57 7.123 -13.386 0.825 1.00 0.00 C ATOM 846 CG ASN A 57 7.289 -13.876 -0.600 1.00 0.00 C ATOM 847 OD1 ASN A 57 6.308 -14.089 -1.313 1.00 0.00 O ATOM 848 ND2 ASN A 57 8.534 -14.057 -1.023 1.00 0.00 N ATOM 0 H ASN A 57 9.396 -11.739 2.517 1.00 0.00 H new ATOM 0 HA ASN A 57 8.732 -12.028 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.461 -14.160 1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.065 -13.219 1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.707 -14.385 -1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.318 -13.868 -0.398 1.00 0.00 H new ATOM 855 N HIS A 58 7.545 -9.830 0.299 1.00 0.00 N ATOM 856 CA HIS A 58 6.784 -8.613 0.038 1.00 0.00 C ATOM 857 C HIS A 58 6.152 -8.655 -1.350 1.00 0.00 C ATOM 858 O HIS A 58 6.853 -8.702 -2.361 1.00 0.00 O ATOM 859 CB HIS A 58 7.686 -7.385 0.164 1.00 0.00 C ATOM 860 CG HIS A 58 8.531 -7.386 1.400 1.00 0.00 C ATOM 861 ND1 HIS A 58 9.785 -7.958 1.454 1.00 0.00 N ATOM 862 CD2 HIS A 58 8.296 -6.880 2.633 1.00 0.00 C ATOM 863 CE1 HIS A 58 10.284 -7.804 2.668 1.00 0.00 C ATOM 864 NE2 HIS A 58 9.401 -7.153 3.402 1.00 0.00 N ATOM 0 H HIS A 58 8.519 -9.790 -0.000 1.00 0.00 H new ATOM 0 HA HIS A 58 5.987 -8.546 0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.335 -7.330 -0.710 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.067 -6.488 0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.406 -6.359 2.953 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.250 -8.152 3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 58 9.520 -6.895 4.382 1.00 0.00 H new ATOM 872 N VAL A 59 4.823 -8.639 -1.391 1.00 0.00 N ATOM 873 CA VAL A 59 4.097 -8.674 -2.655 1.00 0.00 C ATOM 874 C VAL A 59 3.028 -7.589 -2.705 1.00 0.00 C ATOM 875 O VAL A 59 2.404 -7.269 -1.692 1.00 0.00 O ATOM 876 CB VAL A 59 3.432 -10.045 -2.881 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.534 -10.007 -4.108 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.488 -11.132 -3.017 1.00 0.00 C ATOM 0 H VAL A 59 4.228 -8.602 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 59 4.827 -8.497 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 59 2.813 -10.277 -2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.073 -10.984 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.757 -9.256 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.128 -9.753 -4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.001 -12.094 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.134 -10.907 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.086 -11.174 -2.107 1.00 0.00 H new ATOM 888 N CYS A 60 2.820 -7.025 -3.890 1.00 0.00 N ATOM 889 CA CYS A 60 1.825 -5.975 -4.073 1.00 0.00 C ATOM 890 C CYS A 60 0.498 -6.559 -4.547 1.00 0.00 C ATOM 891 O CYS A 60 0.414 -7.141 -5.629 1.00 0.00 O ATOM 892 CB CYS A 60 2.327 -4.939 -5.081 1.00 0.00 C ATOM 893 SG CYS A 60 1.263 -3.468 -5.229 1.00 0.00 S ATOM 0 H CYS A 60 3.327 -7.278 -4.738 1.00 0.00 H new ATOM 0 HA CYS A 60 1.665 -5.489 -3.110 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.329 -4.622 -4.791 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.413 -5.412 -6.059 1.00 0.00 H new ATOM 0 HG CYS A 60 1.871 -2.439 -4.717 1.00 0.00 H new ATOM 898 N TYR A 61 -0.537 -6.401 -3.729 1.00 0.00 N ATOM 899 CA TYR A 61 -1.860 -6.914 -4.062 1.00 0.00 C ATOM 900 C TYR A 61 -2.850 -5.773 -4.276 1.00 0.00 C ATOM 901 O TYR A 61 -3.200 -5.057 -3.337 1.00 0.00 O ATOM 902 CB TYR A 61 -2.365 -7.841 -2.954 1.00 0.00 C ATOM 903 CG TYR A 61 -1.784 -9.235 -3.020 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.287 -10.177 -3.909 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.733 -9.611 -2.193 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.760 -11.453 -3.972 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.198 -10.883 -2.250 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.716 -11.801 -3.141 1.00 0.00 C ATOM 909 OH TYR A 61 -0.187 -13.070 -3.200 1.00 0.00 O ATOM 0 H TYR A 61 -0.485 -5.921 -2.830 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.779 -7.479 -4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.124 -7.401 -1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.451 -7.906 -3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.104 -9.907 -4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.327 -8.896 -1.493 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.163 -12.173 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.621 -11.158 -1.601 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.866 -13.692 -3.536 1.00 0.00 H new ATOM 919 N TRP A 62 -3.296 -5.610 -5.516 1.00 0.00 N ATOM 920 CA TRP A 62 -4.246 -4.556 -5.854 1.00 0.00 C ATOM 921 C TRP A 62 -5.243 -5.037 -6.903 1.00 0.00 C ATOM 922 O TRP A 62 -5.052 -6.087 -7.516 1.00 0.00 O ATOM 923 CB TRP A 62 -3.506 -3.319 -6.365 1.00 0.00 C ATOM 924 CG TRP A 62 -4.227 -2.036 -6.081 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.748 -1.169 -6.999 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.506 -1.476 -4.794 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.333 -0.103 -6.359 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.199 -0.268 -5.006 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.239 -1.878 -3.482 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.625 0.539 -3.955 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.663 -1.075 -2.440 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.350 0.122 -2.681 1.00 0.00 C ATOM 0 H TRP A 62 -3.015 -6.194 -6.304 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.796 -4.294 -4.950 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.517 -3.281 -5.907 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.356 -3.413 -7.441 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.706 -1.302 -8.070 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.793 0.684 -6.817 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.711 -2.799 -3.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.154 1.462 -4.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.461 -1.375 -1.422 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.669 0.727 -1.845 1.00 0.00 H new ATOM 943 N GLU A 63 -6.304 -4.263 -7.104 1.00 0.00 N ATOM 944 CA GLU A 63 -7.330 -4.613 -8.079 1.00 0.00 C ATOM 945 C GLU A 63 -6.891 -4.234 -9.491 1.00 0.00 C ATOM 946 O GLU A 63 -7.250 -4.898 -10.462 1.00 0.00 O ATOM 947 CB GLU A 63 -8.648 -3.914 -7.739 1.00 0.00 C ATOM 948 CG GLU A 63 -9.612 -3.829 -8.910 1.00 0.00 C ATOM 949 CD GLU A 63 -11.055 -4.047 -8.496 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.282 -4.715 -7.466 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.956 -3.549 -9.203 1.00 0.00 O ATOM 0 H GLU A 63 -6.476 -3.390 -6.605 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.478 -5.692 -8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.131 -4.447 -6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.434 -2.907 -7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.518 -2.852 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.336 -4.573 -9.657 1.00 0.00 H new ATOM 958 N GLU A 64 -6.112 -3.161 -9.594 1.00 0.00 N ATOM 959 CA GLU A 64 -5.625 -2.693 -10.886 1.00 0.00 C ATOM 960 C GLU A 64 -4.152 -2.303 -10.803 1.00 0.00 C ATOM 961 O GLU A 64 -3.789 -1.151 -11.046 1.00 0.00 O ATOM 962 CB GLU A 64 -6.454 -1.501 -11.367 1.00 0.00 C ATOM 963 CG GLU A 64 -7.953 -1.707 -11.231 1.00 0.00 C ATOM 964 CD GLU A 64 -8.693 -1.497 -12.538 1.00 0.00 C ATOM 965 OE1 GLU A 64 -8.725 -0.346 -13.022 1.00 0.00 O ATOM 966 OE2 GLU A 64 -9.239 -2.482 -13.077 1.00 0.00 O ATOM 0 H GLU A 64 -5.805 -2.600 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.727 -3.509 -11.602 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.165 -0.616 -10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.217 -1.302 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.145 -2.716 -10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.344 -1.018 -10.482 1.00 0.00 H new ATOM 973 N CYS A 65 -3.308 -3.269 -10.459 1.00 0.00 N ATOM 974 CA CYS A 65 -1.875 -3.028 -10.342 1.00 0.00 C ATOM 975 C CYS A 65 -1.120 -3.669 -11.503 1.00 0.00 C ATOM 976 O CYS A 65 -1.471 -4.745 -11.987 1.00 0.00 O ATOM 977 CB CYS A 65 -1.351 -3.577 -9.014 1.00 0.00 C ATOM 978 SG CYS A 65 0.427 -3.974 -9.023 1.00 0.00 S ATOM 0 H CYS A 65 -3.592 -4.227 -10.256 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.709 -1.951 -10.373 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.545 -2.846 -8.229 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.912 -4.476 -8.758 1.00 0.00 H new ATOM 0 HG CYS A 65 0.908 -3.838 -7.823 1.00 0.00 H new ATOM 983 N PRO A 66 -0.057 -2.992 -11.963 1.00 0.00 N ATOM 984 CA PRO A 66 0.771 -3.475 -13.072 1.00 0.00 C ATOM 985 C PRO A 66 1.594 -4.701 -12.689 1.00 0.00 C ATOM 986 O PRO A 66 1.699 -5.654 -13.461 1.00 0.00 O ATOM 987 CB PRO A 66 1.689 -2.288 -13.373 1.00 0.00 C ATOM 988 CG PRO A 66 1.760 -1.529 -12.093 1.00 0.00 C ATOM 989 CD PRO A 66 0.419 -1.702 -11.434 1.00 0.00 C ATOM 0 HA PRO A 66 0.168 -3.791 -13.923 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.677 -2.622 -13.690 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.288 -1.671 -14.177 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.559 -1.910 -11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.972 -0.476 -12.275 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.504 -1.720 -10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.261 -0.888 -11.687 1.00 0.00 H new ATOM 997 N ARG A 67 2.174 -4.669 -11.494 1.00 0.00 N ATOM 998 CA ARG A 67 2.988 -5.777 -11.010 1.00 0.00 C ATOM 999 C ARG A 67 2.116 -6.980 -10.660 1.00 0.00 C ATOM 1000 O ARG A 67 2.615 -8.092 -10.494 1.00 0.00 O ATOM 1001 CB ARG A 67 3.797 -5.347 -9.785 1.00 0.00 C ATOM 1002 CG ARG A 67 4.044 -3.849 -9.714 1.00 0.00 C ATOM 1003 CD ARG A 67 5.446 -3.538 -9.215 1.00 0.00 C ATOM 1004 NE ARG A 67 6.474 -4.031 -10.129 1.00 0.00 N ATOM 1005 CZ ARG A 67 6.863 -3.378 -11.218 1.00 0.00 C ATOM 1006 NH1 ARG A 67 6.314 -2.211 -11.527 1.00 0.00 N ATOM 1007 NH2 ARG A 67 7.804 -3.891 -12.000 1.00 0.00 N ATOM 0 H ARG A 67 2.095 -3.888 -10.843 1.00 0.00 H new ATOM 0 HA ARG A 67 3.674 -6.066 -11.807 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.272 -5.663 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.756 -5.865 -9.793 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.902 -3.409 -10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.311 -3.389 -9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.556 -2.461 -9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.589 -3.987 -8.232 1.00 0.00 H new ATOM 0 HE ARG A 67 6.917 -4.925 -9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 67 5.591 -1.813 -10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.615 -1.712 -12.364 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.229 -4.788 -11.765 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.102 -3.389 -12.836 1.00 0.00 H new ATOM 1021 N GLU A 68 0.812 -6.747 -10.549 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.128 -7.811 -10.218 1.00 0.00 C ATOM 1023 C GLU A 68 0.460 -8.749 -9.168 1.00 0.00 C ATOM 1024 O GLU A 68 0.095 -9.922 -9.093 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.501 -8.602 -11.473 1.00 0.00 C ATOM 1026 CG GLU A 68 -0.771 -7.727 -12.686 1.00 0.00 C ATOM 1027 CD GLU A 68 -1.011 -8.535 -13.946 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -2.058 -9.210 -14.029 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -0.151 -8.491 -14.851 1.00 0.00 O ATOM 0 H GLU A 68 0.383 -5.831 -10.683 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.027 -7.351 -9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.306 -9.296 -11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.387 -9.202 -11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.640 -7.099 -12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.076 -7.059 -12.843 1.00 0.00 H new ATOM 1036 N GLY A 69 1.376 -8.224 -8.359 1.00 0.00 N ATOM 1037 CA GLY A 69 2.001 -9.027 -7.326 1.00 0.00 C ATOM 1038 C GLY A 69 3.266 -9.709 -7.808 1.00 