USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 720 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 64 SER OG : rot -33:sc= -0.183! USER MOD Set 1.2: A 78 ASN : amide:sc= 1.11 K(o=2,f=-6.9!) USER MOD Set 1.3: A 98 TYR OH : rot -145:sc= 1.04 USER MOD Set 2.1: A 66 ASN : amide:sc= 1.02 K(o=1.8,f=-0.96!) USER MOD Set 2.2: A 67 CYS SG : rot -39:sc= 0.163 USER MOD Set 2.3: A 70 CYS SG : rot -15:sc= 1.62 USER MOD Set 2.4: A 71 SER OG : rot 84:sc= 0.966 USER MOD Set 2.5: A 84 HIS : no HE2:sc= -1.69 K(o=1.8,f=3.1) USER MOD Set 2.6: A 101 CYS SG : rot 86:sc= -0.281 USER MOD Single : A 18 GLN : amide:sc= -2.84! C(o=-2.8!,f=-3.9!) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= 1.32 (180deg=1.22) USER MOD Single : A 23 GLN : amide:sc= -0.891 K(o=-0.89,f=0) USER MOD Single : A 24 MET CE :methyl 164:sc= -0.11 (180deg=-0.76) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.0982 (180deg=-0.368) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 176:sc= 0 (180deg=-0.0224) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 1.14 (180deg=1.14) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 35 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.068) USER MOD Single : A 39 LYS NZ :NH3+ 138:sc= -1.11 (180deg=-3.35!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= 1.22 (180deg=1.05) USER MOD Single : A 49 MET CE :methyl -148:sc= -1.86 (180deg=-4.96!) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.0451 (180deg=-0.253) USER MOD Single : A 53 SER OG : rot 79:sc= 0.876 USER MOD Single : A 55 ASN : amide:sc= -0.397 K(o=-0.4,f=-0.91) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -21:sc= -0.476 USER MOD Single : A 63 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.2!) USER MOD Single : A 65 LYS NZ :NH3+ -129:sc= 1.09 (180deg=-0.278!) USER MOD Single : A 68 SER OG : rot -166:sc= 0.186 USER MOD Single : A 69 TYR OH : rot 165:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.56) USER MOD Single : A 76 CYS SG : rot -7:sc= -1.11 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0.91) USER MOD Single : A 90 ASN : amide:sc= 0.635 K(o=0.64,f=0) USER MOD Single : A 93 SER OG : rot 7:sc= 0.302 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -167:sc= 0.0535 (180deg=-0.181) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -21.814 3.746 4.775 1.00 0.00 N ATOM 226 CA ASP A 16 -22.357 4.671 3.776 1.00 0.00 C ATOM 227 C ASP A 16 -21.320 5.708 3.361 1.00 0.00 C ATOM 228 O ASP A 16 -21.300 6.145 2.216 1.00 0.00 O ATOM 229 CB ASP A 16 -23.607 5.369 4.322 1.00 0.00 C ATOM 230 CG ASP A 16 -24.113 6.488 3.423 1.00 0.00 C ATOM 231 OD1 ASP A 16 -24.806 6.194 2.426 1.00 0.00 O ATOM 232 OD2 ASP A 16 -23.830 7.670 3.722 1.00 0.00 O ATOM 0 HA ASP A 16 -22.628 4.090 2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -24.399 4.631 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.385 5.777 5.308 1.00 0.00 H new ATOM 237 N PHE A 17 -20.451 6.082 4.295 1.00 0.00 N ATOM 238 CA PHE A 17 -19.392 7.047 4.022 1.00 0.00 C ATOM 239 C PHE A 17 -18.560 6.625 2.816 1.00 0.00 C ATOM 240 O PHE A 17 -18.430 7.376 1.852 1.00 0.00 O ATOM 241 CB PHE A 17 -18.484 7.203 5.245 1.00 0.00 C ATOM 242 CG PHE A 17 -17.370 8.189 5.040 1.00 0.00 C ATOM 243 CD1 PHE A 17 -17.583 9.541 5.244 1.00 0.00 C ATOM 244 CD2 PHE A 17 -16.112 7.764 4.636 1.00 0.00 C ATOM 245 CE1 PHE A 17 -16.564 10.452 5.051 1.00 0.00 C ATOM 246 CE2 PHE A 17 -15.090 8.671 4.440 1.00 0.00 C ATOM 247 CZ PHE A 17 -15.316 10.015 4.648 1.00 0.00 C ATOM 0 H PHE A 17 -20.460 5.729 5.252 1.00 0.00 H new ATOM 0 HA PHE A 17 -19.864 8.004 3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -19.086 7.519 6.097 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -18.058 6.232 5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -18.557 9.887 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.931 6.712 4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.742 11.505 5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.116 8.329 4.124 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.518 10.727 4.496 1.00 0.00 H new ATOM 257 N GLN A 18 -18.000 5.422 2.863 1.00 0.00 N ATOM 258 CA GLN A 18 -17.133 4.962 1.789 1.00 0.00 C ATOM 259 C GLN A 18 -17.955 4.650 0.547 1.00 0.00 C ATOM 260 O GLN A 18 -17.488 4.823 -0.578 1.00 0.00 O ATOM 261 CB GLN A 18 -16.294 3.753 2.239 1.00 0.00 C ATOM 262 CG GLN A 18 -17.036 2.413 2.304 1.00 0.00 C ATOM 263 CD GLN A 18 -17.039 1.617 1.000 1.00 0.00 C ATOM 264 OE1 GLN A 18 -17.961 0.853 0.752 1.00 0.00 O ATOM 265 NE2 GLN A 18 -16.015 1.762 0.168 1.00 0.00 N ATOM 0 H GLN A 18 -18.129 4.756 3.624 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.434 5.759 1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.450 3.647 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.882 3.967 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.584 1.801 3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -18.068 2.599 2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.258 2.406 0.398 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.985 1.229 -0.701 1.00 0.00 H new ATOM 274 N LYS A 19 -19.193 4.226 0.763 1.00 0.00 N ATOM 275 CA LYS A 19 -20.084 3.880 -0.330 1.00 0.00 C ATOM 276 C LYS A 19 -20.468 5.106 -1.145 1.00 0.00 C ATOM 277 O LYS A 19 -20.412 5.080 -2.370 1.00 0.00 O ATOM 278 CB LYS A 19 -21.328 3.176 0.205 1.00 0.00 C ATOM 279 CG LYS A 19 -21.055 1.763 0.686 1.00 0.00 C ATOM 280 CD LYS A 19 -20.590 0.859 -0.451 1.00 0.00 C ATOM 281 CE LYS A 19 -21.526 0.895 -1.649 1.00 0.00 C ATOM 282 NZ LYS A 19 -20.962 0.144 -2.804 1.00 0.00 N ATOM 0 H LYS A 19 -19.602 4.114 1.691 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.553 3.198 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.742 3.759 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.086 3.146 -0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.295 1.785 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.959 1.350 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.592 1.162 -0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.512 -0.165 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.490 0.468 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.707 1.930 -1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.727 -0.104 -3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.261 0.736 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.503 -0.725 -2.463 1.00 0.00 H new ATOM 296 N ARG A 20 -20.840 6.183 -0.472 1.00 0.00 N ATOM 297 CA ARG A 20 -21.192 7.417 -1.156 1.00 0.00 C ATOM 298 C ARG A 20 -19.942 8.064 -1.744 1.00 0.00 C ATOM 299 O ARG A 20 -20.013 8.772 -2.748 1.00 0.00 O ATOM 300 CB ARG A 20 -21.914 8.376 -0.205 1.00 0.00 C ATOM 301 CG ARG A 20 -21.044 8.918 0.915 1.00 0.00 C ATOM 302 CD ARG A 20 -21.887 9.558 2.003 1.00 0.00 C ATOM 303 NE ARG A 20 -22.672 10.687 1.506 1.00 0.00 N ATOM 304 CZ ARG A 20 -23.999 10.770 1.613 1.00 0.00 C ATOM 305 NH1 ARG A 20 -24.685 9.794 2.199 1.00 0.00 N ATOM 306 NH2 ARG A 20 -24.637 11.833 1.140 1.00 0.00 N ATOM 0 H ARG A 20 -20.906 6.228 0.545 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.875 7.184 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.307 9.213 -0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.769 7.860 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.449 8.110 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.345 9.652 0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -22.558 8.811 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.238 9.897 2.810 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.177 11.454 1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -24.197 8.978 2.569 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -25.700 9.861 2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.113 12.586 0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.652 11.897 1.222 1.00 0.00 H new ATOM 320 N LEU A 21 -18.795 7.783 -1.128 1.00 0.00 N ATOM 321 CA LEU A 21 -17.518 8.305 -1.594 1.00 0.00 C ATOM 322 C LEU A 21 -17.126 7.678 -2.931 1.00 0.00 C ATOM 323 O LEU A 21 -16.761 8.382 -3.873 1.00 0.00 O ATOM 324 CB LEU A 21 -16.430 8.041 -0.545 1.00 0.00 C ATOM 325 CG LEU A 21 -14.998 8.264 -1.024 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.756 9.732 -1.352 1.00 0.00 C ATOM 327 CD2 LEU A 21 -14.009 7.777 0.021 1.00 0.00 C ATOM 0 H LEU A 21 -18.728 7.192 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.619 9.380 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.613 8.685 0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.524 7.012 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.849 7.687 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.729 9.865 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.441 10.047 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.925 10.337 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.992 7.943 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.162 8.326 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.162 6.713 0.199 1.00 0.00 H new ATOM 339 N GLU A 22 -17.204 6.354 -3.016 1.00 0.00 N ATOM 340 CA GLU A 22 -16.939 5.661 -4.271 1.00 0.00 C ATOM 341 C GLU A 22 -18.060 5.916 -5.271 1.00 0.00 C ATOM 342 O GLU A 22 -17.830 5.948 -6.479 1.00 0.00 O ATOM 343 CB GLU A 22 -16.757 4.153 -4.057 1.00 0.00 C ATOM 344 CG GLU A 22 -17.945 3.460 -3.405 1.00 0.00 C ATOM 345 CD GLU A 22 -17.762 1.958 -3.305 1.00 0.00 C ATOM 346 OE1 GLU A 22 -16.728 1.513 -2.769 1.00 0.00 O ATOM 347 OE2 GLU A 22 -18.658 1.212 -3.764 1.00 0.00 O ATOM 0 H GLU A 22 -17.447 5.743 -2.236 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.007 6.058 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.563 3.683 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.874 3.991 -3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.097 3.871 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.846 3.675 -3.979 1.00 0.00 H new ATOM 354 N GLN A 23 -19.269 6.112 -4.756 1.00 0.00 N ATOM 355 CA GLN A 23 -20.437 6.350 -5.596 1.00 0.00 C ATOM 356 C GLN A 23 -20.295 7.659 -6.355 1.00 0.00 C ATOM 357 O GLN A 23 -20.409 7.685 -7.580 1.00 0.00 O ATOM 358 CB GLN A 23 -21.703 6.374 -4.744 1.00 0.00 C ATOM 359 CG GLN A 23 -22.987 6.309 -5.555 1.00 0.00 C ATOM 360 CD GLN A 23 -24.180 5.864 -4.730 1.00 0.00 C ATOM 361 OE1 GLN A 23 -25.111 5.246 -5.250 1.00 0.00 O ATOM 362 NE2 GLN A 23 -24.163 6.164 -3.441 1.00 0.00 N ATOM 0 H GLN A 23 -19.466 6.111 -3.755 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.511 5.537 -6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.679 5.534 -4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.709 7.284 -4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.192 7.291 -5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.850 5.621 -6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.374 6.677 -3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -24.939 5.882 -2.842 1.00 0.00 H new ATOM 371 N MET A 24 -20.040 8.744 -5.625 1.00 0.00 N ATOM 372 CA MET A 24 -19.850 10.047 -6.256 1.00 0.00 C ATOM 373 C MET A 24 -18.643 10.017 -7.189 1.00 0.00 C ATOM 374 O MET A 24 -18.672 10.606 -8.268 1.00 0.00 O ATOM 375 CB MET A 24 -19.691 11.172 -5.226 1.00 0.00 C ATOM 376 CG MET A 24 -18.524 10.996 -4.278 1.00 0.00 C ATOM 377 SD MET A 24 -18.119 12.497 -3.378 1.00 0.00 S ATOM 378 CE MET A 24 -19.723 12.870 -2.712 1.00 0.00 C ATOM 0 H MET A 24 -19.961 8.747 -4.608 1.00 0.00 H new ATOM 0 HA MET A 24 -20.749 10.257 -6.835 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.573 12.118 -5.755 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.609 11.245 -4.642 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.757 10.204 -3.566 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.650 10.670 -4.842 1.00 0.00 H new ATOM 0 HE1 MET A 24 -19.622 13.595 -1.904 1.00 0.00 H new ATOM 0 HE2 MET A 24 -20.355 13.287 -3.496 1.00 0.00 H new ATOM 0 HE3 MET A 24 -20.178 11.958 -2.326 1.00 0.00 H new ATOM 388 N LYS A 25 -17.592 9.319 -6.766 1.00 0.00 N ATOM 389 CA LYS A 25 -16.394 9.157 -7.580 1.00 0.00 C ATOM 390 C LYS A 25 -16.751 