USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 658 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 61 ASN : amide:sc= -0.241 X(o=-0.56,f=-0.95) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.318 X(o=-0.56,f=-0.95) USER MOD Set 2.1: A 28 SER OG : rot -5:sc= 0.254 USER MOD Set 2.2: A 68 THR OG1 : rot 140:sc= 0.229 USER MOD Set 3.1: A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00591) USER MOD Set 3.2: A 25 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.3) USER MOD Single : A 11 THR OG1 : rot -24:sc= 0.816 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 136:sc= -0.262 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 110:sc= -0.239 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00283) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.81) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc=-0.00109 (180deg=-0.0891) USER MOD Single : A 47 ASN : amide:sc= 0.852 K(o=0.85,f=0) USER MOD Single : A 50 ASN : amide:sc= -0.221 K(o=-0.22,f=-5.9!) USER MOD Single : A 56 LYS NZ :NH3+ -118:sc= 0.0254 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.23) USER MOD Single : A 62 ASN : amide:sc= -7.77! C(o=-7.8!,f=-10!) USER MOD Single : A 64 HIS : no HE2:sc= -2.83! C(o=-2.8!,f=-8.9!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.26 K(o=1.3,f=-0.032) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00427 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -2.06 K(o=-2.1,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 11 -4.939 3.694 -7.439 1.00 0.43 N ATOM 242 CA THR A 11 -5.360 2.392 -6.981 1.00 0.36 C ATOM 243 C THR A 11 -5.105 1.319 -8.021 1.00 0.37 C ATOM 244 O THR A 11 -5.966 0.993 -8.834 1.00 0.44 O ATOM 245 CB THR A 11 -6.833 2.402 -6.586 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.455 3.591 -7.086 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.965 2.340 -5.080 1.00 0.54 C ATOM 0 HA THR A 11 -4.762 2.154 -6.101 1.00 0.36 H new ATOM 0 HB THR A 11 -7.327 1.531 -7.017 1.00 0.44 H new ATOM 0 HG1 THR A 11 -6.776 4.285 -7.218 1.00 0.60 H new ATOM 0 HG21 THR A 11 -8.020 2.348 -4.807 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.501 1.425 -4.711 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.469 3.203 -4.635 1.00 0.54 H new ATOM 255 N SER A 12 -3.892 0.809 -8.010 1.00 0.36 N ATOM 256 CA SER A 12 -3.520 -0.301 -8.853 1.00 0.40 C ATOM 257 C SER A 12 -2.687 -1.283 -8.050 1.00 0.34 C ATOM 258 O SER A 12 -1.456 -1.283 -8.119 1.00 0.41 O ATOM 259 CB SER A 12 -2.761 0.191 -10.077 1.00 0.53 C ATOM 260 OG SER A 12 -3.509 1.182 -10.765 1.00 1.26 O ATOM 0 H SER A 12 -3.138 1.154 -7.416 1.00 0.36 H new ATOM 0 HA SER A 12 -4.418 -0.808 -9.205 1.00 0.40 H new ATOM 0 HB2 SER A 12 -1.798 0.601 -9.774 1.00 0.53 H new ATOM 0 HB3 SER A 12 -2.556 -0.646 -10.745 1.00 0.53 H new ATOM 0 HG SER A 12 -3.005 1.488 -11.548 1.00 1.26 H new ATOM 266 N GLY A 13 -3.372 -2.096 -7.253 1.00 0.28 N ATOM 267 CA GLY A 13 -2.696 -3.076 -6.428 1.00 0.29 C ATOM 268 C GLY A 13 -2.026 -4.152 -7.249 1.00 0.27 C ATOM 269 O GLY A 13 -1.245 -4.946 -6.732 1.00 0.27 O ATOM 0 H GLY A 13 -4.388 -2.092 -7.165 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -1.950 -2.575 -5.811 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.415 -3.535 -5.749 1.00 0.29 H new ATOM 273 N GLU A 14 -2.312 -4.157 -8.537 1.00 0.28 N ATOM 274 CA GLU A 14 -1.788 -5.163 -9.441 1.00 0.26 C ATOM 275 C GLU A 14 -0.261 -5.130 -9.480 1.00 0.20 C ATOM 276 O GLU A 14 0.388 -6.155 -9.655 1.00 0.23 O ATOM 277 CB GLU A 14 -2.358 -4.945 -10.844 1.00 0.32 C ATOM 278 CG GLU A 14 -2.234 -3.506 -11.329 1.00 0.35 C ATOM 279 CD GLU A 14 -2.712 -3.323 -12.751 1.00 0.95 C ATOM 280 OE1 GLU A 14 -1.893 -3.471 -13.679 1.00 0.99 O ATOM 281 OE2 GLU A 14 -3.910 -3.034 -12.950 1.00 1.60 O ATOM 0 H GLU A 14 -2.913 -3.465 -8.985 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.092 -6.144 -9.076 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -1.843 -5.603 -11.544 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.409 -5.234 -10.850 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -2.809 -2.855 -10.671 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.193 -3.192 -11.257 1.00 0.35 H new ATOM 288 N SER A 15 0.302 -3.950 -9.279 1.00 0.21 N ATOM 289 CA SER A 15 1.740 -3.757 -9.373 1.00 0.22 C ATOM 290 C SER A 15 2.435 -4.137 -8.063 1.00 0.19 C ATOM 291 O SER A 15 3.654 -4.164 -8.006 1.00 0.22 O ATOM 292 CB SER A 15 2.055 -2.306 -9.737 1.00 0.31 C ATOM 293 OG SER A 15 3.382 -2.162 -10.216 1.00 0.74 O ATOM 0 H SER A 15 -0.220 -3.105 -9.048 1.00 0.21 H new ATOM 0 HA SER A 15 2.119 -4.411 -10.158 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.354 -1.961 -10.497 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.913 -1.672 -8.862 1.00 0.31 H new ATOM 0 HG SER A 15 3.549 -1.223 -10.441 1.00 0.74 H new ATOM 299 N LEU A 16 1.645 -4.410 -7.020 1.00 0.16 N ATOM 300 CA LEU A 16 2.159 -4.701 -5.668 1.00 0.14 C ATOM 301 C LEU A 16 3.417 -5.566 -5.670 1.00 0.14 C ATOM 302 O LEU A 16 4.443 -5.176 -5.116 1.00 0.16 O ATOM 303 CB LEU A 16 1.076 -5.388 -4.848 1.00 0.16 C ATOM 304 CG LEU A 16 0.504 -4.556 -3.702 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.323 -3.103 -4.116 1.00 0.16 C ATOM 306 CD2 LEU A 16 -0.816 -5.148 -3.255 1.00 0.18 C ATOM 0 H LEU A 16 0.627 -4.437 -7.085 1.00 0.16 H new ATOM 0 HA LEU A 16 2.434 -3.743 -5.226 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.261 -5.669 -5.515 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.484 -6.311 -4.437 1.00 0.16 H new ATOM 0 HG LEU A 16 1.209 -4.578 -2.871 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.086 -2.535 -3.280 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.287 -2.684 -4.403 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.363 -3.048 -4.962 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.223 -4.553 -2.437 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.517 -5.145 -4.090 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.659 -6.172 -2.916 1.00 0.18 H new ATOM 318 N TYR A 17 3.341 -6.732 -6.301 1.00 0.17 N ATOM 319 CA TYR A 17 4.474 -7.654 -6.331 1.00 0.20 C ATOM 320 C TYR A 17 5.687 -7.042 -7.034 1.00 0.24 C ATOM 321 O TYR A 17 6.827 -7.413 -6.756 1.00 0.34 O ATOM 322 CB TYR A 17 4.086 -8.983 -6.990 1.00 0.25 C ATOM 323 CG TYR A 17 3.286 -8.865 -8.272 1.00 0.63 C ATOM 324 CD1 TYR A 17 3.885 -8.482 -9.465 1.00 1.22 C ATOM 325 CD2 TYR A 17 1.929 -9.164 -8.287 1.00 0.69 C ATOM 326 CE1 TYR A 17 3.156 -8.398 -10.634 1.00 1.66 C ATOM 327 CE2 TYR A 17 1.192 -9.080 -9.453 1.00 1.08 C ATOM 328 CZ TYR A 17 1.811 -8.697 -10.623 1.00 1.53 C ATOM 329 OH TYR A 17 1.081 -8.616 -11.791 1.00 1.99 O ATOM 0 H TYR A 17 2.513 -7.062 -6.797 1.00 0.17 H new ATOM 0 HA TYR A 17 4.755 -7.850 -5.296 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.997 -9.544 -7.201 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.509 -9.569 -6.274 1.00 0.25 H new ATOM 0 HD1 TYR A 17 4.939 -8.246 -9.478 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.442 -9.467 -7.372 1.00 0.69 H new ATOM 0 HE1 TYR A 17 3.638 -8.099 -11.553 1.00 1.66 H new ATOM 0 HE2 TYR A 17 0.137 -9.313 -9.447 1.00 1.08 H new ATOM 0 HH TYR A 17 0.149 -8.860 -11.612 1.00 1.99 H new ATOM 339 N HIS A 18 5.435 -6.092 -7.923 1.00 0.22 N ATOM 340 CA HIS A 18 6.496 -5.433 -8.677 1.00 0.26 C ATOM 341 C HIS A 18 6.989 -4.196 -7.941 1.00 0.23 C ATOM 342 O HIS A 18 8.069 -3.679 -8.221 1.00 0.29 O ATOM 343 CB HIS A 18 5.985 -5.032 -10.065 1.00 0.31 C ATOM 344 CG HIS A 18 7.069 -4.576 -10.996 1.00 0.82 C ATOM 345 ND1 HIS A 18 7.243 -3.261 -11.367 1.00 1.62 N ATOM 346 CD2 HIS A 18 8.045 -5.272 -11.623 1.00 1.37 C ATOM 347 CE1 HIS A 18 8.277 -3.169 -12.182 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.785 -4.374 -12.353 1.00 1.74 N ATOM 0 H HIS A 18 4.497 -5.757 -8.142 1.00 0.22 H new ATOM 0 HA HIS A 18 7.324 -6.133 -8.784 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.468 -5.881 -10.512 1.00 0.31 H new ATOM 0 HB3 HIS A 18 5.252 -4.233 -9.956 1.00 0.31 H new ATOM 0 HD2 HIS A 18 8.212 -6.337 -11.561 1.00 1.37 H new ATOM 0 HE1 HIS A 18 8.645 -2.260 -12.633 1.00 1.96 H new ATOM 0 HE2 HIS A 18 9.594 -4.602 -12.932 1.00 1.74 H new ATOM 357 N VAL A 19 6.184 -3.731 -7.004 1.00 0.17 N ATOM 358 CA VAL A 19 6.489 -2.531 -6.251 1.00 0.16 C ATOM 359 C VAL A 19 7.757 -2.716 -5.419 1.00 0.17 C ATOM 360 O VAL A 19 8.610 -1.829 -5.356 1.00 0.20 O ATOM 361 CB VAL A 19 5.296 -2.141 -5.345 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.694 -1.100 -4.328 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.142 -1.616 -6.177 1.00 0.19 C ATOM 0 H VAL A 19 5.303 -4.174 -6.745 1.00 0.17 H new ATOM 0 HA VAL A 19 6.665 -1.722 -6.960 1.00 0.16 H new ATOM 0 HB VAL A 19 4.982 -3.041 -4.817 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.833 -0.849 -3.708 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.492 -1.493 -3.698 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.045 -0.205 -4.842 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.314 -1.347 -5.522 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.465 -0.736 -6.733 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.817 -2.387 -6.876 1.00 0.19 H new ATOM 373 N LEU A 20 7.882 -3.880 -4.805 1.00 0.18 N ATOM 374 CA LEU A 20 9.028 -4.172 -3.946 1.00 0.24 C ATOM 375 C LEU A 20 9.794 -5.407 -4.421 1.00 0.27 C ATOM 376 O LEU A 20 11.001 -5.512 -4.209 1.00 0.33 O ATOM 377 CB LEU A 20 8.592 -4.336 -2.485 1.00 0.28 C ATOM 378 CG LEU A 20 7.095 -4.568 -2.253 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.641 -5.879 -2.868 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.785 -4.543 -0.763 1.00 0.28 C ATOM 0 H LEU A 20 7.207 -4.641 -4.882 1.00 0.18 H new ATOM 0 HA LEU A 20 9.704 -3.320 -4.011 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.140 -5.174 -2.055 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.891 -3.444 -1.935 1.00 0.28 H new ATOM 0 HG LEU A 20 6.547 -3.763 -2.742 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.575 -6.016 -2.687 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.827 -5.861 -3.942 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.194 -6.703 -2.417 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.719 -4.709 -0.610 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.350 -5.328 -0.261 1.00 0.28 H new ATOM 0 HD23 LEU A 20 7.064 -3.574 -0.349 1.00 