0.00 C ATOM 1039 O GLY A 69 3.553 -10.844 -7.426 1.00 0.00 O ATOM 0 H GLY A 69 1.696 -7.256 -8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.237 -8.394 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.295 -9.781 -6.979 1.00 0.00 H new ATOM 1043 N LYS A 70 4.025 -9.017 -8.650 1.00 0.00 N ATOM 1044 CA LYS A 70 5.267 -9.561 -9.187 1.00 0.00 C ATOM 1045 C LYS A 70 6.300 -9.753 -8.081 1.00 0.00 C ATOM 1046 O LYS A 70 7.380 -10.295 -8.314 1.00 0.00 O ATOM 1047 CB LYS A 70 5.828 -8.636 -10.269 1.00 0.00 C ATOM 1048 CG LYS A 70 6.001 -9.313 -11.618 1.00 0.00 C ATOM 1049 CD LYS A 70 6.699 -8.401 -12.613 1.00 0.00 C ATOM 1050 CE LYS A 70 7.643 -9.181 -13.516 1.00 0.00 C ATOM 1051 NZ LYS A 70 7.005 -9.531 -14.815 1.00 0.00 N ATOM 0 H LYS A 70 3.802 -8.077 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 70 5.048 -10.533 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.163 -7.780 -10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.792 -8.249 -9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.579 -10.229 -11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.025 -9.601 -12.009 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.955 -7.886 -13.221 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.258 -7.634 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.541 -8.590 -13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.959 -10.093 -13.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.680 -10.062 -15.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.163 -10.116 -14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.726 -8.660 -15.310 1.00 0.00 H new ATOM 1065 N SER A 71 5.960 -9.305 -6.876 1.00 0.00 N ATOM 1066 CA SER A 71 6.859 -9.425 -5.734 1.00 0.00 C ATOM 1067 C SER A 71 7.895 -8.305 -5.739 1.00 0.00 C ATOM 1068 O SER A 71 8.205 -7.734 -6.785 1.00 0.00 O ATOM 1069 CB SER A 71 7.561 -10.784 -5.752 1.00 0.00 C ATOM 1070 OG SER A 71 8.877 -10.672 -6.266 1.00 0.00 O ATOM 0 H SER A 71 5.069 -8.856 -6.666 1.00 0.00 H new ATOM 0 HA SER A 71 6.264 -9.343 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.595 -11.192 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.988 -11.485 -6.360 1.00 0.00 H new ATOM 0 HG SER A 71 8.838 -10.489 -7.228 1.00 0.00 H new ATOM 1076 N PHE A 72 8.427 -7.995 -4.561 1.00 0.00 N ATOM 1077 CA PHE A 72 9.427 -6.942 -4.427 1.00 0.00 C ATOM 1078 C PHE A 72 10.649 -7.447 -3.664 1.00 0.00 C ATOM 1079 O PHE A 72 11.780 -7.052 -3.948 1.00 0.00 O ATOM 1080 CB PHE A 72 8.830 -5.729 -3.711 1.00 0.00 C ATOM 1081 CG PHE A 72 8.070 -4.809 -4.623 1.00 0.00 C ATOM 1082 CD1 PHE A 72 6.720 -5.007 -4.861 1.00 0.00 C ATOM 1083 CD2 PHE A 72 8.707 -3.745 -5.241 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.019 -4.162 -5.701 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.011 -2.896 -6.082 1.00 0.00 C ATOM 1086 CZ PHE A 72 6.665 -3.105 -6.311 1.00 0.00 C ATOM 0 H PHE A 72 8.182 -8.458 -3.686 1.00 0.00 H new ATOM 0 HA PHE A 72 9.742 -6.645 -5.427 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.164 -6.075 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.632 -5.170 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.209 -5.831 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.759 -3.577 -5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.967 -4.328 -5.880 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.519 -2.071 -6.559 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.119 -2.443 -6.966 1.00 0.00 H new ATOM 1096 N LYS A 73 10.412 -8.322 -2.692 1.00 0.00 N ATOM 1097 CA LYS A 73 11.490 -8.882 -1.887 1.00 0.00 C ATOM 1098 C LYS A 73 11.879 -7.931 -0.760 1.00 0.00 C ATOM 1099 O LYS A 73 12.153 -8.360 0.360 1.00 0.00 O ATOM 1100 CB LYS A 73 12.710 -9.176 -2.764 1.00 0.00 C ATOM 1101 CG LYS A 73 13.408 -10.480 -2.418 1.00 0.00 C ATOM 1102 CD LYS A 73 14.554 -10.770 -3.373 1.00 0.00 C ATOM 1103 CE LYS A 73 14.313 -12.049 -4.160 1.00 0.00 C ATOM 1104 NZ LYS A 73 13.098 -11.953 -5.016 1.00 0.00 N ATOM 0 H LYS A 73 9.482 -8.658 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 73 11.134 -9.813 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.398 -9.207 -3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.422 -8.356 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.787 -10.431 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.689 -11.299 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.675 -9.934 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.484 -10.857 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.181 -12.260 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.206 -12.886 -3.