8.552 -8.933 1.00 0.00 C ATOM 391 O LYS A 25 -16.369 9.078 -9.976 1.00 0.00 O ATOM 392 CB LYS A 25 -15.381 8.261 -6.854 1.00 0.00 C ATOM 393 CG LYS A 25 -14.017 8.195 -7.527 1.00 0.00 C ATOM 394 CD LYS A 25 -13.299 9.535 -7.472 1.00 0.00 C ATOM 395 CE LYS A 25 -12.900 9.912 -6.051 1.00 0.00 C ATOM 396 NZ LYS A 25 -12.039 8.879 -5.410 1.00 0.00 N ATOM 0 H LYS A 25 -17.548 8.855 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.947 10.138 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.254 8.626 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.789 7.253 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.407 7.435 -7.040 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.138 7.889 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.409 9.495 -8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.945 10.310 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.370 10.864 -6.066 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.798 10.056 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.576 9.285 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.624 8.068 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.315 8.562 -6.086 1.00 0.00 H new ATOM 410 N GLU A 26 -17.503 7.456 -8.899 1.00 0.00 N ATOM 411 CA GLU A 26 -17.938 6.774 -10.112 1.00 0.00 C ATOM 412 C GLU A 26 -18.760 7.713 -10.992 1.00 0.00 C ATOM 413 O GLU A 26 -18.509 7.841 -12.190 1.00 0.00 O ATOM 414 CB GLU A 26 -18.777 5.550 -9.743 1.00 0.00 C ATOM 415 CG GLU A 26 -19.049 4.617 -10.910 1.00 0.00 C ATOM 416 CD GLU A 26 -17.790 3.950 -11.417 1.00 0.00 C ATOM 417 OE1 GLU A 26 -17.058 4.572 -12.217 1.00 0.00 O ATOM 418 OE2 GLU A 26 -17.518 2.803 -11.014 1.00 0.00 O ATOM 0 H GLU A 26 -17.826 7.019 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.055 6.458 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.265 4.994 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.728 5.885 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.764 3.853 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.512 5.179 -11.721 1.00 0.00 H new ATOM 425 N LYS A 27 -19.743 8.358 -10.377 1.00 0.00 N ATOM 426 CA LYS A 27 -20.608 9.319 -11.057 1.00 0.00 C ATOM 427 C LYS A 27 -19.801 10.381 -11.799 1.00 0.00 C ATOM 428 O LYS A 27 -20.016 10.621 -12.988 1.00 0.00 O ATOM 429 CB LYS A 27 -21.518 9.997 -10.035 1.00 0.00 C ATOM 430 CG LYS A 27 -22.528 9.057 -9.393 1.00 0.00 C ATOM 431 CD LYS A 27 -23.712 8.776 -10.307 1.00 0.00 C ATOM 432 CE LYS A 27 -24.564 10.019 -10.508 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.806 9.730 -11.272 1.00 0.00 N ATOM 0 H LYS A 27 -19.965 8.230 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.202 8.774 -11.791 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.902 10.443 -9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -22.053 10.812 -10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.037 8.118 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.886 9.493 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -23.352 8.420 -11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.322 7.980 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -24.826 10.439 -9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -23.982 10.775 -11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.356 10.606 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.557 9.354 -12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.375 9.028 -10.757 1.00 0.00 H new ATOM 447 N VAL A 28 -18.871 11.008 -11.086 1.00 0.00 N ATOM 448 CA VAL A 28 -18.061 12.088 -11.641 1.00 0.00 C ATOM 449 C VAL A 28 -17.197 11.594 -12.809 1.00 0.00 C ATOM 450 O VAL A 28 -16.992 12.313 -13.787 1.00 0.00 O ATOM 451 CB VAL A 28 -17.171 12.729 -10.543 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.233 13.769 -11.130 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.033 13.362 -9.457 1.00 0.00 C ATOM 0 H VAL A 28 -18.658 10.784 -10.114 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.742 12.848 -12.024 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.568 11.935 -10.102 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.623 14.199 -10.335 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.585 13.299 -11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.816 14.557 -11.607 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.391 13.806 -8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.663 14.135 -9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.662 12.598 -9.000 1.00 0.00 H new ATOM 463 N MET A 29 -16.737 10.350 -12.722 1.00 0.00 N ATOM 464 CA MET A 29 -15.895 9.759 -13.766 1.00 0.00 C ATOM 465 C MET A 29 -16.710 9.415 -15.014 1.00 0.00 C ATOM 466 O MET A 29 -16.151 9.052 -16.050 1.00 0.00 O ATOM 467 CB MET A 29 -15.212 8.488 -13.252 1.00 0.00 C ATOM 468 CG MET A 29 -14.236 8.721 -12.111 1.00 0.00 C ATOM 469 SD MET A 29 -12.800 9.697 -12.595 1.00 0.00 S ATOM 470 CE MET A 29 -11.881 9.717 -11.060 1.00 0.00 C ATOM 0 H MET A 29 -16.932 9.727 -11.938 1.00 0.00 H new ATOM 0 HA MET A 29 -15.142 10.501 -14.030 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.978 7.786 -12.922 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.681 8.015 -14.078 1.00 0.00 H new ATOM 0 HG2 MET A 29 -14.754 9.227 -11.296 1.00 0.00 H new ATOM 0 HG3 MET A 29 -13.900 7.758 -11.726 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.928 10.224 -11.213 1.00 0.00 H new ATOM 0 HE2 MET A 29 -12.455 10.246 -10.299 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.699 8.694 -10.731 1.00 0.00 H new ATOM 480 N LYS A 30 -18.029 9.518 -14.909 1.00 0.00 N ATOM 481 CA LYS A 30 -18.914 9.135 -16.005 1.00 0.00 C ATOM 482 C LYS A 30 -19.452 10.344 -16.757 1.00 0.00 C ATOM 483 O LYS A 30 -20.086 10.195 -17.803 1.00 0.00 O ATOM 484 CB LYS A 30 -20.090 8.310 -15.472 1.00 0.00 C ATOM 485 CG LYS A 30 -19.946 6.808 -15.663 1.00 0.00 C ATOM 486 CD LYS A 30 -18.668 6.274 -15.049 1.00 0.00 C ATOM 487 CE LYS A 30 -18.615 4.762 -15.136 1.00 0.00 C ATOM 488 NZ LYS A 30 -17.275 4.235 -14.777 1.00 0.00 N ATOM 0 H LYS A 30 -18.510 9.863 -14.078 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.322 8.539 -16.700 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.211 8.518 -14.409 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.003 8.640 -15.967 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.801 6.303 -15.215 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.960 6.576 -16.728 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.807 6.702 -15.563 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.604 6.584 -14.006 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.364 4.333 -14.470 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.870 4.447 -16.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.279 3.197 -14.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.563 4.624 -15.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.042 4.514 -13.802 1.00 0.00 H new ATOM 502 N ASP A 31 -19.210 11.536 -16.237 1.00 0.00 N ATOM 503 CA ASP A 31 -19.768 12.733 -16.848 1.00 0.00 C ATOM 504 C ASP A 31 -18.883 13.245 -17.975 1.00 0.00 C ATOM 505 O ASP A 31 -17.674 13.402 -17.808 1.00 0.00 O ATOM 506 CB ASP A 31 -19.975 13.836 -15.822 1.00 0.00 C ATOM 507 CG ASP A 31 -20.674 15.031 -16.433 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.878 14.924 -16.743 1.00 0.00 O ATOM 509 OD2 ASP A 31 -20.022 16.073 -16.631 1.00 0.00 O ATOM 0 H ASP A 31 -18.641 11.701 -15.407 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.737 12.453 -17.262 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.564 13.454 -14.988 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.011 14.144 -15.416 1.00 0.00 H new ATOM 514 N GLN A 32 -19.508 13.518 -19.113 1.00 0.00 N ATOM 515 CA GLN A 32 -18.801 13.982 -20.301 1.00 0.00 C ATOM 516 C GLN A 32 -18.140 15.336 -20.055 1.00 0.00 C ATOM 517 O GLN A 32 -16.997 15.558 -20.452 1.00 0.00 O ATOM 518 CB GLN A 32 -19.769 14.101 -21.477 1.00 0.00 C ATOM 519 CG GLN A 32 -20.525 12.820 -21.790 1.00 0.00 C ATOM 520 CD GLN A 32 -21.545 13.006 -22.895 1.00 0.00 C ATOM 521 OE1 GLN A 32 -21.361 13.825 -23.797 1.00 0.00 O ATOM 522 NE2 GLN A 32 -22.636 12.262 -22.829 1.00 0.00 N ATOM 0 H GLN A 32 -20.516 13.425 -19.239 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.026 13.251 -20.534 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.488 14.892 -21.263 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.212 14.407 -22.363 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -19.816 12.045 -22.081 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.029 12.470 -20.889 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.753 11.594 -22.067 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.361 12.356 -23.540 1.00 0.00 H new ATOM 531 N ASP A 33 -18.859 16.227 -19.383 1.00 0.00 N ATOM 532 CA ASP A 33 -18.380 17.586 -19.161 1.00 0.00 C ATOM 533 C ASP A 33 -17.200 17.583 -18.203 1.00 0.00 C ATOM 534 O ASP A 33 -16.190 18.245 -18.439 1.00 0.00 O ATOM 535 CB ASP A 33 -19.495 18.470 -18.596 1.00 0.00 C ATOM 536 CG ASP A 33 -20.704 18.570 -19.503 1.00 0.00 C ATOM 537 OD1 ASP A 33 -20.707 19.428 -20.408 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.671 17.806 -19.295 1.00 0.00 O ATOM 0 H ASP A 33 -19.777 16.033 -18.982 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.062 17.991 -20.122 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.807 18.074 -17.630 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.100 19.470 -18.418 1.00 0.00 H new ATOM 543 N VAL A 34 -17.338 16.827 -17.121 1.00 0.00 N ATOM 544 CA VAL A 34 -16.279 16.694 -16.128 1.00 0.00 C ATOM 545 C VAL A 34 -14.980 16.189 -16.757 1.00 0.00 C ATOM 546 O VAL A 34 -13.937 16.829 -16.641 1.00 0.00 O ATOM 547 CB VAL A 34 -16.701 15.745 -14.986 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.514 15.366 -14.114 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.784 16.391 -14.138 1.00 0.00 C ATOM 0 H VAL A 34 -18.180 16.293 -16.908 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.104 17.688 -15.717 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.094 14.834 -15.437 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.845 14.697 -13.319 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.762 14.863 -14.722 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.083 16.266 -13.675 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.072 15.711 -13.336 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.405 17.318 -13.709 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.652 16.608 -14.760 1.00 0.00 H new ATOM 559 N GLN A 35 -15.052 15.050 -17.433 1.00 0.00 N ATOM 560 CA GLN A 35 -13.860 14.433 -18.006 1.00 0.00 C ATOM 561 C GLN A 35 -13.255 15.303 -19.108 1.00 0.00 C ATOM 562 O GLN A 35 -12.039 15.322 -19.300 1.00 0.00 O ATOM 563 CB GLN A 35 -14.182 13.026 -18.518 1.00 0.00 C ATOM 564 CG GLN A 35 -15.236 12.978 -19.610 1.00 0.00 C ATOM 565 CD GLN A 35 -15.813 11.587 -19.823 1.00 0.00 C ATOM 566 OE1 GLN A 35 -16.138 11.207 -20.947 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.993 10.830 -18.746 1.00 0.00 N ATOM 0 H GLN A 35 -15.917 14.536 -17.598 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.110 14.346 -17.219 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.266 12.572 -18.895 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.518 12.416 -17.679 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.044 13.665 -19.357 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.799 13.330 -20.544 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.713 11.175 -17.828 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.412 9.904 -18.837 1.00 0.00 H new ATOM 576 N ALA A 36 -14.106 16.034 -19.816 1.00 0.00 N ATOM 577 CA ALA A 36 -13.646 16.990 -20.817 1.00 0.00 C ATOM 578 C ALA A 36 -12.887 18.135 -20.154 1.00 0.00 C ATOM 579 O ALA A 36 -11.845 18.567 -20.639 1.00 0.00 O ATOM 580 CB ALA A 36 -14.818 17.522 -21.625 1.00 0.00 C ATOM 0 H ALA A 36 -15.120 15.984 -19.716 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.966 16.476 -21.497 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.455 18.234 -22.367 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.317 16.695 -22.130 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.523 18.020 -20.959 1.00 0.00 H new ATOM 586 N PHE A 37 -13.413 18.615 -19.036 1.00 0.00 N ATOM 587 CA PHE A 37 -12.763 19.673 -18.272 1.00 0.00 C ATOM 588 C PHE A 37 -11.442 19.186 -17.693 1.00 0.00 C ATOM 589 O PHE A 37 -10.462 19.934 -17.640 1.00 0.00 O ATOM 590 CB PHE A 37 -13.679 20.159 -17.148 1.00 0.00 C ATOM 591 CG PHE A 37 -13.010 21.105 -16.188 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.672 22.390 -16.579 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.730 20.706 -14.891 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.064 23.260 -15.695 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.126 21.573 -14.002 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.794 22.852 -14.404 1.00 0.00 C ATOM 0 H PHE A 37 -14.292 18.287 -18.636 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.561 20.504 -18.947 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.546 20.653 -17.586 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.050 19.296 -16.595 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.886 22.715 -17.586 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.987 19.707 -14.572 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.800 24.258 -16.013 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.913 21.251 -12.993 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.324 23.532 -13.709 1.00 0.00 H new ATOM 606 N LEU A 38 -11.424 17.929 -17.265 1.00 0.00 N ATOM 607 CA LEU A 38 -10.225 17.332 -16.696 1.00 0.00 C ATOM 608 C LEU A 38 -9.064 17.387 -17.676 1.00 0.00 C ATOM 609 O LEU A 38 -7.957 17.748 -17.303 1.00 0.00 O ATOM 610 CB LEU A 38 -10.477 15.885 -16.269 1.00 0.00 C ATOM 611 CG LEU A 38 -10.631 15.678 -14.762 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.424 16.244 -14.029 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.915 16.314 -14.253 1.00 0.00 C ATOM 0 H LEU A 38 -12.229 17.304 -17.302 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.962 17.915 -15.813 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.379 15.527 -16.765 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.652 15.267 -16.624 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.688 14.607 -14.566 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.545 16.091 -12.957 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.521 15.736 -14.369 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.340 17.311 -14.236 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.000 16.152 -13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.897 17.384 -14.459 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.769 15.862 -14.757 1.00 0.00 H new ATOM 625 N LYS A 39 -9.325 17.046 -18.929 1.00 0.00 N ATOM 626 CA LYS A 39 -8.281 17.072 -19.949 1.00 0.00 C ATOM 627 C LYS A 39 -8.055 18.497 -20.454 1.00 0.00 C ATOM 628 O LYS A 39 -6.978 18.826 -20.948 1.00 0.00 O ATOM 629 CB LYS A 39 -8.630 16.141 -21.117 1.00 0.00 C ATOM 630 CG LYS A 39 -9.962 16.454 -21.775 1.00 0.00 C ATOM 631 CD LYS A 39 -10.286 15.505 -22.923 1.00 0.00 C ATOM 632 CE LYS A 39 -9.514 15.840 -24.195 1.00 0.00 C ATOM 633 NZ LYS A 39 -8.075 15.476 -24.115 1.00 0.00 N ATOM 0 H LYS A 39 -10.242 16.750 -19.265 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.358 16.715 -19.492 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.842 16.204 -21.867 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.646 15.112 -20.757 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.754 16.399 -21.028 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.947 17.478 -22.148 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.056 14.483 -22.621 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.355 15.543 -23.130 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.969 15.318 -25.037 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.602 16.908 -24.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.775 15.046 -25.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.510 16.331 -23.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.931 14.797 -23.341 1.00 0.00 H new ATOM 647 N GLU A 40 -9.076 19.332 -20.317 1.00 0.00 N ATOM 648 CA GLU A 40 -9.003 20.725 -20.744 1.00 0.00 C ATOM 649 C GLU A 40 -7.939 21.468 -19.947 1.00 0.00 C ATOM 650 O GLU A 40 -7.078 22.144 -20.506 1.00 0.00 O ATOM 651 CB GLU A 40 -10.365 21.401 -20.544 1.00 0.00 C ATOM 652 CG GLU A 40 -10.495 22.770 -21.201 1.00 0.00 C ATOM 653 CD GLU A 40 -11.835 23.435 -20.923 1.00 0.00 C ATOM 654 OE1 GLU A 40 -11.944 24.174 -19.920 1.00 0.00 O ATOM 655 OE2 GLU A 40 -12.783 23.245 -21.715 1.00 0.00 O ATOM 0 H GLU A 40 -9.973 19.067 -19.910 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.736 20.754 -21.800 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.142 20.747 -20.940 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.551 21.506 -19.475 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.693 23.416 -20.844 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.364 22.665 -22.278 1.00 0.00 H new ATOM 662 N ASN A 41 -8.009 21.326 -18.635 1.00 0.00 N ATOM 663 CA ASN A 41 -7.091 22.024 -17.744 1.00 0.00 C ATOM 664 C ASN A 41 -6.208 21.047 -16.987 1.00 0.00 C ATOM 665 O ASN A 41 -5.776 21.335 -15.874 1.00 0.00 O ATOM 666 CB ASN A 41 -7.869 22.893 -16.755 1.00 0.00 C ATOM 667 CG ASN A 41 -8.422 24.147 -17.395 1.00 0.00 C ATOM 668 OD1 ASN A 41 -7.759 25.181 -17.430 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.641 24.066 -17.907 1.00 0.00 N ATOM 0 H ASN A 41 -8.691 20.734 -18.160 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.451 22.660 -18.356 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.689 22.312 -16.333 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.216 23.169 -15.927 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.063 24.882 -18.351 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.158 23.188 -17.857 1.00 0.00 H new ATOM 676 N GLU A 42 -5.899 19.918 -17.614 1.00 0.00 N ATOM 677 CA GLU A 42 -5.141 18.849 -16.954 1.00 0.00 C ATOM 678 C GLU A 42 -3.753 19.315 -16.512 1.00 0.00 C ATOM 679 O GLU A 42 -3.157 18.741 -15.601 1.00 0.00 O ATOM 680 CB GLU A 42 -5.010 17.625 -17.868 1.00 0.00 C ATOM 681 CG GLU A 42 -4.239 17.882 -19.149 1.00 0.00 C ATOM 682 CD GLU A 42 -4.119 16.635 -20.000 1.00 0.00 C ATOM 683 OE1 GLU A 42 -3.626 15.608 -19.486 1.00 0.00 O ATOM 684 OE2 GLU A 42 -4.515 16.673 -21.181 1.00 0.00 O ATOM 0 H GLU A 42 -6.159 19.714 -18.579 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.703 18.572 -16.062 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.517 16.825 -17.316 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.008 17.269 -18.124 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.737 18.665 -19.721 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.243 18.251 -18.905 1.00 0.00 H new ATOM 691 N GLU A 43 -3.248 20.353 -17.159 1.00 0.00 N ATOM 692 CA GLU A 43 -1.930 20.885 -16.839 1.00 0.00 C ATOM 693 C GLU A 43 -2.016 21.878 -15.680 1.00 0.00 C ATOM 694 O GLU A 43 -1.059 22.069 -14.932 1.00 0.00 O ATOM 695 CB GLU A 43 -1.336 21.564 -18.074 1.00 0.00 C ATOM 696 CG GLU A 43 0.118 21.973 -17.916 1.00 0.00 C ATOM 697 CD GLU A 43 0.680 22.592 -19.177 1.00 0.00 C ATOM 698 OE1 GLU A 43 0.903 21.853 -20.157 1.00 0.00 O ATOM 699 OE2 GLU A 43 0.895 23.820 -19.202 1.00 0.00 O ATOM 0 H GLU A 43 -3.731 20.846 -17.910 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.283 20.062 -16.535 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.422 20.887 -18.924 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.928 22.449 -18.309 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.206 22.684 -17.094 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.712 21.099 -17.647 1.00 0.00 H new ATOM 706 N VAL A 44 -3.186 22.481 -15.518 1.00 0.00 N ATOM 707 CA VAL A 44 -3.376 23.539 -14.529 1.00 0.00 C ATOM 708 C VAL A 44 -3.958 22.982 -13.233 1.00 0.00 C ATOM 709 O VAL A 44 -3.546 23.369 -12.137 1.00 0.00 O ATOM 710 CB VAL A 44 -4.306 24.646 -15.069 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.382 25.813 -14.094 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.829 25.112 -16.437 1.00 0.00 C ATOM 0 H VAL A 44 -4.021 22.256 -16.059 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.394 23.967 -14.325 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.310 24.234 -15.175 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.043 26.581 -14.496 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.771 25.463 -13.138 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.386 26.232 -13.949 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.493 25.893 -16.807 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.816 25.506 -16.354 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.836 24.271 -17.131 1.00 0.00 H new ATOM 722 N ILE A 45 -4.905 22.068 -13.368 1.00 0.00 N ATOM 723 CA ILE A 45 -5.576 21.468 -12.221 1.00 0.00 C ATOM 724 C ILE A 45 -4.635 20.544 -11.467 1.00 0.00 C ATOM 725 O ILE A 45 -3.848 19.813 -12.069 1.00 0.00 O ATOM 726 CB ILE A 45 -6.816 20.659 -12.656 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.779 21.525 -13.462 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.526 20.072 -11.445 1.00 0.00 C ATOM 729 CD1 ILE A 45 -8.927 20.745 -14.060 1.00 0.00 C ATOM 0 H ILE A 45 -5.231 21.721 -14.270 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.889 22.286 -11.572 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.475 19.842 -13.292 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.178 22.309 -12.818 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.229 22.020 -14.263 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.397 19.505 -11.773 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.845 19.411 -10.909 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.845 20.878 -10.784 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.573 21.421 -14.620 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.536 19.979 -14.729 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.500 20.272 -13.262 1.00 0.00 H new ATOM 741 N ASP A 46 -4.723 20.579 -10.151 1.00 0.00 N ATOM 742 CA ASP A 46 -3.938 19.693 -9.312 1.00 0.00 C ATOM 743 C ASP A 46 -4.731 18.433 -9.024 1.00 0.00 C ATOM 744 O ASP A 46 -5.963 18.465 -8.992 1.00 0.00 O ATOM 745 CB ASP A 46 -3.579 20.354 -7.977 1.00 0.00 C ATOM 746 CG ASP A 46 -2.790 21.635 -8.127 1.00 0.00 C ATOM 747 OD1 ASP A 46 -1.555 21.561 -8.289 1.00 0.00 O ATOM 748 OD2 ASP A 46 -3.403 22.717 -8.045 1.00 0.00 O ATOM 0 H ASP A 46 -5.333 21.215 -9.638 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.018 19.459 -9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.496 20.565 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.002 19.650 -7.377 1.00 0.00 H new ATOM 753 N GLN A 47 -4.038 17.330 -8.814 1.00 0.00 N ATOM 754 CA GLN A 47 -4.693 16.112 -8.372 1.00 0.00 C ATOM 755 C GLN A 47 -5.348 16.359 -7.018 1.00 0.00 C ATOM 756 O GLN A 47 -6.447 15.871 -6.738 1.00 0.00 O ATOM 757 CB GLN A 47 -3.683 14.967 -8.291 1.00 0.00 C ATOM 758 CG GLN A 47 -3.083 14.610 -9.640 1.00 0.00 C ATOM 759 CD GLN A 47 -2.013 13.541 -9.554 1.00 0.00 C ATOM 760 OE1 GLN A 47 -1.297 13.432 -8.557 1.00 0.00 O ATOM 761 NE2 GLN A 47 -1.908 12.733 -10.597 1.00 0.00 N ATOM 0 H GLN A 47 -3.029 17.251 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.462 15.828 -9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.882 15.244 -7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.172 14.087 -7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.877 14.268 -10.304 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.656 15.507 -10.089 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.521 12.858 -11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.214 11.985 -10.595 1.00 0.00 H new ATOM 770 N LYS A 48 -4.675 17.162 -6.203 1.00 0.00 N ATOM 771 CA LYS A 48 -5.202 