USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 802 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 99 ASN : amide:sc= -0.276! K(o=-7.1!,f=-8) USER MOD Set 1.2: A 102 GLN : amide:sc= -6.85! C(o=-7.1!,f=-13!) USER MOD Set 2.1: A 70 ASN : amide:sc= -0.604 K(o=-3,f=-6.1!) USER MOD Set 2.2: B 501 MET CE :methyl -164:sc= -2.38 (180deg=-1.39) USER MOD Set 2.3: B 502 THR OG1 : rot 20:sc=-0.000812 USER MOD Set 3.1: A 54 SER OG : rot -5:sc= 0.855 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -106:sc= -0.206 (180deg=-2.57!) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 58 HIS : no HD1:sc= -4.02! C(o=-4!,f=-12!) USER MOD Set 5.1: A 20 LYS NZ :NH3+ 162:sc= 1.13 (180deg=0.97) USER MOD Set 5.2: A 48 TYR OH : rot 38:sc= 1.24 USER MOD Single : A 19 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0313 (180deg=-0.226) USER MOD Single : A 25 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.29) USER MOD Single : A 31 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.5!) USER MOD Single : A 35 SER OG : rot 30:sc= 0.0374 USER MOD Single : A 38 MET CE :methyl 160:sc= -10.8! (180deg=-13.9!) USER MOD Single : A 41 THR OG1 : rot -74:sc= 1.55 USER MOD Single : A 49 THR OG1 : rot -75:sc= -1.29! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 75:sc= -2.02! USER MOD Single : A 61 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 65 TYR OH : rot -102:sc= -0.0711 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 73 SER OG : rot 60:sc= -3.24! USER MOD Single : A 76 SER OG : rot 24:sc= 0.282 USER MOD Single : A 90 LYS NZ :NH3+ -145:sc= -1.15 (180deg=-3.49!) USER MOD Single : A 91 CYS SG : rot 50:sc= -4.6! USER MOD Single : A 100 MET CE :methyl 177:sc= -4.79! (180deg=-4.96!) USER MOD Single : A 105 MET CE :methyl -110:sc= -4.51! (180deg=-8.17!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.144 F(o=-3.1!,f=-0.14) USER MOD Single : A 107 ASN : amide:sc= 1.07 K(o=1.1,f=-0.043) USER MOD Single : A 108 ASN : amide:sc= -4.36! C(o=-4.4!,f=-4.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : B 503 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.00586) USER MOD Single : B 509 ASN : amide:sc= -2.98 K(o=-3,f=-5.6!) USER MOD Single : B 511 GLN : amide:sc= -2.96 K(o=-3,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 173 N ASN A 19 -1.686 12.213 -0.266 1.00 0.00 N ATOM 174 CA ASN A 19 -1.246 10.916 0.192 1.00 0.00 C ATOM 175 C ASN A 19 -2.204 10.308 1.229 1.00 0.00 C ATOM 176 O ASN A 19 -2.188 9.108 1.468 1.00 0.00 O ATOM 177 CB ASN A 19 0.164 11.050 0.747 1.00 0.00 C ATOM 178 CG ASN A 19 1.218 11.301 -0.318 1.00 0.00 C ATOM 179 OD1 ASN A 19 0.973 11.995 -1.305 1.00 0.00 O ATOM 180 ND2 ASN A 19 2.396 10.729 -0.127 1.00 0.00 N ATOM 0 HA ASN A 19 -1.245 10.226 -0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.185 11.868 1.467 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.419 10.140 1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.142 10.856 -0.811 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.558 10.161 0.705 1.00 0.00 H new ATOM 187 N LYS A 20 -3.051 11.135 1.825 1.00 0.00 N ATOM 188 CA LYS A 20 -4.059 10.653 2.768 1.00 0.00 C ATOM 189 C LYS A 20 -5.346 10.360 2.004 1.00 0.00 C ATOM 190 O LYS A 20 -6.084 11.276 1.635 1.00 0.00 O ATOM 191 CB LYS A 20 -4.315 11.740 3.821 1.00 0.00 C ATOM 192 CG LYS A 20 -5.297 11.348 4.909 1.00 0.00 C ATOM 193 CD LYS A 20 -4.770 10.222 5.753 1.00 0.00 C ATOM 194 CE LYS A 20 -5.057 10.423 7.229 1.00 0.00 C ATOM 195 NZ LYS A 20 -4.263 11.538 7.809 1.00 0.00 N ATOM 0 H LYS A 20 -3.063 12.144 1.675 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.714 9.745 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.366 12.008 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.687 12.633 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.503 12.211 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.243 11.051 4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.217 9.284 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.694 10.132 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.119 10.626 7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.836 9.502 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.693 11.841 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.289 11.217 7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.250 12.338 7.144 1.00 0.00 H new ATOM 209 N PHE A 21 -5.623 9.088 1.777 1.00 0.00 N ATOM 210 CA PHE A 21 -6.841 8.701 1.082 1.00 0.00 C ATOM 211 C PHE A 21 -7.753 7.886 1.972 1.00 0.00 C ATOM 212 O PHE A 21 -7.352 6.862 2.503 1.00 0.00 O ATOM 213 CB PHE A 21 -6.500 7.907 -0.182 1.00 0.00 C ATOM 214 CG PHE A 21 -6.031 8.758 -1.325 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.458 10.070 -1.475 1.00 0.00 C ATOM 216 CD2 PHE A 21 -5.142 8.245 -2.243 1.00 0.00 C ATOM 217 CE1 PHE A 21 -6.001 10.840 -2.525 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.682 9.000 -3.277 1.00 0.00 C ATOM 219 CZ PHE A 21 -5.106 10.302 -3.426 1.00 0.00 C ATOM 0 H PHE A 21 -5.027 8.310 2.061 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.368 9.614 0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.726 7.177 0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.381 7.347 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.153 10.492 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.804 7.225 -2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.342 11.858 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.982 8.577 -3.983 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.738 10.900 -4.247 1.00 0.00 H new ATOM 229 N LYS A 22 -8.975 8.352 2.148 1.00 0.00 N ATOM 230 CA LYS A 22 -9.979 7.567 2.837 1.00 0.00 C ATOM 231 C LYS A 22 -10.411 6.404 1.956 1.00 0.00 C ATOM 232 O LYS A 22 -11.123 6.589 0.973 1.00 0.00 O ATOM 233 CB LYS A 22 -11.184 8.425 3.210 1.00 0.00 C ATOM 234 CG LYS A 22 -11.211 8.869 4.657 1.00 0.00 C ATOM 235 CD LYS A 22 -11.330 7.693 5.618 1.00 0.00 C ATOM 236 CE LYS A 22 -12.718 7.077 5.616 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.753 8.011 6.132 1.00 0.00 N ATOM 0 H LYS A 22 -9.294 9.265 1.825 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.546 7.180 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.198 9.308 2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.094 7.864 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.302 9.428 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.049 9.548 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.598 6.932 5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.086 8.026 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.978 6.776 4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.712 6.173 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.621 7.481 6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.403 8.474 6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.960 8.732 5.412 1.00 0.00 H new ATOM 251 N VAL A 23 -9.959 5.215 2.308 1.00 0.00 N ATOM 252 CA VAL A 23 -10.285 4.011 1.572 1.00 0.00 C ATOM 253 C VAL A 23 -11.422 3.288 2.277 1.00 0.00 C ATOM 254 O VAL A 23 -12.067 3.833 3.171 1.00 0.00 O ATOM 255 CB VAL A 23 -9.050 3.069 1.491 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.883 3.777 0.834 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.655 2.586 2.874 1.00 0.00 C ATOM 0 H VAL A 23 -9.354 5.058 3.114 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.584 4.286 0.560 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.321 2.205 0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.028 3.102 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.163 4.080 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.617 4.659 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.789 1.928 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.405 3.442 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.486 2.040 3.320 1.00 0.00 H new ATOM 267 N ILE A 24 -11.698 2.087 1.850 1.00 0.00 N ATOM 268 CA ILE A 24 -12.600 1.223 2.571 1.00 0.00 C ATOM 269 C ILE A 24 -11.942 -0.127 2.775 1.00 0.00 C ATOM 270 O ILE A 24 -11.672 -0.805 1.807 1.00 0.00 O ATOM 271 CB ILE A 24 -13.883 0.955 1.793 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.797 2.171 1.685 1.00 0.00 C ATOM 273 CG2 ILE A 24 -14.607 -0.169 2.456 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.768 2.055 0.529 1.00 0.00 C ATOM 0 H ILE A 24 -11.309 1.679 1.000 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.834 1.724 3.510 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.602 0.701 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.354 2.289 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.192 3.069 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.530 -0.377 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.977 -1.058 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.844 0.107 3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.398 2.944 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -15.213 1.965 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.393 1.173 0.666 1.00 0.00 H new ATOM 286 N ASN A 25 -11.703 -0.561 3.987 1.00 0.00 N ATOM 287 CA ASN A 25 -11.137 -1.891 4.121 1.00 0.00 C ATOM 288 C ASN A 25 -12.222 -2.930 3.872 1.00 0.00 C ATOM 289 O ASN A 25 -13.210 -3.023 4.611 1.00 0.00 O ATOM 290 CB ASN A 25 -10.401 -2.127 5.454 1.00 0.00 C ATOM 291 CG ASN A 25 -11.248 -1.936 6.701 1.00 0.00 C ATOM 292 OD1 ASN A 25 -11.927 -2.856 7.160 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.170 -0.752 7.292 1.00 0.00 N ATOM 0 H ASN A 25 -11.877 -0.052 4.854 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.360 -1.991 3.363 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.002 -3.142 5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.549 -1.450 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.683 -0.579 8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.597 -0.014 6.882 1.00 0.00 H new ATOM 300 N VAL A 26 -12.049 -3.670 2.780 1.00 0.00 N ATOM 301 CA VAL A 26 -13.057 -4.598 2.297 1.00 0.00 C ATOM 302 C VAL A 26 -12.456 -5.995 2.150 1.00 0.00 C ATOM 303 O VAL A 26 -11.385 -6.148 1.569 1.00 0.00 O ATOM 304 CB VAL A 26 -13.623 -4.138 0.938 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.463 -2.902 1.132 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.524 -3.856 -0.061 1.00 0.00 C ATOM 0 H VAL A 26 -11.205 -3.640 2.208 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.869 -4.624 3.024 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.236 -4.947 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.862 -2.579 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.287 -3.125 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.849 -2.107 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.964 -3.535 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.876 -3.069 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.939 -4.761 -0.223 1.00 0.00 H new ATOM 316 N ASP A 27 -13.117 -7.022 2.660 1.00 0.00 N ATOM 317 CA ASP A 27 -12.509 -8.345 2.628 1.00 0.00 C ATOM 318 C ASP A 27 -13.302 -9.346 1.810 1.00 0.00 C ATOM 319 O ASP A 27 -14.480 -9.576 2.072 1.00 0.00 O ATOM 320 CB ASP A 27 -12.318 -8.887 4.048 1.00 0.00 C ATOM 321 CG ASP A 27 -11.809 -10.315 4.068 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.581 -10.519 4.013 1.00 0.00 O ATOM 323 OD2 ASP A 27 -12.642 -11.243 4.150 1.00 0.00 O ATOM 0 H ASP A 27 -14.042 -6.973 3.087 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.541 -8.220 2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.616 -8.248 4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.267 -8.837 4.582 1.00 0.00 H new ATOM 328 N ASP A 28 -12.604 -9.935 0.827 1.00 0.00 N ATOM 329 CA ASP A 28 -13.059 -11.091 0.021 1.00 0.00 C ATOM 330 C ASP A 28 -14.466 -10.938 -0.582 1.00 0.00 C ATOM 331 O ASP A 28 -14.986 -11.856 -1.217 1.00 0.00 O ATOM 332 CB ASP A 28 -12.981 -12.361 0.866 1.00 0.00 C ATOM 333 CG ASP A 28 -13.027 -13.617 0.024 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.109 -13.818 -0.800 1.00 0.00 O ATOM 335 OD2 ASP A 28 -13.978 -14.406 0.186 1.00 0.00 O ATOM 0 H ASP A 28 -11.675 -9.613 0.558 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.385 -11.150 -0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.060 -12.351 1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.807 -12.373 1.577 1.00 0.00 H new ATOM 340 N ASP A 29 -15.053 -9.773 -0.423 1.00 0.00 N ATOM 341 CA ASP A 29 -16.407 -9.512 -0.890 1.00 0.00 C ATOM 342 C ASP A 29 -16.496 -8.080 -1.394 1.00 0.00 C ATOM 343 O ASP A 29 -17.480 -7.662 -1.999 1.00 0.00 O ATOM 344 CB ASP A 29 -17.393 -9.734 0.263 1.00 0.00 C ATOM 345 CG ASP A 29 -18.835 -9.455 -0.110 1.00 0.00 C ATOM 346 OD1 ASP A 29 -19.449 -10.306 -0.784 1.00 0.00 O