USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=18 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 130:sc= -0.734 USER MOD Set 1.2: A 65 CYS SG : rot 144:sc= -1.46 USER MOD Set 1.3: A 81 HIS : no HE2:sc= -2.06! C(o=-9.3!,f=-12!) USER MOD Set 1.4: A 85 HIS : no HD1:sc= -5.03! C(o=-9.3!,f=-14!) USER MOD Set 2.1: A 16 CYS SG : rot 61:sc= -1.75 USER MOD Set 2.2: A 31 CYS SG : rot -145:sc= 0.451 USER MOD Set 2.3: A 44 HIS : no HD1:sc= -3.97! C(o=-17!,f=-18!) USER MOD Set 2.4: A 49 HIS : no HD1:sc= -12.1! C(o=-17!,f=-20!) 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 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 44:sc= 0.128 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00334 USER MOD Single : A 38 MET CE :methyl -167:sc= -4.5! (180deg=-4.68!) USER MOD Single : A 39 HIS : no HD1:sc=-0.00672 X(o=-0.0067,f=-0.011) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 47 MET CE :methyl 160:sc= -0.103 (180deg=-0.657) USER MOD Single : A 55 GLN : amide:sc= -2.15 K(o=-2.2,f=-2.8!) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 57 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.037) USER MOD Single : A 58 HIS : no HD1:sc=-0.00778 X(o=-0.0078,f=-0.026) USER MOD Single : A 61 TYR OH : rot -79:sc= 0.22 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.419 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.86 K(o=-1.9,f=-0.41) USER MOD Single : A 86 THR OG1 : rot -31:sc= 0.402 USER MOD ----------------------------------------------------------------- ATOM 155 N GLU A 13 -13.580 9.760 1.589 1.00 0.00 N ATOM 156 CA GLU A 13 -13.520 8.374 2.039 1.00 0.00 C ATOM 157 C GLU A 13 -12.589 7.554 1.151 1.00 0.00 C ATOM 158 O GLU A 13 -12.992 7.062 0.096 1.00 0.00 O ATOM 159 CB GLU A 13 -14.919 7.754 2.040 1.00 0.00 C ATOM 160 CG GLU A 13 -15.927 8.526 1.206 1.00 0.00 C ATOM 161 CD GLU A 13 -17.195 7.735 0.944 1.00 0.00 C ATOM 162 OE1 GLU A 13 -17.200 6.516 1.218 1.00 0.00 O ATOM 163 OE2 GLU A 13 -18.180 8.334 0.465 1.00 0.00 O ATOM 0 HA GLU A 13 -13.126 8.365 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.855 6.733 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.280 7.694 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.181 9.454 1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.471 8.801 0.255 1.00 0.00 H new ATOM 170 N LEU A 14 -11.342 7.410 1.585 1.00 0.00 N ATOM 171 CA LEU A 14 -10.352 6.650 0.830 1.00 0.00 C ATOM 172 C LEU A 14 -10.538 5.151 1.043 1.00 0.00 C ATOM 173 O LEU A 14 -10.704 4.690 2.173 1.00 0.00 O ATOM 174 CB LEU A 14 -8.938 7.063 1.244 1.00 0.00 C ATOM 175 CG LEU A 14 -8.672 8.568 1.312 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.669 8.883 2.411 1.00 0.00 C ATOM 177 CD2 LEU A 14 -8.174 9.082 -0.031 1.00 0.00 C ATOM 0 H LEU A 14 -10.992 7.810 2.456 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.493 6.869 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.727 6.632 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.231 6.621 0.542 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.608 9.074 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.492 9.958 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.064 8.550 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.731 8.367 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.990 10.154 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.249 8.571 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.926 8.890 -0.796 1.00 0.00 H new ATOM 189 N SER A 15 -10.508 4.395 -0.050 1.00 0.00 N ATOM 190 CA SER A 15 -10.676 2.948 0.017 1.00 0.00 C ATOM 191 C SER A 15 -9.373 2.234 -0.332 1.00 0.00 C ATOM 192 O SER A 15 -8.635 2.662 -1.219 1.00 0.00 O ATOM 193 CB SER A 15 -11.787 2.498 -0.933 1.00 0.00 C ATOM 194 OG SER A 15 -12.645 3.577 -1.262 1.00 0.00 O ATOM 0 H SER A 15 -10.369 4.760 -0.992 1.00 0.00 H new ATOM 0 HA SER A 15 -10.953 2.686 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.348 2.088 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.365 1.698 -0.469 1.00 0.00 H new ATOM 0 HG SER A 15 -13.346 3.264 -1.872 1.00 0.00 H new ATOM 200 N CYS A 16 -9.098 1.142 0.374 1.00 0.00 N ATOM 201 CA CYS A 16 -7.885 0.367 0.141 1.00 0.00 C ATOM 202 C CYS A 16 -8.181 -0.863 -0.713 1.00 0.00 C ATOM 203 O CYS A 16 -8.586 -1.906 -0.201 1.00 0.00 O ATOM 204 CB CYS A 16 -7.266 -0.062 1.473 1.00 0.00 C ATOM 205 SG CYS A 16 -6.160 -1.504 1.349 1.00 0.00 S ATOM 0 H CYS A 16 -9.699 0.774 1.112 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.177 0.999 -0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.707 0.776 1.888 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.067 -0.291 2.176 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.167 -1.223 0.558 1.00 0.00 H new ATOM 210 N LYS A 17 -7.975 -0.732 -2.019 1.00 0.00 N ATOM 211 CA LYS A 17 -8.217 -1.831 -2.947 1.00 0.00 C ATOM 212 C LYS A 17 -7.101 -2.867 -2.865 1.00 0.00 C ATOM 213 O LYS A 17 -6.425 -3.143 -3.856 1.00 0.00 O ATOM 214 CB LYS A 17 -8.333 -1.302 -4.378 1.00 0.00 C ATOM 215 CG LYS A 17 -9.457 -0.297 -4.566 1.00 0.00 C ATOM 216 CD LYS A 17 -10.811 -0.983 -4.640 1.00 0.00 C ATOM 217 CE LYS A 17 -11.800 -0.176 -5.466 1.00 0.00 C ATOM 218 NZ LYS A 17 -12.934 -1.013 -5.948 1.00 0.00 N ATOM 0 H LYS A 17 -7.641 0.125 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.155 -2.310 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.389 -0.836 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.491 -2.142 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.453 0.414 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.287 0.274 -5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.694 -1.975 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.205 -1.123 -3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.186 0.648 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.285 0.265 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.586 -0.426 -6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.568 -1.785 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.441 -1.413 -5.133 1.00 0.00 H new ATOM 232 N TRP A 18 -6.915 -3.438 -1.681 1.00 0.00 N ATOM 233 CA TRP A 18 -5.881 -4.445 -1.472 1.00 0.00 C ATOM 234 C TRP A 18 -6.480 -5.847 -1.468 1.00 0.00 C ATOM 235 O TRP A 18 -6.924 -6.339 -0.430 1.00 0.00 O ATOM 236 CB TRP A 18 -5.148 -4.187 -0.154 1.00 0.00 C ATOM 237 CG TRP A 18 -4.068 -5.187 0.130 1.00 0.00 C ATOM 238 CD1 TRP A 18 -4.216 -6.404 0.733 1.00 0.00 C ATOM 239 CD2 TRP A 18 -2.676 -5.055 -0.175 1.00 0.00 C ATOM 240 NE1 TRP A 18 -2.999 -7.036 0.821 1.00 0.00 N ATOM 241 CE2 TRP A 18 -2.038 -6.230 0.270 1.00 0.00 C ATOM 242 CE3 TRP A 18 -1.905 -4.060 -0.783 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -0.668 -6.433 0.127 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -0.546 -4.263 -0.924 1.00 0.00 C ATOM 245 CH2 TRP A 18 0.061 -5.442 -0.471 1.00 0.00 C ATOM 0 H TRP A 18 -7.466 -3.221 -0.851 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.170 -4.376 -2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.712 -3.188 -0.179 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.869 -4.200 0.663 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.152 -6.810 1.088 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.837 -7.956 1.230 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.364 -3.148 -1.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.198 -7.340 0.