USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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 88 ASN : amide:sc= 3.3 K(o=4.4,f=-4.1!) USER MOD Set 1.2: A 90 THR OG1 : rot -5:sc= 1.12 USER MOD Set 2.1: A 14 MET CE :methyl 140:sc= -0.364 (180deg=-0.355) USER MOD Set 2.2: A 41 CYS SG : rot 56:sc= 2.59 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -82:sc= 0.149 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.0027) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.104 K(o=0.1,f=-8.3!) USER MOD Single : A 44 TYR OH : rot -84:sc= 0.0721 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0.515 (180deg=0.468) USER MOD Single : A 46 SER OG : rot 46:sc= 0.0246 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -14:sc= 0.979 USER MOD Single : A 53 LYS NZ :NH3+ 178:sc= 0.781 (180deg=0.778) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= -0.0173 (180deg=-0.183) USER MOD Single : A 61 ASN : amide:sc= -0.136 K(o=-0.14,f=-8.5!) USER MOD Single : A 62 THR OG1 : rot -29:sc= 0.704 USER MOD Single : A 63 SER OG : rot 160:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -5:sc= 0.447 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= -0.166 (180deg=-0.166) USER MOD Single : A 79 ASN : amide:sc= -3.36! C(o=-3.4!,f=-2.3!) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= 0.881 (180deg=-0.0684) USER MOD Single : A 86 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.83) USER MOD Single : A 91 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.0019) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -8:sc= 0.44 USER MOD Single : A 99 CYS SG : rot 18:sc= -0.134 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 156:sc= 0.659 (180deg=0.133) USER MOD Single : A 113 GLN : amide:sc= 0.975 K(o=0.98,f=-0.18) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0.983 K(o=0.98,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -3.418 12.604 -2.049 1.00 43.11 N ATOM 165 CA MET A 14 -2.442 12.191 -1.041 1.00 43.43 C ATOM 166 C MET A 14 -1.036 12.316 -1.639 1.00 42.42 C ATOM 167 O MET A 14 -0.682 11.618 -2.592 1.00 65.45 O ATOM 168 CB MET A 14 -2.696 10.781 -0.454 1.00 30.24 C ATOM 169 CG MET A 14 -4.176 10.452 -0.264 1.00 30.14 C ATOM 170 SD MET A 14 -4.610 8.858 0.487 1.00 30.12 S ATOM 171 CE MET A 14 -3.632 8.874 2.003 1.00 30.41 C ATOM 0 HA MET A 14 -2.547 12.859 -0.186 1.00 43.43 H new ATOM 0 HB2 MET A 14 -2.249 10.037 -1.113 1.00 30.24 H new ATOM 0 HB3 MET A 14 -2.189 10.701 0.507 1.00 30.24 H new ATOM 0 HG2 MET A 14 -4.616 11.239 0.348 1.00 30.14 H new ATOM 0 HG3 MET A 14 -4.656 10.502 -1.241 1.00 30.14 H new ATOM 0 HE1 MET A 14 -4.220 8.456 2.820 1.00 30.41 H new ATOM 0 HE2 MET A 14 -2.731 8.276 1.861 1.00 30.41 H new ATOM 0 HE3 MET A 14 -3.353 9.899 2.245 1.00 30.41 H new ATOM 181 N LYS A 15 -0.238 13.220 -1.078 1.00 61.31 N ATOM 182 CA LYS A 15 1.146 13.526 -1.411 1.00 53.12 C ATOM 183 C LYS A 15 2.019 13.032 -0.276 1.00 74.55 C ATOM 184 O LYS A 15 2.195 13.687 0.760 1.00 53.03 O ATOM 185 CB LYS A 15 1.311 15.027 -1.574 1.00 45.11 C ATOM 186 CG LYS A 15 0.599 15.558 -2.814 1.00 13.14 C ATOM 187 CD LYS A 15 0.536 17.092 -2.766 1.00 74.41 C ATOM 188 CE LYS A 15 -0.437 17.561 -1.675 1.00 63.53 C ATOM 189 NZ LYS A 15 -0.336 19.003 -1.380 1.00 22.43 N ATOM 0 H LYS A 15 -0.574 13.806 -0.314 1.00 61.31 H new ATOM 0 HA LYS A 15 1.431 13.041 -2.345 1.00 53.12 H new ATOM 0 HB2 LYS A 15 0.920 15.531 -0.690 1.00 45.11 H new ATOM 0 HB3 LYS A 15 2.372 15.269 -1.636 1.00 45.11 H new ATOM 0 HG2 LYS A 15 1.126 15.235 -3.712 1.00 13.14 H new ATOM 0 HG3 LYS A 15 -0.409 15.146 -2.870 1.00 13.14 H new ATOM 0 HD2 LYS A 15 1.530 17.496 -2.572 1.00 74.41 H new ATOM 0 HD3 LYS A 15 0.218 17.478 -3.734 1.00 74.41 H new ATOM 0 HE2 LYS A 15 -1.457 17.332 -1.985 1.00 63.53 H new ATOM 0 HE3 LYS A 15 -0.247 16.997 -0.762 1.00 63.53 H new ATOM 0 HZ1 LYS A 15 -1.018 19.254 -0.636 1.00 22.43 H new ATOM 0 HZ2 LYS A 15 0.627 19.224 -1.055 1.00 22.43 H new ATOM 0 HZ3 LYS A 15 -0.545 19.549 -2.240 1.00 22.43 H new ATOM 203 N TRP A 16 2.551 11.848 -0.489 1.00 1.34 N ATOM 204 CA TRP A 16 3.524 11.213 0.386 1.00 12.13 C ATOM 205 C TRP A 16 4.864 11.959 0.212 1.00 50.24 C ATOM 206 O TRP A 16 5.055 12.659 -0.788 1.00 72.23 O ATOM 207 CB TRP A 16 3.617 9.742 -0.044 1.00 34.23 C ATOM 208 CG TRP A 16 2.307 9.001 -0.140 1.00 44.31 C ATOM 209 CD1 TRP A 16 1.473 9.044 -1.201 1.00 54.03 C ATOM 210 CD2 TRP A 16 1.657 8.108 0.814 1.00 2.42 C ATOM 211 NE1 TRP A 16 0.337 8.307 -0.952 1.00 45.22 N ATOM 212 CE2 TRP A 16 0.409 7.679 0.271 1.00 72.33 C ATOM 213 CE3 TRP A 16 2.001 7.612 2.085 1.00 1.42 C ATOM 214 CZ2 TRP A 16 -0.444 6.798 0.951 1.00 34.13 C ATOM 215 CZ3 TRP A 16 1.145 6.747 2.791 1.00 21.42 C ATOM 216 CH2 TRP A 16 -0.074 6.333 2.224 1.00 44.14 C ATOM 0 H TRP A 16 2.313 11.279 -1.301 1.00 1.34 H new ATOM 0 HA TRP A 16 3.249 11.253 1.440 1.00 12.13 H new ATOM 0 HB2 TRP A 16 4.110 9.698 -1.015 1.00 34.23 H new ATOM 0 HB3 TRP A 16 4.259 9.216 0.663 1.00 34.23 H new ATOM 0 HD1 TRP A 16 1.670 9.581 -2.117 1.00 54.03 H new ATOM 0 HE1 TRP A 16 -0.455 8.236 -1.591 1.00 45.22 H new ATOM 0 HE3 TRP A 16 2.942 7.902 2.528 1.00 1.42 H new ATOM 0 HZ2 TRP A 16 -1.374 6.481 0.502 1.00 34.13 H new ATOM 0 HZ3 TRP A 16 1.425 6.399 3.774 1.00 21.42 H new ATOM 0 HH2 TRP A 16 -0.723 5.660 2.765 1.00 44.14 H new ATOM 227 N SER A 17 5.800 11.802 1.149 1.00 73.11 N ATOM 228 CA SER A 17 7.202 12.238 0.997 1.00 51.42 C ATOM 229 C SER A 17 8.269 11.180 1.308 1.00 64.40 C ATOM 230 O SER A 17 9.449 11.529 1.315 1.00 52.12 O ATOM 231 CB SER A 17 7.471 13.498 1.832 1.00 45.34 C ATOM 232 OG SER A 17 6.868 14.622 1.228 1.00 2.00 O ATOM 0 H SER A 17 5.610 11.363 2.050 1.00 73.11 H new ATOM 0 HA SER A 17 7.301 12.444 -0.069 1.00 51.42 H new ATOM 0 HB2 SER A 17 7.080 13.365 2.841 1.00 45.34 H new ATOM 0 HB3 SER A 17 8.545 13.659 1.925 1.00 45.34 H new ATOM 0 HG SER A 17 7.045 15.419 1.770 1.00 2.00 H new ATOM 238 N LYS A 18 7.930 9.926 1.639 1.00 21.53 N ATOM 239 CA LYS A 18 8.961 8.907 2.004 1.00 25.52 C ATOM 240 C LYS A 18 8.854 7.615 1.216 1.00 22.34 C ATOM 241 O LYS A 18 9.283 6.555 1.672 1.00 24.23 O ATOM 242 CB LYS A 18 9.016 8.660 3.514 1.00 21.34 C ATOM 243 CG LYS A 18 9.491 9.935 4.212 1.00 54.33 C ATOM 244 CD LYS A 18 10.973 10.311 4.031 1.00 65.11 C ATOM 245 CE LYS A 18 11.907 9.136 4.343 1.00 70.14 C ATOM 246 NZ LYS A 18 13.318 9.400 3.987 1.00 64.42 N ATOM 0 H LYS A 18 6.970 9.583 1.666 1.00 21.53 H new ATOM 0 HA LYS A 18 9.916 9.344 1.711 1.00 25.52 H new ATOM 0 HB2 LYS A 18 8.032 8.373 3.884 1.00 21.34 H new ATOM 0 HB3 LYS A 18 9.693 7.835 3.736 1.00 21.34 H new ATOM 0 HG2 LYS A 18 8.883 10.766 3.854 1.00 54.33 H new ATOM 0 HG3 LYS A 18 9.294 9.832 5.279 1.00 54.33 H new ATOM 0 HD2 LYS A 18 11.140 10.644 3.007 1.00 65.11 H new ATOM 0 HD3 LYS A 18 11.216 11.150 4.683 1.00 65.11 H new ATOM 0 HE2 LYS A 18 11.845 8.904 5.406 1.00 70.14 H new ATOM 0 HE3 LYS A 18 11.562 8.254 3.804 1.00 70.14 H new ATOM 0 HZ1 LYS A 18 13.897 8.569 4.222 1.00 64.42 H new ATOM 0 HZ2 LYS A 