USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 628 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 18 ASN :FLIP amide:sc= -0.644 F(o=-2.3,f=-1.7) USER MOD Set 1.2: A 87 GLN : amide:sc= -1.01 K(o=-1.7,f=-3.6) USER MOD Set 2.1: A 80 MET CE :methyl -113:sc= -0.356 (180deg=-1.54) USER MOD Set 2.2: A 84 GLN :FLIP amide:sc= -0.207 F(o=-1.9,f=-0.56) USER MOD Set 3.1: A 26 GLN : amide:sc= -0.225 X(o=0.36,f=0.52) USER MOD Set 3.2: A 48 SER OG : rot 154:sc= 0.588 USER MOD Set 4.1: A 20 THR OG1 : rot -171:sc= -1.17 USER MOD Set 4.2: A 89 GLN : amide:sc=-0.00802 K(o=-1.2,f=-2.4) USER MOD Single : A 14 GLN : amide:sc= -2.1! C(o=-2.1!,f=-2.5!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -138:sc= 1.23 (180deg=-0.722) USER MOD Single : A 23 ASN : amide:sc= -1.05 X(o=-1,f=-1.3) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -36:sc= 0.0521 USER MOD Single : A 35 ASN : amide:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00138 USER MOD Single : A 44 MET CE :methyl -152:sc= -0.503 (180deg=-1.78) USER MOD Single : A 46 LYS NZ :NH3+ 141:sc= -0.441 (180deg=-1.64) USER MOD Single : A 52 ASN : amide:sc= -0.0893 X(o=-0.089,f=-0.35) USER MOD Single : A 53 THR OG1 : rot 38:sc= 0.179 USER MOD Single : A 55 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.25) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -19:sc= 1.1 USER MOD Single : A 63 ASN : amide:sc= -0.651 X(o=-0.65,f=-1.1!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.313 K(o=-0.31,f=-0.98) USER MOD Single : A 74 TYR OH : rot 180:sc= -3.62! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -1.01 K(o=-1,f=-1.9!) USER MOD Single : A 90 MET CE :methyl -108:sc= -0.492 (180deg=-1.53!) USER MOD Single : A 91 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.2) USER MOD Single : A 93 HIS : no HD1:sc= 0.524 K(o=0.52,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 154 N GLN A 14 -2.118 -10.126 8.909 1.00 0.00 N ATOM 155 CA GLN A 14 -0.773 -9.649 8.636 1.00 0.00 C ATOM 156 C GLN A 14 -0.492 -9.686 7.132 1.00 0.00 C ATOM 157 O GLN A 14 -0.196 -10.743 6.578 1.00 0.00 O ATOM 158 CB GLN A 14 0.266 -10.466 9.407 1.00 0.00 C ATOM 159 CG GLN A 14 0.138 -10.233 10.914 1.00 0.00 C ATOM 160 CD GLN A 14 1.263 -10.937 11.675 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.778 -11.963 11.264 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.614 -10.330 12.806 1.00 0.00 N ATOM 0 HA GLN A 14 -0.699 -8.616 8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.137 -11.526 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.268 -10.192 9.077 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.166 -9.164 11.124 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.827 -10.601 11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.142 -9.473 13.092 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.355 -10.722 13.386 1.00 0.00 H new ATOM 171 N VAL A 15 -0.595 -8.518 6.515 1.00 0.00 N ATOM 172 CA VAL A 15 -0.356 -8.403 5.086 1.00 0.00 C ATOM 173 C VAL A 15 1.047 -7.837 4.852 1.00 0.00 C ATOM 174 O VAL A 15 1.499 -6.964 5.591 1.00 0.00 O ATOM 175 CB VAL A 15 -1.456 -7.561 4.438 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.995 -6.998 3.092 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.745 -8.370 4.281 1.00 0.00 C ATOM 0 H VAL A 15 -0.841 -7.643 6.978 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.394 -9.384 4.612 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.666 -6.720 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.796 -6.403 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.117 -6.370 3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.743 -7.819 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.511 -7.748 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.554 -9.240 3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.089 -8.700 5.261 1.00 0.00 H new ATOM 187 N THR A 16 1.695 -8.358 3.821 1.00 0.00 N ATOM 188 CA THR A 16 3.037 -7.915 3.480 1.00 0.00 C ATOM 189 C THR A 16 2.985 -6.856 2.378 1.00 0.00 C ATOM 190 O THR A 16 2.708 -7.171 1.221 1.00 0.00 O ATOM 191 CB THR A 16 3.859 -9.148 3.099 1.00 0.00 C ATOM 192 OG1 THR A 16 3.743 -10.006 4.232 1.00 0.00 O ATOM 193 CG2 THR A 16 5.356 -8.849 3.010 1.00 0.00 C ATOM 0 H THR A 16 1.317 -9.082 3.211 1.00 0.00 H new ATOM 0 HA THR A 16 3.522 -7.432 4.329 1.00 0.00 H new ATOM 0 HB THR A 16 3.509 -9.536 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.245 -10.832 4.070 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.893 -9.757 2.737 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.530 -8.083 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.714 -8.493 3.976 1.00 0.00 H new ATOM 201 N LEU A 17 3.255 -5.621 2.775 1.00 0.00 N ATOM 202 CA LEU A 17 3.242 -4.513 1.835 1.00 0.00 C ATOM 203 C LEU A 17 4.652 -4.308 1.276 1.00 0.00 C ATOM 204 O LEU A 17 5.500 -3.702 1.928 1.00 0.00 O ATOM 205 CB LEU A 17 2.652 -3.262 2.489 1.00 0.00 C ATOM 206 CG LEU A 17 1.167 -3.330 2.850 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.690 -2.012 3.463 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.326 -3.736 1.638 1.00 0.00 C ATOM 0 H LEU A 17 3.484 -5.363 3.735 1.00 0.00 H new ATOM 0 HA LEU A 17 2.592 -4.739 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.217 -3.050 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.803 -2.418 1.815 1.00 0.00 H new ATOM 0 HG LEU A 17 1.035 -4.103 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.369 -2.088 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.260 -1.805 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.838 -1.203 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.726 -3.777 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.459 -3.004 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.645 -4.717 1.286 1.00 0.00 H new ATOM 220 N ASN A 18 4.858 -4.825 0.074 1.00 0.00 N ATOM 221 CA ASN A 18 6.150 -4.707 -0.581 1.00 0.00 C ATOM 222 C ASN A 18 6.202 -3.392 -1.362 1.00 0.00 C ATOM 223 O ASN A 18 5.649 -3.295 -2.457 1.00 0.00 O ATOM 224 CB ASN A 18 6.374 -5.853 -1.568 1.00 0.00 C ATOM 225 CG ASN A 18 6.019 -7.200 -0.934 1.00 0.00 C ATOM 226 OD1 ASN A 18 4.870 -7.713 -1.363 1.00 0.00 O flip ATOM 227 ND2 ASN A 18 6.742 -7.737 -0.111 1.00 0.00 N flip ATOM 0 H ASN A 18 4.152 -5.327 -0.464 1.00 0.00 H new ATOM 0 HA ASN A 18 6.922 -4.738 0.188 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.766 -5.695 -2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.415 -5.862 -1.890 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.612 -7.287 0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.477 -8.636 0.292 1.00 0.00 H new ATOM 234 N VAL A 19 6.872 -2.415 -0.770 1.00 0.00 N ATOM 235 CA VAL A 19 7.004 -1.111 -1.397 1.00 0.00 C ATOM 236 C VAL A 19 8.324 -1.051 -2.168 1.00 0.00 C ATOM 237 O VAL A 19 9.389 -1.286 -1.600 1.00 0.00 O ATOM 238 CB VAL A 19 6.876 -0.008 -0.344 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.069 1.374 -0.971 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.533 -0.098 0.384 1.00 0.00 C ATOM 0 H VAL A 19 7.330 -2.500 0.138 1.00 0.00 H new ATOM 0 HA VAL A 19 6.200 -0.950 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 19 7.666 -0.154 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.973 2.140 -0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.060 1.434 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.312 1.534 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.468 0.697 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.721 0.010 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.452 -1.065 0.880 1.00 0.00 H new ATOM 250 N THR A 20 8.210 -0.737 -3.450 1.00 0.00 N ATOM 251 CA THR A 20 9.381 -0.644 -4.305 1.00 0.00 C ATOM 252 C THR A 20 9.576 0.795 -4.788 1.00 0.00 C ATOM 253 O THR A 20 8.947 1.219 -5.756 1.00 0.00 O ATOM 254 CB THR A 20 9.216 -1.650 -5.445 1.00 0.00 C ATOM 255 OG1 THR A 20 9.637 -2.888 -4.879 1.00 0.00 O ATOM 256 CG2 THR A 20 10.204 -1.408 -6.588 1.00 0.00 C ATOM 0 H THR A 20 7.324 -0.544 -3.917 1.00 0.00 H new ATOM 0 HA THR A 20 10.290 -0.896 -3.759 1.00 0.00 H new ATOM 0 HB THR A 20 8.197 -1.599 -5.829 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.698 -3.566 -5.584 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.044 -2.150 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.050 -0.410 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.223 -1.492 -6.212 1.00 0.00 H new ATOM 264 N PHE A 21 10.450 1.506 -4.091 1.00 0.00 N ATOM 265 CA PHE A 21 10.736 2.888 -4.436 1.00 0.00 C ATOM 266 C PHE A 21 11.939 2.981 -5.377 1.00 0.00 C ATOM 267 O PHE A 21 13.081 2.820 -4.949 1.00 0.00 O ATOM 268 CB PHE A 21 11.067 3.616 -3.132 1.00 0.00 C ATOM 269 CG PHE A 21 11.361 5.107 -3.309 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.751 5.807 -4.302 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.231 5.733 -2.472 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.023 7.191 -4.467 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.504 7.117 -2.636 1.00 0.00 C ATOM 274 CZ PHE A 21 11.894 7.817 -3.630 1.00 0.00 C ATOM 0 H PHE A 21 10.970 1.151 -3.289 1.00 0.00 H new ATOM 0 HA PHE A 21 9.878 3.330 -4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.232 3.500 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.931 3.138 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.059 5.310 -4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.715 5.177 -1.682 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.539 7.746 -5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.196 7.614 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.101 8.870 -3.755 1.00 0.00 H new ATOM 284 N LYS A 22 11.642 3.239 -6.642 1.00 0.00 N ATOM 285 CA LYS A 22 12.685 3.355 -7.647 1.00 0.00 C ATOM 286 C LYS A 22 13.425 2.021 -7.764 1.00 0.00 C ATOM 287 O LYS A 22 13.015 1.144 -8.523 1.00 0.00 O ATOM 288 CB LYS A 22 13.600 4.541 -7.336 1.00 0.00 C ATOM 289 CG LYS A 22 12.824 5.859 -7.384 1.00 0.00 C ATOM 290 CD LYS A 22 13.712 7.033 -6.966 1.00 0.00 C ATOM 291 CE LYS A 22 14.162 6.890 -5.511 1.00 0.00 