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.059 -3.500 -1.391 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.126 -5.571 -0.597 1.00 0.00 H new ATOM 256 N ILE A 19 -6.490 -6.485 -2.634 1.00 0.00 N ATOM 257 CA ILE A 19 -7.034 -7.831 -2.763 1.00 0.00 C ATOM 258 C ILE A 19 -6.049 -8.874 -2.245 1.00 0.00 C ATOM 259 O ILE A 19 -5.000 -9.105 -2.847 1.00 0.00 O ATOM 260 CB ILE A 19 -7.387 -8.157 -4.226 1.00 0.00 C ATOM 261 CG1 ILE A 19 -8.371 -7.124 -4.779 1.00 0.00 C ATOM 262 CG2 ILE A 19 -7.968 -9.559 -4.331 1.00 0.00 C ATOM 263 CD1 ILE A 19 -7.883 -6.436 -6.034 1.00 0.00 C ATOM 0 H ILE A 19 -6.128 -6.091 -3.502 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.943 -7.863 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.475 -8.117 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.321 -7.615 -4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.564 -6.372 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.212 -9.775 -5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.237 -10.284 -3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.872 -9.625 -3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.631 -5.718 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.949 -5.916 -5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.717 -7.178 -6.815 1.00 0.00 H new ATOM 275 N ASP A 20 -6.395 -9.501 -1.126 1.00 0.00 N ATOM 276 CA ASP A 20 -5.543 -10.523 -0.528 1.00 0.00 C ATOM 277 C ASP A 20 -5.565 -11.803 -1.357 1.00 0.00 C ATOM 278 O ASP A 20 -6.157 -11.845 -2.435 1.00 0.00 O ATOM 279 CB ASP A 20 -5.995 -10.819 0.903 1.00 0.00 C ATOM 280 CG ASP A 20 -4.885 -10.612 1.915 1.00 0.00 C ATOM 281 OD1 ASP A 20 -4.271 -9.525 1.907 1.00 0.00 O ATOM 282 OD2 ASP A 20 -4.630 -11.537 2.714 1.00 0.00 O ATOM 0 H ASP A 20 -7.259 -9.320 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.521 -10.143 -0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.838 -10.175 1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.351 -11.848 0.963 1.00 0.00 H new ATOM 287 N GLU A 21 -4.916 -12.844 -0.846 1.00 0.00 N ATOM 288 CA GLU A 21 -4.860 -14.125 -1.541 1.00 0.00 C ATOM 289 C GLU A 21 -5.061 -15.282 -0.567 1.00 0.00 C ATOM 290 O GLU A 21 -4.529 -15.272 0.543 1.00 0.00 O ATOM 291 CB GLU A 21 -3.521 -14.280 -2.265 1.00 0.00 C ATOM 292 CG GLU A 21 -3.485 -15.447 -3.236 1.00 0.00 C ATOM 293 CD GLU A 21 -2.083 -15.980 -3.457 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.198 -15.684 -2.628 1.00 0.00 O ATOM 295 OE2 GLU A 21 -1.871 -16.693 -4.460 1.00 0.00 O ATOM 0 H GLU A 21 -4.422 -12.826 0.046 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.666 -14.146 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.303 -13.360 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.731 -14.409 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.119 -16.249 -2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.905 -15.133 -4.192 1.00 0.00 H new ATOM 383 N PRO A 27 -14.980 -15.175 -3.553 1.00 0.00 N ATOM 384 CA PRO A 27 -13.665 -15.116 -4.197 1.00 0.00 C ATOM 385 C PRO A 27 -12.795 -13.996 -3.637 1.00 0.00 C ATOM 386 O PRO A 27 -13.287 -13.093 -2.960 1.00 0.00 O ATOM 387 CB PRO A 27 -14.001 -14.849 -5.666 1.00 0.00 C ATOM 388 CG PRO A 27 -15.328 -14.175 -5.634 1.00 0.00 C ATOM 389 CD PRO A 27 -16.063 -14.761 -4.461 1.00 0.00 C ATOM 0 HA PRO A 27 -13.091 -16.029 -4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.247 -14.217 -6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.041 -15.776 -6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.215 -13.096 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.875 -14.346 -6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.722 -14.029 -3.993 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.684 -15.606 -4.757 1.00 0.00 H new ATOM 397 N LYS A 28 -11.499 -14.060 -3.924 1.00 0.00 N ATOM 398 CA LYS A 28 -10.559 -13.050 -3.451 1.00 0.00 C ATOM 399 C LYS A 28 -11.183 -11.660 -3.504 1.00 0.00 C ATOM 400 O LYS A 28 -11.130 -10.983 -4.531 1.00 0.00 O ATOM 401 CB LYS A 28 -9.281 -13.080 -4.292 1.00 0.00 C ATOM 402 CG LYS A 28 -8.284 -14.135 -3.845 1.00 0.00 C ATOM 403 CD LYS A 28 -7.128 -14.260 -4.824 1.00 0.00 C ATOM 404 CE LYS A 28 -7.623 -14.452 -6.249 1.00 0.00 C ATOM 405 NZ LYS A 28 -6.591 -15.090 -7.113 1.00 0.00 N ATOM 0 H LYS A 28 -11.075 -14.801 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.310 -13.278 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.546 -13.260 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.805 -12.101 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.900 -13.879 -2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.788 -15.097 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.507 -13.366 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.499 -15.103 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.522 -15.068 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.902 -13.486 -6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.967 -15.204 -8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.742 -14.490 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.343 -16.023 -6.726 1.00 0.00 H new ATOM 419 N LYS A 29 -11.773 -11.238 -2.390 1.00 0.00 N ATOM 420 CA LYS A 29 -12.405 -9.926 -2.308 1.00 0.00 C ATOM 421 C LYS A 29 -11.379 -8.848 -1.972 1.00 0.00 C ATOM 422 O LYS A 29 -10.237 -9.151 -1.626 1.00 0.00 O ATOM 423 CB LYS A 29 -13.514 -9.937 -1.253 1.00 0.00 C ATOM 424 CG LYS A 29 -14.275 -11.249 -1.185 1.00 0.00 C ATOM 425 CD LYS A 29 -15.337 -11.222 -0.098 1.00 0.00 C ATOM 426 CE LYS A 29 -16.719 -11.515 -0.662 1.00 0.00 C ATOM 427 NZ LYS A 29 -17.354 -10.296 -1.235 1.00 0.00 N ATOM 0 H LYS A 29 -11.827 -11.786 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.840 -9.698 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.077 -9.729 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.215 -9.130 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.744 -11.449 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.578 -12.065 -0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.093 -11.957 0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.340 -10.245 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.641 -12.281 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.355 -11.919 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -18.294 -10.537 -1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.451 -9.574 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.761 -9.924 -2.004 1.00 0.00 H new ATOM 441 N SER A 30 -11.795 -7.590 -2.074 1.00 0.00 N ATOM 442 CA SER A 30 -10.911 -6.467 -1.783 1.00 0.00 C ATOM 443 C SER A 30 -10.899 -6.158 -0.289 1.00 0.00 C ATOM 444 O SER A 30 -11.945 -6.137 0.361 1.00 0.00 O ATOM 445 CB SER A 30 -11.349 -5.229 -2.568 1.00 0.00 C ATOM 446 OG SER A 30 -12.708 -4.918 -2.312 1.00 0.00 O ATOM 0 H SER A 30 -12.738 -7.323 -2.356 1.00 0.00 H new ATOM 0 HA SER A 30 -9.901 -6.743 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.721 -4.381 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.207 -5.402 -3.635 1.00 0.00 H new ATOM 0 HG SER A 30 -12.963 -4.122 -2.824 1.00 0.00 H new ATOM 452 N CYS A 31 -9.708 -5.919 0.250 1.00 0.00 N ATOM 453 CA CYS A 31 -9.558 -5.612 1.667 1.00 0.00 C ATOM 454 C CYS A 31 -10.749 -4.807 2.179 1.00 0.00 C ATOM 455 O CYS A 31 -11.373 -5.169 3.177 1.00 0.00 O ATOM 456 CB CYS A 31 -8.262 -4.834 1.906 1.00 0.00 C ATOM 457 SG CYS A 31 -8.344 -3.664 3.300 1.00 0.00 S ATOM 0 H CYS A 31 -8.833 -5.932 -0.274 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.516 -6.553 2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.454 -5.542 2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.008 -4.285 0.999 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.629 -2.613 3.027 1.00 0.00 H new ATOM 462 N ASP A 32 -11.058 -3.715 1.489 1.00 0.00 N ATOM 463 CA ASP A 32 -12.176 -2.860 1.872 1.00 0.00 C ATOM 464 C ASP A 32 -11.852 -2.080 3.142 1.00 0.00 C ATOM 465 O ASP A 32 -11.508 -2.664 4.170 1.00 0.00 O ATOM 466 CB ASP A 32 -13.439 -3.697 2.080 1.00 0.00 C ATOM 467 CG ASP A 32 -14.678 -3.022 1.525 1.00 0.00 C ATOM 468 OD1 ASP A 32 -15.081 -1.976 2.074 1.00 0.00 O ATOM 469 OD2 ASP A 32 -15.244 -3.541 0.540 1.00 0.00 O ATOM 0 H ASP A 32 -10.551 -3.401 0.662 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.351 -2.149 1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.312 -4.667 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.577 -3.884 3.145 1.00 0.00 H new ATOM 474 N ARG A 33 -11.963 -0.758 3.064 1.00 0.00 N ATOM 475 CA ARG A 33 -11.680 0.102 4.206 1.00 0.00 C ATOM 476 C ARG A 33 -12.117 1.537 3.928 1.00 0.00 C ATOM 477 O ARG A 33 -12.431 1.894 2.792 1.00 0.00 O ATOM 478 CB ARG A 33 -10.188 0.068 4.540 1.00 0.00 C ATOM 479 CG ARG A 33 -9.893 0.194 6.026 1.00 0.00 C ATOM 480 CD ARG A 33 -10.711 -0.795 6.842 1.00 0.00 C ATOM 481 NE ARG A 33 -11.910 -0.180 7.404 1.00 0.00 N ATOM 482 CZ ARG A 33 -11.920 0.509 8.540 1.00 0.00 C ATOM 483 NH1 ARG A 33 -10.799 0.671 9.230 1.00 0.00 N ATOM 484 NH2 ARG A 33 -13.051 1.039 8.987 1.00 0.00 N ATOM 0 H ARG A 33 -12.247 -0.259 2.221 1.00 0.00 H new ATOM 0 HA ARG A 33 -12.245 -0.273 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.763 -0.866 4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.687 0.877 4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.831 0.023 6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.112 1.209 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.997 -1.637 6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.097 -1.195 7.649 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.789 -0.285 6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.927 0.266 8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.809 1.200 10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.915 0.918 8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.057 1.568 9.859 1.00 0.00 H new ATOM 