18 13.388 9.594 2.968 1.00 64.42 H new ATOM 0 HZ3 LYS A 18 13.662 10.224 4.520 1.00 64.42 H new ATOM 260 N VAL A 19 8.260 7.735 0.050 1.00 2.03 N ATOM 261 CA VAL A 19 7.948 6.598 -0.826 1.00 24.44 C ATOM 262 C VAL A 19 9.245 5.870 -1.237 1.00 14.31 C ATOM 263 O VAL A 19 10.326 6.474 -1.197 1.00 74.32 O ATOM 264 CB VAL A 19 7.119 7.055 -2.045 1.00 30.14 C ATOM 265 CG1 VAL A 19 5.877 7.817 -1.582 1.00 13.33 C ATOM 266 CG2 VAL A 19 7.905 7.877 -3.065 1.00 1.11 C ATOM 0 H VAL A 19 7.970 8.634 -0.334 1.00 2.03 H new ATOM 0 HA VAL A 19 7.333 5.884 -0.278 1.00 24.44 H new ATOM 0 HB VAL A 19 6.825 6.145 -2.568 1.00 30.14 H new ATOM 0 HG11 VAL A 19 5.300 8.134 -2.451 1.00 13.33 H new ATOM 0 HG12 VAL A 19 5.264 7.168 -0.957 1.00 13.33 H new ATOM 0 HG13 VAL A 19 6.180 8.693 -1.008 1.00 13.33 H new ATOM 0 HG21 VAL A 19 7.249 8.158 -3.889 1.00 1.11 H new ATOM 0 HG22 VAL A 19 8.292 8.777 -2.587 1.00 1.11 H new ATOM 0 HG23 VAL A 19 8.735 7.284 -3.448 1.00 1.11 H new ATOM 276 N PRO A 20 9.171 4.582 -1.609 1.00 4.42 N ATOM 277 CA PRO A 20 10.323 3.808 -2.031 1.00 21.31 C ATOM 278 C PRO A 20 10.781 4.168 -3.446 1.00 63.23 C ATOM 279 O PRO A 20 10.099 4.848 -4.212 1.00 74.41 O ATOM 280 CB PRO A 20 9.893 2.337 -1.933 1.00 31.31 C ATOM 281 CG PRO A 20 8.375 2.366 -2.002 1.00 23.53 C ATOM 282 CD PRO A 20 7.980 3.759 -1.560 1.00 1.41 C ATOM 0 HA PRO A 20 11.185 4.018 -1.397 1.00 21.31 H new ATOM 0 HB2 PRO A 20 10.314 1.748 -2.748 1.00 31.31 H new ATOM 0 HB3 PRO A 20 10.237 1.886 -1.002 1.00 31.31 H new ATOM 0 HG2 PRO A 20 8.024 2.160 -3.013 1.00 23.53 H new ATOM 0 HG3 PRO A 20 7.937 1.608 -1.352 1.00 23.53 H new ATOM 0 HD2 PRO A 20 7.206 4.164 -2.212 1.00 1.41 H new ATOM 0 HD3 PRO A 20 7.568 3.739 -0.551 1.00 1.41 H new ATOM 290 N SER A 21 11.949 3.648 -3.805 1.00 11.11 N ATOM 291 CA SER A 21 12.543 3.656 -5.133 1.00 34.31 C ATOM 292 C SER A 21 11.872 2.615 -6.039 1.00 61.14 C ATOM 293 O SER A 21 11.665 2.886 -7.218 1.00 43.44 O ATOM 294 CB SER A 21 14.054 3.378 -4.989 1.00 34.41 C ATOM 295 OG SER A 21 14.361 2.801 -3.720 1.00 50.02 O ATOM 0 H SER A 21 12.547 3.177 -3.126 1.00 11.11 H new ATOM 0 HA SER A 21 12.393 4.629 -5.601 1.00 34.31 H new ATOM 0 HB2 SER A 21 14.379 2.706 -5.784 1.00 34.41 H new ATOM 0 HB3 SER A 21 14.609 4.308 -5.111 1.00 34.41 H new ATOM 0 HG SER A 21 14.429 3.509 -3.046 1.00 50.02 H new ATOM 301 N GLY A 22 11.499 1.444 -5.507 1.00 32.14 N ATOM 302 CA GLY A 22 10.971 0.327 -6.285 1.00 10.24 C ATOM 303 C GLY A 22 9.585 0.564 -6.889 1.00 73.20 C ATOM 304 O GLY A 22 9.135 -0.260 -7.688 1.00 43.24 O ATOM 0 H GLY A 22 11.558 1.248 -4.508 1.00 32.14 H new ATOM 0 HA2 GLY A 22 11.669 0.102 -7.091 1.00 10.24 H new ATOM 0 HA3 GLY A 22 10.927 -0.554 -5.645 1.00 10.24 H new ATOM 308 N LEU A 23 8.902 1.647 -6.515 1.00 10.23 N ATOM 309 CA LEU A 23 7.664 2.129 -7.090 1.00 10.02 C ATOM 310 C LEU A 23 7.888 2.546 -8.534 1.00 30.31 C ATOM 311 O LEU A 23 8.863 3.221 -8.850 1.00 2.32 O ATOM 312 CB LEU A 23 7.203 3.316 -6.232 1.00 14.25 C ATOM 313 CG LEU A 23 5.909 3.995 -6.723 1.00 21.23 C ATOM 314 CD1 LEU A 23 5.131 4.489 -5.504 1.00 41.03 C ATOM 315 CD2 LEU A 23 6.161 5.195 -7.650 1.00 21.42 C ATOM 0 H LEU A 23 9.227 2.242 -5.753 1.00 10.23 H new ATOM 0 HA LEU A 23 6.900 1.352 -7.096 1.00 10.02 H new ATOM 0 HB2 LEU A 23 7.052 2.972 -5.209 1.00 14.25 H new ATOM 0 HB3 LEU A 23 8.000 4.059 -6.204 1.00 14.25 H new ATOM 0 HG LEU A 23 5.356 3.252 -7.298 1.00 21.23 H new ATOM 0 HD11 LEU A 23 4.211 4.973 -5.831 1.00 41.03 H new ATOM 0 HD12 LEU A 23 4.887 3.643 -4.861 1.00 41.03 H new ATOM 0 HD13 LEU A 23 5.739 5.203 -4.949 1.00 41.03 H new ATOM 0 HD21 LEU A 23 5.207 5.624 -7.957 1.00 21.42 H new ATOM 0 HD22 LEU A 23 6.744 5.948 -7.120 1.00 21.42 H new ATOM 0 HD23 LEU A 23 6.711 4.865 -8.531 1.00 21.42 H new ATOM 327 N LYS A 24 6.937 2.199 -9.394 1.00 22.33 N ATOM 328 CA LYS A 24 6.865 2.647 -10.775 1.00 4.32 C ATOM 329 C LYS A 24 5.420 2.991 -11.072 1.00 5.41 C ATOM 330 O LYS A 24 4.599 2.099 -11.238 1.00 63.52 O ATOM 331 CB LYS A 24 7.363 1.543 -11.710 1.00 70.50 C ATOM 332 CG LYS A 24 8.880 1.333 -11.669 1.00 14.22 C ATOM 333 CD LYS A 24 9.583 2.441 -12.462 1.00 74.41 C ATOM 334 CE LYS A 24 11.018 2.618 -11.977 1.00 74.50 C ATOM 335 NZ LYS A 24 11.826 3.294 -13.002 1.00 14.25 N ATOM 0 H LYS A 24 6.170 1.577 -9.138 1.00 22.33 H new ATOM 0 HA LYS A 24 7.496 3.522 -10.931 1.00 4.32 H new ATOM 0 HB2 LYS A 24 6.869 0.607 -11.447 1.00 70.50 H new ATOM 0 HB3 LYS A 24 7.067 1.784 -12.731 1.00 70.50 H new ATOM 0 HG2 LYS A 24 9.228 1.336 -10.636 1.00 14.22 H new ATOM 0 HG3 LYS A 24 9.132 0.359 -12.087 1.00 14.22 H new ATOM 0 HD2 LYS A 24 9.580 2.194 -13.524 1.00 74.41 H new ATOM 0 HD3 LYS A 24 9.037 3.378 -12.351 1.00 74.41 H new ATOM 0 HE2 LYS A 24 11.028 3.200 -11.055 1.00 74.50 H new ATOM 0 HE3 LYS A 24 11.453 1.646 -11.745 1.00 74.50 H new ATOM 0 HZ1 LYS A 24 12.801 3.407 -12.657 1.00 14.25 H new ATOM 0 HZ2 LYS A 24 11.831 2.724 -13.872 1.00 14.25 H new ATOM 0 HZ3 LYS A 24 11.419 4.230 -13.203 1.00 14.25 H new ATOM 349 N ASN A 25 5.091 4.281 -11.082 1.00 63.12 N ATOM 350 CA ASN A 25 3.785 4.814 -11.463 1.00 1.23 C ATOM 351 C ASN A 25 2.625 4.100 -10.759 1.00 21.31 C ATOM 352 O ASN A 25 1.597 3.817 -11.370 1.00 2.32 O ATOM 353 CB ASN A 25 3.675 4.853 -12.996 1.00 41.44 C ATOM 354 CG ASN A 25 2.587 5.779 -13.542 1.00 22.32 C ATOM 355 OD1 ASN A 25 1.890 5.418 -14.485 1.00 61.15 O ATOM 356 ND2 ASN A 25 2.465 7.010 -13.069 1.00 5.03 N ATOM 0 H ASN A 25 5.751 5.011 -10.815 1.00 63.12 H new ATOM 0 HA ASN A 25 3.701 5.842 -11.109 1.00 1.23 H new ATOM 0 HB2 ASN A 25 4.636 5.164 -13.406 1.00 41.44 H new ATOM 0 HB3 ASN A 25 3.486 3.842 -13.358 1.00 41.44 H new ATOM 0 HD21 ASN A 25 1.794 7.653 -13.488 1.00 5.03 H new ATOM 0 HD22 ASN A 25 3.042 7.315 -12.285 1.00 5.03 H new ATOM 363 N GLY A 26 2.793 3.804 -9.466 1.00 24.45 N ATOM 364 CA GLY A 26 1.801 3.152 -8.613 1.00 10.33 C ATOM 365 C GLY A 26 1.933 1.627 -8.552 1.00 13.13 C ATOM 366 O GLY A 26 1.239 1.008 -7.746 1.00 23.22 O ATOM 0 H GLY A 26 3.657 4.021 -8.969 1.00 24.45 H new ATOM 0 HA2 GLY A 26 1.886 3.554 -7.603 1.00 10.33 H new ATOM 0 HA3 GLY A 26 0.804 3.405 -8.974 1.00 10.33 H new ATOM 370 N GLU A 27 2.814 1.015 -9.349 1.00 13.13 N ATOM 371 CA GLU A 27 3.025 -0.425 -9.435 1.00 53.30 C ATOM 372 C GLU A 27 4.418 -0.758 -8.886 1.00 14.34 C ATOM 373 O GLU A 27 5.444 -0.398 -9.465 1.00 44.33 O ATOM 374 CB GLU A 27 2.847 -0.883 -10.890 1.00 22.15 C ATOM 375 CG GLU A 27 2.880 -2.412 -11.007 1.00 14.44 C ATOM 376 CD GLU A 27 3.181 -2.840 -12.442 1.00 31.25 C ATOM 377 OE1 GLU A 27 4.374 -2.809 -12.816 1.00 70.24 O ATOM 378 OE2 GLU A 27 2.250 -3.212 -13.194 1.00 51.42 O ATOM 0 H GLU A 27 3.424 1.537 -9.978 1.00 13.13 H new ATOM 0 HA GLU A 27 2.291 -0.961 -8.833 1.00 53.30 H new ATOM 0 HB2 GLU A 27 1.900 -0.508 -11.277 1.00 22.15 H new ATOM 0 HB3 GLU A 27 3.636 -0.453 -11.507 1.00 22.15 H new ATOM 0 HG2 GLU A 27 3.638 -2.816 -10.336 1.00 14.44 H new ATOM 0 HG3 GLU A 27 1.922 -2.826 -10.693 1.00 14.44 H new ATOM 385 N LEU A 28 