C ATOM 292 NZ LYS A 22 14.532 8.209 -4.951 1.00 0.00 N ATOM 0 H LYS A 22 10.694 3.371 -6.994 1.00 0.00 H new ATOM 0 HA LYS A 22 12.250 3.566 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.045 4.413 -6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.420 4.571 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.445 6.026 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.958 5.800 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.585 7.083 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.167 7.968 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.361 6.448 -4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.013 6.212 -5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.398 8.114 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.699 8.881 -5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.760 8.560 -4.349 1.00 0.00 H new ATOM 306 N ASN A 23 14.502 1.910 -7.001 1.00 0.00 N ATOM 307 CA ASN A 23 15.304 0.698 -7.009 1.00 0.00 C ATOM 308 C ASN A 23 15.337 0.104 -5.600 1.00 0.00 C ATOM 309 O ASN A 23 15.936 -0.948 -5.379 1.00 0.00 O ATOM 310 CB ASN A 23 16.744 0.993 -7.432 1.00 0.00 C ATOM 311 CG ASN A 23 17.638 -0.232 -7.224 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.294 -0.389 -6.208 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.628 -1.087 -8.243 1.00 0.00 N ATOM 0 H ASN A 23 14.838 2.640 -6.373 1.00 0.00 H new ATOM 0 HA ASN A 23 14.856 0.002 -7.718 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.765 1.290 -8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.132 1.833 -6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.193 -1.935 -8.203 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.055 -0.894 -9.065 1.00 0.00 H new ATOM 320 N GLU A 24 14.686 0.803 -4.682 1.00 0.00 N ATOM 321 CA GLU A 24 14.633 0.358 -3.300 1.00 0.00 C ATOM 322 C GLU A 24 13.376 -0.480 -3.060 1.00 0.00 C ATOM 323 O GLU A 24 12.281 -0.095 -3.466 1.00 0.00 O ATOM 324 CB GLU A 24 14.691 1.547 -2.338 1.00 0.00 C ATOM 325 CG GLU A 24 16.113 2.100 -2.235 1.00 0.00 C ATOM 326 CD GLU A 24 16.626 2.555 -3.603 1.00 0.00 C ATOM 327 OE1 GLU A 24 16.211 3.656 -4.027 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.420 1.792 -4.194 1.00 0.00 O ATOM 0 H GLU A 24 14.191 1.675 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 24 15.505 -0.267 -3.107 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.016 2.331 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.345 1.238 -1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.131 2.938 -1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.776 1.335 -1.830 1.00 0.00 H new ATOM 335 N ILE A 25 13.576 -1.612 -2.400 1.00 0.00 N ATOM 336 CA ILE A 25 12.472 -2.509 -2.101 1.00 0.00 C ATOM 337 C ILE A 25 12.317 -2.631 -0.584 1.00 0.00 C ATOM 338 O ILE A 25 13.281 -2.924 0.121 1.00 0.00 O ATOM 339 CB ILE A 25 12.665 -3.851 -2.810 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.587 -3.685 -4.329 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.668 -4.891 -2.295 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.584 -4.608 -5.033 1.00 0.00 C ATOM 0 H ILE A 25 14.486 -1.928 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 25 11.536 -2.104 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 25 13.664 -4.220 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.576 -3.907 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.794 -2.649 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.826 -5.836 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.815 -5.037 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.652 -4.542 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.508 -4.470 -6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.596 -4.367 -4.707 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.359 -5.645 -4.783 1.00 0.00 H new ATOM 354 N GLN A 26 11.095 -2.400 -0.126 1.00 0.00 N ATOM 355 CA GLN A 26 10.801 -2.481 1.295 1.00 0.00 C ATOM 356 C GLN A 26 9.557 -3.340 1.532 1.00 0.00 C ATOM 357 O GLN A 26 8.786 -3.590 0.607 1.00 0.00 O ATOM 358 CB GLN A 26 10.628 -1.086 1.899 1.00 0.00 C ATOM 359 CG GLN A 26 11.926 -0.606 2.552 1.00 0.00 C ATOM 360 CD GLN A 26 11.728 -0.358 4.049 1.00 0.00 C ATOM 361 OE1 GLN A 26 11.860 -1.246 4.875 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.403 0.896 4.350 1.00 0.00 N ATOM 0 H GLN A 26 10.297 -2.157 -0.714 1.00 0.00 H new ATOM 0 HA GLN A 26 11.646 -2.955 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.327 -0.384 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.829 -1.103 2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.709 -1.350 2.403 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.262 0.311 2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.309 1.590 3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.248 1.163 5.322 1.00 0.00 H new ATOM 371 N SER A 27 9.400 -3.767 2.776 1.00 0.00 N ATOM 372 CA SER A 27 8.263 -4.593 3.146 1.00 0.00 C ATOM 373 C SER A 27 7.727 -4.162 4.513 1.00 0.00 C ATOM 374 O SER A 27 8.500 -3.926 5.440 1.00 0.00 O ATOM 375 CB SER A 27 8.642 -6.075 3.167 1.00 0.00 C ATOM 376 OG SER A 27 7.805 -6.827 4.041 1.00 0.00 O ATOM 0 H SER A 27 10.041 -3.557 3.541 1.00 0.00 H new ATOM 0 HA SER A 27 7.483 -4.457 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.571 -6.482 2.158 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.681 -6.179 3.481 1.00 0.00 H new ATOM 0 HG SER A 27 8.078 -7.768 4.026 1.00 0.00 H new ATOM 382 N PHE A 28 6.408 -4.074 4.594 1.00 0.00 N ATOM 383 CA PHE A 28 5.759 -3.676 5.832 1.00 0.00 C ATOM 384 C PHE A 28 4.591 -4.607 6.163 1.00 0.00 C ATOM 385 O PHE A 28 3.667 -4.758 5.365 1.00 0.00 O ATOM 386 CB PHE A 28 5.222 -2.259 5.621 1.00 0.00 C ATOM 387 CG PHE A 28 6.292 -1.242 5.220 1.00 0.00 C ATOM 388 CD1 PHE A 28 7.114 -0.711 6.164 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.421 -0.868 3.919 1.00 0.00 C ATOM 390 CE1 PHE A 28 8.107 0.233 5.792 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.414 0.077 3.546 1.00 0.00 C ATOM 392 CZ PHE A 28 8.236 0.607 4.491 1.00 0.00 C ATOM 0 H PHE A 28 5.771 -4.271 3.823 1.00 0.00 H new ATOM 0 HA PHE A 28 6.471 -3.723 6.656 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.452 -2.284 4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.742 -1.923 6.540 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.011 -1.008 7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.768 -1.290 3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.760 0.654 6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.516 0.374 2.513 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.991 1.325 4.208 1.00 0.00 H new ATOM 402 N LEU A 29 4.670 -5.208 7.341 1.00 0.00 N ATOM 403 CA LEU A 29 3.631 -6.121 7.787 1.00 0.00 C ATOM 404 C LEU A 29 2.517 -5.324 8.469 1.00 0.00 C ATOM 405 O LEU A 29 2.788 -4.445 9.286 1.00 0.00 O ATOM 406 CB LEU A 29 4.226 -7.222 8.667 1.00 0.00 C ATOM 407 CG LEU A 29 3.304 -8.401 8.981 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.221 -9.364 7.794 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.739 -9.111 10.265 1.00 0.00 C ATOM 0 H LEU A 29 5.438 -5.081 8.001 1.00 0.00 H new ATOM 0 HA LEU A 29 3.183 -6.633 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.121 -7.607 8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.545 -6.775 9.609 1.00 0.00 H new ATOM 0 HG LEU A 29 2.300 -8.013 9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.559 -10.193 8.044 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.829 -8.836 6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.215 -9.749 7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.067 -9.945 10.465 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.756 -9.485 10.147 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.705 -8.409 11.098 1.00 0.00 H new ATOM 421 N VAL A 30 1.287 -5.659 8.107 1.00 0.00 N ATOM 422 CA VAL A 30 0.131 -4.985 8.674 1.00 0.00 C ATOM 423 C VAL A 30 -0.804 -6.024 9.297 1.00 0.00 C ATOM 424 O VAL A 30 -1.601 -6.647 8.597 1.00 0.00 O ATOM 425 CB VAL A 30 -0.553 -4.131 7.604 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.417 -3.042 8.243 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.474 -3.525 6.646 1.00 0.00 C ATOM 0 H VAL A 30 1.066 -6.388 7.429 1.00 0.00 H new ATOM 0 HA VAL A 30 0.437 -4.304 9.468 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.208 -4.781 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.892 -2.449 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.184 -3.504 8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.791 -2.396 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.039 -2.923 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.166 -2.895 7.205 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.028 -4.324 6.153 1.00 0.00 H new ATOM 437 N SER A 31 -0.675 -6.178 10.607 1.00 0.00 N ATOM 438 CA SER A 31 -1.498 -7.130 11.333 1.00 0.00 C ATOM 439 C SER A 31 -2.938 -6.621 11.416 1.00 0.00 C ATOM 440 O SER A 31 -3.848 -7.374 11.757 1.00 0.00 O ATOM 441 CB SER A 31 -0.942 -7.382 12.736 1.00 0.00 C ATOM 442 OG SER A 31 -1.578 -8.487 13.372 1.00 0.00 O ATOM 0 H SER A 31 -0.013 -5.659 11.184 1.00 0.00 H new ATOM 0 HA SER A 31 -1.485 -8.076 10.791 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.130 -7.568 12.673 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.075 -6.488 13.345 1.00 0.00 H new ATOM 0 HG SER A 31 -2.524 -8.511 13.118 1.00 0.00 H new ATOM 448 N ASP A 32 -3.100 -5.344 11.098 1.00 0.00 N ATOM 449 CA ASP A 32 -4.413 -4.725 11.133 1.00 0.00 C ATOM 450 C ASP A 32 -4.564 -3.791 9.931 1.00 0.00 C ATOM 451 O ASP A 32 -4.587 -2.571 10.087 1.00 0.00 O ATOM 452 CB ASP A 32 -4.597 -3.893 12.404 1.00 0.00 C ATOM 453 CG ASP A 32 -3.907 -4.454 13.649 1.00 0.00 C ATOM 454 OD1 ASP A 32 -4.028 -5.680 13.861 1.00 0.00 O ATOM 455 OD2 ASP A 32 -3.275 -3.644 14.361 1.00 0.00 O ATOM 0 H ASP A 32 -2.343 -4.722 10.815 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.160 -5.518 11.110 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.219 -2.887 12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.664 -3.801 12.609 1.00 0.00 H new ATOM 460 N PRO A 33 -4.666 -4.415 8.727 1.00 0.00 N ATOM 461 CA PRO A 33 -4.814 -3.653 7.499 1.00 0.00 C ATOM 462 C PRO A 33 -6.232 -3.094 7.367 1.00 0.00 C ATOM 463 O PRO A 33 -6.438 -2.057 6.740 1.00 0.00 O ATOM 464 CB PRO A 33 -4.453 -4.625 6.387 1.00 0.00 C ATOM 465 CG PRO A 33 -4.568 -6.014 6.994 1.00 0.00 C ATOM 466 CD PRO A 33 -4.643 -5.858 8.504 1.00 0.00 C ATOM 0 HA PRO A 33 -4.168 -2.775 7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.126 -4.513 5.537 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.443 -4.441 6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.456 -6.522 6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.709 -6.625 6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.536 -6.335 8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.786 -6.321 8.993 1.00 0.00 H new ATOM 474 N GLU A 34 -7.173 -3.807 7.970 1.00 0.00 N ATOM 475 CA GLU A 34 -8.565 -3.395 7.929 1.00 0.00 C ATOM 476 C GLU A 34 -8.845 -2.359 9.019 1.00 0.00 C ATOM 477 O GLU A 34 -9.756 -1.543 8.886 1.00 0.00 O ATOM 478 CB GLU A 34 -9.498 -4.600 8.065 1.00 0.00 C ATOM 479 CG GLU A 34 -9.381 -5.524 6.851 1.00 0.00 C ATOM 480 CD GLU A 34 -10.761 -5.995 6.386 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.229 -7.013 6.939 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.315 -5.326 5.487 1.00 0.00 O ATOM 0 H GLU A 34 -6.998 -4.667 8.489 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.758 -2.935 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.254 -5.153 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.528 -4.257 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.878 -5.000 6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.764 -6.387 7.104 1.00 0.00 H new ATOM 489 N ASN A 35 -8.045 -2.425 10.073 1.00 0.00 N ATOM 490 CA ASN A 35 -8.195 -1.503 11.185 1.00 0.00 C ATOM 491 C ASN A 35 -7.440 -0.209 10.875 1.00 0.00 C ATOM 492 O ASN A 35 -7.982 0.884 11.035 1.00 0.00 O ATOM 493 CB ASN A 35 -7.613 -2.092 12.472 1.00 0.00 C ATOM 494 CG ASN A 35 -8.483 -1.738 13.680 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.106 -0.963 14.543 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.665 -2.347 13.692 1.00 0.00 N ATOM 0 H ASN A 35 -7.291 -3.103 10.180 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.259 -1.314 11.324 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.538 -3.175 12.379 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.602 -1.714 12.624 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.319 -2.176 14.456 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.918 -2.985 12.937 1.00 0.00 H new ATOM 503 N THR A 36 -6.201 -0.375 10.437 1.00 0.00 N ATOM 504 CA THR A 36 -5.366 0.767 10.102 1.00 0.00 C ATOM 505 C THR A 36 -5.972 1.547 8.934 1.00 0.00 C ATOM 506 O THR A 36 -6.891 1.066 8.272 1.00 0.00 O ATOM 507 CB THR A 36 -3.953 0.253 9.821 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.120 1.389 10.037 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.737 -0.092 8.346 1.00 0.00 C ATOM 0 H THR A 36 -5.755 -1.283 10.306 1.00 0.00 H new ATOM 0 HA THR A 36 -5.312 1.474 10.930 1.00 0.00 H new ATOM 0 HB THR A 36 -3.761 -0.629 10.432 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.185 1.144 9.878 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.718 -0.452 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.442 -0.868 8.047 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.897 0.798 7.737 1.00 0.00 H new ATOM 517 N THR A 37 -5.434 2.738 8.717 1.00 0.00 N ATOM 518 CA THR A 37 -5.910 3.589 7.640 1.00 0.00 C ATOM 519 C THR A 37 -4.839 3.728 6.556 1.00 0.00 C ATOM 520 O THR A 37 -3.647 3.623 6.840 1.00 0.00 O ATOM 521 CB THR A 37 -6.336 4.927 8.248 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.146 5.430 8.849 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.302 4.756 9.422 1.00 0.00 C ATOM 0 H THR A 37 -4.673 3.134 9.269 1.00 0.00 H new ATOM 0 HA THR A 37 -6.775 3.151 7.143 1.00 0.00 H new ATOM 0 HB THR A 37 -6.804 5.542 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.331 6.297 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.572 5.736 9.816 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.200 4.241 9.082 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.822 4.169 10.205 1.00 0.00 H new ATOM 531 N TRP A 38 -5.303 3.962 5.337 1.00 0.00 N ATOM 532 CA TRP A 38 -4.400 4.116 4.210 1.00 0.00 C ATOM 533 C TRP A 38 -3.457 5.282 4.515 1.00 0.00 C ATOM 534 O TRP A 38 -2.270 5.224 4.198 1.00 0.00 O ATOM 535 CB TRP A 38 -5.178 4.302 2.906 1.00 0.00 C ATOM 536 CG TRP A 38 -4.333 4.840 1.748 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.532 5.953 1.029 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.140 4.238 1.203 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.559 6.112 0.064 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.686 5.036 0.173 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.468 3.058 1.567 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.541 4.741 -0.577 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.325 2.778 0.808 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.854 3.571 -0.232 1.00 0.00 C ATOM 0 H TRP A 38 -6.293 4.049 5.106 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.804 3.215 4.068 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.610 3.345 2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.008 4.985 3.085 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.351 6.639 1.185 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.493 6.878 -0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.806 2.418 2.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.206 5.382 -1.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.770 1.883 1.048 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.037 3.286 -0.771 1.00 0.00 H new ATOM 555 N ALA A 39 -4.021 6.313 5.127 1.00 0.00 N ATOM 556 CA ALA A 39 -3.246 7.490 5.478 1.00 0.00 C ATOM 557 C ALA A 39 -2.058 7.072 6.348 1.00 0.00 C ATOM 558 O ALA A 39 -0.981 7.661 6.259 1.00 0.00 O ATOM 559 CB ALA A 39 -4.150 8.507 6.177 1.00 0.00 C ATOM 0 H ALA A 39 -5.006 6.357 5.389 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.848 7.968 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.568 9.390 6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.961 8.793 5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.565 8.063 7.082 1.00 0.00 H new ATOM 565 N ASP A 40 -2.294 6.059 7.169 1.00 0.00 N ATOM 566 CA ASP A 40 -1.257 5.556 8.053 1.00 0.00 C ATOM 567 C ASP A 40 -0.227 4.776 7.233 1.00 0.00 C ATOM 568 O ASP A 40 0.887 4.536 7.695 1.00 0.00 O ATOM 569 CB ASP A 40 -1.840 4.608 9.103 1.00 0.00 C ATOM 570 CG ASP A 40 -1.964 5.198 10.509 1.00 0.00 C ATOM 571 OD1 ASP A 40 -2.026 6.443 10.599 1.00 0.00 O ATOM 572 OD2 ASP A 40 -1.992 4.391 11.463 1.00 0.00 O ATOM 0 H ASP A 40 -3.188 5.573 7.240 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.797 6.409 8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.827 4.286 8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.215 3.717 9.153 1.00 0.00 H new ATOM 577 N ILE A 41 -0.637 4.402 6.030 1.00 0.00 N ATOM 578 CA ILE A 41 0.236 3.654 5.141 1.00 0.00 C ATOM 579 C ILE A 41 0.995 4.629 4.239 1.00 0.00 C ATOM 580 O ILE A 41 2.206 4.504 4.064 1.00 0.00 O ATOM 581 CB ILE A 41 -0.560 2.598 4.372 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.450 1.787 5.315 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.369 1.703 3.549 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.621 0.794 6.133 1.00 0.00 C ATOM 0 H ILE A 41 -1.562 4.603 5.650 1.00 0.00 H new ATOM 0 HA ILE A 41 0.982 3.103 5.714 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.218 3.111 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.984 2.460 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.203 1.249 4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.222 0.961 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.922 2.312 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.070 1.197 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.278 0.230 6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.108 0.107 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.114 1.337 6.727 1.00 0.00 H new ATOM 596 N GLU A 42 0.252 5.579 3.691 1.00 0.00 N ATOM 597 CA GLU A 42 0.840 6.576 2.812 1.00 0.00 C ATOM 598 C GLU A 42 1.943 7.344 3.543 1.00 0.00 C ATOM 599 O GLU A 42 3.040 7.515 3.014 1.00 0.00 O ATOM 600 CB GLU A 42 -0.227 7.530 2.273 1.00 0.00 C ATOM 601 CG GLU A 42 0.184 8.103 0.915 1.00 0.00 C ATOM 602 CD GLU A 42 -0.983 8.063 -0.074 1.00 0.00 C ATOM 603 OE1 GLU A 42 -2.119 8.321 0.379 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.712 7.775 -1.260 1.00 0.00 O ATOM 0 H GLU A 42 -0.752 5.680 3.839 1.00 0.00 H new ATOM 0 HA GLU A 42 1.285 6.063 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.176 7.003 2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.384 8.343 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.525 9.131 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.023 7.534 0.515 1.00 0.00 H new ATOM 611 N ALA A 43 1.614 7.786 4.748 1.00 0.00 N ATOM 612 CA ALA A 43 2.563 8.532 5.556 1.00 0.00 C ATOM 613 C ALA A 43 3.666 7.588 6.040 1.00 0.00 C ATOM 614 O ALA A 43 4.822 7.991 6.163 1.00 0.00 O ATOM 615 CB ALA A 43 1.826 9.209 6.714 1.00 0.00 C ATOM 0 H ALA A 43 0.703 7.642 5.184 1.00 0.00 H new ATOM 0 HA ALA A 43 3.036 9.317 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.538 9.769 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.073 9.890 6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.342 8.451 7.330 1.00 0.00 H new ATOM 621 N MET A 44 3.270 6.351 6.302 1.00 0.00 N ATOM 622 CA MET A 44 4.211 5.347 6.769 1.00 0.00 C ATOM 623 C MET A 44 5.349 5.153 5.766 1.00 0.00 C ATOM 624 O MET A 44 6.518 5.323 6.107 1.00 0.00 O ATOM 625 CB MET A 44 3.480 4.019 6.977 1.00 0.00 C ATOM 626 CG MET A 44 4.451 2.840 6.895 1.00 0.00 C ATOM 627 SD MET A 44 3.834 1.473 7.862 1.00 0.00 