USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 438 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 29 SER OG : rot 120:sc= -1.32 USER MOD Set 1.2: A 58 LYS NZ :NH3+ 149:sc= -0.0184 (180deg=-0.291) USER MOD Set 2.1: A 43 ASN : amide:sc= -2.33 K(o=-4,f=-6.2!) USER MOD Set 2.2: A 50 SER OG : rot -66:sc= -1.71! USER MOD Set 3.1: A 18 GLN : amide:sc= -0.609 K(o=-5.9,f=-6.6) USER MOD Set 3.2: A 37 GLN : amide:sc= -4.69! C(o=-5.9!,f=-6.7!) USER MOD Set 3.3: A 41 GLN : amide:sc= -0.588 K(o=-5.9,f=-8.6!) USER MOD Set 4.1: A 31 MET CE :methyl 146:sc= -3.67 (180deg=-2.81!) USER MOD Set 4.2: A 39 CYS SG : rot 64:sc= -3.23 USER MOD Set 5.1: A 28 GLN : amide:sc= -6.27! C(o=-13!,f=-5.2!) USER MOD Set 5.2: A 47 TYR OH : rot -30:sc= -6.51! USER MOD Single : A 15 SER OG : rot 180:sc= -0.568 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl -151:sc= -4.02! (180deg=-6.25!) USER MOD Single : A 23 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.9) USER MOD Single : A 26 SER OG : rot -73:sc= 0.563 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.65 K(o=-1.7,f=-3.9!) USER MOD Single : A 36 SER OG : rot 85:sc= -0.73 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.35 K(o=-1.3,f=-3.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -70:sc= 0.211 USER MOD Single : A 56 HIS : no HD1:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 164:sc= -0.0898 (180deg=-0.581) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 14 15.781 0.517 1.630 1.00 0.00 N ATOM 161 CA LEU A 14 14.695 1.353 2.126 1.00 0.00 C ATOM 162 C LEU A 14 15.179 2.253 3.263 1.00 0.00 C ATOM 163 O LEU A 14 16.280 2.078 3.785 1.00 0.00 O ATOM 164 CB LEU A 14 13.526 0.478 2.593 1.00 0.00 C ATOM 165 CG LEU A 14 12.257 1.232 3.007 1.00 0.00 C ATOM 166 CD1 LEU A 14 11.776 2.159 1.900 1.00 0.00 C ATOM 167 CD2 LEU A 14 11.158 0.254 3.373 1.00 0.00 C ATOM 0 HA LEU A 14 14.351 1.992 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.270 -0.214 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.861 -0.124 3.438 1.00 0.00 H new ATOM 0 HG LEU A 14 12.503 1.840 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.875 2.678 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.553 2.889 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.555 1.575 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.264 0.804 3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.932 -0.377 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.488 -0.369 4.204 1.00 0.00 H new ATOM 179 N SER A 15 14.348 3.219 3.631 1.00 0.00 N ATOM 180 CA SER A 15 14.668 4.165 4.692 1.00 0.00 C ATOM 181 C SER A 15 13.381 4.579 5.394 1.00 0.00 C ATOM 182 O SER A 15 12.341 3.986 5.147 1.00 0.00 O ATOM 183 CB SER A 15 15.379 5.382 4.088 1.00 0.00 C ATOM 184 OG SER A 15 14.451 6.395 3.743 1.00 0.00 O ATOM 0 H SER A 15 13.434 3.369 3.203 1.00 0.00 H new ATOM 0 HA SER A 15 15.332 3.705 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.103 5.775 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.937 5.079 3.202 1.00 0.00 H new ATOM 0 HG SER A 15 14.929 7.161 3.362 1.00 0.00 H new ATOM 190 N PRO A 16 13.417 5.588 6.281 1.00 0.00 N ATOM 191 CA PRO A 16 12.216 6.045 6.990 1.00 0.00 C ATOM 192 C PRO A 16 11.043 6.277 6.039 1.00 0.00 C ATOM 193 O PRO A 16 9.886 6.215 6.445 1.00 0.00 O ATOM 194 CB PRO A 16 12.668 7.357 7.631 1.00 0.00 C ATOM 195 CG PRO A 16 14.136 7.186 7.825 1.00 0.00 C ATOM 196 CD PRO A 16 14.613 6.356 6.671 1.00 0.00 C ATOM 0 HA PRO A 16 11.853 5.312 7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.448 8.210 6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.159 7.533 8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.642 8.151 7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.349 6.694 8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.975 6.978 5.852 1.00 0.00 H new ATOM 0 HD3 PRO A 16 15.434 5.700 6.961 1.00 0.00 H new ATOM 204 N GLU A 17 11.355 6.524 4.765 1.00 0.00 N ATOM 205 CA GLU A 17 10.357 6.745 3.726 1.00 0.00 C ATOM 206 C GLU A 17 9.177 5.794 3.879 1.00 0.00 C ATOM 207 O GLU A 17 8.043 6.113 3.523 1.00 0.00 O ATOM 208 CB GLU A 17 11.068 6.562 2.365 1.00 0.00 C ATOM 209 CG GLU A 17 10.497 5.506 1.396 1.00 0.00 C ATOM 210 CD GLU A 17 10.638 5.925 -0.055 1.00 0.00 C ATOM 211 OE1 GLU A 17 10.043 6.956 -0.434 1.00 0.00 O ATOM 212 OE2 GLU A 17 11.340 5.222 -0.810 1.00 0.00 O ATOM 0 H GLU A 17 12.316 6.576 4.427 1.00 0.00 H new ATOM 0 HA GLU A 17 9.941 7.750 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.065 7.524 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.110 6.309 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.012 4.558 1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.444 5.338 1.623 1.00 0.00 H new ATOM 219 N GLN A 18 9.480 4.620 4.377 1.00 0.00 N ATOM 220 CA GLN A 18 8.504 3.581 4.558 1.00 0.00 C ATOM 221 C GLN A 18 7.387 4.010 5.468 1.00 0.00 C ATOM 222 O GLN A 18 6.249 4.114 5.060 1.00 0.00 O ATOM 223 CB GLN A 18 9.183 2.346 5.134 1.00 0.00 C ATOM 224 CG GLN A 18 8.492 1.069 4.749 1.00 0.00 C ATOM 225 CD GLN A 18 8.827 -0.089 5.668 1.00 0.00 C ATOM 226 OE1 GLN A 18 9.226 -1.162 5.214 1.00 0.00 O ATOM 227 NE2 GLN A 18 8.668 0.123 6.969 1.00 0.00 N ATOM 0 H GLN A 18 10.422 4.359 4.670 1.00 0.00 H new ATOM 0 HA GLN A 18 8.070 3.357 3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.217 2.312 4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.210 2.426 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.414 1.230 4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.769 0.807 3.728 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.335 1.028 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.879 -0.619 7.636 1.00 0.00 H new ATOM 236 N GLN A 19 7.718 4.232 6.706 1.00 0.00 N ATOM 237 CA GLN A 19 6.713 4.624 7.679 1.00 0.00 C ATOM 238 C GLN A 19 6.161 6.006 7.377 1.00 0.00 C ATOM 239 O GLN A 19 5.063 6.350 7.813 1.00 0.00 O ATOM 240 CB GLN A 19 7.275 4.567 9.100 1.00 0.00 C ATOM 241 CG GLN A 19 7.054 3.230 9.789 1.00 0.00 C ATOM 242 CD GLN A 19 6.288 3.364 11.091 1.00 0.00 C ATOM 243 OE1 GLN A 19 5.072 3.175 11.132 1.00 0.00 O ATOM 244 NE2 GLN A 19 6.999 3.691 12.163 1.00 0.00 N ATOM 0 H GLN A 19 8.666 4.152 7.075 1.00 0.00 H new ATOM 0 HA GLN A 19 5.891 3.912 7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.344 4.777 9.068 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.813 5.354 9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.509 2.565 9.118 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.019 2.763 9.986 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.005 3.838 12.082 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.539 3.795 13.068 1.00 0.00 H new ATOM 253 N GLU A 20 6.902 6.790 6.606 1.00 0.00 N ATOM 254 CA GLU A 20 6.436 8.110 6.238 