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.130 -12.692 -5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.249 -12.083 -4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.066 -11.018 -5.470 1.00 0.00 H new ATOM 1118 N ALA A 74 11.900 -6.637 -1.065 1.00 0.00 N ATOM 1119 CA ALA A 74 12.252 -5.625 -0.077 1.00 0.00 C ATOM 1120 C ALA A 74 11.027 -4.818 0.341 1.00 0.00 C ATOM 1121 O ALA A 74 10.340 -4.233 -0.496 1.00 0.00 O ATOM 1122 CB ALA A 74 13.331 -4.704 -0.625 1.00 0.00 C ATOM 0 H ALA A 74 11.677 -6.265 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 74 12.639 -6.134 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.584 -3.953 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.219 -5.288 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.965 -4.210 -1.525 1.00 0.00 H new ATOM 1128 N LYS A 75 10.759 -4.790 1.642 1.00 0.00 N ATOM 1129 CA LYS A 75 9.618 -4.054 2.173 1.00 0.00 C ATOM 1130 C LYS A 75 9.556 -2.648 1.586 1.00 0.00 C ATOM 1131 O LYS A 75 8.630 -2.313 0.847 1.00 0.00 O ATOM 1132 CB LYS A 75 9.699 -3.977 3.699 1.00 0.00 C ATOM 1133 CG LYS A 75 8.702 -3.011 4.314 1.00 0.00 C ATOM 1134 CD LYS A 75 9.392 -1.781 4.880 1.00 0.00 C ATOM 1135 CE LYS A 75 8.441 -0.945 5.722 1.00 0.00 C ATOM 1136 NZ LYS A 75 8.620 0.513 5.478 1.00 0.00 N ATOM 0 H LYS A 75 11.317 -5.269 2.349 1.00 0.00 H new ATOM 0 HA LYS A 75 8.711 -4.588 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.532 -4.971 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.707 -3.677 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.976 -2.707 3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.147 -3.515 5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.243 -2.088 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.785 -1.175 4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.413 -1.227 5.497 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.606 -1.160 6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.954 1.048 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.594 0.788 5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.437 0.722 4.476 1.00 0.00 H new ATOM 1150 N TYR A 76 10.549 -1.829 1.917 1.00 0.00 N ATOM 1151 CA TYR A 76 10.607 -0.459 1.422 1.00 0.00 C ATOM 1152 C TYR A 76 10.344 -0.410 -0.080 1.00 0.00 C ATOM 1153 O TYR A 76 9.784 0.558 -0.593 1.00 0.00 O ATOM 1154 CB TYR A 76 11.970 0.161 1.734 1.00 0.00 C ATOM 1155 CG TYR A 76 13.076 -0.321 0.822 1.00 0.00 C ATOM 1156 CD1 TYR A 76 13.761 -1.500 1.090 1.00 0.00 C ATOM 1157 CD2 TYR A 76 13.436 0.402 -0.308 1.00 0.00 C ATOM 1158 CE1 TYR A 76 14.772 -1.944 0.261 1.00 0.00 C ATOM 1159 CE2 TYR A 76 14.446 -0.034 -1.144 1.00 0.00 C ATOM 1160 CZ TYR A 76 15.111 -1.207 -0.855 1.00 0.00 C ATOM 1161 OH TYR A 76 16.117 -1.646 -1.685 1.00 0.00 O ATOM 0 H TYR A 76 11.324 -2.091 2.526 1.00 0.00 H new ATOM 0 HA TYR A 76 9.830 0.116 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.893 1.246 1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.236 -0.067 2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 76 13.498 -2.080 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 76 12.917 1.321 -0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.294 -2.863 0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 76 14.713 0.540 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 76 16.230 -1.013 -2.425 1.00 0.00 H new ATOM 1171 N LYS A 77 10.753 -1.463 -0.780 1.00 0.00 N ATOM 1172 