17.573 -4.913 1.00 0.00 C ATOM 772 C LYS A 48 -6.470 18.400 -5.098 1.00 0.00 C ATOM 773 O LYS A 48 -7.456 18.225 -4.381 1.00 0.00 O ATOM 774 CB LYS A 48 -4.161 18.400 -4.153 1.00 0.00 C ATOM 775 CG LYS A 48 -2.814 17.704 -3.986 1.00 0.00 C ATOM 776 CD LYS A 48 -2.962 16.288 -3.447 1.00 0.00 C ATOM 777 CE LYS A 48 -3.556 16.261 -2.049 1.00 0.00 C ATOM 778 NZ LYS A 48 -3.835 14.870 -1.607 1.00 0.00 N ATOM 0 H LYS A 48 -3.754 17.543 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.438 16.677 -4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.008 19.343 -4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.556 18.645 -3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.301 17.673 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.188 18.285 -3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.596 15.710 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.986 15.803 -3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.867 16.736 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.478 16.842 -2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.794 14.821 -0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.782 14.587 -1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.125 14.228 -2.013 1.00 0.00 H new ATOM 792 N MET A 49 -6.421 19.305 -6.073 1.00 0.00 N ATOM 793 CA MET A 49 -7.552 20.159 -6.415 1.00 0.00 C ATOM 794 C MET A 49 -8.791 19.322 -6.732 1.00 0.00 C ATOM 795 O MET A 49 -9.906 19.694 -6.370 1.00 0.00 O ATOM 796 CB MET A 49 -7.191 21.035 -7.618 1.00 0.00 C ATOM 797 CG MET A 49 -8.176 22.153 -7.885 1.00 0.00 C ATOM 798 SD MET A 49 -7.795 23.072 -9.394 1.00 0.00 S ATOM 799 CE MET A 49 -6.166 23.706 -9.019 1.00 0.00 C ATOM 0 H MET A 49 -5.594 19.466 -6.648 1.00 0.00 H new ATOM 0 HA MET A 49 -7.779 20.793 -5.558 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.203 21.466 -7.457 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.123 20.405 -8.505 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.180 21.736 -7.962 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.179 22.839 -7.038 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.031 24.672 -9.506 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.061 23.825 -7.941 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.412 23.008 -9.382 1.00 0.00 H new ATOM 809 N ILE A 50 -8.582 18.190 -7.397 1.00 0.00 N ATOM 810 CA ILE A 50 -9.670 17.280 -7.744 1.00 0.00 C ATOM 811 C ILE A 50 -10.330 16.719 -6.489 1.00 0.00 C ATOM 812 O ILE A 50 -11.553 16.755 -6.358 1.00 0.00 O ATOM 813 CB ILE A 50 -9.176 16.118 -8.637 1.00 0.00 C ATOM 814 CG1 ILE A 50 -8.701 16.661 -9.986 1.00 0.00 C ATOM 815 CG2 ILE A 50 -10.272 15.079 -8.836 1.00 0.00 C ATOM 816 CD1 ILE A 50 -9.775 17.406 -10.749 1.00 0.00 C ATOM 0 H ILE A 50 -7.662 17.879 -7.709 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.405 17.857 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.339 15.631 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.854 17.327 -9.823 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.342 15.832 -10.596 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.899 14.273 -9.468 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.570 14.674 -7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.133 15.546 -9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.368 17.763 -11.695 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.613 16.737 -10.944 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.118 18.255 -10.158 1.00 0.00 H new ATOM 828 N GLU A 51 -9.512 16.222 -5.564 1.00 0.00 N ATOM 829 CA GLU A 51 -10.017 15.683 -4.302 1.00 0.00 C ATOM 830 C GLU A 51 -10.808 16.743 -3.538 1.00 0.00 C ATOM 831 O GLU A 51 -11.839 16.455 -2.927 1.00 0.00 O ATOM 832 CB GLU A 51 -8.864 15.180 -3.428 1.00 0.00 C ATOM 833 CG GLU A 51 -8.029 14.085 -4.071 1.00 0.00 C ATOM 834 CD GLU A 51 -6.926 13.586 -3.157 1.00 0.00 C ATOM 835 OE1 GLU A 51 -5.816 14.158 -3.187 1.00 0.00 O ATOM 836 OE2 GLU A 51 -7.165 12.620 -2.401 1.00 0.00 O ATOM 0 H GLU A 51 -8.498 16.181 -5.664 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.677 14.848 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.215 16.021 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.271 14.807 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.676 13.251 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.589 14.462 -4.994 1.00 0.00 H new ATOM 843 N LYS A 52 -10.331 17.977 -3.598 1.00 0.00 N ATOM 844 CA LYS A 52 -10.931 19.071 -2.853 1.00 0.00 C ATOM 845 C LYS A 52 -12.209 19.574 -3.528 1.00 0.00 C ATOM 846 O LYS A 52 -13.129 20.043 -2.858 1.00 0.00 O ATOM 847 CB LYS A 52 -9.923 20.213 -2.722 1.00 0.00 C ATOM 848 CG LYS A 52 -10.281 21.228 -1.651 1.00 0.00 C ATOM 849 CD LYS A 52 -10.211 20.612 -0.261 1.00 0.00 C ATOM 850 CE LYS A 52 -10.510 21.630 0.831 1.00 0.00 C ATOM 851 NZ LYS A 52 -9.571 22.786 0.798 1.00 0.00 N ATOM 0 H LYS A 52 -9.523 18.246 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.201 18.703 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.941 19.795 -2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.841 20.725 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.600 22.077 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.285 21.611 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.922 19.789 -0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.219 20.190 -0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.532 21.992 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.450 21.144 1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.653 23.325 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.596 22.439 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.807 23.402 -0.006 1.00 0.00 H new ATOM 865 N SER A 53 -12.272 19.461 -4.848 1.00 0.00 N ATOM 866 CA SER A 53 -13.386 20.023 -5.604 1.00 0.00 C ATOM 867 C SER A 53 -14.343 18.939 -6.100 1.00 0.00 C ATOM 868 O SER A 53 -15.226 19.211 -6.912 1.00 0.00 O ATOM 869 CB SER A 53 -12.852 20.827 -6.787 1.00 0.00 C ATOM 870 OG SER A 53 -11.834 21.721 -6.371 1.00 0.00 O ATOM 0 H SER A 53 -11.569 18.988 -5.416 1.00 0.00 H new ATOM 0 HA SER A 53 -13.947 20.676 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.459 20.149 -7.545 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.666 21.386 -7.250 1.00 0.00 H new ATOM 0 HG SER A 53 -10.991 21.232 -6.268 1.00 0.00 H new ATOM 876 N LEU A 54 -14.183 17.719 -5.595 1.00 0.00 N ATOM 877 CA LEU A 54 -15.038 16.603 -5.983 1.00 0.00 C ATOM 878 C LEU A 54 -16.507 16.927 -5.706 1.00 0.00 C ATOM 879 O LEU A 54 -17.389 16.580 -6.491 1.00 0.00 O ATOM 880 CB LEU A 54 -14.620 15.334 -5.233 1.00 0.00 C ATOM 881 CG LEU A 54 -15.395 14.066 -5.604 1.00 0.00 C ATOM 882 CD1 LEU A 54 -15.238 13.757 -7.085 1.00 0.00 C ATOM 883 CD2 LEU A 54 -14.919 12.890 -4.765 1.00 0.00 C ATOM 0 H LEU A 54 -13.465 17.478 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.922 16.433 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.560 15.158 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.735 15.510 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.452 14.236 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.796 12.853 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.622 14.590 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.183 13.606 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.479 11.996 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.857 12.722 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.079 13.108 -3.709 1.00 0.00 H new ATOM 895 N ASN A 55 -16.753 17.609 -4.593 1.00 0.00 N ATOM 896 CA ASN A 55 -18.101 18.044 -4.232 1.00 0.00 C ATOM 897 C ASN A 55 -18.684 18.973 -5.299 1.00 0.00 C ATOM 898 O ASN A 55 -19.861 18.878 -5.635 1.00 0.00 O ATOM 899 CB ASN A 55 -18.100 18.739 -2.860 1.00 0.00 C ATOM 900 CG ASN A 55 -17.123 19.903 -2.776 1.00 0.00 C ATOM 901 OD1 ASN A 55 -17.456 21.039 -3.104 1.00 0.00 O ATOM 902 ND2 ASN A 55 -15.911 19.625 -2.318 1.00 0.00 N ATOM 0 H ASN A 55 -16.033 17.875 -3.921 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.732 17.157 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.105 19.101 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -17.851 18.008 -2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -15.217 20.367 -2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -15.672 18.669 -2.056 1.00 0.00 H new ATOM 909 N LYS A 56 -17.847 19.855 -5.844 1.00 0.00 N ATOM 910 CA LYS A 56 -18.283 20.787 -6.880 1.00 0.00 C ATOM 911 C LYS A 56 -18.568 20.059 -8.180 1.00 0.00 C ATOM 912 O LYS A 56 -19.568 20.327 -8.842 1.00 0.00 O ATOM 913 CB LYS A 56 -17.232 21.874 -7.109 1.00 0.00 C ATOM 914 CG LYS A 56 -17.194 22.913 -6.005 1.00 0.00 C ATOM 915 CD LYS A 56 -18.512 23.669 -5.914 1.00 0.00 C ATOM 916 CE LYS A 56 -18.477 24.723 -4.824 1.00 0.00 C ATOM 917 NZ LYS A 56 -19.771 25.442 -4.708 1.00 0.00 N ATOM 0 H LYS A 56 -16.864 19.943 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.204 21.257 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.250 21.408 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.433 22.370 -8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.984 22.427 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.381 23.615 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.727 24.142 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -19.322 22.967 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.237 24.252 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.682 25.438 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.706 26.154 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.989 25.913 -5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -20.526 24.764 -4.481 1.00 0.00 H new ATOM 931 N LEU A 57 -17.694 19.131 -8.537 1.00 0.00 N ATOM 932 CA LEU A 57 -17.875 18.342 -9.748 1.00 0.00 C ATOM 933 C LEU A 57 -19.161 17.523 -9.661 1.00 0.00 C ATOM 934 O LEU A 57 -19.905 17.418 -10.633 1.00 0.00 O ATOM 935 CB LEU A 57 -16.667 17.425 -9.983 1.00 0.00 C ATOM 936 CG LEU A 57 -15.497 18.049 -10.759 1.00 0.00 C ATOM 937 CD1 LEU A 57 -14.977 19.299 -10.068 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.376 17.037 -10.929 1.00 0.00 C ATOM 0 H LEU A 57 -16.853 18.905 -8.007 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.955 19.024 -10.595 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.297 17.087 -9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.005 16.540 -10.522 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.866 18.339 -11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.150 19.715 -10.643 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.777 20.036 -9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.630 19.044 -9.067 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.554 17.494 -11.481 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.022 16.718 -9.949 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.747 16.173 -11.480 1.00 0.00 H new ATOM 950 N TYR A 58 -19.423 16.966 -8.485 1.00 0.00 N ATOM 951 CA TYR A 58 -20.633 16.185 -8.259 1.00 0.00 C ATOM 952 C TYR A 58 -21.880 17.072 -8.330 1.00 0.00 C ATOM 953 O TYR A 58 -22.882 16.701 -8.943 1.00 0.00 O ATOM 954 CB TYR A 58 -20.561 15.485 -6.902 1.00 0.00 C ATOM 955 CG TYR A 58 -21.515 14.324 -6.779 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.420 13.244 -7.644 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.506 14.302 -5.807 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.283 12.174 -7.543 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.373 13.229 -5.698 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.255 12.168 -6.570 1.00 0.00 C ATOM 961 OH TYR A 58 -24.112 11.097 -6.464 1.00 0.00 O ATOM 0 H TYR A 58 -18.812 17.041 -7.671 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.705 15.433 -9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.544 15.129 -6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.777 16.208 -6.116 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.658 13.241 -8.409 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.602 