1.00 0.00 C ATOM 255 C GLU A 20 5.213 7.964 5.348 1.00 0.00 C ATOM 256 O GLU A 20 4.322 8.812 5.346 1.00 0.00 O ATOM 257 CB GLU A 20 7.534 8.890 5.512 1.00 0.00 C ATOM 258 CG GLU A 20 7.718 10.307 6.033 1.00 0.00 C ATOM 259 CD GLU A 20 8.670 11.123 5.179 1.00 0.00 C ATOM 260 OE1 GLU A 20 9.705 10.571 4.752 1.00 0.00 O ATOM 261 OE2 GLU A 20 8.378 12.313 4.938 1.00 0.00 O ATOM 0 H GLU A 20 7.815 6.535 6.230 1.00 0.00 H new ATOM 0 HA GLU A 20 6.174 8.666 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.476 8.351 5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.298 8.930 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.749 10.806 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.095 10.268 7.055 1.00 0.00 H new ATOM 268 N MET A 21 5.188 6.873 4.585 1.00 0.00 N ATOM 269 CA MET A 21 4.092 6.597 3.683 1.00 0.00 C ATOM 270 C MET A 21 3.145 5.554 4.248 1.00 0.00 C ATOM 271 O MET A 21 2.015 5.875 4.571 1.00 0.00 O ATOM 272 CB MET A 21 4.672 6.134 2.359 1.00 0.00 C ATOM 273 CG MET A 21 5.287 7.275 1.584 1.00 0.00 C ATOM 274 SD MET A 21 5.398 6.963 -0.184 1.00 0.00 S ATOM 275 CE MET A 21 5.920 8.577 -0.760 1.00 0.00 C ATOM 0 H MET A 21 5.924 6.167 4.580 1.00 0.00 H new ATOM 0 HA MET A 21 3.507 7.506 3.543 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.428 5.370 2.541 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.887 5.670 1.761 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.697 8.176 1.750 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.286 7.472 1.974 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.559 8.735 -1.776 1.00 0.00 H new ATOM 0 HE2 MET A 21 5.511 9.347 -0.105 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.009 8.633 -0.749 1.00 0.00 H new ATOM 285 N LEU A 22 3.627 4.314 4.346 1.00 0.00 N ATOM 286 CA LEU A 22 2.859 3.168 4.857 1.00 0.00 C ATOM 287 C LEU A 22 1.681 3.569 5.746 1.00 0.00 C ATOM 288 O LEU A 22 0.581 3.042 5.597 1.00 0.00 O ATOM 289 CB LEU A 22 3.789 2.239 5.643 1.00 0.00 C ATOM 290 CG LEU A 22 4.119 0.915 4.960 1.00 0.00 C ATOM 291 CD1 LEU A 22 5.274 0.231 5.675 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.894 0.013 4.931 1.00 0.00 C ATOM 0 H LEU A 22 4.578 4.070 4.069 1.00 0.00 H new ATOM 0 HA LEU A 22 2.441 2.662 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.721 2.768 5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.331 2.026 6.609 1.00 0.00 H new ATOM 0 HG LEU A 22 4.419 1.115 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.501 -0.713 5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.152 0.876 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.998 0.039 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.146 -0.927 4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.565 -0.186 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.092 0.506 4.381 1.00 0.00 H new ATOM 304 N GLN A 23 1.914 4.494 6.669 1.00 0.00 N ATOM 305 CA GLN A 23 0.858 4.942 7.565 1.00 0.00 C ATOM 306 C GLN A 23 -0.268 5.605 6.780 1.00 0.00 C ATOM 307 O GLN A 23 -1.412 5.153 6.816 1.00 0.00 O ATOM 308 CB GLN A 23 1.404 5.915 8.610 1.00 0.00 C ATOM 309 CG GLN A 23 0.319 6.553 9.464 1.00 0.00 C ATOM 310 CD GLN A 23 0.440 6.188 10.931 1.00 0.00 C ATOM 311 OE1 GLN A 23 0.929 5.112 11.276 1.00 0.00 O ATOM 312 NE2 GLN A 23 -0.006 7.085 11.802 1.00 0.00 N ATOM 0 H GLN A 23 2.817 4.945 6.815 1.00 0.00 H new ATOM 0 HA GLN A 23 0.463 4.065 8.078 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.103 5.386 9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.968 6.700 8.106 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.369 7.637 9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.658 6.241 9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.404 7.964 11.471 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.049 6.895 12.803 1.00 0.00 H new ATOM 321 N ALA A 24 0.062 6.682 6.077 1.00 0.00 N ATOM 322 CA ALA A 24 -0.925 7.407 5.293 1.00 0.00 C ATOM 323 C ALA A 24 -1.352 6.622 4.051 1.00 0.00 C ATOM 324 O ALA A 24 -2.295 7.008 3.362 1.00 0.00 O ATOM 325 CB ALA A 24 -0.376 8.769 4.901 1.00 0.00 C ATOM 0 H ALA A 24 1.004 7.070 6.035 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.812 7.542 5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.121 9.306 4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.142 9.339 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.529 8.639 4.308 1.00 0.00 H new ATOM 331 N PHE A 25 -0.662 5.518 3.768 1.00 0.00 N ATOM 332 CA PHE A 25 -0.980 4.697 2.615 1.00 0.00 C ATOM 333 C PHE A 25 -1.991 3.623 2.984 1.00 0.00 C ATOM 334 O PHE A 25 -2.755 3.160 2.141 1.00 0.00 O ATOM 335 CB PHE A 25 0.287 4.051 2.066 1.00 0.00 C ATOM 336 CG PHE A 25 0.066 3.296 0.790 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.688 2.134 0.776 1.00 0.00 C ATOM 338 CD2 PHE A 25 0.616 3.747 -0.394 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.886 1.437 -0.397 1.00 0.00 C ATOM 340 CE2 PHE A 25 0.421 3.055 -1.570 1.00 0.00 C ATOM 341 CZ PHE A 25 -0.330 1.898 -1.570 1.00 0.00 C ATOM 0 H PHE A 25 0.121 5.176 4.326 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.417 5.336 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.036 4.824 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.694 3.372 2.815 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.126 1.770 1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.205 4.652 -0.398 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.475 0.532 -0.396 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.855 3.418 -2.490 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.482 1.353 -2.490 1.00 0.00 H new ATOM 351 N SER A 26 -1.995 3.233 4.251 1.00 0.00 N ATOM 352 CA SER A 26 -2.923 2.221 4.723 1.00 0.00 C ATOM 353 C SER A 26 -4.344 2.760 4.648 1.00 0.00 C ATOM 354 O SER A 26 -5.293 2.021 4.385 1.00 0.00 O ATOM 355 CB SER A 26 -2.590 1.815 6.160 1.00 0.00 C ATOM 356 OG SER A 26 -3.119 2.745 7.089 1.00 0.00 O ATOM 0 H SER A 26 -1.368 3.602 4.966 1.00 0.00 H new ATOM 0 HA SER A 26 -2.836 1.339 4.089 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.994 0.823 6.364 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.509 1.750 6.281 1.00 0.00 H new ATOM 0 HG SER A 26 -2.598 3.574 7.055 1.00 0.00 H new ATOM 362 N THR A 27 -4.474 4.063 4.878 1.00 0.00 N ATOM 363 CA THR A 27 -5.772 4.723 4.835 1.00 0.00 C ATOM 364 C THR A 27 -6.217 5.001 3.396 1.00 0.00 C ATOM 365 O THR A 27 -7.361 5.392 3.165 1.00 0.00 O ATOM 366 CB THR A 27 -5.724 6.033 5.624 1.00 0.00 C ATOM 367 OG1 THR A 27 -4.757 6.911 5.080 1.00 0.00 O ATOM 368 CG2 THR A 27 -5.394 5.837 7.089 1.00 0.00 C ATOM 0 H THR A 27 -3.694 4.683 5.096 1.00 0.00 H new ATOM 0 HA THR A 27 -6.499 4.050 5.289 1.00 0.00 H new ATOM 0 HB THR A 27 -6.727 6.454 5.547 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.743 