ATOM 347 OD2 ASP A 29 -19.366 -8.396 0.287 1.00 0.00 O ATOM 0 H ASP A 29 -14.610 -8.976 0.033 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.658 -10.191 -1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.309 -10.764 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.112 -9.093 1.099 1.00 0.00 H new ATOM 352 N GLY A 30 -15.408 -7.350 -1.187 1.00 0.00 N ATOM 353 CA GLY A 30 -15.431 -5.913 -1.342 1.00 0.00 C ATOM 354 C GLY A 30 -16.354 -5.320 -0.302 1.00 0.00 C ATOM 355 O GLY A 30 -16.917 -4.248 -0.485 1.00 0.00 O ATOM 0 H GLY A 30 -14.504 -7.734 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.426 -5.506 -1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.772 -5.648 -2.343 1.00 0.00 H new ATOM 359 N ASN A 31 -16.483 -6.047 0.807 1.00 0.00 N ATOM 360 CA ASN A 31 -17.371 -5.676 1.891 1.00 0.00 C ATOM 361 C ASN A 31 -16.713 -4.630 2.735 1.00 0.00 C ATOM 362 O ASN A 31 -15.697 -4.911 3.352 1.00 0.00 O ATOM 363 CB ASN A 31 -17.667 -6.890 2.777 1.00 0.00 C ATOM 364 CG ASN A 31 -18.857 -6.692 3.700 1.00 0.00 C ATOM 365 OD1 ASN A 31 -19.179 -5.572 4.102 1.00 0.00 O ATOM 366 ND2 ASN A 31 -19.503 -7.786 4.065 1.00 0.00 N ATOM 0 H ASN A 31 -15.969 -6.912 0.973 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.300 -5.298 1.464 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.850 -7.757 2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.785 -7.115 3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -20.298 -7.721 4.701 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.206 -8.695 3.711 1.00 0.00 H new ATOM 373 N GLU A 32 -17.240 -3.421 2.725 1.00 0.00 N ATOM 374 CA GLU A 32 -16.753 -2.402 3.619 1.00 0.00 C ATOM 375 C GLU A 32 -16.965 -2.827 5.074 1.00 0.00 C ATOM 376 O GLU A 32 -17.953 -2.426 5.693 1.00 0.00 O ATOM 377 CB GLU A 32 -17.494 -1.092 3.377 1.00 0.00 C ATOM 378 CG GLU A 32 -17.784 -0.835 1.916 1.00 0.00 C ATOM 379 CD GLU A 32 -19.164 -1.289 1.514 1.00 0.00 C ATOM 380 OE1 GLU A 32 -20.120 -0.512 1.689 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.288 -2.416 1.000 1.00 0.00 O ATOM 0 H GLU A 32 -17.999 -3.127 2.111 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.689 -2.263 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.433 -1.105 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.901 -0.268 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.681 0.230 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.043 -1.351 1.305 1.00 0.00 H new ATOM 388 N LEU A 33 -16.064 -3.651 5.613 1.00 0.00 N ATOM 389 CA LEU A 33 -16.128 -4.021 7.024 1.00 0.00 C ATOM 390 C LEU A 33 -16.059 -2.743 7.843 1.00 0.00 C ATOM 391 O LEU A 33 -16.653 -2.617 8.915 1.00 0.00 O ATOM 392 CB LEU A 33 -14.978 -4.949 7.431 1.00 0.00 C ATOM 393 CG LEU A 33 -14.905 -6.330 6.777 1.00 0.00 C ATOM 394 CD1 LEU A 33 -16.279 -6.913 6.543 1.00 0.00 C ATOM 395 CD2 LEU A 33 -14.164 -6.252 5.474 1.00 0.00 C ATOM 0 H LEU A 33 -15.290 -4.070 5.098 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.057 -4.562 7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.042 -4.431 7.224 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.031 -5.093 8.510 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.370 -6.986 7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -16.184 -7.894 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.799 -7.013 7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.847 -6.254 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.120 -7.242 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.681 -5.568 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -13.152 -5.890 5.652 1.00 0.00 H new ATOM 407 N GLY A 34 -15.304 -1.809 7.300 1.00 0.00 N ATOM 408 CA GLY A 34 -15.255 -0.458 7.798 1.00 0.00 C ATOM 409 C GLY A 34 -14.504 0.389 6.811 1.00 0.00 C ATOM 410 O GLY A 34 -13.582 -0.106 6.167 1.00 0.00 O ATOM 0 H GLY A 34 -14.703 -1.973 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.264 -0.070 7.939 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.764 -0.431 8.771 1.00 0.00 H new ATOM 414 N SER A 35 -14.884 1.629 6.619 1.00 0.00 N ATOM 415 CA SER A 35 -14.135 2.436 5.686 1.00 0.00 C ATOM 416 C SER A 35 -12.946 3.080 6.391 1.00 0.00 C ATOM 417 O SER A 35 -13.096 3.780 7.396 1.00 0.00 O ATOM 418 CB SER A 35 -15.020 3.449 4.963 1.00 0.00 C ATOM 419 OG SER A 35 -15.653 4.336 5.869 1.00 0.00 O ATOM 0 H SER A 35 -15.673 2.087 7.074 1.00 0.00 H new ATOM 0 HA SER A 35 -13.742 1.787 4.903 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.417 4.020 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.777 2.921 4.382 1.00 0.00 H new ATOM 0 HG SER A 35 -15.087 4.454 6.660 1.00 0.00 H new ATOM 425 N GLY A 36 -11.762 2.805 5.860 1.00 0.00 N ATOM 426 CA GLY A 36 -10.526 3.179 6.512 1.00 0.00 C ATOM 427 C GLY A 36 -9.837 4.319 5.798 1.00 0.00 C ATOM 428 O GLY A 36 -10.371 4.876 4.859 1.00 0.00 O ATOM 0 H GLY A 36 -11.637 2.320 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.732 3.467 7.543 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.859 2.317 6.549 1.00 0.00 H new ATOM 432 N ILE A 37 -8.668 4.689 6.262 1.00 0.00 N ATOM 433 CA ILE A 37 -7.779 5.545 5.504 1.00 0.00 C ATOM 434 C ILE A 37 -6.701 4.689 4.873 1.00 0.00 C ATOM 435 O ILE A 37 -6.526 3.557 5.245 1.00 0.00 O ATOM 436 CB ILE A 37 -7.075 6.576 6.415 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.054 7.609 6.981 1.00 0.00 C ATOM 438 CG2 ILE A 37 -5.970 7.296 5.652 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.239 8.820 6.091 1.00 0.00 C ATOM 0 H ILE A 37 -8.304 4.408 7.172 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.373 6.070 4.757 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.647 6.020 7.249 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.022 7.132 7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.698 7.937 7.958 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.485 8.018 6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.235 6.570 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.399 7.816 4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.945 9.508 6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.281 9.321 5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.624 8.504 5.122 1.00 0.00 H new ATOM 451 N MET A 38 -5.988 5.245 3.941 1.00 0.00 N ATOM 452 CA MET A 38 -4.762 4.680 3.484 1.00 0.00 C ATOM 453 C MET A 38 -3.787 5.821 3.275 1.00 0.00 C ATOM 454 O MET A 38 -3.728 6.441 2.214 1.00 0.00 O ATOM 455 CB MET A 38 -4.977 3.850 2.245 1.00 0.00 C ATOM 456 CG MET A 38 -3.780 3.039 1.880 1.00 0.00 C ATOM 457 SD MET A 38 -3.368 1.866 3.161 1.00 0.00 S ATOM 458 CE MET A 38 -4.977 1.118 3.316 1.00 0.00 C ATOM 0 H MET A 38 -6.247 6.114 3.473 1.00 0.00 H new ATOM 0 HA MET A 38 -4.348 3.991 4.220 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.827 3.186 2.401 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.234 4.506 1.413 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.970 2.508 0.947 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.931 3.700 1.704 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.880 0.142 3.791 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.618 1.756 3.925 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.419 0.998 2.327 1.00 0.00 H new ATOM 468 N GLU A 39 -3.078 6.118 4.349 1.00 0.00 N ATOM 469 CA GLU A 39 -2.159 7.225 4.430 1.00 0.00 C ATOM 470 C GLU A 39 -0.855 6.827 3.757 1.00 0.00 C ATOM 471 O GLU A 39 -0.009 6.164 4.363 1.00 0.00 O ATOM 472 CB GLU A 39 -1.915 7.478 5.905 1.00 0.00 C ATOM 473 CG GLU A 39 -0.902 8.550 6.244 1.00 0.00 C ATOM 474 CD GLU A 39 -1.523 9.905 6.526 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.893 10.160 7.692 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.652 10.721 5.592 1.00 0.00 O ATOM 0 H GLU A 39 -3.132 5.576 5.211 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.552 8.116 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.865 7.747 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.590 6.544 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.329 8.234 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.198 8.647 5.418 1.00 0.00 H new ATOM 483 N LEU A 40 -0.713 7.187 2.505 1.00 0.00 N ATOM 484 CA LEU A 40 0.453 6.818 1.743 1.00 0.00 C ATOM 485 C LEU A 40 1.647 7.685 2.108 1.00 0.00 C ATOM 486 O LEU A 40 1.639 8.891 1.898 1.00 0.00 O ATOM 487 CB LEU A 40 0.150 6.936 0.253 1.00 0.00 C ATOM 488 CG LEU A 40 -0.222 5.629 -0.440 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.538 5.886 -1.892 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.932 4.648 -0.334 1.00 0.00 C ATOM 0 H LEU A 40 -1.397 7.740 1.989 1.00 0.00 H new ATOM 0 HA LEU A 40 0.707 5.785 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.667 7.645 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.022 7.358 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.102 5.207 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.802 4.947 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.375 6.581 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.335 6.316 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.663 3.715 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.815 5.072 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.147 4.452 0.716 1.00 0.00 H new ATOM 502 N THR A 41 2.670 7.079 2.672 1.00 0.00 N ATOM 503 CA THR A 41 3.885 7.810 2.966 1.00 0.00 C ATOM 504 C THR A 41 5.076 7.160 2.286 1.00 0.00 C ATOM 505 O THR A 41 4.903 6.292 1.438 1.00 0.00 O ATOM 506 CB THR A 41 4.162 7.913 4.465 1.00 0.00 C ATOM 507 OG1 THR A 41 4.407 6.619 5.026 1.00 0.00 O ATOM 508 CG2 THR A 41 3.003 8.582 5.187 1.00 0.00 C ATOM 0 H THR A 41 2.686 6.093 2.934 1.00 0.00 H new ATOM 0 HA THR A 41 3.737 8.819 2.581 1.00 0.00 H new ATOM 0 HB THR A 41 5.053 8.526 4.597 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.562 6.127 5.095 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.225 8.643 6.252 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.857 9.586 4.788 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.095 7.997 5.038 1.00 0.00 H new ATOM 516 N ASP A 42 6.276 7.577 2.677 1.00 0.00 N ATOM 517 CA ASP A 42 7.513 7.055 2.102 1.00 0.00 C ATOM 518 C ASP A 42 7.566 5.566 2.219 1.00 0.00 C ATOM 519 O ASP A 42 7.853 4.862 1.255 1.00 0.00 O ATOM 520 CB ASP A 42 8.741 7.617 2.818 1.00 0.00 C ATOM 521 CG ASP A 42 8.469 8.932 3.516 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.843 8.908 4.600 1.00 0.00 O ATOM 523 OD2 ASP A 42 8.867 9.994 2.990 1.00 0.00 O ATOM 0 H ASP A 42 6.419 8.284 3.399 1.00 0.00 H new ATOM 0 HA ASP A 42 7.522 7.357 1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.092 6.890 3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.545 7.755 2.095 1.00 0.00 H new ATOM 528 N THR A 43 7.314 5.072 3.402 1.00 0.00 N ATOM 529 CA THR A 43 7.514 3.677 3.625 1.00 0.00 C ATOM 530 C THR A 43 6.358 3.014 4.323 1.00 0.00 C ATOM 531 O THR A 43 6.370 1.807 4.481 1.00 0.00 O ATOM 532 CB THR A 43 8.754 3.424 4.474 1.00 0.00 C ATOM 533 OG1 THR A 43 8.540 3.905 5.810 1.00 0.00 O ATOM 534 CG2 THR A 43 9.969 4.112 3.897 1.00 0.00 C ATOM 0 H THR A 43 6.978 5.605 4.204 1.00 0.00 H new ATOM 0 HA THR A 43 7.623 3.249 2.628 1.00 0.00 H new ATOM 0 HB THR A 43 8.932 2.349 4.484 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.340 3.737 6.350 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.835 3.910 4.527 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.157 3.736 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.793 5.187 3.855 1.00 0.00 H new ATOM 542 N GLU A 44 5.383 3.765 4.775 1.00 0.00 N ATOM 543 CA GLU A 44 4.293 3.153 5.502 1.00 0.00 C ATOM 544 C GLU A 44 2.947 3.576 4.973 1.00 0.00 C ATOM 545 O GLU A 44 2.613 4.758 4.914 1.00 0.00 O ATOM 546 CB GLU A 44 4.386 3.437 6.993 1.00 0.00 C ATOM 547 CG GLU A 44 5.146 2.382 7.776 1.00 0.00 C ATOM 548 CD GLU A 44 5.421 2.806 9.200 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.129 3.809 9.393 1.00 0.00 O ATOM 550 OE2 GLU A 44 4.923 2.149 10.140 1.00 0.00 O ATOM 0 H GLU A 44 5.319 4.776 4.658 1.00 0.00 H new ATOM 0 HA GLU A 44 4.388 2.078 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.870 4.402 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.378 3.521 7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.573 1.454 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.090 2.171 7.274 1.00 0.00 H new ATOM 557 N LEU A 45 2.190 2.583 4.586 1.00 0.00 N ATOM 558 CA LEU A 45 0.819 2.755 4.199 1.00 0.00 C ATOM 559 C LEU A 45 -0.048 2.702 5.433 1.00 0.00 C ATOM 560 O LEU A 45 -0.494 1.641 5.861 1.00 0.00 O ATOM 561 CB LEU A 45 0.457 1.650 3.214 1.00 0.00 C ATOM 562 CG LEU A 45 0.605 1.995 1.761 1.00 0.00 C ATOM 563 CD1 LEU A 45 1.000 0.774 0.967 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.695 