498 N THR A 34 -12.135 2.358 4.974 1.00 0.00 N ATOM 499 CA THR A 34 -12.535 3.754 4.843 1.00 0.00 C ATOM 500 C THR A 34 -11.632 4.664 5.668 1.00 0.00 C ATOM 501 O THR A 34 -11.650 4.623 6.898 1.00 0.00 O ATOM 502 CB THR A 34 -13.996 3.963 5.283 1.00 0.00 C ATOM 503 OG1 THR A 34 -14.239 3.277 6.516 1.00 0.00 O ATOM 504 CG2 THR A 34 -14.959 3.460 4.219 1.00 0.00 C ATOM 0 H THR A 34 -11.877 2.080 5.921 1.00 0.00 H new ATOM 0 HA THR A 34 -12.441 4.013 3.788 1.00 0.00 H new ATOM 0 HB THR A 34 -14.161 5.031 5.423 1.00 0.00 H new ATOM 0 HG1 THR A 34 -13.487 3.425 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.985 3.618 4.552 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.791 4.005 3.290 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.792 2.396 4.051 1.00 0.00 H new ATOM 512 N PHE A 35 -10.843 5.485 4.983 1.00 0.00 N ATOM 513 CA PHE A 35 -9.932 6.406 5.654 1.00 0.00 C ATOM 514 C PHE A 35 -10.285 7.854 5.327 1.00 0.00 C ATOM 515 O PHE A 35 -10.933 8.134 4.318 1.00 0.00 O ATOM 516 CB PHE A 35 -8.487 6.116 5.243 1.00 0.00 C ATOM 517 CG PHE A 35 -8.162 4.651 5.185 1.00 0.00 C ATOM 518 CD1 PHE A 35 -7.865 3.948 6.342 1.00 0.00 C ATOM 519 CD2 PHE A 35 -8.156 3.977 3.975 1.00 0.00 C ATOM 520 CE1 PHE A 35 -7.565 2.600 6.291 1.00 0.00 C ATOM 521 CE2 PHE A 35 -7.857 2.628 3.918 1.00 0.00 C ATOM 522 CZ PHE A 35 -7.562 1.939 5.078 1.00 0.00 C ATOM 0 H PHE A 35 -10.816 5.532 3.964 1.00 0.00 H new ATOM 0 HA PHE A 35 -10.033 6.260 6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.300 6.560 4.265 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.813 6.602 5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.868 4.459 7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.388 4.511 3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.333 2.063 7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -7.854 2.114 2.968 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.329 0.885 5.037 1.00 0.00 H new ATOM 532 N SER A 36 -9.855 8.771 6.188 1.00 0.00 N ATOM 533 CA SER A 36 -10.128 10.190 5.994 1.00 0.00 C ATOM 534 C SER A 36 -8.905 10.907 5.433 1.00 0.00 C ATOM 535 O SER A 36 -9.026 11.823 4.618 1.00 0.00 O ATOM 536 CB SER A 36 -10.550 10.835 7.316 1.00 0.00 C ATOM 537 OG SER A 36 -11.861 10.440 7.681 1.00 0.00 O ATOM 0 H SER A 36 -9.316 8.556 7.027 1.00 0.00 H new ATOM 0 HA SER A 36 -10.943 10.283 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.850 10.552 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.506 11.920 7.225 1.00 0.00 H new ATOM 0 HG SER A 36 -12.106 10.864 8.530 1.00 0.00 H new ATOM 543 N THR A 37 -7.724 10.484 5.874 1.00 0.00 N ATOM 544 CA THR A 37 -6.477 11.086 5.418 1.00 0.00 C ATOM 545 C THR A 37 -5.682 10.114 4.553 1.00 0.00 C ATOM 546 O THR A 37 -5.712 8.904 4.775 1.00 0.00 O ATOM 547 CB THR A 37 -5.602 11.533 6.604 1.00 0.00 C ATOM 548 OG1 THR A 37 -5.341 10.421 7.467 1.00 0.00 O ATOM 549 CG2 THR A 37 -6.284 12.643 7.391 1.00 0.00 C ATOM 0 H THR A 37 -7.605 9.727 6.547 1.00 0.00 H new ATOM 0 HA THR A 37 -6.746 11.960 4.825 1.00 0.00 H new ATOM 0 HB THR A 37 -4.660 11.914 6.209 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.783 10.713 8.217 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.648 12.943 8.224 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.455 13.499 6.739 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.238 12.283 7.775 1.00 0.00 H new ATOM 557 N MET A 38 -4.972 10.652 3.567 1.00 0.00 N ATOM 558 CA MET A 38 -4.166 9.832 2.670 1.00 0.00 C ATOM 559 C MET A 38 -3.067 9.105 3.438 1.00 0.00 C ATOM 560 O MET A 38 -2.640 8.017 3.050 1.00 0.00 O ATOM 561 CB MET A 38 -3.550 10.696 1.569 1.00 0.00 C ATOM 562 CG MET A 38 -3.279 9.937 0.280 1.00 0.00 C ATOM 563 SD MET A 38 -4.774 9.656 -0.688 1.00 0.00 S ATOM 564 CE MET A 38 -4.720 7.877 -0.886 1.00 0.00 C ATOM 0 H MET A 38 -4.938 11.652 3.369 1.00 0.00 H new ATOM 0 HA MET A 38 -4.819 9.088 2.214 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.219 11.530 1.356 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.615 11.122 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.561 10.495 -0.321 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.819 8.978 0.518 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.439 7.574 -1.647 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.718 7.575 -1.192 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.970 7.398 0.061 1.00 0.00 H new ATOM 574 N HIS A 39 -2.612 9.713 4.529 1.00 0.00 N ATOM 575 CA HIS A 39 -1.561 9.124 5.351 1.00 0.00 C ATOM 576 C HIS A 39 -1.979 7.748 5.862 1.00 0.00 C ATOM 577 O HIS A 39 -1.225 6.781 5.755 1.00 0.00 O ATOM 578 CB HIS A 39 -1.232 10.040 6.530 1.00 0.00 C ATOM 579 CG HIS A 39 0.189 9.937 6.990 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.541 9.558 8.269 1.00 0.00 N ATOM 581 CD2 HIS A 39 1.351 10.165 6.334 1.00 0.00 C ATOM 582 CE1 HIS A 39 1.857 9.558 8.379 1.00 0.00 C ATOM 583 NE2 HIS A 39 2.373 9.922 7.219 1.00 0.00 N ATOM 0 H HIS A 39 -2.955 10.613 4.864 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.671 9.008 4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.440 11.072 6.247 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.893 9.799 7.362 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.455 10.479 5.306 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.416 9.303 9.267 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.368 10.009 7.014 1.00 0.00 H new ATOM 591 N GLU A 40 -3.185 7.669 6.417 1.00 0.00 N ATOM 592 CA GLU A 40 -3.701 6.412 6.945 1.00 0.00 C ATOM 593 C GLU A 40 -3.553 5.290 5.921 1.00 0.00 C ATOM 594 O GLU A 40 -2.879 4.290 6.171 1.00 0.00 O ATOM 595 CB GLU A 40 -5.170 6.565 7.342 1.00 0.00 C ATOM 596 CG GLU A 40 -5.384 7.456 8.554 1.00 0.00 C ATOM 597 CD GLU A 40 -5.344 6.685 9.860 1.00 0.00 C ATOM 598 OE1 GLU A 40 -4.790 5.566 9.870 1.00 0.00 O ATOM 599 OE2 GLU A 40 -5.865 7.201 10.870 1.00 0.00 O ATOM 0 H GLU A 40 -3.822 8.460 6.512 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.119 6.152 7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.725 6.975 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.586 5.579 7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.618 8.231 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.346 7.961 8.464 1.00 0.00 H new ATOM 606 N LEU A 41 -4.189 5.463 4.768 1.00 0.00 N ATOM 607 CA LEU A 41 -4.130 4.465 3.705 1.00 0.00 C ATOM 608 C LEU A 41 -2.702 3.969 3.502 1.00 0.00 C ATOM 609 O LEU A 41 -2.456 2.765 3.434 1.00 0.00 O ATOM 610 CB LEU A 41 -4.669 5.051 2.398 1.00 0.00 C ATOM 611 CG LEU A 41 -4.749 4.088 1.214 1.00 0.00 C ATOM 612 CD1 LEU A 41 -5.228 2.719 1.670 1.00 0.00 C ATOM 613 CD2 LEU A 41 -5.668 4.644 0.135 1.00 0.00 C ATOM 0 H LEU A 41 -4.751 6.284 4.545 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.750 3.619 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.667 5.448 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.039 5.893 2.114 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.750 3.979 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.279 2.047 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.532 2.317 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.217 2.810 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.713 3.945 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.668 4.784 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.282 5.602 -0.214 1.00 0.00 H new ATOM 625 N VAL A 42 -1.764 4.906 3.408 1.00 0.00 N ATOM 626 CA VAL A 42 -0.359 4.564 3.217 1.00 0.00 C ATOM 627 C VAL A 42 0.183 3.781 4.408 1.00 0.00 C ATOM 628 O VAL A 42 0.938 2.822 4.244 1.00 0.00 O ATOM 629 CB VAL A 42 0.502 5.824 3.010 1.00 0.00 C ATOM 630 CG1 VAL A 42 1.953 5.444 2.758 1.00 0.00 C ATOM 631 CG2 VAL A 42 -0.045 6.660 1.862 1.00 0.00 C ATOM 0 H VAL A 42 -1.951 5.907 3.461 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.303 3.944 2.322 1.00 0.00 H new ATOM 0 HB VAL A 42 0.461 6.424 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.546 6.347 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.338 4.890 3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.016 4.822 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.575 7.546 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.035 6.070 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.067 6.963 2.088 1.00 0.00 H new ATOM 641 N THR A 43 -0.207 4.196 5.609 1.00 0.00 N ATOM 642 CA THR A 43 0.240 3.535 6.828 1.00 0.00 C ATOM 643 C THR A 43 -0.544 2.251 7.076 1.00 0.00 C ATOM 644 O THR A 43 -0.148 1.419 7.893 1.00 0.00 O ATOM 645 CB THR A 43 0.093 4.457 8.053 1.00 0.00 C ATOM 646 OG1 THR A 43 1.354 5.057 8.369 1.00 0.00 O ATOM 647 