0.28 H new ATOM 392 N GLY A 21 9.093 -6.333 -5.072 1.00 0.27 N ATOM 393 CA GLY A 21 9.731 -7.553 -5.541 1.00 0.32 C ATOM 394 C GLY A 21 9.438 -8.757 -4.657 1.00 0.34 C ATOM 395 O GLY A 21 10.348 -9.506 -4.294 1.00 0.65 O ATOM 0 H GLY A 21 8.098 -6.261 -5.283 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.395 -7.765 -6.556 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.809 -7.398 -5.588 1.00 0.32 H new ATOM 399 N LEU A 22 8.166 -8.947 -4.326 1.00 0.19 N ATOM 400 CA LEU A 22 7.724 -10.079 -3.512 1.00 0.16 C ATOM 401 C LEU A 22 6.207 -10.197 -3.639 1.00 0.17 C ATOM 402 O LEU A 22 5.548 -9.211 -3.966 1.00 0.19 O ATOM 403 CB LEU A 22 8.118 -9.867 -2.036 1.00 0.14 C ATOM 404 CG LEU A 22 8.461 -11.136 -1.227 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.764 -12.308 -2.143 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.659 -10.885 -0.334 1.00 0.18 C ATOM 0 H LEU A 22 7.411 -8.323 -4.612 1.00 0.19 H new ATOM 0 HA LEU A 22 8.202 -10.994 -3.860 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.979 -9.199 -2.005 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.298 -9.353 -1.534 1.00 0.14 H new ATOM 0 HG LEU A 22 7.591 -11.380 -0.617 1.00 0.15 H new ATOM 0 HD11 LEU A 22 9.002 -13.187 -1.543 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.894 -12.518 -2.765 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.614 -12.062 -2.779 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.888 -11.789 0.230 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.518 -10.612 -0.946 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.433 -10.073 0.358 1.00 0.18 H new ATOM 418 N ASP A 23 5.663 -11.388 -3.407 1.00 0.18 N ATOM 419 CA ASP A 23 4.209 -11.590 -3.396 1.00 0.21 C ATOM 420 C ASP A 23 3.856 -13.014 -3.070 1.00 0.23 C ATOM 421 O ASP A 23 4.152 -13.911 -3.853 1.00 0.26 O ATOM 422 CB ASP A 23 3.551 -11.278 -4.725 1.00 0.29 C ATOM 423 CG ASP A 23 2.044 -11.169 -4.595 1.00 1.05 C ATOM 424 OD1 ASP A 23 1.564 -10.491 -3.660 1.00 1.77 O ATOM 425 OD2 ASP A 23 1.333 -11.764 -5.426 1.00 1.13 O ATOM 0 H ASP A 23 6.205 -12.233 -3.223 1.00 0.18 H new ATOM 0 HA ASP A 23 3.843 -10.901 -2.635 1.00 0.21 H new ATOM 0 HB2 ASP A 23 3.951 -10.343 -5.118 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.798 -12.058 -5.445 1.00 0.29 H new ATOM 430 N LYS A 24 3.240 -13.202 -1.908 1.00 0.23 N ATOM 431 CA LYS A 24 2.574 -14.455 -1.512 1.00 0.28 C ATOM 432 C LYS A 24 3.437 -15.714 -1.664 1.00 0.28 C ATOM 433 O LYS A 24 2.950 -16.830 -1.480 1.00 0.34 O ATOM 434 CB LYS A 24 1.249 -14.605 -2.279 1.00 0.35 C ATOM 435 CG LYS A 24 1.405 -14.827 -3.769 1.00 0.37 C ATOM 436 CD LYS A 24 1.183 -16.279 -4.137 1.00 0.43 C ATOM 437 CE LYS A 24 2.360 -16.821 -4.910 1.00 0.50 C ATOM 438 NZ LYS A 24 2.481 -16.184 -6.249 1.00 1.42 N ATOM 0 H LYS A 24 3.184 -12.476 -1.193 1.00 0.23 H new ATOM 0 HA LYS A 24 2.385 -14.371 -0.442 1.00 0.28 H new ATOM 0 HB2 LYS A 24 0.692 -15.442 -1.857 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.648 -13.710 -2.119 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.694 -14.201 -4.308 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.403 -14.519 -4.082 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.033 -16.869 -3.233 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.276 -16.373 -4.734 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.276 -16.653 -4.343 1.00 0.50 H new ATOM 0 HE3 LYS A 24 2.252 -17.899 -5.029 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.270 -16.618 -6.770 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 1.598 -16.322 -6.780 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 2.660 -15.166 -6.134 1.00 1.42 H new ATOM 452 N ASN A 25 4.709 -15.546 -1.970 1.00 0.25 N ATOM 453 CA ASN A 25 5.627 -16.664 -1.975 1.00 0.28 C ATOM 454 C ASN A 25 6.408 -16.651 -0.680 1.00 0.25 C ATOM 455 O ASN A 25 6.736 -17.689 -0.107 1.00 0.31 O ATOM 456 CB ASN A 25 6.606 -16.609 -3.153 1.00 0.31 C ATOM 457 CG ASN A 25 5.956 -16.870 -4.497 1.00 0.35 C ATOM 458 OD1 ASN A 25 5.761 -18.019 -4.895 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.643 -15.809 -5.218 1.00 0.37 N ATOM 0 H ASN A 25 5.127 -14.649 -2.217 1.00 0.25 H new ATOM 0 HA ASN A 25 5.044 -17.579 -2.077 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.082 -15.628 -3.173 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.396 -17.343 -2.992 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.224 -15.925 -6.141 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.821 -14.873 -4.852 1.00 0.37 H new ATOM 466 N ALA A 26 6.696 -15.439 -0.234 1.00 0.20 N ATOM 467 CA ALA A 26 7.421 -15.215 0.997 1.00 0.19 C ATOM 468 C ALA A 26 6.479 -15.228 2.171 1.00 0.19 C ATOM 469 O ALA A 26 5.268 -15.056 2.022 1.00 0.24 O ATOM 470 CB ALA A 26 8.149 -13.891 0.931 1.00 0.18 C ATOM 0 H ALA A 26 6.431 -14.583 -0.720 1.00 0.20 H new ATOM 0 HA ALA A 26 8.148 -16.017 1.126 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.693 -13.728 1.861 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.851 -13.903 0.097 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.428 -13.086 0.787 1.00 0.18 H new ATOM 476 N THR A 27 7.044 -15.444 3.330 1.00 0.21 N ATOM 477 CA THR A 27 6.300 -15.412 4.562 1.00 0.24 C ATOM 478 C THR A 27 6.242 -13.981 5.070 1.00 0.21 C ATOM 479 O THR A 27 6.796 -13.076 4.439 1.00 0.21 O ATOM 480 CB THR A 27 6.981 -16.305 5.607 1.00 0.30 C ATOM 481 OG1 THR A 27 8.133 -15.639 6.134 1.00 0.33 O ATOM 482 CG2 THR A 27 7.416 -17.609 4.966 1.00 0.35 C ATOM 0 H THR A 27 8.037 -15.648 3.447 1.00 0.21 H new ATOM 0 HA THR A 27 5.290 -15.781 4.387 1.00 0.24 H new ATOM 0 HB THR A 27 6.274 -16.510 6.410 1.00 0.30 H new ATOM 0 HG1 THR A 27 8.154 -15.743 7.108 1.00 0.33 H new ATOM 0 HG21 THR A 27 7.899 -18.239 5.713 1.00 0.35 H new ATOM 0 HG22 THR A 27 6.544 -18.126 4.565 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.118 -17.401 4.158 1.00 0.35 H new ATOM 490 N SER A 28 5.604 -13.774 6.207 1.00 0.26 N ATOM 491 CA SER A 28 5.583 -12.464 6.834 1.00 0.32 C ATOM 492 C SER A 28 6.998 -12.012 7.191 1.00 0.31 C ATOM 493 O SER A 28 7.230 -10.850 7.511 1.00 0.41 O ATOM 494 CB SER A 28 4.681 -12.478 8.067 1.00 0.40 C ATOM 495 OG SER A 28 3.344 -12.800 7.711 1.00 1.54 O ATOM 0 H SER A 28 5.093 -14.496 6.716 1.00 0.26 H new ATOM 0 HA SER A 28 5.174 -11.746 6.123 1.00 0.32 H new ATOM 0 HB2 SER A 28 5.055 -13.205 8.788 1.00 0.40 H new ATOM 0 HB3 SER A 28 4.708 -11.503 8.554 1.00 0.40 H new ATOM 0 HG SER A 28 3.271 -12.863 6.736 1.00 1.54 H new ATOM 501 N ASP A 29 7.942 -12.938 7.146 1.00 0.27 N ATOM 502 CA ASP A 29 9.339 -12.596 7.336 1.00 0.34 C ATOM 503 C ASP A 29 9.892 -11.899 6.100 1.00 0.32 C ATOM 504 O ASP A 29 10.297 -10.740 6.172 1.00 0.44 O ATOM 505 CB ASP A 29 10.178 -13.835 7.657 1.00 0.38 C ATOM 506 CG ASP A 29 9.901 -14.378 9.041 1.00 0.97 C ATOM 507 OD1 ASP A 29 10.410 -13.798 10.023 1.00 0.96 O ATOM 508 OD2 ASP A 29 9.181 -15.394 9.156 1.00 1.68 O ATOM 0 H ASP A 29 7.766 -13.929 6.980 1.00 0.27 H new ATOM 0 HA ASP A 29 9.399 -11.915 8.185 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.973 -14.610 6.918 1.00 0.38 H new ATOM 0 HB3 ASP A 29 11.236 -13.586 7.573 1.00 0.38 H new ATOM 513 N ASP A 30 9.865 -12.577 4.950 1.00 0.22 N ATOM 514 CA ASP A 30 10.542 -12.059 3.763 1.00 0.21 C ATOM 515 C ASP A 30 9.771 -10.918 3.115 1.00 0.16 C ATOM 516 O ASP A 30 10.368 -9.909 2.732 1.00 0.17 O ATOM 517 CB ASP A 30 10.806 -13.178 2.757 1.00 0.23 C ATOM 518 CG ASP A 30 12.136 -13.864 2.994 1.00 0.89 C ATOM 519 OD1 ASP A 30 12.200 -14.755 3.868 1.00 1.22 O ATOM 520 OD2 ASP A 30 13.125 -13.518 2.316 1.00 1.81 O ATOM 0 H ASP A 30 9.390 -13.470 4.818 1.00 0.22 H new ATOM 0 HA ASP A 30 11.500 -11.654 4.090 1.00 0.21 H new ATOM 0 HB2 ASP A 30 10.004 -13.914 2.817 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.786 -12.768 1.747 1.00 0.23 H new ATOM 525 N ILE A 31 8.457 -11.081 2.986 1.00 0.14 N ATOM 526 CA ILE A 31 7.586 -10.030 2.464 1.00 0.14 C ATOM 527 C ILE A 31 7.895 -8.669 3.093 1.00 0.14 C ATOM 528 O ILE A 31 8.119 -7.683 2.389 1.00 0.16 O ATOM 529 CB ILE A 31 6.098 -10.350 2.732 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.679 -11.667 2.072 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.216 -9.210 2.246 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.575 -11.603 0.569 1.00 0.42 C ATOM 0 H ILE A 31 7.968 -11.940 3.238 1.00 0.14 H new ATOM 0 HA ILE A 31 7.774 -9.988 1.391 1.00 0.14 H new ATOM 0 HB ILE A 31 5.970 -10.463 3.809 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.398 -12.440 2.342 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.715 -11.973 2.478 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.171 -9.450 2.442 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.483 -8.294 2.773 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.362 -9.068 1.175 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.273 -12.577 0.183 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.833 -10.856 0.287 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.543 -11.330 0.149 1.00 0.42 H new ATOM 544 N LYS A 32 7.919 -8.624 4.421 1.00 0.17 N ATOM 545 CA LYS A 32 8.069 -7.360 5.134 1.00 0.21 C ATOM 546 C LYS A 32 9.458 -6.760 4.926 1.00 0.20 C ATOM 547 O LYS A 32 9.606 -5.541 4.868 1.00 0.21 O ATOM 548 CB LYS A 32 7.784 -7.542 6.625 1.00 0.29 C ATOM 549 CG LYS A 32 6.409 -8.126 6.903 1.00 0.33 C ATOM 550 CD LYS A 32 5.309 -7.310 6.253 1.00 0.35 C ATOM 551 CE LYS A 32 3.996 -8.069 6.219 1.00 0.43 C ATOM 552 NZ LYS A 32 3.425 -8.291 7.577 1.00 0.88 N ATOM 0 H LYS A 32 7.837 -9.443 5.023 1.00 0.17 H new ATOM 0 HA LYS A 32 7.339 -6.663 4.722 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.543 -8.194 7.057 1.00 0.29 H new ATOM 0 HB3 LYS A 32 7.870 -6.578 7.126 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.368 -9.151 6.534 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.243 -8.168 7.979 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.176 -6.377 6.800 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.603 -7.045 5.237 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.278 -7.517 5.613 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.150 -9.032 5.732 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.529 -8.813 7.496 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 4.096 -8.841 8.150 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.250 -7.373 8.034 1.00 0.88 H new ATOM 566 N LYS A 33 10.472 -7.611 4.807 1.00 0.21 N ATOM 567 CA LYS A 33 11.836 -7.143 4.560 1.00 0.22 C ATOM 568 C LYS A 33 11.938 -6.562 3.159 1.00 0.19 C ATOM 569 O LYS A 33 12.639 -5.575 2.934 1.00 0.19 O ATOM 570 CB LYS A 33 12.842 -8.284 4.698 1.00 0.28 C ATOM 571 CG LYS A 33 12.737 -9.055 6.000 1.00 0.35 C ATOM 572 CD LYS A 33 12.996 -8.176 7.213 1.00 0.49 C ATOM 573 CE LYS A 33 12.842 -8.971 8.498 1.00 0.62 C ATOM 574 NZ LYS A 33 13.128 -8.154 9.704 1.00 1.41 N ATOM 0 H LYS A 33 10.378 -8.624 4.877 1.00 0.21 H new ATOM 0 HA LYS A 33 12.067 -6.377 5.301 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.705 -8.976 3.867 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.849 -7.877 4.611 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.744 -9.496 6.079 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.452 -9.878 5.991 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.001 -7.758 7.157 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.301 -7.336 7.214 1.00 0.49 H new ATOM 0 HE2 LYS A 33 11.827 -9.364 8.560 1.00 0.62 H new ATOM 0 HE3 LYS A 33 13.515 -9.828 8.475 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 13.010 -8.739 10.556 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 14.105 -7.800 9.660 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 12.470 -7.350 9.743 1.00 1.41 H new ATOM 588 N SER A 34 11.220 -7.183 2.226 1.00 0.18 N ATOM 589 CA SER A 34 11.180 -6.725 0.842 1.00 0.18 C ATOM 590 C SER A 34 10.663 -5.296 0.780 1.00 0.19 C ATOM 591 O SER A 34 11.032 -4.525 -0.099 1.00 0.30 O ATOM 592 CB SER A 34 10.281 -7.640 0.007 1.00 0.21 C ATOM 593 OG SER A 34 10.353 -7.323 -1.375 1.00 0.26 O ATOM 0 H SER A 34 10.654 -8.012 2.407 1.00 0.18 H new ATOM 0 HA SER A 34 12.191 -6.756 0.435 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.576 -8.678 0.159 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.250 -7.549 0.349 1.00 0.21 H new ATOM 0 HG SER A 34 10.822 -8.040 -1.851 1.00 0.26 H new ATOM 599 N TYR A 35 9.801 -4.963 1.723 1.00 0.17 N ATOM 600 CA TYR A 35 9.295 -3.613 1.857 1.00 0.18 C ATOM 601 C TYR A 35 10.332 -2.713 2.509 1.00 0.18 C ATOM 602 O TYR A 35 10.588 -1.628 2.035 1.00 0.26 O ATOM 603 CB TYR A 35 8.012 -3.616 2.693 1.00 0.22 C ATOM 604 CG TYR A 35 7.749 -2.320 3.437 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.211 -1.221 2.780 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.045 -2.193 4.786 1.00 0.29 C ATOM 607 CE1 TYR A 35 6.977 -0.035 3.444 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.811 -1.009 5.458 1.00 0.38 C ATOM 609 CZ TYR A 35 7.256 0.042 4.816 1.00 0.42 C ATOM 610 OH TYR A 35 7.058 1.251 5.444 1.00 0.51 O ATOM 0 H TYR A 35 9.435 -5.618 2.413 1.00 0.17 H new ATOM 0 HA TYR A 35 9.076 -3.227 0.861 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.166 -3.824 2.038 1.00 0.22 H new ATOM 0 HB3 TYR A 35 8.064 -4.431 3.414 1.00 0.22 H new ATOM 0 HD1 TYR A 35 6.971 -1.296 1.730 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.465 -3.033 5.319 1.00 0.29 H new ATOM 0 HE1 TYR A 35 6.585 0.821 2.915 1.00 0.40 H new ATOM 0 HE2 TYR A 35 8.073 -0.923 6.502 1.00 0.38 H new ATOM 0 HH TYR A 35 7.288 1.168 6.393 1.00 0.51 H new ATOM 620 N ARG A 36 10.936 -3.199 3.576 1.00 0.16 N ATOM 621 CA ARG A 36 11.752 -2.363 4.462 1.00 0.19 C ATOM 622 C ARG A 36 13.004 -1.830 3.792 1.00 0.21 C ATOM 623 O ARG A 36 13.111 -0.634 3.557 1.00 0.23 O ATOM 624 CB ARG A 36 12.139 -3.122 5.716 1.00 0.25 C ATOM 625 CG ARG A 36 10.960 -3.410 6.614 1.00 0.29 C ATOM 626 CD ARG A 36 11.404 -3.887 7.980 1.00 0.42 C ATOM 627 NE ARG A 36 10.277 -4.276 8.826 1.00 0.83 N ATOM 628 CZ ARG A 36 10.126 -3.892 10.095 1.00 1.30 C ATOM 629 NH1 ARG A 36 10.992 -3.054 10.648 1.00 1.53 N ATOM 630 NH2 ARG A 36 9.100 -4.346 10.803 1.00 1.74 N ATOM 0 H ARG A 36 10.881 -4.177 3.860 1.00 0.16 H new ATOM 0 HA ARG A 36 11.129 -1.508 4.722 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.613 -4.062 5.434 1.00 0.25 H new ATOM 0 HB3 ARG A 36 12.879 -2.545 6.270 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.355 -2.510 6.721 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.326 -4.167 6.152 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.078 -4.736 7.864 1.00 0.42 H new ATOM 0 HD3 ARG A 36 11.969 -3.096 8.473 1.00 0.42 H new ATOM 0 HE ARG A 36 9.561 -4.879 8.421 1.00 0.83 H new ATOM 0 HH11 ARG A 36 11.778 -2.700 10.103 1.00 1.53 H new ATOM 0 HH12 ARG A 36 10.872 -2.764 11.618 1.00 1.53 H new ATOM 0 HH21 ARG A 36 8.430 -4.986 10.377 1.00 1.74 H new ATOM 0 HH22 ARG A 36 8.981 -4.055 11.773 1.00 1.74 H new ATOM 644 N LYS A 37 13.946 -2.714 3.481 1.00 0.35 N ATOM 645 CA LYS A 37 15.233 -2.298 2.905 1.00 0.45 C ATOM 646 C LYS A 37 15.031 -1.547 1.589 1.00 0.40 C ATOM 647 O LYS A 37 15.925 -0.860 1.097 1.00 0.43 O ATOM 648 CB LYS A 37 16.145 -3.513 2.694 1.00 0.67 C ATOM 649 CG LYS A 37 15.555 -4.595 1.799 1.00 0.78 C ATOM 650 CD LYS A 37 16.475 -5.804 1.720 1.00 1.04 C ATOM 651 CE LYS A 37 15.867 -6.936 0.906 1.00 0.85 C ATOM 652 NZ LYS A 37 15.757 -6.602 -0.538 1.00 1.37 N ATOM 0 H LYS A 37 13.849 -3.721 3.615 1.00 0.35 H new ATOM 0 HA LYS A 37 15.713 -1.619 3.610 1.00 0.45 H new ATOM 0 HB2 LYS A 37 17.087 -3.174 2.262 1.00 0.67 H new ATOM 0 HB3 LYS A 37 16.379 -3.949 3.665 1.00 0.67 H new ATOM 0 HG2 LYS A 37 14.582 -4.899 2.185 1.00 0.78 H new ATOM 0 HG3 LYS A 37 15.390 -4.194 0.799 1.00 0.78 H new ATOM 0 HD2 LYS A 37 17.424 -5.507 1.274 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.693 -6.159 2.727 1.00 1.04 H new ATOM 0 HE2 LYS A 37 16.477 -7.832 1.023 1.00 0.85 H new ATOM 0 HE3 LYS A 37 14.877 -7.170 1.298 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 15.353 -7.411 -1.052 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 15.140 -5.773 -0.657 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 16.701 -6.388 -0.918 1.00 1.37 H new ATOM 666 N LEU A 38 13.844 -1.699 1.042 1.00 0.45 N ATOM 667 CA LEU A 38 13.440 -1.063 -0.187 1.00 0.61 C ATOM 668 C LEU A 38 12.731 0.267 0.120 1.00 0.60 C ATOM 669 O LEU A 38 12.766 1.221 -0.652 1.00 0.76 O ATOM 670 CB LEU A 38 12.570 -2.101 -0.911 1.00 1.00 C ATOM 671 CG LEU A 38 11.535 -1.649 -1.934 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.294 -1.173 -1.209 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.090 -0.585 -2.874 1.00 0.44 C ATOM 0 H LEU A 38 13.117 -2.284 1.453 1.00 0.45 H new ATOM 0 HA LEU A 38 14.272 -0.782 -0.833 1.00 0.61 H new ATOM 0 HB2 LEU A 38 13.244 -2.793 -1.416 1.00 1.00 H new ATOM 0 HB3 LEU A 38 12.042 -2.671 -0.146 1.00 1.00 H new ATOM 0 HG LEU A 38 11.270 -2.497 -2.566 1.00 0.27 H new ATOM 0 HD11 LEU A 38 9.550 -0.848 -1.936 1.00 0.57 H new ATOM 0 HD12 LEU A 38 9.886 -1.989 -0.612 1.00 0.57 H new ATOM 0 HD13 LEU A 38 10.551 -0.339 -0.556 1.00 0.57 H new ATOM 0 HD21 LEU A 38 11.319 -0.291 -3.587 1.00 0.44 H new ATOM 0 HD22 LEU A 38 12.400 0.285 -2.296 1.00 0.44 H new ATOM 0 HD23 LEU A 38 12.948 -0.987 -3.413 1.00 0.44 H new ATOM 685 N ALA A 39 12.112 0.312 1.269 1.00 0.49 N ATOM 686 CA ALA A 39 11.390 1.493 1.724 1.00 0.59 C ATOM 687 C ALA A 39 12.322 2.644 2.056 1.00 0.57 C ATOM 688 O ALA A 39 12.221 3.712 1.451 1.00 0.72 O ATOM 689 CB ALA A 39 10.529 1.166 2.928 1.00 0.59 C ATOM 0 H ALA A 39 12.088 -0.468 1.926 1.00 0.49 H new ATOM 0 HA ALA A 39 10.752 1.809 0.899 1.00 0.59 H new ATOM 0 HB1 ALA A 39 9.999 2.062 3.251 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.807 0.394 2.660 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.161 0.806 3.740 1.00 0.59 H new ATOM 695 N LEU A 40 13.237 2.441 3.004 1.00 0.44 N ATOM 696 CA LEU A 40 14.101 3.544 3.429 1.00 0.51 C ATOM 697 C LEU A 40 14.996 4.058 2.297 1.00 0.46 C ATOM 698 O LEU A 40 15.618 5.106 2.430 1.00 0.58 O ATOM 699 CB LEU A 40 14.941 3.239 4.698 1.00 0.56 C ATOM 700 CG LEU A 40 15.649 1.876 4.831 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.712 0.839 5.423 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.220 1.393 3.505 1.00 0.44 C ATOM 0 H LEU A 40 13.398 1.553 3.480 1.00 0.44 H new ATOM 0 HA LEU A 40 13.408 4.339 3.703 1.00 0.51 H new ATOM 0 HB2 LEU A 40 15.705 4.013 4.778 1.00 0.56 H new ATOM 0 HB3 LEU A 40 14.283 3.351 5.560 1.00 0.56 H new ATOM 0 HG LEU A 40 16.490 2.015 5.511 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.232 -0.115 5.508 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.387 1.164 6.411 1.00 0.48 H new ATOM 0 HD13 LEU A 40 13.843 0.722 4.776 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.709 0.429 3.649 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.414 1.286 2.779 1.00 0.44 H new ATOM 0 HD23 LEU A 40 16.947 2.117 3.136 1.00 0.44 H new ATOM 714 N LYS A 41 15.046 3.350 1.174 1.00 0.37 N ATOM 715 CA LYS A 41 15.868 3.808 0.062 1.00 0.40 C ATOM 716 C LYS A 41 15.073 4.710 -0.887 1.00 0.39 C ATOM 717 O LYS A 41 15.640 5.346 -1.772 1.00 0.48 O ATOM 718 CB LYS A 41 16.551 2.632 -0.654 1.00 0.51 C ATOM 719 CG LYS A 41 15.630 1.522 -1.120 1.00 0.62 C ATOM 720 CD LYS A 41 15.023 1.795 -2.483 1.00 0.65 C ATOM 721 CE LYS A 41 15.622 0.906 -3.565 1.00 0.72 C ATOM 722 NZ LYS A 41 17.049 1.224 -3.834 1.00 1.41 N ATOM 0 H LYS A 41 14.541 2.479 1.011 1.00 0.37 H new ATOM 0 HA LYS A 41 16.671 4.424 0.467 1.00 0.40 H new ATOM 0 HB2 LYS A 41 17.089 3.020 -1.519 1.00 0.51 H new ATOM 0 HB3 LYS A 41 17.295 2.204 0.018 1.00 0.51 H new ATOM 0 HG2 LYS A 41 16.187 0.586 -1.156 1.00 0.62 H new ATOM 0 HG3 LYS A 41 14.830 1.390 -0.391 1.00 0.62 H new ATOM 0 HD2 LYS A 41 13.946 1.635 -2.438 1.00 0.65 H new ATOM 0 HD3 LYS A 41 15.179 2.841 -2.746 1.00 0.65 H new ATOM 0 HE2 LYS A 41 15.536 -0.138 -3.263 1.00 0.72 H new ATOM 0 HE3 LYS A 41 15.048 1.020 -4.484 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 17.411 0.593 -4.577 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 17.131 2.212 -4.148 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.604 1.090 -2.965 1.00 1.41 H new ATOM 736 N TYR A 42 13.759 4.774 -0.686 1.00 0.36 N ATOM 737 CA TYR A 42 12.915 5.724 -1.416 1.00 0.36 C ATOM 738 C TYR A 42 12.463 6.859 -0.507 1.00 0.40 C ATOM 739 O TYR A 42 11.710 7.734 -0.924 1.00 0.40 O ATOM 740 CB TYR A 42 11.682 5.041 -2.009 1.00 0.33 C ATOM 741 CG TYR A 42 11.930 4.374 -3.338 1.00 0.36 C ATOM 742 CD1 TYR A 42 11.926 5.114 -4.512 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.167 3.014 -3.421 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.152 