2.513 1.247 1.00 0.00 C ATOM 0 H LEU A 45 2.516 1.618 4.531 1.00 0.00 H new ATOM 0 HA LEU A 45 0.662 3.719 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.080 0.781 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.576 1.353 3.394 1.00 0.00 H new ATOM 0 HG LEU A 45 1.381 2.752 1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.103 1.042 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.950 0.390 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.233 0.007 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.594 2.766 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.463 1.749 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.979 3.404 1.808 1.00 0.00 H new ATOM 576 N ILE A 46 -0.270 3.862 6.010 1.00 0.00 N ATOM 577 CA ILE A 46 -0.952 3.949 7.277 1.00 0.00 C ATOM 578 C ILE A 46 -2.481 3.956 7.049 1.00 0.00 C ATOM 579 O ILE A 46 -3.090 4.998 6.832 1.00 0.00 O ATOM 580 CB ILE A 46 -0.477 5.202 8.076 1.00 0.00 C ATOM 581 CG1 ILE A 46 1.033 5.179 8.278 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.176 5.258 9.394 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.567 3.799 8.480 1.00 0.00 C ATOM 0 H ILE A 46 0.014 4.760 5.618 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.705 3.075 7.879 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.726 6.094 7.501 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.518 5.629 7.412 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.289 5.793 9.141 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.840 6.135 9.947 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.252 5.321 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.947 4.359 9.966 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.647 3.844 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.106 3.356 9.363 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.338 3.189 7.606 1.00 0.00 H new ATOM 595 N LEU A 47 -3.090 2.772 7.090 1.00 0.00 N ATOM 596 CA LEU A 47 -4.540 2.621 6.913 1.00 0.00 C ATOM 597 C LEU A 47 -5.254 3.009 8.205 1.00 0.00 C ATOM 598 O LEU A 47 -5.059 2.364 9.223 1.00 0.00 O ATOM 599 CB LEU A 47 -4.893 1.161 6.658 1.00 0.00 C ATOM 600 CG LEU A 47 -6.361 0.770 6.917 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.248 0.926 5.690 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.392 -0.649 7.362 1.00 0.00 C ATOM 0 H LEU A 47 -2.598 1.892 7.246 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.841 3.251 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.651 0.924 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.255 0.538 7.285 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.754 1.444 7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.268 0.635 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.237 1.966 5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.875 0.290 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.423 -0.948 7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.967 -1.284 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.809 -0.756 8.277 1.00 0.00 H new ATOM 614 N TYR A 48 -6.097 4.014 8.194 1.00 0.00 N ATOM 615 CA TYR A 48 -6.810 4.353 9.423 1.00 0.00 C ATOM 616 C TYR A 48 -8.110 3.580 9.484 1.00 0.00 C ATOM 617 O TYR A 48 -9.078 3.969 8.845 1.00 0.00 O ATOM 618 CB TYR A 48 -7.124 5.843 9.537 1.00 0.00 C ATOM 619 CG TYR A 48 -5.921 6.704 9.718 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.882 6.557 8.861 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.832 7.663 10.717 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.770 7.314 8.953 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.702 8.448 10.834 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.666 8.266 9.941 1.00 0.00 C ATOM 625 OH TYR A 48 -2.532 9.034 10.035 1.00 0.00 O ATOM 0 H TYR A 48 -6.308 4.598 7.385 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.153 4.087 10.251 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.655 6.162 8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.799 5.998 10.379 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.946 5.812 8.082 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.652 7.796 11.407 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.961 7.173 8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.630 9.193 11.613 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.211 9.255 9.136 1.00 0.00 H new ATOM 635 N THR A 49 -8.150 2.492 10.233 1.00 0.00 N ATOM 636 CA THR A 49 -9.392 1.746 10.359 1.00 0.00 C ATOM 637 C THR A 49 -10.367 2.508 11.244 1.00 0.00 C ATOM 638 O THR A 49 -10.060 3.610 11.703 1.00 0.00 O ATOM 639 CB THR A 49 -9.192 0.345 10.927 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.407 0.405 12.105 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.542 -0.554 9.903 1.00 0.00 C ATOM 0 H THR A 49 -7.359 2.111 10.752 1.00 0.00 H new ATOM 0 HA THR A 49 -9.792 1.636 9.351 1.00 0.00 H new ATOM 0 HB THR A 49 -10.167 -0.073 11.178 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.469 0.560 11.866 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.407 -1.549 10.326 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.177 -0.618 9.020 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.572 -0.144 9.623 1.00 0.00 H new ATOM 649 N ARG A 50 -11.526 1.935 11.509 1.00 0.00 N ATOM 650 CA ARG A 50 -12.497 2.626 12.324 1.00 0.00 C ATOM 651 C ARG A 50 -12.077 2.632 13.784 1.00 0.00 C ATOM 652 O ARG A 50 -11.720 3.675 14.327 1.00 0.00 O ATOM 653 CB ARG A 50 -13.872 2.010 12.168 1.00 0.00 C ATOM 654 CG ARG A 50 -14.895 3.001 11.647 1.00 0.00 C ATOM 655 CD ARG A 50 -15.215 4.090 12.664 1.00 0.00 C ATOM 656 NE ARG A 50 -14.130 5.066 12.812 1.00 0.00 N ATOM 657 CZ ARG A 50 -13.972 5.847 13.881 1.00 0.00 C ATOM 658 NH1 ARG A 50 -14.856 5.812 14.869 1.00 0.00 N ATOM 659 NH2 ARG A 50 -12.934 6.667 13.962 1.00 0.00 N ATOM 0 H ARG A 50 -11.811 1.013 11.179 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.545 3.659 11.980 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.812 1.162 11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.204 1.622 13.131 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.520 3.460 10.732 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.811 2.471 11.385 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.125 4.608 12.361 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.418 3.630 13.631 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.456 5.152 12.051 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.660 5.186 14.812 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.732 6.411 15.685 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.252 6.703 13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.817 7.263 14.782 1.00 0.00 H new ATOM 673 N LYS A 51 -12.103 1.477 14.418 1.00 0.00 N ATOM 674 CA LYS A 51 -11.769 1.400 15.826 1.00 0.00 C ATOM 675 C LYS A 51 -10.523 0.557 16.075 1.00 0.00 C ATOM 676 O LYS A 51 -10.041 0.449 17.202 1.00 0.00 O ATOM 677 CB LYS A 51 -12.967 0.912 16.607 1.00 0.00 C ATOM 678 CG LYS A 51 -14.159 1.833 16.416 1.00 0.00 C ATOM 679 CD LYS A 51 -13.918 3.206 16.979 1.00 0.00 C ATOM 680 CE LYS A 51 -13.615 3.156 18.441 1.00 0.00 C ATOM 681 NZ LYS A 51 -13.241 4.489 18.976 1.00 0.00 N ATOM 0 H LYS A 51 -12.349 0.587 13.986 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.518 2.400 16.180 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.228 -0.096 16.285 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.715 0.854 17.666 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.386 1.914 15.353 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.034 1.395 16.896 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.088 3.676 16.451 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.797 3.828 16.810 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.485 2.780 18.979 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.802 2.452 18.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.039 4.411 19.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.395 4.837 18.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.027 5.155 18.830 1.00 0.00 H new ATOM 695 N ARG A 52 -10.016 -0.051 15.014 1.00 0.00 N ATOM 696 CA ARG A 52 -8.754 -0.776 15.063 1.00 0.00 C ATOM 697 C ARG A 52 -7.580 0.214 14.983 1.00 0.00 C ATOM 698 O ARG A 52 -6.421 -0.149 15.193 1.00 0.00 O ATOM 699 CB ARG A 52 -8.724 -1.800 13.913 1.00 0.00 C ATOM 700 CG ARG A 52 -7.361 -2.407 13.603 1.00 0.00 C ATOM 701 CD ARG A 52 -6.803 -3.191 14.776 1.00 0.00 C ATOM 702 NE ARG A 52 -7.061 -4.623 14.658 1.00 0.00 N ATOM 703 CZ ARG A 52 -6.714 -5.513 15.585 1.00 0.00 C ATOM 704 NH1 ARG A 52 -6.266 -5.102 16.765 1.00 0.00 N ATOM 705 NH2 ARG A 52 -6.851 -6.810 15.346 1.00 0.00 N ATOM 0 H ARG A 52 -10.465 -0.057 14.098 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.659 -1.316 16.005 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.415 -2.608 14.153 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.099 -1.317 13.011 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.446 -3.063 12.737 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.664 -1.613 13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.728 -3.022 14.845 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.244 -2.820 15.701 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.533 -4.960 13.819 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.188 -4.104 16.961 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.000 -5.784 17.475 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.223 -7.127 14.451 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.585 -7.491 16.057 1.00 0.00 H new ATOM 719 N ASP A 53 -7.922 1.476 14.709 1.00 0.00 N ATOM 720 CA ASP A 53 -6.964 2.569 14.596 1.00 0.00 C ATOM 721 C ASP A 53 -6.062 2.406 13.383 1.00 0.00 C ATOM 722 O ASP A 53 -6.144 1.423 12.648 1.00 0.00 O ATOM 723 CB ASP A 53 -6.172 2.689 15.897 1.00 0.00 C ATOM 724 CG ASP A 53 -4.982 3.634 15.852 1.00 0.00 C ATOM 725 OD1 ASP A 53 -5.187 4.856 16.017 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.838 3.171 15.648 1.00 0.00 O ATOM 0 H ASP A 53 -8.888 1.767 14.558 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.508 3.500 14.439 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.848 3.021 16.685 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.817 1.698 16.179 1.00 0.00 H new ATOM 731 N SER A 54 -5.260 3.415 13.154 1.00 0.00 N ATOM 732 CA SER A 54 -4.280 3.425 12.090 1.00 0.00 C ATOM 733 C SER A 54 -3.452 2.140 12.069 1.00 0.00 C ATOM 734 O SER A 54 -2.540 1.938 12.873 1.00 0.00 O ATOM 735 CB SER A 54 -3.384 4.652 12.224 1.00 0.00 C ATOM 736 OG SER A 54 -2.811 4.739 13.520 1.00 0.00 O ATOM 0 H SER A 54 -5.268 4.270 13.710 1.00 0.00 H new ATOM 0 HA SER A 54 -4.810 3.475 11.139 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.592 4.608 11.477 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.965 5.552 12.021 1.00 0.00 H new ATOM 0 HG SER A 54 -3.174 4.027 14.087 1.00 0.00 H new ATOM 742 N VAL A 55 -3.832 1.268 11.163 1.00 0.00 N ATOM 743 CA VAL A 55 -3.041 0.112 10.795 1.00 0.00 C ATOM 744 C VAL A 55 -1.954 0.592 9.857 1.00 0.00 C ATOM 745 O VAL A 55 -2.074 1.673 9.290 1.00 0.00 O ATOM 746 CB VAL A 55 -3.874 -0.936 10.063 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.124 -2.219 9.937 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.181 -1.200 10.756 1.00 0.00 C ATOM 0 H VAL A 55 -4.712 1.342 10.653 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.641 -0.346 11.699 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.081 -0.532 9.072 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.739 -2.950 9.412 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.204 -2.049 9.377 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.880 -2.597 10.930 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.742 -1.952 10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.991 -1.562 11.766 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.760 -0.278 10.804 1.00 0.00 H new ATOM 758 N LYS A 56 -0.898 -0.166 9.682 1.00 0.00 N ATOM 759 CA LYS A 56 0.203 0.330 8.861 1.00 0.00 C ATOM 760 C LYS A 56 0.705 -0.734 7.895 1.00 0.00 C ATOM 761 O LYS A 56 0.747 -1.916 8.234 1.00 0.00 O ATOM 762 CB LYS A 56 1.413 0.787 9.681 1.00 0.00 C ATOM 763 CG LYS A 56 1.179 1.312 11.093 1.00 0.00 C ATOM 764 CD LYS A 56 0.105 2.370 11.250 1.00 0.00 C ATOM 765 CE LYS A 56 0.739 3.666 11.704 1.00 0.00 C ATOM 766 NZ LYS A 56 -0.182 4.532 12.484 1.00 0.00 N ATOM 0 H LYS A 56 -0.769 -1.097 10.077 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.218 1.182 8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.103 -0.054 9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.920 1.570 9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.923 0.468 11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.118 1.721 11.465 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.415 2.519 10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.640 2.043 11.976 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.615 3.440 12.312 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.090 4.216 10.