CG2 THR A 43 -0.420 3.681 9.257 1.00 0.00 C ATOM 0 H THR A 43 -0.832 4.987 5.763 1.00 0.00 H new ATOM 0 HA THR A 43 1.294 3.293 6.689 1.00 0.00 H new ATOM 0 HB THR A 43 -0.629 5.236 7.808 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.251 5.643 9.148 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.516 4.353 10.110 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.394 3.250 9.024 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.281 2.883 9.501 1.00 0.00 H new ATOM 655 N HIS A 44 -1.657 2.096 6.366 1.00 0.00 N ATOM 656 CA HIS A 44 -2.496 0.911 6.509 1.00 0.00 C ATOM 657 C HIS A 44 -1.907 -0.267 5.740 1.00 0.00 C ATOM 658 O HIS A 44 -1.500 -1.267 6.332 1.00 0.00 O ATOM 659 CB HIS A 44 -3.913 1.201 6.014 1.00 0.00 C ATOM 660 CG HIS A 44 -4.718 -0.033 5.746 1.00 0.00 C ATOM 661 ND1 HIS A 44 -5.757 -0.444 6.554 1.00 0.00 N ATOM 662 CD2 HIS A 44 -4.633 -0.947 4.751 1.00 0.00 C ATOM 663 CE1 HIS A 44 -6.275 -1.558 6.069 1.00 0.00 C ATOM 664 NE2 HIS A 44 -5.611 -1.884 4.975 1.00 0.00 N ATOM 0 H HIS A 44 -1.999 2.775 5.686 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.535 0.649 7.566 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.431 1.809 6.756 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.856 1.793 5.101 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.927 -0.940 3.933 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.101 -2.109 6.495 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.795 -2.700 4.391 1.00 0.00 H new ATOM 672 N VAL A 45 -1.865 -0.143 4.417 1.00 0.00 N ATOM 673 CA VAL A 45 -1.326 -1.198 3.567 1.00 0.00 C ATOM 674 C VAL A 45 0.104 -1.547 3.964 1.00 0.00 C ATOM 675 O VAL A 45 0.650 -2.563 3.533 1.00 0.00 O ATOM 676 CB VAL A 45 -1.349 -0.789 2.082 1.00 0.00 C ATOM 677 CG1 VAL A 45 -0.907 -1.947 1.202 1.00 0.00 C ATOM 678 CG2 VAL A 45 -2.735 -0.305 1.685 1.00 0.00 C ATOM 0 H VAL A 45 -2.198 0.678 3.911 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.962 -2.072 3.706 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.647 0.033 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.930 -1.639 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.107 -2.242 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.581 -2.791 1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.733 -0.020 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.459 -1.104 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.008 0.557 2.294 1.00 0.00 H new ATOM 688 N THR A 46 0.707 -0.697 4.790 1.00 0.00 N ATOM 689 CA THR A 46 2.074 -0.915 5.246 1.00 0.00 C ATOM 690 C THR A 46 2.146 -2.074 6.234 1.00 0.00 C ATOM 691 O THR A 46 2.771 -3.098 5.959 1.00 0.00 O ATOM 692 CB THR A 46 2.652 0.348 5.911 1.00 0.00 C ATOM 693 OG1 THR A 46 3.090 1.273 4.909 1.00 0.00 O ATOM 694 CG2 THR A 46 3.816 -0.006 6.825 1.00 0.00 C ATOM 0 H THR A 46 0.270 0.149 5.157 1.00 0.00 H new ATOM 0 HA THR A 46 2.667 -1.156 4.364 1.00 0.00 H new ATOM 0 HB THR A 46 1.866 0.808 6.511 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.354 1.878 4.678 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.208 0.902 7.283 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.473 -0.687 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.602 -0.487 6.243 1.00 0.00 H new ATOM 702 N MET A 47 1.503 -1.906 7.385 1.00 0.00 N ATOM 703 CA MET A 47 1.494 -2.940 8.413 1.00 0.00 C ATOM 704 C MET A 47 0.286 -3.857 8.250 1.00 0.00 C ATOM 705 O MET A 47 0.414 -5.080 8.300 1.00 0.00 O ATOM 706 CB MET A 47 1.482 -2.305 9.805 1.00 0.00 C ATOM 707 CG MET A 47 0.137 -2.400 10.505 1.00 0.00 C ATOM 708 SD MET A 47 0.163 -1.685 12.160 1.00 0.00 S ATOM 709 CE MET A 47 0.568 0.019 11.786 1.00 0.00 C ATOM 0 H MET A 47 0.982 -1.064 7.629 1.00 0.00 H new ATOM 0 HA MET A 47 2.399 -3.537 8.301 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.239 -2.789 10.423 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.764 -1.256 9.719 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.617 -1.890 9.905 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.161 -3.446 10.570 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.280 0.654 12.624 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.641 0.109 11.614 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.030 0.333 10.892 1.00 0.00 H new ATOM 719 N GLU A 48 -0.885 -3.258 8.054 1.00 0.00 N ATOM 720 CA GLU A 48 -2.115 -4.023 7.885 1.00 0.00 C ATOM 721 C GLU A 48 -1.944 -5.099 6.816 1.00 0.00 C ATOM 722 O GLU A 48 -2.434 -6.219 6.963 1.00 0.00 O ATOM 723 CB GLU A 48 -3.272 -3.095 7.510 1.00 0.00 C ATOM 724 CG GLU A 48 -3.396 -1.881 8.416 1.00 0.00 C ATOM 725 CD GLU A 48 -3.550 -2.257 9.877 1.00 0.00 C ATOM 726 OE1 GLU A 48 -2.576 -2.772 10.463 1.00 0.00 O ATOM 727 OE2 GLU A 48 -4.646 -2.035 10.433 1.00 0.00 O ATOM 0 H GLU A 48 -1.007 -2.246 8.008 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.343 -4.510 8.833 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.138 -2.759 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.204 -3.659 7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.514 -1.252 8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.255 -1.286 8.105 1.00 0.00 H new ATOM 734 N HIS A 49 -1.246 -4.749 5.740 1.00 0.00 N ATOM 735 CA HIS A 49 -1.010 -5.684 4.645 1.00 0.00 C ATOM 736 C HIS A 49 0.465 -6.065 4.565 1.00 0.00 C ATOM 737 O HIS A 49 0.870 -7.124 5.045 1.00 0.00 O ATOM 738 CB HIS A 49 -1.464 -5.074 3.319 1.00 0.00 C ATOM 739 CG HIS A 49 -2.951 -4.936 3.200 1.00 0.00 C ATOM 740 ND1 HIS A 49 -3.834 -5.885 3.671 1.00 0.00 N ATOM 741 CD2 HIS A 49 -3.709 -3.953 2.662 1.00 0.00 C ATOM 742 CE1 HIS A 49 -5.071 -5.491 3.426 1.00 0.00 C ATOM 743 NE2 HIS A 49 -5.023 -4.321 2.815 1.00 0.00 N ATOM 0 H HIS A 49 -0.834 -3.826 5.603 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.590 -6.586 4.838 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.006 -4.091 3.205 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.098 -5.693 2.500 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.348 -3.047 2.198 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.969 -6.034 3.682 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -5.830 -3.779 2.507 1.00 0.00 H new ATOM 751 N VAL A 50 1.264 -5.196 3.954 1.00 0.00 N ATOM 752 CA VAL A 50 2.694 -5.442 3.810 1.00 0.00 C ATOM 753 C VAL A 50 3.288 -5.998 5.100 1.00 0.00 C ATOM 754 O VAL A 50 4.321 -6.664 5.082 1.00 0.00 O ATOM 755 CB VAL A 50 3.448 -4.156 3.423 1.00 0.00 C ATOM 756 CG1 VAL A 50 4.795 -4.095 4.126 1.00 0.00 C ATOM 757 CG2 VAL A 50 3.621 -4.074 1.914 1.00 0.00 C ATOM 0 H VAL A 50 0.945 -4.315 3.551 1.00 0.00 H new ATOM 0 HA VAL A 50 2.811 -6.177 3.013 1.00 0.00 H new ATOM 0 HB VAL A 50 2.858 -3.298 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.313 -3.180 3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.643 -4.104 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.396 -4.957 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.156 -3.159 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.190 -4.936 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.642 -4.068 1.435 1.00 0.00 H new ATOM 767 N GLY A 51 2.626 -5.718 6.219 1.00 0.00 N ATOM 768 CA GLY A 51 3.103 -6.198 7.502 1.00 0.00 C ATOM 769 C GLY A 51 4.156 -5.291 8.105 1.00 0.00 C ATOM 770 O GLY A 51 4.040 -4.871 9.256 1.00 0.00 O ATOM 0 H GLY A 51 1.768 -5.167 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.262 -6.281 8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.516 -7.199 7.381 1.00 0.00 H new ATOM 774 N GLY A 52 5.190 -4.987 7.327 1.00 0.00 N ATOM 775 CA GLY A 52 6.255 -4.127 7.809 1.00 0.00 C ATOM 776 C GLY A 52 7.632 -4.668 7.480 1.00 0.00 C ATOM 777 O GLY A 52 7.802 -5.484 6.574 1.00 0.00 O ATOM 0 H GLY A 52 5.309 -5.321 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.143 -3.135 7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.163 -4.010 8.889 1.00 0.00 H new ATOM 781 N PRO A 53 8.646 -4.209 8.228 1.00 0.00 N ATOM 782 CA PRO A 53 10.034 -4.639 8.029 1.00 0.00 C ATOM 783 C PRO A 53 10.256 -6.090 8.443 1.00 0.00 C ATOM 784 O PRO A 53 11.367 -6.610 8.341 1.00 0.00 O ATOM 785 CB PRO A 53 10.830 -3.697 8.935 1.00 0.00 C ATOM 786 CG PRO A 53 9.865 -3.280 9.991 1.00 0.00 C ATOM 787 CD PRO A 53 8.517 -3.236 9.326 1.00 0.00 C ATOM 0 HA PRO A 53 10.329 -4.594 6.980 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.695 -4.200 9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.205 -2.837 8.380 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.867 -3.985 10.822 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.131 -2.305 10.399 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.719 -3.512 10.016 