4.512 -5.735 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.393 2.402 -4.637 1.00 0.43 C ATOM 746 CZ TYR A 42 12.387 3.154 -5.792 1.00 0.45 C ATOM 747 OH TYR A 42 12.611 2.546 -7.007 1.00 0.52 O ATOM 0 H TYR A 42 13.254 4.182 -0.026 1.00 0.36 H new ATOM 0 HA TYR A 42 13.521 6.126 -2.228 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.317 4.295 -1.302 1.00 0.33 H new ATOM 0 HB3 TYR A 42 10.891 5.781 -2.128 1.00 0.33 H new ATOM 0 HD1 TYR A 42 11.743 6.178 -4.469 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.175 2.421 -2.519 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.145 5.101 -6.640 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.574 1.338 -4.683 1.00 0.43 H new ATOM 0 HH TYR A 42 12.760 1.587 -6.870 1.00 0.52 H new ATOM 757 N HIS A 43 12.920 6.840 0.740 1.00 0.46 N ATOM 758 CA HIS A 43 12.524 7.854 1.710 1.00 0.53 C ATOM 759 C HIS A 43 13.070 9.220 1.304 1.00 0.56 C ATOM 760 O HIS A 43 14.282 9.398 1.227 1.00 0.62 O ATOM 761 CB HIS A 43 13.048 7.493 3.105 1.00 0.62 C ATOM 762 CG HIS A 43 12.089 7.818 4.212 1.00 0.71 C ATOM 763 ND1 HIS A 43 12.489 8.124 5.495 1.00 1.17 N ATOM 764 CD2 HIS A 43 10.736 7.853 4.227 1.00 0.87 C ATOM 765 CE1 HIS A 43 11.425 8.331 6.247 1.00 1.12 C ATOM 766 NE2 HIS A 43 10.352 8.173 5.503 1.00 0.87 N ATOM 0 H HIS A 43 13.563 6.136 1.102 1.00 0.46 H new ATOM 0 HA HIS A 43 11.435 7.894 1.734 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.275 6.427 3.134 1.00 0.62 H new ATOM 0 HB3 HIS A 43 13.984 8.023 3.280 1.00 0.62 H new ATOM 0 HD2 HIS A 43 10.081 7.664 3.389 1.00 0.87 H new ATOM 0 HE1 HIS A 43 11.434 8.587 7.296 1.00 1.12 H new ATOM 0 HE2 HIS A 43 9.389 8.273 5.824 1.00 0.87 H new ATOM 775 N PRO A 44 12.188 10.199 1.031 1.00 0.54 N ATOM 776 CA PRO A 44 12.596 11.573 0.689 1.00 0.58 C ATOM 777 C PRO A 44 13.478 12.197 1.763 1.00 0.68 C ATOM 778 O PRO A 44 14.294 13.070 1.481 1.00 0.72 O ATOM 779 CB PRO A 44 11.277 12.342 0.582 1.00 0.58 C ATOM 780 CG PRO A 44 10.254 11.460 1.219 1.00 0.57 C ATOM 781 CD PRO A 44 10.727 10.052 1.006 1.00 0.51 C ATOM 0 HA PRO A 44 13.187 11.595 -0.227 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.340 13.303 1.092 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.025 12.549 -0.458 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.156 11.682 2.282 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.273 11.614 0.770 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.373 9.382 1.790 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.376 9.645 0.057 1.00 0.51 H new ATOM 789 N ASP A 45 13.301 11.745 2.998 1.00 0.74 N ATOM 790 CA ASP A 45 14.151 12.167 4.105 1.00 0.85 C ATOM 791 C ASP A 45 15.610 11.817 3.829 1.00 0.89 C ATOM 792 O ASP A 45 16.523 12.524 4.257 1.00 0.96 O ATOM 793 CB ASP A 45 13.690 11.502 5.400 1.00 0.92 C ATOM 794 CG ASP A 45 14.573 11.851 6.583 1.00 1.06 C ATOM 795 OD1 ASP A 45 14.416 12.955 7.142 1.00 1.11 O ATOM 796 OD2 ASP A 45 15.422 11.018 6.962 1.00 1.16 O ATOM 0 H ASP A 45 12.572 11.082 3.260 1.00 0.74 H new ATOM 0 HA ASP A 45 14.070 13.249 4.209 1.00 0.85 H new ATOM 0 HB2 ASP A 45 12.665 11.805 5.615 1.00 0.92 H new ATOM 0 HB3 ASP A 45 13.681 10.420 5.265 1.00 0.92 H new ATOM 801 N LYS A 46 15.821 10.734 3.095 1.00 0.87 N ATOM 802 CA LYS A 46 17.163 10.294 2.745 1.00 0.94 C ATOM 803 C LYS A 46 17.511 10.744 1.335 1.00 0.90 C ATOM 804 O LYS A 46 18.679 10.806 0.959 1.00 0.99 O ATOM 805 CB LYS A 46 17.274 8.772 2.837 1.00 1.00 C ATOM 806 CG LYS A 46 16.658 8.188 4.095 1.00 1.04 C ATOM 807 CD LYS A 46 17.136 6.769 4.341 1.00 1.13 C ATOM 808 CE LYS A 46 16.678 6.244 5.692 1.00 1.57 C ATOM 809 NZ LYS A 46 17.389 6.907 6.816 1.00 2.08 N ATOM 0 H LYS A 46 15.076 10.142 2.729 1.00 0.87 H new ATOM 0 HA LYS A 46 17.863 10.742 3.451 1.00 0.94 H new ATOM 0 HB2 LYS A 46 16.790 8.328 1.967 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.326 8.491 2.794 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.914 8.813 4.951 1.00 1.04 H new ATOM 0 HG3 LYS A 46 15.572 8.197 4.007 1.00 1.04 H new ATOM 0 HD2 LYS A 46 16.761 6.117 3.552 1.00 1.13 H new ATOM 0 HD3 LYS A 46 18.224 6.738 4.289 1.00 1.13 H new ATOM 0 HE2 LYS A 46 15.605 6.402 5.798 1.00 1.57 H new ATOM 0 HE3 LYS A 46 16.848 5.168 5.740 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 17.176 6.409 7.704 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 18.414 6.881 6.642 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 17.075 7.896 6.890 1.00 2.08 H new ATOM 823 N ASN A 47 16.484 11.071 0.565 1.00 0.79 N ATOM 824 CA ASN A 47 16.660 11.485 -0.819 1.00 0.77 C ATOM 825 C ASN A 47 15.921 12.793 -1.068 1.00 0.74 C ATOM 826 O ASN A 47 14.826 12.809 -1.634 1.00 0.66 O ATOM 827 CB ASN A 47 16.157 10.410 -1.787 1.00 0.69 C ATOM 828 CG ASN A 47 16.748 9.042 -1.508 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.779 8.666 -2.066 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.101 8.284 -0.633 1.00 0.71 N ATOM 0 H ASN A 47 15.513 11.057 0.878 1.00 0.79 H new ATOM 0 HA ASN A 47 17.726 11.630 -0.996 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.070 10.351 -1.723 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.401 10.704 -2.808 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.455 7.356 -0.403 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.249 8.629 -0.190 1.00 0.71 H new ATOM 837 N PRO A 48 16.493 13.900 -0.583 1.00 0.82 N ATOM 838 CA PRO A 48 15.926 15.242 -0.749 1.00 0.84 C ATOM 839 C PRO A 48 15.866 15.679 -2.207 1.00 0.84 C ATOM 840 O PRO A 48 16.588 15.148 -3.059 1.00 0.86 O ATOM 841 CB PRO A 48 16.895 16.139 0.025 1.00 0.93 C ATOM 842 CG PRO A 48 18.165 15.362 0.072 1.00 0.99 C ATOM 843 CD PRO A 48 17.739 13.930 0.191 1.00 0.92 C ATOM 0 HA PRO A 48 14.896 15.286 -0.394 1.00 0.84 H new ATOM 0 HB2 PRO A 48 17.034 17.097 -0.475 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.523 16.353 1.027 1.00 0.93 H new ATOM 0 HG2 PRO A 48 18.760 15.523 -0.827 1.00 0.99 H new ATOM 0 HG3 PRO A 48 18.780 15.663 0.920 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.486 13.250 -0.218 1.00 0.92 H new ATOM 0 HD3 PRO A 48 17.578 13.640 1.229 1.00 0.92 H new ATOM 851 N ASP A 49 14.987 16.640 -2.478 1.00 0.85 N ATOM 852 CA ASP A 49 14.795 17.196 -3.817 1.00 0.89 C ATOM 853 C ASP A 49 14.169 16.155 -4.739 1.00 0.82 C ATOM 854 O ASP A 49 14.127 16.319 -5.958 1.00 0.88 O ATOM 855 CB ASP A 49 16.116 17.713 -4.398 1.00 0.98 C ATOM 856 CG ASP A 49 15.905 18.630 -5.585 1.00 1.08 C ATOM 857 OD1 ASP A 49 15.439 19.774 -5.394 1.00 1.20 O ATOM 858 OD2 ASP A 49 16.219 18.216 -6.721 1.00 1.09 O ATOM 0 H ASP A 49 14.383 17.059 -1.771 1.00 0.85 H new ATOM 0 HA ASP A 49 14.114 18.044 -3.737 1.00 0.89 H new ATOM 0 HB2 ASP A 49 16.666 18.247 -3.623 1.00 0.98 H new ATOM 0 HB3 ASP A 49 16.732 16.867 -4.701 1.00 0.98 H new ATOM 863 N ASN A 50 13.660 15.086 -4.145 1.00 0.74 N ATOM 864 CA ASN A 50 13.009 14.036 -4.904 1.00 0.68 C ATOM 865 C ASN A 50 11.609 13.802 -4.358 1.00 0.64 C ATOM 866 O ASN A 50 11.397 12.951 -3.494 1.00 0.61 O ATOM 867 CB ASN A 50 13.812 12.731 -4.864 1.00 0.65 C ATOM 868 CG ASN A 50 13.391 11.766 -5.950 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.269 11.824 -6.454 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.278 10.861 -6.311 1.00 0.74 N ATOM 0 H ASN A 50 13.687 14.925 -3.138 1.00 0.74 H new ATOM 0 HA ASN A 50 12.949 14.358 -5.944 1.00 0.68 H new ATOM 0 HB2 ASN A 50 14.873 12.956 -4.972 1.00 0.65 H new ATOM 0 HB3 ASN A 50 13.684 12.258 -3.890 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.045 10.177 -7.031 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.198 10.844 -5.871 1.00 0.74 H new ATOM 877 N PRO A 51 10.636 14.578 -4.842 1.00 0.67 N ATOM 878 CA PRO A 51 9.244 14.468 -4.413 1.00 0.68 C ATOM 879 C PRO A 51 8.605 13.206 -4.968 1.00 0.66 C ATOM 880 O PRO A 51 7.661 12.656 -4.399 1.00 0.67 O ATOM 881 CB PRO A 51 8.568 15.711 -5.004 1.00 0.78 C ATOM 882 CG PRO A 51 9.665 16.541 -5.586 1.00 0.79 C ATOM 883 CD PRO A 51 10.811 15.618 -5.857 1.00 0.73 C ATOM 0 HA PRO A 51 9.149 14.410 -3.329 1.00 0.68 H new ATOM 0 HB2 PRO A 51 7.842 15.434 -5.768 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.027 16.263 -4.235 1.00 0.78 H new ATOM 0 HG2 PRO A 51 9.336 17.028 -6.504 1.00 0.79 H new ATOM 0 HG3 PRO A 51 9.960 17.331 -4.895 1.00 0.79 H new ATOM 0 HD2 PRO A 51 10.771 15.209 -6.867 1.00 0.73 H new ATOM 0 HD3 PRO A 51 11.771 16.124 -5.756 1.00 0.73 H new ATOM 891 N GLU A 52 9.145 12.762 -6.091 1.00 0.66 N ATOM 892 CA GLU A 52 8.701 11.537 -6.739 1.00 0.67 C ATOM 893 C GLU A 52 8.980 10.330 -5.851 1.00 0.57 C ATOM 894 O GLU A 52 8.204 9.375 -5.825 1.00 0.56 O ATOM 895 CB GLU A 52 9.409 11.375 -8.080 1.00 0.72 C ATOM 896 CG GLU A 52 9.336 12.621 -8.942 1.00 0.95 C ATOM 897 CD GLU A 52 9.950 12.426 -10.310 1.00 1.28 C ATOM 898 OE1 GLU A 52 11.190 12.484 -10.424 1.00 1.66 O ATOM 899 OE2 GLU A 52 9.192 12.211 -11.277 1.00 1.53 O ATOM 0 H GLU A 52 9.903 13.239 -6.579 1.00 0.66 H new ATOM 0 HA GLU A 52 7.626 11.601 -6.907 1.00 0.67 H new ATOM 0 HB2 GLU A 52 10.455 11.122 -7.905 1.00 0.72 H new ATOM 0 HB3 GLU A 52 8.965 10.539 -8.621 1.00 0.72 H new ATOM 0 HG2 GLU A 52 8.293 12.917 -9.056 1.00 0.95 H new ATOM 0 HG3 GLU A 52 9.846 13.439 -8.433 1.00 0.95 H new ATOM 906 N ALA A 53 10.086 10.390 -5.117 1.00 0.53 N ATOM 907 CA ALA A 53 10.459 9.318 -4.198 1.00 0.46 C ATOM 908 C ALA A 53 9.378 9.095 -3.150 1.00 0.42 C ATOM 909 O ALA A 53 9.160 7.971 -2.709 1.00 0.37 O ATOM 910 CB ALA A 53 11.787 9.624 -3.525 1.00 0.47 C ATOM 0 H ALA A 53 10.742 11.171 -5.140 1.00 0.53 H new ATOM 0 HA ALA A 53 10.566 8.403 -4.780 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.046 8.813 -2.845 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.564 9.724 -4.283 1.00 0.47 H new ATOM 0 HB3 ALA A 53 11.705 10.555 -2.964 1.00 0.47 H new ATOM 916 N ALA A 54 8.692 10.168 -2.765 1.00 0.45 N ATOM 917 CA ALA A 54 7.594 10.075 -1.808 1.00 0.44 C ATOM 918 C ALA A 54 6.490 9.185 -2.347 1.00 0.43 C ATOM 919 O ALA A 54 5.904 8.385 -1.616 1.00 0.41 O ATOM 920 CB ALA A 54 7.026 11.448 -1.513 1.00 0.51 C ATOM 0 H ALA A 54 8.878 11.113 -3.102 1.00 0.45 H new ATOM 0 HA ALA A 54 7.989 9.643 -0.888 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.209 11.358 -0.798 1.00 0.51 H new ATOM 0 HB2 ALA A 54 7.807 12.082 -1.094 1.00 0.51 H new ATOM 0 HB3 ALA A 54 6.653 11.893 -2.435 1.00 0.51 H new ATOM 