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.484 5.336 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.016 3.981 12.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.308 4.886 13.330 1.00 0.00 H new ATOM 780 N TRP A 57 1.111 -0.310 6.702 1.00 0.00 N ATOM 781 CA TRP A 57 1.773 -1.204 5.763 1.00 0.00 C ATOM 782 C TRP A 57 3.076 -0.640 5.251 1.00 0.00 C ATOM 783 O TRP A 57 3.107 0.128 4.294 1.00 0.00 O ATOM 784 CB TRP A 57 0.869 -1.586 4.606 1.00 0.00 C ATOM 785 CG TRP A 57 0.006 -2.726 4.997 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.287 -4.047 4.839 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.251 -2.655 5.656 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.737 -4.808 5.340 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.695 -3.974 5.846 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.051 -1.602 6.088 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.901 -4.263 6.458 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.245 -1.894 6.692 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.660 -3.210 6.872 1.00 0.00 C ATOM 0 H TRP A 57 0.993 0.645 6.365 1.00 0.00 H new ATOM 0 HA TRP A 57 2.003 -2.109 6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.253 -0.734 4.317 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.469 -1.854 3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.185 -4.439 4.385 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.778 -5.827 5.336 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.738 -0.578 5.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.228 -5.282 6.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.876 -1.088 7.035 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.608 -3.402 7.352 1.00 0.00 H new ATOM 804 N HIS A 58 4.157 -1.030 5.902 1.00 0.00 N ATOM 805 CA HIS A 58 5.474 -0.643 5.454 1.00 0.00 C ATOM 806 C HIS A 58 5.730 -1.219 4.053 1.00 0.00 C ATOM 807 O HIS A 58 5.294 -2.314 3.723 1.00 0.00 O ATOM 808 CB HIS A 58 6.552 -1.104 6.444 1.00 0.00 C ATOM 809 CG HIS A 58 7.897 -0.516 6.150 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.789 -1.099 5.284 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.456 0.651 6.532 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.830 -0.304 5.122 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.657 0.762 5.876 1.00 0.00 N ATOM 0 H HIS A 58 4.145 -1.612 6.739 1.00 0.00 H new ATOM 0 HA HIS A 58 5.524 0.445 5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.253 -0.828 7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.622 -2.191 6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.037 1.365 7.225 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.678 -0.495 4.481 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.309 1.542 5.959 1.00 0.00 H new ATOM 822 N TYR A 59 6.424 -0.442 3.239 1.00 0.00 N ATOM 823 CA TYR A 59 6.667 -0.755 1.832 1.00 0.00 C ATOM 824 C TYR A 59 7.513 -2.009 1.652 1.00 0.00 C ATOM 825 O TYR A 59 7.457 -2.661 0.617 1.00 0.00 O ATOM 826 CB TYR A 59 7.364 0.434 1.188 1.00 0.00 C ATOM 827 CG TYR A 59 6.421 1.499 0.727 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.295 1.792 1.460 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.640 2.181 -0.448 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.400 2.746 1.044 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.763 3.143 -0.877 1.00 0.00 C ATOM 832 CZ TYR A 59 4.644 3.424 -0.132 1.00 0.00 C ATOM 833 OH TYR A 59 3.779 4.388 -0.564 1.00 0.00 O ATOM 0 H TYR A 59 6.843 0.439 3.537 1.00 0.00 H new ATOM 0 HA TYR A 59 5.707 -0.951 1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.065 0.865 1.903 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.950 0.085 0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.111 1.261 2.382 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.515 1.955 -1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.518 2.962 1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.951 3.677 -1.796 1.00 0.00 H new ATOM 0 HH TYR A 59 3.897 5.198 -0.026 1.00 0.00 H new ATOM 843 N LEU A 60 8.284 -2.338 2.674 1.00 0.00 N ATOM 844 CA LEU A 60 9.093 -3.553 2.686 1.00 0.00 C ATOM 845 C LEU A 60 8.243 -4.712 3.156 1.00 0.00 C ATOM 846 O LEU A 60 8.741 -5.748 3.598 1.00 0.00 O ATOM 847 CB LEU A 60 10.322 -3.392 3.577 1.00 0.00 C ATOM 848 CG LEU A 60 11.627 -3.119 2.842 1.00 0.00 C ATOM 849 CD1 LEU A 60 12.065 -4.331 2.031 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.469 -1.916 1.949 1.00 0.00 C ATOM 0 H LEU A 60 8.370 -1.774 3.520 1.00 0.00 H new ATOM 0 HA LEU A 60 9.448 -3.749 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.140 -2.575 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.441 -4.298 4.171 1.00 0.00 H new ATOM 0 HG LEU A 60 12.402 -2.916 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.000 -4.106 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.212 -5.181 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.297 -4.575 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.406 -1.726 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.679 -2.104 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.207 -1.047 2.552 1.00 0.00 H new ATOM 862 N CYS A 61 6.951 -4.498 3.104 1.00 0.00 N ATOM 863 CA CYS A 61 5.997 -5.495 3.511 1.00 0.00 C ATOM 864 C CYS A 61 5.024 -5.757 2.372 1.00 0.00 C ATOM 865 O CYS A 61 4.540 -6.878 2.211 1.00 0.00 O ATOM 866 CB CYS A 61 5.263 -5.035 4.771 1.00 0.00 C ATOM 867 SG CYS A 61 4.129 -6.249 5.478 1.00 0.00 S ATOM 0 H CYS A 61 6.533 -3.627 2.778 1.00 0.00 H new ATOM 0 HA CYS A 61 6.514 -6.425 3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.002 -4.767 5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.703 -4.130 4.537 1.00 0.00 H new ATOM 0 HG CYS A 61 3.567 -5.751 6.540 1.00 0.00 H new ATOM 873 N LEU A 62 4.747 -4.722 1.577 1.00 0.00 N ATOM 874 CA LEU A 62 3.955 -4.893 0.372 1.00 0.00 C ATOM 875 C LEU A 62 4.633 -5.904 -0.542 1.00 0.00 C ATOM 876 O LEU A 62 5.837 -5.844 -0.752 1.00 0.00 O ATOM 877 CB LEU A 62 3.780 -3.565 -0.393 1.00 0.00 C ATOM 878 CG LEU A 62 2.927 -2.463 0.272 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.909 -1.903 -0.710 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.204 -2.965 1.507 1.00 0.00 C ATOM 0 H LEU A 62 5.059 -3.766 1.749 1.00 0.00 H new ATOM 0 HA LEU A 62 2.968 -5.247 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.771 -3.154 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.338 -3.792 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 62 3.617 -1.676 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.319 -1.128 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.428 -1.476 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.249 -2.703 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.617 -2.155 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.542 -3.786 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.933 -3.316 2.238 1.00 0.00 H new ATOM 892 N ARG A 63 3.863 -6.860 -1.017 1.00 0.00 N ATOM 893 CA ARG A 63 4.304 -7.786 -2.036 1.00 0.00 C ATOM 894 C ARG A 63 3.634 -7.426 -3.349 1.00 0.00 C ATOM 895 O ARG A 63 4.308 -7.140 -4.338 1.00 0.00 O ATOM 896 CB ARG A 63 3.961 -9.234 -1.673 1.00 0.00 C ATOM 897 CG ARG A 63 4.783 -9.831 -0.543 1.00 0.00 C ATOM 898 CD ARG A 63 4.383 -11.281 -0.317 1.00 0.00 C ATOM 899 NE ARG A 63 5.179 -11.952 0.709 1.00 0.00 N ATOM 900 CZ ARG A 63 4.757 -13.028 1.373 1.00 0.00 C ATOM 901 NH1 ARG A 63 3.547 -13.519 1.134 1.00 0.00 N ATOM 902 NH2 ARG A 63 5.546 -13.619 2.261 1.00 0.00 N ATOM 0 H ARG A 63 2.905 -7.017 -0.703 1.00 0.00 H new ATOM 0 HA ARG A 63 5.388 -7.710 -2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.907 -9.283 -1.399 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.089 -9.854 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.844 -9.771 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.631 -9.257 0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.331 -11.319 -0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.480 -11.827 -1.255 1.00 0.00 H new ATOM 0 HE ARG A 63 6.103 -11.579 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.943 -13.073 0.444 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.221 -14.342 1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.480 -13.250 2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.218 -14.442 2.766 1.00 0.00 H new ATOM 916 N ARG A 64 2.298 -7.402 -3.352 1.00 0.00 N ATOM 917 CA ARG A 64 1.575 -7.083 -4.579 1.00 0.00 C ATOM 918 C ARG A 64 0.427 -6.132 -4.343 1.00 0.00 C ATOM 919 O ARG A 64 -0.527 -6.443 -3.660 1.00 0.00 O ATOM 920 CB ARG A 64 1.102 -8.343 -5.306 1.00 0.00 C ATOM 921 CG ARG A 64 0.057 -9.211 -4.653 1.00 0.00 C ATOM 922 CD ARG A 64 -0.155 -10.429 -5.540 1.00 0.00 C ATOM 923 NE ARG A 64 1.137 -11.046 -5.884 1.00 0.00 N ATOM 924 CZ ARG A 64 1.414 -12.348 -5.810 1.00 0.00 C ATOM 925 NH1 ARG A 64 0.486 -13.216 -5.442 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.634 -12.781 -6.122 1.00 0.00 N ATOM 0 H ARG A 64 1.711 -7.594 -2.540 1.00 0.00 H new ATOM 0 HA ARG A 64 2.288 -6.572 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.716 -8.037 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.978 -8.965 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.380 -9.515 -3.657 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.876 -8.660 -4.531 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -0.786 -11.155 -5.027 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.679 -10.137 -6.450 1.00 0.00 H new ATOM 0 HE ARG A 64 1.881 -10.427 -6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.453 -12.891 -5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.710 -14.210 -5.389 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.351 -12.118 -6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.852 -13.776 -6.067 1.00 0.00 H new ATOM 940 N TYR A 65 0.499 -5.001 -4.998 1.00 0.00 N ATOM 941 CA TYR A 65 -0.385 -3.892 -4.718 1.00 0.00 C ATOM 942 C TYR A 65 -1.018 -3.406 -5.990 1.00 0.00 C ATOM 943 O TYR A 65 -0.382 -3.392 -7.036 1.00 0.00 O ATOM 944 CB TYR A 65 0.384 -2.773 -4.020 1.00 0.00 C ATOM 945 CG TYR A 65 1.673 -2.393 -4.706 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.741 -3.273 -4.755 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.828 -1.153 -5.289 1.00 0.00 C ATOM 948 CE1 TYR A 65 3.914 -2.927 -5.374 1.00 0.00 C ATOM 949 CE2 TYR A 65 2.993 -0.798 -5.900 1.00 0.00 C ATOM 950 CZ TYR A 65 4.039 -1.686 -5.948 1.00 0.00 C ATOM 951 OH TYR A 65 5.212 -1.333 -6.572 1.00 0.00 O ATOM 0 H TYR A 65 1.173 -4.820 -5.742 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.180 -4.224 -4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.255 -1.892 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.605 -3.081 -2.998 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.648 -4.247 -4.298 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.009 -0.449 -5.261 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.736 -3.627 -5.410 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.093 0.181 -6.346 1.00 0.00 H new ATOM 0 HH TYR A 65 5.733 -0.748 -5.983 1.00 0.00 H new ATOM 961 N GLY A 66 -2.273 -3.022 -5.905 1.00 0.00 N ATOM 962 CA GLY A 66 -3.026 -2.815 -7.103 1.00 0.00 C ATOM 963 C GLY A 66 -4.076 -1.762 -7.006 1.00 0.00 C ATOM 964 O GLY A 66 -4.184 -1.026 -6.025 1.00 0.00 O ATOM 0 H GLY A 66 -2.777 -2.852 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.339 -2.550 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.499 -3.755 -7.385 1.00 0.00 H new ATOM 968 N TYR A 67 -4.896 -1.787 -8.022 1.00 0.00 N ATOM 969 CA TYR A 67 -5.937 -0.820 -8.252 1.00 0.00 C ATOM 970 C TYR A 67 -6.942 -1.429 -9.216 1.00 0.00 C ATOM 971 O TYR A 67 -6.566 -1.915 -10.281 1.00 0.00 O ATOM 972 CB TYR A 67 -5.352 0.452 -8.878 1.00 0.00 C ATOM 973 CG TYR A 67 -6.290 1.096 -9.877 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.505 1.597 -9.456 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.977 1.183 -11.227 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.392 2.164 -10.337 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.859 1.756 -12.125 1.00 0.00 C ATOM 978 CZ TYR A 67 -8.068 2.243 -11.672 1.00 0.00 C ATOM 979 OH TYR A 67 -8.960 2.804 -12.555 1.00 0.00 O ATOM 0 H TYR A 67 -4.856 -2.510 -8.741 