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.285 -2.238 8.954 1.00 0.00 H new ATOM 795 N GLU A 54 9.193 -6.737 8.910 1.00 0.00 N ATOM 796 CA GLU A 54 9.274 -8.128 9.339 1.00 0.00 C ATOM 797 C GLU A 54 8.135 -8.949 8.741 1.00 0.00 C ATOM 798 O GLU A 54 7.221 -9.369 9.450 1.00 0.00 O ATOM 799 CB GLU A 54 9.234 -8.217 10.866 1.00 0.00 C ATOM 800 CG GLU A 54 10.563 -7.896 11.529 1.00 0.00 C ATOM 801 CD GLU A 54 10.978 -8.945 12.542 1.00 0.00 C ATOM 802 OE1 GLU A 54 11.219 -10.101 12.135 1.00 0.00 O ATOM 803 OE2 GLU A 54 11.062 -8.610 13.743 1.00 0.00 O ATOM 0 H GLU A 54 8.266 -6.320 9.001 1.00 0.00 H new ATOM 0 HA GLU A 54 10.220 -8.537 8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.475 -7.531 11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.927 -9.222 11.155 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.335 -7.810 10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.494 -6.927 12.023 1.00 0.00 H new ATOM 810 N GLN A 55 8.199 -9.173 7.432 1.00 0.00 N ATOM 811 CA GLN A 55 7.173 -9.942 6.739 1.00 0.00 C ATOM 812 C GLN A 55 7.800 -11.022 5.864 1.00 0.00 C ATOM 813 O GLN A 55 8.992 -10.974 5.560 1.00 0.00 O ATOM 814 CB GLN A 55 6.303 -9.019 5.884 1.00 0.00 C ATOM 815 CG GLN A 55 4.875 -9.513 5.714 1.00 0.00 C ATOM 816 CD GLN A 55 4.446 -9.566 4.261 1.00 0.00 C ATOM 817 OE1 GLN A 55 3.612 -8.776 3.819 1.00 0.00 O ATOM 818 NE2 GLN A 55 5.015 -10.501 3.509 1.00 0.00 N ATOM 0 H GLN A 55 8.950 -8.833 6.831 1.00 0.00 H new ATOM 0 HA GLN A 55 6.548 -10.425 7.490 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.284 -8.028 6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.760 -8.910 4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.784 -10.507 6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.200 -8.858 6.265 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.702 -11.135 3.917 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.765 -10.585 2.524 1.00 0.00 H new ATOM 827 N ASN A 56 6.990 -11.996 5.461 1.00 0.00 N ATOM 828 CA ASN A 56 7.467 -13.089 4.622 1.00 0.00 C ATOM 829 C ASN A 56 6.916 -12.966 3.204 1.00 0.00 C ATOM 830 O ASN A 56 5.735 -13.215 2.963 1.00 0.00 O ATOM 831 CB ASN A 56 7.062 -14.436 5.223 1.00 0.00 C ATOM 832 CG ASN A 56 8.124 -14.998 6.149 1.00 0.00 C ATOM 833 OD1 ASN A 56 8.792 -14.256 6.868 1.00 0.00 O ATOM 834 ND2 ASN A 56 8.283 -16.317 6.134 1.00 0.00 N ATOM 0 H ASN A 56 6.000 -12.050 5.702 1.00 0.00 H new ATOM 0 HA ASN A 56 8.555 -13.031 4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.128 -14.319 5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.871 -15.147 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.982 -16.753 6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.706 -16.893 5.521 1.00 0.00 H new ATOM 841 N ASN A 57 7.779 -12.581 2.271 1.00 0.00 N ATOM 842 CA ASN A 57 7.379 -12.425 0.877 1.00 0.00 C ATOM 843 C ASN A 57 6.697 -11.079 0.654 1.00 0.00 C ATOM 844 O ASN A 57 5.503 -10.926 0.914 1.00 0.00 O ATOM 845 CB ASN A 57 6.440 -13.560 0.464 1.00 0.00 C ATOM 846 CG ASN A 57 6.631 -13.972 -0.983 1.00 0.00 C ATOM 847 OD1 ASN A 57 6.379 -15.119 -1.352 1.00 0.00 O ATOM 848 ND2 ASN A 57 7.080 -13.035 -1.810 1.00 0.00 N ATOM 0 H ASN A 57 8.760 -12.371 2.454 1.00 0.00 H new ATOM 0 HA ASN A 57 8.277 -12.463 0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.610 -14.422 1.110 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.407 -13.247 0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.229 -13.253 -2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.276 -12.097 -1.460 1.00 0.00 H new ATOM 855 N HIS A 58 7.463 -10.106 0.171 1.00 0.00 N ATOM 856 CA HIS A 58 6.933 -8.773 -0.089 1.00 0.00 C ATOM 857 C HIS A 58 6.244 -8.717 -1.449 1.00 0.00 C ATOM 858 O HIS A 58 6.896 -8.800 -2.490 1.00 0.00 O ATOM 859 CB HIS A 58 8.053 -7.734 -0.028 1.00 0.00 C ATOM 860 CG HIS A 58 9.020 -7.961 1.093 1.00 0.00 C ATOM 861 ND1 HIS A 58 10.374 -8.131 0.896 1.00 0.00 N ATOM 862 CD2 HIS A 58 8.823 -8.044 2.429 1.00 0.00 C ATOM 863 CE1 HIS A 58 10.968 -8.310 2.063 1.00 0.00 C ATOM 864 NE2 HIS A 58 10.048 -8.262 3.010 1.00 0.00 N ATOM 0 H HIS A 58 8.453 -10.216 -0.048 1.00 0.00 H new ATOM 0 HA HIS A 58 6.196 -8.546 0.681 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.596 -7.742 -0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.612 -6.743 0.078 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.877 -7.955 2.943 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.025 -8.468 2.216 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.220 -8.369 4.010 1.00 0.00 H new ATOM 872 N VAL A 59 4.923 -8.577 -1.433 1.00 0.00 N ATOM 873 CA VAL A 59 4.146 -8.510 -2.665 1.00 0.00 C ATOM 874 C VAL A 59 3.168 -7.340 -2.636 1.00 0.00 C ATOM 875 O VAL A 59 2.665 -6.964 -1.577 1.00 0.00 O ATOM 876 CB VAL A 59 3.362 -9.813 -2.906 1.00 0.00 C ATOM 877 CG1 VAL A 59 2.274 -9.598 -3.947 1.00 0.00 C ATOM 878 CG2 VAL A 59 4.304 -10.930 -3.331 1.00 0.00 C ATOM 0 H VAL A 59 4.368 -8.508 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 59 4.857 -8.366 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 59 2.884 -10.107 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.731 -10.530 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.584 -8.830 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.727 -9.280 -4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.733 -11.844 -3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.812 -10.647 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.043 -11.101 -2.548 1.00 0.00 H new ATOM 888 N CYS A 60 2.903 -6.768 -3.805 1.00 0.00 N ATOM 889 CA CYS A 60 1.985 -5.641 -3.915 1.00 0.00 C ATOM 890 C CYS A 60 0.635 -6.090 -4.467 1.00 0.00 C ATOM 891 O CYS A 60 0.462 -6.225 -5.679 1.00 0.00 O ATOM 892 CB CYS A 60 2.581 -4.557 -4.815 1.00 0.00 C ATOM 893 SG CYS A 60 1.411 -3.233 -5.260 1.00 0.00 S ATOM 0 H CYS A 60 3.311 -7.067 -4.691 1.00 0.00 H new ATOM 0 HA CYS A 60 1.831 -5.231 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.440 -4.114 -4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.952 -5.022 -5.729 1.00 0.00 H new ATOM 0 HG CYS A 60 1.956 -2.076 -5.027 1.00 0.00 H new ATOM 898 N TYR A 61 -0.317 -6.320 -3.570 1.00 0.00 N ATOM 899 CA TYR A 61 -1.651 -6.756 -3.967 1.00 0.00 C ATOM 900 C TYR A 61 -2.561 -5.559 -4.225 1.00 0.00 C ATOM 901 O TYR A 61 -2.679 -4.663 -3.388 1.00 0.00 O ATOM 902 CB TYR A 61 -2.260 -7.650 -2.886 1.00 0.00 C ATOM 903 CG TYR A 61 -1.750 -9.073 -2.919 1.00 0.00 C ATOM 904 CD1 TYR A 61 -2.151 -9.953 -3.916 1.00 0.00 C ATOM 905 CD2 TYR A 61 -0.866 -9.537 -1.952 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.688 -11.254 -3.949 1.00 0.00 C ATOM 907 CE2 TYR A 61 -0.396 -10.836 -1.979 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.810 -11.691 -2.979 1.00 0.00 C ATOM 909 OH TYR A 61 -0.345 -12.985 -3.009 1.00 0.00 O ATOM 0 H TYR A 61 -0.190 -6.212 -2.564 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.560 -7.326 -4.892 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.047 -7.219 -1.908 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.344 -7.659 -3.001 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.837 -9.614 -4.679 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.541 -8.871 -1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.012 -11.926 -4.730 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.292 -11.180 -1.221 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.031 -13.588 -2.653 1.00 0.00 H new ATOM 919 N TRP A 62 -3.203 -5.552 -5.387 1.00 0.00 N ATOM 920 CA TRP A 62 -4.104 -4.466 -5.757 1.00 0.00 C ATOM 921 C TRP A 62 -5.049 -4.898 -6.872 1.00 0.00 C ATOM 922 O TRP A 62 -4.846 -5.935 -7.502 1.00 0.00 O ATOM 923 CB TRP A 62 -3.303 -3.239 -6.197 1.00 0.00 C ATOM 924 CG TRP A 62 -4.019 -1.944 -5.954 1.00 0.00 C ATOM 925 CD1 TRP A 62 -4.459 -1.062 -6.899 1.00 0.00 C ATOM 926 CD2 TRP A 62 -4.374 -1.386 -4.684 1.00 0.00 C ATOM 927 NE1 TRP A 62 -5.067 0.011 -6.293 1.00 0.00 N ATOM 928 CE2 TRP A 62 -5.029 -0.165 -4.935 1.00 0.00 C ATOM 929 CE3 TRP A 62 -4.206 -1.801 -3.361 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -5.512 0.644 -3.910 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -4.685 -0.997 -2.345 1.00 0.00 C ATOM 932 CH2 TRP A 62 -5.333 0.214 -2.623 1.00 0.00 C ATOM 0 H TRP A 62 -3.117 -6.286 -6.090 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.700 -4.208 -4.882 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.352 -3.225 -5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.074 -3.325 -7.259 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -4.346 -1.189 -7.966 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -5.480 0.809 -6.776 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -3.710 -2.734 -3.