4.456 -1.422 -7.735 1.00 54.21 N ATOM 386 CA LEU A 28 5.661 -1.832 -7.028 1.00 51.11 C ATOM 387 C LEU A 28 6.102 -3.178 -7.597 1.00 63.11 C ATOM 388 O LEU A 28 5.475 -4.207 -7.329 1.00 14.02 O ATOM 389 CB LEU A 28 5.360 -1.946 -5.522 1.00 41.14 C ATOM 390 CG LEU A 28 5.311 -0.626 -4.726 1.00 65.41 C ATOM 391 CD1 LEU A 28 6.726 -0.148 -4.375 1.00 11.05 C ATOM 392 CD2 LEU A 28 4.492 0.489 -5.400 1.00 43.31 C ATOM 0 H LEU A 28 3.605 -1.702 -7.248 1.00 54.21 H new ATOM 0 HA LEU A 28 6.458 -1.100 -7.158 1.00 51.11 H new ATOM 0 HB2 LEU A 28 4.401 -2.451 -5.403 1.00 41.14 H new ATOM 0 HB3 LEU A 28 6.117 -2.588 -5.071 1.00 41.14 H new ATOM 0 HG LEU A 28 4.775 -0.855 -3.805 1.00 65.41 H new ATOM 0 HD11 LEU A 28 6.666 0.785 -3.814 1.00 11.05 H new ATOM 0 HD12 LEU A 28 7.226 -0.904 -3.770 1.00 11.05 H new ATOM 0 HD13 LEU A 28 7.293 0.016 -5.292 1.00 11.05 H new ATOM 0 HD21 LEU A 28 4.509 1.382 -4.775 1.00 43.31 H new ATOM 0 HD22 LEU A 28 4.924 0.720 -6.374 1.00 43.31 H new ATOM 0 HD23 LEU A 28 3.462 0.156 -5.530 1.00 43.31 H new ATOM 404 N LYS A 29 7.170 -3.176 -8.398 1.00 64.32 N ATOM 405 CA LYS A 29 7.799 -4.416 -8.852 1.00 50.32 C ATOM 406 C LYS A 29 8.509 -5.039 -7.656 1.00 71.23 C ATOM 407 O LYS A 29 9.324 -4.347 -7.042 1.00 30.55 O ATOM 408 CB LYS A 29 8.775 -4.133 -10.017 1.00 24.31 C ATOM 409 CG LYS A 29 8.678 -5.170 -11.142 1.00 4.13 C ATOM 410 CD LYS A 29 7.619 -4.815 -12.190 1.00 45.30 C ATOM 411 CE LYS A 29 7.409 -5.961 -13.182 1.00 11.03 C ATOM 412 NZ LYS A 29 8.605 -6.302 -13.987 1.00 51.33 N ATOM 0 H LYS A 29 7.617 -2.328 -8.745 1.00 64.32 H new ATOM 0 HA LYS A 29 7.052 -5.112 -9.234 1.00 50.32 H new ATOM 0 HB2 LYS A 29 8.570 -3.143 -10.424 1.00 24.31 H new ATOM 0 HB3 LYS A 29 9.795 -4.115 -9.633 1.00 24.31 H new ATOM 0 HG2 LYS A 29 9.648 -5.261 -11.630 1.00 4.13 H new ATOM 0 HG3 LYS A 29 8.444 -6.144 -10.712 1.00 4.13 H new ATOM 0 HD2 LYS A 29 6.677 -4.584 -11.693 1.00 45.30 H new ATOM 0 HD3 LYS A 29 7.924 -3.917 -12.728 1.00 45.30 H new ATOM 0 HE2 LYS A 29 7.092 -6.847 -12.632 1.00 11.03 H new ATOM 0 HE3 LYS A 29 6.595 -5.696 -13.857 1.00 11.03 H new ATOM 0 HZ1 LYS A 29 8.378 -7.086 -14.632 1.00 51.33 H new ATOM 0 HZ2 LYS A 29 8.899 -5.472 -14.541 1.00 51.33 H new ATOM 0 HZ3 LYS A 29 9.379 -6.588 -13.354 1.00 51.33 H new ATOM 426 N VAL A 30 8.221 -6.301 -7.330 1.00 1.43 N ATOM 427 CA VAL A 30 8.889 -7.015 -6.252 1.00 11.44 C ATOM 428 C VAL A 30 9.291 -8.352 -6.842 1.00 50.43 C ATOM 429 O VAL A 30 8.584 -8.888 -7.709 1.00 63.24 O ATOM 430 CB VAL A 30 7.928 -7.213 -5.070 1.00 62.13 C ATOM 431 CG1 VAL A 30 8.601 -7.701 -3.785 1.00 21.25 C ATOM 432 CG2 VAL A 30 7.130 -5.955 -4.700 1.00 11.05 C ATOM 0 H VAL A 30 7.513 -6.855 -7.812 1.00 1.43 H new ATOM 0 HA VAL A 30 9.752 -6.467 -5.872 1.00 11.44 H new ATOM 0 HB VAL A 30 7.259 -7.985 -5.451 1.00 62.13 H new ATOM 0 HG11 VAL A 30 7.851 -7.814 -3.002 1.00 21.25 H new ATOM 0 HG12 VAL A 30 9.082 -8.662 -3.968 1.00 21.25 H new ATOM 0 HG13 VAL A 30 9.350 -6.975 -3.468 1.00 21.25 H new ATOM 0 HG21 VAL A 30 6.474 -6.175 -3.857 1.00 11.05 H new ATOM 0 HG22 VAL A 30 7.818 -5.155 -4.426 1.00 11.05 H new ATOM 0 HG23 VAL A 30 6.530 -5.640 -5.554 1.00 11.05 H new ATOM 442 N GLU A 31 10.401 -8.906 -6.368 1.00 72.20 N ATOM 443 CA GLU A 31 10.827 -10.212 -6.823 1.00 73.13 C ATOM 444 C GLU A 31 10.369 -11.289 -5.837 1.00 11.24 C ATOM 445 O GLU A 31 9.683 -11.020 -4.845 1.00 54.41 O ATOM 446 CB GLU A 31 12.329 -10.236 -7.109 1.00 33.42 C ATOM 447 CG GLU A 31 13.155 -9.965 -5.854 1.00 65.53 C ATOM 448 CD GLU A 31 14.621 -10.314 -6.020 1.00 41.04 C ATOM 449 OE1 GLU A 31 14.933 -11.390 -6.586 1.00 13.03 O ATOM 450 OE2 GLU A 31 15.458 -9.508 -5.563 1.00 14.24 O ATOM 0 H GLU A 31 11.012 -8.472 -5.676 1.00 72.20 H new ATOM 0 HA GLU A 31 10.347 -10.438 -7.775 1.00 73.13 H new ATOM 0 HB2 GLU A 31 12.604 -11.207 -7.521 1.00 33.42 H new ATOM 0 HB3 GLU A 31 12.566 -9.489 -7.867 1.00 33.42 H new ATOM 0 HG2 GLU A 31 13.066 -8.912 -5.588 1.00 65.53 H new ATOM 0 HG3 GLU A 31 12.743 -10.539 -5.024 1.00 65.53 H new ATOM 457 N ALA A 32 10.783 -12.526 -6.096 1.00 42.40 N ATOM 458 CA ALA A 32 10.418 -13.683 -5.304 1.00 24.32 C ATOM 459 C ALA A 32 10.936 -13.651 -3.861 1.00 43.02 C ATOM 460 O ALA A 32 10.593 -14.553 -3.118 1.00 11.13 O ATOM 461 CB ALA A 32 10.945 -14.924 -6.015 1.00 24.52 C ATOM 0 H ALA A 32 11.395 -12.750 -6.881 1.00 42.40 H new ATOM 0 HA ALA A 32 9.331 -13.689 -5.220 1.00 24.32 H new ATOM 0 HB1 ALA A 32 10.684 -15.812 -5.439 1.00 24.52 H new ATOM 0 HB2 ALA A 32 10.500 -14.991 -7.008 1.00 24.52 H new ATOM 0 HB3 ALA A 32 12.029 -14.858 -6.107 1.00 24.52 H new ATOM 467 N GLU A 33 11.730 -12.671 -3.427 1.00 42.00 N ATOM 468 CA GLU A 33 12.245 -12.607 -2.053 1.00 32.23 C ATOM 469 C GLU A 33 11.394 -11.690 -1.188 1.00 44.14 C ATOM 470 O GLU A 33 11.552 -11.656 0.030 1.00 60.40 O ATOM 471 CB GLU A 33 13.699 -12.145 -2.052 1.00 60.40 C ATOM 472 CG GLU A 33 14.555 -13.085 -2.906 1.00 62.54 C ATOM 473 CD GLU A 33 15.870 -13.432 -2.213 1.00 72.33 C ATOM 474 OE1 GLU A 33 15.854 -14.402 -1.414 1.00 4.15 O ATOM 475 OE2 GLU A 33 16.872 -12.722 -2.459 1.00 73.50 O ATOM 0 H GLU A 33 12.036 -11.897 -4.017 1.00 42.00 H new ATOM 0 HA GLU A 33 12.195 -13.609 -1.627 1.00 32.23 H new ATOM 0 HB2 GLU A 33 13.765 -11.129 -2.440 1.00 60.40 H new ATOM 0 HB3 GLU A 33 14.080 -12.122 -1.031 1.00 60.40 H new ATOM 0 HG2 GLU A 33 13.998 -14.000 -3.111 1.00 62.54 H new ATOM 0 HG3 GLU A 33 14.763 -12.616 -3.868 1.00 62.54 H new ATOM 482 N GLY A 34 10.491 -10.954 -1.829 1.00 72.44 N ATOM 483 CA GLY A 34 9.710 -9.919 -1.202 1.00 54.23 C ATOM 484 C GLY A 34 10.596 -8.717 -0.886 1.00 41.31 C ATOM 485 O GLY A 34 11.803 -8.709 -1.157 1.00 51.30 O ATOM 0 H GLY A 34 10.285 -11.072 -2.821 1.00 72.44 H new ATOM 0 HA2 GLY A 34 8.895 -9.618 -1.860 1.00 54.23 H new ATOM 0 HA3 GLY A 34 9.257 -10.298 -0.286 1.00 54.23 H new ATOM 489 N GLY A 35 9.981 -7.670 -0.359 1.00 63.34 N ATOM 490 CA GLY A 35 10.670 -6.523 0.216 1.00 33.22 C ATOM 491 C GLY A 35 9.782 -5.814 1.236 1.00 0.12 C ATOM 492 O GLY A 35 8.557 -5.980 1.223 1.00 61.50 O ATOM 0 H GLY A 35 8.965 -7.591 -0.318 1.00 63.34 H new ATOM 0 HA2 GLY A 35 11.593 -6.850 0.695 1.00 33.22 H new ATOM 0 HA3 GLY A 35 10.951 -5.827 -0.575 1.00 33.22 H new ATOM 496 N SER A 36 10.385 -4.968 2.074 1.00 20.51 N ATOM 497 CA SER A 36 9.688 -4.041 2.956 1.00 42.24 C ATOM 498 C SER A 36 9.670 -2.663 2.294 1.00 42.30 C ATOM 499 O SER A 36 10.666 -2.271 1.676 1.00 52.21 O ATOM 500 CB SER A 36 10.443 -3.994 4.289 1.00 32.32 C ATOM 501 OG SER A 36 9.791 -3.150 5.216 1.00 60.31 O ATOM 0 H SER A 36 11.400 -4.911 2.157 1.00 20.51 H new ATOM 0 HA SER A 36 8.661 -4.358 3.137 1.00 42.24 H new ATOM 0 HB2 SER A 36 10.521 -5.000 4.701 1.00 32.32 H new ATOM 0 HB3 SER A 36 11.460 -3.638 4.122 1.00 32.32 H new ATOM 0 HG SER A 36 10.293 -3.140 6.058 1.00 60.31 H new ATOM 507 N SER A 37 8.612 -1.876 2.485 1.00 34.54 N ATOM 508 CA SER A 37 8.443 -0.561 1.890 1.00 5.41 C ATOM 509 C SER A 37 7.836 0.387 2.936 1.00 2.14 C ATOM 510 O SER A 37 