CA LYS A 77 10.562 -1.544 -2.223 1.00 0.00 C ATOM 1173 C LYS A 77 9.092 -1.765 -2.565 1.00 0.00 C ATOM 1174 O LYS A 77 8.602 -1.277 -3.584 1.00 0.00 O ATOM 1175 CB LYS A 77 11.409 -2.677 -2.807 1.00 0.00 C ATOM 1176 CG LYS A 77 12.472 -2.201 -3.782 1.00 0.00 C ATOM 1177 CD LYS A 77 12.499 -3.055 -5.039 1.00 0.00 C ATOM 1178 CE LYS A 77 13.923 -3.342 -5.487 1.00 0.00 C ATOM 1179 NZ LYS A 77 14.062 -3.276 -6.969 1.00 0.00 N ATOM 0 H LYS A 77 11.219 -2.273 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 77 10.880 -0.598 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.891 -3.216 -1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.754 -3.385 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.281 -1.162 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.449 -2.231 -3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.979 -3.995 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.961 -2.545 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.601 -2.623 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.221 -4.330 -5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.047 -3.477 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.434 -3.979 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.802 -2.325 -7.300 1.00 0.00 H new ATOM 1193 N LEU A 78 8.394 -2.501 -1.708 1.00 0.00 N ATOM 1194 CA LEU A 78 6.979 -2.785 -1.919 1.00 0.00 C ATOM 1195 C LEU A 78 6.117 -1.598 -1.500 1.00 0.00 C ATOM 1196 O LEU A 78 5.156 -1.244 -2.183 1.00 0.00 O ATOM 1197 CB LEU A 78 6.566 -4.032 -1.134 1.00 0.00 C ATOM 1198 CG LEU A 78 5.064 -4.306 -1.052 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.427 -4.206 -2.429 1.00 0.00 C ATOM 1200 CD2 LEU A 78 4.805 -5.675 -0.440 1.00 0.00 C ATOM 0 H LEU A 78 8.785 -2.912 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 78 6.825 -2.965 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.049 -4.898 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.955 -3.944 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 78 4.611 -3.551 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.358 -4.404 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.582 -3.204 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.884 -4.938 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.731 -5.854 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.272 -6.443 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.227 -5.710 0.565 1.00 0.00 H new ATOM 1212 N VAL A 79 6.468 -0.986 -0.374 1.00 0.00 N ATOM 1213 CA VAL A 79 5.729 0.163 0.134 1.00 0.00 C ATOM 1214 C VAL A 79 5.925 1.382 -0.761 1.00 0.00 C ATOM 1215 O VAL A 79 5.038 2.227 -0.878 1.00 0.00 O ATOM 1216 CB VAL A 79 6.162 0.519 1.569 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.831 1.970 1.882 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.503 -0.415 2.572 1.00 0.00 C ATOM 0 H VAL A 79 7.260 -1.267 0.204 1.00 0.00 H new ATOM 0 HA VAL A 79 4.675 -0.115 0.139 1.00 0.00 H new ATOM 0 HB VAL A 79 7.242 0.393 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.144 2.203 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.355 2.622 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.756 2.126 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.820 -0.149 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.419 -0.324 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.796 -1.443 2.359 1.00 0.00 H new ATOM 1228 N ASN A 80 7.092 1.465 -1.392 1.00 0.00 N ATOM 1229 CA ASN A 80 7.404 2.581 -2.277 1.00 0.00 C ATOM 1230 C ASN A 80 6.489 2.578 -3.499 1.00 0.00 C ATOM 1231 O ASN A 80 6.000 3.625 -3.923 1.00 0.00 O ATOM 1232 CB ASN A 80 8.866 2.513 -2.721 1.00 0.00 C ATOM 1233 CG ASN A 80 9.819 3.011 -1.652 1.00 0.00 C ATOM 1234 OD1 ASN A 80 9.498 2.996 -0.463 1.00 0.00 O ATOM 1235 ND2 ASN A 80 10.998 3.457 -2.071 1.00 0.00 N ATOM 0 H ASN A 80 7.837 0.773 -1.307 1.00 0.00 H new ATOM 0 HA ASN A 80 7.241 3.507 -1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.118 1.484 -2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.996 