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -6.010 1.578 -4.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.558 -1.307 -1.318 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.698 0.819 -1.806 1.00 0.00 H new ATOM 943 N GLU A 63 -6.082 -4.096 -7.110 1.00 0.00 N ATOM 944 CA GLU A 63 -7.059 -4.398 -8.150 1.00 0.00 C ATOM 945 C GLU A 63 -6.539 -3.981 -9.523 1.00 0.00 C ATOM 946 O GLU A 63 -6.732 -4.687 -10.512 1.00 0.00 O ATOM 947 CB GLU A 63 -8.384 -3.691 -7.858 1.00 0.00 C ATOM 948 CG GLU A 63 -9.300 -3.590 -9.066 1.00 0.00 C ATOM 949 CD GLU A 63 -10.760 -3.791 -8.709 1.00 0.00 C ATOM 950 OE1 GLU A 63 -11.116 -4.903 -8.267 1.00 0.00 O ATOM 951 OE2 GLU A 63 -11.547 -2.835 -8.872 1.00 0.00 O ATOM 0 H GLU A 63 -6.264 -3.233 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.224 -5.475 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.903 -4.225 -7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.176 -2.688 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.175 -2.612 -9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.005 -4.335 -9.805 1.00 0.00 H new ATOM 958 N GLU A 64 -5.879 -2.828 -9.573 1.00 0.00 N ATOM 959 CA GLU A 64 -5.332 -2.316 -10.825 1.00 0.00 C ATOM 960 C GLU A 64 -3.834 -2.057 -10.698 1.00 0.00 C ATOM 961 O GLU A 64 -3.373 -0.925 -10.848 1.00 0.00 O ATOM 962 CB GLU A 64 -6.051 -1.027 -11.231 1.00 0.00 C ATOM 963 CG GLU A 64 -7.346 -1.266 -11.990 1.00 0.00 C ATOM 964 CD GLU A 64 -8.167 -0.002 -12.154 1.00 0.00 C ATOM 965 OE1 GLU A 64 -7.753 0.878 -12.937 1.00 0.00 O ATOM 966 OE2 GLU A 64 -9.226 0.106 -11.500 1.00 0.00 O ATOM 0 H GLU A 64 -5.710 -2.232 -8.763 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.489 -3.070 -11.596 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.267 -0.444 -10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.383 -0.427 -11.849 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.116 -1.676 -12.974 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.939 -2.014 -11.464 1.00 0.00 H new ATOM 973 N CYS A 65 -3.078 -3.114 -10.420 1.00 0.00 N ATOM 974 CA CYS A 65 -1.632 -3.003 -10.272 1.00 0.00 C ATOM 975 C CYS A 65 -0.913 -3.665 -11.443 1.00 0.00 C ATOM 976 O CYS A 65 -1.345 -4.691 -11.970 1.00 0.00 O ATOM 977 CB CYS A 65 -1.183 -3.642 -8.956 1.00 0.00 C ATOM 978 SG CYS A 65 0.558 -4.180 -8.947 1.00 0.00 S ATOM 0 H CYS A 65 -3.443 -4.058 -10.293 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.373 -1.944 -10.261 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.336 -2.928 -8.147 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.819 -4.502 -8.746 1.00 0.00 H new ATOM 0 HG CYS A 65 1.070 -3.973 -7.770 1.00 0.00 H new ATOM 983 N PRO A 66 0.212 -3.067 -11.862 1.00 0.00 N ATOM 984 CA PRO A 66 1.016 -3.581 -12.974 1.00 0.00 C ATOM 985 C PRO A 66 1.724 -4.885 -12.624 1.00 0.00 C ATOM 986 O PRO A 66 1.766 -5.816 -13.428 1.00 0.00 O ATOM 987 CB PRO A 66 2.037 -2.468 -13.219 1.00 0.00 C ATOM 988 CG PRO A 66 2.149 -1.762 -11.912 1.00 0.00 C ATOM 989 CD PRO A 66 0.786 -1.842 -11.280 1.00 0.00 C ATOM 0 HA PRO A 66 0.403 -3.815 -13.845 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.998 -2.875 -13.533 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.704 -1.792 -14.007 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.901 -2.231 -11.278 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.453 -0.725 -12.053 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.850 -1.905 -10.194 1.00 0.00 H new ATOM 0 HD3 PRO A 66 0.182 -0.965 -11.514 1.00 0.00 H new ATOM 997 N ARG A 67 2.279 -4.946 -11.418 1.00 0.00 N ATOM 998 CA ARG A 67 2.986 -6.137 -10.961 1.00 0.00 C ATOM 999 C ARG A 67 2.009 -7.271 -10.669 1.00 0.00 C ATOM 1000 O ARG A 67 2.407 -8.427 -10.536 1.00 0.00 O ATOM 1001 CB ARG A 67 3.806 -5.820 -9.709 1.00 0.00 C ATOM 1002 CG ARG A 67 4.173 -4.351 -9.576 1.00 0.00 C ATOM 1003 CD ARG A 67 5.577 -4.176 -9.018 1.00 0.00 C ATOM 1004 NE ARG A 67 6.294 -3.086 -9.674 1.00 0.00 N ATOM 1005 CZ ARG A 67 7.609 -2.913 -9.586 1.00 0.00 C ATOM 1006 NH1 ARG A 67 8.345 -3.754 -8.873 1.00 0.00 N ATOM 1007 NH2 ARG A 67 8.189 -1.897 -10.212 1.00 0.00 N ATOM 0 H ARG A 67 2.253 -4.185 -10.740 1.00 0.00 H new ATOM 0 HA ARG A 67 3.659 -6.457 -11.756 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.241 -6.126 -8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.720 -6.414 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.105 -3.868 -10.551 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.456 -3.853 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.520 -3.980 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.135 -5.104 -9.143 1.00 0.00 H new ATOM 0 HE ARG A 67 5.756 -2.421 -10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.902 -4.536 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.354 -3.619 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.626 -1.248 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.198 -1.765 -10.144 1.00 0.00 H new ATOM 1021 N GLU A 68 0.728 -6.930 -10.569 1.00 0.00 N ATOM 1022 CA GLU A 68 -0.306 -7.920 -10.291 1.00 0.00 C ATOM 1023 C GLU A 68 0.018 -8.704 -9.022 1.00 0.00 C ATOM 1024 O GLU A 68 -0.570 -9.752 -8.759 1.00 0.00 O ATOM 1025 CB GLU A 68 -0.455 -8.881 -11.473 1.00 0.00 C ATOM 1026 CG GLU A 68 -0.220 -8.225 -12.823 1.00 0.00 C ATOM 1027 CD GLU A 68 -0.535 -9.149 -13.983 1.00 0.00 C ATOM 1028 OE1 GLU A 68 -0.929 -10.307 -13.728 1.00 0.00 O ATOM 1029 OE2 GLU A 68 -0.387 -8.716 -15.145 1.00 0.00 O ATOM 0 H GLU A 68 0.382 -5.977 -10.676 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.247 -7.392 -10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.248 -9.705 -11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.456 -9.311 -11.457 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.836 -7.329 -12.899 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.819 -7.904 -12.891 1.00 0.00 H new ATOM 1036 N GLY A 69 0.961 -8.187 -8.239 1.00 0.00 N ATOM 1037 CA GLY A 69 1.348 -8.851 -7.008 1.00 0.00 C ATOM 1038 C GLY A 69 2.576 -9.722 -7.181 1.00 0.00 C ATOM 1039 O GLY A 69 2.811 -10.641 -6.395 1.00 0.00 O ATOM 0 H GLY A 69 1.463 -7.321 -8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.543 -8.102 -6.240 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.519 -9.463 -6.653 1.00 0.00 H new ATOM 1043 N LYS A 70 3.362 -9.436 -8.213 1.00 0.00 N ATOM 1044 CA LYS A 70 4.573 -10.200 -8.488 1.00 0.00 C ATOM 1045 C LYS A 70 5.391 -10.401 -7.216 1.00 0.00 C ATOM 1046 O LYS A 70 5.286 -11.435 -6.557 1.00 0.00 O ATOM 1047 CB LYS A 70 5.421 -9.488 -9.545 1.00 0.00 C ATOM 1048 CG LYS A 70 5.435 -10.194 -10.890 1.00 0.00 C ATOM 1049 CD LYS A 70 6.684 -9.852 -11.685 1.00 0.00 C ATOM 1050 CE LYS A 70 7.258 -11.081 -12.375 1.00 0.00 C ATOM 1051 NZ LYS A 70 8.033 -10.720 -13.595 1.00 0.00 N ATOM 0 H LYS A 70 3.182 -8.680 -8.873 1.00 0.00 H new ATOM 0 HA LYS A 70 4.277 -11.178 -8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.043 -8.475 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.444 -9.400 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.384 -11.272 -10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.550 -9.911 -11.460 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.446 -9.093 -12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.434 -9.423 -11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.903 -11.619 -11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.447 -11.757 -12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.408 -11.584 -14.