USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 755 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 85 TYR OH : rot -141:sc= 1.24 USER MOD Set 1.2: A 93 GLN : amide:sc= -4.76! C(o=-3.5!,f=-6.5!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 36:sc= 0.00649 USER MOD Single : A 18 MET CE :methyl 138:sc= -0.253 (180deg=-0.914) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0372) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.134) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -0.0203 (180deg=-0.25) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 171:sc= 0.917 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 37 HIS : no HE2:sc= -0.141 K(o=-0.14,f=-0.84) USER MOD Single : A 45 THR OG1 : rot -12:sc= 0.86 USER MOD Single : A 46 LYS NZ :NH3+ -169:sc=-0.00747 (180deg=-0.18) USER MOD Single : A 47 TYR OH : rot -123:sc= 2.16 USER MOD Single : A 51 TYR OH : rot -129:sc= -2.3 USER MOD Single : A 53 GLN : amide:sc= -0.0769 K(o=-0.077,f=-1.5) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 179:sc= -0.582 (180deg=-0.615) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00909 USER MOD Single : A 66 THR OG1 : rot 57:sc= 1.12 USER MOD Single : A 71 ASN : amide:sc= -0.417 K(o=-0.42,f=-1.6!) USER MOD Single : A 74 TYR OH : rot 107:sc= 1.01 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00243 USER MOD Single : A 84 TYR OH : rot -96:sc= 1.28 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 97:sc= 0.927 USER MOD Single : A 89 SER OG : rot 167:sc= 1.22 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00326 K(o=-0.0033,f=-0.89) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 75:sc= 0.66 USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 102 SER OG : rot 160:sc= 0.625 USER MOD Single : A 105 GLN : amide:sc= 0.185 K(o=0.18,f=-4.5!) USER MOD Single : A 107 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.21) USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 110 THR OG1 : rot -19:sc= 1.25 USER MOD Single : A 112 SER OG : rot 46:sc= 0.267 USER MOD ----------------------------------------------------------------- ATOM 185 N PHE A 13 -5.028 -11.429 11.590 1.00 0.00 N ATOM 186 CA PHE A 13 -5.852 -10.533 10.788 1.00 0.00 C ATOM 187 C PHE A 13 -5.664 -10.768 9.293 1.00 0.00 C ATOM 188 O PHE A 13 -4.550 -10.985 8.817 1.00 0.00 O ATOM 189 CB PHE A 13 -5.529 -9.082 11.138 1.00 0.00 C ATOM 190 CG PHE A 13 -5.674 -8.786 12.601 1.00 0.00 C ATOM 191 CD1 PHE A 13 -6.926 -8.574 13.155 1.00 0.00 C ATOM 192 CD2 PHE A 13 -4.560 -8.732 13.425 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.064 -8.312 14.503 1.00 0.00 C ATOM 194 CE2 PHE A 13 -4.692 -8.468 14.773 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.945 -8.258 15.313 1.00 0.00 C ATOM 0 HA PHE A 13 -6.896 -10.743 11.021 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.509 -8.857 10.827 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.187 -8.422 10.572 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.803 -8.614 12.526 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.578 -8.898 13.007 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.045 -8.149 14.925 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.817 -8.426 15.404 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.051 -8.052 16.368 1.00 0.00 H new ATOM 205 N SER A 14 -6.770 -10.724 8.562 1.00 0.00 N ATOM 206 CA SER A 14 -6.747 -10.895 7.121 1.00 0.00 C ATOM 207 C SER A 14 -6.952 -9.557 6.424 1.00 0.00 C ATOM 208 O SER A 14 -7.975 -8.891 6.610 1.00 0.00 O ATOM 209 CB SER A 14 -7.829 -11.887 6.688 1.00 0.00 C ATOM 210 OG SER A 14 -7.647 -13.142 7.320 1.00 0.00 O ATOM 0 H SER A 14 -7.700 -10.570 8.951 1.00 0.00 H new ATOM 0 HA SER A 14 -5.773 -11.291 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.813 -11.489 6.937 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.800 -12.013 5.606 1.00 0.00 H new ATOM 0 HG SER A 14 -8.351 -13.759 7.030 1.00 0.00 H new ATOM 216 N ILE A 15 -5.972 -9.160 5.631 1.00 0.00 N ATOM 217 CA ILE A 15 -6.031 -7.899 4.917 1.00 0.00 C ATOM 218 C ILE A 15 -6.279 -8.143 3.434 1.00 0.00 C ATOM 219 O ILE A 15 -5.522 -8.859 2.778 1.00 0.00 O ATOM 220 CB ILE A 15 -4.731 -7.087 5.105 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.464 -6.870 6.599 1.00 0.00 C ATOM 222 CG2 ILE A 15 -4.827 -5.753 4.379 1.00 0.00 C ATOM 223 CD1 ILE A 15 -3.195 -6.102 6.889 1.00 0.00 C ATOM 0 H ILE A 15 -5.121 -9.698 5.466 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.857 -7.320 5.330 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.899 -7.647 4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.308 -6.336 7.035 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.411 -7.840 7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.902 -5.194 4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.984 -5.928 3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.663 -5.180 4.780 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.076 -5.989 7.967 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.341 -6.645 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.252 -5.117 6.425 1.00 0.00 H new ATOM 235 N GLU A 16 -7.347 -7.561 2.914 1.00 0.00 N ATOM 236 CA GLU A 16 -7.702 -7.745 1.518 1.00 0.00 C ATOM 237 C GLU A 16 -7.426 -6.472 0.737 1.00 0.00 C ATOM 238 O GLU A 16 -7.619 -5.365 1.244 1.00 0.00 O ATOM 239 CB GLU A 16 -9.177 -8.137 1.382 1.00 0.00 C ATOM 240 CG GLU A 16 -9.566 -8.565 -0.024 1.00 0.00 C ATOM 241 CD GLU A 16 -8.841 -9.821 -0.462 1.00 0.00 C ATOM 242 OE1 GLU A 16 -7.722 -9.714 -1.008 1.00 0.00 O ATOM 243 OE2 GLU A 16 -9.381 -10.927 -0.245 1.00 0.00 O ATOM 0 H GLU A 16 -7.982 -6.958 3.437 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.092 -8.551 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.393 -8.951 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.798 -7.292 1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.642 -8.736 -0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.344 -7.758 -0.722 1.00 0.00 H new ATOM 250 N THR A 17 -6.959 -6.641 -0.484 1.00 0.00 N ATOM 251 CA THR A 17 -6.674 -5.523 -1.359 1.00 0.00 C ATOM 252 C THR A 17 -7.474 -5.650 -2.648 1.00 0.00 C ATOM 253 O THR A 17 -7.510 -6.719 -3.265 1.00 0.00 O ATOM 254 CB THR A 17 -5.170 -5.448 -1.685 1.00 0.00 C ATOM 255 OG1 THR A 17 -4.684 -6.749 -2.049 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.380 -4.919 -0.497 1.00 0.00 C ATOM 0 H THR A 17 -6.767 -7.554 -0.896 1.00 0.00 H new ATOM 0 HA THR A 17 -6.962 -4.607 -0.843 1.00 0.00 H new ATOM 0 HB THR A 17 -5.036 -4.761 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.373 -7.225 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.322 -4.876 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.732 -3.920 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.520 -5.582 0.357 1.00 0.00 H new ATOM 264 N MET A 18 -8.141 -4.574 -3.039 1.00 0.00 N ATOM 265 CA MET A 18 -8.900 -4.574 -4.278 1.00 0.00 C ATOM 266 C MET A 18 -7.954 -4.626 -5.470 1.00 0.00 C ATOM 267 O MET A 18 -6.956 -3.904 -5.500 1.00 0.00 O ATOM 268 CB MET A 18 -9.805 -3.343 -4.377 1.00 0.00 C ATOM 269 CG MET A 18 -10.904 -3.305 -3.330 1.00 0.00 C ATOM 270 SD MET A 18 -12.098 -1.986 -3.625 1.00 0.00 S ATOM 271 CE MET A 18 -12.790 -2.495 -5.199 1.00 0.00 C ATOM 0 H MET A 18 -8.172 -3.697 -2.520 1.00 0.00 H new ATOM 0 HA MET A 18 -9.536 -5.460 -4.284 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.194 -2.446 -4.282 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.259 -3.316 -5.368 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.423 -4.264 -3.318 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.457 -3.172 -2.345 1.00 0.00 H new ATOM 0 HE1 MET A 18 -13.870 -2.350 -5.186 1.00 0.00 H new ATOM 0 HE2 MET A 18 -12.353 -1.897 -5.999 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.568 -3.548 -5.371 1.00 0.00 H new ATOM 281 N PRO A 19 -8.256 -5.502 -6.447 1.00 0.00 N ATOM 282 CA PRO A 19 -7.440 -5.691 -7.651 1.00 0.00 C ATOM 283 C PRO A 19 -6.970 -4.378 -8.267 1.00 0.00 C ATOM 284 O PRO A 19 -7.771 -3.484 -8.552 1.00 0.00 O ATOM 285 CB PRO A 19 -8.390 -6.417 -8.600 1.00 0.00 C ATOM 286 CG PRO A 19 -9.273 -7.206 -7.701 1.00 0.00 C ATOM 287 CD PRO A 19 -9.430 -6.393 -6.443 1.00 0.00 C ATOM 0 HA PRO A 19 -6.520 -6.235 -7.435 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.963 -5.714 -9.204 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.847 -7.062 -9.291 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.240 -7.389 -8.169 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.835 -8.180 -7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.361 -5.827 -6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.447 -7.028 -5.557 1.00 0.00 H new ATOM 295 N VAL A 20 -5.666 -4.273 -8.456 1.00 0.00 N ATOM 296 CA VAL A 20 -5.060 -3.068 -8.994 1.00 0.00 C ATOM 297 C VAL A 20 -5.064 -3.091 -10.522 1.00 0.00 C ATOM 298 O VAL A 20 -5.305 -4.135 -11.131 1.00 0.00 O ATOM 299 CB VAL A 20 -3.614 -2.899 -8.480 1.00 0.00 C ATOM 300 CG1 VAL A 20 -3.605 -2.634 -6.982 1.00 0.00 C ATOM 301 CG2 VAL A 20 -2.777 -4.130 -8.810 1.00 0.00 C ATOM 0 H VAL A 20 -5.001 -5.016 -8.242 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.655 -2.221 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.172 -2.039 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.577 -2.518 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.163 -1.722 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.068 -3.472 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.762 -3.990 -8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.218 -5.007 -8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.752 -4.274 -9.890 1.00 0.00 H new ATOM 311 N PRO A 21 -4.836 -1.931 -11.158 1.00 0.00 N ATOM 312 CA PRO A 21 -4.718 -1.836 -12.617 1.00 0.00 C ATOM 313 C PRO A 21 -3.594 -2.717 -13.159 1.00 0.00 C ATOM 314 O PRO A 21 -2.573 -2.916 -12.497 1.00 0.00 O ATOM 315 CB PRO A 21 -4.406 -0.357 -12.862 1.00 0.00 C ATOM 316 CG PRO A 21 -4.908 0.343 -11.648 1.00 0.00 C ATOM 317 CD PRO A 21 -4.701 -0.615 -10.512 1.00 0.00 C ATOM 0 HA PRO A 21 -5.622 -2.177 -13.122 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.337 -0.195 -12.998 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.901 0.008 -13.762 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.365 1.273 -11.480 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.961 0.603 -11.754 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.721 -0.490 -10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.442 -0.474 -9.725 1.00 0.00 H new ATOM 325 N LYS A 22 -3.783 -3.226 -14.368 1.00 0.00 N ATOM 326 CA LYS A 22 -2.838 -4.155 -14.967 1.00 0.00 C ATOM 327 C LYS A 22 -1.678 -3.382 -15.578 1.00 0.00 C ATOM 328 O LYS A 22 -0.510 -3.739 -15.406 1.00 0.00 O ATOM 329 CB LYS A 22 -3.535 -4.993 -16.044 1.00 0.00 C ATOM 330 CG LYS A 22 -4.942 -5.431 -15.660 1.00 0.00 C ATOM 331 CD LYS A 22 -4.949 -6.285 -14.400 1.00 0.00 C ATOM 332 CE LYS A 22 -6.352 -6.411 -13.824 1.00 0.00 C ATOM 333 NZ LYS A 22 -7.301 -7.030 -14.788 1.00 0.00 N ATOM 0 H LYS A 22 -4.588 -3.009 -14.956 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.456 -4.823 -14.195 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.582 -4.416 -16.967 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.932 -5.877 -16.251 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.566 -4.551 -15.505 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.384 -5.994 -16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.557 -7.276 -14.628 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.286 -5.844 -13.656 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.317 -7.011 -12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.717 -5.424 -13.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.211 -7.205 -14.