7.107 -0.067 3.824 1.00 22.54 O ATOM 511 CB SER A 37 7.525 -0.735 0.671 1.00 44.00 C ATOM 512 OG SER A 37 7.946 -1.777 -0.200 1.00 24.43 O ATOM 0 H SER A 37 7.828 -2.149 3.077 1.00 34.54 H new ATOM 0 HA SER A 37 9.390 -0.127 1.570 1.00 5.41 H new ATOM 0 HB2 SER A 37 6.511 -0.943 1.014 1.00 44.00 H new ATOM 0 HB3 SER A 37 7.487 0.202 0.115 1.00 44.00 H new ATOM 0 HG SER A 37 7.325 -1.843 -0.955 1.00 24.43 H new ATOM 518 N LEU A 38 8.113 1.692 2.826 1.00 22.43 N ATOM 519 CA LEU A 38 7.636 2.766 3.703 1.00 74.40 C ATOM 520 C LEU A 38 7.055 3.869 2.826 1.00 22.35 C ATOM 521 O LEU A 38 7.633 4.184 1.788 1.00 43.11 O ATOM 522 CB LEU A 38 8.808 3.332 4.535 1.00 71.22 C ATOM 523 CG LEU A 38 8.511 4.689 5.223 1.00 5.22 C ATOM 524 CD1 LEU A 38 7.404 4.588 6.272 1.00 43.32 C ATOM 525 CD2 LEU A 38 9.760 5.264 5.888 1.00 52.30 C ATOM 0 H LEU A 38 8.711 2.046 2.079 1.00 22.43 H new ATOM 0 HA LEU A 38 6.879 2.381 4.387 1.00 74.40 H new ATOM 0 HB2 LEU A 38 9.080 2.604 5.299 1.00 71.22 H new ATOM 0 HB3 LEU A 38 9.675 3.451 3.885 1.00 71.22 H new ATOM 0 HG LEU A 38 8.176 5.353 4.426 1.00 5.22 H new ATOM 0 HD11 LEU A 38 7.238 5.567 6.721 1.00 43.32 H new ATOM 0 HD12 LEU A 38 6.484 4.246 5.798 1.00 43.32 H new ATOM 0 HD13 LEU A 38 7.699 3.879 7.046 1.00 43.32 H new ATOM 0 HD21 LEU A 38 9.515 6.215 6.360 1.00 52.30 H new ATOM 0 HD22 LEU A 38 10.124 4.567 6.643 1.00 52.30 H new ATOM 0 HD23 LEU A 38 10.533 5.421 5.136 1.00 52.30 H new ATOM 537 N PHE A 39 5.966 4.487 3.278 1.00 24.35 N ATOM 538 CA PHE A 39 5.264 5.580 2.641 1.00 74.30 C ATOM 539 C PHE A 39 4.829 6.510 3.777 1.00 21.31 C ATOM 540 O PHE A 39 3.901 6.196 4.514 1.00 23.34 O ATOM 541 CB PHE A 39 4.068 5.032 1.834 1.00 13.01 C ATOM 542 CG PHE A 39 4.397 3.873 0.916 1.00 2.41 C ATOM 543 CD1 PHE A 39 4.525 2.576 1.449 1.00 13.45 C ATOM 544 CD2 PHE A 39 4.601 4.088 -0.459 1.00 31.53 C ATOM 545 CE1 PHE A 39 4.946 1.518 0.637 1.00 24.42 C ATOM 546 CE2 PHE A 39 4.986 3.016 -1.279 1.00 5.34 C ATOM 547 CZ PHE A 39 5.199 1.742 -0.724 1.00 23.51 C ATOM 0 H PHE A 39 5.528 4.213 4.158 1.00 24.35 H new ATOM 0 HA PHE A 39 5.884 6.124 1.928 1.00 74.30 H new ATOM 0 HB2 PHE A 39 3.292 4.716 2.531 1.00 13.01 H new ATOM 0 HB3 PHE A 39 3.649 5.842 1.237 1.00 13.01 H new ATOM 0 HD1 PHE A 39 4.297 2.397 2.489 1.00 13.45 H new ATOM 0 HD2 PHE A 39 4.462 5.072 -0.881 1.00 31.53 H new ATOM 0 HE1 PHE A 39 5.076 0.531 1.057 1.00 24.42 H new ATOM 0 HE2 PHE A 39 5.119 3.170 -2.340 1.00 5.34 H new ATOM 0 HZ PHE A 39 5.558 0.935 -1.346 1.00 23.51 H new ATOM 557 N ALA A 40 5.513 7.639 3.974 1.00 73.14 N ATOM 558 CA ALA A 40 5.070 8.667 4.917 1.00 41.23 C ATOM 559 C ALA A 40 4.174 9.615 4.142 1.00 44.04 C ATOM 560 O ALA A 40 4.655 10.288 3.225 1.00 2.32 O ATOM 561 CB ALA A 40 6.237 9.427 5.560 1.00 5.03 C ATOM 0 H ALA A 40 6.382 7.865 3.489 1.00 73.14 H new ATOM 0 HA ALA A 40 4.538 8.197 5.744 1.00 41.23 H new ATOM 0 HB1 ALA A 40 5.848 10.176 6.249 1.00 5.03 H new ATOM 0 HB2 ALA A 40 6.871 8.727 6.105 1.00 5.03 H new ATOM 0 HB3 ALA A 40 6.823 9.919 4.783 1.00 5.03 H new ATOM 567 N CYS A 41 2.886 9.643 4.461 1.00 50.13 N ATOM 568 CA CYS A 41 1.974 10.649 3.954 1.00 22.30 C ATOM 569 C CYS A 41 2.417 11.965 4.585 1.00 41.12 C ATOM 570 O CYS A 41 2.587 12.029 5.806 1.00 11.04 O ATOM 571 CB CYS A 41 0.556 10.294 4.370 1.00 31.44 C ATOM 572 SG CYS A 41 -0.463 9.647 3.031 1.00 34.24 S ATOM 0 H CYS A 41 2.447 8.963 5.082 1.00 50.13 H new ATOM 0 HA CYS A 41 1.988 10.717 2.866 1.00 22.30 H new ATOM 0 HB2 CYS A 41 0.598 9.555 5.170 1.00 31.44 H new ATOM 0 HB3 CYS A 41 0.076 11.182 4.781 1.00 31.44 H new ATOM 0 HG CYS A 41 0.119 8.610 2.505 1.00 34.24 H new ATOM 578 N LYS A 42 2.655 13.000 3.777 1.00 73.41 N ATOM 579 CA LYS A 42 3.006 14.308 4.315 1.00 14.40 C ATOM 580 C LYS A 42 1.781 15.211 4.489 1.00 63.55 C ATOM 581 O LYS A 42 1.796 16.063 5.369 1.00 11.04 O ATOM 582 CB LYS A 42 4.093 14.938 3.433 1.00 45.25 C ATOM 583 CG LYS A 42 4.789 16.132 4.103 1.00 24.51 C ATOM 584 CD LYS A 42 5.795 15.694 5.176 1.00 41.32 C ATOM 585 CE LYS A 42 6.235 16.879 6.038 1.00 4.12 C ATOM 586 NZ LYS A 42 7.227 16.474 7.057 1.00 4.41 N ATOM 0 H LYS A 42 2.611 12.956 2.759 1.00 73.41 H new ATOM 0 HA LYS A 42 3.409 14.184 5.320 1.00 14.40 H new ATOM 0 HB2 LYS A 42 4.838 14.181 3.187 1.00 45.25 H new ATOM 0 HB3 LYS A 42 3.647 15.264 2.493 1.00 45.25 H new ATOM 0 HG2 LYS A 42 5.304 16.722 3.345 1.00 24.51 H new ATOM 0 HG3 LYS A 42 4.038 16.780 4.555 1.00 24.51 H new ATOM 0 HD2 LYS A 42 5.346 14.928 5.808 1.00 41.32 H new ATOM 0 HD3 LYS A 42 6.666 15.244 4.700 1.00 41.32 H new ATOM 0 HE2 LYS A 42 6.662 17.654 5.401 1.00 4.12 H new ATOM 0 HE3 LYS A 42 5.365 17.315 6.530 1.00 4.12 H new ATOM 0 HZ1 LYS A 42 7.502 17.303 7.622 1.00 4.41 H new ATOM 0 HZ2 LYS A 42 6.810 15.753 7.680 1.00 4.41 H new ATOM 0 HZ3 LYS A 42 8.067 16.081 6.587 1.00 4.41 H new ATOM 600 N ASN A 43 0.716 15.015 3.708 1.00 12.13 N ATOM 601 CA ASN A 43 -0.435 15.942 3.643 1.00 51.15 C ATOM 602 C ASN A 43 -1.749 15.302 4.090 1.00 62.33 C ATOM 603 O ASN A 43 -2.814 15.874 3.874 1.00 61.42 O ATOM 604 CB ASN A 43 -0.599 16.566 2.243 1.00 22.32 C ATOM 605 CG ASN A 43 -1.357 15.672 1.269 1.00 21.23 C ATOM 606 OD1 ASN A 43 -1.089 14.480 1.207 1.00 72.32 O ATOM 607 ND2 ASN A 43 -2.248 16.192 0.453 1.00 4.10 N ATOM 0 H ASN A 43 0.620 14.205 3.095 1.00 12.13 H new ATOM 0 HA ASN A 43 -0.202 16.736 4.352 1.00 51.15 H new ATOM 0 HB2 ASN A 43 -1.124 17.517 2.336 1.00 22.32 H new ATOM 0 HB3 ASN A 43 0.387 16.785 1.833 1.00 22.32 H new ATOM 0 HD21 ASN A 43 -2.717 15.601 -0.233 1.00 4.10 H new ATOM 0 HD22 ASN A 43 -2.470 17.186 0.507 1.00 4.10 H new ATOM 614 N TYR A 44 -1.689 14.106 4.667 1.00 51.25 N ATOM 615 CA TYR A 44 -2.808 13.455 5.322 1.00 11.31 C ATOM 616 C TYR A 44 -2.208 12.731 6.526 1.00 32.22 C ATOM 617 O TYR A 44 -1.091 12.228 6.426 1.00 3.20 O ATOM 618 CB TYR A 44 -3.515 12.526 4.319 1.00 13.34 C ATOM 619 CG TYR A 44 -4.532 13.258 3.452 1.00 23.31 C ATOM 620 CD1 TYR A 44 -5.791 13.620 3.974 1.00 11.43 C ATOM 621 CD2 TYR A 44 -4.185 13.654 2.147 1.00 65.53 C ATOM 622 CE1 TYR A 44 -6.678 14.399 3.208 1.00 51.23 C ATOM 623 CE2 TYR A 44 -5.041 14.479 1.394 1.00 65.22 C ATOM 624 CZ TYR A 44 -6.286 14.866 1.933 1.00 32.50 C ATOM 625 OH TYR A 44 -7.068 15.747 1.263 1.00 63.13 O ATOM 0 H TYR A 44 -0.834 13.551 4.690 1.00 51.25 H new ATOM 0 HA TYR A 44 -3.579 14.143 5.667 1.00 11.31 H new ATOM 0 HB2 TYR A 44 -2.769 12.056 3.678 1.00 13.34 H new ATOM 0 HB3 TYR A 44 -4.017 11.726 4.863 1.00 13.34 H new ATOM 0 HD1 TYR A 44 -6.075 13.298 4.965 1.00 11.43 H new ATOM 0 HD2 TYR A 44 -3.251 13.321 1.719 1.00 65.53 H new ATOM 0 HE1 TYR A 44 -7.657 14.640 3.594 1.00 51.23 H new ATOM 0 HE2 TYR A 44 -4.747 14.814 0.410 1.00 65.22 H new ATOM 0 HH TYR A 44 -7.766 15.261 0.776 1.00 63.13 H new ATOM 635 N LYS A 45 -2.895 12.724 7.667 1.00 22.11 N ATOM 636 CA LYS A 45 -2.401 12.218 8.958 1.00 22.23 C ATOM 637 C LYS A 45 -3.557 11.495 9.670 1.00 50.21 C ATOM 638 O LYS A 45 -3.747 11.612 10.879 1.00 30.51 O ATOM 639 CB LYS A 45 -1.857 13.418 9.767 1.00 52.02 C ATOM 640 CG LYS A 45 -0.360 13.599 9.502 1.00 44.11 C ATOM 641 CD LYS A 45 0.145 15.042 9.523 1.00 50.23 C ATOM 642 CE LYS A 45 0.565 15.457 8.110 1.00 33.51 C ATOM 643 NZ LYS A 45 1.108 16.825 8.059 1.00 45.32 N ATOM 0 H LYS A 45 -3.848 13.083 7.726 1.00 22.11 H new ATOM 0 HA LYS A 45 -1.589 11.501 8.838 1.00 22.23 H new ATOM 0 HB2 LYS A 45 -2.395 14.325 9.492 1.00 52.02 H new ATOM 0 HB3 LYS A 45 -2.028 13.256 10.831 1.00 52.02 H new ATOM 0 HG2 LYS A 45 0.194 13.028 10.247 1.00 44.11 H new ATOM 0 HG3 LYS A 45 -0.126 13.165 8.530 1.00 44.11 H new ATOM 0 HD2 LYS A 45 -0.636 15.707 9.891 1.00 50.23 H new ATOM 0 HD3 LYS A 45 0.989 15.133 10.206 1.00 50.23 H new ATOM 0 HE2 LYS A 45 1.315 14.759 7.738 1.00 33.51 H new ATOM 0 HE3 LYS A 45 -0.295 15.386 7.444 1.00 33.51 H new ATOM 0 HZ1 LYS A 45 1.516 17.002 7.119 1.00 45.32 H new ATOM 0 HZ2 LYS A 45 0.345 17.508 8.240 1.00 45.32 H new ATOM 0 HZ3 LYS A 45 1.847 16.932 8.783 1.00 45.32 H new ATOM 657 N SER A 46 -4.407 10.845 8.880 1.00 25.44 N ATOM 658 CA SER A 46 -5.598 10.126 9.307 1.00 2.32 C ATOM 659 C SER A 46 -6.128 9.391 8.074 1.00 23.22 C ATOM 660 O SER A 46 -6.711 10.028 7.192 1.00 45.42 O ATOM 661 CB SER A 46 -6.625 11.104 9.921 1.00 70.54 C ATOM 662 OG SER A 46 -6.765 12.311 9.174 1.00 21.13 O ATOM 0 H SER A 46 -4.274 10.805 7.870 1.00 25.44 H new ATOM 0 HA SER A 46 -5.382 9.402 10.093 1.00 2.32 H new ATOM 0 HB2 SER A 46 -7.594 10.610 9.986 1.00 70.54 H new ATOM 0 HB3 SER A 46 -6.322 11.347 10.939 1.00 70.54 H new ATOM 0 HG SER A 46 -6.838 12.099 8.220 1.00 21.13 H new ATOM 668 N PHE A 47 -5.858 8.093 7.933 1.00 25.20 N ATOM 669 CA PHE A 47 -6.391 7.287 6.836 1.00 1.33 C ATOM 670 C PHE A 47 -6.549 5.824 7.263 1.00 13.33 C ATOM 671 O PHE A 47 -6.081 5.430 8.339 1.00 41.44 O ATOM 672 CB PHE A 47 -5.521 7.464 5.576 1.00 64.41 C ATOM 673 CG PHE A 47 -4.047 7.132 5.683 1.00 14.34 C ATOM 674 CD1 PHE A 47 -3.128 8.093 6.145 1.00 34.21 C ATOM 675 CD2 PHE A 47 -3.580 5.894 5.215 1.00 1.32 C ATOM 676 CE1 PHE A 47 -1.753 7.806 6.158 1.00 64.23 C ATOM 677 CE2 PHE A 47 -2.208 5.608 5.219 1.00 65.25 C ATOM 678 CZ PHE A 47 -1.290 6.561 5.698 1.00 45.43 C ATOM 0 H PHE A 47 -5.263 7.571 8.577 1.00 25.20 H new ATOM 0 HA PHE A 47 -7.391 7.637 6.580 1.00 1.33 H new ATOM 0 HB2 PHE A 47 -5.947 6.846 4.785 1.00 64.41 H new ATOM 0 HB3 PHE A 47 -5.608 8.501 5.252 1.00 64.41 H new ATOM 0 HD1 PHE A 47 -3.481 9.053 6.490 1.00 34.21 H new ATOM 0 HD2 PHE A 47 -4.281 5.158 4.850 1.00 1.32 H new ATOM 0 HE1 PHE A 47 -1.051 8.542 6.522 1.00 64.23 H new ATOM 0 HE2 PHE A 47 -1.855 4.655 4.854 1.00 65.25 H new ATOM 0 HZ PHE A 47 -0.234 6.337 5.712 1.00 45.43 H new ATOM 688 N TRP A 48 -7.214 5.027 6.423 1.00 50.45 N ATOM 689 CA TRP A 48 -7.485 3.607 6.621 1.00 13.14 C ATOM 690 C TRP A 48 -7.332 2.823 5.328 1.00 2.40 C ATOM 691 O TRP A 48 -7.286 3.400 4.246 1.00 3.32 O ATOM 692 CB TRP A 48 -8.899 3.399 7.175 1.00 2.30 C ATOM 693 CG TRP A 48 -10.048 3.958 6.383 1.00 11.41 C ATOM 694 CD1 TRP A 48 -10.841 3.247 5.550 1.00 73.22 C ATOM 695 CD2 TRP A 48 -10.546 5.333 6.319 1.00 65.53 C ATOM 696 NE1 TRP A 48 -11.805 4.069 5.007 1.00 50.45 N ATOM 697 CE2 TRP A 48 -11.648 5.373 5.415 1.00 43.04 C ATOM 698 CE3 TRP A 48 -10.178 6.554 6.923 1.00 42.12 C ATOM 699 CZ2 TRP A 48 -12.337 6.556 5.118 1.00 51.25 C ATOM 700 CZ3 TRP A 48 -10.837 7.757 6.607 1.00 65.13 C ATOM 701 CH2 TRP A 48 -11.918 7.756 5.710 1.00 32.43 C ATOM 0 H TRP A 48 -7.596 5.375 5.543 1.00 50.45 H new ATOM 0 HA TRP A 48 -6.754 3.237 7.340 1.00 13.14 H new ATOM 0 HB2 TRP A 48 -9.060 2.327 7.289 1.00 2.30 H new ATOM 0 HB3 TRP A 48 -8.936 3.835 8.173 1.00 2.30 H new ATOM 0 HD1 TRP A 48 -10.735 2.193 5.341 1.00 73.22 H new ATOM 0 HE1 TRP A 48 -12.544 3.750 4.380 1.00 50.45 H new ATOM 0 HE3 TRP A 48 -9.373 6.566 7.643 1.00 42.12 H new ATOM 0 HZ2 TRP A 48 -13.179 6.544 4.442 1.00 51.25 H new ATOM 0 HZ3 TRP A 48 -10.511 8.684 7.056 1.00 65.13 H new ATOM 0 HH2 TRP A 48 -12.426 8.680 5.476 1.00 32.43 H new ATOM 712 N ILE A 49 -7.238 1.502 5.476 1.00 11.33 N ATOM 713 CA ILE A 49 -7.138 0.508 4.419 1.00 13.41 C ATOM 714 C ILE A 49 -8.535 0.340 3.808 1.00 13.21 C ATOM 715 O ILE A 49 -9.492 0.112 4.551 1.00 50.15 O ATOM 716 CB ILE A 49 -6.611 -0.817 5.021 1.00 4.33 C ATOM 717 CG1 ILE A 49 -5.231 -0.633 5.710 1.00 24.54 C ATOM 718 CG2 ILE A 49 -6.581 -1.923 3.948 1.00 1.23 C ATOM 719 CD1 ILE A 49 -4.051 -0.458 4.749 1.00 63.31 C ATOM 0 H ILE A 49 -7.230 1.074 6.402 1.00 11.33 H new ATOM 0 HA ILE A 49 -6.442 0.815 3.638 1.00 13.41 H new ATOM 0 HB ILE A 49 -7.303 -1.130 5.803 1.00 4.33 H new ATOM 0 HG12 ILE A 49 -5.281 0.237 6.364 1.00 24.54 H new ATOM 0 HG13 ILE A 49 -5.039 -1.498 6.345 1.00 24.54 H new ATOM 0 HG21 ILE A 49 -6.208 -2.847 4.389 1.00 1.23 H new ATOM 0 HG22 ILE A 49 -7.588 -2.085 3.564 1.00 1.23 H new ATOM 0 HG23 ILE A 49 -5.926 -1.620 3.131 1.00 1.23 H new ATOM 0 HD11 ILE A 49 -3.131 -0.337 5.321 1.00 63.31 H new ATOM 0 HD12 ILE A 49 -3.968 -1.338 4.111 1.00 63.31 H new ATOM 0 HD13 ILE A 49 -4.213 0.425 4.131 1.00 63.31 H new ATOM 731 N SER A 50 -8.636 0.372 2.476 1.00 4.44 N ATOM 732 CA SER A 50 -9.885 0.198 1.739 1.00 71.21 C ATOM 733 C SER A 50 -9.784 -0.706 0.502 1.00 2.11 C ATOM 734 O SER A 50 -10.751 -0.819 -0.254 1.00 22.11 O ATOM 735 CB SER A 50 -10.461 1.569 1.369 1.00 44.42 C ATOM 736 OG SER A 50 -10.957 2.225 2.518 1.00 50.14 O ATOM 0 H SER A 50 -7.831 0.523 1.868 1.00 4.44 H new ATOM 0 HA SER A 50 -10.561 -0.329 2.412 1.00 71.21 H new ATOM 0 HB2 SER A 50 -9.689 2.179 0.899 1.00 44.42 H new ATOM 0 HB3 SER A 50 -11.261 1.449 0.638 1.00 44.42 H new ATOM 0 HG SER A 50 -11.320 3.099 2.265 1.00 50.14 H new ATOM 742 N SER A 51 -8.660 -1.380 0.251 1.00 45.13 N ATOM 743 CA SER A 51 -8.656 -2.511 -0.674 1.00 2.00 C ATOM 744 C SER A 51 -7.592 -3.511 -0.252 1.00 5.12 C ATOM 745 O SER A 51 -6.504 -3.102 0.167 1.00 53.04 O ATOM 746 CB SER A 51 -8.390 -2.043 -2.111 1.00 1.44 C ATOM 747 OG SER A 51 -9.326 -1.060 -2.530 1.00 64.25 O ATOM 0 H SER A 51 -7.755 -1.166 0.669 1.00 45.13 H new ATOM 0 HA SER A 51 -9.637 -2.985 -0.645 1.00 2.00 H new ATOM 0 HB2 SER A 51 -7.381 -1.636 -2.179 1.00 1.44 H new ATOM 0 HB3 SER A 51 -8.435 -2.898 -2.785 1.00 1.44 H new ATOM 0 HG SER A 51 -10.080 -1.038 -1.904 1.00 64.25 H new ATOM 753 N VAL A 52 -7.884 -4.800 -0.415 1.00 23.51 N ATOM 754 CA VAL A 52 -6.902 -5.868 -0.343 1.00 32.31 C ATOM 755 C VAL A 52 -7.291 -6.960 -1.347 1.00 61.15 C ATOM 756 O VAL A 52 -8.427 -7.438 -1.381 1.00 34.44 O ATOM 757 CB VAL A 52 -6.691 -6.334 1.118 1.00 11.20 C ATOM 758 CG1 VAL A 52 -7.988 -6.534 1.918 1.00 23.34 C ATOM 759 CG2 VAL A 52 -5.800 -7.585 1.188 1.00 72.34 C ATOM 0 H VAL A 52 -8.830 -5.133 -0.604 1.00 23.51 H new ATOM 0 HA VAL A 52 -5.913 -5.521 -0.642 1.00 32.31 H new ATOM 0 HB VAL A 52 -6.175 -5.506 1.605 1.00 11.20 H new ATOM 0 HG11 VAL A 52 -7.745 -6.860 2.929 1.00 23.34 H new ATOM 0 HG12 VAL A 52 -8.537 -5.593 1.962 1.00 23.34 H new ATOM 0 HG13 VAL A 52 -8.603 -7.290 1.431 1.00 23.34 H new ATOM 0 HG21 VAL