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.411 -10.229 -14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.822 -10.095 -13.333 1.00 0.00 H new ATOM 1065 N SER A 71 6.203 -9.405 -6.877 1.00 0.00 N ATOM 1066 CA SER A 71 7.040 -9.474 -5.685 1.00 0.00 C ATOM 1067 C SER A 71 8.172 -8.453 -5.756 1.00 0.00 C ATOM 1068 O SER A 71 8.465 -7.907 -6.819 1.00 0.00 O ATOM 1069 CB SER A 71 7.617 -10.882 -5.522 1.00 0.00 C ATOM 1070 OG SER A 71 7.958 -11.442 -6.778 1.00 0.00 O ATOM 0 H SER A 71 6.299 -8.541 -7.411 1.00 0.00 H new ATOM 0 HA SER A 71 6.418 -9.242 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.501 -10.845 -4.885 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.890 -11.521 -5.021 1.00 0.00 H new ATOM 0 HG SER A 71 8.325 -12.341 -6.646 1.00 0.00 H new ATOM 1076 N PHE A 72 8.804 -8.201 -4.615 1.00 0.00 N ATOM 1077 CA PHE A 72 9.904 -7.245 -4.545 1.00 0.00 C ATOM 1078 C PHE A 72 11.122 -7.865 -3.868 1.00 0.00 C ATOM 1079 O PHE A 72 11.136 -9.058 -3.561 1.00 0.00 O ATOM 1080 CB PHE A 72 9.468 -5.989 -3.787 1.00 0.00 C ATOM 1081 CG PHE A 72 8.745 -4.991 -4.644 1.00 0.00 C ATOM 1082 CD1 PHE A 72 9.448 -4.041 -5.367 1.00 0.00 C ATOM 1083 CD2 PHE A 72 7.362 -5.003 -4.728 1.00 0.00 C ATOM 1084 CE1 PHE A 72 8.785 -3.121 -6.158 1.00 0.00 C ATOM 1085 CE2 PHE A 72 6.694 -4.086 -5.517 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.406 -3.143 -6.232 1.00 0.00 C ATOM 0 H PHE A 72 8.574 -8.645 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 72 10.178 -6.970 -5.563 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.822 -6.280 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.347 -5.513 -3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.526 -4.019 -5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.800 -5.737 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.345 -2.386 -6.717 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.616 -4.107 -5.574 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.886 -2.424 -6.848 1.00 0.00 H new ATOM 1096 N LYS A 73 12.144 -7.048 -3.639 1.00 0.00 N ATOM 1097 CA LYS A 73 13.368 -7.514 -2.997 1.00 0.00 C ATOM 1098 C LYS A 73 13.617 -6.765 -1.692 1.00 0.00 C ATOM 1099 O LYS A 73 14.109 -7.338 -0.721 1.00 0.00 O ATOM 1100 CB LYS A 73 14.562 -7.332 -3.938 1.00 0.00 C ATOM 1101 CG LYS A 73 15.684 -8.327 -3.695 1.00 0.00 C ATOM 1102 CD LYS A 73 15.313 -9.717 -4.186 1.00 0.00 C ATOM 1103 CE LYS A 73 16.482 -10.682 -4.064 1.00 0.00 C ATOM 1104 NZ LYS A 73 16.050 -12.016 -3.563 1.00 0.00 N ATOM 0 H LYS A 73 12.149 -6.059 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 73 13.250 -8.574 -2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.220 -7.427 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.953 -6.321 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.587 -7.990 -4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.913 -8.365 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.467 -10.094 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.992 -9.663 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.961 -10.797 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.228 -10.265 -3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.875 -12.645 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.616 -11.910 -2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.357 -12.426 -4.221 1.00 0.00 H new ATOM 1118 N ALA A 74 13.273 -5.481 -1.677 1.00 0.00 N ATOM 1119 CA ALA A 74 13.456 -4.655 -0.490 1.00 0.00 C ATOM 1120 C ALA A 74 12.118 -4.328 0.163 1.00 0.00 C ATOM 1121 O ALA A 74 11.112 -4.137 -0.520 1.00 0.00 O ATOM 1122 CB ALA A 74 14.199 -3.376 -0.846 1.00 0.00 C ATOM 0 H ALA A 74 12.866 -4.991 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 74 14.052 -5.220 0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.328 -2.769 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.176 -3.626 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.625 -2.815 -1.584 1.00 0.00 H new ATOM 1128 N LYS A 75 12.112 -4.265 1.491 1.00 0.00 N ATOM 1129 CA LYS A 75 10.898 -3.961 2.238 1.00 0.00 C ATOM 1130 C LYS A 75 10.317 -2.617 1.807 1.00 0.00 C ATOM 1131 O LYS A 75 9.168 -2.538 1.372 1.00 0.00 O ATOM 1132 CB LYS A 75 11.189 -3.944 3.740 1.00 0.00 C ATOM 1133 CG LYS A 75 10.484 -2.823 4.484 1.00 0.00 C ATOM 1134 CD LYS A 75 8.985 -2.845 4.235 1.00 0.00 C ATOM 1135 CE LYS A 75 8.204 -2.585 5.514 1.00 0.00 C ATOM 1136 NZ LYS A 75 7.771 -1.164 5.620 1.00 0.00 N ATOM 0 H LYS A 75 12.936 -4.421 2.072 1.00 0.00 H new ATOM 0 HA LYS A 75 10.166 -4.740 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.889 -4.899 4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.264 -3.850 3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.678 -2.916 5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.892 -1.863 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.728 -2.091 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.698 -3.812 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.329 -3.234 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.821 -2.842 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.242 -1.027 6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.607 -0.545 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.161 -0.926 4.812 1.00 0.00 H new ATOM 1150 N TYR A 76 11.118 -1.565 1.930 1.00 0.00 N ATOM 1151 CA TYR A 76 10.683 -0.225 1.555 1.00 0.00 C ATOM 1152 C TYR A 76 10.233 -0.187 0.097 1.00 0.00 C ATOM 1153 O TYR A 76 9.238 0.453 -0.242 1.00 0.00 O ATOM 1154 CB TYR A 76 11.812 0.782 1.779 1.00 0.00 C ATOM 1155 CG TYR A 76 12.724 0.945 0.584 1.00 0.00 C ATOM 1156 CD1 TYR A 76 12.287 1.589 -0.567 1.00 0.00 C ATOM 1157 CD2 TYR A 76 14.024 0.454 0.606 1.00 0.00 C ATOM 1158 CE1 TYR A 76 13.117 1.739 -1.661 1.00 0.00 C ATOM 1159 CE2 TYR A 76 14.862 0.601 -0.483 1.00 0.00 C ATOM 1160 CZ TYR A 76 14.403 1.243 -1.614 1.00 0.00 C ATOM 1161 OH TYR A 76 15.234 1.392 -2.701 1.00 0.00 O ATOM 0 H TYR A 76 12.072 -1.614 2.287 1.00 0.00 H new ATOM 0 HA TYR A 76 9.835 0.044 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.379 1.750 2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 76 12.405 0.466 2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.281 1.979 -0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.386 -0.051 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.761 2.242 -2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.870 0.215 -0.449 1.00 0.00 H new ATOM 0 HH TYR A 76 16.105 0.988 -2.505 1.00 0.00 H new ATOM 1171 N LYS A 77 10.975 -0.877 -0.762 1.00 0.00 N ATOM 1172 CA LYS A 77 10.655 -0.926 -2.184 1.00 0.00 C ATOM 1173 C LYS A 77 9.168 -1.191 -2.397 1.00 0.00 C ATOM 1174 O LYS A 77 8.501 -0.477 -3.148 1.00 0.00 O ATOM 1175 CB LYS A 77 11.482 -2.011 -2.877 1.00 0.00 C ATOM 1176 CG LYS A 77 12.693 -1.472 -3.619 1.00 0.00 C ATOM 1177 CD LYS A 77 12.997 -2.292 -4.861 1.00 0.00 C ATOM 1178 CE LYS A 77 14.313 -1.872 -5.498 1.00 0.00 C ATOM 1179 NZ LYS A 77 15.051 -3.035 -6.065 1.00 0.00 N ATOM 0 H LYS A 77 11.803 -1.411 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 77 10.900 0.042 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.815 -2.734 -2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.845 -2.548 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.515 -0.434 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.559 -1.478 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.040 -3.349 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.189 -2.175 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.119 -1.145 -6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.935 -1.375 -4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.942 -2.707 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.259 -3.717 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.468 -3.494 -6.794 1.00 0.00 H new ATOM 1193 N LEU A 78 8.654 -2.220 -1.733 1.00 0.00 N ATOM 1194 CA LEU A 78 7.244 -2.578 -1.849 1.00 0.00 C ATOM 1195 C LEU A 78 6.351 -1.380 -1.545 1.00 0.00 C ATOM 1196 O LEU A 78 5.691 -0.842 -2.435 1.00 0.00 O ATOM 1197 CB LEU A 78 6.911 -3.731 -0.901 1.00 0.00 C ATOM 1198 CG LEU A 78 5.472 -4.246 -0.950 1.00 0.00 C ATOM 1199 CD1 LEU A 78 4.907 -4.116 -2.356 1.00 0.00 C ATOM 1200 CD2 LEU A 78 5.407 -5.692 -0.479 1.00 0.00 C ATOM 0 H LEU A 78 9.192 -2.821 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 78 7.058 -2.894 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.581 -4.562 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.127 -3.411 0.118 1.00 0.00 H new ATOM 0 HG LEU A 78 4.865 -3.638 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.882 -4.487 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.918 -3.069 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.515 -4.699 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.376 -6.042 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.027 -6.313 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.771 -5.757 0.546 1.00 0.00 H new ATOM 1212 N VAL A 79 6.336 -0.964 -0.282 1.00 0.00 N ATOM 1213 CA VAL A 79 5.527 0.173 0.139 1.00 0.00 C ATOM 1214 C VAL A 79 5.673 1.341 -0.830 1.00 0.00 C ATOM 1215 O VAL A 79 4.698 2.017 -1.155 1.00 0.00 O ATOM 1216 CB VAL A 79 5.913 0.643 1.554 1.00 0.00 C ATOM 1217 CG1 VAL A 79 5.465 2.079 1.781 1.00 0.00 C ATOM 1218 CG2 VAL A 79 5.316 -0.283 2.604 1.00 0.00 C ATOM 0 H VAL A 79 6.875 -1.398 0.467 1.00 0.00 H new ATOM 0 HA VAL A 79 4.490 -0.162 0.146 1.00 0.00 H new ATOM 0 HB VAL A 79 6.999 0.608 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.746 2.393 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.944 2.730 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.383 2.144 