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.446 -6.388 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.910 -7.931 -15.130 1.00 0.00 H new ATOM 347 N LYS A 23 -2.014 -2.318 -16.293 1.00 0.00 N ATOM 348 CA LYS A 23 -1.018 -1.439 -16.884 1.00 0.00 C ATOM 349 C LYS A 23 -1.262 -0.009 -16.432 1.00 0.00 C ATOM 350 O LYS A 23 -2.402 0.457 -16.392 1.00 0.00 O ATOM 351 CB LYS A 23 -1.049 -1.510 -18.414 1.00 0.00 C ATOM 352 CG LYS A 23 -0.673 -2.868 -18.986 1.00 0.00 C ATOM 353 CD LYS A 23 -0.472 -2.797 -20.490 1.00 0.00 C ATOM 354 CE LYS A 23 -0.171 -4.162 -21.082 1.00 0.00 C ATOM 355 NZ LYS A 23 -1.342 -5.072 -20.994 1.00 0.00 N ATOM 0 H LYS A 23 -2.978 -2.042 -16.478 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.034 -1.769 -16.549 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.050 -1.249 -18.758 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.368 -0.759 -18.815 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.241 -3.224 -18.511 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.455 -3.591 -18.755 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.367 -2.387 -20.958 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.347 -2.114 -20.716 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.124 -4.049 -22.125 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.675 -4.607 -20.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.173 -5.913 -21.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.483 -5.362 -20.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.192 -4.578 -21.334 1.00 0.00 H new ATOM 369 N LEU A 24 -0.190 0.681 -16.089 1.00 0.00 N ATOM 370 CA LEU A 24 -0.284 2.056 -15.635 1.00 0.00 C ATOM 371 C LEU A 24 0.490 2.982 -16.559 1.00 0.00 C ATOM 372 O LEU A 24 1.710 2.881 -16.680 1.00 0.00 O ATOM 373 CB LEU A 24 0.239 2.180 -14.204 1.00 0.00 C ATOM 374 CG LEU A 24 -0.680 1.616 -13.124 1.00 0.00 C ATOM 375 CD1 LEU A 24 0.006 1.674 -11.770 1.00 0.00 C ATOM 376 CD2 LEU A 24 -1.989 2.392 -13.091 1.00 0.00 C ATOM 0 H LEU A 24 0.760 0.310 -16.116 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.333 2.351 -15.653 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.201 1.672 -14.141 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.420 3.233 -13.991 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.900 0.574 -13.357 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.659 1.269 -11.007 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.923 1.086 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.247 2.709 -11.528 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.636 1.981 -12.317 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.785 3.441 -12.874 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.484 2.311 -14.059 1.00 0.00 H new ATOM 388 N LYS A 25 -0.233 3.871 -17.220 1.00 0.00 N ATOM 389 CA LYS A 25 0.384 4.873 -18.075 1.00 0.00 C ATOM 390 C LYS A 25 0.961 5.986 -17.217 1.00 0.00 C ATOM 391 O LYS A 25 0.492 6.219 -16.103 1.00 0.00 O ATOM 392 CB LYS A 25 -0.642 5.444 -19.058 1.00 0.00 C ATOM 393 CG LYS A 25 -1.153 4.430 -20.066 1.00 0.00 C ATOM 394 CD LYS A 25 -2.199 5.041 -20.983 1.00 0.00 C ATOM 395 CE LYS A 25 -2.600 4.088 -22.099 1.00 0.00 C ATOM 396 NZ LYS A 25 -1.467 3.812 -23.023 1.00 0.00 N ATOM 0 H LYS A 25 -1.251 3.920 -17.181 1.00 0.00 H new ATOM 0 HA LYS A 25 1.185 4.406 -18.648 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.487 5.842 -18.497 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.192 6.280 -19.593 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.320 4.054 -20.661 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.581 3.576 -19.541 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.080 5.310 -20.401 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.809 5.963 -21.415 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.954 3.152 -21.668 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.431 4.515 -22.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.832 3.408 -23.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.963 4.698 -23.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.813 3.137 -22.578 1.00 0.00 H new ATOM 410 N VAL A 26 1.983 6.657 -17.725 1.00 0.00 N ATOM 411 CA VAL A 26 2.615 7.741 -16.986 1.00 0.00 C ATOM 412 C VAL A 26 1.636 8.894 -16.799 1.00 0.00 C ATOM 413 O VAL A 26 1.221 9.533 -17.769 1.00 0.00 O ATOM 414 CB VAL A 26 3.887 8.258 -17.698 1.00 0.00 C ATOM 415 CG1 VAL A 26 4.565 9.342 -16.873 1.00 0.00 C ATOM 416 CG2 VAL A 26 4.852 7.115 -17.978 1.00 0.00 C ATOM 0 H VAL A 26 2.392 6.472 -18.641 1.00 0.00 H new ATOM 0 HA VAL A 26 2.907 7.343 -16.014 1.00 0.00 H new ATOM 0 HB VAL A 26 3.587 8.692 -18.652 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.457 9.691 -17.393 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.877 10.176 -16.733 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.847 8.937 -15.901 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.739 7.502 -18.479 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.142 6.645 -17.038 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.367 6.378 -18.618 1.00 0.00 H new ATOM 426 N GLY A 27 1.264 9.145 -15.551 1.00 0.00 N ATOM 427 CA GLY A 27 0.310 10.197 -15.257 1.00 0.00 C ATOM 428 C GLY A 27 -0.992 9.662 -14.686 1.00 0.00 C ATOM 429 O GLY A 27 -1.933 10.422 -14.451 1.00 0.00 O ATOM 0 H GLY A 27 1.607 8.638 -14.735 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.753 10.896 -14.548 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.100 10.757 -16.168 1.00 0.00 H new ATOM 433 N GLU A 28 -1.058 8.356 -14.468 1.00 0.00 N ATOM 434 CA GLU A 28 -2.229 7.742 -13.853 1.00 0.00 C ATOM 435 C GLU A 28 -2.066 7.678 -12.339 1.00 0.00 C ATOM 436 O GLU A 28 -0.950 7.570 -11.828 1.00 0.00 O ATOM 437 CB GLU A 28 -2.459 6.330 -14.401 1.00 0.00 C ATOM 438 CG GLU A 28 -2.922 6.292 -15.848 1.00 0.00 C ATOM 439 CD GLU A 28 -4.253 6.986 -16.051 1.00 0.00 C ATOM 440 OE1 GLU A 28 -5.263 6.537 -15.472 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.299 7.985 -16.800 1.00 0.00 O ATOM 0 H GLU A 28 -0.315 7.700 -14.708 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.094 8.359 -14.096 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.533 5.763 -14.313 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.201 5.828 -13.780 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.170 6.765 -16.479 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.004 5.255 -16.173 1.00 0.00 H new ATOM 448 N THR A 29 -3.176 7.760 -11.625 1.00 0.00 N ATOM 449 CA THR A 29 -3.170 7.605 -10.185 1.00 0.00 C ATOM 450 C THR A 29 -4.054 6.429 -9.781 1.00 0.00 C ATOM 451 O THR A 29 -5.283 6.497 -9.862 1.00 0.00 O ATOM 452 CB THR A 29 -3.650 8.886 -9.481 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.900 10.013 -9.962 1.00 0.00 O ATOM 454 CG2 THR A 29 -3.478 8.773 -7.973 1.00 0.00 C ATOM 0 H THR A 29 -4.098 7.934 -12.025 1.00 0.00 H new ATOM 0 HA THR A 29 -2.144 7.411 -9.873 1.00 0.00 H new ATOM 0 HB THR A 29 -4.708 9.023 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.209 10.827 -9.513 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.824 9.691 -7.498 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.061 7.930 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.425 8.617 -7.738 1.00 0.00 H new ATOM 462 N ALA A 30 -3.422 5.345 -9.362 1.00 0.00 N ATOM 463 CA ALA A 30 -4.139 4.140 -8.989 1.00 0.00 C ATOM 464 C ALA A 30 -4.558 4.186 -7.530 1.00 0.00 C ATOM 465 O ALA A 30 -3.728 4.415 -6.645 1.00 0.00 O ATOM 466 CB ALA A 30 -3.281 2.912 -9.254 1.00 0.00 C ATOM 0 H ALA A 30 -2.408 5.276 -9.272 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.040 4.078 -9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.831 2.015 -8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.032 2.864 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.364 2.976 -8.668 1.00 0.00 H new ATOM 472 N GLU A 31 -5.845 3.987 -7.280 1.00 0.00 N ATOM 473 CA GLU A 31 -6.349 3.915 -5.920 1.00 0.00 C ATOM 474 C GLU A 31 -6.265 2.489 -5.402 1.00 0.00 C ATOM 475 O GLU A 31 -7.102 1.644 -5.726 1.00 0.00 O ATOM 476 CB GLU A 31 -7.797 4.412 -5.829 1.00 0.00 C ATOM 477 CG GLU A 31 -7.957 5.896 -6.104 1.00 0.00 C ATOM 478 CD GLU A 31 -9.345 6.403 -5.766 1.00 0.00 C ATOM 479 OE1 GLU A 31 -9.626 6.623 -4.563 1.00 0.00 O ATOM 480 OE2 GLU A 31 -10.152 6.598 -6.694 1.00 0.00 O ATOM 0 H GLU A 31 -6.557 3.873 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.727 4.564 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.408 3.853 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.184 4.193 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.220 6.451 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.748 6.092 -7.156 1.00 0.00 H new ATOM 487 N ILE A 32 -5.243 2.222 -4.611 1.00 0.00 N ATOM 488 CA ILE A 32 -5.098 0.930 -3.977 1.00 0.00 C ATOM 489 C ILE A 32 -5.991 0.881 -2.749 1.00 0.00 C ATOM 490 O ILE A 32 -5.661 1.441 -1.702 1.00 0.00 O ATOM 491 CB ILE A 32 -3.636 0.647 -3.566 1.00 0.00 C ATOM 492 CG1 ILE A 32 -2.700 0.813 -4.771 1.00 0.00 C ATOM 493 CG2 ILE A 32 -3.512 -0.755 -2.982 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.234 0.638 -4.433 1.00 0.00 C ATOM 0 H ILE A 32 -4.500 2.886 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.390 0.164 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.344 1.367 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.976 0.088 -5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.849 1.803 -5.201 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.476 -0.940 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.151 -0.841 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.820 -1.488 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.635 0.770 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.941 1.380 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.070 -0.362 -4.031 1.00 0.00 H new ATOM 506 N ARG A 33 -7.142 0.256 -2.895 1.00 0.00 N ATOM 507 CA ARG A 33 -8.091 0.161 -1.802 1.00 0.00 C ATOM 508 C ARG A 33 -7.806 -1.066 -0.956 1.00 0.00 C ATOM 509 O ARG A 33 -7.908 -2.203 -1.423 1.00 0.00 O ATOM 510 CB ARG A 33 -9.520 0.149 -2.341 1.00 0.00 C ATOM 511 CG ARG A 33 -9.969 1.516 -2.838 1.00 0.00 C ATOM 512 CD ARG A 33 -11.331 1.466 -3.509 1.00 0.00 C ATOM 513 NE ARG A 33 -11.255 0.938 -4.870 1.00 0.00 N ATOM 514 CZ ARG A 33 -11.519 1.663 -5.957 1.00 0.00 C ATOM 515 NH1 ARG A 33 -11.853 2.941 -5.838 1.00 0.00 N ATOM 516 NH2 ARG A 33 -11.446 1.116 -7.165 1.00 0.00 N ATOM 0 H ARG A 33 -7.444 -0.194 -3.759 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.982 1.037 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.591 -0.571 -3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.197 -0.189 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.005 2.211 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.233 1.904 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.004 0.845 -2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.760 2.468 -3.533 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.985 -0.038 -4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.908 3.370 -4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.055 3.495 -6.670 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.186 0.135 -7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.649 1.677 -7.992 1.00 0.00 H new ATOM 530 N CYS A 34 -7.436 -0.819 0.288 1.00 0.00 N ATOM 531 CA CYS A 34 -7.008 -1.872 1.187 1.00 0.00 C ATOM 532 C CYS A 34 -7.828 -1.843 2.467 1.00 0.00 C ATOM 533 O CYS A 34 -8.060 -0.778 3.043 1.00 0.00 O ATOM 534 CB CYS A 34 -5.521 -1.698 1.503 1.00 0.00 C ATOM 535 SG CYS A 34 -4.853 -2.907 2.669 1.00 0.00 S ATOM 0 H CYS A 34 -7.424 0.114 0.701 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.162 -2.838 0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.956 -1.759 0.573 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.363 -0.698 1.907 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.560 -2.788 2.724 1.00 0.00 H new ATOM 541 N GLN A 35 -8.273 -3.009 2.903 1.00 0.00 N ATOM 542 CA GLN A 35 -9.054 -3.108 4.122 1.00 0.00 C ATOM 543 C GLN A 35 -8.626 -4.310 4.949 1.00 0.00 C ATOM 544 O GLN A 35 -8.669 -5.455 4.483 1.00 0.00 O ATOM 545 CB GLN A 35 -10.550 -3.206 3.806 1.00 0.00 C ATOM 546 CG GLN A 35 -11.409 -3.495 5.031 1.00 0.00 C ATOM 547 CD GLN A 35 -12.894 -3.526 4.725 1.00 0.00 C ATOM 548 OE1 GLN A 35 -13.308 -3.850 3.613 1.00 0.00 O ATOM 549 NE2 GLN A 35 -13.708 -3.200 5.716 1.00 0.00 N ATOM 0 H GLN A 35 -8.107 -3.898 2.432 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.873 -2.202 4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.880 -2.272 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -10.707 -3.992 3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.112 -4.453 5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.217 -2.736 5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.326 -2.937 6.624 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.718 -3.212 5.572 1.00 0.00 H new ATOM 558 N LEU A 36 -8.200 -4.044 6.170 1.00 0.00 N ATOM 559 CA LEU A 36 -8.000 -5.096 7.142 1.00 0.00 C ATOM 560 C LEU A 36 -9.371 -5.525 7.639 1.00 0.00 C ATOM 561 O LEU A 36 -10.081 -4.745 8.273 1.00 0.00 O ATOM 562 CB LEU A 36 -7.107 -4.602 8.292 1.00 0.00 C ATOM 563 CG LEU A 36 -6.758 -5.638 9.367 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.377 -5.347 9.934 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.795 -5.630 10.486 1.00 0.00 C ATOM 0 H LEU A 36 -7.986 -3.106 6.510 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.489 -5.948 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.178 -4.223 7.866 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.603 -3.760 8.775 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.759 -6.627 8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.134 -6.086 10.697 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.638 -5.395 9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.368 -4.351 10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.526 -6.373 11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.825 -4.643 10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.776 -5.868 10.075 1.00 0.00 H new ATOM 577 N HIS A 37 -9.764 -6.743 7.313 1.00 0.00 N ATOM 578 CA HIS A 37 -11.119 -7.186 7.598 1.00 0.00 C ATOM 579 C HIS A 37 -11.250 -7.666 9.034 1.00 0.00 C ATOM 580 O HIS A 37 -10.851 -8.778 9.377 1.00 0.00 O ATOM 581 CB HIS A 37 -11.566 -8.272 6.613 1.00 0.00 C ATOM 582 CG HIS A 37 -11.893 -7.741 5.247 1.00 0.00 C ATOM 583 ND1 HIS A 37 -13.175 -7.439 4.841 1.00 0.00 N ATOM 584 CD2 HIS A 37 -11.093 -7.446 4.194 1.00 0.00 C ATOM 585 CE1 HIS A 37 -13.151 -6.994 3.600 1.00 0.00 C ATOM 586 NE2 HIS A 37 -11.902 -6.982 3.182 1.00 0.00 N ATOM 0 H HIS A 37 -9.173 -7.437 6.856 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.780 -6.328 7.471 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.777 -9.019 6.525 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.442 -8.780 7.017 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -14.013 -7.544 5.413 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -10.019 -7.555 4.156 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.012 -6.690 3.023 1.00 0.00 H new ATOM 595 N ARG A 38 -11.792 -6.792 9.865 1.00 0.00 N ATOM 596 CA ARG A 38 -12.064 -7.094 11.258 1.00 0.00 C ATOM 597 C ARG A 38 -13.527 -6.775 11.555 1.00 0.00 C ATOM 598 O ARG A 38 -14.105 -5.891 10.920 1.00 0.00 O ATOM 599 CB ARG A 38 -11.155 -6.250 12.156 1.00 0.00 C ATOM 600 CG ARG A 38 -11.353 -6.504 13.640 1.00 0.00 C ATOM 601 CD ARG A 38 -10.868 -5.332 14.477 1.00 0.00 C ATOM 602 NE ARG A 38 -9.420 -5.152 14.429 1.00 0.00 N ATOM 603 CZ ARG A 38 -8.609 -5.387 15.460 1.00 0.00 C ATOM 604 NH1 ARG A 38 -9.080 -5.936 16.575 1.00 0.00 N ATOM 605 NH2 ARG A 38 -7.327 -5.070 15.373 1.00 0.00 N ATOM 0 H ARG A 38 -12.057 -5.847 9.589 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.871 -8.149 11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.116 -6.452 11.898 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.335 -5.195 11.950 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.409 -6.683 13.841 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.815 -7.407 13.930 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.353 -4.420 14.129 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.175 -5.481 15.512 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.005 -4.828 13.556 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.068 -6.180 16.645 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.454 -6.113 17.360 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.963 -4.647 14.519 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.703 -5.248 16.160 1.00 0.00 H new ATOM 712 N THR A 45 -4.576 -2.883 19.448 1.00 0.00 N ATOM 713 CA THR A 45 -3.998 -3.262 18.172 1.00 0.00 C ATOM 714 C THR A 45 -3.791 -2.056 17.262 1.00 0.00 C ATOM 715 O THR A 45 -4.745 -1.478 16.742 1.00 0.00 O ATOM 716 CB THR A 45 -4.863 -4.318 17.467 1.00 0.00 C ATOM 717 OG1 THR A 45 -6.242 -4.143 17.825 1.00 0.00 O ATOM 718 CG2 THR A 45 -4.409 -5.720 17.838 1.00 0.00 C ATOM 0 HA THR A 45 -3.019 -3.694 18.381 1.00 0.00 H new ATOM 0 HB THR A 45 -4.751 -4.190 16.390 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.307 -3.526 18.584 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.035 -6.452 17.328 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.371 -5.858 17.537 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.495 -5.857 18.916 1.00 0.00 H new ATOM 726 N LYS A 46 -2.534 -1.673 17.099 1.00 0.00 N ATOM 727 CA LYS A 46 -2.172 -0.570 16.229 1.00 0.00 C ATOM 728 C LYS A 46 -1.509 -1.113 14.979 1.00 0.00 C ATOM 729 O LYS A 46 -0.700 -2.036 15.050 1.00 0.00 O ATOM 730 CB LYS A 46 -1.228 0.393 16.947 1.00 0.00 C ATOM 731 CG LYS A 46 -1.804 0.957 18.233 1.00 0.00 C ATOM 732 CD LYS A 46 -0.822 1.891 18.919 1.00 0.00 C ATOM 733 CE LYS A 46 -1.364 2.382 20.249 1.00 0.00 C ATOM 734 NZ LYS A 46 -2.643 3.119 20.092 1.00 0.00 N ATOM 0 H LYS A 46 -1.742 -2.116 17.564 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.074 -0.023 15.955 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.295 -0.125 17.172 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.982 1.216 16.276 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.727 1.494 18.015 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.062 0.140 18.907 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.124 1.374 19.078 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.615 2.743 18.272 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.515 1.532 20.915 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.628 3.031 20.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.882 3.594 20.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.544 3.829 19.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.400 2.451 19.841 1.00 0.00 H new ATOM 748 N TYR A 47 -1.855 -0.547 13.841 1.00 0.00 N ATOM 749 CA TYR A 47 -1.350 -1.037 12.574 1.00 0.00 C ATOM 750 C TYR A 47 -0.180 -0.180 12.098 1.00 0.00 C ATOM 751 O TYR A 47 -0.099 1.007 12.412 1.00 0.00 O ATOM 752 CB TYR A 47 -2.463 -1.032 11.527 1.00 0.00 C ATOM 753 CG TYR A 47 -3.762 -1.640 12.011 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.842 -2.982 12.360 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.915 -0.867 12.119 1.00 0.00 C ATOM 756 CE1 TYR A 47 -5.029 -3.536 12.801 1.00 0.00 C ATOM 757 CE2 TYR A 47 -6.104 -1.416 12.559 1.00 0.00 C ATOM 758 CZ TYR A 47 -6.155 -2.750 12.896 1.00 0.00 C ATOM 759 OH TYR A 47 -7.336 -3.302 13.332 1.00 0.00 O ATOM 0 H TYR A 47 -2.484 0.253 13.767 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.999 -2.059 12.713 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.649 -0.005 11.213 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.123 -1.578 10.647 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.962 -3.603 12.286 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.879 0.179 11.854 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.073 -4.581 13.070 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.989 -0.802 12.638 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.032 -3.162 12.656 1.00 0.00 H new ATOM 769 N PHE A 48 0.728 -0.794 11.353 1.00 0.00 N ATOM 770 CA PHE A 48 1.889 -0.101 10.809 1.00 0.00 C ATOM 771 C PHE A 48 2.050 -0.444 9.331 1.00 0.00 C ATOM 772 O PHE A 48 1.606 -1.501 8.883 1.00 0.00 O ATOM 773 CB PHE A 48 3.159 -0.486 11.576 1.00 0.00 C ATOM 774 CG PHE A 48 3.104 -0.164 13.043 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.334 1.128 13.488 1.00 0.00 C ATOM 776 CD2 PHE A 48 2.820 -1.151 13.973 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.282 1.430 14.835 1.00 0.00 C ATOM 778 CE2 PHE A 48 2.767 -0.856 15.321 1.00 0.00 C ATOM 779 CZ PHE A 48 2.997 0.436 15.753 1.00 0.00 C ATOM 0 H PHE A 48 0.682 -1.783 11.109 1.00 0.00 H new ATOM 0 HA PHE A 48 1.734 0.973 10.916 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.335 -1.555 11.455 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.010 0.030 11.132 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.556 1.907 12.774 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.638 -2.162 13.640 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.464 2.440 15.170 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.546 -1.634 16.037 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.954 0.669 16.807 1.00 0.00 H new ATOM 789 N ILE A 49 2.681 0.446 8.579 1.00 0.00 N ATOM 790 CA ILE A 49 2.841 0.253 7.148 1.00 0.00 C ATOM 791 C ILE A 49 4.218 0.733 6.679 1.00 0.00 C ATOM 792 O ILE A 49 4.745 1.735 7.174 1.00 0.00 O ATOM 793 CB ILE A 49 1.723 0.992 6.369 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.771 0.649 4.878 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.827 2.500 6.572 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.645 1.273 4.083 1.00 0.00 C ATOM 0 H ILE A 49 3.090 1.309 8.938 1.00 0.00 H new ATOM 0 HA ILE A 49 2.763 -0.815 6.944 1.00 0.00 H new ATOM 0 HB ILE A 49 0.764 0.656 6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.724 0.981 4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.733 -0.434 4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.032 2.998 6.016 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.728 2.732 7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.795 2.850 6.213 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.739 0.990 3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.312 0.921 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.695 2.358 4.171 1.00 0.00 H new ATOM 808 N ARG A 50 4.802 -0.009 5.748 1.00 0.00 N ATOM 809 CA ARG A 50 6.084 0.350 5.151 1.00 0.00 C ATOM 810 C ARG A 50 6.155 -0.244 3.747 1.00 0.00 C ATOM 811 O ARG A 50 5.331 -1.088 3.391 1.00 0.00 O ATOM 812 CB ARG A 50 7.249 -0.161 6.013 1.00 0.00 C ATOM 813 CG ARG A 50 8.577 0.526 5.722 1.00 0.00 C ATOM 814 CD ARG A 50 9.681 0.037 6.649 1.00 0.00 C ATOM 815 NE ARG A 50 10.053 -1.352 6.385 1.00 0.00 N ATOM 816 CZ ARG A 50 10.571 -2.173 7.299 1.00 0.00 C ATOM 817 NH1 ARG A 50 10.764 -1.758 8.546 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.904 -3.413 6.961 1.00 0.00 N ATOM 0 H ARG A 50 4.403 -0.875 5.385 1.00 0.00 H new ATOM 0 HA ARG A 50 6.167 1.435 5.095 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.000 -0.019 7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.363 -1.233 5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.863 0.341 4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.460 1.604 5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.558 0.674 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.352 0.132 7.684 1.00 0.00 H new ATOM 