S ATOM 628 CE MET A 44 2.792 0.680 6.650 1.00 0.00 C ATOM 0 H MET A 44 2.310 6.021 6.200 1.00 0.00 H new ATOM 0 HA MET A 44 4.638 5.688 7.712 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.985 4.020 7.948 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.701 3.906 6.223 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.577 2.534 5.857 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.433 3.141 7.260 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.982 0.154 7.155 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.375 1.432 5.981 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.382 -0.032 6.073 1.00 0.00 H new ATOM 638 N VAL A 45 4.967 4.798 4.548 1.00 0.00 N ATOM 639 CA VAL A 45 5.941 4.578 3.492 1.00 0.00 C ATOM 640 C VAL A 45 6.757 5.855 3.283 1.00 0.00 C ATOM 641 O VAL A 45 7.970 5.795 3.085 1.00 0.00 O ATOM 642 CB VAL A 45 5.235 4.105 2.219 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.232 3.932 1.072 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.459 2.811 2.471 1.00 0.00 C ATOM 0 H VAL A 45 3.996 4.657 4.269 1.00 0.00 H new ATOM 0 HA VAL A 45 6.638 3.789 3.774 1.00 0.00 H new ATOM 0 HB VAL A 45 4.519 4.873 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.705 3.595 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.720 4.885 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.983 3.192 1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.967 2.497 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.147 2.032 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.709 2.981 3.244 1.00 0.00 H new ATOM 654 N LYS A 46 6.060 6.980 3.335 1.00 0.00 N ATOM 655 CA LYS A 46 6.705 8.270 3.155 1.00 0.00 C ATOM 656 C LYS A 46 7.908 8.370 4.096 1.00 0.00 C ATOM 657 O LYS A 46 9.054 8.343 3.649 1.00 0.00 O ATOM 658 CB LYS A 46 5.693 9.404 3.327 1.00 0.00 C ATOM 659 CG LYS A 46 5.371 10.060 1.983 1.00 0.00 C ATOM 660 CD LYS A 46 3.862 10.252 1.815 1.00 0.00 C ATOM 661 CE LYS A 46 3.273 11.028 2.995 1.00 0.00 C ATOM 662 NZ LYS A 46 1.843 10.693 3.172 1.00 0.00 N ATOM 0 H LYS A 46 5.054 7.025 3.499 1.00 0.00 H new ATOM 0 HA LYS A 46 7.086 8.367 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.778 9.015 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.091 10.151 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.874 11.025 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.755 9.442 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.661 10.787 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.375 9.280 1.735 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.824 10.791 3.905 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.384 12.099 2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.624 10.631 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.257 11.433 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.642 9.779 2.718 1.00 0.00 H new ATOM 676 N VAL A 47 7.605 8.482 5.381 1.00 0.00 N ATOM 677 CA VAL A 47 8.647 8.586 6.388 1.00 0.00 C ATOM 678 C VAL A 47 9.648 7.445 6.200 1.00 0.00 C ATOM 679 O VAL A 47 10.858 7.662 6.243 1.00 0.00 O ATOM 680 CB VAL A 47 8.023 8.610 7.785 1.00 0.00 C ATOM 681 CG1 VAL A 47 7.081 9.806 7.945 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.297 7.297 8.084 1.00 0.00 C ATOM 0 H VAL A 47 6.653 8.503 5.748 1.00 0.00 H new ATOM 0 HA VAL A 47 9.196 9.521 6.275 1.00 0.00 H new ATOM 0 HB VAL A 47 8.830 8.720 8.510 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.651 9.799 8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.638 10.731 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.282 9.741 7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.863 7.341 9.083 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.505 7.144 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.005 6.470 8.032 1.00 0.00 H new ATOM 692 N SER A 48 9.107 6.253 5.997 1.00 0.00 N ATOM 693 CA SER A 48 9.938 5.077 5.802 1.00 0.00 C ATOM 694 C SER A 48 11.158 5.433 4.951 1.00 0.00 C ATOM 695 O SER A 48 12.281 5.053 5.279 1.00 0.00 O ATOM 696 CB SER A 48 9.145 3.945 5.145 1.00 0.00 C ATOM 697 OG SER A 48 9.238 2.730 5.884 1.00 0.00 O ATOM 0 H SER A 48 8.103 6.076 5.963 1.00 0.00 H new ATOM 0 HA SER A 48 10.274 4.730 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.099 4.238 5.059 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.515 3.783 4.133 1.00 0.00 H new ATOM 0 HG SER A 48 8.445 2.181 5.712 1.00 0.00 H new ATOM 703 N PHE A 49 10.897 6.160 3.874 1.00 0.00 N ATOM 704 CA PHE A 49 11.960 6.572 2.973 1.00 0.00 C ATOM 705 C PHE A 49 12.333 8.038 3.201 1.00 0.00 C ATOM 706 O PHE A 49 13.371 8.499 2.727 1.00 0.00 O ATOM 707 CB PHE A 49 11.428 6.408 1.548 1.00 0.00 C ATOM 708 CG PHE A 49 11.304 4.953 1.094 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.392 4.297 0.608 1.00 0.00 C ATOM 710 CD2 PHE A 49 10.105 4.315 1.175 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.277 2.946 0.186 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.990 2.964 0.753 1.00 0.00 C ATOM 713 CZ PHE A 49 11.078 2.308 0.268 1.00 0.00 C ATOM 0 H PHE A 49 9.965 6.474 3.605 1.00 0.00 H new ATOM 0 HA PHE A 49 12.850 5.967 3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.450 6.884 1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.089 6.937 0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.344 4.804 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.241 4.836 1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.141 2.425 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.038 2.457 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.990 1.280 -0.052 1.00 0.00 H new ATOM 723 N ASP A 50 11.467 8.731 3.925 1.00 0.00 N ATOM 724 CA ASP A 50 11.692 10.135 4.220 1.00 0.00 C ATOM 725 C ASP A 50 11.236 10.982 3.031 1.00 0.00 C ATOM 726 O ASP A 50 12.007 11.780 2.500 1.00 0.00 O ATOM 727 CB ASP A 50 13.177 10.417 4.459 1.00 0.00 C ATOM 728 CG ASP A 50 13.472 11.648 5.317 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.724 11.849 6.298 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.439 12.362 4.973 1.00 0.00 O ATOM 0 H ASP A 50 10.607 8.346 4.316 1.00 0.00 H new ATOM 0 HA ASP A 50 11.128 10.384 5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.625 9.545 4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.668 10.540 3.494 1.00 0.00 H new ATOM 735 N LEU A 51 9.984 10.780 2.647 1.00 0.00 N ATOM 736 CA LEU A 51 9.416 11.515 1.529 1.00 0.00 C ATOM 737 C LEU A 51 8.248 12.369 2.027 1.00 0.00 C ATOM 738 O LEU A 51 7.571 12.003 2.987 1.00 0.00 O ATOM 739 CB LEU A 51 9.039 10.559 0.396 1.00 0.00 C ATOM 740 CG LEU A 51 10.025 9.423 0.120 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.292 8.153 -0.317 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.085 9.852 -0.897 1.00 0.00 C ATOM 0 H LEU A 51 9.347 10.118 3.090 1.00 0.00 H new ATOM 0 HA LEU A 51 10.154 12.197 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.067 10.122 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.920 11.140 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 51 10.545 9.190 1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.017 7.361 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.609 7.838 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.728 8.354 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.773 9.026 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.600 10.129 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.638 10.707 -0.508 1.00 0.00 H new ATOM 754 N ASN A 52 8.049 13.492 1.353 1.00 0.00 N ATOM 755 CA ASN A 52 6.975 14.402 1.715 1.00 0.00 C ATOM 756 C ASN A 52 5.660 13.894 1.120 1.00 0.00 C ATOM 757 O ASN A 52 4.746 13.521 1.853 1.00 0.00 O ATOM 758 CB ASN A 52 7.233 15.806 1.164 1.00 0.00 C ATOM 759 CG ASN A 52 7.382 16.821 2.299 1.00 0.00 C ATOM 760 OD1 ASN A 52 6.660 16.803 3.282 1.00 0.00 O ATOM 761 ND2 ASN A 52 8.356 17.706 2.108 1.00 0.00 N ATOM 0 H ASN A 52 8.613 13.793 0.558 1.00 0.00 H new ATOM 0 HA ASN A 52 6.923 14.446 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.137 15.801 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.411 16.102 0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.535 18.426 2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.924 17.665 1.262 1.00 0.00 H new ATOM 768 N THR A 53 5.607 13.897 -0.204 1.00 0.00 N ATOM 769 CA THR A 53 4.419 13.442 -0.906 1.00 0.00 C ATOM 770 C THR A 53 4.780 12.343 -1.908 1.00 0.00 C ATOM 771 O THR A 53 5.675 12.520 -2.733 1.00 0.00 O ATOM 772 CB THR A 53 3.756 14.660 -1.553 1.00 0.00 C ATOM 773 OG1 THR A 53 4.823 15.316 -2.232 1.00 0.00 O ATOM 774 CG2 THR A 53 3.284 15.686 -0.521 1.00 0.00 C ATOM 0 H THR A 53 6.367 14.207 -0.809 1.00 0.00 H new ATOM 0 HA THR A 53 3.703 12.990 -0.220 1.00 0.00 H new ATOM 0 HB THR A 53 2.908 14.335 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.425 14.647 -2.619 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.821 16.530 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.557 15.223 0.146 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.137 16.037 0.060 1.00 0.00 H new ATOM 782 N ILE A 54 4.065 11.233 -1.803 1.00 0.00 N ATOM 783 CA ILE A 54 4.299 10.106 -2.689 1.00 0.00 C ATOM 784 C ILE A 54 2.965 9.636 -3.273 1.00 0.00 C ATOM 785 O ILE A 54 1.903 10.090 -2.849 1.00 0.00 O ATOM 786 CB ILE A 54 5.074 9.004 -1.963 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.202 8.330 -0.901 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.377 9.548 -1.373 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.990 7.259 -0.144 1.00 0.00 C ATOM 0 H ILE A 54 3.323 11.090 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 54 4.927 10.406 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 54 5.344 8.239 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.833 9.078 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.330 7.879 -1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.909 8.745 -0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.001 9.945 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.151 10.342 -0.662 