15.135 -5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.196 11.342 -8.226 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.137 13.223 -4.935 1.00 0.00 H new ATOM 0 HH TYR A 58 -24.737 11.250 -5.725 1.00 0.00 H new ATOM 971 N GLU A 59 -21.813 18.240 -7.701 1.00 0.00 N ATOM 972 CA GLU A 59 -22.899 19.216 -7.767 1.00 0.00 C ATOM 973 C GLU A 59 -23.156 19.615 -9.215 1.00 0.00 C ATOM 974 O GLU A 59 -24.293 19.660 -9.673 1.00 0.00 O ATOM 975 CB GLU A 59 -22.538 20.458 -6.938 1.00 0.00 C ATOM 976 CG GLU A 59 -23.538 21.602 -7.043 1.00 0.00 C ATOM 977 CD GLU A 59 -23.050 22.866 -6.359 1.00 0.00 C ATOM 978 OE1 GLU A 59 -22.207 23.579 -6.944 1.00 0.00 O ATOM 979 OE2 GLU A 59 -23.500 23.152 -5.230 1.00 0.00 O ATOM 0 H GLU A 59 -21.016 18.536 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.804 18.766 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.448 20.167 -5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.559 20.818 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.733 21.814 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.485 21.295 -6.599 1.00 0.00 H new ATOM 986 N TYR A 60 -22.079 19.878 -9.930 1.00 0.00 N ATOM 987 CA TYR A 60 -22.140 20.313 -11.315 1.00 0.00 C ATOM 988 C TYR A 60 -22.855 19.306 -12.216 1.00 0.00 C ATOM 989 O TYR A 60 -23.616 19.692 -13.102 1.00 0.00 O ATOM 990 CB TYR A 60 -20.715 20.557 -11.813 1.00 0.00 C ATOM 991 CG TYR A 60 -20.582 20.741 -13.305 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.860 21.962 -13.900 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.150 19.696 -14.114 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.714 22.139 -15.256 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.006 19.866 -15.475 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.289 21.092 -16.042 1.00 0.00 C ATOM 997 OH TYR A 60 -20.138 21.274 -17.396 1.00 0.00 O ATOM 0 H TYR A 60 -21.130 19.796 -9.565 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.723 21.233 -11.359 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.320 21.443 -11.316 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.091 19.716 -11.509 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.196 22.787 -13.289 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -19.924 18.738 -13.670 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -20.932 23.097 -15.703 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.674 19.045 -16.093 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.670 22.045 -17.684 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.607 18.024 -12.001 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.189 16.998 -12.855 1.00 0.00 C ATOM 1009 C ILE A 61 -24.666 16.782 -12.544 1.00 0.00 C ATOM 1010 O ILE A 61 -25.443 16.420 -13.428 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.428 15.659 -12.770 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.507 15.054 -11.368 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -20.982 15.864 -13.174 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.736 13.760 -11.226 1.00 0.00 C ATOM 0 H ILE A 61 -22.013 17.670 -11.251 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.098 17.367 -13.877 1.00 0.00 H new ATOM 0 HB ILE A 61 -22.901 14.957 -13.457 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -22.125 15.777 -10.647 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.552 14.875 -11.116 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.449 14.915 -13.112 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -20.940 16.238 -14.197 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.516 16.586 -12.504 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.836 13.387 -10.207 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.133 13.022 -11.923 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.683 13.938 -11.446 1.00 0.00 H new ATOM 1026 N GLU A 62 -25.056 17.000 -11.295 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.442 16.797 -10.898 1.00 0.00 C ATOM 1028 C GLU A 62 -27.293 18.029 -11.219 1.00 0.00 C ATOM 1029 O GLU A 62 -28.512 17.931 -11.373 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.536 16.470 -9.402 1.00 0.00 C ATOM 1031 CG GLU A 62 -26.257 17.650 -8.488 1.00 0.00 C ATOM 1032 CD GLU A 62 -26.469 17.315 -7.030 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.520 16.834 -6.379 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -27.591 17.525 -6.524 1.00 0.00 O ATOM 0 H GLU A 62 -24.439 17.314 -10.546 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.829 15.952 -11.468 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -27.534 16.087 -9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.831 15.671 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.230 17.985 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.906 18.481 -8.765 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.648 19.183 -11.337 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.367 20.438 -11.485 1.00 0.00 C ATOM 1043 C GLN A 63 -27.313 20.972 -12.914 1.00 0.00 C ATOM 1044 O GLN A 63 -26.323 20.789 -13.622 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.794 21.503 -10.542 1.00 0.00 C ATOM 1046 CG GLN A 63 -25.517 22.160 -11.050 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.141 23.395 -10.260 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -26.004 24.091 -9.727 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -23.852 23.675 -10.185 1.00 0.00 N ATOM 0 H GLN A 63 -25.632 19.274 -11.333 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.407 20.230 -11.232 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.548 22.274 -10.381 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.594 21.046 -9.573 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -24.700 21.441 -11.003 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.644 22.429 -12.099 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -23.171 23.069 -10.643 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.538 24.497 -9.669 1.00 0.00 H new ATOM 1058 N SER A 64 -28.410 21.600 -13.325 1.00 0.00 N ATOM 1059 CA SER A 64 -28.423 22.521 -14.462 1.00 0.00 C ATOM 1060 C SER A 64 -27.840 21.928 -15.754 1.00 0.00 C ATOM 1061 O SER A 64 -27.266 22.650 -16.564 1.00 0.00 O ATOM 1062 CB SER A 64 -27.639 23.771 -14.053 1.00 0.00 C ATOM 1063 OG SER A 64 -27.702 24.784 -15.036 1.00 0.00 O ATOM 0 H SER A 64 -29.320 21.486 -12.879 1.00 0.00 H new ATOM 0 HA SER A 64 -29.462 22.751 -14.697 1.00 0.00 H new ATOM 0 HB2 SER A 64 -28.034 24.154 -13.112 1.00 0.00 H new ATOM 0 HB3 SER A 64 -26.597 23.503 -13.876 1.00 0.00 H new ATOM 0 HG SER A 64 -27.746 24.375 -15.925 1.00 0.00 H new ATOM 1069 N LYS A 65 -28.041 20.639 -15.984 1.00 0.00 N ATOM 1070 CA LYS A 65 -27.503 20.002 -17.187 1.00 0.00 C ATOM 1071 C LYS A 65 -28.112 20.602 -18.454 1.00 0.00 C ATOM 1072 O LYS A 65 -27.494 20.586 -19.519 1.00 0.00 O ATOM 1073 CB LYS A 65 -27.725 18.489 -17.160 1.00 0.00 C ATOM 1074 CG LYS A 65 -26.652 17.734 -16.392 1.00 0.00 C ATOM 1075 CD LYS A 65 -25.270 17.990 -16.981 1.00 0.00 C ATOM 1076 CE LYS A 65 -24.220 17.075 -16.374 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.861 17.340 -16.920 1.00 0.00 N ATOM 0 H LYS A 65 -28.564 20.018 -15.367 1.00 0.00 H new ATOM 0 HA LYS A 65 -26.430 20.192 -17.199 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -28.697 18.280 -16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -27.759 18.116 -18.184 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -26.667 18.040 -15.346 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -26.868 16.666 -16.415 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -25.302 17.841 -18.060 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -24.989 19.029 -16.811 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -24.207 17.207 -15.292 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.491 16.037 -16.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.436 16.447 -17.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.931 17.999 -17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.264 17.759 -16.178 1.00 0.00 H new ATOM 1091 N ASN A 66 -29.311 21.138 -18.329 1.00 0.00 N ATOM 1092 CA ASN A 66 -30.001 21.747 -19.455 1.00 0.00 C ATOM 1093 C ASN A 66 -30.539 23.111 -19.068 1.00 0.00 C ATOM 1094 O ASN A 66 -30.169 23.669 -18.038 1.00 0.00 O ATOM 1095 CB ASN A 66 -31.162 20.869 -19.939 1.00 0.00 C ATOM 1096 CG ASN A 66 -32.238 20.666 -18.877 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -31.953 20.622 -17.678 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -33.485 20.555 -19.304 1.00 0.00 N ATOM 0 H ASN A 66 -29.832 21.165 -17.453 1.00 0.00 H new ATOM 0 HA ASN A 66 -29.279 21.851 -20.265 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -31.611 21.324 -20.821 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -30.773 19.898 -20.245 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -34.244 20.429 -18.634 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -33.688 20.596 -20.303 1.00 0.00 H new ATOM 1105 N CYS A 67 -31.408 23.650 -19.906 1.00 0.00 N ATOM 1106 CA CYS A 67 -32.057 24.910 -19.613 1.00 0.00 C ATOM 1107 C CYS A 67 -33.341 25.015 -20.421 1.00 0.00 C ATOM 1108 O CYS A 67 -33.489 24.341 -21.441 1.00 0.00 O ATOM 1109 CB CYS A 67 -31.139 26.098 -19.909 1.00 0.00 C ATOM 1110 SG CYS A 67 -31.160 26.660 -21.639 1.00 0.00 S ATOM 0 H CYS A 67 -31.679 23.231 -20.796 1.00 0.00 H new ATOM 0 HA CYS A 67 -32.291 24.939 -18.549 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.426 26.931 -19.267 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -30.118 25.827 -19.641 1.00 0.00 H new ATOM 0 HG CYS A 67 -31.231 25.630 -22.429 1.00 0.00 H new ATOM 1115 N SER A 68 -34.221 25.897 -20.000 1.00 0.00 N ATOM 1116 CA SER A 68 -35.579 25.987 -20.548 1.00 0.00 C ATOM 1117 C SER A 68 -35.585 26.349 -22.030 1.00 0.00 C ATOM 1118 O SER A 68 -36.511 26.016 -22.762 1.00 0.00 O ATOM 1119 CB SER A 68 -36.357 27.029 -19.760 1.00 0.00 C ATOM 1120 OG SER A 68 -35.544 28.163 -19.526 1.00 0.00 O ATOM 0 H SER A 68 -34.026 26.579 -19.267 1.00 0.00 H new ATOM 0 HA SER A 68 -36.046 25.006 -20.457 1.00 0.00 H new ATOM 0 HB2 SER A 68 -37.252 27.320 -20.310 1.00 0.00 H new ATOM 0 HB3 SER A 68 -36.689 26.607 -18.811 1.00 0.00 H new ATOM 0 HG SER A 68 -35.957 28.725 -18.838 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.544 27.036 -22.457 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.411 27.464 -23.836 1.00 0.00 C ATOM 1128 C TYR A 69 -34.178 26.283 -24.775 1.00 0.00 C ATOM 1129 O TYR A 69 -34.325 26.399 -25.985 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.245 28.434 -23.924 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.243 29.287 -25.164 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -34.379 29.408 -25.947 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -32.101 29.961 -25.556 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -34.381 30.181 -27.088 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -32.089 30.734 -26.695 1.00 0.00 C ATOM 1136 CZ TYR A 69 -33.230 30.840 -27.463 1.00 0.00 C ATOM 1137 OH TYR A 69 -33.217 31.603 -28.611 1.00 0.00 O ATOM 0 H TYR A 69 -33.766 27.313 -21.858 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.338 27.946 -24.147 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.261 29.084 -23.049 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.314 27.869 -23.884 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -35.280 28.887 -25.658 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -31.205 29.880 -24.959 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -35.278 30.270 -27.684 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -31.189 31.256 -26.986 1.00 0.00 H new ATOM 0 HH TYR A 69 -32.426 32.181 -28.611 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.797 25.152 -24.216 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.513 23.981 -25.037 1.00 0.00 C ATOM 1149 C CYS A 70 -34.336 22.771 -24.603 1.00 0.00 C ATOM 1150 O CYS A 70 -34.142 21.670 -25.110 1.00 0.00 O ATOM 