0 HE ARG A 50 9.907 -1.716 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.515 -0.805 8.811 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.161 -2.393 9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.763 -3.736 6.004 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.300 -4.043 7.659 1.00 0.00 H new ATOM 832 N TYR A 51 7.115 0.195 2.946 1.00 0.00 N ATOM 833 CA TYR A 51 7.223 -0.270 1.569 1.00 0.00 C ATOM 834 C TYR A 51 8.656 -0.582 1.188 1.00 0.00 C ATOM 835 O TYR A 51 9.592 -0.222 1.901 1.00 0.00 O ATOM 836 CB TYR A 51 6.669 0.775 0.604 1.00 0.00 C ATOM 837 CG TYR A 51 5.175 0.933 0.681 1.00 0.00 C ATOM 838 CD1 TYR A 51 4.597 1.829 1.565 1.00 0.00 C ATOM 839 CD2 TYR A 51 4.344 0.176 -0.129 1.00 0.00 C ATOM 840 CE1 TYR A 51 3.228 1.970 1.637 1.00 0.00 C ATOM 841 CE2 TYR A 51 2.975 0.313 -0.064 1.00 0.00 C ATOM 842 CZ TYR A 51 2.422 1.208 0.822 1.00 0.00 C ATOM 843 OH TYR A 51 1.056 1.349 0.886 1.00 0.00 O ATOM 0 H TYR A 51 7.828 0.870 3.223 1.00 0.00 H new ATOM 0 HA TYR A 51 6.638 -1.187 1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.139 1.736 0.813 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.945 0.500 -0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.228 2.426 2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.776 -0.532 -0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.790 2.674 2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.339 -0.279 -0.705 1.00 0.00 H new ATOM 0 HH TYR A 51 0.641 0.468 0.993 1.00 0.00 H new ATOM 853 N PHE A 52 8.807 -1.271 0.064 1.00 0.00 N ATOM 854 CA PHE A 52 10.107 -1.514 -0.535 1.00 0.00 C ATOM 855 C PHE A 52 9.942 -1.820 -2.020 1.00 0.00 C ATOM 856 O PHE A 52 9.328 -2.820 -2.396 1.00 0.00 O ATOM 857 CB PHE A 52 10.829 -2.668 0.172 1.00 0.00 C ATOM 858 CG PHE A 52 12.210 -2.934 -0.364 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.269 -2.103 -0.031 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.448 -4.016 -1.198 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.540 -2.345 -0.521 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.716 -4.263 -1.691 1.00 0.00 C ATOM 863 CZ PHE A 52 14.763 -3.426 -1.351 1.00 0.00 C ATOM 0 H PHE A 52 8.029 -1.676 -0.456 1.00 0.00 H new ATOM 0 HA PHE A 52 10.716 -0.617 -0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.899 -2.444 1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.230 -3.574 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 52 13.100 -1.257 0.619 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.634 -4.673 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.356 -1.690 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.888 -5.108 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.754 -3.618 -1.734 1.00 0.00 H new ATOM 873 N GLN A 53 10.460 -0.940 -2.861 1.00 0.00 N ATOM 874 CA GLN A 53 10.447 -1.166 -4.298 1.00 0.00 C ATOM 875 C GLN A 53 11.859 -1.449 -4.795 1.00 0.00 C ATOM 876 O GLN A 53 12.728 -0.585 -4.747 1.00 0.00 O ATOM 877 CB GLN A 53 9.811 0.015 -5.059 1.00 0.00 C ATOM 878 CG GLN A 53 9.756 1.332 -4.289 1.00 0.00 C ATOM 879 CD GLN A 53 11.081 2.067 -4.237 1.00 0.00 C ATOM 880 OE1 GLN A 53 11.894 1.977 -5.154 1.00 0.00 O ATOM 881 NE2 GLN A 53 11.298 2.811 -3.164 1.00 0.00 N ATOM 0 H GLN A 53 10.895 -0.063 -2.574 1.00 0.00 H new ATOM 0 HA GLN A 53 9.826 -2.039 -4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.370 0.175 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.796 -0.262 -5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.010 1.980 -4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.421 1.133 -3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.596 2.858 -2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.167 3.338 -3.076 1.00 0.00 H new ATOM 890 N PRO A 54 12.109 -2.690 -5.244 1.00 0.00 N ATOM 891 CA PRO A 54 13.422 -3.118 -5.723 1.00 0.00 C ATOM 892 C PRO A 54 13.684 -2.686 -7.161 1.00 0.00 C ATOM 893 O PRO A 54 14.788 -2.856 -7.681 1.00 0.00 O ATOM 894 CB PRO A 54 13.364 -4.654 -5.635 1.00 0.00 C ATOM 895 CG PRO A 54 12.006 -4.991 -5.093 1.00 0.00 C ATOM 896 CD PRO A 54 11.141 -3.784 -5.309 1.00 0.00 C ATOM 0 HA PRO A 54 14.226 -2.675 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.515 -5.106 -6.615 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.149 -5.037 -4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.591 -5.860 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.064 -5.241 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.629 -3.817 -6.271 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.372 -3.692 -4.542 1.00 0.00 H new ATOM 904 N ASP A 55 12.665 -2.137 -7.802 1.00 0.00 N ATOM 905 CA ASP A 55 12.789 -1.694 -9.185 1.00 0.00 C ATOM 906 C ASP A 55 12.304 -0.254 -9.314 1.00 0.00 C ATOM 907 O ASP A 55 11.960 0.379 -8.313 1.00 0.00 O ATOM 908 CB ASP A 55 11.995 -2.619 -10.117 1.00 0.00 C ATOM 909 CG ASP A 55 12.581 -2.679 -11.517 1.00 0.00 C ATOM 910 OD1 ASP A 55 12.270 -1.798 -12.346 1.00 0.00 O ATOM 911 OD2 ASP A 55 13.362 -3.615 -11.795 1.00 0.00 O ATOM 0 H ASP A 55 11.744 -1.987 -7.390 1.00 0.00 H new ATOM 0 HA ASP A 55 13.838 -1.737 -9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.972 -3.623 -9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.963 -2.273 -10.173 1.00 0.00 H new ATOM 916 N GLY A 56 12.274 0.261 -10.536 1.00 0.00 N ATOM 917 CA GLY A 56 11.894 1.642 -10.753 1.00 0.00 C ATOM 918 C GLY A 56 10.396 1.842 -10.688 1.00 0.00 C ATOM 919 O GLY A 56 9.641 1.153 -11.376 1.00 0.00 O ATOM 0 H GLY A 56 12.507 -0.256 -11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.375 2.271 -10.004 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.260 1.969 -11.726 1.00 0.00 H new ATOM 923 N ALA A 57 9.961 2.782 -9.862 1.00 0.00 N ATOM 924 CA ALA A 57 8.544 3.053 -9.706 1.00 0.00 C ATOM 925 C ALA A 57 8.280 4.555 -9.647 1.00 0.00 C ATOM 926 O ALA A 57 9.189 5.360 -9.855 1.00 0.00 O ATOM 927 CB ALA A 57 8.015 2.362 -8.460 1.00 0.00 C ATOM 0 H ALA A 57 10.570 3.368 -9.291 1.00 0.00 H new ATOM 0 HA ALA A 57 8.017 2.657 -10.574 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.951 2.572 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.166 1.286 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.548 2.732 -7.584 1.00 0.00 H new ATOM 933 N GLY A 58 7.036 4.919 -9.369 1.00 0.00 N ATOM 934 CA GLY A 58 6.662 6.317 -9.290 1.00 0.00 C ATOM 935 C GLY A 58 6.540 6.795 -7.860 1.00 0.00 C ATOM 936 O GLY A 58 7.371 6.457 -7.015 1.00 0.00 O ATOM 0 H GLY A 58 6.273 4.265 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.405 6.920 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.713 6.467 -9.804 1.00 0.00 H new ATOM 940 N THR A 59 5.509 7.579 -7.586 1.00 0.00 N ATOM 941 CA THR A 59 5.303 8.134 -6.257 1.00 0.00 C ATOM 942 C THR A 59 4.089 7.494 -5.588 1.00 0.00 C ATOM 943 O THR A 59 3.032 7.348 -6.205 1.00 0.00 O ATOM 944 CB THR A 59 5.109 9.659 -6.333 1.00 0.00 C ATOM 945 OG1 THR A 59 6.177 10.242 -7.094 1.00 0.00 O ATOM 946 CG2 THR A 59 5.073 10.280 -4.941 1.00 0.00 C ATOM 0 H THR A 59 4.800 7.846 -8.269 1.00 0.00 H new ATOM 0 HA THR A 59 6.189 7.918 -5.661 1.00 0.00 H new ATOM 0 HB THR A 59 4.155 9.859 -6.820 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.052 11.213 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.935 11.358 -5.027 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.247 9.852 -4.373 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.012 10.074 -4.426 1.00 0.00 H new ATOM 954 N LEU A 60 4.247 7.112 -4.327 1.00 0.00 N ATOM 955 CA LEU A 60 3.191 6.432 -3.591 1.00 0.00 C ATOM 956 C LEU A 60 2.880 7.162 -2.287 1.00 0.00 C ATOM 957 O LEU A 60 3.774 7.421 -1.477 1.00 0.00 O ATOM 958 CB LEU A 60 3.608 4.988 -3.310 1.00 0.00 C ATOM 959 CG LEU A 60 2.617 4.147 -2.501 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.245 4.134 -3.155 1.00 0.00 C ATOM 961 CD2 LEU A 60 3.138 2.729 -2.360 1.00 0.00 C ATOM 0 H LEU A 60 5.102 7.263 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 60 2.286 6.431 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.783 4.490 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.560 5.003 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 60 2.517 4.596 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.563 3.529 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.864 5.153 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.323 3.711 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.428 2.136 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.261 2.287 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.099 2.744 -1.847 1.00 0.00 H new ATOM 973 N LYS A 61 1.612 7.500 -2.096 1.00 0.00 N ATOM 974 CA LYS A 61 1.179 8.212 -0.902 1.00 0.00 C ATOM 975 C LYS A 61 -0.094 7.589 -0.350 1.00 0.00 C ATOM 976 O LYS A 61 -0.808 6.886 -1.061 1.00 0.00 O ATOM 977 CB LYS A 61 0.918 9.687 -1.217 1.00 0.00 C ATOM 978 CG LYS A 61 2.102 10.410 -1.835 1.00 0.00 C ATOM 979 CD LYS A 61 1.791 11.872 -2.102 1.00 0.00 C ATOM 980 CE LYS A 61 0.645 12.031 -3.088 1.00 0.00 C ATOM 981 NZ LYS A 61 0.408 13.455 -3.438 1.00 0.00 N ATOM 0 H LYS A 61 0.863 7.291 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 61 1.974 8.139 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.069 9.757 -1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.634 10.199 -0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.961 10.337 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.380 9.921 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.536 12.367 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.679 12.368 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.865 11.466 -3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.263 11.606 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.381 13.520 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.173 13.990 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.266 13.854 -3.870 1.00 0.00 H new ATOM 995 N MET A 62 -0.371 7.842 0.915 1.00 0.00 N ATOM 996 CA MET A 62 -1.632 7.432 1.508 1.00 0.00 C ATOM 997 C MET A 62 -2.690 8.488 1.190 1.00 0.00 C ATOM 998 O MET A 62 -2.343 9.624 0.865 1.00 0.00 O ATOM 999 CB MET A 62 -1.463 7.229 3.022 1.00 0.00 C ATOM 1000 CG MET A 62 -2.735 6.804 3.745 1.00 0.00 C ATOM 1001 SD MET A 62 -2.432 6.192 5.419 1.00 0.00 S ATOM 1002 CE MET A 62 -1.399 7.489 6.095 1.00 0.00 C ATOM 0 H MET A 62 0.259 8.329 1.552 1.00 0.00 H new ATOM 0 HA MET A 62 -1.956 6.479 1.090 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.694 6.476 3.192 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.102 8.158 3.463 1.00 0.00 H new ATOM 0 HG2 MET A 62 -3.418 7.652 3.793 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.232 6.026 3.165 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.150 7.253 7.130 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.483 7.567 5.510 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.935 8.437 6.058 1.00 0.00 H new ATOM 1012 N SER A 63 -3.964 8.112 1.266 1.00 0.00 N ATOM 1013 CA SER A 63 -5.073 8.991 0.883 1.00 0.00 C ATOM 1014 C SER A 63 -5.012 10.359 1.575 1.00 0.00 C ATOM 1015 O SER A 63 -5.528 11.348 1.048 1.00 0.00 O ATOM 1016 CB SER A 63 -6.406 8.311 1.203 1.00 0.00 C ATOM 1017 OG SER A 63 -7.505 9.076 0.740 1.00 0.00 O ATOM 0 H SER A 63 -4.260 7.192 1.594 1.00 0.00 H new ATOM 0 HA SER A 63 -4.986 9.168 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.431 7.323 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.491 8.165 2.280 1.00 0.00 H new ATOM 0 HG SER A 63 -8.341 8.613 0.959 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.383 10.418 2.739 1.00 0.00 N ATOM 1024 CA ASP A 64 -4.320 11.654 3.514 1.00 0.00 C ATOM 1025 C ASP A 64 -3.303 12.622 2.911 1.00 0.00 C ATOM 1026 O ASP A 64 -3.385 13.832 3.115 1.00 0.00 O ATOM 1027 CB ASP A 64 -3.944 11.350 4.964 1.00 0.00 C ATOM 1028 CG ASP A 64 -2.468 11.060 5.124 