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.347 6.796 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.337 6.499 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.848 7.718 0.348 1.00 0.00 H new ATOM 801 N GLN A 55 3.063 8.733 -4.238 1.00 0.00 N ATOM 802 CA GLN A 55 1.877 8.198 -4.885 1.00 0.00 C ATOM 803 C GLN A 55 2.003 6.682 -5.052 1.00 0.00 C ATOM 804 O GLN A 55 2.041 6.179 -6.174 1.00 0.00 O ATOM 805 CB GLN A 55 1.632 8.880 -6.232 1.00 0.00 C ATOM 806 CG GLN A 55 0.140 8.904 -6.571 1.00 0.00 C ATOM 807 CD GLN A 55 -0.611 9.888 -5.671 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.404 11.089 -5.713 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.492 9.313 -4.858 1.00 0.00 N ATOM 0 H GLN A 55 3.945 8.359 -4.587 1.00 0.00 H new ATOM 0 HA GLN A 55 1.016 8.404 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.019 9.899 -6.204 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.178 8.354 -7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.005 9.185 -7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.280 7.905 -6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.616 8.301 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.044 9.884 -4.218 1.00 0.00 H new ATOM 818 N ILE A 56 2.064 5.996 -3.920 1.00 0.00 N ATOM 819 CA ILE A 56 2.184 4.548 -3.928 1.00 0.00 C ATOM 820 C ILE A 56 1.310 3.974 -5.044 1.00 0.00 C ATOM 821 O ILE A 56 0.312 4.580 -5.430 1.00 0.00 O ATOM 822 CB ILE A 56 1.868 3.977 -2.544 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.876 4.471 -1.504 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.790 2.450 -2.586 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.203 4.682 -0.146 1.00 0.00 C ATOM 0 H ILE A 56 2.033 6.416 -2.991 1.00 0.00 H new ATOM 0 HA ILE A 56 3.211 4.252 -4.143 1.00 0.00 H new ATOM 0 HB ILE A 56 0.887 4.341 -2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.685 3.748 -1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.324 5.406 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.564 2.070 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.005 2.145 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.745 2.046 -2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.941 5.033 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.410 5.424 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.778 3.740 0.200 1.00 0.00 H new ATOM 837 N LYS A 57 1.718 2.811 -5.532 1.00 0.00 N ATOM 838 CA LYS A 57 0.984 2.148 -6.597 1.00 0.00 C ATOM 839 C LYS A 57 1.186 0.636 -6.484 1.00 0.00 C ATOM 840 O LYS A 57 2.313 0.149 -6.557 1.00 0.00 O ATOM 841 CB LYS A 57 1.381 2.722 -7.959 1.00 0.00 C ATOM 842 CG LYS A 57 0.729 4.086 -8.190 1.00 0.00 C ATOM 843 CD LYS A 57 0.319 4.257 -9.654 1.00 0.00 C ATOM 844 CE LYS A 57 0.209 5.738 -10.023 1.00 0.00 C ATOM 845 NZ LYS A 57 -0.892 5.951 -10.988 1.00 0.00 N ATOM 0 H LYS A 57 2.547 2.311 -5.210 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.085 2.336 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.465 2.819 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.082 2.033 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.147 4.188 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.424 4.877 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.051 3.771 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.637 3.763 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.033 6.330 -9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.149 6.083 -10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.953 6.961 -11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.708 5.401 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.790 5.641 -10.564 1.00 0.00 H new ATOM 859 N TYR A 58 0.076 -0.066 -6.308 1.00 0.00 N ATOM 860 CA TYR A 58 0.117 -1.513 -6.184 1.00 0.00 C ATOM 861 C TYR A 58 -0.438 -2.186 -7.441 1.00 0.00 C ATOM 862 O TYR A 58 -1.369 -1.677 -8.063 1.00 0.00 O ATOM 863 CB TYR A 58 -0.782 -1.860 -4.996 1.00 0.00 C ATOM 864 CG TYR A 58 -2.269 -1.942 -5.343 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.771 -3.065 -5.969 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.110 -0.893 -5.031 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.171 -3.143 -6.297 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.510 -0.971 -5.358 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.972 -2.091 -5.974 1.00 0.00 C ATOM 870 OH TYR A 58 -6.294 -2.164 -6.283 1.00 0.00 O ATOM 0 H TYR A 58 -0.857 0.341 -6.248 1.00 0.00 H new ATOM 0 HA TYR A 58 1.142 -1.858 -6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.464 -2.816 -4.580 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.642 -1.111 -4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.113 -3.886 -6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.718 -0.014 -4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.576 -4.016 -6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.179 -0.157 -5.119 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.432 -2.850 -6.969 1.00 0.00 H new ATOM 880 N LEU A 59 0.158 -3.321 -7.778 1.00 0.00 N ATOM 881 CA LEU A 59 -0.265 -4.070 -8.949 1.00 0.00 C ATOM 882 C LEU A 59 -1.505 -4.895 -8.601 1.00 0.00 C ATOM 883 O LEU A 59 -1.489 -5.677 -7.652 1.00 0.00 O ATOM 884 CB LEU A 59 0.894 -4.903 -9.499 1.00 0.00 C ATOM 885 CG LEU A 59 1.840 -4.183 -10.462 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.790 -5.173 -11.140 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.057 -3.351 -11.481 1.00 0.00 C ATOM 0 H LEU A 59 0.931 -3.740 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.549 -3.391 -9.753 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.478 -5.276 -8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.480 -5.772 -10.010 1.00 0.00 H new ATOM 0 HG LEU A 59 2.453 -3.491 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.452 -4.635 -11.819 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.385 -5.684 -10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.211 -5.906 -11.702 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.753 -2.850 -12.153 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.402 -4.004 -12.058 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.457 -2.606 -10.958 1.00 0.00 H new ATOM 899 N ASP A 60 -2.551 -4.693 -9.389 1.00 0.00 N ATOM 900 CA ASP A 60 -3.798 -5.409 -9.176 1.00 0.00 C ATOM 901 C ASP A 60 -3.695 -6.800 -9.805 1.00 0.00 C ATOM 902 O ASP A 60 -2.598 -7.330 -9.973 1.00 0.00 O ATOM 903 CB ASP A 60 -4.971 -4.679 -9.833 1.00 0.00 C ATOM 904 CG ASP A 60 -6.226 -4.560 -8.966 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.892 -5.603 -8.787 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.490 -3.430 -8.502 1.00 0.00 O ATOM 0 H ASP A 60 -2.561 -4.044 -10.176 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.970 -5.475 -8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.645 -3.677 -10.113 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.232 -5.199 -10.755 1.00 0.00 H new ATOM 911 N GLU A 61 -4.853 -7.352 -10.134 1.00 0.00 N ATOM 912 CA GLU A 61 -4.908 -8.672 -10.740 1.00 0.00 C ATOM 913 C GLU A 61 -4.733 -8.567 -12.257 1.00 0.00 C ATOM 914 O GLU A 61 -5.002 -9.523 -12.983 1.00 0.00 O ATOM 915 CB GLU A 61 -6.215 -9.384 -10.387 1.00 0.00 C ATOM 916 CG GLU A 61 -6.198 -9.874 -8.937 1.00 0.00 C ATOM 917 CD GLU A 61 -6.772 -11.288 -8.830 1.00 0.00 C ATOM 918 OE1 GLU A 61 -7.899 -11.483 -9.333 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.069 -12.142 -8.247 1.00 0.00 O ATOM 0 H GLU A 61 -5.761 -6.910 -9.993 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.088 -9.269 -10.339 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.055 -8.705 -10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.366 -10.229 -11.059 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.176 -9.863 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.778 -9.194 -8.313 1.00 0.00 H new ATOM 926 N GLU A 62 -4.285 -7.398 -12.689 1.00 0.00 N ATOM 927 CA GLU A 62 -4.071 -7.156 -14.106 1.00 0.00 C ATOM 928 C GLU A 62 -2.628 -6.715 -14.358 1.00 0.00 C ATOM 929 O GLU A 62 -2.241 -6.467 -15.498 1.00 0.00 O ATOM 930 CB GLU A 62 -5.062 -6.121 -14.641 1.00 0.00 C ATOM 931 CG GLU A 62 -6.488 -6.442 -14.190 1.00 0.00 C ATOM 932 CD GLU A 62 -7.367 -6.826 -15.382 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.190 -7.961 -15.875 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.197 -5.976 -15.772 1.00 0.00 O ATOM 0 H GLU A 62 -4.064 -6.608 -12.083 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.244 -8.088 -14.644 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.781 -5.128 -14.290 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.018 -6.099 -15.730 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.470 -7.259 -13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.916 -5.578 -13.682 1.00 0.00 H new ATOM 941 N ASN A 63 -1.871 -6.630 -13.273 1.00 0.00 N ATOM 942 CA ASN A 63 -0.479 -6.223 -13.362 1.00 0.00 C ATOM 943 C ASN A 63 -0.409 -4.727 -13.676 1.00 0.00 C ATOM 944 O ASN A 63 0.578 -4.253 -14.236 1.00 0.00 O ATOM 945 CB ASN A 63 0.245 -6.975 -14.480 1.00 0.00 C ATOM 946 CG ASN A 63 1.702 -7.250 -14.103 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.511 -6.350 -13.949 1.00 0.00 O ATOM 948 ND2 ASN A 63 1.990 -8.541 -13.962 1.00 0.00 N ATOM 0 H ASN A 63 -2.196 -6.836 -12.328 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.001 -6.447 -12.409 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.266 -7.917 -14.680 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.208 -6.391 -15.399 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.936 -8.828 -13.710 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.265 -9.244 -14.106 1.00 0.00 H new ATOM 955 N GLU A 64 -1.469 -4.026 -13.302 1.00 0.00 N ATOM 956 CA GLU A 64 -1.540 -2.594 -13.536 1.00 0.00 C ATOM 957 C GLU A 64 -1.375 -1.831 -12.220 1.00 0.00 C ATOM 958 O GLU A 64 -2.084 -2.097 -11.251 1.00 0.00 O ATOM 959 CB GLU A 64 -2.851 -2.216 -14.228 1.00 0.00 C ATOM 960 CG GLU A 64 -2.761 -2.446 -15.738 1.00 0.00 C ATOM 961 CD GLU A 64 -4.025 -1.952 -16.444 1.00 0.00 C ATOM 962 OE1 GLU A 64 -4.968 -2.765 -16.554 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.019 -0.773 -16.859 1.00 0.00 O ATOM 0 H GLU A 64 -2.286 -4.423 -12.838 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.722 -2.314 -14.200 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.668 -2.807 -13.815 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.083 -1.170 -14.029 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.890 -1.926 -16.137 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.619 -3.508 -15.940 1.00 0.00 H new ATOM 970 N GLU A 65 -0.434 -0.898 -12.228 1.00 0.00 N ATOM 971 CA GLU A 65 -0.166 -0.096 -11.046 1.00 0.00 C ATOM 972 C GLU A 65 -1.429 0.654 -10.617 1.00 0.00 C ATOM 973 O GLU A 65 -2.006 1.405 -11.402 1.00 0.00 O ATOM 974 CB GLU A 65 0.990 0.875 -11.293 1.00 0.00 C ATOM 975 CG GLU A 65 2.330 0.237 -10.922 1.00 0.00 C ATOM 976 CD GLU A 65 3.422 1.299 -10.777 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.354 2.290 -11.536 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.299 1.096 -9.910 1.00 0.00 O ATOM 0 H GLU A 65 0.152 -0.680 -13.034 1.00 0.00 H new ATOM 0 HA GLU A 65 0.130 -0.764 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.002 1.172 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.840 1.782 -10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.228 -0.314 -9.987 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.618 -0.484 -11.687 1.00 0.00 H new ATOM 985 N VAL A 66 -1.821 0.424 -9.373 1.00 0.00 N ATOM 986 CA VAL A 66 -3.005 1.068 -8.830 1.00 0.00 C ATOM 987 C VAL A 66 -2.601 1.962 -7.656 1.00 0.00 C ATOM 988 O VAL A 66 -2.080 1.478 -6.652 1.00 0.00 O ATOM 989 CB VAL A 66 -4.046 0.014 -8.447 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.278 0.664 -7.814 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.435 -0.836 -9.658 1.00 0.00 C ATOM 0 H VAL A 66 -1.340 -0.200 -8.725 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.470 1.707 -9.581 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.598 -0.646 -7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.002 -0.107 -7.551 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.982 1.205 -6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.729 1.358 -8.524 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.176 -1.577 -9.359 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.855 -0.195 -10.433 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.551 -1.342 -10.046 1.00 0.00 H new ATOM 1001 N SER A 67 -2.856 3.252 -7.820 1.00 0.00 N ATOM 1002 CA SER A 67 -2.525 4.218 -6.786 1.00 0.00 C ATOM 1003 C SER A 67 -3.681 4.336 -5.791 1.00 0.00 C ATOM 1004 O SER A 67 -4.840 4.433 -6.190 1.00 0.00 O ATOM 1005 CB SER A 67 -2.205 5.586 -7.393 1.00 0.00 C ATOM 1006 OG SER A 67 -3.380 6.362 -7.610 1.00 0.00 O ATOM 0 H SER A 67 -3.288 3.651 -8.654 1.00 0.00 H new ATOM 0 HA SER A 67 -1.637 3.867 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.530 6.128 -6.730 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.681 5.449 -8.339 1.00 0.00 H new ATOM 0 HG SER A 67 -3.133 7.228 -7.997 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.325 4.324 -4.515 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.318 4.429 -3.460 1.00 0.00 C ATOM 1014 C ILE A 68 -4.348 5.865 -2.934 1.00 0.00 C ATOM 1015 O ILE A 68 -3.302 6.488 -2.758 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.058 3.382 -2.374 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.963 1.979 -2.977 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.117 3.461 -1.272 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.350 0.994 -1.979 1.00 0.00 C ATOM 0 H ILE A 68 -2.362 4.243 -4.188 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.312 4.211 -3.850 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.095 3.600 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.956 1.636 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.357 2.009 -3.883 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.909 2.707 -0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.094 4.451 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.103 3.282 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.294 0.004 -2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.348 1.327 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.971 0.949 -1.084 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.558 6.350 -2.698 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.738 7.701 -2.196 1.00 0.00 C ATOM 1033 C ASN A 69 -6.566 7.657 -0.910 1.00 0.00 C ATOM 1034 O ASN A 69 -6.241 8.332 0.066 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.486 8.570 -3.209 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.511 9.420 -4.027 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.311 10.597 -3.776 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.917 8.760 -5.017 1.00 0.00 N ATOM 0 H ASN A 69 -6.424 5.831 -2.845 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.751 8.127 -2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.070 7.936 -3.876 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.190 9.218 -2.688 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.249 9.239 -5.621 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.130 7.775 -5.173 1.00 0.00 H new ATOM 1045 N SER A 70 -7.621 6.855 -0.950 1.00 0.00 N ATOM 1046 CA SER A 70 -8.498 6.714 0.200 1.00 0.00 C ATOM 1047 C SER A 70 -8.435 5.281 0.733 1.00 0.00 C ATOM 1048 O SER A 70 -7.738 4.437 0.173 1.00 0.00 O ATOM 1049 CB SER A 70 -9.938 7.085 -0.157 1.00 0.00 C ATOM 1050 OG SER A 70 -10.005 8.278 -0.935 1.00 0.00 O ATOM 0 H SER A 70 -7.888 6.297 -1.761 1.00 0.00 H new ATOM 0 HA SER A 70 -8.157 7.399 0.976 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.397 6.265 -0.710 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.516 7.216 0.758 1.00 0.00 H new ATOM 0 HG SER A 70 -10.941 8.480 -1.144 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.174 5.051 1.809 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.211 3.735 2.423 1.00 0.00 C ATOM 1058 C GLN A 71 -9.821 2.716 1.459 1.00 0.00 C ATOM 1059 O GLN A 71 -9.189 1.714 1.128 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.981 3.769 3.745 1.00 0.00 C ATOM 1061 CG GLN A 71 -10.064 2.374 4.367 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.017 2.202 5.470 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.192 2.629 6.599 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -7.923 1.554 5.080 1.00 0.00 N ATOM 0 H GLN A 71 -9.751 5.754 2.271 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.188 3.429 2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.490 4.452 4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.986 4.156 3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.061 2.214 4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.913 1.619 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.842 1.223 4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.165 1.388 5.742 1.00 0.00 H new ATOM 1073 N GLY A 72 -11.042 3.007 1.036 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.745 2.129 0.116 1.00 0.00 C ATOM 1075 C GLY A 72 -10.783 1.528 -0.911 1.00 0.00 C ATOM 1076 O GLY A 72 -10.852 0.337 -1.210 1.00 0.00 O ATOM 0 H GLY A 72 -11.563 3.839 1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.234 1.330 0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.529 2.686 -0.397 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.908 2.381 -1.424 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.934 1.950 -2.412 1.00 0.00 C ATOM 1082 C GLU A 73 -7.985 0.915 -1.805 1.00 0.00 C ATOM 1083 O GLU A 73 -7.757 -0.143 -2.390 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.158 3.143 -2.973 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.777 3.632 -4.284 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.800 4.525 -5.052 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.625 5.683 -4.614 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.251 4.030 -6.060 1.00 0.00 O ATOM 0 H GLU A 73 -9.854 3.368 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.467 1.483 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.153 3.954 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.119 2.859 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.055 2.777 -4.900 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.693 4.185 -4.074 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.457 1.255 -0.638 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.538 0.368 0.055 1.00 0.00 C ATOM 1097 C TYR A 74 -7.224 -0.947 0.431 1.00 0.00 C ATOM 1098 O TYR A 74 -6.662 -2.023 0.232 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.130 1.101 1.334 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.044 0.386 2.141 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -3.997 -0.235 1.490 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.111 0.362 3.519 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -2.975 -0.908 2.249 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.089 -0.311 4.278 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.071 -0.913 3.606 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.106 -1.548 4.323 1.00 0.00 O ATOM 0 H TYR A 74 -7.648 2.133 -0.155 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.685 0.127 -0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.777 2.098 1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.011 1.230 1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.944 -0.216 0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.930 0.848 4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.151 -1.398 1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.130 -0.337 5.357 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.304 -1.469 5.280 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.428 -0.817 0.968 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.196 -1.981 1.374 1.00 0.00 C ATOM 1118 C GLU A 75 -9.121 -3.067 0.299 1.00 0.00 C ATOM 1119 O GLU A 75 -8.577 -4.145 0.536 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.648 -1.604 1.672 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.725 -0.547 2.776 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.822 -0.887 3.786 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -11.676 -1.936 4.451 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -12.782 -0.091 3.872 1.00 0.00 O ATOM 0 H GLU A 75 -8.891 0.077 1.131 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.762 -2.376 2.293 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.122 -1.225 0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.203 -2.492 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.764 -0.479 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.922 0.430 2.335 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.676 -2.746 -0.861 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.680 -3.681 -1.973 1.00 0.00 C ATOM 1133 C GLU A 76 -8.286 -4.283 -2.164 1.00 0.00 C ATOM 1134 O GLU A 76 -8.127 -5.503 -2.156 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.165 -3.004 -3.256 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.668 -2.725 -3.194 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.470 -3.919 -3.714 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.363 -4.188 -4.931 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.173 -4.536 -2.885 1.00 0.00 O ATOM 0 H GLU A 76 -10.126 -1.851 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.375 -4.488 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.624 -2.070 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.945 -3.640 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.959 -2.507 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.902 -1.840 -3.786 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.313 -3.401 -2.332 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.938 -3.830 -2.525 1.00 0.00 C ATOM 1148 C ALA A 77 -5.569 -4.845 -1.442 1.00 0.00 C ATOM 1149 O ALA A 77 -4.918 -5.850 -1.724 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.016 -2.609 -2.519 1.00 0.00 C ATOM 0 H ALA A 77 -7.449 -2.390 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.821 -4.321 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.985 -2.931 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.302 -1.933 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.104 -2.091 -1.564 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.999 -4.547 -0.224 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.722 -5.421 0.902 1.00 0.00 C ATOM 1158 C LEU A 78 -6.438 -6.757 0.694 1.00 0.00 C ATOM 1159 O LEU A 78 -5.924 -7.807 1.078 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.082 -4.729 2.219 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.097 -3.666 2.709 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.667 -2.899 3.903 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.733 -4.285 3.024 1.00 0.00 C ATOM 0 H LEU A 78 -6.537 -3.712 0.007 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.655 -5.637 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.061 -4.264 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.178 -5.491 2.992 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.946 -2.945 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.947 -2.150 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.595 -2.407 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.867 -3.593 4.720 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.052 -3.508 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.847 -5.040 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.327 -4.749 2.125 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.613 -6.674 0.088 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.404 -7.864 -0.176 1.00 0.00 C ATOM 1177 C LYS A 79 -7.690 -8.726 -1.219 1.00 0.00 C ATOM 1178 O LYS A 79 -7.679 -9.951 -1.114 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.833 -7.481 -0.568 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.612 -6.958 0.641 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.383 -5.684 0.287 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.446 -5.376 1.342 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.517 -4.531 0.768 1.00 0.00 N ATOM 0 H LYS A 79 -8.036 -5.801 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.496 -8.468 0.727 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.808 -6.719 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.344 -8.348 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.306 -7.723 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.924 -6.755 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.691 -4.846 0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.856 -5.800 -0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.871 -6.306 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.988 -4.867 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.230 -4.331 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.109 -3.636 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.965 -5.031 -0.027 1.00 0.00 H new ATOM 1197 N MET A 80 -7.112 -8.051 -2.202 1.00 0.00 N ATOM 1198 CA MET A 80 -6.398 -8.740 -3.263 1.00 0.00 C ATOM 1199 C MET A 80 -5.123 -9.396 -2.730 1.00 0.00 C ATOM 1200 O MET A 80 -4.807 -10.529 -3.089 1.00 0.00 O ATOM 1201 CB MET A 80 -6.036 -7.742 -4.366 1.00 0.00 C ATOM 1202 CG MET A 80 -6.012 -8.424 -5.735 1.00 0.00 C ATOM 1203 SD MET A 80 -5.149 -7.397 -6.913 1.00 0.00 S ATOM 1204 CE MET A 80 -3.469 -7.920 -6.609 1.00 0.00 C ATOM 0 H MET A 80 -7.124 -7.035 -2.286 1.00 0.00 H new ATOM 0 HA MET A 80 -7.045 -9.520 -3.664 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.759 -6.926 -4.375 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.061 -7.302 -4.158 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.522 -9.395 -5.658 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.031 -8.607 -6.077 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.905 -7.096 -6.172 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.470 -8.765 -5.920 1.00 0.00 H new ATOM 0 HE3 MET A 80 -3.005 -8.219 -7.549 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.425 -8.656 -1.881 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.191 -9.151 -1.295 1.00 0.00 C ATOM 1216 C ALA A 81 -3.429 -10.552 -0.727 1.00 0.00 C ATOM 1217 O ALA A 81 -2.557 -11.416 -0.812 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.700 -8.167 -0.231 1.00 0.00 C ATOM 0 H ALA A 81 -4.691 -7.717 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.410 -9.229 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.774 -8.538 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.519 -7.195 -0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.456 -8.066 0.547 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.613 -10.734 -0.161 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.976 -12.016 0.420 1.00 0.00 C ATOM 1226 C VAL A 82 -4.908 -13.098 -0.660 1.00 0.00 C ATOM 1227 O VAL A 82 -4.381 -14.184 -0.423 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.350 -11.918 1.084 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.795 -13.279 1.625 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.352 -10.861 2.190 1.00 0.00 C ATOM 0 H VAL A 82 -5.333 -10.015 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.271 -12.295 1.203 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.067 -11.608 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.775 -13.182 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.853 -13.995 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.074 -13.630 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.341 -10.812 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.616 -11.127 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.100 -9.889 1.765 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.449 -12.763 -1.822 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.457 -13.693 -2.939 1.00 0.00 C ATOM 1242 C LYS A 83 -4.020 -14.098 -3.270 1.00 0.00 C ATOM 1243 O LYS A 83 -3.723 -15.282 -3.421 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.218 -13.098 -4.125 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.695 -12.890 -3.782 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.569 -12.993 -5.033 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.357 -11.702 -5.259 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.785 -11.901 -4.921 1.00 0.00 N ATOM 0 H LYS A 83 -5.885 -11.861 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.991 -14.605 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.769 -12.146 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.131 -13.760 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.011 -13.635 -3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.830 -11.912 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.944 -13.198 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.259 -13.831 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.940 -10.902 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.263 -11.389 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.306 -11.015 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.183 -12.650 -5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.870 -12.178 -3.922 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.164 -13.091 -3.374 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.765 -13.327 -3.685 1.00 0.00 C ATOM 1264 C GLN A 84 -1.146 -14.278 -2.658 1.00 0.00 C ATOM 1265 O GLN A 84 -0.738 -15.387 -3.001 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.988 -12.010 -3.750 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.782 -10.942 -4.504 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.934 -10.305 -5.607 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.863 -8.978 -5.536 1.00 0.00 O flip ATOM 1270 NE2 GLN A 84 -0.381 -10.973 -6.464 1.00 0.00 N flip ATOM 0 H GLN A 84 -3.413 -12.110 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.705 -13.795 