7.743 5.597 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.376 6.805 7.590 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.151 5.203 7.551 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.417 5.362 7.182 1.00 0.00 H new ATOM 376 N GLN A 28 -5.317 4.801 2.427 1.00 0.00 N ATOM 377 CA GLN A 28 -5.651 5.040 1.020 1.00 0.00 C ATOM 378 C GLN A 28 -6.978 4.382 0.664 1.00 0.00 C ATOM 379 O GLN A 28 -8.023 5.034 0.669 1.00 0.00 O ATOM 380 CB GLN A 28 -4.553 4.496 0.087 1.00 0.00 C ATOM 381 CG GLN A 28 -3.403 5.459 -0.247 1.00 0.00 C ATOM 382 CD GLN A 28 -3.676 6.921 0.086 1.00 0.00 C ATOM 383 OE1 GLN A 28 -4.663 7.497 -0.370 1.00 0.00 O ATOM 384 NE2 GLN A 28 -2.795 7.529 0.870 1.00 0.00 N ATOM 0 H GLN A 28 -4.363 4.478 2.589 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.730 6.118 0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.128 3.602 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.021 4.185 -0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.511 5.139 0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.178 5.379 -1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.990 7.015 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.923 8.511 1.116 1.00 0.00 H new ATOM 393 N SER A 29 -6.934 3.090 0.363 1.00 0.00 N ATOM 394 CA SER A 29 -8.144 2.361 0.016 1.00 0.00 C ATOM 395 C SER A 29 -8.516 1.347 1.099 1.00 0.00 C ATOM 396 O SER A 29 -9.359 0.478 0.878 1.00 0.00 O ATOM 397 CB SER A 29 -8.003 1.663 -1.335 1.00 0.00 C ATOM 398 OG SER A 29 -9.250 1.600 -2.005 1.00 0.00 O ATOM 0 H SER A 29 -6.081 2.531 0.352 1.00 0.00 H new ATOM 0 HA SER A 29 -8.949 3.092 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.281 2.198 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.613 0.656 -1.189 1.00 0.00 H new ATOM 0 HG SER A 29 -9.186 2.073 -2.861 1.00 0.00 H new ATOM 404 N GLY A 30 -7.895 1.467 2.273 1.00 0.00 N ATOM 405 CA GLY A 30 -8.194 0.557 3.364 1.00 0.00 C ATOM 406 C GLY A 30 -7.046 -0.379 3.705 1.00 0.00 C ATOM 407 O GLY A 30 -7.127 -1.131 4.677 1.00 0.00 O ATOM 0 H GLY A 30 -7.193 2.176 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.455 1.137 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.070 -0.036 3.102 1.00 0.00 H new ATOM 411 N MET A 31 -5.979 -0.347 2.912 1.00 0.00 N ATOM 412 CA MET A 31 -4.828 -1.215 3.155 1.00 0.00 C ATOM 413 C MET A 31 -4.368 -1.125 4.607 1.00 0.00 C ATOM 414 O MET A 31 -4.714 -0.184 5.322 1.00 0.00 O ATOM 415 CB MET A 31 -3.671 -0.841 2.228 1.00 0.00 C ATOM 416 CG MET A 31 -2.680 -1.970 1.997 1.00 0.00 C ATOM 417 SD MET A 31 -3.453 -3.449 1.318 1.00 0.00 S ATOM 418 CE MET A 31 -2.170 -4.017 0.203 1.00 0.00 C ATOM 0 H MET A 31 -5.886 0.265 2.101 1.00 0.00 H new ATOM 0 HA MET A 31 -5.137 -2.240 2.950 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.076 -0.523 1.267 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.142 0.014 2.649 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.899 -1.629 1.317 1.00 0.00 H new ATOM 0 HG3 MET A 31 -2.194 -2.220 2.940 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.169 -5.107 0.174 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.359 -3.628 -0.797 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.201 -3.663 0.553 1.00 0.00 H new ATOM 428 N ASN A 32 -3.576 -2.106 5.034 1.00 0.00 N ATOM 429 CA ASN A 32 -3.058 -2.133 6.397 1.00 0.00 C ATOM 430 C ASN A 32 -1.754 -1.351 6.489 1.00 0.00 C ATOM 431 O ASN A 32 -1.445 -0.539 5.618 1.00 0.00 O ATOM 432 CB ASN A 32 -2.833 -3.564 6.842 1.00 0.00 C ATOM 433 CG ASN A 32 -3.464 -3.888 8.171 1.00 0.00 C ATOM 434 OD1 ASN A 32 -4.342 -3.178 8.660 1.00 0.00 O ATOM 435 ND2 ASN A 32 -3.003 -4.979 8.758 1.00 0.00 N ATOM 0 H ASN A 32 -3.280 -2.892 4.455 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.792 -1.667 7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.233 -4.238 6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -1.761 -3.753 6.902 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.377 -5.269 9.662 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.273 -5.531 8.307 1.00 0.00 H new ATOM 442 N LEU A 33 -0.986 -1.609 7.540 1.00 0.00 N ATOM 443 CA LEU A 33 0.291 -0.934 7.733 1.00 0.00 C ATOM 444 C LEU A 33 1.461 -1.873 7.438 1.00 0.00 C ATOM 445 O LEU A 33 2.597 -1.596 7.822 1.00 0.00 O ATOM 446 CB LEU A 33 0.398 -0.401 9.163 1.00 0.00 C ATOM 447 CG LEU A 33 0.698 1.095 9.276 1.00 0.00 C ATOM 448 CD1 LEU A 33 1.991 1.435 8.553 1.00 0.00 C ATOM 449 CD2 LEU A 33 -0.459 1.912 8.719 1.00 0.00 C ATOM 0 H LEU A 33 -1.225 -2.280 8.271 1.00 0.00 H new ATOM 0 HA LEU A 33 0.338 -0.098 7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.537 -0.609 9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.181 -0.953 9.683 1.00 0.00 H new ATOM 0 HG LEU A 33 0.820 1.345 10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.189 2.503 8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.814 0.875 8.997 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.899 1.171 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.230 2.974 8.807 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.611 1.659 7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.366 1.689 9.281 1.00 0.00 H new ATOM 461 N GLU A 34 1.182 -2.987 6.760 1.00 0.00 N ATOM 462 CA GLU A 34 2.227 -3.956 6.433 1.00 0.00 C ATOM 463 C GLU A 34 2.149 -4.430 4.983 1.00 0.00 C ATOM 464 O GLU A 34 3.175 -4.721 4.368 1.00 0.00 O ATOM 465 CB GLU A 34 2.153 -5.156 7.377 1.00 0.00 C ATOM 466 CG GLU A 34 0.767 -5.772 7.471 1.00 0.00 C ATOM 467 CD GLU A 34 0.701 -6.910 8.471 1.00 0.00 C ATOM 468 OE1 GLU A 34 1.670 -7.081 9.240 1.00 0.00 O ATOM 469 OE2 GLU A 34 -0.320 -7.628 8.486 1.00 0.00 O ATOM 0 H GLU A 34 0.250 -3.239 6.430 1.00 0.00 H new ATOM 0 HA GLU A 34 3.183 -3.448 6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.857 -5.917 7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.471 -4.845 8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.050 -5.002 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.469 -6.139 6.489 1.00 0.00 H new ATOM 476 N TRP A 35 0.946 -4.485 4.428 1.00 0.00 N ATOM 477 CA TRP A 35 0.781 -4.898 3.041 1.00 0.00 C ATOM 478 C TRP A 35 0.934 -3.685 2.136 1.00 0.00 C ATOM 479 O TRP A 35 1.310 -3.804 0.970 1.00 0.00 O ATOM 480 CB TRP A 35 -0.576 -5.568 2.804 1.00 0.00 C ATOM 481 CG TRP A 35 -1.096 -6.332 3.975 1.00 0.00 C ATOM 482 CD1 TRP A 35 -1.552 -5.840 5.153 1.00 0.00 C ATOM 483 CD2 TRP A 35 -1.217 -7.735 4.059 1.00 0.00 C ATOM 484 NE1 TRP A 35 -1.967 -6.856 5.965 1.00 0.00 N ATOM 485 CE2 TRP A 35 -1.762 -8.040 5.313 1.00 0.00 C ATOM 486 CE3 TRP A 35 -0.913 -8.755 3.183 1.00 0.00 C ATOM 487 CZ2 TRP A 35 -2.010 -9.345 5.711 1.00 0.00 C ATOM 488 CZ3 TRP A 35 -1.158 -10.060 3.575 1.00 0.00 C ATOM 489 CH2 TRP A 35 -1.703 -10.343 4.832 1.00 0.00 C ATOM 0 H TRP A 35 0.078 -4.252 4.911 1.00 0.00 H new ATOM 0 HA TRP A 35 1.550 -5.635 2.809 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.303 -4.803 2.532 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.491 -6.244 1.953 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.583 -4.792 5.413 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -2.363 -6.750 6.899 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -0.493 -8.541 2.