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -1.950 10.173 4.418 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -1.813 11.741 5.935 1.00 0.00 O ATOM 0 H ASP A 64 -3.908 9.625 3.170 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.305 12.121 3.488 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.216 12.197 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.521 10.494 5.315 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.346 12.081 2.166 1.00 0.00 N ATOM 1036 CA GLY A 65 -1.323 12.904 1.560 1.00 0.00 C ATOM 1037 C GLY A 65 0.068 12.554 2.051 1.00 0.00 C ATOM 1038 O GLY A 65 1.055 13.121 1.587 1.00 0.00 O ATOM 0 H GLY A 65 -2.263 11.083 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.362 12.789 0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.529 13.952 1.777 1.00 0.00 H new ATOM 1042 N THR A 66 0.150 11.623 2.996 1.00 0.00 N ATOM 1043 CA THR A 66 1.434 11.187 3.518 1.00 0.00 C ATOM 1044 C THR A 66 2.166 10.310 2.511 1.00 0.00 C ATOM 1045 O THR A 66 1.674 9.249 2.120 1.00 0.00 O ATOM 1046 CB THR A 66 1.273 10.423 4.849 1.00 0.00 C ATOM 1047 OG1 THR A 66 0.729 11.299 5.845 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.606 9.875 5.336 1.00 0.00 C ATOM 0 H THR A 66 -0.657 11.159 3.413 1.00 0.00 H new ATOM 0 HA THR A 66 2.025 12.084 3.702 1.00 0.00 H new ATOM 0 HB THR A 66 0.598 9.585 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.127 11.659 5.532 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.459 9.342 6.275 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.012 9.191 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.303 10.698 5.491 1.00 0.00 H new ATOM 1056 N VAL A 67 3.328 10.773 2.077 1.00 0.00 N ATOM 1057 CA VAL A 67 4.169 10.004 1.178 1.00 0.00 C ATOM 1058 C VAL A 67 4.745 8.811 1.924 1.00 0.00 C ATOM 1059 O VAL A 67 5.299 8.961 3.011 1.00 0.00 O ATOM 1060 CB VAL A 67 5.317 10.858 0.599 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.116 10.069 -0.427 1.00 0.00 C ATOM 1062 CG2 VAL A 67 4.777 12.140 -0.015 1.00 0.00 C ATOM 0 H VAL A 67 3.710 11.683 2.336 1.00 0.00 H new ATOM 0 HA VAL A 67 3.553 9.666 0.345 1.00 0.00 H new ATOM 0 HB VAL A 67 5.985 11.125 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.919 10.692 -0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.542 9.184 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.460 9.764 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.603 12.727 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.082 11.894 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.259 12.719 0.749 1.00 0.00 H new ATOM 1072 N LEU A 68 4.600 7.633 1.351 1.00 0.00 N ATOM 1073 CA LEU A 68 5.000 6.408 2.022 1.00 0.00 C ATOM 1074 C LEU A 68 6.336 5.907 1.485 1.00 0.00 C ATOM 1075 O LEU A 68 6.404 5.294 0.418 1.00 0.00 O ATOM 1076 CB LEU A 68 3.907 5.354 1.854 1.00 0.00 C ATOM 1077 CG LEU A 68 2.539 5.753 2.417 1.00 0.00 C ATOM 1078 CD1 LEU A 68 1.462 4.782 1.960 1.00 0.00 C ATOM 1079 CD2 LEU A 68 2.587 5.819 3.934 1.00 0.00 C ATOM 0 H LEU A 68 4.207 7.496 0.420 1.00 0.00 H new ATOM 0 HA LEU A 68 5.132 6.610 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.797 5.131 0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.231 4.434 2.341 1.00 0.00 H new ATOM 0 HG LEU A 68 2.289 6.743 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.500 5.086 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.408 4.785 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.705 3.778 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.607 6.104 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.862 4.842 4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.326 6.558 4.243 1.00 0.00 H new ATOM 1091 N LEU A 69 7.399 6.196 2.222 1.00 0.00 N ATOM 1092 CA LEU A 69 8.744 5.829 1.808 1.00 0.00 C ATOM 1093 C LEU A 69 9.239 4.608 2.578 1.00 0.00 C ATOM 1094 O LEU A 69 8.790 4.343 3.691 1.00 0.00 O ATOM 1095 CB LEU A 69 9.697 7.010 2.027 1.00 0.00 C ATOM 1096 CG LEU A 69 9.322 8.291 1.284 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.343 9.383 1.560 1.00 0.00 C ATOM 1098 CD2 LEU A 69 9.216 8.027 -0.210 1.00 0.00 C ATOM 0 H LEU A 69 7.354 6.687 3.115 1.00 0.00 H new ATOM 0 HA LEU A 69 8.720 5.576 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.742 7.227 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.699 6.710 1.720 1.00 0.00 H new ATOM 0 HG LEU A 69 8.350 8.628 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.061 10.289 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.374 9.590 2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.327 9.054 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.948 8.950 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.174 7.668 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.449 7.274 -0.393 1.00 0.00 H new ATOM 1110 N PRO A 70 10.179 3.849 1.990 1.00 0.00 N ATOM 1111 CA PRO A 70 10.775 2.667 2.631 1.00 0.00 C ATOM 1112 C PRO A 70 11.673 3.038 3.807 1.00 0.00 C ATOM 1113 O PRO A 70 12.114 2.175 4.566 1.00 0.00 O ATOM 1114 CB PRO A 70 11.616 2.026 1.513 1.00 0.00 C ATOM 1115 CG PRO A 70 11.174 2.690 0.251 1.00 0.00 C ATOM 1116 CD PRO A 70 10.730 4.066 0.647 1.00 0.00 C ATOM 0 HA PRO A 70 10.011 2.007 3.041 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.681 2.180 1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.453 0.949 1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 70 11.988 2.735 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.360 2.136 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.560 4.772 0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.982 4.464 -0.039 1.00 0.00 H new ATOM 1124 N ASN A 71 11.943 4.328 3.941 1.00 0.00 N ATOM 1125 CA ASN A 71 12.831 4.829 4.982 1.00 0.00 C ATOM 1126 C ASN A 71 12.137 4.835 6.345 1.00 0.00 C ATOM 1127 O ASN A 71 12.745 4.507 7.365 1.00 0.00 O ATOM 1128 CB ASN A 71 13.306 6.243 4.613 1.00 0.00 C ATOM 1129 CG ASN A 71 14.407 6.778 5.517 1.00 0.00 C ATOM 1130 OD1 ASN A 71 14.445 6.518 6.717 1.00 0.00 O ATOM 1131 ND2 ASN A 71 15.329 7.522 4.932 1.00 0.00 N ATOM 0 H ASN A 71 11.557 5.053 3.337 1.00 0.00 H new ATOM 0 HA ASN A 71 13.693 4.166 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.664 6.238 3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.455 6.923 4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.102 7.900 5.479 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.267 7.719 3.933 1.00 0.00 H new ATOM 1138 N ASP A 72 10.859 5.185 6.361 1.00 0.00 N ATOM 1139 CA ASP A 72 10.143 5.359 7.618 1.00 0.00 C ATOM 1140 C ASP A 72 9.059 4.306 7.794 1.00 0.00 C ATOM 1141 O ASP A 72 8.572 3.728 6.823 1.00 0.00 O ATOM 1142 CB ASP A 72 9.521 6.754 7.699 1.00 0.00 C ATOM 1143 CG ASP A 72 10.560 7.855 7.776 1.00 0.00 C ATOM 1144 OD1 ASP A 72 11.256 7.952 8.808 1.00 0.00 O ATOM 1145 OD2 ASP A 72 10.689 8.632 6.804 1.00 0.00 O ATOM 0 H ASP A 72 10.299 5.353 5.525 1.00 0.00 H new ATOM 0 HA ASP A 72 10.870 5.243 8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.889 6.917 6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.874 6.809 8.575 1.00 0.00 H new ATOM 1150 N LEU A 73 8.697 4.057 9.044 1.00 0.00 N ATOM 1151 CA LEU A 73 7.607 3.154 9.369 1.00 0.00 C ATOM 1152 C LEU A 73 6.412 3.968 9.837 1.00 0.00 C ATOM 1153 O LEU A 73 6.454 4.602 10.896 1.00 0.00 O ATOM 1154 CB LEU A 73 8.038 2.161 10.454 1.00 0.00 C ATOM 1155 CG LEU A 73 6.978 1.134 10.866 1.00 0.00 C ATOM 1156 CD1 LEU A 73 6.587 0.260 9.684 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.489 0.275 12.013 1.00 0.00 C ATOM 0 H LEU A 73 9.150 4.474 9.857 1.00 0.00 H new ATOM 0 HA LEU A 73 7.332 2.583 8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.920 1.626 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.337 2.723 11.339 1.00 0.00 H new ATOM 0 HG LEU A 73 6.092 1.673 11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.833 -0.462 9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.181 0.885 8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.466 -0.270 9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.724 -0.449 12.294 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.390 -0.252 11.700 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.719 0.910 12.869 1.00 0.00 H new ATOM 1169 N TYR A 74 5.356 3.963 9.042 1.00 0.00 N ATOM 1170 CA TYR A 74 4.198 4.806 9.304 1.00 0.00 C ATOM 1171 C TYR A 74 3.123 4.027 10.047 1.00 0.00 C ATOM 1172 O TYR A 74 2.856 2.874 9.725 1.00 0.00 O ATOM 1173 CB TYR A 74 3.625 5.344 7.988 1.00 0.00 C ATOM 1174 CG TYR A 74 4.655 6.002 7.096 1.00 0.00 C ATOM 1175 CD1 TYR A 74 5.371 5.256 6.169 1.00 0.00 C ATOM 1176 CD2 TYR A 74 4.914 7.364 7.184 1.00 0.00 C ATOM 1177 CE1 TYR A 74 6.315 5.847 5.354 1.00 0.00 C ATOM 1178 CE2 TYR A 74 5.858 7.962 6.371 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.556 7.199 5.460 1.00 0.00 C ATOM 1180 OH TYR A 74 7.501 7.791 4.651 1.00 0.00 O ATOM 0 H TYR A 74 5.275 3.383 8.207 1.00 0.00 H new ATOM 0 HA TYR A 74 4.520 5.642 9.925 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.158 4.523 7.444 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.839 6.065 8.213 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.186 4.195 6.084 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.370 7.964 7.898 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.862 5.253 4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.048 9.022 6.449 1.00 0.00 H new ATOM 0 HH TYR A 74 7.053 8.325 3.962 1.00 0.00 H new ATOM 1190 N PRO A 75 2.516 4.632 11.073 1.00 0.00 N ATOM 1191 CA PRO A 75 1.387 4.040 11.779 1.00 0.00 C ATOM 1192 C PRO A 75 0.083 4.230 11.009 1.00 0.00 C ATOM 1193 O PRO A 75 -0.180 5.308 10.471 1.00 0.00 O ATOM 1194 CB PRO A 75 1.338 4.808 13.112 1.00 0.00 C ATOM 1195 CG PRO A 75 2.503 5.749 13.092 1.00 0.00 C ATOM 1196 CD PRO A 75 2.887 5.923 11.652 1.00 0.00 C ATOM 0 HA PRO A 75 1.503 2.964 11.907 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.399 5.352 13.214 1.00 0.00 H new ATOM 0 HB3 PRO A 75 1.404 4.124 13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.236 6.706 13.540 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.336 5.347 13.670 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.349 6.748 11.185 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.951 6.130 11.537 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.723 3.183 10.949 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.013 3.247 10.278 1.00 0.00 C ATOM 1206 C LEU A 76 -3.089 3.695 11.256 1.00 0.00 C ATOM 1207 O LEU A 76 -3.395 2.991 12.218 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.392 1.885 9.687 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.541 1.416 8.508 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -1.920 -0.005 8.109 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.712 2.360 7.327 1.00 0.00 C ATOM 0 H LEU A 76 -0.506 2.274 11.358 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.936 3.969 9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.330 1.137 10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.433 1.925 9.367 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.494 1.422 8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.304 -0.323 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.757 -0.676 8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.971 -0.034 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.100 2.015 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.759 2.379 7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.399 3.364 7.615 1.00 0.00 H new ATOM 1223 N PRO A 77 -3.677 4.876 11.020 1.00 0.00 N ATOM 1224 CA PRO A 77 -4.723 5.427 11.887 1.00 0.00 C ATOM 1225 C PRO A 77 -6.061 4.712 11.708 1.00 0.00 C ATOM 1226 O PRO A 77 -7.036 5.009 12.400 1.00 0.00 O ATOM 1227 CB PRO A 77 -4.828 6.881 11.430 1.00 0.00 C ATOM 1228 CG PRO A 77 -4.391 6.864 10.006 