A 52 -5.673 -7.884 2.229 1.00 72.34 H new ATOM 0 HG22 VAL A 52 -6.268 -8.397 0.632 1.00 72.34 H new ATOM 0 HG23 VAL A 52 -4.826 -7.362 0.753 1.00 72.34 H new ATOM 769 N LYS A 53 -6.332 -7.367 -2.184 1.00 13.12 N ATOM 770 CA LYS A 53 -6.418 -8.525 -3.075 1.00 12.22 C ATOM 771 C LYS A 53 -5.057 -9.213 -3.046 1.00 25.23 C ATOM 772 O LYS A 53 -4.079 -8.540 -2.742 1.00 45.34 O ATOM 773 CB LYS A 53 -6.788 -8.087 -4.509 1.00 10.22 C ATOM 774 CG LYS A 53 -5.667 -7.408 -5.317 1.00 12.22 C ATOM 775 CD LYS A 53 -6.092 -7.123 -6.756 1.00 42.13 C ATOM 776 CE LYS A 53 -7.164 -6.053 -6.946 1.00 73.15 C ATOM 777 NZ LYS A 53 -7.649 -6.048 -8.340 1.00 23.54 N ATOM 0 H LYS A 53 -5.440 -6.879 -2.261 1.00 13.12 H new ATOM 0 HA LYS A 53 -7.199 -9.210 -2.745 1.00 12.22 H new ATOM 0 HB2 LYS A 53 -7.126 -8.965 -5.060 1.00 10.22 H new ATOM 0 HB3 LYS A 53 -7.634 -7.402 -4.452 1.00 10.22 H new ATOM 0 HG2 LYS A 53 -5.384 -6.474 -4.831 1.00 12.22 H new ATOM 0 HG3 LYS A 53 -4.784 -8.047 -5.319 1.00 12.22 H new ATOM 0 HD2 LYS A 53 -5.208 -6.826 -7.321 1.00 42.13 H new ATOM 0 HD3 LYS A 53 -6.454 -8.052 -7.196 1.00 42.13 H new ATOM 0 HE2 LYS A 53 -7.996 -6.238 -6.266 1.00 73.15 H new ATOM 0 HE3 LYS A 53 -6.758 -5.074 -6.693 1.00 73.15 H new ATOM 0 HZ1 LYS A 53 -8.401 -5.337 -8.443 1.00 23.54 H new ATOM 0 HZ2 LYS A 53 -6.863 -5.816 -8.980 1.00 23.54 H new ATOM 0 HZ3 LYS A 53 -8.025 -6.988 -8.580 1.00 23.54 H new ATOM 791 N GLU A 54 -4.979 -10.489 -3.414 1.00 72.21 N ATOM 792 CA GLU A 54 -3.735 -11.267 -3.551 1.00 11.31 C ATOM 793 C GLU A 54 -3.802 -12.242 -4.747 1.00 14.11 C ATOM 794 O GLU A 54 -2.832 -12.919 -5.095 1.00 31.32 O ATOM 795 CB GLU A 54 -3.430 -12.016 -2.245 1.00 52.04 C ATOM 796 CG GLU A 54 -4.509 -13.038 -1.834 1.00 1.35 C ATOM 797 CD GLU A 54 -3.956 -14.275 -1.117 1.00 43.03 C ATOM 798 OE1 GLU A 54 -2.905 -14.818 -1.534 1.00 20.53 O ATOM 799 OE2 GLU A 54 -4.636 -14.726 -0.166 1.00 74.44 O ATOM 0 H GLU A 54 -5.810 -11.038 -3.635 1.00 72.21 H new ATOM 0 HA GLU A 54 -2.922 -10.569 -3.750 1.00 11.31 H new ATOM 0 HB2 GLU A 54 -2.477 -12.534 -2.351 1.00 52.04 H new ATOM 0 HB3 GLU A 54 -3.310 -11.289 -1.442 1.00 52.04 H new ATOM 0 HG2 GLU A 54 -5.231 -12.546 -1.183 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -5.049 -13.358 -2.725 1.00 1.35 H new ATOM 806 N GLU A 55 -4.977 -12.325 -5.377 1.00 43.44 N ATOM 807 CA GLU A 55 -5.350 -13.244 -6.459 1.00 4.24 C ATOM 808 C GLU A 55 -6.163 -12.479 -7.515 1.00 52.13 C ATOM 809 O GLU A 55 -7.071 -13.001 -8.159 1.00 5.35 O ATOM 810 CB GLU A 55 -6.173 -14.395 -5.873 1.00 41.03 C ATOM 811 CG GLU A 55 -5.352 -15.383 -5.044 1.00 14.31 C ATOM 812 CD GLU A 55 -6.260 -16.427 -4.405 1.00 55.22 C ATOM 813 OE1 GLU A 55 -7.218 -16.071 -3.685 1.00 64.43 O ATOM 814 OE2 GLU A 55 -6.023 -17.634 -4.614 1.00 61.30 O ATOM 0 H GLU A 55 -5.749 -11.707 -5.127 1.00 43.44 H new ATOM 0 HA GLU A 55 -4.458 -13.653 -6.934 1.00 4.24 H new ATOM 0 HB2 GLU A 55 -6.965 -13.981 -5.248 1.00 41.03 H new ATOM 0 HB3 GLU A 55 -6.658 -14.934 -6.687 1.00 41.03 H new ATOM 0 HG2 GLU A 55 -4.614 -15.874 -5.678 1.00 14.31 H new ATOM 0 HG3 GLU A 55 -4.802 -14.848 -4.270 1.00 14.31 H new ATOM 821 N GLY A 56 -5.931 -11.171 -7.615 1.00 2.45 N ATOM 822 CA GLY A 56 -6.659 -10.291 -8.525 1.00 50.11 C ATOM 823 C GLY A 56 -8.032 -9.872 -7.990 1.00 30.54 C ATOM 824 O GLY A 56 -8.545 -8.823 -8.391 1.00 32.51 O ATOM 0 H GLY A 56 -5.224 -10.688 -7.060 1.00 2.45 H new ATOM 0 HA2 GLY A 56 -6.062 -9.399 -8.713 1.00 50.11 H new ATOM 0 HA3 GLY A 56 -6.788 -10.796 -9.483 1.00 50.11 H new ATOM 828 N LYS A 57 -8.578 -10.614 -7.020 1.00 5.30 N ATOM 829 CA LYS A 57 -9.974 -10.539 -6.593 1.00 44.04 C ATOM 830 C LYS A 57 -10.076 -9.968 -5.195 1.00 3.04 C ATOM 831 O LYS A 57 -9.162 -10.123 -4.382 1.00 74.32 O ATOM 832 CB LYS A 57 -10.636 -11.922 -6.713 1.00 42.25 C ATOM 833 CG LYS A 57 -9.917 -13.099 -6.033 1.00 1.12 C ATOM 834 CD LYS A 57 -10.307 -13.336 -4.570 1.00 5.21 C ATOM 835 CE LYS A 57 -9.653 -14.652 -4.128 1.00 2.23 C ATOM 836 NZ LYS A 57 -10.567 -15.524 -3.372 1.00 62.12 N ATOM 0 H LYS A 57 -8.041 -11.304 -6.496 1.00 5.30 H new ATOM 0 HA LYS A 57 -10.516 -9.859 -7.250 1.00 44.04 H new ATOM 0 HB2 LYS A 57 -11.642 -11.854 -6.298 1.00 42.25 H new ATOM 0 HB3 LYS A 57 -10.743 -12.156 -7.772 1.00 42.25 H new ATOM 0 HG2 LYS A 57 -10.122 -14.007 -6.600 1.00 1.12 H new ATOM 0 HG3 LYS A 57 -8.842 -12.927 -6.084 1.00 1.12 H new ATOM 0 HD2 LYS A 57 -9.969 -12.510 -3.944 1.00 5.21 H new ATOM 0 HD3 LYS A 57 -11.391 -13.392 -4.466 1.00 5.21 H new ATOM 0 HE2 LYS A 57 -9.295 -15.186 -5.008 1.00 2.23 H new ATOM 0 HE3 LYS A 57 -8.781 -14.429 -3.513 1.00 2.23 H new ATOM 0 HZ1 LYS A 57 -10.070 -16.396 -3.101 1.00 62.12 H new ATOM 0 HZ2 LYS A 57 -10.890 -15.029 -2.516 1.00 62.12 H new ATOM 0 HZ3 LYS A 57 -11.388 -15.763 -3.964 1.00 62.12 H new ATOM 850 N PHE A 58 -11.177 -9.285 -4.924 1.00 24.10 N ATOM 851 CA PHE A 58 -11.365 -8.568 -3.675 1.00 22.52 C ATOM 852 C PHE A 58 -11.852 -9.505 -2.575 1.00 31.41 C ATOM 853 O PHE A 58 -12.587 -10.475 -2.817 1.00 10.03 O ATOM 854 CB PHE A 58 -12.331 -7.394 -3.894 1.00 30.24 C ATOM 855 CG PHE A 58 -11.651 -6.052 -4.111 1.00 63.11 C ATOM 856 CD1 PHE A 58 -10.434 -5.928 -4.821 1.00 14.10 C ATOM 857 CD2 PHE A 58 -12.246 -4.904 -3.557 1.00 70.12 C ATOM 858 CE1 PHE A 58 -9.839 -4.661 -4.954 1.00 65.33 C ATOM 859 CE2 PHE A 58 -11.647 -3.643 -3.698 1.00 52.01 C ATOM 860 CZ PHE A 58 -10.453 -3.520 -4.420 1.00 51.42 C ATOM 0 H PHE A 58 -11.966 -9.213 -5.566 1.00 24.10 H new ATOM 0 HA PHE A 58 -10.407 -8.166 -3.346 1.00 22.52 H new ATOM 0 HB2 PHE A 58 -12.959 -7.613 -4.757 1.00 30.24 H new ATOM 0 HB3 PHE A 58 -12.992 -7.317 -3.030 1.00 30.24 H new ATOM 0 HD1 PHE A 58 -9.966 -6.798 -5.257 1.00 14.10 H new ATOM 0 HD2 PHE A 58 -13.176 -4.994 -3.016 1.00 70.12 H new ATOM 0 HE1 PHE A 58 -8.897 -4.566 -5.474 1.00 65.33 H new ATOM 0 HE2 PHE A 58 -12.104 -2.772 -3.252 1.00 52.01 H new ATOM 0 HZ PHE A 58 -10.006 -2.547 -4.565 1.00 51.42 H new ATOM 870 N LYS A 59 -11.461 -9.166 -1.351 1.00 15.13 N ATOM 871 CA LYS A 59 -11.903 -9.773 -0.098 1.00 4.01 C ATOM 872 C LYS A 59 -12.227 -8.654 0.903 1.00 20.30 C ATOM 873 O LYS A 59 -12.180 -7.480 0.534 1.00 34.10 O ATOM 874 CB LYS A 59 -10.818 -10.741 0.399 1.00 3.01 C ATOM 875 CG LYS A 59 -9.478 -10.025 0.640 1.00 11.01 C ATOM 876 CD LYS A 59 -8.914 -10.289 2.036 1.00 20.31 C ATOM 877 CE LYS A 59 -8.292 -11.678 2.203 1.00 15.42 C ATOM 878 NZ LYS A 59 -7.162 -11.947 1.295 1.00 44.32 N ATOM 0 H LYS A 59 -10.787 -8.416 -1.197 1.00 15.13 H new ATOM 0 HA LYS A 59 -12.812 -10.359 -0.232 1.00 4.01 H new ATOM 0 HB2 LYS A 59 -11.149 -11.213 1.324 1.00 3.01 H new ATOM 0 HB3 LYS A 59 -10.678 -11.537 -0.333 1.00 3.01 H new ATOM 0 HG2 LYS A 59 -8.756 -10.352 -0.108 1.00 11.01 H new ATOM 0 HG3 LYS A 59 -9.614 -8.952 0.504 1.00 11.01 H new ATOM 0 HD2 LYS A 59 -8.160 -9.535 2.261 1.00 20.31 H new ATOM 0 HD3 LYS A 59 -9.713 -10.169 2.768 1.00 20.31 H new ATOM 0 HE2 LYS A 59 -7.951 -11.790 3.232 1.00 15.42 H new ATOM 0 HE3 LYS A 59 -9.063 -12.431 