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -2.431 -9.564 6.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.925 -10.871 2.901 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.884 -11.370 5.112 1.00 0.00 H new ATOM 500 N SER A 36 0.650 -2.511 2.697 1.00 0.00 N ATOM 501 CA SER A 36 0.766 -1.263 1.969 1.00 0.00 C ATOM 502 C SER A 36 2.228 -0.983 1.626 1.00 0.00 C ATOM 503 O SER A 36 2.527 -0.373 0.601 1.00 0.00 O ATOM 504 CB SER A 36 0.173 -0.122 2.800 1.00 0.00 C ATOM 505 OG SER A 36 0.906 1.081 2.635 1.00 0.00 O ATOM 0 H SER A 36 0.336 -2.405 3.662 1.00 0.00 H new ATOM 0 HA SER A 36 0.209 -1.340 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.864 0.041 2.508 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.167 -0.403 3.853 1.00 0.00 H new ATOM 0 HG SER A 36 0.585 1.553 1.838 1.00 0.00 H new ATOM 511 N GLN A 37 3.141 -1.440 2.488 1.00 0.00 N ATOM 512 CA GLN A 37 4.567 -1.238 2.257 1.00 0.00 C ATOM 513 C GLN A 37 4.978 -1.823 0.907 1.00 0.00 C ATOM 514 O GLN A 37 5.721 -1.199 0.149 1.00 0.00 O ATOM 515 CB GLN A 37 5.395 -1.849 3.402 1.00 0.00 C ATOM 516 CG GLN A 37 5.712 -3.329 3.242 1.00 0.00 C ATOM 517 CD GLN A 37 6.860 -3.582 2.283 1.00 0.00 C ATOM 518 OE1 GLN A 37 6.743 -4.380 1.353 1.00 0.00 O ATOM 519 NE2 GLN A 37 7.979 -2.902 2.506 1.00 0.00 N ATOM 0 H GLN A 37 2.917 -1.948 3.344 1.00 0.00 H new ATOM 0 HA GLN A 37 4.766 -0.167 2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.332 -1.299 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.855 -1.707 4.338 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.958 -3.751 4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.824 -3.850 2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.032 -2.250 3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.785 -3.031 1.894 1.00 0.00 H new ATOM 528 N LYS A 38 4.475 -3.019 0.605 1.00 0.00 N ATOM 529 CA LYS A 38 4.780 -3.670 -0.661 1.00 0.00 C ATOM 530 C LYS A 38 4.192 -2.858 -1.805 1.00 0.00 C ATOM 531 O LYS A 38 4.765 -2.777 -2.890 1.00 0.00 O ATOM 532 CB LYS A 38 4.221 -5.095 -0.682 1.00 0.00 C ATOM 533 CG LYS A 38 4.770 -5.947 -1.815 1.00 0.00 C ATOM 534 CD LYS A 38 3.796 -7.045 -2.208 1.00 0.00 C ATOM 535 CE LYS A 38 4.458 -8.414 -2.178 1.00 0.00 C ATOM 536 NZ LYS A 38 3.496 -9.488 -1.803 1.00 0.00 N ATOM 0 H LYS A 38 3.858 -3.552 1.218 1.00 0.00 H new ATOM 0 HA LYS A 38 5.862 -3.726 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.447 -5.579 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.135 -5.049 -0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.976 -5.316 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.718 -6.391 -1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.944 -7.037 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.409 -6.849 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.883 -8.633 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.284 -8.402 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.986 -10.405 -1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.109 -9.293 -0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.720 -9.517 -2.495 1.00 0.00 H new ATOM 550 N CYS A 39 3.049 -2.241 -1.533 1.00 0.00 N ATOM 551 CA CYS A 39 2.376 -1.405 -2.514 1.00 0.00 C ATOM 552 C CYS A 39 3.223 -0.181 -2.826 1.00 0.00 C ATOM 553 O CYS A 39 3.156 0.378 -3.919 1.00 0.00 O ATOM 554 CB CYS A 39 1.015 -0.964 -1.975 1.00 0.00 C ATOM 555 SG CYS A 39 -0.054 -2.333 -1.470 1.00 0.00 S ATOM 0 H CYS A 39 2.568 -2.306 -0.636 1.00 0.00 H new ATOM 0 HA CYS A 39 2.232 -1.981 -3.428 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.170 -0.304 -1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.504 -0.381 -2.741 1.00 0.00 H new ATOM 0 HG CYS A 39 0.496 -2.971 -0.480 1.00 0.00 H new ATOM 561 N LEU A 40 4.019 0.229 -1.845 1.00 0.00 N ATOM 562 CA LEU A 40 4.886 1.388 -1.987 1.00 0.00 C ATOM 563 C LEU A 40 6.329 0.983 -2.233 1.00 0.00 C ATOM 564 O LEU A 40 7.245 1.771 -2.031 1.00 0.00 O ATOM 565 CB LEU A 40 4.813 2.231 -0.735 1.00 0.00 C ATOM 566 CG LEU A 40 3.474 2.901 -0.501 1.00 0.00 C ATOM 567 CD1 LEU A 40 3.086 2.780 0.942 1.00 0.00 C ATOM 568 CD2 LEU A 40 3.546 4.352 -0.906 1.00 0.00 C ATOM 0 H LEU A 40 4.080 -0.230 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 40 4.541 1.959 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.044 1.602 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.585 2.999 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 40 2.716 2.406 -1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.123 3.264 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.012 1.727 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.841 3.261 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.580 4.826 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.308 4.858 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.802 4.422 -1.963 1.00 0.00 H new ATOM 580 N GLN A 41 6.524 -0.245 -2.663 1.00 0.00 N ATOM 581 CA GLN A 41 7.863 -0.744 -2.939 1.00 0.00 C ATOM 582 C GLN A 41 8.031 -1.037 -4.429 1.00 0.00 C ATOM 583 O GLN A 41 9.151 -1.064 -4.941 1.00 0.00 O ATOM 584 CB GLN A 41 8.146 -1.998 -2.109 1.00 0.00 C ATOM 585 CG GLN A 41 8.348 -1.714 -0.629 1.00 0.00 C ATOM 586 CD GLN A 41 9.780 -1.935 -0.183 1.00 0.00 C ATOM 587 OE1 GLN A 41 10.563 -0.990 -0.081 1.00 0.00 O ATOM 588 NE2 GLN A 41 10.129 -3.187 0.086 1.00 0.00 N ATOM 0 H GLN A 41 5.777 -0.919 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 41 8.583 0.025 -2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.318 -2.696 -2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.036 -2.490 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.061 -0.684 -0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.687 -2.355 -0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.447 -3.939 -0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.079 -3.397 0.391 1.00 0.00 H new ATOM 597 N ASP A 42 6.912 -1.243 -5.123 1.00 0.00 N ATOM 598 CA ASP A 42 6.939 -1.516 -6.554 1.00 0.00 C ATOM 599 C ASP A 42 7.122 -0.220 -7.335 1.00 0.00 C ATOM 600 O ASP A 42 7.862 -0.172 -8.318 1.00 0.00 O ATOM 601 CB ASP A 42 5.647 -2.210 -6.989 1.00 0.00 C ATOM 602 CG ASP A 42 5.743 -3.721 -6.896 1.00 0.00 C ATOM 603 OD1 ASP A 42 6.815 -4.269 -7.224 1.00 0.00 O ATOM 604 OD2 ASP A 42 4.744 -4.355 -6.495 1.00 0.00 O ATOM 0 H ASP A 42 5.977 -1.225 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 42 7.780 -2.177 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.823 -1.862 -6.366 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.413 -1.926 -8.015 1.00 0.00 H new ATOM 609 N ASN A 43 6.451 0.834 -6.878 1.00 0.00 N ATOM 610 CA ASN A 43 6.547 2.140 -7.521 1.00 0.00 C ATOM 611 C ASN A 43 7.652 2.987 -6.889 1.00 0.00 C ATOM 612 O ASN A 43 7.971 4.068 -7.384 1.00 0.00 O ATOM 613 CB ASN A 43 5.210 2.879 -7.438 1.00 0.00 C ATOM 614 CG ASN A 43 4.099 2.146 -8.166 1.00 0.00 C ATOM 615 OD1 ASN A 43 3.638 2.585 -9.219 1.00 0.00 O ATOM 616 ND2 ASN A 43 3.662 1.023 -7.607 1.00 0.00 N ATOM 0 H ASN A 43 5.835 0.809 -6.065 1.00 0.00 H new ATOM 0 HA ASN A 43 6.797 1.976 -8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.933 3.007 -6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.322 3.877 -7.862 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.916 0.489 -8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.073 0.695 -6.733 1.00 0.00 H new ATOM 623 N ASN A 44 8.245 2.485 -5.800 1.00 0.00 N ATOM 624 CA ASN A 44 9.327 3.183 -5.106 1.00 0.00 C ATOM 625 C ASN A 44 8.801 4.246 -4.145 1.00 0.00 C ATOM 626 O ASN A 44 9.438 5.283 -3.960 1.00 0.00 O ATOM 627 CB ASN A 44 10.300 3.822 -6.104 1.00 0.00 C ATOM 628 CG ASN A 44 10.621 2.904 -7.267 1.00 0.00 C ATOM 629 OD1 ASN A 44 10.337 1.706 -7.224 1.00 0.00 O ATOM 630 ND2 ASN A 44 11.216 3.461 -8.315 1.00 0.00 N ATOM 0 H ASN A 44 7.990 1.591 -5.380 1.00 0.00 H new ATOM 0 HA ASN A 44 9.858 2.432 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.870 4.749 -6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.223 4.087 -5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.456 2.892 -9.127 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.433 4.458 -8.308 1.00 0.00 H new ATOM 637 N TRP A 45 7.658 3.985 -3.511 1.00 0.00 N ATOM 638 CA TRP A 45 7.104 4.929 -2.558 1.00 0.00 C ATOM 639 C TRP A 45 6.702 6.238 -3.218 1.00 0.00 C ATOM 640 O TRP A 45 7.097 7.315 -2.778 1.00 0.00 O ATOM 641 CB TRP A 45 8.113 5.154 -1.430 1.00 0.00 C ATOM 642 CG TRP A 45 8.464 3.857 -0.782 1.00 0.00 C ATOM 643 CD1 TRP A 45 9.440 2.983 -1.169 1.00 0.00 C ATOM 644 CD2 TRP A 45 7.801 3.252 0.330 1.00 0.00 C ATOM 645 NE1 TRP A 45 9.406 1.867 -0.379 1.00 0.00 N ATOM 646 CE2 TRP A 45 8.414 2.015 0.548 1.00 0.00 C ATOM 647 CE3 TRP A 45 6.746 3.630 1.165 1.00 0.00 C ATOM 648 CZ2 TRP A 45 8.003 1.162 1.549 1.00 0.00 C ATOM 649 CZ3 TRP A 45 6.341 2.777 2.158 1.00 0.00 C ATOM 650 CH2 TRP A 45 6.967 1.557 2.342 1.00 0.00 C ATOM 0 H TRP A 45 7.108 3.136 -3.642 1.00 0.00 H new ATOM 0 HA TRP A 45 6.189 4.508 -2.141 1.00 0.00 H new ATOM 0 HB2 TRP A 45 9.012 5.625 -1.826 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.695 5.837 -0.690 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.135 3.149 -1.979 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.020 1.058 -0.468 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.256 4.583 1.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.487 0.209 1.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.524 3.060 2.805 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.627 0.903 3.132 1.00 0.00 H new ATOM 661 N ASP A 46 5.872 6.136 -4.250 1.00 0.00 N ATOM 662 CA ASP A 46 5.365 7.313 -4.934 1.00 0.00 C ATOM 663 C ASP A 46 4.212 7.861 -4.119 1.00 0.00 C ATOM 664 O ASP A 46 4.040 9.072 -3.976 1.00 0.00 O ATOM 665 CB ASP A 46 4.910 6.973 -6.355 1.00 0.00 C ATOM 666 CG ASP A 46 5.187 8.096 -7.335 1.00 0.00 C ATOM 667 OD1 ASP A 46 4.844 9.256 -7.022 1.00 0.00 O ATOM 668 OD2 ASP A 46 5.748 7.816 -8.415 1.00 0.00 O ATOM 0 H ASP A 46 5.538 5.250 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 46 6.155 8.059 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.418 6.069 -6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.842 6.755 -6.349 1.00 0.00 H new ATOM 673 N TYR A 47 3.454 6.931 -3.549 1.00 0.00 N ATOM 674 CA TYR A 47 2.325 7.234 -2.686 1.00 0.00 C ATOM 675 C TYR A 47 1.029 7.449 -3.453 1.00 0.00 C ATOM 676 O TYR A 47 -0.058 7.329 -2.887 1.00 0.00 O ATOM 677 CB TYR A 47 2.603 8.448 -1.809 1.00 0.00 C ATOM 678 CG TYR A 47 1.619 8.567 -0.686 1.00 0.00 C ATOM 679 CD1 TYR A 47 0.389 9.169 -0.899 1.00 0.00 C ATOM 680 CD2 TYR A 47 1.904 8.066 0.580 1.00 0.00 C ATOM 681 CE1 TYR A 47 -0.535 9.277 0.112 1.00 0.00 C ATOM 682 CE2 TYR A 47 0.983 8.171 1.602 1.00 0.00 C ATOM 683 CZ TYR A 47 -0.238 8.780 1.362 1.00 0.00 C ATOM 684 OH TYR A 47 -1.161 8.890 2.371 1.00 0.00 O ATOM 0 H TYR A 47 3.611 5.931 -3.677 1.00 0.00 H new ATOM 0 HA TYR A 47 2.195 6.354 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.611 8.377 -1.401 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.568 9.351 -2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.153 9.560 -1.877 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.856 7.590 0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.489 9.749 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.212 7.781 2.583 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.704 9.693 2.231 1.00 0.00 H new ATOM 694 N THR A 48 1.135 7.765 -4.730 1.00 0.00 N ATOM 695 CA THR A 48 -0.048 7.992 -5.543 1.00 0.00 C ATOM 696 C THR A 48 -0.194 6.891 -6.583 1.00 0.00 C ATOM 697 O THR A 48 -1.272 6.325 -6.761 1.00 0.00 O ATOM 698 CB THR A 48 0.026 9.358 -6.228 1.00 0.00 C ATOM 699 OG1 THR A 48 0.855 10.242 -5.495 1.00 0.00 O ATOM 700 CG2 THR A 48 -1.325 10.021 -6.389 1.00 0.00 C ATOM 0 H THR A 48 2.021 7.870 -5.225 1.00 0.00 H new ATOM 0 HA THR A 48 -0.922 7.977 -4.891 1.00 0.00 H new ATOM 0 HB THR A 48 0.436 9.163 -7.219 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.891 11.109 -5.950 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.201 10.985 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.972 9.386 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.776 10.170 -5.408 1.00 0.00 H new ATOM 708 N ARG A 49 0.907 6.587 -7.262 1.00 0.00 N ATOM 709 CA ARG A 49 0.912 5.545 -8.279 1.00 0.00 C ATOM 710 C ARG A 49 0.904 4.169 -7.629 1.00 0.00 C ATOM 711 O ARG A 49 0.443 3.194 -8.223 1.00 0.00 O ATOM 712 CB ARG A 49 2.135 5.691 -9.187 1.00 0.00 C ATOM 713 CG ARG A 49 1.881 5.266 -10.624 1.00 0.00 C ATOM 714 CD ARG A 49 1.181 3.919 -10.692 1.00 0.00 C ATOM 715 NE ARG A 49 1.102 3.412 -12.060 1.00 0.00 N ATOM 716 CZ ARG A 49 2.155 2.990 -12.750 1.00 0.00 C ATOM 717 NH1 ARG A 49 3.363 3.013 -12.202 1.00 0.00 N ATOM 718 NH2 ARG A 49 2.003 2.542 -13.989 1.00 0.00 N ATOM 0 H ARG A 49 1.807 7.048 -7.126 1.00 0.00 H new ATOM 0 HA ARG A 49 0.012 5.651 -8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.462 6.731 -9.177 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.952 5.096 