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.362 5.774 9.893 1.00 0.00 C ATOM 0 HA PRO A 77 -4.481 5.314 12.944 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.848 7.253 11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.193 7.532 12.031 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.235 6.673 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.970 7.827 9.717 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.432 5.256 8.937 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.349 6.170 9.968 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.099 3.778 10.768 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.304 3.023 10.515 1.00 0.00 C ATOM 1239 C GLY A 78 -7.020 1.760 9.734 1.00 0.00 C ATOM 1240 O GLY A 78 -5.978 1.647 9.093 1.00 0.00 O ATOM 0 H GLY A 78 -5.308 3.530 10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.778 2.766 11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.011 3.641 9.962 1.00 0.00 H new ATOM 1244 N GLU A 79 -7.943 0.812 9.798 1.00 0.00 N ATOM 1245 CA GLU A 79 -7.814 -0.444 9.068 1.00 0.00 C ATOM 1246 C GLU A 79 -8.453 -0.335 7.685 1.00 0.00 C ATOM 1247 O GLU A 79 -8.251 -1.191 6.821 1.00 0.00 O ATOM 1248 CB GLU A 79 -8.452 -1.582 9.868 1.00 0.00 C ATOM 1249 CG GLU A 79 -9.712 -1.169 10.606 1.00 0.00 C ATOM 1250 CD GLU A 79 -10.357 -2.322 11.339 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -9.689 -2.932 12.201 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -11.533 -2.622 11.046 1.00 0.00 O ATOM 0 H GLU A 79 -8.796 0.888 10.352 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.754 -0.661 8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.689 -2.403 9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.726 -1.961 10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.470 -0.380 11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.425 -0.750 9.896 1.00 0.00 H new ATOM 1259 N THR A 80 -9.226 0.722 7.491 1.00 0.00 N ATOM 1260 CA THR A 80 -9.845 1.005 6.207 1.00 0.00 C ATOM 1261 C THR A 80 -9.273 2.291 5.620 1.00 0.00 C ATOM 1262 O THR A 80 -9.498 3.378 6.159 1.00 0.00 O ATOM 1263 CB THR A 80 -11.372 1.139 6.356 1.00 0.00 C ATOM 1264 OG1 THR A 80 -11.696 1.452 7.720 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.075 -0.144 5.944 1.00 0.00 C ATOM 0 H THR A 80 -9.441 1.405 8.217 1.00 0.00 H new ATOM 0 HA THR A 80 -9.630 0.174 5.535 1.00 0.00 H new ATOM 0 HB THR A 80 -11.713 1.941 5.702 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.668 1.539 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.152 -0.022 6.059 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.844 -0.367 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.734 -0.965 6.575 1.00 0.00 H new ATOM 1273 N PHE A 81 -8.522 2.167 4.532 1.00 0.00 N ATOM 1274 CA PHE A 81 -7.842 3.315 3.946 1.00 0.00 C ATOM 1275 C PHE A 81 -7.582 3.106 2.455 1.00 0.00 C ATOM 1276 O PHE A 81 -7.710 1.991 1.938 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.520 3.579 4.684 1.00 0.00 C ATOM 1278 CG PHE A 81 -5.590 2.398 4.714 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -5.681 1.455 5.725 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -4.625 2.233 3.734 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -4.830 0.369 5.757 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -3.770 1.148 3.762 1.00 0.00 C ATOM 1283 CZ PHE A 81 -3.874 0.214 4.775 1.00 0.00 C ATOM 0 H PHE A 81 -8.369 1.287 4.040 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.492 4.183 4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.011 4.417 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.741 3.880 5.708 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.427 1.571 6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.540 2.960 2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.913 -0.359 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.021 1.030 2.993 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.208 -0.636 4.798 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.222 4.186 1.768 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.874 4.112 0.357 1.00 0.00 C ATOM 1295 C ARG A 82 -5.435 4.557 0.140 1.00 0.00 C ATOM 1296 O ARG A 82 -4.921 5.418 0.857 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.804 4.976 -0.497 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.249 4.506 -0.517 1.00 0.00 C ATOM 1299 CD ARG A 82 -10.053 5.250 -1.571 1.00 0.00 C ATOM 1300 NE ARG A 82 -11.474 4.906 -1.535 1.00 0.00 N ATOM 1301 CZ ARG A 82 -12.384 5.417 -2.366 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -12.006 6.162 -3.401 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -13.670 5.142 -2.199 1.00 0.00 N ATOM 0 H ARG A 82 -7.164 5.123 2.168 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.987 3.072 0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.772 6.000 -0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.426 4.996 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.283 3.435 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.698 4.661 0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -9.938 6.323 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.652 5.022 -2.558 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.788 4.236 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -11.016 6.345 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.706 6.550 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.967 4.538 -1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.363 5.535 -2.837 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.793 3.959 -0.844 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.432 4.310 -1.202 1.00 0.00 C ATOM 1319 C LEU A 83 -3.404 4.897 -2.606 1.00 0.00 C ATOM 1320 O LEU A 83 -4.030 4.362 -3.516 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.545 3.067 -1.129 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.558 2.350 0.223 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.894 0.986 0.117 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.871 3.201 1.284 1.00 0.00 C ATOM 0 H LEU A 83 -5.198 3.218 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.054 5.056 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.863 2.365 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.520 3.355 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.596 2.199 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.915 0.495 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.431 0.376 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.860 1.109 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.889 2.676 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.837 3.384 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.394 4.152 1.383 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.694 5.996 -2.780 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.638 6.662 -4.071 1.00 0.00 C ATOM 1338 C TYR A 84 -1.261 6.534 -4.692 1.00 0.00 C ATOM 1339 O TYR A 84 -0.287 7.116 -4.209 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.029 8.134 -3.937 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.519 8.336 -3.809 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.145 8.320 -2.569 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.302 8.526 -4.936 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.512 8.491 -2.462 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.668 8.695 -4.837 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.268 8.677 -3.599 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.634 8.837 -3.503 1.00 0.00 O ATOM 0 H TYR A 84 -2.148 6.447 -2.046 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.354 6.172 -4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.533 8.558 -3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.666 8.682 -4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.555 8.172 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.835 8.542 -5.910 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.986 8.479 -1.492 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.263 8.841 -5.727 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.076 7.975 -3.650 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.186 5.751 -5.754 1.00 0.00 N ATOM 1358 CA TYR A 85 0.060 5.553 -6.465 1.00 0.00 C ATOM 1359 C TYR A 85 0.035 6.266 -7.810 1.00 0.00 C ATOM 1360 O TYR A 85 -0.843 6.025 -8.637 1.00 0.00 O ATOM 1361 CB TYR A 85 0.330 4.062 -6.673 1.00 0.00 C ATOM 1362 CG TYR A 85 1.593 3.792 -7.452 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.837 4.070 -6.905 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.540 3.268 -8.735 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.995 3.835 -7.616 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.693 3.028 -9.454 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.918 3.314 -8.890 1.00 0.00 C ATOM 1368 OH TYR A 85 5.071 3.073 -9.598 1.00 0.00 O ATOM 0 H TYR A 85 -1.979 5.241 -6.143 1.00 0.00 H new ATOM 0 HA TYR A 85 0.862 5.976 -5.860 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.398 3.572 -5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.515 3.615 -7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.900 4.477 -5.907 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.581 3.044 -9.178 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.956 4.058 -7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.636 2.619 -10.452 1.00 0.00 H new ATOM 0 HH TYR A 85 4.934 3.312 -10.538 1.00 0.00 H new ATOM 1378 N THR A 86 0.995 7.146 -8.020 1.00 0.00 N ATOM 1379 CA THR A 86 1.142 7.828 -9.291 1.00 0.00 C ATOM 1380 C THR A 86 2.200 7.124 -10.139 1.00 0.00 C ATOM 1381 O THR A 86 3.370 7.045 -9.751 1.00 0.00 O ATOM 1382 CB THR A 86 1.536 9.301 -9.084 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.656 9.907 -8.124 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.470 10.072 -10.395 1.00 0.00 C ATOM 0 H THR A 86 1.690 7.407 -7.320 1.00 0.00 H new ATOM 0 HA THR A 86 0.183 7.798 -9.808 1.00 0.00 H new ATOM 0 HB THR A 86 2.561 9.334 -8.716 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.910 10.844 -7.993 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.753 11.110 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.155 9.625 -11.115 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.454 10.034 -10.789 1.00 0.00 H new ATOM 1392 N SER A 87 1.783 6.593 -11.278 1.00 0.00 N ATOM 1393 CA SER A 87 2.678 5.844 -12.144 1.00 0.00 C ATOM 1394 C SER A 87 3.630 6.768 -12.898 1.00 0.00 C ATOM 1395 O SER A 87 3.208 7.595 -13.710 1.00 0.00 O ATOM 1396 CB SER A 87 1.862 4.994 -13.110 1.00 0.00 C ATOM 1397 OG SER A 87 0.702 5.686 -13.537 1.00 0.00 O ATOM 0 H SER A 87 0.827 6.668 -11.624 1.00 0.00 H new ATOM 0 HA SER A 87 3.291 5.189 -11.525 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.472 4.731 -13.974 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.576 4.060 -12.626 1.00 0.00 H new ATOM 0 HG SER A 87 0.876 6.115 -14.401 1.00 0.00 H new ATOM 1403 N ALA A 88 4.917 6.622 -12.611 1.00 0.00 N ATOM 1404 CA ALA A 88 5.950 7.414 -13.261 1.00 0.00 C ATOM 1405 C ALA A 88 7.069 6.510 -13.764 1.00 0.00 C ATOM 1406 O ALA A 88 8.189 6.958 -14.001 1.00 0.00 O ATOM 1407 CB ALA A 88 6.496 8.459 -12.297 1.00 0.00 C ATOM 0 H ALA A 88 5.272 5.955 -11.925 1.00 0.00 H new ATOM 0 HA ALA A 88 5.513 7.929 -14.117 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.268 9.045 -12.795 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.688 9.118 -11.979 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.923 7.962 -11.426 1.00 0.00 H new ATOM 1413 N SER A 89 6.752 5.236 -13.937 1.00 0.00 N ATOM 1414 CA SER A 89 7.721 4.265 -14.415 1.00 0.00 C ATOM 1415 C SER A 89 7.233 3.655 -15.725 1.00 0.00 C ATOM 1416 O SER A 89 6.054 3.761 -16.065 1.00 0.00 O ATOM 1417 CB SER A 89 7.950 3.181 -13.352 1.00 