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.599 0.064 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.230 -0.282 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.692 -1.295 2.452 1.00 0.00 H new ATOM 1228 N ASN A 80 6.899 1.572 -1.289 1.00 0.00 N ATOM 1229 CA ASN A 80 7.173 2.658 -2.222 1.00 0.00 C ATOM 1230 C ASN A 80 6.289 2.549 -3.461 1.00 0.00 C ATOM 1231 O ASN A 80 5.704 3.535 -3.909 1.00 0.00 O ATOM 1232 CB ASN A 80 8.647 2.647 -2.631 1.00 0.00 C ATOM 1233 CG ASN A 80 8.851 3.071 -4.073 1.00 0.00 C ATOM 1234 OD1 ASN A 80 9.176 4.225 -4.352 1.00 0.00 O ATOM 1235 ND2 ASN A 80 8.659 2.137 -4.997 1.00 0.00 N ATOM 0 H ASN A 80 7.718 1.022 -1.030 1.00 0.00 H new ATOM 0 HA ASN A 80 6.949 3.599 -1.720 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.208 3.314 -1.976 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.053 1.646 -2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.780 2.364 -5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.390 1.193 -4.720 1.00 0.00 H new ATOM 1242 N HIS A 81 6.196 1.342 -4.010 1.00 0.00 N ATOM 1243 CA HIS A 81 5.382 1.102 -5.196 1.00 0.00 C ATOM 1244 C HIS A 81 3.897 1.221 -4.869 1.00 0.00 C ATOM 1245 O HIS A 81 3.126 1.795 -5.639 1.00 0.00 O ATOM 1246 CB HIS A 81 5.680 -0.282 -5.774 1.00 0.00 C ATOM 1247 CG HIS A 81 4.695 -0.722 -6.812 1.00 0.00 C ATOM 1248 ND1 HIS A 81 4.404 0.021 -7.937 1.00 0.00 N ATOM 1249 CD2 HIS A 81 3.933 -1.838 -6.893 1.00 0.00 C ATOM 1250 CE1 HIS A 81 3.504 -0.618 -8.663 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.202 -1.749 -8.052 1.00 0.00 N ATOM 0 H HIS A 81 6.674 0.515 -3.652 1.00 0.00 H new ATOM 0 HA HIS A 81 5.634 1.859 -5.938 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.678 -0.277 -6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.691 -1.011 -4.963 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.819 0.923 -8.172 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.905 -2.648 -6.179 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.086 -0.274 -9.598 1.00 0.00 H new ATOM 1259 N ILE A 82 3.503 0.674 -3.724 1.00 0.00 N ATOM 1260 CA ILE A 82 2.110 0.719 -3.296 1.00 0.00 C ATOM 1261 C ILE A 82 1.552 2.135 -3.388 1.00 0.00 C ATOM 1262 O ILE A 82 0.412 2.339 -3.804 1.00 0.00 O ATOM 1263 CB ILE A 82 1.948 0.208 -1.852 1.00 0.00 C ATOM 1264 CG1 ILE A 82 2.312 -1.275 -1.769 1.00 0.00 C ATOM 1265 CG2 ILE A 82 0.525 0.438 -1.365 1.00 0.00 C ATOM 1266 CD1 ILE A 82 2.379 -1.803 -0.352 1.00 0.00 C ATOM 0 H ILE A 82 4.128 0.195 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 82 1.552 0.067 -3.968 1.00 0.00 H new ATOM 0 HB ILE A 82 2.627 0.766 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.577 -1.853 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.276 -1.432 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.426 0.072 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.299 1.504 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.171 -0.097 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.642 -2.861 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.134 -1.251 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.409 -1.679 0.129 1.00 0.00 H new ATOM 1278 N ARG A 83 2.365 3.112 -2.997 1.00 0.00 N ATOM 1279 CA ARG A 83 1.954 4.510 -3.036 1.00 0.00 C ATOM 1280 C ARG A 83 1.305 4.849 -4.376 1.00 0.00 C ATOM 1281 O ARG A 83 0.233 5.450 -4.424 1.00 0.00 O ATOM 1282 CB ARG A 83 3.155 5.425 -2.793 1.00 0.00 C ATOM 1283 CG ARG A 83 4.044 4.971 -1.646 1.00 0.00 C ATOM 1284 CD ARG A 83 4.311 6.104 -0.668 1.00 0.00 C ATOM 1285 NE ARG A 83 4.940 7.251 -1.317 1.00 0.00 N ATOM 1286 CZ ARG A 83 6.232 7.308 -1.620 1.00 0.00 C ATOM 1287 NH1 ARG A 83 7.028 6.287 -1.334 1.00 0.00 N ATOM 1288 NH2 ARG A 83 6.730 8.386 -2.211 1.00 0.00 N ATOM 0 H ARG A 83 3.312 2.960 -2.650 1.00 0.00 H new ATOM 0 HA ARG A 83 1.220 4.668 -2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.751 5.478 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.797 6.434 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.569 4.141 -1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.989 4.600 -2.042 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.372 6.416 -0.210 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.954 5.745 0.136 1.00 0.00 H new ATOM 0 HE ARG A 83 4.355 8.053 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.648 5.456 -0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.020 6.333 -1.567 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.121 9.173 -2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.722 8.428 -2.443 1.00 0.00 H new ATOM 1302 N VAL A 84 1.965 4.459 -5.462 1.00 0.00 N ATOM 1303 CA VAL A 84 1.453 4.720 -6.802 1.00 0.00 C ATOM 1304 C VAL A 84 -0.016 4.331 -6.915 1.00 0.00 C ATOM 1305 O VAL A 84 -0.770 4.925 -7.687 1.00 0.00 O ATOM 1306 CB VAL A 84 2.259 3.956 -7.869 1.00 0.00 C ATOM 1307 CG1 VAL A 84 1.718 2.544 -8.037 1.00 0.00 C ATOM 1308 CG2 VAL A 84 2.235 4.705 -9.193 1.00 0.00 C ATOM 0 H VAL A 84 2.855 3.961 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 84 1.556 5.791 -6.977 1.00 0.00 H new ATOM 0 HB VAL A 84 3.294 3.886 -7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.300 2.019 -8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.792 2.011 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.674 2.589 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.809 4.151 -9.935 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.205 4.808 -9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.673 5.694 -9.060 1.00 0.00 H new ATOM 1318 N HIS A 85 -0.419 3.329 -6.139 1.00 0.00 N ATOM 1319 CA HIS A 85 -1.800 2.861 -6.151 1.00 0.00 C ATOM 1320 C HIS A 85 -2.659 3.675 -5.188 1.00 0.00 C ATOM 1321 O HIS A 85 -3.807 4.003 -5.488 1.00 0.00 O ATOM 1322 CB HIS A 85 -1.861 1.379 -5.779 1.00 0.00 C ATOM 1323 CG HIS A 85 -0.998 0.509 -6.639 1.00 0.00 C ATOM 1324 ND1 HIS A 85 -0.607 0.862 -7.914 1.00 0.00 N ATOM 1325 CD2 HIS A 85 -0.448 -0.705 -6.401 1.00 0.00 C ATOM 1326 CE1 HIS A 85 0.144 -0.098 -8.423 1.00 0.00 C ATOM 1327 NE2 HIS A 85 0.257 -1.060 -7.525 1.00 0.00 N ATOM 0 H HIS A 85 0.191 2.826 -5.495 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.193 2.992 -7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.558 1.261 -4.738 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -2.893 1.037 -5.851 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -0.545 -1.286 -5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.590 -0.097 -9.407 1.00 0.00 H new ATOM 0 HE2 HIS A 85 0.782 -1.926 -7.647 1.00 0.00 H new ATOM 1335 N THR A 86 -2.094 3.999 -4.028 1.00 0.00 N ATOM 1336 CA THR A 86 -2.808 4.773 -3.021 1.00 0.00 C ATOM 1337 C THR A 86 -3.211 6.140 -3.562 1.00 0.00 C ATOM 1338 O THR A 86 -4.320 6.613 -3.317 1.00 0.00 O ATOM 1339 CB THR A 86 -1.955 4.967 -1.753 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.798 5.755 -2.056 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.524 3.625 -1.180 1.00 0.00 C ATOM 0 H THR A 86 -1.144 3.737 -3.764 1.00 0.00 H new ATOM 0 HA THR A 86 -3.704 4.208 -2.765 1.00 0.00 H new ATOM 0 HB THR A 86 -2.562 5.484 -1.010 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.526 5.594 -2.984 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.923 3.788 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.406 3.039 -0.923 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.934 3.086 -1.921 1.00 0.00 H new ATOM 1349 N GLY A 87 -2.303 6.771 -4.300 1.00 0.00 N ATOM 1350 CA GLY A 87 -2.584 8.078 -4.865 1.00 0.00 C ATOM 1351 C GLY A 87 -1.921 9.200 -4.090 1.00 0.00 C ATOM 1352 O GLY A 87 -2.037 10.368 -4.456 1.00 0.00 O ATOM 0 H GLY A 87 -1.378 6.400 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.242 8.104 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.662 8.239 -4.881 1.00 0.00 H new ATOM 1356 N GLU A 88 -1.225 8.843 -3.014 1.00 0.00 N ATOM 1357 CA GLU A 88 -0.544 9.830 -2.185 1.00 0.00 C ATOM 1358 C GLU A 88 0.649 10.431 -2.923 1.00 0.00 C ATOM 1359 O GLU A 88 0.658 10.507 -4.152 1.00 0.00 O ATOM 1360 CB GLU A 88 -0.077 9.192 -0.874 1.00 0.00 C ATOM 1361 CG GLU A 88 -0.057 10.157 0.299 1.00 0.00 C ATOM 1362 CD GLU A 88 1.285 10.191 1.003 1.00 0.00 C ATOM 1363 OE1 GLU A 88 1.927 9.125 1.109 1.00 0.00 O ATOM 1364 OE2 GLU A 88 1.695 11.284 1.448 1.00 0.00 O ATOM 0 H GLU A 88 -1.119 7.879 -2.697 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.251 10.629 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.732 8.355 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.924 8.784 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.303 11.158 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.830 9.872 1.012 1.00 0.00 H new