926 N ASP A 55 6.218 9.338 -3.632 1.00 0.46 N ATOM 927 CA ASP A 55 5.187 8.568 -4.306 1.00 0.47 C ATOM 928 C ASP A 55 5.604 7.108 -4.394 1.00 0.39 C ATOM 929 O ASP A 55 4.801 6.203 -4.163 1.00 0.36 O ATOM 930 CB ASP A 55 4.948 9.148 -5.699 1.00 0.57 C ATOM 931 CG ASP A 55 3.822 8.456 -6.440 1.00 0.63 C ATOM 932 OD1 ASP A 55 2.660 8.897 -6.312 1.00 0.72 O ATOM 933 OD2 ASP A 55 4.091 7.473 -7.157 1.00 0.66 O ATOM 0 H ASP A 55 6.705 9.999 -4.237 1.00 0.46 H new ATOM 0 HA ASP A 55 4.258 8.624 -3.738 1.00 0.47 H new ATOM 0 HB2 ASP A 55 4.719 10.210 -5.611 1.00 0.57 H new ATOM 0 HB3 ASP A 55 5.865 9.067 -6.283 1.00 0.57 H new ATOM 938 N LYS A 56 6.873 6.887 -4.713 1.00 0.39 N ATOM 939 CA LYS A 56 7.439 5.546 -4.726 1.00 0.34 C ATOM 940 C LYS A 56 7.370 4.936 -3.336 1.00 0.28 C ATOM 941 O LYS A 56 6.964 3.789 -3.166 1.00 0.26 O ATOM 942 CB LYS A 56 8.893 5.593 -5.167 1.00 0.38 C ATOM 943 CG LYS A 56 9.161 6.424 -6.410 1.00 0.48 C ATOM 944 CD LYS A 56 8.654 5.758 -7.677 1.00 0.64 C ATOM 945 CE LYS A 56 7.172 6.015 -7.910 1.00 0.83 C ATOM 946 NZ LYS A 56 6.676 5.359 -9.149 1.00 0.98 N ATOM 0 H LYS A 56 7.531 7.623 -4.967 1.00 0.39 H new ATOM 0 HA LYS A 56 6.863 4.939 -5.425 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.493 5.989 -4.347 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.235 4.574 -5.349 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.685 7.399 -6.301 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.233 6.601 -6.501 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.223 6.125 -8.531 1.00 0.64 H new ATOM 0 HD3 LYS A 56 8.829 4.684 -7.616 1.00 0.64 H new ATOM 0 HE2 LYS A 56 6.603 5.650 -7.055 1.00 0.83 H new ATOM 0 HE3 LYS A 56 6.997 7.089 -7.975 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.334 6.083 -9.812 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.449 4.823 -9.591 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 5.898 4.712 -8.911 1.00 0.98 H new ATOM 960 N PHE A 57 7.755 5.729 -2.345 1.00 0.27 N ATOM 961 CA PHE A 57 7.759 5.296 -0.954 1.00 0.24 C ATOM 962 C PHE A 57 6.341 4.991 -0.489 1.00 0.24 C ATOM 963 O PHE A 57 6.131 4.263 0.470 1.00 0.26 O ATOM 964 CB PHE A 57 8.393 6.369 -0.059 1.00 0.27 C ATOM 965 CG PHE A 57 8.424 5.996 1.396 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.324 5.053 1.866 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.564 6.601 2.296 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.364 4.721 3.205 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.597 6.271 3.637 1.00 0.34 C ATOM 970 CZ PHE A 57 8.461 5.284 4.081 1.00 0.37 C ATOM 0 H PHE A 57 8.073 6.689 -2.482 1.00 0.27 H new ATOM 0 HA PHE A 57 8.354 4.386 -0.878 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.411 6.559 -0.399 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.839 7.301 -0.175 1.00 0.27 H new ATOM 0 HD1 PHE A 57 10.002 4.572 1.176 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.859 7.340 1.946 1.00 0.30 H new ATOM 0 HE1 PHE A 57 10.102 4.020 3.566 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.951 6.781 4.337 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.427 4.957 5.110 1.00 0.37 H new ATOM 980 N LYS A 58 5.378 5.537 -1.199 1.00 0.26 N ATOM 981 CA LYS A 58 3.986 5.396 -0.848 1.00 0.28 C ATOM 982 C LYS A 58 3.381 4.116 -1.439 1.00 0.26 C ATOM 983 O LYS A 58 2.548 3.470 -0.805 1.00 0.29 O ATOM 984 CB LYS A 58 3.259 6.661 -1.302 1.00 0.32 C ATOM 985 CG LYS A 58 1.793 6.475 -1.633 1.00 0.36 C ATOM 986 CD LYS A 58 1.079 7.815 -1.758 1.00 0.52 C ATOM 987 CE LYS A 58 1.634 8.648 -2.903 1.00 0.79 C ATOM 988 NZ LYS A 58 1.284 8.075 -4.230 1.00 1.41 N ATOM 0 H LYS A 58 5.541 6.093 -2.039 1.00 0.26 H new ATOM 0 HA LYS A 58 3.875 5.290 0.231 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.346 7.413 -0.518 1.00 0.32 H new ATOM 0 HB3 LYS A 58 3.767 7.058 -2.181 1.00 0.32 H new ATOM 0 HG2 LYS A 58 1.696 5.921 -2.567 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.316 5.877 -0.856 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.014 7.646 -1.915 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.179 8.368 -0.824 1.00 0.52 H new ATOM 0 HE2 LYS A 58 1.246 9.664 -2.833 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.718 8.714 -2.811 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 1.710 8.654 -4.981 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 1.647 7.102 -4.295 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 0.250 8.067 -4.343 1.00 1.41 H new ATOM 1002 N GLU A 59 3.816 3.734 -2.637 1.00 0.25 N ATOM 1003 CA GLU A 59 3.366 2.478 -3.241 1.00 0.24 C ATOM 1004 C GLU A 59 4.078 1.295 -2.602 1.00 0.23 C ATOM 1005 O GLU A 59 3.476 0.242 -2.381 1.00 0.25 O ATOM 1006 CB GLU A 59 3.573 2.481 -4.764 1.00 0.28 C ATOM 1007 CG GLU A 59 4.927 3.001 -5.208 1.00 0.32 C ATOM 1008 CD GLU A 59 5.121 2.942 -6.710 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.435 3.688 -7.439 1.00 0.54 O ATOM 1010 OE2 GLU A 59 5.983 2.165 -7.166 1.00 0.51 O ATOM 0 H GLU A 59 4.473 4.268 -3.206 1.00 0.25 H new ATOM 0 HA GLU A 59 2.296 2.382 -3.055 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.446 1.465 -5.138 1.00 0.28 H new ATOM 0 HB3 GLU A 59 2.794 3.090 -5.224 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.042 4.032 -4.873 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.710 2.419 -4.723 1.00 0.32 H new ATOM 1017 N ILE A 60 5.353 1.471 -2.284 1.00 0.23 N ATOM 1018 CA ILE A 60 6.108 0.428 -1.606 1.00 0.24 C ATOM 1019 C ILE A 60 5.615 0.279 -0.177 1.00 0.24 C ATOM 1020 O ILE A 60 5.590 -0.821 0.369 1.00 0.27 O ATOM 1021 CB ILE A 60 7.626 0.704 -1.627 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.967 1.967 -0.843 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.110 0.826 -3.063 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.428 2.347 -0.900 1.00 0.28 C ATOM 0 H ILE A 60 5.883 2.320 -2.483 1.00 0.23 H new ATOM 0 HA ILE A 60 5.944 -0.505 -2.145 1.00 0.24 H new ATOM 0 HB ILE A 60 8.133 -0.134 -1.148 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.371 2.794 -1.229 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.679 1.825 0.199 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.182 1.021 -3.070 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.906 -0.103 -3.596 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.589 1.648 -3.554 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.591 3.255 -0.319 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.031 1.538 -0.486 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.718 2.523 -1.936 1.00 0.28 H new ATOM 1036 N ASN A 61 5.191 1.401 0.395 1.00 0.24 N ATOM 1037 CA ASN A 61 4.572 1.428 1.713 1.00 0.28 C ATOM 1038 C ASN A 61 3.328 0.545 1.725 1.00 0.29 C ATOM 1039 O ASN A 61 2.982 -0.055 2.741 1.00 0.36 O ATOM 1040 CB ASN A 61 4.188 2.870 2.061 1.00 0.36 C ATOM 1041 CG ASN A 61 3.465 3.008 3.384 1.00 0.51 C ATOM 1042 OD1 ASN A 61 4.090 3.187 4.427 1.00 0.62 O ATOM 1043 ND2 ASN A 61 2.140 2.949 3.348 1.00 0.60 N ATOM 0 H ASN A 61 5.268 2.318 -0.044 1.00 0.24 H new ATOM 0 HA ASN A 61 5.279 1.049 2.451 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.091 3.481 2.086 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.555 3.269 1.268 1.00 0.36 H new ATOM 0 HD21 ASN A 61 1.601 3.054 4.208 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.660 2.799 2.461 1.00 0.60 H new ATOM 1050 N ASN A 62 2.681 0.474 0.568 1.00 0.25 N ATOM 1051 CA ASN A 62 1.429 -0.249 0.409 1.00 0.27 C ATOM 1052 C ASN A 62 1.650 -1.754 0.369 1.00 0.22 C ATOM 1053 O ASN A 62 1.128 -2.482 1.199 1.00 0.20 O ATOM 1054 CB ASN A 62 0.752 0.170 -0.890 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.675 -0.306 -0.983 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.593 0.417 -0.637 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.863 -1.531 -1.450 1.00 0.21 N ATOM 0 H ASN A 62 3.013 0.918 -0.288 1.00 0.25 H new ATOM 0 HA ASN A 62 0.802 -0.007 1.267 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.774 1.257 -0.972 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.318 -0.225 -1.734 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.808 -1.906 -1.532 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.063 -2.099 -1.727 1.00 0.21 H new ATOM 1064 N ALA A 63 2.439 -2.209 -0.609 1.00 0.20 N ATOM 1065 CA ALA A 63 2.588 -3.640 -0.889 1.00 0.18 C ATOM 1066 C ALA A 63 3.130 -4.416 0.316 1.00 0.14 C ATOM 1067 O ALA A 63 3.043 -5.641 0.365 1.00 0.14 O ATOM 1068 CB ALA A 63 3.499 -3.834 -2.088 1.00 0.19 C ATOM 0 H ALA A 63 2.986 -1.604 -1.222 1.00 0.20 H new ATOM 0 HA ALA A 63 1.597 -4.038 -1.107 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.608 -4.899 -2.294 1.00 0.19 H new ATOM 0 HB2 ALA A 63 3.067 -3.339 -2.957 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.478 -3.404 -1.875 1.00 0.19 H new ATOM 1074 N HIS A 64 3.670 -3.676 1.275 1.00 0.13 N ATOM 1075 CA HIS A 64 4.288 -4.217 2.485 1.00 0.11 C ATOM 1076 C HIS A 64 3.517 -5.396 3.101 1.00 0.13 C ATOM 1077 O HIS A 64 4.077 -6.476 3.269 1.00 0.20 O ATOM 1078 CB HIS A 64 4.446 -3.060 3.486 1.00 0.15 C ATOM 1079 CG HIS A 64 4.509 -3.442 4.935 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.486 -3.179 5.813 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.484 -4.028 5.664 1.00 1.02 C ATOM 1082 CE1 HIS A 64 3.825 -3.582 7.017 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.034 -4.101 6.957 1.00 0.96 N ATOM 0 H HIS A 64 3.693 -2.657 1.235 1.00 0.13 H new ATOM 0 HA HIS A 64 5.258 -4.637 2.220 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.355 -2.513 3.236 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.612 -2.372 3.349 1.00 0.15 H new ATOM 0 HD1 HIS A 64 2.599 -2.738 5.568 1.00 1.02 H new ATOM 0 HD2 HIS A 64 6.439 -4.374 5.297 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.216 -3.501 7.905 1.00 1.00 H new ATOM 1092 N ALA A 65 2.261 -5.191 3.464 1.00 0.14 N ATOM 1093 CA ALA A 65 1.498 -6.235 4.140 1.00 0.17 C ATOM 1094 C ALA A 65 0.726 -7.126 3.171 1.00 0.13 C ATOM 1095 O ALA A 65 0.635 -8.333 3.376 1.00 0.14 O ATOM 1096 CB ALA A 65 0.543 -5.622 5.151 1.00 0.25 C ATOM 0 H ALA A 65 1.750 -4.322 3.306 1.00 0.14 H new ATOM 0 HA ALA A 65 2.222 -6.868 4.653 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.019 -6.413 5.647 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.110 -5.060 5.893 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.148 -4.952 4.639 1.00 0.25 H new ATOM 1102 N ILE A 66 0.212 -6.530 2.102 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.795 -7.173 1.243 1.00 0.12 C ATOM 1104 C ILE A 66 -0.351 -8.529 0.706 1.00 0.13 C ATOM 1105 O ILE A 66 -1.173 -9.414 0.473 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.147 -6.311 0.018 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.646 -4.874 0.174 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.649 -6.337 -0.211 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.371 -4.067 1.216 1.00 0.14 C ATOM 0 H ILE A 66 0.475 -5.592 1.801 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.659 -7.298 1.896 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.644 -6.732 -0.852 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.414 -4.898 0.425 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.735 -4.366 -0.786 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.895 -5.726 -1.079 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.973 -7.363 -0.386 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.158 -5.941 0.668 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -0.949 -3.063 1.257 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.428 -4.006 0.958 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.262 -4.546 2.189 1.00 0.14 H new ATOM 1121 N LEU A 67 0.940 -8.669 0.477 1.00 0.12 N ATOM 1122 CA LEU A 67 1.488 -9.852 -0.171 1.00 0.14 C ATOM 1123 C LEU A 67 1.284 -11.100 0.670 1.00 0.16 C ATOM 1124 O LEU A 67 1.020 -12.182 0.149 1.00 0.21 O ATOM 1125 CB LEU A 67 2.974 -9.642 -0.410 1.00 0.15 C ATOM 1126 CG LEU A 67 3.340 -8.259 -0.934 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.818 -8.182 -1.248 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.501 -7.915 -2.152 1.00 0.16 C ATOM 0 H LEU A 67 1.639 -7.971 0.732 1.00 0.12 H new ATOM 0 HA LEU A 67 0.964 -9.997 -1.116 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.508 -9.816 0.524 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.324 -10.390 -1.121 1.00 0.15 H new ATOM 0 HG LEU A 67 3.125 -7.524 -0.158 1.00 0.14 H new ATOM 0 HD11 LEU A 67 5.059 -7.187 -1.621 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.393 -8.380 -0.343 1.00 0.16 H new ATOM 0 HD13 LEU A 67 5.068 -8.924 -2.006 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.775 -6.924 -2.514 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.680 -8.650 -2.937 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.445 -7.923 -1.881 1.00 0.16 H new ATOM 1140 N THR A 68 1.414 -10.941 1.968 1.00 0.15 N ATOM 1141 CA THR A 68 1.353 -12.062 2.884 1.00 0.18 C ATOM 1142 C THR A 68 0.121 -11.979 3.789 1.00 0.18 C ATOM 1143 O THR A 68 -0.343 -12.992 4.317 1.00 0.23 O ATOM 1144 CB THR A 68 2.646 -12.116 3.727 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.567 -13.123 4.746 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.920 -10.759 4.353 1.00 0.20 C ATOM 0 H THR A 68 1.564 -10.038 2.418 1.00 0.15 H new ATOM 0 HA THR A 68 1.267 -12.979 2.300 1.00 0.18 H new ATOM 0 HB THR A 68 3.468 -12.377 3.061 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.429 -13.583 4.819 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.834 -10.809 4.945 1.00 0.20 H new ATOM 0 HG22 THR A 68 3.037 -10.013 3.567 1.00 0.20 H new ATOM 0 HG23 THR A 68 2.086 -10.480 4.997 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.428 -10.780 3.943 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.566 -10.577 4.829 1.00 0.19 C ATOM 1156 C ASP A 69 -2.877 -10.767 4.085 1.00 0.17 C ATOM 1157 O ASP A 69 -3.161 -10.062 3.113 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.537 -9.184 5.449 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.506 -9.062 6.603 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.700 -8.815 6.358 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -2.073 -9.213 7.765 1.00 0.58 O ATOM 0 H ASP A 69 -0.105 -9.937 3.468 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.494 -11.321 5.622 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.528 -8.962 5.797 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.782 -8.443 4.689 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.678 -11.709 4.557 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.949 -12.030 3.923 1.00 0.21 C ATOM 1168 C ALA A 70 -5.955 -10.908 4.079 1.00 0.18 C ATOM 1169 O ALA A 70 -6.820 -10.731 3.228 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.511 -13.319 4.489 1.00 0.27 C ATOM 0 H ALA A 70 -3.469 -12.269 5.383 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.760 -12.159 2.857 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.461 -13.545 4.005 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.809 -14.133 4.308 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.668 -13.207 5.562 1.00 0.27 H new ATOM 1176 N THR A 71 -5.845 -10.144 5.150 1.00 0.17 N ATOM 1177 CA THR A 71 -6.763 -9.045 5.376 1.00 0.17 C ATOM 1178 C THR A 71 -6.528 -7.942 4.355 1.00 0.14 C ATOM 1179 O THR A 71 -7.450 -7.516 3.668 1.00 0.15 O ATOM 1180 CB THR A 71 -6.621 -8.465 6.786 1.00 0.20 C ATOM 1181 OG1 THR A 71 -6.767 -9.502 7.767 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.661 -7.384 7.005 1.00 0.21 C ATOM 0 H THR A 71 -5.134 -10.263 5.872 1.00 0.17 H new ATOM 0 HA THR A 71 -7.773 -9.441 5.268 1.00 0.17 H new ATOM 0 HB THR A 71 -5.628 -8.027 6.891 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.673 -9.119 8.664 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.555 -6.975 8.010 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.519 -6.589 6.273 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.658 -7.809 6.890 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.288 -7.490 4.242 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.940 -6.478 3.271 1.00 0.13 C ATOM 1192 C LYS A 72 -5.222 -6.977 1.864 1.00 0.12 C ATOM 1193 O LYS A 72 -5.684 -6.227 1.019 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.474 -6.067 3.413 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.201 -5.136 4.587 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.298 -5.841 5.932 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.215 -4.852 7.085 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.132 -5.524 8.408 1.00 0.71 N ATOM 0 H LYS A 72 -4.508 -7.813 4.815 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.556 -5.598 3.458 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.865 -6.964 3.525 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.154 -5.578 2.493 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.206 -4.704 4.479 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.911 -4.310 4.563 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.237 -6.391 5.989 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.495 -6.573 6.020 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.341 -4.214 6.950 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -4.090 -4.202 7.066 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -3.077 -4.807 9.159 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -3.977 -6.112 8.552 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.283 -6.124 8.440 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.972 -8.254 1.617 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.235 -8.833 0.305 1.00 0.15 C ATOM 1214 C ARG A 73 -6.733 -8.892 0.048 1.00 0.16 C ATOM 1215 O ARG A 73 -7.185 -8.893 -1.095 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.638 -10.225 0.216 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.278 -10.643 -1.197 1.00 0.38 C ATOM 1218 CD ARG A 73 -3.391 -9.608 -1.881 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.895 -10.087 -3.168 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.605 -10.186 -3.472 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.683 -9.851 -2.581 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.234 -10.634 -4.662 1.00 0.97 N ATOM 0 H ARG A 73 -4.590 -8.907 2.301 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.771 -8.202 -0.453 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.744 -10.268 0.837 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.347 -10.942 0.628 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -3.764 -11.604 -1.173 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.189 -10.783 -1.779 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -3.954 -8.687 -2.028 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.548 -9.366 -1.233 1.00 0.47 H new ATOM 0 HE ARG A 73 -3.578 -10.361 -3.874 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -0.963 -9.516 -1.659 1.00 1.45 H new ATOM 0 HH12 ARG A 73 0.306 -9.928 -2.817 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -1.939 -10.904 -5.348 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -0.243 -10.709 -4.893 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.490 -8.930 1.129 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.939 -8.905 1.058 1.00 0.18 C ATOM 1238 C ASN A 74 -9.422 -7.518 0.670 1.00 0.17 C ATOM 1239 O ASN A 74 -10.429 -7.363 -0.022 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.521 -9.327 2.403 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.127 -10.707 2.379 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -11.288 -10.889 2.012 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -9.352 -11.688 2.791 1.00 0.43 N ATOM 0 H ASN A 74 -7.119 -8.979 2.078 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.277 -9.605 0.294 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.736 -9.295 3.158 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.282 -8.608 2.704 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -9.708 -12.644 2.815 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -8.395 -11.493 3.086 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.690 -6.509 1.115 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.948 -5.141 0.704 1.00 0.13 C ATOM 1252 C ILE A 75 -8.405 -4.919 -0.700 1.00 0.14 C ATOM 1253 O ILE A 75 -9.023 -4.243 -1.504 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.331 -4.105 1.691 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.216 -3.944 2.932 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.119 -2.745 1.018 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.324 -5.187 3.788 1.00 0.20 C ATOM 0 H ILE A 75 -7.910 -6.614 1.763 1.00 0.13 H new