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.771 -11.662 -2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.030 -12.173 -4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.676 -11.388 -4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.116 -10.173 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.477 -11.988 -6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.178 -10.516 -7.185 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.096 -13.810 -1.420 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.534 -14.605 -0.341 1.00 0.00 C ATOM 1281 C GLY A 85 -0.295 -13.750 0.904 1.00 0.00 C ATOM 1282 O GLY A 85 0.728 -13.891 1.572 1.00 0.00 O ATOM 0 H GLY A 85 -1.436 -12.890 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.210 -15.425 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.406 -15.052 -0.665 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.257 -12.881 1.179 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.164 -12.002 2.332 1.00 0.00 C ATOM 1288 C ASN A 86 -0.062 -10.968 2.093 1.00 0.00 C ATOM 1289 O ASN A 86 0.605 -10.537 3.033 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.809 -12.788 3.596 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.590 -14.101 3.663 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.164 -15.133 3.171 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.756 -14.006 4.297 1.00 0.00 N ATOM 0 H ASN A 86 -2.105 -12.767 0.623 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.132 -11.519 2.467 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.261 -12.996 3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.028 -12.185 4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.352 -14.828 4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.054 -13.111 4.686 1.00 0.00 H new ATOM 1300 N GLN A 87 0.097 -10.601 0.830 1.00 0.00 N ATOM 1301 CA GLN A 87 1.107 -9.626 0.455 1.00 0.00 C ATOM 1302 C GLN A 87 0.626 -8.794 -0.736 1.00 0.00 C ATOM 1303 O GLN A 87 -0.255 -9.221 -1.480 1.00 0.00 O ATOM 1304 CB GLN A 87 2.440 -10.309 0.145 1.00 0.00 C ATOM 1305 CG GLN A 87 2.363 -11.090 -1.169 1.00 0.00 C ATOM 1306 CD GLN A 87 2.960 -10.282 -2.323 1.00 0.00 C ATOM 1307 OE1 GLN A 87 4.135 -9.952 -2.341 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.089 -9.983 -3.282 1.00 0.00 N ATOM 0 H GLN A 87 -0.457 -10.961 0.053 1.00 0.00 H new ATOM 0 HA GLN A 87 1.268 -8.956 1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.230 -9.561 0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.705 -10.984 0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.898 -12.034 -1.067 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.324 -11.334 -1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.120 -10.290 -3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.390 -9.446 -4.095 1.00 0.00 H new ATOM 1317 N LEU A 88 1.227 -7.622 -0.879 1.00 0.00 N ATOM 1318 CA LEU A 88 0.871 -6.727 -1.967 1.00 0.00 C ATOM 1319 C LEU A 88 2.129 -6.014 -2.467 1.00 0.00 C ATOM 1320 O LEU A 88 2.934 -5.536 -1.669 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.245 -5.775 -1.534 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.960 -5.024 -2.659 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.566 -5.999 -3.670 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -2.005 -4.058 -2.096 1.00 0.00 C ATOM 0 H LEU A 88 1.958 -7.271 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 88 0.468 -7.291 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.987 -6.347 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.176 -5.042 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.222 -4.425 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.068 -5.439 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.775 -6.610 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.287 -6.643 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.498 -3.537 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.745 -4.616 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.516 -3.332 -1.447 1.00 0.00 H new ATOM 1336 N GLN A 89 2.259 -5.964 -3.785 1.00 0.00 N ATOM 1337 CA GLN A 89 3.405 -5.318 -4.400 1.00 0.00 C ATOM 1338 C GLN A 89 3.090 -3.850 -4.697 1.00 0.00 C ATOM 1339 O GLN A 89 2.448 -3.539 -5.699 1.00 0.00 O ATOM 1340 CB GLN A 89 3.833 -6.054 -5.671 1.00 0.00 C ATOM 1341 CG GLN A 89 5.253 -6.608 -5.532 1.00 0.00 C ATOM 1342 CD GLN A 89 6.293 -5.499 -5.698 1.00 0.00 C ATOM 1343 OE1 GLN A 89 6.458 -4.635 -4.853 1.00 0.00 O ATOM 1344 NE2 GLN A 89 6.983 -5.570 -6.833 1.00 0.00 N ATOM 0 H GLN A 89 1.589 -6.361 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 89 4.239 -5.357 -3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.139 -6.869 -5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.785 -5.375 -6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.370 -7.078 -4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.420 -7.383 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.795 -6.320 -7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.700 -4.875 -7.038 1.00 0.00 H new ATOM 1353 N MET A 90 3.557 -2.986 -3.807 1.00 0.00 N ATOM 1354 CA MET A 90 3.333 -1.559 -3.961 1.00 0.00 C ATOM 1355 C MET A 90 4.595 -0.857 -4.466 1.00 0.00 C ATOM 1356 O MET A 90 5.708 -1.310 -4.204 1.00 0.00 O ATOM 1357 CB MET A 90 2.919 -0.959 -2.616 1.00 0.00 C ATOM 1358 CG MET A 90 1.656 -1.636 -2.079 1.00 0.00 C ATOM 1359 SD MET A 90 1.535 -1.391 -0.315 1.00 0.00 S ATOM 1360 CE MET A 90 0.192 -0.216 -0.257 1.00 0.00 C ATOM 0 H MET A 90 4.089 -3.247 -2.977 1.00 0.00 H new ATOM 0 HA MET A 90 2.540 -1.412 -4.694 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.731 -1.073 -1.898 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.742 0.111 -2.730 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.775 -1.225 -2.573 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.680 -2.702 -2.306 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.579 0.766 0.013 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.286 -0.161 -1.235 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.539 -0.535 0.486 1.00 0.00 H new ATOM 1370 N GLN A 91 4.379 0.237 -5.182 1.00 0.00 N ATOM 1371 CA GLN A 91 5.486 1.005 -5.726 1.00 0.00 C ATOM 1372 C GLN A 91 5.338 2.483 -5.357 1.00 0.00 C ATOM 1373 O GLN A 91 4.353 3.122 -5.722 1.00 0.00 O ATOM 1374 CB GLN A 91 5.585 0.826 -7.242 1.00 0.00 C ATOM 1375 CG GLN A 91 6.242 -0.510 -7.594 1.00 0.00 C ATOM 1376 CD GLN A 91 6.200 -0.760 -9.103 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.852 -0.091 -9.888 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.398 -1.758 -9.464 1.00 0.00 N ATOM 0 H GLN A 91 3.454 0.609 -5.398 1.00 0.00 H new ATOM 0 HA GLN A 91 6.412 0.632 -5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.589 0.873 -7.683 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.163 1.644 -7.672 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.276 -0.513 -7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.731 -1.319 -7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.880 -2.278 -8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.301 -2.003 -10.449 1.00 0.00 H new ATOM 1387 N VAL A 92 6.332 2.983 -4.637 1.00 0.00 N ATOM 1388 CA VAL A 92 6.325 4.373 -4.215 1.00 0.00 C ATOM 1389 C VAL A 92 6.594 5.270 -5.425 1.00 0.00 C ATOM 1390 O VAL A 92 7.437 4.953 -6.263 1.00 0.00 O ATOM 1391 CB VAL A 92 7.332 4.580 -3.081 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.974 5.966 -3.166 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.673 4.363 -1.717 1.00 0.00 C ATOM 0 H VAL A 92 7.148 2.450 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 92 5.348 4.647 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 92 8.122 3.837 -3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.685 6.088 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.494 6.068 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.201 6.730 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.410 4.516 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.855 5.072 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.285 3.346 -1.658 1.00 0.00 H new ATOM 1403 N HIS A 93 5.862 6.373 -5.477 1.00 0.00 N ATOM 1404 CA HIS A 93 6.011 7.319 -6.570 1.00 0.00 C ATOM 1405 C HIS A 93 5.938 8.747 -6.027 1.00 0.00 C ATOM 1406 O HIS A 93 4.855 9.318 -5.914 1.00 0.00 O ATOM 1407 CB HIS A 93 4.979 7.049 -7.667 1.00 0.00 C ATOM 1408 CG HIS A 93 5.219 5.771 -8.435 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.217 5.644 -9.386 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.582 4.566 -8.383 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.172 4.415 -9.878 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.158 3.748 -9.255 1.00 0.00 N ATOM 0 H HIS A 93 5.164 6.633 -4.780 1.00 0.00 H new ATOM 0 HA HIS A 93 6.990 7.193 -7.033 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.987 7.009 -7.217 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.979 7.886 -8.365 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.750 4.319 -7.741 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.824 4.012 -10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.887 2.780 -9.430 1.00 0.00 H new ATOM 1420 N GLU A 94 7.106 9.283 -5.705 1.00 0.00 N ATOM 1421 CA GLU A 94 7.189 10.634 -5.176 1.00 0.00 C ATOM 1422 C GLU A 94 6.309 11.580 -5.996 1.00 0.00 C ATOM 1423 O GLU A 94 6.240 11.465 -7.218 1.00 0.00 O ATOM 1424 CB GLU A 94 8.639 11.123 -5.144 1.00 0.00 C ATOM 1425 CG GLU A 94 9.067 11.477 -3.719 1.00 0.00 C ATOM 1426 CD GLU A 94 9.088 12.993 -3.513 1.00 0.00 C ATOM 1427 OE1 GLU A 94 9.390 13.696 -4.501 1.00 0.00 O ATOM 1428 OE2 GLU A 94 8.801 13.414 -2.371 1.00 0.00 O ATOM 0 H GLU A 94 8.003 8.806 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 94 6.821 10.625 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.296 10.350 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.746 11.996 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.382 11.019 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.057 11.066 -3.520 1.00 0.00 H new