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.412 -0.559 -7.306 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.121 1.168 -8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.412 0.209 -9.373 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.764 1.542 -8.409 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.032 0.798 -11.581 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.339 2.546 -9.984 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.604 1.822 -13.172 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.581 2.785 -13.459 1.00 0.00 H new ATOM 989 N ASP A 68 -8.192 -1.440 -8.826 1.00 0.00 N ATOM 990 CA ASP A 68 -9.271 -1.676 -9.748 1.00 0.00 C ATOM 991 C ASP A 68 -10.426 -0.792 -9.325 1.00 0.00 C ATOM 992 O ASP A 68 -10.252 -0.069 -8.360 1.00 0.00 O ATOM 993 CB ASP A 68 -9.640 -3.146 -9.845 1.00 0.00 C ATOM 994 CG ASP A 68 -10.617 -3.409 -10.996 1.00 0.00 C ATOM 995 OD1 ASP A 68 -10.143 -3.636 -12.129 1.00 0.00 O ATOM 996 OD2 ASP A 68 -11.850 -3.360 -10.797 1.00 0.00 O ATOM 0 H ASP A 68 -8.488 -1.286 -7.862 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.968 -1.415 -10.762 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.737 -3.739 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.087 -3.472 -8.906 1.00 0.00 H new ATOM 1001 N SER A 69 -11.507 -0.740 -10.103 1.00 0.00 N ATOM 1002 CA SER A 69 -12.694 0.054 -9.798 1.00 0.00 C ATOM 1003 C SER A 69 -12.847 0.366 -8.298 1.00 0.00 C ATOM 1004 O SER A 69 -13.372 -0.447 -7.536 1.00 0.00 O ATOM 1005 CB SER A 69 -13.928 -0.691 -10.302 1.00 0.00 C ATOM 1006 OG SER A 69 -13.747 -1.111 -11.648 1.00 0.00 O ATOM 0 H SER A 69 -11.582 -1.258 -10.978 1.00 0.00 H new ATOM 0 HA SER A 69 -12.584 1.014 -10.302 1.00 0.00 H new ATOM 0 HB2 SER A 69 -14.120 -1.557 -9.668 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.803 -0.045 -10.232 1.00 0.00 H new ATOM 0 HG SER A 69 -14.547 -1.588 -11.952 1.00 0.00 H new ATOM 1012 N ASN A 70 -12.363 1.560 -7.902 1.00 0.00 N ATOM 1013 CA ASN A 70 -12.297 2.007 -6.493 1.00 0.00 C ATOM 1014 C ASN A 70 -11.874 0.901 -5.522 1.00 0.00 C ATOM 1015 O ASN A 70 -12.367 0.819 -4.407 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.594 2.655 -6.014 1.00 0.00 C ATOM 1017 CG ASN A 70 -14.839 1.821 -6.239 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -15.222 0.998 -5.409 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -15.497 2.064 -7.354 1.00 0.00 N ATOM 0 H ASN A 70 -12.002 2.251 -8.559 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.515 2.766 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.505 2.870 -4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.716 3.611 -6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.361 1.561 -7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.143 2.756 -8.015 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.938 0.081 -5.941 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.379 -0.964 -5.106 1.00 0.00 C ATOM 1028 C LEU A 71 -8.845 -0.870 -5.175 1.00 0.00 C ATOM 1029 O LEU A 71 -8.265 -1.142 -6.220 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.832 -2.339 -5.652 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.667 -3.254 -4.725 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.359 -4.738 -4.904 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.501 -2.902 -3.269 1.00 0.00 C ATOM 0 H LEU A 71 -10.538 0.119 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.716 -0.851 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.413 -2.163 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.940 -2.890 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.699 -3.075 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.979 -5.323 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.571 -5.032 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.307 -4.920 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.107 -3.573 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.453 -3.004 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.822 -1.874 -3.104 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.184 -0.488 -4.091 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.720 -0.495 -4.058 1.00 0.00 C ATOM 1047 C PHE A 72 -6.275 -1.634 -3.167 1.00 0.00 C ATOM 1048 O PHE A 72 -6.862 -1.869 -2.118 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.124 0.853 -3.583 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.089 0.754 -2.498 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.472 0.752 -1.176 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.729 0.672 -2.791 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.528 0.674 -0.187 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.801 0.599 -1.802 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.194 0.602 -0.511 1.00 0.00 C ATOM 0 H PHE A 72 -8.628 -0.172 -3.229 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.347 -0.637 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.679 1.357 -4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.938 1.486 -3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.519 0.812 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.408 0.666 -3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.832 0.669 0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.751 0.539 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.454 0.547 0.274 1.00 0.00 H new ATOM 1065 N SER A 73 -5.265 -2.353 -3.579 1.00 0.00 N ATOM 1066 CA SER A 73 -4.863 -3.529 -2.848 1.00 0.00 C ATOM 1067 C SER A 73 -3.367 -3.562 -2.611 1.00 0.00 C ATOM 1068 O SER A 73 -2.620 -2.807 -3.226 1.00 0.00 O ATOM 1069 CB SER A 73 -5.301 -4.767 -3.614 1.00 0.00 C ATOM 1070 OG SER A 73 -4.839 -5.959 -3.005 1.00 0.00 O ATOM 0 H SER A 73 -4.709 -2.149 -4.409 1.00 0.00 H new ATOM 0 HA SER A 73 -5.344 -3.506 -1.870 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.389 -4.789 -3.675 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.925 -4.713 -4.636 1.00 0.00 H new ATOM 0 HG SER A 73 -5.195 -6.020 -2.094 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.958 -4.417 -1.688 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.569 -4.776 -1.508 1.00 0.00 C ATOM 1078 C PHE A 74 -1.475 -6.105 -0.756 1.00 0.00 C ATOM 1079 O PHE A 74 -2.234 -6.364 0.177 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.780 -3.670 -0.805 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.379 -3.127 0.453 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.672 -3.962 1.511 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.607 -1.768 0.593 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.192 -3.464 2.673 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.117 -1.267 1.766 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.411 -2.113 2.803 1.00 0.00 C ATOM 0 H PHE A 74 -3.591 -4.884 -1.038 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.113 -4.898 -2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.214 -4.053 -0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.649 -2.845 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.488 -5.022 1.420 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.383 -1.099 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.431 -4.131 3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.286 -0.206 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.815 -1.718 3.723 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.611 -6.984 -1.230 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.265 -8.173 -0.492 1.00 0.00 C ATOM 1098 C GLU A 75 0.782 -7.790 0.515 1.00 0.00 C ATOM 1099 O GLU A 75 1.690 -7.057 0.169 1.00 0.00 O ATOM 1100 CB GLU A 75 0.265 -9.268 -1.404 1.00 0.00 C ATOM 1101 CG GLU A 75 0.577 -10.570 -0.685 1.00 0.00 C ATOM 1102 CD GLU A 75 0.746 -11.733 -1.640 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.805 -11.830 -2.284 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -0.184 -12.561 -1.744 1.00 0.00 O ATOM 0 H GLU A 75 -0.137 -6.891 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.155 -8.570 -0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.469 -9.463 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.169 -8.911 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.489 -10.449 -0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.225 -10.795 0.018 1.00 0.00 H new ATOM 1111 N SER A 76 0.655 -8.232 1.742 1.00 0.00 N ATOM 1112 CA SER A 76 1.633 -7.873 2.747 1.00 0.00 C ATOM 1113 C SER A 76 2.276 -9.118 3.348 1.00 0.00 C ATOM 1114 O SER A 76 1.585 -10.041 3.790 1.00 0.00 O ATOM 1115 CB SER A 76 0.973 -7.007 3.818 1.00 0.00 C ATOM 1116 OG SER A 76 -0.082 -7.703 4.473 1.00 0.00 O ATOM 0 H SER A 76 -0.102 -8.832 2.069 1.00 0.00 H new ATOM 0 HA SER A 76 2.431 -7.295 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.719 -6.701 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.582 -6.097 3.362 1.00 0.00 H new ATOM 0 HG SER A 76 0.066 -8.669 4.396 1.00 0.00 H new ATOM 1250 N ILE A 86 -3.212 -10.813 0.881 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.827 -9.832 0.002 1.00 0.00 C ATOM 1252 C ILE A 86 -4.890 -9.072 0.781 1.00 0.00 C ATOM 1253 O ILE A 86 -5.945 -9.625 1.101 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.504 -10.450 -1.243 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -3.491 -11.104 -2.189 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.284 -9.375 -1.974 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -2.452 -10.155 -2.742 1.00 0.00 C ATOM 0 HA ILE A 86 -3.023 -9.184 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.178 -11.237 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.984 -11.910 -1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.029 -11.559 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.763 -9.807 -2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.045 -8.964 -1.311 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.605 -8.581 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.776 -10.700 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.946 -9.362 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.884 -9.718 -1.920 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.613 -7.826 1.103 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.586 -7.005 1.790 1.00 0.00 C ATOM 1271 C PHE A 87 -5.915 -5.805 0.933 1.00 0.00 C ATOM 1272 O PHE A 87 -5.106 -4.892 0.766 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.061 -6.593 3.169 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.100 -6.039 4.117 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.436 -6.417 4.045 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.723 -5.146 5.103 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.365 -5.907 4.940 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.645 -4.639 5.999 1.00 0.00 C ATOM 1279 CZ PHE A 87 -7.964 -5.014 5.919 1.00 0.00 C ATOM 0 H PHE A 87 -3.727 -7.362 0.901 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.501 -7.574 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.593 -7.460 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.281 -5.844 3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.754 -7.115 3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.690 -4.839 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.401 -6.206 4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.328 -3.946 6.764 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.685 -4.614 6.617 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.095 -5.842 0.352 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.525 -4.804 -0.547 1.00 0.00 C ATOM 1291 C ALA A 88 -8.525 -3.881 0.139 1.00 0.00 C ATOM 1292 O ALA A 88 -9.311 -4.306 0.992 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.115 -5.414 -1.797 1.00 0.00 C ATOM 0 H ALA A 88 -7.776 -6.589 0.491 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.661 -4.204 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.438 -4.621 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.363 -6.028 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.971 -6.034 -1.530 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.483 -2.617 -0.223 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.393 -1.639 0.320 1.00 0.00 C ATOM 1301 C PHE A 89 -10.086 -0.960 -0.816 1.00 0.00 C ATOM 1302 O PHE A 89 -9.465 -0.593 -1.808 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.687 -0.584 1.157 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.613 -1.151 1.992 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.384 -1.300 1.445 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.828 -1.544 3.295 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.358 -1.836 2.161 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.804 -2.084 4.036 