1151 CB CYS A 70 -32.021 23.650 -24.996 1.00 0.00 C ATOM 1152 SG CYS A 70 -31.370 23.336 -23.327 1.00 0.00 S ATOM 0 H CYS A 70 -33.677 25.014 -23.213 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.797 24.223 -26.061 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.838 22.772 -25.616 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.465 24.475 -25.441 1.00 0.00 H new ATOM 0 HG CYS A 70 -32.221 23.764 -22.442 1.00 0.00 H new ATOM 1157 N SER A 71 -35.243 22.971 -23.662 1.00 0.00 N ATOM 1158 CA SER A 71 -36.094 21.894 -23.190 1.00 0.00 C ATOM 1159 C SER A 71 -37.528 22.384 -23.033 1.00 0.00 C ATOM 1160 O SER A 71 -37.758 23.573 -22.817 1.00 0.00 O ATOM 1161 CB SER A 71 -35.572 21.383 -21.848 1.00 0.00 C ATOM 1162 OG SER A 71 -34.171 21.152 -21.891 1.00 0.00 O ATOM 0 H SER A 71 -35.409 23.870 -23.210 1.00 0.00 H new ATOM 0 HA SER A 71 -36.079 21.084 -23.919 1.00 0.00 H new ATOM 0 HB2 SER A 71 -35.799 22.109 -21.067 1.00 0.00 H new ATOM 0 HB3 SER A 71 -36.087 20.459 -21.583 1.00 0.00 H new ATOM 0 HG SER A 71 -33.696 21.993 -21.727 1.00 0.00 H new ATOM 1168 N GLU A 72 -38.490 21.480 -23.159 1.00 0.00 N ATOM 1169 CA GLU A 72 -39.881 21.824 -22.901 1.00 0.00 C ATOM 1170 C GLU A 72 -40.147 21.766 -21.399 1.00 0.00 C ATOM 1171 O GLU A 72 -41.107 22.352 -20.897 1.00 0.00 O ATOM 1172 CB GLU A 72 -40.823 20.886 -23.663 1.00 0.00 C ATOM 1173 CG GLU A 72 -42.294 21.252 -23.528 1.00 0.00 C ATOM 1174 CD GLU A 72 -43.194 20.404 -24.404 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -43.335 19.195 -24.126 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -43.762 20.942 -25.377 1.00 0.00 O ATOM 0 H GLU A 72 -38.335 20.511 -23.436 1.00 0.00 H new ATOM 0 HA GLU A 72 -40.071 22.837 -23.255 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -40.552 20.893 -24.719 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -40.677 19.868 -23.303 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -42.597 21.140 -22.487 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -42.427 22.302 -23.787 1.00 0.00 H new ATOM 1183 N ASP A 73 -39.277 21.050 -20.692 1.00 0.00 N ATOM 1184 CA ASP A 73 -39.309 21.003 -19.236 1.00 0.00 C ATOM 1185 C ASP A 73 -39.084 22.395 -18.665 1.00 0.00 C ATOM 1186 O ASP A 73 -37.969 22.908 -18.693 1.00 0.00 O ATOM 1187 CB ASP A 73 -38.223 20.062 -18.702 1.00 0.00 C ATOM 1188 CG ASP A 73 -38.446 18.615 -19.085 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -38.501 18.312 -20.296 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -38.542 17.764 -18.175 1.00 0.00 O ATOM 0 H ASP A 73 -38.535 20.490 -21.111 1.00 0.00 H new ATOM 0 HA ASP A 73 -40.287 20.632 -18.929 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -37.253 20.386 -19.080 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -38.185 20.142 -17.616 1.00 0.00 H new ATOM 1195 N GLU A 74 -40.147 23.011 -18.170 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.052 24.345 -17.586 1.00 0.00 C ATOM 1197 C GLU A 74 -39.520 24.274 -16.159 1.00 0.00 C ATOM 1198 O GLU A 74 -39.140 25.286 -15.568 1.00 0.00 O ATOM 1199 CB GLU A 74 -41.419 25.029 -17.607 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.509 24.224 -16.922 1.00 0.00 C ATOM 1201 CD GLU A 74 -43.820 24.973 -16.849 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -44.613 24.888 -17.807 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -44.061 25.656 -15.833 1.00 0.00 O ATOM 0 H GLU A 74 -41.085 22.611 -18.160 1.00 0.00 H new ATOM 0 HA GLU A 74 -39.354 24.932 -18.183 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -41.337 26.002 -17.122 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.709 25.212 -18.642 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -42.658 23.288 -17.460 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -42.186 23.964 -15.914 1.00 0.00 H new ATOM 1210 N ASN A 75 -39.506 23.068 -15.613 1.00 0.00 N ATOM 1211 CA ASN A 75 -38.992 22.832 -14.272 1.00 0.00 C ATOM 1212 C ASN A 75 -37.487 22.587 -14.313 1.00 0.00 C ATOM 1213 O ASN A 75 -37.015 21.458 -14.182 1.00 0.00 O ATOM 1214 CB ASN A 75 -39.721 21.653 -13.616 1.00 0.00 C ATOM 1215 CG ASN A 75 -39.901 20.470 -14.555 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -40.894 20.381 -15.274 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -38.940 19.562 -14.567 1.00 0.00 N ATOM 0 H ASN A 75 -39.848 22.230 -16.083 1.00 0.00 H new ATOM 0 HA ASN A 75 -39.175 23.721 -13.669 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -39.162 21.331 -12.737 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -40.699 21.986 -13.268 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -39.009 18.755 -15.187 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -38.130 19.669 -13.956 1.00 0.00 H new ATOM 1224 N CYS A 76 -36.740 23.659 -14.516 1.00 0.00 N ATOM 1225 CA CYS A 76 -35.299 23.567 -14.663 1.00 0.00 C ATOM 1226 C CYS A 76 -34.592 23.603 -13.313 1.00 0.00 C ATOM 1227 O CYS A 76 -34.958 24.376 -12.428 1.00 0.00 O ATOM 1228 CB CYS A 76 -34.784 24.719 -15.527 1.00 0.00 C ATOM 1229 SG CYS A 76 -35.641 24.906 -17.106 1.00 0.00 S ATOM 0 H CYS A 76 -37.111 24.607 -14.583 1.00 0.00 H new ATOM 0 HA CYS A 76 -35.081 22.613 -15.142 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -34.876 25.648 -14.965 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -33.722 24.567 -15.719 1.00 0.00 H new ATOM 0 HG CYS A 76 -36.465 23.914 -17.273 1.00 0.00 H new ATOM 1235 N ASN A 77 -33.569 22.771 -13.173 1.00 0.00 N ATOM 1236 CA ASN A 77 -32.682 22.812 -12.014 1.00 0.00 C ATOM 1237 C ASN A 77 -31.503 23.719 -12.341 1.00 0.00 C ATOM 1238 O ASN A 77 -30.364 23.466 -11.944 1.00 0.00 O ATOM 1239 CB ASN A 77 -32.185 21.401 -11.667 1.00 0.00 C ATOM 1240 CG ASN A 77 -33.292 20.484 -11.179 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -34.264 20.927 -10.568 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -33.149 19.193 -11.441 1.00 0.00 N ATOM 0 H ASN A 77 -33.330 22.051 -13.855 1.00 0.00 H new ATOM 0 HA ASN A 77 -33.223 23.200 -11.151 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -31.717 20.960 -12.547 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -31.415 21.472 -10.899 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -33.859 18.528 -11.133 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -32.329 18.864 -11.950 1.00 0.00 H new ATOM 1249 N ASN A 78 -31.805 24.789 -13.061 1.00 0.00 N ATOM 1250 CA ASN A 78 -30.798 25.685 -13.608 1.00 0.00 C ATOM 1251 C ASN A 78 -30.922 27.066 -12.973 1.00 0.00 C ATOM 1252 O ASN A 78 -32.032 27.565 -12.772 1.00 0.00 O ATOM 1253 CB ASN A 78 -30.974 25.759 -15.135 1.00 0.00 C ATOM 1254 CG ASN A 78 -29.920 26.595 -15.850 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -29.471 27.624 -15.363 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -29.498 26.130 -17.015 1.00 0.00 N ATOM 0 H ASN A 78 -32.762 25.062 -13.283 1.00 0.00 H new ATOM 0 HA ASN A 78 -29.801 25.306 -13.384 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -30.954 24.747 -15.540 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -31.959 26.172 -15.356 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -28.778 26.633 -17.534 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -29.893 25.269 -17.394 1.00 0.00 H new ATOM 1263 N LEU A 79 -29.784 27.666 -12.648 1.00 0.00 N ATOM 1264 CA LEU A 79 -29.755 28.982 -12.028 1.00 0.00 C ATOM 1265 C LEU A 79 -29.941 30.070 -13.080 1.00 0.00 C ATOM 1266 O LEU A 79 -30.969 30.747 -13.118 1.00 0.00 O ATOM 1267 CB LEU A 79 -28.435 29.205 -11.278 1.00 0.00 C ATOM 1268 CG LEU A 79 -28.255 28.404 -9.983 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -28.115 26.913 -10.255 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -27.051 28.916 -9.210 1.00 0.00 C ATOM 0 H LEU A 79 -28.863 27.257 -12.806 1.00 0.00 H new ATOM 0 HA LEU A 79 -30.575 29.034 -11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -27.612 28.961 -11.950 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -28.349 30.265 -11.041 1.00 0.00 H new ATOM 0 HG LEU A 79 -29.153 28.545 -9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -27.989 26.381 -9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -29.010 26.550 -10.760 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -27.245 26.739 -10.888 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -26.935 28.338 -8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -26.155 28.811 -9.821 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -27.199 29.967 -8.961 1.00 0.00 H new ATOM 1282 N LEU A 80 -28.942 30.225 -13.938 1.00 0.00 N ATOM 1283 CA LEU A 80 -28.979 31.235 -14.989 1.00 0.00 C ATOM 1284 C LEU A 80 -29.702 30.709 -16.222 1.00 0.00 C ATOM 1285 O LEU A 80 -29.131 29.961 -17.021 1.00 0.00 O ATOM 1286 CB LEU A 80 -27.566 31.690 -15.382 1.00 0.00 C ATOM 1287 CG LEU A 80 -26.830 32.565 -14.360 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -26.406 31.760 -13.139 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -25.621 33.220 -15.007 1.00 0.00 C ATOM 0 H LEU A 80 -28.092 29.662 -13.927 1.00 0.00 H new ATOM 0 HA LEU A 80 -29.523 32.092 -14.591 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -26.961 30.804 -15.574 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -27.631 32.240 -16.321 1.00 0.00 H new ATOM 0 HG LEU A 80 -27.519 33.340 -14.023 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -25.887 32.412 -12.436 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.288 31.336 -12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -25.739 30.955 -13.448 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -25.106 33.839 -14.272 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -24.942 32.450 -15.373 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -25.947 33.842 -15.841 1.00 0.00 H new ATOM 1301 N GLU A 81 -30.958 31.103 -16.379 1.00 0.00 N ATOM 1302 CA GLU A 81 -31.757 30.652 -17.506 1.00 0.00 C ATOM 1303 C GLU A 81 -31.163 31.148 -18.821 1.00 0.00 C ATOM 1304 O GLU A 81 -30.694 32.283 -18.920 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.205 31.120 -17.361 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.093 30.675 -18.510 1.00 0.00 C ATOM 1307 CD GLU A 81 -35.547 31.039 -18.315 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -35.916 32.194 -18.602 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -36.332 30.164 -17.888 1.00 0.00 O ATOM 0 H GLU A 81 -31.444 31.733 -15.740 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.748 29.562 -17.516 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -33.612 30.737 -16.425 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.224 32.208 -17.295 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -33.733 31.126 -19.435 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -34.008 29.595 -18.629 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.176 30.278 -19.822 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.582 30.596 -21.106 1.00 0.00 C ATOM 1318 C GLY A 82 -29.116 30.218 -21.147 1.00 0.00 C ATOM 1319 O GLY A 82 -28.490 30.231 -22.207 1.00 0.00 O ATOM 0 H GLY A 82 -31.592 29.348 -19.766 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.117 30.069 -21.896 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -30.690 31.662 -21.304 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.578 29.843 -19.994 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.176 29.470 -19.876 1.00 0.00 C ATOM 1325 C TYR A 83 -27.044 28.046 -19.334 1.00 0.00 C ATOM 1326 O TYR A 83 -28.031 27.444 -18.908 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.443 30.452 -18.947 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.210 31.832 -19.535 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -27.270 32.680 -19.832 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -24.922 32.286 -19.787 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -27.053 33.936 -20.365 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -24.695 33.542 -20.317 1.00 0.00 C ATOM 1333 CZ TYR A 83 -25.764 34.361 -20.608 1.00 0.00 C ATOM 1334 OH TYR A 83 -25.545 35.613 -21.143 1.00 0.00 O