3.107 -3.625 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.680 3.806 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.221 3.451 -3.066 1.00 0.00 H new ATOM 1242 N HIS A 81 6.263 1.394 -4.059 1.00 0.00 N ATOM 1243 CA HIS A 81 5.406 1.255 -5.231 1.00 0.00 C ATOM 1244 C HIS A 81 3.935 1.396 -4.849 1.00 0.00 C ATOM 1245 O HIS A 81 3.127 1.897 -5.631 1.00 0.00 O ATOM 1246 CB HIS A 81 5.642 -0.098 -5.903 1.00 0.00 C ATOM 1247 CG HIS A 81 4.523 -0.523 -6.804 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.171 0.167 -7.944 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.676 -1.576 -6.726 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.155 -0.442 -8.529 1.00 0.00 C ATOM 1251 NE2 HIS A 81 2.836 -1.503 -7.810 1.00 0.00 N ATOM 0 H HIS A 81 6.661 0.518 -3.721 1.00 0.00 H new ATOM 0 HA HIS A 81 5.659 2.050 -5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.565 -0.051 -6.481 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.786 -0.856 -5.133 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.663 -2.332 -5.955 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.668 -0.126 -9.440 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.087 -2.161 -8.025 1.00 0.00 H new ATOM 1259 N ILE A 82 3.597 0.952 -3.644 1.00 0.00 N ATOM 1260 CA ILE A 82 2.224 1.029 -3.159 1.00 0.00 C ATOM 1261 C ILE A 82 1.686 2.453 -3.258 1.00 0.00 C ATOM 1262 O ILE A 82 0.518 2.664 -3.583 1.00 0.00 O ATOM 1263 CB ILE A 82 2.115 0.551 -1.699 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.205 -0.975 -1.631 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.814 1.039 -1.078 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.606 -1.496 -0.269 1.00 0.00 C ATOM 0 H ILE A 82 4.255 0.535 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 82 1.628 0.373 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 82 2.946 0.971 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.239 -1.400 -1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.927 -1.322 -2.371 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.751 0.693 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.788 2.128 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.030 0.645 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.650 -2.585 -0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.586 -1.100 -0.002 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.872 -1.180 0.472 1.00 0.00 H new ATOM 1278 N ARG A 83 2.547 3.426 -2.977 1.00 0.00 N ATOM 1279 CA ARG A 83 2.158 4.830 -3.034 1.00 0.00 C ATOM 1280 C ARG A 83 1.473 5.150 -4.359 1.00 0.00 C ATOM 1281 O ARG A 83 0.409 5.768 -4.386 1.00 0.00 O ATOM 1282 CB ARG A 83 3.383 5.728 -2.851 1.00 0.00 C ATOM 1283 CG ARG A 83 4.275 5.313 -1.692 1.00 0.00 C ATOM 1284 CD ARG A 83 5.084 6.488 -1.164 1.00 0.00 C ATOM 1285 NE ARG A 83 4.724 6.827 0.210 1.00 0.00 N ATOM 1286 CZ ARG A 83 5.139 6.140 1.269 1.00 0.00 C ATOM 1287 NH1 ARG A 83 5.923 5.083 1.112 1.00 0.00 N ATOM 1288 NH2 ARG A 83 4.769 6.511 2.488 1.00 0.00 N ATOM 0 H ARG A 83 3.518 3.268 -2.708 1.00 0.00 H new ATOM 0 HA ARG A 83 1.453 5.020 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.969 5.721 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.051 6.754 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.663 4.901 -0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.950 4.521 -2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.146 6.247 -1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.925 7.355 -1.805 1.00 0.00 H new ATOM 0 HE ARG A 83 4.121 7.635 0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.209 4.795 0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.240 4.558 1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.166 7.324 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.088 5.983 3.301 1.00 0.00 H new ATOM 1302 N VAL A 84 2.090 4.726 -5.457 1.00 0.00 N ATOM 1303 CA VAL A 84 1.540 4.966 -6.785 1.00 0.00 C ATOM 1304 C VAL A 84 0.053 4.636 -6.832 1.00 0.00 C ATOM 1305 O VAL A 84 -0.723 5.308 -7.513 1.00 0.00 O ATOM 1306 CB VAL A 84 2.273 4.137 -7.856 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.634 2.763 -7.997 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.278 4.871 -9.188 1.00 0.00 C ATOM 0 H VAL A 84 2.972 4.214 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 84 1.681 6.026 -6.998 1.00 0.00 H new ATOM 0 HB VAL A 84 3.307 4.000 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.165 2.191 -8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.689 2.237 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.590 2.876 -8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.800 4.270 -9.933 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.252 5.041 -9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.786 5.829 -9.074 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.340 3.595 -6.103 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.736 3.175 -6.061 1.00 0.00 C ATOM 1320 C HIS A 85 -2.564 4.127 -5.203 1.00 0.00 C ATOM 1321 O HIS A 85 -3.550 4.701 -5.667 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.845 1.751 -5.514 1.00 0.00 C ATOM 1323 CG HIS A 85 -1.106 0.738 -6.331 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.704 0.966 -7.630 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.694 -0.515 -6.026 1.00 0.00 C ATOM 1326 CE1 HIS A 85 -0.078 -0.103 -8.090 1.00 0.00 C ATOM 1327 NE2 HIS A 85 -0.058 -1.016 -7.136 1.00 0.00 N ATOM 0 H HIS A 85 0.289 3.028 -5.534 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.128 3.197 -7.078 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.462 1.732 -4.494 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.897 1.469 -5.465 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.838 -1.026 -5.085 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.345 -0.212 -9.078 1.00 0.00 H new ATOM 0 HE2 HIS A 85 0.362 -1.943 -7.211 1.00 0.00 H new ATOM 1335 N THR A 86 -2.157 4.290 -3.947 1.00 0.00 N ATOM 1336 CA THR A 86 -2.862 5.171 -3.024 1.00 0.00 C ATOM 1337 C THR A 86 -3.146 6.525 -3.664 1.00 0.00 C ATOM 1338 O THR A 86 -4.153 7.165 -3.364 1.00 0.00 O ATOM 1339 CB THR A 86 -2.056 5.387 -1.729 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.736 5.843 -2.043 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.975 4.101 -0.921 1.00 0.00 C ATOM 0 H THR A 86 -1.343 3.823 -3.546 1.00 0.00 H new ATOM 0 HA THR A 86 -3.806 4.683 -2.780 1.00 0.00 H new ATOM 0 HB THR A 86 -2.567 6.141 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.619 5.861 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.401 4.278 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.981 3.773 -0.658 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.485 3.329 -1.514 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.252 6.955 -4.549 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.426 8.231 -5.218 1.00 0.00 C ATOM 1351 C GLY A 87 -1.600 9.334 -4.587 1.00 0.00 C ATOM 1352 O GLY A 87 -1.658 10.485 -5.019 1.00 0.00 O ATOM 0 H GLY A 87 -1.411 6.443 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.149 8.128 -6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.479 8.510 -5.193 1.00 0.00 H new ATOM 1356 N GLU A 88 -0.831 8.983 -3.562 1.00 0.00 N ATOM 1357 CA GLU A 88 0.008 9.953 -2.869 1.00 0.00 C ATOM 1358 C GLU A 88 1.306 10.196 -3.635 1.00 0.00 C ATOM 1359 O GLU A 88 1.366 10.012 -4.851 1.00 0.00 O ATOM 1360 CB GLU A 88 0.323 9.470 -1.452 1.00 0.00 C ATOM 1361 CG GLU A 88 0.443 10.594 -0.437 1.00 0.00 C ATOM 1362 CD GLU A 88 1.541 10.349 0.579 1.00 0.00 C ATOM 1363 OE1 GLU A 88 1.437 9.363 1.339 1.00 0.00 O ATOM 1364 OE2 GLU A 88 2.505 11.142 0.614 1.00 0.00 O ATOM 0 H GLU A 88 -0.772 8.034 -3.193 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.541 10.893 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.459 8.783 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.256 8.906 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.639 11.530 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.508 10.712 0.083 1.00 0.00 H new