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.562 -2.234 3.465 1.00 0.00 C ATOM 0 H PHE A 89 -7.819 -2.242 -0.900 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.094 -2.161 0.971 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.268 0.177 0.498 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.415 -0.085 1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.215 -0.989 0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.807 -1.427 3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.384 -1.949 1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.973 -2.388 5.058 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.751 -2.661 4.035 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.358 -0.789 -0.666 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.146 -0.154 -1.661 1.00 0.00 C ATOM 1321 C LYS A 90 -11.888 1.345 -1.604 1.00 0.00 C ATOM 1322 O LYS A 90 -12.595 2.098 -0.935 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.591 -0.485 -1.420 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.406 -0.625 -2.669 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.616 -1.494 -2.444 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.429 -0.968 -1.298 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.654 -1.779 -1.086 1.00 0.00 N ATOM 0 H LYS A 90 -11.880 -1.089 0.157 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.883 -0.506 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.650 -1.415 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.032 0.294 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.723 0.360 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.791 -1.054 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.225 -1.523 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.304 -2.518 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.826 -0.973 -0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.706 0.068 -1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.431 -1.160 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.919 -2.247 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.472 -2.498 -0.357 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.837 1.750 -2.288 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.389 3.128 -2.275 1.00 0.00 C ATOM 1343 C CYS A 91 -10.839 3.806 -3.555 1.00 0.00 C ATOM 1344 O CYS A 91 -10.488 3.363 -4.640 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.863 3.218 -2.172 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.248 4.918 -2.211 1.00 0.00 S ATOM 0 H CYS A 91 -10.269 1.133 -2.869 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.821 3.621 -1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.539 2.742 -1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.416 2.657 -2.993 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.906 5.637 -1.351 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.603 4.876 -3.454 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.078 5.551 -4.647 1.00 0.00 C ATOM 1354 C ALA A 92 -10.939 6.268 -5.354 1.00 0.00 C ATOM 1355 O ALA A 92 -11.028 6.577 -6.541 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.207 6.501 -4.331 1.00 0.00 C ATOM 0 H ALA A 92 -11.905 5.292 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.470 4.792 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.539 6.990 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.038 5.947 -3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.861 7.254 -3.623 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.867 6.530 -4.616 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.626 6.997 -5.217 1.00 0.00 C ATOM 1364 C ARG A 93 -7.686 5.828 -5.406 1.00 0.00 C ATOM 1365 O ARG A 93 -6.494 6.020 -5.392 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.901 8.044 -4.355 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.323 9.484 -4.581 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.829 9.655 -4.611 1.00 0.00 C ATOM 1369 NE ARG A 93 -10.210 11.059 -4.521 1.00 0.00 N ATOM 1370 CZ ARG A 93 -10.615 11.791 -5.556 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -10.611 11.283 -6.785 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -10.987 13.049 -5.369 1.00 0.00 N ATOM 0 H ARG A 93 -9.833 6.427 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.895 7.459 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.060 7.798 -3.305 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.830 7.964 -4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.906 10.109 -3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.903 9.838 -5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.226 9.228 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.275 9.102 -3.784 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.163 11.509 -3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.296 10.325 -6.940 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.923 11.851 -7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.963 13.454 -4.433 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.298 13.612 -6.161 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.224 4.622 -5.550 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.402 3.415 -5.693 1.00 0.00 C ATOM 1388 C ALA A 94 -6.284 3.632 -6.681 1.00 0.00 C ATOM 1389 O ALA A 94 -5.124 3.442 -6.367 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.235 2.268 -6.205 1.00 0.00 C ATOM 0 H ALA A 94 -9.229 4.449 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.994 3.189 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.610 1.381 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.044 2.064 -5.504 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.654 2.528 -7.177 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.678 3.995 -7.891 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.730 4.322 -8.962 1.00 0.00 C ATOM 1398 C GLU A 95 -4.646 5.256 -8.454 1.00 0.00 C ATOM 1399 O GLU A 95 -3.457 4.967 -8.537 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.448 4.982 -10.145 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.537 5.964 -9.747 1.00 0.00 C ATOM 1402 CD GLU A 95 -7.784 7.026 -10.798 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -6.955 7.954 -10.926 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.815 6.952 -11.494 1.00 0.00 O ATOM 0 H GLU A 95 -7.657 4.073 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.276 3.389 -9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.712 5.503 -10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.887 4.203 -10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.463 5.418 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.260 6.445 -8.809 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.109 6.355 -7.909 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.280 7.409 -7.363 1.00 0.00 C ATOM 1413 C GLU A 96 -3.388 6.881 -6.253 1.00 0.00 C ATOM 1414 O GLU A 96 -2.188 7.144 -6.226 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.227 8.462 -6.801 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.593 9.781 -6.457 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.997 10.481 -7.655 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.686 10.564 -8.693 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.856 10.974 -7.557 1.00 0.00 O ATOM 0 H GLU A 96 -6.107 6.549 -7.829 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.631 7.820 -8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.020 8.638 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.699 8.060 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.341 10.429 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.813 9.620 -5.713 1.00 0.00 H new ATOM 1426 N LEU A 97 -4.002 6.149 -5.339 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.339 5.591 -4.201 1.00 0.00 C ATOM 1428 C LEU A 97 -2.323 4.565 -4.629 1.00 0.00 C ATOM 1429 O LEU A 97 -1.138 4.716 -4.372 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.375 4.952 -3.298 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.973 4.939 -1.847 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.177 4.963 -0.980 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.215 3.684 -1.554 1.00 0.00 C ATOM 0 H LEU A 97 -4.997 5.929 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.815 6.382 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.318 5.489 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.553 3.928 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.357 5.817 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.872 4.953 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.753 5.866 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.792 4.087 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.923 3.672 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.846 2.820 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.323 3.643 -2.179 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.798 3.528 -5.287 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.932 2.499 -5.802 1.00 0.00 C ATOM 1447 C PHE A 98 -0.750 3.141 -6.519 1.00 0.00 C ATOM 1448 O PHE A 98 0.394 2.884 -6.175 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.707 1.571 -6.746 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.812 0.837 -7.678 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.867 0.000 -7.161 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.869 1.030 -9.047 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.027 -0.636 -7.970 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.984 0.375 -9.879 1.00 0.00 C ATOM 1455 CZ PHE A 98 -0.026 -0.456 -9.331 1.00 0.00 C ATOM 0 H PHE A 98 -3.789 3.379 -5.477 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.556 1.896 -4.975 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.281 0.855 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.424 2.158 -7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.826 -0.161 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.609 1.696 -9.466 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.778 -1.282 -7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.040 0.511 -10.949 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.680 -0.963 -9.972 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.057 4.007 -7.480 1.00 0.00 N ATOM 1466 CA ASN A 99 -0.048 4.772 -8.224 1.00 0.00 C ATOM 1467 C ASN A 99 0.917 5.449 -7.293 1.00 0.00 C ATOM 1468 O ASN A 99 2.103 5.150 -7.323 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.714 5.842 -9.093 1.00 0.00 C ATOM 1470 CG ASN A 99 0.138 6.261 -10.280 1.00 0.00 C ATOM 1471 OD1 ASN A 99 0.107 7.416 -10.699 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.892 5.328 -10.838 1.00 0.00 N ATOM 0 H ASN A 99 -2.015 4.202 -7.770 1.00 0.00 H new ATOM 0 HA ASN A 99 0.492 4.064 -8.853 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.670 5.464 -9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.929 6.718 -8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.474 5.557 -11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.892 4.380 -10.462 1.00 0.00 H new ATOM 1479 N MET A 100 0.400 6.337 -6.464 1.00 0.00 N ATOM 1480 CA MET A 100 1.209 7.087 -5.526 1.00 0.00 C ATOM 1481 C MET A 100 2.133 6.135 -4.799 1.00 0.00 C ATOM 1482 O MET A 100 3.341 6.314 -4.795 1.00 0.00 O ATOM 1483 CB MET A 100 0.286 7.799 -4.545 1.00 0.00 C ATOM 1484 CG MET A 100 0.967 8.812 -3.659 1.00 0.00 C ATOM 1485 SD MET A 100 0.153 8.975 -2.078 1.00 0.00 S ATOM 1486 CE MET A 100 -1.506 9.262 -2.631 1.00 0.00 C ATOM 0 H MET A 100 -0.595 6.558 -6.423 1.00 0.00 H new ATOM 0 HA MET A 100 1.814 7.830 -6.047 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.502 8.300 -5.107 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.197 7.052 -3.915 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.005 8.518 -3.503 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.982 9.780 -4.160 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.169 9.335 -1.769 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.545 10.192 -3.199 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.826 8.436 -3.266 1.00 0.00 H new ATOM 1496 N LEU A 101 1.538 5.109 -4.220 1.00 0.00 N ATOM 1497 CA LEU A 101 2.273 3.996 -3.632 1.00 0.00 C ATOM 1498 C LEU A 101 3.403 3.490 -4.537 1.00 0.00 C ATOM 1499 O LEU A 101 4.561 3.525 -4.129 1.00 0.00 O ATOM 1500 CB LEU A 101 1.289 2.868 -3.309 1.00 0.00 C ATOM 1501 CG LEU A 101 1.868 1.478 -3.097 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.900 1.466 -1.997 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.744 0.524 -2.779 1.00 0.00 C ATOM 0 H LEU A 101 0.525 5.020 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 101 2.751 4.350 