ATOM 0 HA ILE A 75 -10.027 -4.988 0.711 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.357 -4.487 1.998 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.822 -3.131 3.542 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.216 -3.648 2.614 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.687 -2.047 1.736 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.442 -2.860 0.171 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.076 -2.359 0.668 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.968 -4.985 4.644 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.749 -5.999 3.198 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.333 -5.474 4.140 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.263 -5.539 -0.976 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.576 -5.454 -2.266 1.00 0.18 C ATOM 1271 C TYR A 76 -7.534 -5.553 -3.451 1.00 0.19 C ATOM 1272 O TYR A 76 -7.498 -4.722 -4.359 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.536 -6.578 -2.334 1.00 0.21 C ATOM 1274 CG TYR A 76 -4.985 -6.872 -3.712 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -3.878 -6.186 -4.201 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.582 -7.810 -4.532 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -3.383 -6.435 -5.465 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.095 -8.061 -5.797 1.00 0.36 C ATOM 1279 CZ TYR A 76 -3.948 -7.450 -6.223 1.00 0.41 C ATOM 1280 OH TYR A 76 -3.514 -7.625 -7.526 1.00 0.52 O ATOM 0 H TYR A 76 -6.777 -6.127 -0.299 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.099 -4.477 -2.335 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.705 -6.321 -1.677 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.985 -7.489 -1.939 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -3.397 -5.445 -3.580 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.444 -8.355 -4.176 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -2.567 -5.847 -5.859 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.620 -8.741 -6.452 1.00 0.36 H new ATOM 0 HH TYR A 76 -3.998 -8.373 -7.934 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.385 -6.568 -3.438 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.292 -6.809 -4.563 1.00 0.22 C ATOM 1292 C ASP A 77 -10.450 -5.811 -4.603 1.00 0.22 C ATOM 1293 O ASP A 77 -11.208 -5.783 -5.572 1.00 0.30 O ATOM 1294 CB ASP A 77 -9.852 -8.232 -4.525 1.00 0.31 C ATOM 1295 CG ASP A 77 -8.800 -9.286 -4.792 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -8.418 -9.462 -5.967 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -8.338 -9.935 -3.828 1.00 1.74 O ATOM 0 H ASP A 77 -8.471 -7.235 -2.671 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.698 -6.676 -5.467 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -10.302 -8.414 -3.549 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.647 -8.324 -5.265 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.590 -4.997 -3.564 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.668 -4.024 -3.496 1.00 0.21 C ATOM 1304 C LYS A 78 -11.101 -2.619 -3.622 1.00 0.20 C ATOM 1305 O LYS A 78 -11.460 -1.853 -4.518 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.412 -4.159 -2.169 1.00 0.22 C ATOM 1307 CG LYS A 78 -12.994 -5.541 -1.925 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.713 -5.606 -0.590 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.902 -4.658 -0.553 1.00 1.31 C ATOM 1310 NZ LYS A 78 -15.599 -4.686 0.759 1.00 1.92 N ATOM 0 H LYS A 78 -9.968 -4.993 -2.756 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.363 -4.208 -4.315 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.730 -3.914 -1.355 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.218 -3.426 -2.140 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.688 -5.793 -2.727 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.196 -6.284 -1.948 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -14.053 -6.625 -0.407 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -13.019 -5.353 0.211 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -14.563 -3.643 -0.761 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -15.604 -4.927 -1.342 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -16.402 -4.026 0.740 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -15.946 -5.648 0.947 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -14.937 -4.404 1.510 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.217 -2.299 -2.695 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.505 -1.042 -2.687 1.00 0.19 C ATOM 1326 C TYR A 79 -8.038 -1.315 -2.987 1.00 0.21 C ATOM 1327 O TYR A 79 -7.391 -2.058 -2.251 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.609 -0.365 -1.317 1.00 0.23 C ATOM 1329 CG TYR A 79 -10.962 -0.472 -0.646 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.276 -1.542 0.181 1.00 0.50 C ATOM 1331 CD2 TYR A 79 -11.937 0.494 -0.864 1.00 0.60 C ATOM 1332 CE1 TYR A 79 -12.523 -1.644 0.770 1.00 0.65 C ATOM 1333 CE2 TYR A 79 -13.180 0.400 -0.276 1.00 0.75 C ATOM 1334 CZ TYR A 79 -13.423 -0.667 0.632 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.715 -0.767 1.115 1.00 0.88 O ATOM 0 H TYR A 79 -9.973 -2.914 -1.919 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.942 -0.383 -3.437 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -8.859 -0.800 -0.657 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.360 0.690 -1.431 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -10.536 -2.306 0.367 1.00 0.50 H new ATOM 0 HD2 TYR A 79 -11.717 1.334 -1.506 1.00 0.60 H new ATOM 0 HE1 TYR A 79 -12.771 -2.522 1.347 1.00 0.65 H new ATOM 0 HE2 TYR A 79 -13.952 1.121 -0.500 1.00 0.75 H new ATOM 0 HH TYR A 79 -15.206 0.056 0.909 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.516 -0.747 -4.061 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.102 -0.888 -4.341 1.00 0.25 C ATOM 1347 C GLY A 80 -5.247 -0.087 -3.375 1.00 0.20 C ATOM 1348 O GLY A 80 -5.455 -0.121 -2.163 1.00 0.22 O ATOM 0 H GLY A 80 -8.040 -0.195 -4.740 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.824 -1.940 -4.283 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.900 -0.560 -5.361 1.00 0.25 H new ATOM 1352 N SER A 81 -4.311 0.665 -3.925 1.00 0.23 N ATOM 1353 CA SER A 81 -3.338 1.411 -3.141 1.00 0.25 C ATOM 1354 C SER A 81 -3.974 2.281 -2.042 1.00 0.23 C ATOM 1355 O SER A 81 -3.418 2.395 -0.969 1.00 0.25 O ATOM 1356 CB SER A 81 -2.502 2.273 -4.086 1.00 0.34 C ATOM 1357 OG SER A 81 -1.963 1.483 -5.135 1.00 0.41 O ATOM 0 H SER A 81 -4.202 0.777 -4.933 1.00 0.23 H new ATOM 0 HA SER A 81 -2.710 0.687 -2.621 1.00 0.25 H new ATOM 0 HB2 SER A 81 -3.119 3.069 -4.503 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.695 2.752 -3.532 1.00 0.34 H new ATOM 0 HG SER A 81 -1.432 2.050 -5.732 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.123 2.908 -2.297 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.733 3.773 -1.277 1.00 0.25 C ATOM 1365 C LEU A 82 -6.196 2.993 -0.064 1.00 0.22 C ATOM 1366 O LEU A 82 -5.713 3.227 1.041 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.913 4.585 -1.809 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.604 5.419 -0.726 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.617 6.367 -0.088 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.776 6.199 -1.278 1.00 0.69 C ATOM 0 H LEU A 82 -5.641 2.840 -3.173 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.937 4.459 -0.988 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.563 5.247 -2.601 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.640 3.908 -2.257 1.00 0.29 H new ATOM 0 HG LEU A 82 -7.985 4.727 0.025 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.121 6.954 0.680 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.806 5.797 0.365 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.211 7.035 -0.848 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.238 6.777 -0.477 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.428 6.875 -2.059 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.508 5.508 -1.696 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.143 2.085 -0.267 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.683 1.340 0.841 1.00 0.23 C ATOM 1384 C GLY A 83 -6.600 0.613 1.583 1.00 0.21 C ATOM 1385 O GLY A 83 -6.670 0.460 2.791 1.00 0.23 O ATOM 0 H GLY A 83 -7.542 1.856 -1.177 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.202 2.017 1.520 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.421 0.626 0.477 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.578 0.207 0.854 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.446 -0.477 1.445 1.00 0.20 C ATOM 1391 C LEU A 84 -3.507 0.498 2.156 1.00 0.21 C ATOM 1392 O LEU A 84 -3.046 0.213 3.249 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.710 -1.264 0.373 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.500 -2.429 -0.208 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.726 -3.090 -1.335 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.818 -3.425 0.890 1.00 0.30 C ATOM 0 H LEU A 84 -5.510 0.341 -0.155 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.816 -1.168 2.202 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.439 -0.586 -0.436 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.780 -1.646 0.794 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.436 -2.055 -0.624 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.307 -3.920 -1.737 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.539 -2.362 -2.124 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.776 -3.463 -0.954 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.383 -4.258 0.473 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.890 -3.797 1.324 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.410 -2.936 1.664 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.251 1.653 1.554 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.417 2.688 2.172 1.00 0.23 C ATOM 1410 C TYR A 85 -2.863 2.971 3.601 1.00 0.24 C ATOM 1411 O TYR A 85 -2.042 3.151 4.500 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.464 3.967 1.310 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.669 5.260 2.072 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -3.945 5.744 2.332 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.580 5.987 2.543 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -4.130 