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.272 6.019 -11.125 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.828 5.212 -11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.715 3.201 -10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.176 4.012 -10.281 1.00 0.00 H new ATOM 0 HE ARG A 49 0.187 3.380 -12.510 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.484 3.355 -11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.171 2.688 -12.734 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.076 2.521 -14.414 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.813 2.218 -14.517 1.00 0.00 H new ATOM 732 N SER A 50 1.400 4.097 -6.397 1.00 0.00 N ATOM 733 CA SER A 50 1.428 2.840 -5.669 1.00 0.00 C ATOM 734 C SER A 50 0.012 2.430 -5.311 1.00 0.00 C ATOM 735 O SER A 50 -0.506 1.451 -5.836 1.00 0.00 O ATOM 736 CB SER A 50 2.279 2.968 -4.405 1.00 0.00 C ATOM 737 OG SER A 50 3.638 2.683 -4.676 1.00 0.00 O ATOM 0 H SER A 50 1.785 4.892 -5.887 1.00 0.00 H new ATOM 0 HA SER A 50 1.875 2.074 -6.303 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.189 3.977 -4.003 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.906 2.286 -3.641 1.00 0.00 H new ATOM 0 HG SER A 50 3.732 1.738 -4.918 1.00 0.00 H new ATOM 743 N ALA A 51 -0.616 3.198 -4.425 1.00 0.00 N ATOM 744 CA ALA A 51 -1.989 2.921 -4.013 1.00 0.00 C ATOM 745 C ALA A 51 -2.882 2.648 -5.217 1.00 0.00 C ATOM 746 O ALA A 51 -3.876 1.937 -5.111 1.00 0.00 O ATOM 747 CB ALA A 51 -2.545 4.073 -3.198 1.00 0.00 C ATOM 0 H ALA A 51 -0.198 4.015 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.975 2.026 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.569 3.847 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.932 4.218 -2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.534 4.982 -3.799 1.00 0.00 H new ATOM 753 N GLN A 52 -2.526 3.212 -6.366 1.00 0.00 N ATOM 754 CA GLN A 52 -3.312 3.007 -7.576 1.00 0.00 C ATOM 755 C GLN A 52 -3.281 1.542 -7.990 1.00 0.00 C ATOM 756 O GLN A 52 -4.325 0.925 -8.208 1.00 0.00 O ATOM 757 CB GLN A 52 -2.792 3.889 -8.713 1.00 0.00 C ATOM 758 CG GLN A 52 -3.681 5.087 -9.007 1.00 0.00 C ATOM 759 CD GLN A 52 -3.810 5.365 -10.492 1.00 0.00 C ATOM 760 OE1 GLN A 52 -2.883 5.872 -11.123 1.00 0.00 O ATOM 761 NE2 GLN A 52 -4.965 5.035 -11.059 1.00 0.00 N ATOM 0 H GLN A 52 -1.707 3.808 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.344 3.288 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.792 4.242 -8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.698 3.286 -9.616 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.671 4.912 -8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.274 5.968 -8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.707 4.617 -10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.110 5.200 -12.055 1.00 0.00 H new ATOM 770 N ALA A 53 -2.081 0.984 -8.080 1.00 0.00 N ATOM 771 CA ALA A 53 -1.919 -0.415 -8.447 1.00 0.00 C ATOM 772 C ALA A 53 -2.400 -1.327 -7.325 1.00 0.00 C ATOM 773 O ALA A 53 -2.711 -2.496 -7.548 1.00 0.00 O ATOM 774 CB ALA A 53 -0.463 -0.702 -8.761 1.00 0.00 C ATOM 0 H ALA A 53 -1.207 1.479 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.523 -0.612 -9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.350 -1.751 -9.035 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.139 -0.073 -9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.147 -0.488 -7.884 1.00 0.00 H new ATOM 780 N PHE A 54 -2.454 -0.779 -6.116 1.00 0.00 N ATOM 781 CA PHE A 54 -2.888 -1.520 -4.949 1.00 0.00 C ATOM 782 C PHE A 54 -4.389 -1.766 -5.006 1.00 0.00 C ATOM 783 O PHE A 54 -4.866 -2.826 -4.606 1.00 0.00 O ATOM 784 CB PHE A 54 -2.472 -0.746 -3.676 1.00 0.00 C ATOM 785 CG PHE A 54 -3.540 -0.575 -2.618 1.00 0.00 C ATOM 786 CD1 PHE A 54 -3.937 -1.649 -1.841 1.00 0.00 C ATOM 787 CD2 PHE A 54 -4.139 0.660 -2.404 1.00 0.00 C ATOM 788 CE1 PHE A 54 -4.907 -1.496 -0.871 1.00 0.00 C ATOM 789 CE2 PHE A 54 -5.110 0.816 -1.432 1.00 0.00 C ATOM 790 CZ PHE A 54 -5.490 -0.263 -0.668 1.00 0.00 C ATOM 0 H PHE A 54 -2.198 0.189 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.407 -2.498 -4.926 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.623 -1.259 -3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.125 0.243 -3.975 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.483 -2.617 -1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.843 1.508 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.209 -2.342 -0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.568 1.781 -1.273 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.247 -0.144 0.093 1.00 0.00 H new ATOM 800 N THR A 55 -5.131 -0.779 -5.498 1.00 0.00 N ATOM 801 CA THR A 55 -6.575 -0.906 -5.584 1.00 0.00 C ATOM 802 C THR A 55 -6.977 -2.004 -6.564 1.00 0.00 C ATOM 803 O THR A 55 -8.096 -2.515 -6.509 1.00 0.00 O ATOM 804 CB THR A 55 -7.226 0.419 -5.983 1.00 0.00 C ATOM 805 OG1 THR A 55 -7.312 0.535 -7.393 1.00 0.00 O ATOM 806 CG2 THR A 55 -6.495 1.638 -5.466 1.00 0.00 C ATOM 0 H THR A 55 -4.758 0.107 -5.839 1.00 0.00 H new ATOM 0 HA THR A 55 -6.934 -1.181 -4.592 1.00 0.00 H new ATOM 0 HB THR A 55 -8.215 0.394 -5.526 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.415 0.665 -7.766 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.016 2.539 -5.789 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.463 1.608 -4.377 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.478 1.646 -5.859 1.00 0.00 H new ATOM 814 N HIS A 56 -6.063 -2.365 -7.458 1.00 0.00 N ATOM 815 CA HIS A 56 -6.330 -3.404 -8.443 1.00 0.00 C ATOM 816 C HIS A 56 -6.333 -4.786 -7.796 1.00 0.00 C ATOM 817 O HIS A 56 -6.991 -5.707 -8.278 1.00 0.00 O ATOM 818 CB HIS A 56 -5.281 -3.359 -9.553 1.00 0.00 C ATOM 819 CG HIS A 56 -5.645 -4.173 -10.756 1.00 0.00 C ATOM 820 ND1 HIS A 56 -4.723 -4.762 -11.593 1.00 0.00 N ATOM 821 CD2 HIS A 56 -6.865 -4.496 -11.256 1.00 0.00 C ATOM 822 CE1 HIS A 56 -5.396 -5.408 -12.555 1.00 0.00 C ATOM 823 NE2 HIS A 56 -6.699 -5.278 -12.396 1.00 0.00 N ATOM 0 H HIS A 56 -5.132 -1.953 -7.520 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.317 -3.219 -8.868 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.131 -2.323 -9.858 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.330 -3.716 -9.157 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.813 -4.194 -10.836 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.932 -5.963 -13.357 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.433 -5.669 -12.986 1.00 0.00 H new ATOM 831 N LEU A 57 -5.581 -4.928 -6.709 1.00 0.00 N ATOM 832 CA LEU A 57 -5.488 -6.205 -6.007 1.00 0.00 C ATOM 833 C LEU A 57 -6.527 -6.323 -4.893 1.00 0.00 C ATOM 834 O LEU A 57 -6.824 -7.425 -4.432 1.00 0.00 O ATOM 835 CB LEU A 57 -4.088 -6.391 -5.420 1.00 0.00 C ATOM 836 CG LEU A 