0.00 C ATOM 1418 OG SER A 89 8.898 2.214 -13.779 1.00 0.00 O ATOM 0 H SER A 89 5.826 4.850 -13.752 1.00 0.00 H new ATOM 0 HA SER A 89 8.673 4.762 -14.600 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.296 3.645 -12.428 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.004 2.688 -13.127 1.00 0.00 H new ATOM 0 HG SER A 89 9.176 1.669 -13.014 1.00 0.00 H new ATOM 1424 N THR A 90 8.139 3.029 -16.459 1.00 0.00 N ATOM 1425 CA THR A 90 7.818 2.502 -17.778 1.00 0.00 C ATOM 1426 C THR A 90 8.102 1.003 -17.878 1.00 0.00 C ATOM 1427 O THR A 90 7.879 0.384 -18.919 1.00 0.00 O ATOM 1428 CB THR A 90 8.607 3.254 -18.868 1.00 0.00 C ATOM 1429 OG1 THR A 90 9.972 3.426 -18.455 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.982 4.613 -19.158 1.00 0.00 C ATOM 0 H THR A 90 9.103 2.873 -16.165 1.00 0.00 H new ATOM 0 HA THR A 90 6.750 2.654 -17.933 1.00 0.00 H new ATOM 0 HB THR A 90 8.575 2.659 -19.781 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.467 3.903 -19.153 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.559 5.121 -19.931 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.957 4.476 -19.502 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.983 5.215 -18.249 1.00 0.00 H new ATOM 1438 N ASP A 91 8.583 0.421 -16.791 1.00 0.00 N ATOM 1439 CA ASP A 91 8.892 -1.001 -16.766 1.00 0.00 C ATOM 1440 C ASP A 91 7.948 -1.719 -15.813 1.00 0.00 C ATOM 1441 O ASP A 91 6.932 -1.156 -15.403 1.00 0.00 O ATOM 1442 CB ASP A 91 10.349 -1.232 -16.350 1.00 0.00 C ATOM 1443 CG ASP A 91 11.336 -0.735 -17.387 1.00 0.00 C ATOM 1444 OD1 ASP A 91 11.550 -1.441 -18.393 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.893 0.370 -17.207 1.00 0.00 O ATOM 0 H ASP A 91 8.768 0.910 -15.915 1.00 0.00 H new ATOM 0 HA ASP A 91 8.758 -1.405 -17.769 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.537 -0.727 -15.403 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.510 -2.297 -16.181 1.00 0.00 H new ATOM 1450 N GLN A 92 8.260 -2.964 -15.484 1.00 0.00 N ATOM 1451 CA GLN A 92 7.445 -3.717 -14.541 1.00 0.00 C ATOM 1452 C GLN A 92 7.653 -3.178 -13.134 1.00 0.00 C ATOM 1453 O GLN A 92 8.736 -3.311 -12.561 1.00 0.00 O ATOM 1454 CB GLN A 92 7.777 -5.213 -14.602 1.00 0.00 C ATOM 1455 CG GLN A 92 7.012 -6.049 -13.582 1.00 0.00 C ATOM 1456 CD GLN A 92 7.167 -7.544 -13.803 1.00 0.00 C ATOM 1457 OE1 GLN A 92 7.311 -8.004 -14.936 1.00 0.00 O ATOM 1458 NE2 GLN A 92 7.145 -8.314 -12.723 1.00 0.00 N ATOM 0 H GLN A 92 9.065 -3.471 -15.852 1.00 0.00 H new ATOM 0 HA GLN A 92 6.397 -3.598 -14.814 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.557 -5.585 -15.603 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.847 -5.346 -14.440 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.360 -5.798 -12.580 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.955 -5.788 -13.627 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.024 -7.896 -11.801 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.250 -9.324 -12.815 1.00 0.00 H new ATOM 1467 N GLN A 93 6.618 -2.556 -12.592 1.00 0.00 N ATOM 1468 CA GLN A 93 6.696 -1.950 -11.274 1.00 0.00 C ATOM 1469 C GLN A 93 6.463 -2.997 -10.196 1.00 0.00 C ATOM 1470 O GLN A 93 5.358 -3.517 -10.053 1.00 0.00 O ATOM 1471 CB GLN A 93 5.662 -0.826 -11.149 1.00 0.00 C ATOM 1472 CG GLN A 93 5.947 0.369 -12.046 1.00 0.00 C ATOM 1473 CD GLN A 93 4.807 1.375 -12.067 1.00 0.00 C ATOM 1474 OE1 GLN A 93 5.023 2.578 -12.230 1.00 0.00 O ATOM 1475 NE2 GLN A 93 3.584 0.897 -11.903 1.00 0.00 N ATOM 0 H GLN A 93 5.711 -2.458 -13.047 1.00 0.00 H new ATOM 0 HA GLN A 93 7.693 -1.529 -11.142 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.676 -1.223 -11.390 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.626 -0.491 -10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.856 0.864 -11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.135 0.019 -13.061 1.00 0.00 H new ATOM 0 HE21 GLN A 93 3.441 -0.104 -11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.784 1.530 -11.909 1.00 0.00 H new ATOM 1484 N THR A 94 7.510 -3.306 -9.454 1.00 0.00 N ATOM 1485 CA THR A 94 7.422 -4.261 -8.367 1.00 0.00 C ATOM 1486 C THR A 94 7.449 -3.535 -7.027 1.00 0.00 C ATOM 1487 O THR A 94 8.475 -2.983 -6.629 1.00 0.00 O ATOM 1488 CB THR A 94 8.579 -5.277 -8.433 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.611 -5.889 -9.729 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.428 -6.355 -7.368 1.00 0.00 C ATOM 0 H THR A 94 8.438 -2.905 -9.587 1.00 0.00 H new ATOM 0 HA THR A 94 6.480 -4.801 -8.465 1.00 0.00 H new ATOM 0 HB THR A 94 9.511 -4.742 -8.251 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.349 -6.533 -9.768 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.259 -7.057 -7.440 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.427 -5.893 -6.381 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.489 -6.888 -7.520 1.00 0.00 H new ATOM 1498 N VAL A 95 6.311 -3.518 -6.352 1.00 0.00 N ATOM 1499 CA VAL A 95 6.189 -2.834 -5.073 1.00 0.00 C ATOM 1500 C VAL A 95 5.777 -3.817 -3.988 1.00 0.00 C ATOM 1501 O VAL A 95 4.707 -4.421 -4.065 1.00 0.00 O ATOM 1502 CB VAL A 95 5.149 -1.693 -5.136 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.119 -0.921 -3.824 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.430 -0.756 -6.304 1.00 0.00 C ATOM 0 H VAL A 95 5.455 -3.972 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 95 7.164 -2.406 -4.839 1.00 0.00 H new ATOM 0 HB VAL A 95 4.169 -2.142 -5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.380 -0.122 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.853 -1.596 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.102 -0.492 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.682 0.037 -6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.421 -0.317 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.388 -1.316 -7.238 1.00 0.00 H new ATOM 1514 N ASP A 96 6.629 -3.989 -2.989 1.00 0.00 N ATOM 1515 CA ASP A 96 6.312 -4.871 -1.877 1.00 0.00 C ATOM 1516 C ASP A 96 5.745 -4.054 -0.724 1.00 0.00 C ATOM 1517 O ASP A 96 6.408 -3.153 -0.198 1.00 0.00 O ATOM 1518 CB ASP A 96 7.550 -5.651 -1.429 1.00 0.00 C ATOM 1519 CG ASP A 96 7.202 -6.816 -0.522 1.00 0.00 C ATOM 1520 OD1 ASP A 96 6.083 -7.356 -0.645 1.00 0.00 O ATOM 1521 OD2 ASP A 96 8.062 -7.223 0.290 1.00 0.00 O ATOM 0 H ASP A 96 7.539 -3.533 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 96 5.564 -5.594 -2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.079 -6.023 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.231 -4.978 -0.907 1.00 0.00 H new ATOM 1526 N VAL A 97 4.506 -4.348 -0.362 1.00 0.00 N ATOM 1527 CA VAL A 97 3.801 -3.599 0.668 1.00 0.00 C ATOM 1528 C VAL A 97 3.854 -4.334 2.002 1.00 0.00 C ATOM 1529 O VAL A 97 3.484 -5.502 2.085 1.00 0.00 O ATOM 1530 CB VAL A 97 2.323 -3.380 0.279 1.00 0.00 C ATOM 1531 CG1 VAL A 97 1.621 -2.499 1.299 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.215 -2.784 -1.116 1.00 0.00 C ATOM 0 H VAL A 97 3.963 -5.108 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 97 4.296 -2.633 0.763 1.00 0.00 H new ATOM 0 HB VAL A 97 1.827 -4.350 0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.581 -2.359 1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.659 -2.975 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.119 -1.530 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.165 -2.638 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.731 -1.824 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.671 -3.462 -1.838 1.00 0.00 H new ATOM 1542 N TYR A 98 4.308 -3.651 3.041 1.00 0.00 N ATOM 1543 CA TYR A 98 4.421 -4.258 4.359 1.00 0.00 C ATOM 1544 C TYR A 98 3.348 -3.732 5.299 1.00 0.00 C ATOM 1545 O TYR A 98 3.288 -2.532 5.577 1.00 0.00 O ATOM 1546 CB TYR A 98 5.797 -3.982 4.963 1.00 0.00 C ATOM 1547 CG TYR A 98 6.940 -4.491 4.121 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.377 -5.802 4.233 1.00 0.00 C ATOM 1549 CD2 TYR A 98 7.571 -3.662 3.203 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.416 -6.273 3.458 1.00 0.00 C ATOM 1551 CE2 TYR A 98 8.607 -4.127 2.422 1.00 0.00 C ATOM 1552 CZ TYR A 98 9.027 -5.431 2.553 1.00 0.00 C ATOM 1553 OH TYR A 98 10.054 -5.900 1.772 1.00 0.00 O ATOM 0 H TYR A 98 4.604 -2.676 2.998 1.00 0.00 H new ATOM 0 HA TYR A 98 4.287 -5.333 4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.913 -2.908 5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.850 -4.443 5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.897 -6.464 4.938 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.245 -2.638 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.749 -7.295 3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 98 9.087 -3.471 1.711 1.00 0.00 H new ATOM 0 HH TYR A 98 9.691 -6.470 1.062 1.00 0.00 H new ATOM 1563 N PHE A 99 2.501 -4.631 5.773 1.00 0.00 N ATOM 1564 CA PHE A 99 1.536 -4.309 6.811 1.00 0.00 C ATOM 1565 C PHE A 99 1.940 -5.007 8.100 1.00 0.00 C ATOM 1566 O PHE A 99 2.287 -6.192 8.091 1.00 0.00 O ATOM 1567 CB PHE A 99 0.124 -4.746 6.409 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.415 -4.044 5.196 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.763 -2.704 5.254 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.579 -4.724 4.001 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -1.263 -2.055 4.143 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -1.078 -4.079 2.886 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.421 -2.743 2.958 1.00 0.00 C ATOM 0 H PHE A 99 2.463 -5.598 5.452 1.00 0.00 H new ATOM 0 HA PHE A 99 1.527 -3.229 6.955 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.127 -5.820 6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.551 -4.570 7.247 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.642 -2.161 6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.314 -5.769 3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.530 -1.010 4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.200 -4.619 1.959 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.812 -2.238 2.087 1.00 0.00 H new ATOM 1583 N GLN A 100 1.921 -4.275 9.200 1.00 0.00 N ATOM 1584 CA GLN A 100 2.345 -4.818 10.478 1.00 0.00 C ATOM 1585 C GLN A 100 1.339 -4.489 11.569 1.00 0.00 C ATOM 1586 O GLN A 100 0.658 -3.468 11.508 1.00 0.00 O ATOM 1587 CB GLN A 100 3.718 -4.263 10.864 1.00 0.00 C ATOM 1588 CG GLN A 100 4.809 -4.583 9.857 1.00 0.00 C ATOM 1589 CD GLN A 100 6.150 -3.976 10.220 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.400 -3.811 11.509 1.00 0.00 O flip ATOM 1591 NE2 GLN A 100 6.961 -3.665 9.350 1.00 0.00 N flip ATOM 0 H GLN A 100 1.616 -3.302 9.234 1.00 0.00 H new ATOM 0 HA GLN A 100 2.409 -5.901 10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.645 -3.181 10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.003 -4.666 11.836 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.916 -5.665 9.778 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.506 -4.220 8.875 1.00 0.00 H new ATOM 0 HE21 GLN A 100 6.733 -3.807 8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.862 -3.265 9.612 1.00 0.00 H new ATOM 1600 N ASP A 101 1.252 -5.367 12.550 1.00 0.00 N ATOM 1601 CA ASP A 101 0.422 -5.135 13.727 1.00 0.00 C ATOM 1602 C ASP A 101 1.302 -4.902 14.937 1.00 0.00 C ATOM 1603 O ASP A 101 2.465 -5.308 14.948 1.00 0.00 O ATOM 1604 CB ASP A 101 -0.492 -6.332 14.014 1.00 0.00 C ATOM 1605 CG ASP A 101 -1.679 -6.419 13.083 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -1.558 -7.066 12.024 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -2.741 -5.861 13.428 1.00 0.00 O ATOM 0 H ASP A 101 1.750 -6.257 12.558 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.195 -4.259 13.527 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.090 -7.251 13.936 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.850 -6.268 15.042 1.00 0.00 H new ATOM 1612 N SER A 102 0.749 -4.272 15.964 1.00 0.00 N ATOM 1613 CA SER A 102 1.452 -4.124 17.233 1.00 0.00 C ATOM 1614 C SER A 102 1.526 -5.478 17.937 1.00 0.00 C ATOM 1615 O SER A 102 2.235 -5.655 18.930 1.00 0.00 O ATOM 1616 CB SER A 102 0.751 -3.084 18.111 1.00 0.00 C ATOM 1617 OG SER A 102 -0.617 -3.406 18.300 1.00 0.00 O ATOM 0 H SER A 102 -0.182 -3.856 15.945 1.00 0.00 H new ATOM 0 HA SER A 102 2.467 -3.773 17.046 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.250 -3.026 19.078 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.835 -2.100 17.650 1.00 0.00 H new ATOM 0 HG SER A 102 -0.957 -2.938 19.091 1.00 0.00 H new ATOM 1623 N PHE A 103 0.789 -6.431 17.380 1.00 0.00 N ATOM 1624 CA PHE A 103 0.781 -7.805 17.851 1.00 0.00 C ATOM 1625 C PHE A 103 2.020 -8.546 17.346 1.00 0.00 C ATOM 1626 O PHE A 103 2.398 -9.590 17.877 1.00 0.00 O ATOM 1627 CB PHE A 103 -0.504 -8.487 17.362 1.00 0.00 C ATOM 1628 CG PHE A 103 -0.553 -9.973 17.578 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -0.813 -10.500 18.833 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -0.336 -10.845 16.521 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -0.854 -11.866 19.028 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -0.375 -12.211 16.713 1.00 0.00 C ATOM 1633 CZ PHE A 103 -0.634 -12.722 17.968 1.00 0.00 C ATOM 0 H PHE A 103 0.176 -6.268 16.582 1.00 0.00 H new ATOM 0 HA PHE A 103 0.805 -7.824 18.941 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -1.355 -8.033 17.869 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.623 -8.285 16.297 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.985 -9.835 19.667 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.134 -10.450 15.536 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.058 -12.265 20.011 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -0.203 -12.879 15.882 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.665 -13.791 18.121 1.00 0.00 H new ATOM 1643 N GLY A 104 2.668 -7.984 16.334 1.00 0.00 N ATOM 1644 CA GLY A 104 3.845 -8.615 15.771 1.00 0.00 C ATOM 1645 C GLY A 104 3.523 -9.403 14.518 1.00 0.00 C ATOM 1646 O GLY A 104 4.293 -10.267 14.101 1.00 0.00 O ATOM 0 H GLY A 104 2.400 -7.104 15.894 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.589 -7.853 15.539 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.290 -9.279 16.512 1.00 0.00 H new ATOM 1650 N GLN A 105 2.377 -9.109 13.922 1.00 0.00 N ATOM 1651 CA GLN A 105 1.961 -9.769 12.696 1.00 0.00 C ATOM 1652 C GLN A 105 2.602 -9.086 11.492 1.00 0.00 C ATOM 1653 O GLN A 105 2.700 -7.857 11.445 1.00 0.00 O ATOM 1654 CB GLN A 105 0.430 -9.751 12.582 1.00 0.00 C ATOM 1655 CG GLN A 105 -0.112 -10.456 11.348 1.00 0.00 C ATOM 1656 CD GLN A 105 0.335 -11.903 11.256 1.00 0.00 C ATOM 1657 OE1 GLN A 105 1.363 -12.209 10.657 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -0.433 -12.802 11.848 1.00 0.00 N ATOM 0 H GLN A 105 1.717 -8.414 14.271 1.00 0.00 H new ATOM 0 HA GLN A 105 2.291 -10.807 12.719 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.005 -10.219 13.470 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.090 -8.716 12.574 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.201 -10.417 11.361 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.215 -9.922 10.456 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.279 -12.508 12.336 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.179 -13.789 11.817 1.00 0.00 H new ATOM 1667 N LEU A 106 3.057 -9.884 10.539 1.00 0.00 N ATOM 1668 CA LEU A 106 3.705 -9.365 9.346 1.00 0.00 C ATOM 1669 C LEU A 106 2.945 -9.841 8.115 1.00 0.00 C ATOM 1670 O LEU A 106 2.874 -11.041 7.848 1.00 0.00 O ATOM 1671 CB LEU A 106 5.166 -9.851 9.289 1.00 0.00 C ATOM 1672 CG LEU A 106 6.159 -8.960 8.519 1.00 0.00 C ATOM 1673 CD1 LEU A 106 5.733 -8.758 7.073 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.319 -7.623 9.219 1.00 0.00 C ATOM 0 H LEU A 106 2.988 -10.901 10.570 1.00 0.00 H new ATOM 0 HA LEU A 106 3.701 -8.275 9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.529 -9.961 10.311 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.178 -10.843 8.838 1.00 0.00 H new ATOM 0 HG LEU A 106 7.121 -9.471 8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.460 -8.124 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.680 -9.724 6.571 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.753 -8.281 7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.024 -7.004 8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.353 -7.120 9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.695 -7.784 10.229 1.00 0.00 H new ATOM 1686 N GLN A 107 2.371 -8.906 7.376 1.00 0.00 N ATOM 1687 CA GLN A 107 1.659 -9.236 6.152 1.00 0.00 C ATOM 1688 C GLN A 107 2.203 -8.402 4.998 1.00 0.00 C ATOM 1689 O GLN A 107 2.005 -7.189 4.951 1.00 0.00 O ATOM 1690 CB GLN A 107 0.155 -8.995 6.335 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.691 -9.421 5.145 1.00 0.00 C ATOM 1692 CD GLN A 107 -0.505 -10.883 4.787 1.00 0.00 C ATOM 1693 OE1 GLN A 107 0.338 -11.231 3.963 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -1.286 -11.750 5.415 1.00 0.00 N ATOM 0 H GLN A 107 2.384 -7.912 7.602 1.00 0.00 H new ATOM 0 HA GLN A 107 1.810 -10.290 5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.184 -9.534 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.012 -7.935 6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.742 -9.237 5.367 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.435 -8.805 4.283 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.973 -11.420 6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.200 -12.748 5.221 1.00 0.00 H new ATOM 1703 N GLN A 108 2.906 -9.051 4.083 1.00 0.00 N ATOM 1704 CA GLN A 108 3.503 -8.351 2.954 1.00 0.00 C ATOM 1705 C GLN A 108 2.871 -8.781 1.635 1.00 0.00 C ATOM 1706 O GLN A 108 2.692 -9.973 1.368 1.00 0.00 O ATOM 1707 CB GLN A 108 5.021 -8.554 2.920 1.00 0.00 C ATOM 1708 CG GLN A 108 5.455 -10.009 2.963 1.00 0.00 C ATOM 1709 CD GLN A 108 6.962 -10.169 2.998 1.00 0.00 C ATOM 1710 OE1 GLN A 108 7.680 -9.265 2.351 1.00 0.00 O flip ATOM 1711 NE2 GLN A 108 7.480 -11.116 3.589 1.00 0.00 N flip ATOM 0 H GLN A 108 3.077 -10.056 4.098 1.00 0.00 H new ATOM 0 HA GLN A 108 3.305 -7.287 3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.418 -8.095 2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.466 -8.029 3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.022 -10.487 3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 108 5.059 -10.528 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.895 -11.794 4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.494 -11.223 3.590 1.00 0.00 H new ATOM 1720 N LEU A 109 2.537 -7.793 0.821 1.00 0.00 N ATOM 1721 CA LEU A 109 1.891 -8.023 -0.462 1.00 0.00 C ATOM 1722 C LEU A 109 2.730 -7.420 -1.581 1.00 0.00 C ATOM 1723 O LEU A 109 2.882 -6.200 -1.664 1.00 0.00 O ATOM 1724 CB LEU A 109 0.492 -7.397 -0.468 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.466 -7.908 0.612 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.722 -7.056 0.649 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -0.830 -9.365 0.370 1.00 0.00 C ATOM 0 H LEU A 109 2.706 -6.809 1.030 1.00 0.00 H new ATOM 0 HA LEU A 109 1.799 -9.097 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.596 -6.318 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.039 -7.573 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 109 0.040 -7.836 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.393 -7.431 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.454 -6.023 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.221 -7.101 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.511 -9.704 1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.314 -9.463 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.074 -9.974 0.388 1.00 0.00 H new ATOM 1739 N THR A 110 3.281 -8.270 -2.431 1.00 0.00 N ATOM 1740 CA THR A 110 4.118 -7.810 -3.525 1.00 0.00 C ATOM 1741 C THR A 110 3.292 -7.644 -4.798 1.00 0.00 C ATOM 1742 O THR A 110 2.782 -8.621 -5.353 1.00 0.00 O ATOM 1743 CB THR A 110 5.272 -8.797 -3.791 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.919 -9.146 -2.555 1.00 0.00 O ATOM 1745 CG2 THR A 110 6.292 -8.194 -4.749 1.00 0.00 C ATOM 0 H THR A 110 3.164 -9.282 -2.384 1.00 0.00 H new ATOM 0 HA THR A 110 4.537 -6.846 -3.237 1.00 0.00 H new ATOM 0 HB THR A 110 4.853 -9.694 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A 110 5.710 -8.472 -1.875 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.096 -8.909 -4.921 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.807 -7.959 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.703 -7.282 -4.316 1.00 0.00 H new ATOM 1753 N PHE A 111 3.154 -6.408 -5.256 1.00 0.00 N ATOM 1754 CA PHE A 111 2.393 -6.123 -6.462 1.00 0.00 C ATOM 1755 C PHE A 111 3.324 -5.883 -7.640 1.00 0.00 C ATOM 1756 O PHE A 111 4.340 -5.197 -7.511 1.00 0.00 O ATOM 1757 CB PHE A 111 1.492 -4.901 -6.259 1.00 0.00 C ATOM 1758 CG PHE A 111 0.455 -5.081 -5.188 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.659 -5.873 -5.414 1.00 0.00 C ATOM 1760 CD2 PHE A 111 0.594 -4.455 -3.959 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.618 -6.039 -4.432 1.00 0.00 C ATOM 1762 CE2 PHE A 111 -0.361 -4.617 -2.973 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.468 -5.409 -3.209 1.00 0.00 C ATOM 0 H PHE A 111 3.560 -5.586 -4.809 1.00 0.00 H new ATOM 0 HA PHE A 111 1.768 -6.990 -6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.113 -4.041 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.992 -4.670 -7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.780 -6.366 -6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.457 -3.834 -3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.482 -6.659 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.242 -4.125 -2.019 1.00 0.00 H new ATOM 0 HZ PHE A 111 -2.215 -5.536 -2.440 1.00 0.00 H new ATOM 1773 N SER A 112 2.981 -6.459 -8.780 1.00 0.00 N ATOM 1774 CA SER A 112 3.758 -6.274 -9.989 1.00 0.00 C ATOM 1775 C SER A 112 2.892 -5.648 -11.079 1.00 0.00 C ATOM 1776 O SER A 112 1.990 -6.289 -11.620 1.00 0.00 O ATOM 1777 CB SER A 112 4.337 -7.617 -10.449 1.00 0.00 C ATOM 1778 OG SER A 112 3.325 -8.604 -10.525 1.00 0.00 O ATOM 0 H SER A 112 2.165 -7.061 -8.891 1.00 0.00 H new ATOM 0 HA SER A 112 4.587 -5.596 -9.784 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.809 -7.499 -11.424 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.114 -7.939 -9.755 1.00 0.00 H new ATOM 0 HG SER A 112 2.541 -8.234 -10.982 1.00 0.00 H new ATOM 1784 N PHE A 113 3.159 -4.389 -11.378 1.00 0.00 N ATOM 1785 CA PHE A 113 2.396 -3.660 -12.379 1.00 0.00 C ATOM 1786 C PHE A 113 3.073 -3.750 -13.736 1.00 0.00 C ATOM 1787 O PHE A 113 4.286 -3.959 -13.815 1.00 0.00 O ATOM 1788 CB PHE A 113 2.261 -2.185 -11.991 1.00 0.00 C ATOM 1789 CG PHE A 113 1.515 -1.939 -10.713 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.142 -1.777 -10.723 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.190 -1.851 -9.507 1.00 0.00 C ATOM 1792 CE1 PHE A 113 -0.547 -1.533 -9.553 1.00 0.00 C ATOM 1793 CE2 PHE A 113 1.507 -1.607 -8.333 1.00 0.00 C ATOM 1794 CZ PHE A 113 0.136 -1.448 -8.356 1.00 0.00 C ATOM 0 H PHE A 113 3.903 -3.846 -10.939 1.00 0.00 H new ATOM 0 HA PHE A 113 1.406 -4.112 -12.433 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.258 -1.754 -11.902 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.755 -1.656 -12.799 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.397 -1.842 -11.657 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.263 -1.975 -9.485 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.620 -1.409 -9.573 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.044 -1.541 -7.398 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.402 -1.257 -7.439 1.00 0.00 H new