6.917 3.039 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -1.759 7.161 3.248 1.00 0.45 C ATOM 1418 CZ TYR A 85 -3.056 7.645 3.449 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.220 8.789 4.201 1.00 0.52 O ATOM 0 H TYR A 85 -3.610 1.902 0.632 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.388 2.332 2.221 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.533 4.040 0.749 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.268 3.864 0.581 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.805 5.196 1.976 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.579 5.628 2.354 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -5.130 7.257 3.267 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -0.908 7.699 3.639 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.343 9.176 4.403 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.164 2.996 3.802 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.716 3.237 5.120 1.00 0.25 C ATOM 1431 C VAL A 86 -4.931 1.928 5.902 1.00 0.24 C ATOM 1432 O VAL A 86 -4.683 1.871 7.109 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.024 4.065 5.017 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.904 3.564 3.881 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.792 4.061 6.328 1.00 0.32 C ATOM 0 H VAL A 86 -4.860 2.852 3.070 1.00 0.23 H new ATOM 0 HA VAL A 86 -3.989 3.820 5.685 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.738 5.094 4.800 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.813 4.163 3.834 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.364 3.649 2.938 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.166 2.521 4.057 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.702 4.651 6.218 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.053 3.037 6.594 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.172 4.493 7.114 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.343 0.862 5.220 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.682 -0.389 5.906 1.00 0.24 C ATOM 1447 C ALA A 87 -4.463 -1.253 6.200 1.00 0.22 C ATOM 1448 O ALA A 87 -4.432 -1.949 7.206 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.684 -1.199 5.109 1.00 0.25 C ATOM 0 H ALA A 87 -5.450 0.835 4.206 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.122 -0.093 6.858 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.915 -2.120 5.644 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.597 -0.619 4.975 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.262 -1.442 4.134 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.472 -1.228 5.331 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.299 -2.070 5.510 1.00 0.21 C ATOM 1457 C GLU A 88 -1.450 -1.522 6.647 1.00 0.20 C ATOM 1458 O GLU A 88 -0.777 -2.269 7.359 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.504 -2.178 4.192 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.352 -1.194 4.034 1.00 0.25 C ATOM 1461 CD GLU A 88 0.930 -1.718 4.644 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.403 -2.779 4.204 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.451 -1.098 5.590 1.00 1.24 O ATOM 0 H GLU A 88 -3.452 -0.639 4.498 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.610 -3.080 5.777 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.107 -3.190 4.110 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.194 -2.038 3.360 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.193 -0.990 2.975 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.617 -0.247 4.505 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.526 -0.215 6.825 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.765 0.469 7.848 1.00 0.24 C ATOM 1472 C GLN A 89 -1.449 0.387 9.211 1.00 0.29 C ATOM 1473 O GLN A 89 -0.803 0.103 10.219 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.551 1.925 7.428 1.00 0.25 C ATOM 1475 CG GLN A 89 0.551 2.092 6.397 1.00 0.27 C ATOM 1476 CD GLN A 89 1.933 1.861 6.979 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.191 2.164 8.147 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.824 1.293 6.186 1.00 0.38 N ATOM 0 H GLN A 89 -2.117 0.399 6.264 1.00 0.22 H new ATOM 0 HA GLN A 89 0.202 -0.024 7.951 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.482 2.321 7.023 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.309 2.519 8.309 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.385 1.394 5.576 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.501 3.096 5.976 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.575 1.056 5.226 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.761 1.091 6.534 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.757 0.611 9.245 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.483 0.667 10.513 1.00 0.34 C ATOM 1489 C PHE A 90 -4.458 -0.493 10.687 1.00 0.37 C ATOM 1490 O PHE A 90 -4.602 -1.029 11.786 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.248 1.981 10.620 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.367 3.189 10.740 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.671 3.436 11.912 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -3.235 4.075 9.686 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.859 4.546 12.030 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -2.424 5.187 9.799 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.739 5.427 10.954 1.00 0.62 C ATOM 0 H PHE A 90 -3.335 0.756 8.417 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.736 0.594 11.304 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.883 2.093 9.741 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.907 1.937 11.487 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.765 2.752 12.743 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.771 3.895 8.766 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.321 4.731 12.948 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -2.332 5.871 8.968 1.00 0.53 H new ATOM 0 HZ PHE A 90 -1.105 6.297 11.036 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.143 -0.860 9.616 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.147 -1.900 9.698 1.00 0.41 C ATOM 1509 C GLY A 91 -7.496 -1.414 9.226 1.00 0.43 C ATOM 1510 O GLY A 91 -8.082 -0.512 9.831 1.00 0.51 O ATOM 0 H GLY A 91 -5.021 -0.455 8.688 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -5.837 -2.753 9.095 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.226 -2.249 10.728 1.00 0.41 H new ATOM 1514 N GLU A 92 -7.990 -2.026 8.156 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.236 -1.616 7.503 1.00 0.47 C ATOM 1516 C GLU A 92 -10.377 -1.513 8.501 1.00 0.54 C ATOM 1517 O GLU A 92 -11.215 -0.615 8.406 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.566 -2.612 6.384 1.00 0.50 C ATOM 1519 CG GLU A 92 -10.790 -2.265 5.542 1.00 0.92 C ATOM 1520 CD GLU A 92 -12.093 -2.774 6.132 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -12.187 -3.982 6.433 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -13.026 -1.962 6.305 1.00 2.23 O ATOM 0 H GLU A 92 -7.538 -2.825 7.712 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.103 -0.623 7.073 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.702 -2.691 5.724 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -9.718 -3.595 6.829 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -10.849 -1.182 5.430 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -10.665 -2.683 4.543 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.368 -2.404 9.471 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.399 -2.453 10.488 1.00 0.66 C ATOM 1531 C GLU A 93 -11.581 -1.113 11.202 1.00 0.68 C ATOM 1532 O GLU A 93 -12.707 -0.689 11.455 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.050 -3.530 11.518 1.00 0.70 C ATOM 1534 CG GLU A 93 -9.588 -3.493 11.942 1.00 0.68 C ATOM 1535 CD GLU A 93 -8.745 -4.516 11.213 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -8.570 -4.383 9.987 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -8.255 -5.462 11.862 1.00 1.33 O ATOM 0 H GLU A 93 -9.645 -3.116 9.577 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.338 -2.689 9.987 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -11.681 -3.403 12.397 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.278 -4.511 11.101 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.185 -2.497 11.757 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -9.520 -3.670 13.015 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.479 -0.446 11.519 1.00 0.61 N ATOM 1545 CA ASN A 94 -10.549 0.721 12.387 1.00 0.64 C ATOM 1546 C ASN A 94 -10.471 2.036 11.611 1.00 0.65 C ATOM 1547 O ASN A 94 -11.246 2.954 11.857 1.00 0.81 O ATOM 1548 CB ASN A 94 -9.464 0.641 13.481 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.202 1.401 13.173 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -8.068 2.579 13.507 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.257 0.727 12.551 1.00 0.70 N ATOM 0 H ASN A 94 -9.542 -0.687 11.195 1.00 0.61 H new ATOM 0 HA ASN A 94 -11.527 0.713 12.868 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -9.881 1.019 14.415 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -9.210 -0.406 13.646 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -6.371 1.180 12.327 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -7.411 -0.248 12.293 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.551 2.124 10.667 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.312 3.383 9.971 1.00 0.58 C ATOM 1560 C VAL A 95 -10.163 3.523 8.719 1.00 0.62 C ATOM 1561 O VAL A 95 -10.698 4.593 8.445 1.00 0.76 O ATOM 1562 CB VAL A 95 -7.833 3.548 9.599 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.039 4.054 10.790 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.274 2.228 9.106 1.00 0.49 C ATOM 0 H VAL A 95 -8.961 1.349 10.364 1.00 0.54 H new ATOM 0 HA VAL A 95 -9.597 4.170 10.669 1.00 0.58 H new ATOM 0 HB VAL A 95 -7.750 4.284 8.799 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -5.992 4.165 10.508 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -7.434 5.019 11.107 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.120 3.341 11.611 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.223 2.353 8.844 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.365 1.478 9.892 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.831 1.902 8.227 1.00 0.49 H new