57 -2.940 -6.034 -6.362 1.00 0.00 C ATOM 837 CD1 LEU A 57 -2.383 -4.664 -6.018 1.00 0.00 C ATOM 838 CD2 LEU A 57 -1.847 -7.090 -6.293 1.00 0.00 C ATOM 0 H LEU A 57 -5.028 -4.177 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.687 -6.988 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.003 -5.781 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.975 -7.430 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.323 -6.005 -7.382 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.565 -4.423 -6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.170 -3.916 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.013 -4.669 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.037 -6.820 -6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.463 -7.151 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.257 -8.057 -6.585 1.00 0.00 H new ATOM 850 N LYS A 58 -7.071 -5.192 -4.454 1.00 0.00 N ATOM 851 CA LYS A 58 -8.064 -5.197 -3.384 1.00 0.00 C ATOM 852 C LYS A 58 -9.259 -6.077 -3.738 1.00 0.00 C ATOM 853 O LYS A 58 -9.722 -6.870 -2.917 1.00 0.00 O ATOM 854 CB LYS A 58 -8.544 -3.779 -3.080 1.00 0.00 C ATOM 855 CG LYS A 58 -7.427 -2.820 -2.699 1.00 0.00 C ATOM 856 CD LYS A 58 -7.952 -1.421 -2.386 1.00 0.00 C ATOM 857 CE LYS A 58 -9.002 -0.954 -3.388 1.00 0.00 C ATOM 858 NZ LYS A 58 -10.385 -1.207 -2.901 1.00 0.00 N ATOM 0 H LYS A 58 -6.844 -4.267 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.581 -5.608 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.064 -3.387 -3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.270 -3.818 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.896 -3.210 -1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.706 -2.762 -3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.382 -1.413 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.120 -0.717 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.873 0.112 -3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.852 -1.468 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.024 -0.476 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.702 -2.143 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.397 -1.179 -1.861 1.00 0.00 H new ATOM 872 N ALA A 59 -9.761 -5.927 -4.957 1.00 0.00 N ATOM 873 CA ALA A 59 -10.911 -6.704 -5.408 1.00 0.00 C ATOM 874 C ALA A 59 -10.673 -7.319 -6.780 1.00 0.00 C ATOM 875 O ALA A 59 -11.471 -7.143 -7.701 1.00 0.00 O ATOM 876 CB ALA A 59 -12.149 -5.834 -5.439 1.00 0.00 C ATOM 0 H ALA A 59 -9.392 -5.276 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.057 -7.518 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -13.000 -6.425 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.348 -5.449 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.991 -5.001 -6.123 1.00 0.00 H new ATOM 882 N LYS A 60 -9.572 -8.038 -6.905 1.00 0.00 N ATOM 883 CA LYS A 60 -9.217 -8.688 -8.162 1.00 0.00 C ATOM 884 C LYS A 60 -7.928 -9.481 -8.008 1.00 0.00 C ATOM 885 O LYS A 60 -7.779 -10.570 -8.563 1.00 0.00 O ATOM 886 CB LYS A 60 -9.050 -7.644 -9.265 1.00 0.00 C ATOM 887 CG LYS A 60 -9.457 -8.143 -10.639 1.00 0.00 C ATOM 888 CD LYS A 60 -8.644 -9.358 -11.054 1.00 0.00 C ATOM 889 CE LYS A 60 -8.675 -9.561 -12.560 1.00 0.00 C ATOM 890 NZ LYS A 60 -10.019 -9.993 -13.034 1.00 0.00 N ATOM 0 H LYS A 60 -8.903 -8.189 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.021 -9.372 -8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.645 -6.765 -9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.008 -7.325 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.517 -8.397 -10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.322 -7.347 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.612 -9.237 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.036 -10.246 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.396 -8.632 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.933 -10.309 -12.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.999 -10.121 -14.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.275 -10.892 -12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.723 -9.268 -12.789 1.00 0.00 H new ATOM 904 N GLY A 61 -7.002 -8.915 -7.252 1.00 0.00 N ATOM 905 CA GLY A 61 -5.723 -9.560 -7.023 1.00 0.00 C ATOM 906 C GLY A 61 -5.808 -10.673 -5.997 1.00 0.00 C ATOM 907 O GLY A 61 -6.257 -11.776 -6.307 1.00 0.00 O ATOM 0 H GLY A 61 -7.113 -8.013 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.351 -9.966 -7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.000 -8.816 -6.688 1.00 0.00 H new ATOM 911 N GLU A 62 -5.374 -10.387 -4.773 1.00 0.00 N ATOM 912 CA GLU A 62 -5.406 -11.382 -3.708 1.00 0.00 C ATOM 913 C GLU A 62 -5.284 -10.734 -2.331 1.00 0.00 C ATOM 914 O GLU A 62 -4.824 -11.366 -1.380 1.00 0.00 O ATOM 915 CB GLU A 62 -4.281 -12.400 -3.903 1.00 0.00 C ATOM 916 CG GLU A 62 -2.997 -11.792 -4.443 1.00 0.00 C ATOM 917 CD GLU A 62 -2.042 -12.835 -4.987 1.00 0.00 C ATOM 918 OE1 GLU A 62 -2.147 -13.171 -6.185 1.00 0.00 O ATOM 919 OE2 GLU A 62 -1.187 -13.317 -4.214 1.00 0.00 O ATOM 0 H GLU A 62 -4.998 -9.480 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.369 -11.890 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.071 -12.884 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.621 -13.178 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.240 -11.081 -5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.503 -11.231 -3.649 1.00 0.00 H new ATOM 926 N ILE A 63 -5.704 -9.476 -2.221 1.00 0.00 N ATOM 927 CA ILE A 63 -5.638 -8.769 -0.948 1.00 0.00 C ATOM 928 C ILE A 63 -6.598 -9.390 0.062 1.00 0.00 C ATOM 929 O ILE A 63 -7.815 -9.339 -0.120 1.00 0.00 O ATOM 930 CB ILE A 63 -5.983 -7.267 -1.100 1.00 0.00 C ATOM 931 CG1 ILE A 63 -4.935 -6.570 -1.971 1.00 0.00 C ATOM 932 CG2 ILE A 63 -6.082 -6.589 0.269 1.00 0.00 C ATOM 933 CD1 ILE A 63 -5.085 -5.065 -2.014 1.00 0.00 C ATOM 0 H ILE A 63 -6.090 -8.930 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.611 -8.858 -0.594 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.954 -7.184 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.942 -6.817 -1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.000 -6.962 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.325 -5.535 0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.863 -7.070 0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.128 -6.679 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.308 -4.640 -2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.065 -4.808 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.990 -4.661 -1.006 1.00 0.00 H new ATOM 945 N PRO A 64 -6.073 -9.960 1.154 1.00 0.00 N ATOM 946 CA PRO A 64 -6.903 -10.553 2.186 1.00 0.00 C ATOM 947 C PRO A 64 -7.402 -9.492 3.163 1.00 0.00 C ATOM 948 O PRO