2.039 1.00 15.42 H new ATOM 0 HZ1 LYS A 59 -6.670 -12.811 1.600 1.00 44.32 H new ATOM 0 HZ2 LYS A 59 -7.518 -12.075 0.326 1.00 44.32 H new ATOM 0 HZ3 LYS A 59 -6.500 -11.145 1.317 1.00 44.32 H new ATOM 892 N GLU A 60 -12.585 -9.015 2.131 1.00 14.30 N ATOM 893 CA GLU A 60 -13.001 -8.074 3.171 1.00 42.02 C ATOM 894 C GLU A 60 -11.787 -7.555 3.950 1.00 41.14 C ATOM 895 O GLU A 60 -10.658 -7.982 3.688 1.00 0.30 O ATOM 896 CB GLU A 60 -14.017 -8.773 4.096 1.00 63.32 C ATOM 897 CG GLU A 60 -15.461 -8.589 3.663 1.00 60.31 C ATOM 898 CD GLU A 60 -16.047 -7.226 4.063 1.00 4.30 C ATOM 899 OE1 GLU A 60 -15.363 -6.188 3.889 1.00 41.31 O ATOM 900 OE2 GLU A 60 -17.221 -7.193 4.509 1.00 40.13 O ATOM 0 H GLU A 60 -12.595 -9.987 2.439 1.00 14.30 H new ATOM 0 HA GLU A 60 -13.479 -7.206 2.716 1.00 42.02 H new ATOM 0 HB2 GLU A 60 -13.790 -9.839 4.131 1.00 63.32 H new ATOM 0 HB3 GLU A 60 -13.898 -8.388 5.109 1.00 63.32 H new ATOM 0 HG2 GLU A 60 -15.525 -8.701 2.581 1.00 60.31 H new ATOM 0 HG3 GLU A 60 -16.068 -9.381 4.102 1.00 60.31 H new ATOM 907 N ASN A 61 -12.021 -6.642 4.903 1.00 72.15 N ATOM 908 CA ASN A 61 -11.039 -6.266 5.907 1.00 22.43 C ATOM 909 C ASN A 61 -11.700 -6.085 7.275 1.00 73.55 C ATOM 910 O ASN A 61 -12.527 -5.197 7.466 1.00 14.14 O ATOM 911 CB ASN A 61 -10.259 -5.005 5.510 1.00 11.02 C ATOM 912 CG ASN A 61 -9.064 -4.805 6.442 1.00 23.42 C ATOM 913 OD1 ASN A 61 -8.908 -5.481 7.453 1.00 73.41 O ATOM 914 ND2 ASN A 61 -8.154 -3.907 6.117 1.00 55.24 N ATOM 0 H ASN A 61 -12.907 -6.145 4.992 1.00 72.15 H new ATOM 0 HA ASN A 61 -10.320 -7.083 5.973 1.00 22.43 H new ATOM 0 HB2 ASN A 61 -9.915 -5.092 4.479 1.00 11.02 H new ATOM 0 HB3 ASN A 61 -10.914 -4.135 5.555 1.00 11.02 H new ATOM 0 HD21 ASN A 61 -7.330 -3.780 6.705 1.00 55.24 H new ATOM 0 HD22 ASN A 61 -8.274 -3.340 5.278 1.00 55.24 H new ATOM 921 N THR A 62 -11.298 -6.914 8.235 1.00 53.34 N ATOM 922 CA THR A 62 -11.722 -6.909 9.630 1.00 75.24 C ATOM 923 C THR A 62 -11.108 -5.773 10.465 1.00 31.20 C ATOM 924 O THR A 62 -11.301 -5.740 11.685 1.00 52.15 O ATOM 925 CB THR A 62 -11.460 -8.305 10.223 1.00 0.24 C ATOM 926 OG1 THR A 62 -11.949 -8.415 11.546 1.00 53.11 O ATOM 927 CG2 THR A 62 -9.974 -8.646 10.230 1.00 12.24 C ATOM 0 H THR A 62 -10.623 -7.655 8.045 1.00 53.34 H new ATOM 0 HA THR A 62 -12.790 -6.696 9.665 1.00 75.24 H new ATOM 0 HB THR A 62 -11.992 -9.007 9.580 1.00 0.24 H new ATOM 0 HG1 THR A 62 -11.922 -7.536 11.979 1.00 53.11 H new ATOM 0 HG21 THR A 62 -9.831 -9.639 10.656 1.00 12.24 H new ATOM 0 HG22 THR A 62 -9.592 -8.631 9.209 1.00 12.24 H new ATOM 0 HG23 THR A 62 -9.435 -7.913 10.830 1.00 12.24 H new ATOM 935 N SER A 63 -10.317 -4.894 9.864 1.00 12.42 N ATOM 936 CA SER A 63 -9.634 -3.782 10.501 1.00 22.14 C ATOM 937 C SER A 63 -9.640 -2.600 9.534 1.00 3.42 C ATOM 938 O SER A 63 -9.945 -2.744 8.352 1.00 72.24 O ATOM 939 CB SER A 63 -8.195 -4.219 10.830 1.00 22.10 C ATOM 940 OG SER A 63 -7.519 -3.272 11.647 1.00 13.42 O ATOM 0 H SER A 63 -10.126 -4.943 8.863 1.00 12.42 H new ATOM 0 HA SER A 63 -10.130 -3.485 11.425 1.00 22.14 H new ATOM 0 HB2 SER A 63 -8.217 -5.184 11.337 1.00 22.10 H new ATOM 0 HB3 SER A 63 -7.639 -4.359 9.903 1.00 22.10 H new ATOM 0 HG SER A 63 -6.761 -3.706 12.092 1.00 13.42 H new ATOM 946 N TYR A 64 -9.217 -1.435 10.025 1.00 43.42 N ATOM 947 CA TYR A 64 -9.003 -0.256 9.202 1.00 41.01 C ATOM 948 C TYR A 64 -7.550 0.195 9.169 1.00 74.55 C ATOM 949 O TYR A 64 -7.208 1.104 8.423 1.00 15.23 O ATOM 950 CB TYR A 64 -10.006 0.842 9.591 1.00 63.55 C ATOM 951 CG TYR A 64 -11.399 0.648 9.015 1.00 43.44 C ATOM 952 CD1 TYR A 64 -11.599 0.469 7.629 1.00 74.43 C ATOM 953 CD2 TYR A 64 -12.509 0.632 9.878 1.00 23.42 C ATOM 954 CE1 TYR A 64 -12.893 0.246 7.119 1.00 20.53 C ATOM 955 CE2 TYR A 64 -13.798 0.385 9.382 1.00 22.14 C ATOM 956 CZ TYR A 64 -13.995 0.180 8.002 1.00 41.45 C ATOM 957 OH TYR A 64 -15.244 -0.090 7.535 1.00 71.54 O ATOM 0 H TYR A 64 -9.013 -1.287 11.013 1.00 43.42 H new ATOM 0 HA TYR A 64 -9.205 -0.516 8.163 1.00 41.01 H new ATOM 0 HB2 TYR A 64 -10.077 0.884 10.678 1.00 63.55 H new ATOM 0 HB3 TYR A 64 -9.619 1.806 9.259 1.00 63.55 H new ATOM 0 HD1 TYR A 64 -10.755 0.503 6.956 1.00 74.43 H new ATOM 0 HD2 TYR A 64 -12.368 0.812 10.934 1.00 23.42 H new ATOM 0 HE1 TYR A 64 -13.043 0.126 6.056 1.00 20.53 H new ATOM 0 HE2 TYR A 64 -14.639 0.352 10.058 1.00 22.14 H new ATOM 0 HH TYR A 64 -15.878 -0.097 8.282 1.00 71.54 H new ATOM 967 N LYS A 65 -6.656 -0.443 9.914 1.00 61.34 N ATOM 968 CA LYS A 65 -5.300 0.063 10.143 1.00 41.04 C ATOM 969 C LYS A 65 -4.254 -1.029 10.045 1.00 0.04 C ATOM 970 O LYS A 65 -3.071 -0.749 10.247 1.00 55.44 O ATOM 971 CB LYS A 65 -5.238 0.741 11.515 1.00 11.11 C ATOM 972 CG LYS A 65 -5.791 -0.193 12.604 1.00 12.24 C ATOM 973 CD LYS A 65 -5.576 0.417 13.993 1.00 21.51 C ATOM 974 CE LYS A 65 -4.147 0.147 14.479 1.00 71.55 C ATOM 975 NZ LYS A 65 -3.768 0.986 15.629 1.00 3.43 N ATOM 0 H LYS A 65 -6.848 -1.330 10.380 1.00 61.34 H new ATOM 0 HA LYS A 65 -5.074 0.787 9.360 1.00 41.04 H new ATOM 0 HB2 LYS A 65 -4.208 1.010 11.748 1.00 11.11 H new ATOM 0 HB3 LYS A 65 -5.813 1.667 11.496 1.00 11.11 H new ATOM 0 HG2 LYS A 65 -6.854 -0.367 12.437 1.00 12.24 H new ATOM 0 HG3 LYS A 65 -5.296 -1.163 12.545 1.00 12.24 H new ATOM 0 HD2 LYS A 65 -5.758 1.491 13.958 1.00 21.51 H new ATOM 0 HD3 LYS A 65 -6.293 -0.005 14.698 1.00 21.51 H new ATOM 0 HE2 LYS A 65 -4.054 -0.903 14.755 1.00 71.55 H new ATOM 0 HE3 LYS A 65 -3.450 0.324 13.660 1.00 71.55 H new ATOM 0 HZ1 LYS A 65 -2.794 0.762 15.916 1.00 3.43 H new ATOM 0 HZ2 LYS A 65 -3.828 1.989 15.362 1.00 3.43 H new ATOM 0 HZ3 LYS A 65 -4.414 0.800 16.423 1.00 3.43 H new ATOM 989 N GLU A 66 -4.664 -2.259 9.769 1.00 14.02 N ATOM 990 CA GLU A 66 -3.795 -3.403 9.651 1.00 11.00 C ATOM 991 C GLU A 66 -4.366 -4.295 8.555 1.00 61.13 C ATOM 992 O GLU A 66 -5.557 -4.214 8.238 1.00 12.31 O ATOM 993 CB GLU A 66 -3.721 -4.095 11.032 1.00 44.42 C ATOM 994 CG GLU A 66 -2.883 -5.384 11.099 1.00 44.13 C ATOM 995 CD GLU A 66 -2.889 -6.052 12.480 1.00 44.40 C ATOM 996 OE1 GLU A 66 -3.880 -5.949 13.240 1.00 1.01 O ATOM 997 OE2 GLU A 66 -1.913 -6.786 12.766 1.00 61.24 O ATOM 0 H GLU A 66 -5.647 -2.487 9.617 1.00 14.02 H new ATOM 0 HA GLU A 66 -2.775 -3.141 9.370 1.00 11.00 H new ATOM 0 HB2 GLU A 66 -3.314 -3.384 11.751 1.00 44.42 H new ATOM 0 HB3 GLU A 66 -4.736 -4.328 11.354 1.00 44.42 H new ATOM 0 HG2 GLU A 66 -3.261 -6.092 10.361 1.00 44.13 H new ATOM 0 HG3 GLU A 66 -1.855 -5.153 10.821 1.00 44.13 H new ATOM 1004 N PHE A 67 -3.517 -5.149 7.985 1.00 14.04 N ATOM 1005 CA PHE A 67 -3.956 -6.406 7.412 1.00 2.21 C ATOM 1006 C PHE A 67 -2.798 -7.395 7.479 1.00 40.22 C ATOM 1007 O PHE A 67 -1.738 -7.121 6.909 1.00 32.32 O ATOM 1008 CB PHE A 67 -4.444 -6.233 5.970 1.00 21.10 C ATOM 1009 CG PHE A 67 -5.386 -7.347 5.564 1.00 31.30 C ATOM 1010 CD1 PHE A 67 -6.689 -7.338 6.078 1.00 2.13 C ATOM 1011 CD2 PHE A 67 -4.979 -8.409 4.740 1.00 44.41 C ATOM 1012 CE1 PHE A 67 -7.605 -8.344 5.736 1.00 53.14 C ATOM 1013 CE2 PHE A 67 -5.883 -9.433 4.411 