ATOM 0 H TYR A 83 -29.099 29.789 -19.119 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.724 29.511 -20.867 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.017 30.557 -18.027 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.480 30.021 -18.674 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.281 32.351 -19.643 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -24.082 31.645 -19.565 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -27.889 34.582 -20.590 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -23.686 33.879 -20.502 1.00 0.00 H new ATOM 0 HH TYR A 83 -24.582 35.759 -21.251 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.833 27.506 -19.395 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.510 26.211 -18.791 1.00 0.00 C ATOM 1346 C HIS A 84 -24.229 26.349 -17.984 1.00 0.00 C ATOM 1347 O HIS A 84 -23.396 27.207 -18.284 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.304 25.111 -19.837 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.530 24.668 -20.578 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.684 23.390 -21.066 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.581 25.379 -21.060 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.777 23.375 -21.834 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -28.349 24.562 -21.860 1.00 0.00 N ATOM 0 H HIS A 84 -25.044 27.951 -19.864 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.353 25.925 -18.162 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.572 25.462 -20.564 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.870 24.243 -19.341 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -26.073 22.596 -20.875 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.783 26.419 -20.850 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -28.143 22.507 -22.362 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.047 25.511 -16.965 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.864 25.551 -16.117 1.00 0.00 C ATOM 1363 C PRO A 85 -21.663 24.880 -16.776 1.00 0.00 C ATOM 1364 O PRO A 85 -21.813 23.968 -17.594 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.304 24.776 -14.879 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.293 23.789 -15.388 1.00 0.00 C ATOM 1367 CD PRO A 85 -24.975 24.445 -16.562 1.00 0.00 C ATOM 0 HA PRO A 85 -22.537 26.569 -15.905 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.459 24.280 -14.400 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.750 25.436 -14.135 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.801 22.865 -15.690 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.015 23.527 -14.615 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.144 23.736 -17.372 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -25.949 24.848 -16.283 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.480 25.345 -16.422 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.245 24.762 -16.900 1.00 0.00 C ATOM 1377 C LYS A 86 -18.170 24.897 -15.834 1.00 0.00 C ATOM 1378 O LYS A 86 -18.059 25.935 -15.178 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.806 25.442 -18.196 1.00 0.00 C ATOM 1380 CG LYS A 86 -17.467 24.956 -18.724 1.00 0.00 C ATOM 1381 CD LYS A 86 -17.134 25.605 -20.059 1.00 0.00 C ATOM 1382 CE LYS A 86 -15.667 25.434 -20.418 1.00 0.00 C ATOM 1383 NZ LYS A 86 -15.299 24.012 -20.671 1.00 0.00 N ATOM 0 H LYS A 86 -20.350 26.138 -15.794 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.404 23.704 -17.107 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.568 25.276 -18.958 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.751 26.518 -18.030 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.684 25.183 -18.001 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.490 23.872 -18.839 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.753 25.166 -20.841 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.377 26.667 -20.018 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.443 26.026 -21.305 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.051 25.826 -19.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.328 23.965 -21.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.356 23.475 -19.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.955 23.602 -21.366 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.409 23.834 -15.649 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.323 23.834 -14.687 1.00 0.00 C ATOM 1399 C LEU A 87 -15.210 24.762 -15.147 1.00 0.00 C ATOM 1400 O LEU A 87 -14.793 24.721 -16.305 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.780 22.422 -14.501 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.792 21.402 -13.988 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.170 20.019 -13.930 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.316 21.815 -12.619 1.00 0.00 C ATOM 0 H LEU A 87 -17.524 22.956 -16.155 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.708 24.192 -13.732 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.387 22.072 -15.455 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.942 22.460 -13.805 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.633 21.369 -14.681 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -16.906 19.304 -13.562 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.845 19.724 -14.928 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.311 20.034 -13.259 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -18.037 21.077 -12.267 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.486 21.876 -11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.801 22.788 -12.693 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.750 25.610 -14.244 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.659 26.527 -14.532 1.00 0.00 C ATOM 1418 C VAL A 88 -12.675 26.539 -13.370 1.00 0.00 C ATOM 1419 O VAL A 88 -13.059 26.313 -12.226 1.00 0.00 O ATOM 1420 CB VAL A 88 -14.166 27.965 -14.781 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.965 28.056 -16.073 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -15.008 28.445 -13.614 1.00 0.00 C ATOM 0 H VAL A 88 -15.119 25.683 -13.296 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.168 26.177 -15.440 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.292 28.610 -14.876 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.307 29.081 -16.218 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.335 27.762 -16.912 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.827 27.391 -16.016 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -15.355 29.460 -13.809 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.867 27.785 -13.489 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -14.408 28.436 -12.704 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.412 26.784 -13.660 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.403 26.832 -12.619 1.00 0.00 C ATOM 1434 C VAL A 89 -10.006 28.275 -12.316 1.00 0.00 C ATOM 1435 O VAL A 89 -9.500 28.996 -13.178 1.00 0.00 O ATOM 1436 CB VAL A 89 -9.158 25.987 -12.993 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.598 26.389 -14.347 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -8.089 26.089 -11.911 1.00 0.00 C ATOM 0 H VAL A 89 -11.061 26.952 -14.603 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.838 26.398 -11.719 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.475 24.946 -13.064 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.726 25.776 -14.577 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.358 26.240 -15.114 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.307 27.439 -14.323 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.225 25.488 -12.195 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.785 27.130 -11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.491 25.722 -10.967 1.00 0.00 H new ATOM 1448 N ASN A 90 -10.274 28.703 -11.092 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.887 30.031 -10.648 1.00 0.00 C ATOM 1450 C ASN A 90 -8.821 29.914 -9.574 1.00 0.00 C ATOM 1451 O ASN A 90 -9.122 29.648 -8.404 1.00 0.00 O ATOM 1452 CB ASN A 90 -11.088 30.822 -10.120 1.00 0.00 C ATOM 1453 CG ASN A 90 -12.036 31.267 -11.225 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.811 32.283 -11.888 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -13.125 30.532 -11.406 1.00 0.00 N ATOM 0 H ASN A 90 -10.759 28.147 -10.388 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.488 30.575 -11.504 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.635 30.208 -9.404 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.730 31.699 -9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.810 30.801 -12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.277 29.698 -10.839 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.574 30.088 -9.980 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.470 29.913 -9.066 1.00 0.00 C ATOM 1464 C GLY A 91 -6.228 28.450 -8.765 1.00 0.00 C ATOM 1465 O GLY A 91 -5.937 27.666 -9.667 1.00 0.00 O ATOM 0 H GLY A 91 -7.308 30.348 -10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.569 30.352 -9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.675 30.448 -8.139 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.365 28.077 -7.504 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.219 26.688 -7.099 1.00 0.00 C ATOM 1471 C ARG A 92 -7.562 26.111 -6.660 1.00 0.00 C ATOM 1472 O ARG A 92 -7.623 25.043 -6.053 1.00 0.00 O ATOM 1473 CB ARG A 92 -5.183 26.563 -5.977 1.00 0.00 C ATOM 1474 CG ARG A 92 -3.754 26.790 -6.450 1.00 0.00 C ATOM 1475 CD ARG A 92 -3.365 25.784 -7.523 1.00 0.00 C ATOM 1476 NE ARG A 92 -2.030 26.038 -8.075 1.00 0.00 N ATOM 1477 CZ ARG A 92 -1.569 25.465 -9.189 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -2.296 24.542 -9.806 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -0.363 25.780 -9.658 1.00 0.00 N ATOM 0 H ARG A 92 -6.578 28.719 -6.740 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.867 26.115 -7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.418 27.283 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.258 25.571 -5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.654 27.802 -6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.071 26.707 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.395 24.779 -7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.099 25.815 -8.328 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.420 26.689 -7.580 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.204 24.272 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.946 24.102 -10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.214 26.462 -9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -0.016 25.339 -10.510 1.00 0.00 H new ATOM 1493 N SER A 93 -8.637 26.817 -6.983 1.00 0.00 N ATOM 1494 CA SER A 93 -9.974 26.337 -6.676 1.00 0.00 C ATOM 1495 C SER A 93 -10.812 26.228 -7.946 1.00 0.00 C ATOM 1496 O SER A 93 -10.700 27.062 -8.847 1.00 0.00 O ATOM 1497 CB SER A 93 -10.649 27.259 -5.657 1.00 0.00 C ATOM 1498 OG SER A 93 -10.554 28.626 -6.038 1.00 0.00 O ATOM 0 H SER A 93 -8.608 27.720 -7.456 1.00 0.00 H new ATOM 0 HA SER A 93 -9.893 25.342 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.698 26.982 -5.555 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.187 27.121 -4.680 1.00 0.00 H new ATOM 0 HG SER A 93 -10.165 28.689 -6.935 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.633 25.190 -8.021 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.480 24.972 -9.181 1.00 0.00 C ATOM 1506 C ILE A 94 -13.885 25.506 -8.919 1.00 0.00 C ATOM 1507 O ILE A 94 -14.490 25.218 -7.885 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.540 23.472 -9.557 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -11.125 22.962 -9.860 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.461 23.251 -10.751 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -11.035 21.465 -10.071 1.00 0.00 C ATOM 0 H ILE A 94 -11.729 24.485 -7.290 1.00 0.00 H new ATOM 0 HA ILE A 94 -12.045 25.514 -10.021 