A 64 -6.815 -8.417 3.278 1.00 0.00 O ATOM 949 CB PRO A 64 -5.949 -11.531 2.858 1.00 0.00 C ATOM 950 CG PRO A 64 -4.616 -10.868 2.758 1.00 0.00 C ATOM 951 CD PRO A 64 -4.637 -10.055 1.486 1.00 0.00 C ATOM 0 HA PRO A 64 -7.805 -11.031 1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.228 -11.710 3.896 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.951 -12.499 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.434 -10.230 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.816 -11.608 2.733 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.194 -9.070 1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.074 -10.542 0.690 1.00 0.00 H new ATOM 959 N GLU A 65 -8.497 -9.790 3.841 1.00 0.00 N ATOM 960 CA GLU A 65 -9.098 -8.857 4.788 1.00 0.00 C ATOM 961 C GLU A 65 -8.154 -8.508 5.933 1.00 0.00 C ATOM 962 O GLU A 65 -8.228 -7.418 6.495 1.00 0.00 O ATOM 963 CB GLU A 65 -10.388 -9.449 5.328 1.00 0.00 C ATOM 964 CG GLU A 65 -11.028 -8.626 6.435 1.00 0.00 C ATOM 965 CD GLU A 65 -12.449 -8.212 6.106 1.00 0.00 C ATOM 966 OE1 GLU A 65 -12.644 -7.516 5.086 1.00 0.00 O ATOM 967 OE2 GLU A 65 -13.367 -8.584 6.866 1.00 0.00 O ATOM 0 H GLU A 65 -8.994 -10.677 3.754 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.309 -7.929 4.257 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.099 -9.553 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.186 -10.452 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.026 -9.204 7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.426 -7.735 6.615 1.00 0.00 H new ATOM 974 N VAL A 66 -7.260 -9.430 6.277 1.00 0.00 N ATOM 975 CA VAL A 66 -6.295 -9.191 7.352 1.00 0.00 C ATOM 976 C VAL A 66 -5.636 -7.821 7.172 1.00 0.00 C ATOM 977 O VAL A 66 -5.227 -7.175 8.136 1.00 0.00 O ATOM 978 CB VAL A 66 -5.212 -10.296 7.380 1.00 0.00 C ATOM 979 CG1 VAL A 66 -4.651 -10.520 5.993 1.00 0.00 C ATOM 980 CG2 VAL A 66 -4.085 -9.970 8.349 1.00 0.00 C ATOM 0 H VAL A 66 -7.181 -10.345 5.832 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.831 -9.211 8.301 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.694 -11.209 7.729 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.891 -11.300 6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.453 -10.826 5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.205 -9.595 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.349 -10.774 8.335 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.608 -9.036 8.052 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.489 -9.866 9.356 1.00 0.00 H new ATOM 990 N ALA A 67 -5.549 -7.391 5.919 1.00 0.00 N ATOM 991 CA ALA A 67 -4.955 -6.106 5.574 1.00 0.00 C ATOM 992 C ALA A 67 -5.915 -4.955 5.859 1.00 0.00 C ATOM 993 O ALA A 67 -5.512 -3.911 6.373 1.00 0.00 O ATOM 994 CB ALA A 67 -4.561 -6.105 4.111 1.00 0.00 C ATOM 0 H ALA A 67 -5.887 -7.922 5.116 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.069 -5.961 6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.117 -5.143 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.837 -6.899 3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.445 -6.272 3.496 1.00 0.00 H new ATOM 1000 N PHE A 68 -7.184 -5.151 5.508 1.00 0.00 N ATOM 1001 CA PHE A 68 -8.212 -4.131 5.715 1.00 0.00 C ATOM 1002 C PHE A 68 -8.783 -4.184 7.134 1.00 0.00 C ATOM 1003 O PHE A 68 -9.999 -4.155 7.317 1.00 0.00 O ATOM 1004 CB PHE A 68 -9.354 -4.317 4.715 1.00 0.00 C ATOM 1005 CG PHE A 68 -8.946 -4.236 3.285 1.00 0.00 C ATOM 1006 CD1 PHE A 68 -8.640 -3.020 2.709 1.00 0.00 C ATOM 1007 CD2 PHE A 68 -8.898 -5.376 2.512 1.00 0.00 C ATOM 1008 CE1 PHE A 68 -8.286 -2.944 1.383 1.00 0.00 C ATOM 1009 CE2 PHE A 68 -8.550 -5.309 1.186 1.00 0.00 C ATOM 1010 CZ PHE A 68 -8.241 -4.091 0.615 1.00 0.00 C ATOM 0 H PHE A 68 -7.527 -6.010 5.077 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.738 -3.161 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.820 -5.286 4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.114 -3.559 4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.679 -2.120 3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.137 -6.332 2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -8.043 -1.988 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.518 -6.209 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.965 -4.035 -0.428 1.00 0.00 H new ATOM 1020 N MET A 69 -7.910 -4.259 8.134 1.00 0.00 N ATOM 1021 CA MET A 69 -8.346 -4.312 9.526 1.00 0.00 C ATOM 1022 C MET A 69 -9.455 -5.344 9.718 1.00 0.00 C ATOM 1023 O MET A 69 -10.596 -4.994 10.020 1.00 0.00 O ATOM 1024 CB MET A 69 -8.832 -2.935 9.983 1.00 0.00 C ATOM 1025 CG MET A 69 -7.743 -2.083 10.611 1.00 0.00 C ATOM 1026 SD MET A 69 -8.226 -0.354 10.784 1.00 0.00 S ATOM 1027 CE MET A 69 -9.836 -0.528 11.550 1.00 0.00 C ATOM 0 H MET A 69 -6.898 -4.284 8.007 1.00 0.00 H new ATOM 0 HA MET A 69 -7.491 -4.611 10.133 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.249 -2.404 9.127 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.640 -3.065 10.703 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.492 -2.486 11.592 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.842 -2.145 10.001 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.141 0.427 11.977 1.00 0.00 H new ATOM 0 HE2 MET A 69 -10.564 -0.839 10.801 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.784 -1.278 12.339 1.00 0.00 H new ATOM 1037 N LYS A 70 -9.111 -6.616 9.540 1.00 0.00 N ATOM 1038 CA LYS A 70 -10.073 -7.706 9.691 1.00 0.00 C ATOM 1039 C LYS A 70 -10.924 -7.525 10.946 1.00 0.00 C ATOM 1040 O LYS A 70 -12.135 -7.823 10.886 1.00 0.00 O ATOM 1041 CB LYS A 70 -9.342 -9.050 9.752 1.00 0.00 C ATOM 1042 CG LYS A 70 -8.560 -9.256 11.040 1.00 0.00 C ATOM 1043 CD LYS A 70 -7.128 -9.684 10.765 1.00 0.00 C ATOM 1044 CE LYS A 70 -6.213 -8.484 10.570 1.00 0.00 C ATOM 1045 NZ LYS A 70 -5.316 -8.274 11.740 1.00 0.00 N ATOM 1046 OXT LYS A 70 -10.371 -7.087 11.977 1.00 0.00 O ATOM 0 H LYS A 70 -8.170 -6.919 9.290 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.734 -7.691 8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.069 -9.855 9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.659 -9.122 8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.559 -8.331 11.617 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.055 -10.012 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.763 -10.290 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.100 -10.312 9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.611 -8.628 9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.816 -7.590 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.709 -7.447 11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.889 -8.111 12.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.722 -9.117 11.878 1.00 0.00 H new