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.741 3.146 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.563 2.811 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 101 2.373 1.166 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.290 0.456 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.715 2.141 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.441 1.792 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.148 -0.476 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.233 0.852 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.037 0.506 -3.608 1.00 0.00 H new ATOM 1515 N GLN A 102 3.081 3.024 -5.753 1.00 0.00 N ATOM 1516 CA GLN A 102 4.112 2.479 -6.646 1.00 0.00 C ATOM 1517 C GLN A 102 5.206 3.521 -6.892 1.00 0.00 C ATOM 1518 O GLN A 102 6.387 3.194 -6.967 1.00 0.00 O ATOM 1519 CB GLN A 102 3.568 1.995 -8.002 1.00 0.00 C ATOM 1520 CG GLN A 102 2.098 2.015 -8.167 1.00 0.00 C ATOM 1521 CD GLN A 102 1.715 2.158 -9.622 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.689 2.734 -9.971 1.00 0.00 O ATOM 1523 NE2 GLN A 102 2.553 1.642 -10.483 1.00 0.00 N ATOM 0 H GLN A 102 2.135 3.013 -6.134 1.00 0.00 H new ATOM 0 HA GLN A 102 4.515 1.606 -6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.008 2.611 -8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.916 0.975 -8.165 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.671 1.096 -7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.676 2.841 -7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.396 1.171 -10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.364 1.711 -11.483 1.00 0.00 H new ATOM 1532 N GLU A 103 4.795 4.780 -6.995 1.00 0.00 N ATOM 1533 CA GLU A 103 5.715 5.892 -7.228 1.00 0.00 C ATOM 1534 C GLU A 103 6.570 6.156 -6.006 1.00 0.00 C ATOM 1535 O GLU A 103 7.782 6.307 -6.117 1.00 0.00 O ATOM 1536 CB GLU A 103 4.938 7.151 -7.564 1.00 0.00 C ATOM 1537 CG GLU A 103 3.857 6.947 -8.603 1.00 0.00 C ATOM 1538 CD GLU A 103 4.401 6.774 -10.008 1.00 0.00 C ATOM 1539 OE1 GLU A 103 5.025 5.733 -10.293 1.00 0.00 O ATOM 1540 OE2 GLU A 103 4.214 7.694 -10.836 1.00 0.00 O ATOM 0 H GLU A 103 3.817 5.060 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 103 6.361 5.619 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.483 7.539 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.633 7.910 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.269 6.068 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.180 7.801 -8.585 1.00 0.00 H new ATOM 1547 N ILE A 104 5.939 6.233 -4.844 1.00 0.00 N ATOM 1548 CA ILE A 104 6.667 6.380 -3.600 1.00 0.00 C ATOM 1549 C ILE A 104 7.673 5.246 -3.469 1.00 0.00 C ATOM 1550 O ILE A 104 8.813 5.456 -3.054 1.00 0.00 O ATOM 1551 CB ILE A 104 5.741 6.390 -2.368 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.942 7.684 -2.286 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.565 6.233 -1.120 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.468 7.471 -2.093 1.00 0.00 C ATOM 0 H ILE A 104 4.925 6.196 -4.740 1.00 0.00 H new ATOM 0 HA ILE A 104 7.174 7.344 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 104 5.040 5.561 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.324 8.285 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.101 8.258 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.910 6.240 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.108 5.288 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.275 7.057 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.964 8.436 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.071 6.897 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.298 6.925 -1.165 1.00 0.00 H new ATOM 1566 N MET A 105 7.241 4.053 -3.864 1.00 0.00 N ATOM 1567 CA MET A 105 8.104 2.883 -3.876 1.00 0.00 C ATOM 1568 C MET A 105 9.360 3.144 -4.703 1.00 0.00 C ATOM 1569 O MET A 105 10.469 2.779 -4.314 1.00 0.00 O ATOM 1570 CB MET A 105 7.367 1.670 -4.433 1.00 0.00 C ATOM 1571 CG MET A 105 6.289 1.140 -3.510 1.00 0.00 C ATOM 1572 SD MET A 105 5.972 -0.603 -3.774 1.00 0.00 S ATOM 1573 CE MET A 105 5.156 -1.004 -2.246 1.00 0.00 C ATOM 0 H MET A 105 6.289 3.873 -4.182 1.00 0.00 H new ATOM 0 HA MET A 105 8.395 2.677 -2.846 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.917 1.936 -5.389 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.088 0.876 -4.630 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.588 1.301 -2.474 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.369 1.703 -3.667 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.807 -1.635 -1.641 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.931 -0.087 -1.702 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.229 -1.537 -2.458 1.00 0.00 H new ATOM 1583 N GLN A 106 9.167 3.803 -5.837 1.00 0.00 N ATOM 1584 CA GLN A 106 10.249 4.115 -6.749 1.00 0.00 C ATOM 1585 C GLN A 106 11.129 5.233 -6.203 1.00 0.00 C ATOM 1586 O GLN A 106 12.357 5.152 -6.211 1.00 0.00 O ATOM 1587 CB GLN A 106 9.667 4.549 -8.078 1.00 0.00 C ATOM 1588 CG GLN A 106 8.829 3.476 -8.730 1.00 0.00 C ATOM 1589 CD GLN A 106 9.637 2.433 -9.479 1.00 0.00 C ATOM 1590 OE1 GLN A 106 10.895 2.265 -9.119 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 9.136 1.805 -10.411 1.00 0.00 N flip ATOM 0 H GLN A 106 8.254 4.135 -6.147 1.00 0.00 H new ATOM 0 HA GLN A 106 10.863 3.223 -6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.056 5.439 -7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.478 4.828 -8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.234 2.979 -7.964 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.130 3.945 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.160 1.959 -10.663 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.697 1.130 -10.931 1.00 0.00 H new ATOM 1600 N ASN A 107 10.471 6.260 -5.698 1.00 0.00 N ATOM 1601 CA ASN A 107 11.110 7.533 -5.412 1.00 0.00 C ATOM 1602 C ASN A 107 11.661 7.631 -3.993 1.00 0.00 C ATOM 1603 O ASN A 107 12.357 8.589 -3.670 1.00 0.00 O ATOM 1604 CB ASN A 107 10.114 8.660 -5.666 1.00 0.00 C ATOM 1605 CG ASN A 107 9.881 8.905 -7.143 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.588 9.691 -7.774 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.882 8.240 -7.703 1.00 0.00 N ATOM 0 H ASN A 107 9.476 6.236 -5.474 1.00 0.00 H new ATOM 0 HA ASN A 107 11.969 7.619 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.165 8.417 -5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.480 9.576 -5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.674 8.370 -8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.320 7.598 -7.144 1.00 0.00 H new ATOM 1614 N ASN A 108 11.362 6.661 -3.140 1.00 0.00 N ATOM 1615 CA ASN A 108 11.849 6.718 -1.763 1.00 0.00 C ATOM 1616 C ASN A 108 12.894 5.662 -1.479 1.00 0.00 C ATOM 1617 O ASN A 108 13.697 5.827 -0.566 1.00 0.00 O ATOM 1618 CB ASN A 108 10.708 6.605 -0.751 1.00 0.00 C ATOM 1619 CG ASN A 108 9.925 7.895 -0.654 1.00 0.00 C ATOM 1620 OD1 ASN A 108 10.195 8.736 0.201 1.00 0.00 O ATOM 1621 ND2 ASN A 108 8.969 8.077 -1.547 1.00 0.00 N ATOM 0 H ASN A 108 10.798 5.842 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 108 12.317 7.696 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.041 5.794 -1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.113 6.349 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 108 8.425 8.940 -1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.775 7.355 -2.241 1.00 0.00 H new ATOM 1628 N SER A 109 12.860 4.569 -2.242 1.00 0.00 N ATOM 1629 CA SER A 109 13.746 3.417 -2.017 1.00 0.00 C ATOM 1630 C SER A 109 13.315 2.670 -0.750 1.00 0.00 C ATOM 1631 O SER A 109 13.440 1.447 -0.666 1.00 0.00 O ATOM 1632 CB SER A 109 15.217 3.857 -1.927 1.00 0.00 C ATOM 1633 OG SER A 109 16.085 2.757 -1.704 1.00 0.00 O ATOM 0 H SER A 109 12.223 4.453 -3.030 1.00 0.00 H new ATOM 0 HA SER A 109 13.661 2.741 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.502 4.363 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.331 4.579 -1.119 1.00 0.00 H new ATOM 0 HG SER A 109 17.010 3.075 -1.654 1.00 0.00 H new ATOM 1639 N ILE A 110 12.790 3.429 0.208 1.00 0.00 N ATOM 1640 CA ILE A 110 12.153 2.900 1.395 1.00 0.00 C ATOM 1641 C ILE A 110 13.151 2.301 2.377 1.00 0.00 C ATOM 1642 O ILE A 110 13.422 1.098 2.387 1.00 0.00 O ATOM 1643 CB ILE A 110 11.022 1.911 1.064 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.855 2.638 0.414 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.542 1.233 2.314 1.00 0.00 C ATOM 1646 CD1 ILE A 110 10.094 3.149 -0.981 1.00 0.00 C ATOM 0 H ILE A 110 12.799 4.448 0.174 1.00 0.00 H new ATOM 0 HA ILE A 110 11.694 3.754 1.892 1.00 0.00 H new ATOM 0 HB ILE A 110 11.414 1.165 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.999 1.964 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.580 3.482 1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.742 0.536 2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.368 0.689 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.168 1.981 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.196 3.649 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.924 3.855 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.335 2.313 -1.638 1.00 0.00 H new ATOM 1884 N ALA B 496 -4.133 -10.344 -9.552 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.384 -9.651 -9.370 1.00 0.00 C ATOM 1886 C ALA B 496 -6.083 -10.213 -8.164 1.00 0.00 C ATOM 1887 O ALA B 496 -6.343 -11.413 -8.064 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.266 -9.674 -10.598 1.00 0.00 C ATOM 0 HA ALA B 496 -5.165 -8.596 -9.205 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.191 -9.135 -10.392 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.746 -9.198 -11.429 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.499 -10.706 -10.860 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.279 -9.344 -7.207 1.00 0.00 N ATOM 1895 CA VAL B 497 -7.014 -9.691 -6.011 1.00 0.00 C ATOM 1896 C VAL B 497 -8.476 -9.498 -6.283 1.00 0.00 C ATOM 1897 O VAL B 497 -8.930 -8.403 -6.572 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.560 -8.854 -4.772 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.349 -8.039 -5.114 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.666 -7.944 -4.239 1.00 0.00 C ATOM 0 H VAL B 497 -5.938 -8.383 -7.230 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.811 -10.733 -5.763 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.317 -9.564 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -5.042 -7.460 -4.243 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.537 -8.702 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.586 -7.362 -5.934 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.295 -7.386 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.971 -7.247 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.521 -8.549 -3.938 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.235 -10.551 -6.263 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.600 -10.367 -6.634 1.00 0.00 C ATOM 1912 C ILE B 498 -11.397 -10.224 -5.375 1.00 0.00 C ATOM 1913 O ILE B 498 -12.008 -11.178 -4.887 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.224 -11.451 -7.536 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.377 -11.851 -8.764 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.576 -10.946 -8.026 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -9.045 -11.186 -8.908 1.00 0.00 C ATOM 0 H ILE B 498 -8.952 -11.497 -6.008 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.624 -9.475 -7.260 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.300 -12.348 -6.921 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.217 -12.929 -8.730 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.960 -11.643 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -13.035 -11.699 -8.667 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.224 -10.753 -7.171 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.437 -10.024 -8.591 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.551 -11.552 -9.808 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -9.183 -10.107 -8.983 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.429 -11.413 -8.038 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.368 -9.027 -4.820 1.00 0.00 N ATOM 1930 CA ILE B 499 -12.007 -8.818 -3.560 1.00 0.00 C ATOM 1931 C ILE B 499 -13.483 -8.546 -3.811 1.00 0.00 C ATOM 1932 O ILE B 499 -13.909 -7.407 -4.020 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.311 -7.698 -2.734 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -10.064 -8.234 -2.012 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.263 -7.064 -1.737 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.093 -9.717 -1.713 1.00 0.00 C ATOM 0 H ILE B 499 -10.915 -8.206 -5.222 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.917 -9.714 -2.945 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.999 -6.928 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.187 -8.018 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.942 -7.691 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.741 -6.287 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -13.107 -6.624 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.626 -7.825 -1.046 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.173 -10.003 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.947 -9.943 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.180 -10.275 -2.646 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.233 -9.650 -3.830 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.666 -9.627 -4.046 1.00 0.00 C ATOM 1950 C GLY B 500 -16.095 -8.728 -5.178 1.00 0.00 C ATOM 1951 O GLY B 500 -16.071 -9.126 -6.346 1.00 0.00 O ATOM 0 H GLY B 500 -13.853 -10.587 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -16.010 -10.641 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.157 -9.301 -3.129 1.00 0.00 H new ATOM 1955 N MET B 501 -16.497 -7.518 -4.807 1.00 0.00 N ATOM 1956 CA MET B 501 -16.935 -6.507 -5.728 1.00 0.00 C ATOM 1957 C MET B 501 -15.989 -6.359 -6.910 1.00 0.00 C ATOM 1958 O MET B 501 -16.431 -6.290 -8.060 1.00 0.00 O ATOM 1959 CB MET B 501 -17.031 -5.178 -4.988 1.00 0.00 C ATOM 1960 CG MET B 501 -17.786 -4.140 -5.762 1.00 0.00 C ATOM 1961 SD MET B 501 -17.460 -2.456 -5.206 1.00 0.00 S ATOM 1962 CE MET B 501 -15.751 -2.260 -5.716 1.00 0.00 C ATOM 0 H MET B 501 -16.524 -7.218 -3.833 1.00 0.00 H new ATOM 0 HA MET B 501 -17.907 -6.805 -6.121 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.520 -5.336 -4.027 1.00 0.00 H new ATOM 0 HB3 MET B 501 -16.027 -4.810 -4.778 1.00 0.00 H new ATOM 0 HG2 MET B 501 -17.526 -4.223 -6.817 1.00 0.00 H new ATOM 0 HG3 MET B 501 -18.854 -4.342 -5.680 1.00 0.00 H new ATOM 0 HE1 MET B 501 -15.315 -1.401 -5.205 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.189 -3.158 -5.460 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.709 -2.101 -6.794 1.00 0.00 H new ATOM 1972 N THR B 502 -14.690 -6.321 -6.646 1.00 0.00 N ATOM 1973 CA THR B 502 -13.759 -5.959 -7.697 1.00 0.00 C ATOM 1974 C THR B 502 -12.472 -6.776 -7.710 1.00 0.00 C ATOM 1975 O THR B 502 -11.926 -7.138 -6.670 1.00 0.00 O ATOM 1976 CB THR B 502 -13.468 -4.448 -7.617 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.455 -3.716 -8.351 1.00 0.00 O ATOM 1978 CG2 THR B 502 -12.108 -4.100 -8.143 1.00 0.00 C ATOM 0 H THR B 502 -14.269 -6.530 -5.741 1.00 0.00 H new ATOM 0 HA THR B 502 -14.241 -6.200 -8.644 1.00 0.00 H new ATOM 0 HB THR B 502 -13.501 -4.175 -6.562 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.255 -4.271 -8.467 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.952 -3.024 -8.065 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.348 -4.620 -7.560 1.00 0.00 H new ATOM 0 HG23 THR B 502 -12.034 -4.402 -9.188 1.00 0.00 H new ATOM 1986 N LYS B 503 -12.023 -7.080 -8.927 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.766 -7.744 -9.155 1.00 0.00 C ATOM 1988 C LYS B 503 -9.637 -6.742 -9.338 1.00 0.00 C ATOM 1989 O LYS B 503 -9.612 -6.002 -10.311 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.884 -8.659 -10.370 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.610 -8.780 -11.183 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.535 -10.084 -11.960 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.897 -10.550 -12.466 1.00 0.00 C ATOM 1994 NZ LYS B 503 -11.449 -9.648 -13.511 1.00 0.00 N ATOM 0 H LYS B 503 -12.536 -6.865 -9.782 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.526 -8.346 -8.278 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -11.184 -9.652 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.680 -8.287 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.546 -7.943 -11.878 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.750 -8.708 -10.517 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.861 -9.958 -12.808 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -9.105 -10.857 -11.323 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.807 -11.558 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.594 -10.603 -11.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -12.047 -10.196 -14.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -12.018 -8.903 -13.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -10.668 -9.213 -14.042 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.698 -6.750 -8.407 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.626 -5.791 -8.381 1.00 0.00 C ATOM 2010 C ILE B 504 -6.376 -6.327 -9.012 1.00 0.00 C ATOM 2011 O ILE B 504 -5.650 -7.100 -8.407 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.260 -5.392 -6.966 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.484 -4.928 -6.229 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.244 -4.286 -7.006 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.154 -4.177 -4.975 1.00 0.00 C ATOM 0 H ILE B 504 -8.665 -7.429 -7.647 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.999 -4.932 -8.940 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.841 -6.254 -6.448 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.078 -4.290 -6.884 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.101 -5.791 -5.979 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.980 -3.998 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.352 -4.630 -7.529 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.662 -3.426 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.076 -3.866 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.585 -4.821 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.561 -3.297 -5.223 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.072 -5.856 -10.194 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.877 -6.245 -10.893 1.00 0.00 C ATOM 2029 C PRO B 505 -3.682 -5.530 -10.283 1.00 0.00 C ATOM 2030 O PRO B 505 -3.439 -4.342 -10.536 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.185 -5.809 -12.318 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.062 -4.618 -12.164 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.845 -4.847 -10.912 1.00 0.00 C ATOM 0 HA PRO B 505 -4.622 -7.304 -10.842 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.274 -5.563 -12.863 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.686 -6.601 -12.875 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.472 -3.704 -12.094 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.723 -4.506 -13.023 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.944 -3.931 -10.330 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.854 -5.197 -11.130 1.00 0.00 H new ATOM 2041 N VAL B 506 -3.002 -6.235 -9.391 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.906 -5.655 -8.642 1.00 0.00 C ATOM 2043 C VAL B 506 -0.557 -5.873 -9.316 1.00 0.00 C ATOM 2044 O VAL B 506 -0.407 -6.680 -10.238 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.835 -6.253 -7.229 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.150 -6.095 -6.487 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.469 -7.703 -7.310 1.00 0.00 C ATOM 0 H VAL B 506 -3.194 -7.212 -9.170 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.107 -4.585 -8.597 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.070 -5.710 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.061 -6.530 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.394 -5.036 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.941 -6.605 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.420 -8.123 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.222 -8.237 -7.890 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.498 -7.807 -7.794 1.00 0.00 H new ATOM 2057 N ILE B 507 0.424 -5.156 -8.803 1.00 0.00 N ATOM 2058 CA ILE B 507 1.790 -5.215 -9.281 1.00 0.00 C ATOM 2059 C ILE B 507 2.708 -5.574 -8.125 1.00 0.00 C ATOM 2060 O ILE B 507 2.308 -5.475 -6.968 1.00 0.00 O ATOM 2061 CB ILE B 507 2.218 -3.875 -9.904 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.461 -2.849 -8.831 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.119 -3.357 -10.802 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.089 -1.572 -9.332 1.00 0.00 C ATOM 0 H ILE B 507 0.291 -4.505 -8.029 1.00 0.00 H new ATOM 0 HA ILE B 507 1.859 -5.978 -10.056 1.00 0.00 H new ATOM 0 HB ILE B 507 3.133 -4.042 -10.472 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.513 -2.611 -8.350 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.106 -3.283 -8.067 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.425 -2.408 -11.242 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.927 -4.079 -11.596 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.211 -3.210 -10.218 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.231 -0.885 -8.498 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.054 -1.795 -9.787 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.436 -1.112 -10.074 1.00 0.00 H new ATOM 2076 N GLU B 508 3.922 -5.999 -8.423 1.00 0.00 N ATOM 2077 CA GLU B 508 4.830 -6.439 -7.380 1.00 0.00 C ATOM 2078 C GLU B 508 5.860 -5.366 -7.059 1.00 0.00 C ATOM 2079 O GLU B 508 6.421 -4.723 -7.947 1.00 0.00 O ATOM 2080 CB GLU B 508 5.492 -7.759 -7.761 1.00 0.00 C ATOM 2081 CG GLU B 508 4.509 -8.910 -7.806 1.00 0.00 C ATOM 2082 CD GLU B 508 5.186 -10.257 -7.895 1.00 0.00 C ATOM 2083 OE1 GLU B 508 5.479 -10.849 -6.837 1.00 0.00 O ATOM 2084 OE2 GLU B 508 5.418 -10.732 -9.026 1.00 0.00 O ATOM 0 H GLU B 508 4.300 -6.049 -9.369 1.00 0.00 H new ATOM 0 HA GLU B 508 4.249 -6.610 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU B 508 5.969 -7.654 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.280 -7.987 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU B 508 3.883 -8.882 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.848 -8.784 -8.664 1.00 0.00 H new ATOM 2091 N ASN B 509 6.081 -5.200 -5.764 1.00 0.00 N ATOM 2092 CA ASN B 509 6.874 -4.104 -5.210 1.00 0.00 C ATOM 2093 C ASN B 509 8.357 -4.221 -5.565 1.00 0.00 C ATOM 2094 O ASN B 509 8.908 -5.326 -5.640 1.00 0.00 O ATOM 2095 CB ASN B 509 6.709 -4.105 -3.691 1.00 0.00 C ATOM 2096 CG ASN B 509 7.576 -5.146 -3.022 1.00 0.00 C ATOM 2097 OD1 ASN B 509 8.633 -4.827 -2.498 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.158 -6.401 -3.070 1.00 0.00 N ATOM 0 H ASN B 509 5.710 -5.831 -5.054 1.00 0.00 H new ATOM 0 HA ASN B 509 6.514 -3.171 -5.642 1.00 0.00 H new ATOM 0 HB2 ASN B 509 6.961 -3.119 -3.300 1.00 0.00 H new ATOM 0 HB3 ASN B 509 5.664 -4.290 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.725 -7.143 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.269 -6.626 -3.517 1.00 0.00 H new ATOM 2105 N PRO B 510 9.022 -3.072 -5.795 1.00 0.00 N ATOM 2106 CA PRO B 510 10.458 -3.016 -6.051 1.00 0.00 C ATOM 2107 C PRO B 510 11.295 -3.100 -4.774 1.00 0.00 C ATOM 2108 O PRO B 510 12.509 -3.283 -4.843 1.00 0.00 O ATOM 2109 CB PRO B 510 10.665 -1.646 -6.720 1.00 0.00 C ATOM 2110 CG PRO B 510 9.301 -1.059 -6.892 1.00 0.00 C ATOM 2111 CD PRO B 510 8.428 -1.734 -5.877 1.00 0.00 C ATOM 0 HA PRO B 510 10.778 -3.861 -6.661 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.292 -1.002 -6.103 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.167 -1.754 -7.681 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.318 0.020 -6.736 1.00 0.00 H new ATOM 0 HG3 PRO B 510 8.928 -1.229 -7.902 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.449 -1.220 -4.916 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.386 -1.770 -6.196 1.00 0.00 H new ATOM 2119 N GLN B 511 10.657 -2.976 -3.608 1.00 0.00 N ATOM 2120 CA GLN B 511 11.385 -3.014 -2.341 1.00 0.00 C ATOM 2121 C GLN B 511 11.981 -4.400 -2.130 1.00 0.00 C ATOM 2122 O GLN B 511 13.143 -4.544 -1.763 1.00 0.00 O ATOM 2123 CB GLN B 511 10.468 -2.654 -1.167 1.00 0.00 C ATOM 2124 CG GLN B 511 10.098 -1.175 -1.049 1.00 0.00 C ATOM 2125 CD GLN B 511 10.271 -0.387 -2.333 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.365 -0.321 -3.156 1.00 0.00 O ATOM 2127 NE2 GLN B 511 11.430 0.231 -2.504 1.00 0.00 N ATOM 0 H GLN B 511 9.649 -2.850 -3.516 1.00 0.00 H new ATOM 0 HA GLN B 511 12.186 -2.276 -2.384 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.549 -3.234 -1.255 1.00 0.00 H new ATOM 0 HB3 GLN B 511 10.953 -2.964 -0.242 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.060 -1.096 -0.725 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.711 -0.720 -0.271 1.00 0.00 H new ATOM 0 HE21 GLN B 511 12.160 0.152 -1.796 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.593 0.786 -3.344 1.00 0.00 H new