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.947 22.911 -8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.753 23.466 -10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.467 23.242 -9.038 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.488 22.190 -10.998 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.466 23.592 -10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -13.088 23.813 -11.607 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.002 21.188 -10.280 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.374 20.950 -9.172 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.665 21.178 -10.913 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.390 26.296 -9.853 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.700 26.908 -9.719 1.00 0.00 C ATOM 1525 C ASP A 95 -16.621 26.433 -10.824 1.00 0.00 C ATOM 1526 O ASP A 95 -16.202 25.712 -11.737 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.608 28.434 -9.768 1.00 0.00 C ATOM 1528 CG ASP A 95 -14.864 29.016 -8.590 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -15.417 29.013 -7.472 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -13.724 29.486 -8.782 1.00 0.00 O ATOM 0 H ASP A 95 -13.906 26.529 -10.720 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.102 26.610 -8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -15.110 28.733 -10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -16.614 28.853 -9.799 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.873 26.850 -10.749 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.866 26.479 -11.737 1.00 0.00 C ATOM 1537 C ILE A 96 -19.561 27.725 -12.261 1.00 0.00 C ATOM 1538 O ILE A 96 -20.461 28.268 -11.618 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.907 25.513 -11.138 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.197 24.310 -10.511 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.892 25.058 -12.205 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.102 23.432 -9.678 1.00 0.00 C ATOM 0 H ILE A 96 -18.227 27.452 -10.005 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.360 25.971 -12.558 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.468 26.035 -10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.753 23.709 -11.304 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.379 24.668 -9.886 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.619 24.377 -11.762 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.410 25.925 -12.615 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.354 24.546 -13.003 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.527 22.602 -9.268 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.527 24.017 -8.862 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.906 23.043 -10.302 1.00 0.00 H new ATOM 1554 N GLU A 97 -19.110 28.198 -13.408 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.673 29.392 -14.011 1.00 0.00 C ATOM 1556 C GLU A 97 -20.577 29.003 -15.175 1.00 0.00 C ATOM 1557 O GLU A 97 -20.799 27.819 -15.411 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.548 30.341 -14.434 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.733 30.831 -13.242 1.00 0.00 C ATOM 1560 CD GLU A 97 -16.550 31.697 -13.619 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -16.676 32.529 -14.541 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -15.491 31.576 -12.963 1.00 0.00 O ATOM 0 H GLU A 97 -18.353 27.772 -13.942 1.00 0.00 H new ATOM 0 HA GLU A 97 -20.288 29.924 -13.286 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.890 29.832 -15.138 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.974 31.197 -14.958 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -18.386 31.395 -12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.374 29.968 -12.681 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.108 29.979 -15.892 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.128 29.701 -16.900 1.00 0.00 C ATOM 1571 C TYR A 98 -21.744 30.213 -18.284 1.00 0.00 C ATOM 1572 O TYR A 98 -21.209 31.313 -18.432 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.464 30.320 -16.480 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.341 29.404 -15.650 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -24.014 29.077 -14.338 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.504 28.874 -16.185 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.828 28.241 -13.588 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.319 28.042 -15.447 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.979 27.728 -14.151 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.799 26.898 -13.417 1.00 0.00 O ATOM 0 H TYR A 98 -20.856 30.963 -15.800 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.218 28.617 -16.966 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.267 31.229 -15.912 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.012 30.616 -17.375 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.114 29.480 -13.897 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.778 29.118 -17.201 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.563 27.993 -12.571 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -27.220 27.638 -15.884 1.00 0.00 H new ATOM 0 HH TYR A 98 -27.191 26.220 -14.007 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.027 29.396 -19.290 1.00 0.00 N ATOM 1591 CA TYR A 99 -21.907 29.813 -20.681 1.00 0.00 C ATOM 1592 C TYR A 99 -23.297 29.809 -21.313 1.00 0.00 C ATOM 1593 O TYR A 99 -24.194 29.123 -20.825 1.00 0.00 O ATOM 1594 CB TYR A 99 -20.942 28.906 -21.471 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.359 27.447 -21.578 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -22.416 27.062 -22.397 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -20.689 26.457 -20.867 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -22.799 25.739 -22.502 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -21.066 25.130 -20.970 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.120 24.777 -21.788 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.490 23.456 -21.896 1.00 0.00 O ATOM 0 H TYR A 99 -22.343 28.434 -19.167 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.487 30.818 -20.714 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -20.833 29.310 -22.478 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -19.960 28.952 -21.001 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -22.948 27.813 -22.962 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -19.863 26.728 -20.226 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.625 25.461 -23.140 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -20.537 24.372 -20.412 1.00 0.00 H new ATOM 0 HH TYR A 99 -21.910 22.906 -21.329 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.485 30.565 -22.384 1.00 0.00 N ATOM 1612 CA GLU A 100 -24.805 30.690 -22.997 1.00 0.00 C ATOM 1613 C GLU A 100 -25.194 29.423 -23.760 1.00 0.00 C ATOM 1614 O GLU A 100 -24.349 28.774 -24.377 1.00 0.00 O ATOM 1615 CB GLU A 100 -24.855 31.909 -23.923 1.00 0.00 C ATOM 1616 CG GLU A 100 -23.717 31.974 -24.932 1.00 0.00 C ATOM 1617 CD GLU A 100 -23.803 33.206 -25.805 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -23.717 34.329 -25.263 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -23.980 33.067 -27.030 1.00 0.00 O ATOM 0 H GLU A 100 -22.749 31.099 -22.846 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.529 30.829 -22.194 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -25.803 31.904 -24.461 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -24.839 32.814 -23.315 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -22.764 31.970 -24.404 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -23.738 31.083 -25.559 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.478 29.072 -23.691 1.00 0.00 N ATOM 1627 CA CYS A 101 -27.009 27.918 -24.414 1.00 0.00 C ATOM 1628 C CYS A 101 -26.805 28.116 -25.912 1.00 0.00 C ATOM 1629 O CYS A 101 -27.281 29.099 -26.477 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.508 27.758 -24.110 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.296 26.243 -24.772 1.00 0.00 S ATOM 0 H CYS A 101 -27.173 29.574 -23.138 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.482 27.019 -24.094 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.644 27.773 -23.029 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -29.035 28.624 -24.510 1.00 0.00 H new ATOM 0 HG CYS A 101 -29.141 25.268 -23.926 1.00 0.00 H new ATOM 1636 N PRO A 102 -26.110 27.179 -26.571 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.836 27.252 -28.013 1.00 0.00 C ATOM 1638 C PRO A 102 -27.114 27.316 -28.857 1.00 0.00 C ATOM 1639 O PRO A 102 -27.080 27.705 -30.025 1.00 0.00 O ATOM 1640 CB PRO A 102 -25.044 25.970 -28.308 1.00 0.00 C ATOM 1641 CG PRO A 102 -25.212 25.095 -27.111 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.488 26.000 -25.950 1.00 0.00 C ATOM 0 HA PRO A 102 -25.292 28.161 -28.270 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -25.419 25.478 -29.206 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.992 26.194 -28.483 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -26.033 24.393 -27.257 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -24.314 24.503 -26.935 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -26.153 25.531 -25.225 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.573 26.262 -25.420 1.00 0.00 H new ATOM 1650 N VAL A 103 -28.240 26.950 -28.249 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.543 27.043 -28.904 1.00 0.00 C ATOM 1652 C VAL A 103 -29.927 28.505 -29.155 1.00 0.00 C ATOM 1653 O VAL A 103 -30.799 28.798 -29.970 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.642 26.341 -28.064 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -32.008 26.457 -28.718 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -30.290 24.880 -27.850 1.00 0.00 C ATOM 0 H VAL A 103 -28.276 26.584 -27.298 1.00 0.00 H new ATOM 0 HA VAL A 103 -29.465 26.534 -29.865 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.690 26.845 -27.099 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -32.751 25.953 -28.100 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -32.274 27.509 -28.820 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.980 25.992 -29.704 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -31.070 24.401 -27.259 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -30.207 24.381 -28.815 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -29.339 24.808 -27.322 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.257 29.430 -28.473 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.512 30.850 -28.686 1.00 0.00 C ATOM 1668 C LYS A 104 -29.041 31.257 -30.078 1.00 0.00 C ATOM 1669 O LYS A 104 -29.421 32.304 -30.601 1.00 0.00 O ATOM 1670 CB LYS A 104 -28.827 31.707 -27.612 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.222 33.179 -27.671 1.00 0.00 C ATOM 1672 CD LYS A 104 -28.553 34.002 -26.579 1.00 0.00 C ATOM 1673 CE LYS A 104 -27.039 33.959 -26.689 1.00 0.00 C ATOM 1674 NZ LYS A 104 -26.385 34.969 -25.813 1.00 0.00 N ATOM 0 H LYS A 104 -28.541 29.225 -27.776 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.586 31.022 -28.608 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -29.076 31.311 -26.628 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.746 31.623 -27.725 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -28.953 33.586 -28.646 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -30.304 33.266 -27.577 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -28.893 35.036 -26.643 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -28.857 33.626 -25.602 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -26.685 32.964 -26.421 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -26.746 34.134 -27.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -25.383 35.059 -26.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -26.858 35.888 -25.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -26.457 34.666 -24.821 1.00 0.00 H new