1.00 62.33 C ATOM 1014 CZ PHE A 67 -7.201 -9.393 4.897 1.00 20.44 C ATOM 0 H PHE A 67 -2.513 -4.984 7.911 1.00 14.04 H new ATOM 0 HA PHE A 67 -4.804 -6.783 7.984 1.00 2.21 H new ATOM 0 HB2 PHE A 67 -4.950 -5.273 5.869 1.00 21.10 H new ATOM 0 HB3 PHE A 67 -3.588 -6.215 5.295 1.00 21.10 H new ATOM 0 HD1 PHE A 67 -6.993 -6.546 6.747 1.00 2.13 H new ATOM 0 HD2 PHE A 67 -3.969 -8.439 4.358 1.00 44.41 H new ATOM 0 HE1 PHE A 67 -8.615 -8.311 6.116 1.00 53.14 H new ATOM 0 HE2 PHE A 67 -5.564 -10.252 3.784 1.00 62.33 H new ATOM 0 HZ PHE A 67 -7.902 -10.169 4.625 1.00 20.44 H new ATOM 1024 N ASP A 68 -2.968 -8.530 8.148 1.00 31.21 N ATOM 1025 CA ASP A 68 -2.077 -9.679 8.079 1.00 23.11 C ATOM 1026 C ASP A 68 -2.721 -10.701 7.157 1.00 40.14 C ATOM 1027 O ASP A 68 -3.787 -11.238 7.436 1.00 54.12 O ATOM 1028 CB ASP A 68 -1.680 -10.234 9.462 1.00 41.14 C ATOM 1029 CG ASP A 68 -2.755 -10.312 10.545 1.00 40.03 C ATOM 1030 OD1 ASP A 68 -3.967 -10.231 10.272 1.00 3.21 O ATOM 1031 OD2 ASP A 68 -2.360 -10.354 11.737 1.00 13.33 O ATOM 0 H ASP A 68 -3.759 -8.679 8.775 1.00 31.21 H new ATOM 0 HA ASP A 68 -1.116 -9.379 7.662 1.00 23.11 H new ATOM 0 HB2 ASP A 68 -1.281 -11.238 9.316 1.00 41.14 H new ATOM 0 HB3 ASP A 68 -0.865 -9.620 9.846 1.00 41.14 H new ATOM 1036 N GLY A 69 -2.101 -10.887 5.992 1.00 12.21 N ATOM 1037 CA GLY A 69 -2.598 -11.685 4.885 1.00 14.22 C ATOM 1038 C GLY A 69 -1.565 -12.703 4.438 1.00 55.30 C ATOM 1039 O GLY A 69 -1.165 -12.686 3.279 1.00 61.12 O ATOM 0 H GLY A 69 -1.196 -10.463 5.791 1.00 12.21 H new ATOM 0 HA2 GLY A 69 -3.512 -12.197 5.184 1.00 14.22 H new ATOM 0 HA3 GLY A 69 -2.856 -11.034 4.050 1.00 14.22 H new ATOM 1043 N GLY A 70 -1.116 -13.551 5.366 1.00 20.24 N ATOM 1044 CA GLY A 70 -0.339 -14.766 5.117 1.00 24.43 C ATOM 1045 C GLY A 70 1.102 -14.510 4.683 1.00 43.10 C ATOM 1046 O GLY A 70 2.045 -14.894 5.381 1.00 74.34 O ATOM 0 H GLY A 70 -1.293 -13.401 6.359 1.00 20.24 H new ATOM 0 HA2 GLY A 70 -0.331 -15.371 6.024 1.00 24.43 H new ATOM 0 HA3 GLY A 70 -0.840 -15.352 4.347 1.00 24.43 H new ATOM 1050 N TRP A 71 1.282 -13.870 3.529 1.00 62.31 N ATOM 1051 CA TRP A 71 2.563 -13.549 2.914 1.00 51.21 C ATOM 1052 C TRP A 71 2.759 -12.033 2.759 1.00 64.31 C ATOM 1053 O TRP A 71 3.699 -11.599 2.096 1.00 42.42 O ATOM 1054 CB TRP A 71 2.706 -14.336 1.599 1.00 31.13 C ATOM 1055 CG TRP A 71 1.691 -14.112 0.511 1.00 55.33 C ATOM 1056 CD1 TRP A 71 0.462 -14.676 0.436 1.00 20.34 C ATOM 1057 CD2 TRP A 71 1.824 -13.307 -0.701 1.00 1.03 C ATOM 1058 NE1 TRP A 71 -0.156 -14.310 -0.745 1.00 15.34 N ATOM 1059 CE2 TRP A 71 0.658 -13.493 -1.503 1.00 21.43 C ATOM 1060 CE3 TRP A 71 2.815 -12.436 -1.201 1.00 2.15 C ATOM 1061 CZ2 TRP A 71 0.496 -12.855 -2.744 1.00 51.01 C ATOM 1062 CZ3 TRP A 71 2.655 -11.779 -2.434 1.00 74.23 C ATOM 1063 CH2 TRP A 71 1.505 -11.993 -3.212 1.00 71.14 C ATOM 0 H TRP A 71 0.493 -13.545 2.970 1.00 62.31 H new ATOM 0 HA TRP A 71 3.374 -13.863 3.571 1.00 51.21 H new ATOM 0 HB2 TRP A 71 3.689 -14.113 1.185 1.00 31.13 H new ATOM 0 HB3 TRP A 71 2.697 -15.398 1.846 1.00 31.13 H new ATOM 0 HD1 TRP A 71 0.028 -15.318 1.189 1.00 20.34 H new ATOM 0 HE1 TRP A 71 -1.093 -14.606 -1.021 1.00 15.34 H new ATOM 0 HE3 TRP A 71 3.714 -12.271 -0.626 1.00 2.15 H new ATOM 0 HZ2 TRP A 71 -0.394 -13.024 -3.333 1.00 51.01 H new ATOM 0 HZ3 TRP A 71 3.422 -11.105 -2.786 1.00 74.23 H new ATOM 0 HH2 TRP A 71 1.396 -11.498 -4.166 1.00 71.14 H new ATOM 1074 N TYR A 72 1.891 -11.214 3.362 1.00 42.12 N ATOM 1075 CA TYR A 72 1.820 -9.770 3.170 1.00 34.45 C ATOM 1076 C TYR A 72 1.337 -9.184 4.496 1.00 62.12 C ATOM 1077 O TYR A 72 0.430 -9.755 5.124 1.00 64.21 O ATOM 1078 CB TYR A 72 0.821 -9.503 2.032 1.00 21.53 C ATOM 1079 CG TYR A 72 0.977 -8.203 1.266 1.00 52.31 C ATOM 1080 CD1 TYR A 72 1.756 -8.186 0.093 1.00 52.00 C ATOM 1081 CD2 TYR A 72 0.232 -7.061 1.617 1.00 52.44 C ATOM 1082 CE1 TYR A 72 1.836 -7.027 -0.698 1.00 12.43 C ATOM 1083 CE2 TYR A 72 0.309 -5.897 0.835 1.00 44.13 C ATOM 1084 CZ TYR A 72 1.126 -5.868 -0.317 1.00 23.41 C ATOM 1085 OH TYR A 72 1.217 -4.729 -1.056 1.00 25.53 O ATOM 0 H TYR A 72 1.193 -11.557 4.022 1.00 42.12 H new ATOM 0 HA TYR A 72 2.775 -9.319 2.900 1.00 34.45 H new ATOM 0 HB2 TYR A 72 0.891 -10.325 1.320 1.00 21.53 H new ATOM 0 HB3 TYR A 72 -0.185 -9.530 2.452 1.00 21.53 H new ATOM 0 HD1 TYR A 72 2.298 -9.073 -0.202 1.00 52.00 H new ATOM 0 HD2 TYR A 72 -0.401 -7.080 2.491 1.00 52.44 H new ATOM 0 HE1 TYR A 72 2.439 -7.023 -1.594 1.00 12.43 H new ATOM 0 HE2 TYR A 72 -0.258 -5.022 1.115 1.00 44.13 H new ATOM 0 HH TYR A 72 1.870 -4.857 -1.776 1.00 25.53 H new ATOM 1095 N LEU A 73 1.915 -8.079 4.961 1.00 20.43 N ATOM 1096 CA LEU A 73 1.601 -7.487 6.261 1.00 1.05 C ATOM 1097 C LEU A 73 1.527 -5.971 6.103 1.00 32.44 C ATOM 1098 O LEU A 73 2.468 -5.396 5.567 1.00 43.00 O ATOM 1099 CB LEU A 73 2.681 -7.876 7.302 1.00 60.20 C ATOM 1100 CG LEU A 73 2.154 -8.306 8.687 1.00 21.54 C ATOM 1101 CD1 LEU A 73 0.952 -7.489 9.168 1.00 4.33 C ATOM 1102 CD2 LEU A 73 1.779 -9.786 8.706 1.00 60.50 C ATOM 0 H LEU A 73 2.623 -7.562 4.440 1.00 20.43 H new ATOM 0 HA LEU A 73 0.642 -7.862 6.617 1.00 1.05 H new ATOM 0 HB2 LEU A 73 3.277 -8.691 6.892 1.00 60.20 H new ATOM 0 HB3 LEU A 73 3.351 -7.027 7.437 1.00 60.20 H new ATOM 0 HG LEU A 73 2.981 -8.118 9.372 1.00 21.54 H new ATOM 0 HD11 LEU A 73 0.637 -7.848 10.148 1.00 4.33 H new ATOM 0 HD12 LEU A 73 1.232 -6.438 9.239 1.00 4.33 H new ATOM 0 HD13 LEU A 73 0.131 -7.599 8.460 1.00 4.33 H new ATOM 0 HD21 LEU A 73 1.412 -10.056 9.696 1.00 60.50 H new ATOM 0 HD22 LEU A 73 1.000 -9.974 7.967 1.00 60.50 H new ATOM 0 HD23 LEU A 73 2.657 -10.387 8.469 1.00 60.50 H new ATOM 1114 N VAL A 74 0.468 -5.311 6.582 1.00 75.33 N ATOM 1115 CA VAL A 74 0.236 -3.877 6.406 1.00 64.31 C ATOM 1116 C VAL A 74 -0.046 -3.298 7.779 1.00 15.11 C ATOM 1117 O VAL A 74 -0.782 -3.925 8.544 1.00 52.03 O ATOM 1118 CB VAL A 74 -0.939 -3.591 5.425 1.00 72.33 C ATOM 1119 CG1 VAL A 74 -0.891 -2.116 5.014 1.00 20.43 C ATOM 1120 CG2 VAL A 74 -0.788 -4.410 4.135 1.00 2.14 C ATOM 0 H VAL A 74 -0.269 -5.772 7.116 1.00 75.33 H new ATOM 0 HA VAL A 74 1.115 -3.411 5.961 1.00 64.31 H new ATOM 0 HB VAL A 74 -1.870 -3.850 5.929 1.00 72.33 H new ATOM 0 HG11 VAL A 74 -1.710 -1.903 4.326 1.00 20.43 H new ATOM 0 HG12 VAL A 74 -0.988 -1.488 5.900 1.00 20.43 H new ATOM 0 HG13 VAL A 74 0.059 -1.906 4.523 1.00 20.43 H new ATOM 0 HG21 VAL A 74 -1.621 -4.193 3.466 1.00 2.14 H new ATOM 0 HG22 VAL A 74 0.149 -4.147 3.645 1.00 2.14 H new ATOM 0 HG23 VAL A 74 -0.785 -5.473 4.377 1.00 2.14 H new ATOM 1130 N LYS A 75 0.487 -2.110 8.087 1.00 34.23 N ATOM 1131 CA LYS A 75 0.015 -1.260 9.169 1.00 24.43 C ATOM 1132 C LYS A 75 0.031 0.183 8.688 1.00 72.33 C ATOM 1133 O LYS A 75 1.004 0.613 8.063 1.00 35.35 O ATOM 1134 CB LYS A 75 0.896 -1.371 10.420 1.00 62.44 C ATOM 1135 CG LYS A 75 0.610 -2.609 11.280 1.00 42.24 C ATOM 1136 CD LYS A 75 1.862 -3.410 11.649 1.00 22.25 C ATOM 1137 CE LYS A 75 2.332 -4.299 10.485 1.00 13.04 C ATOM 1138 NZ LYS A 75 2.915 -5.552 10.998 1.00 72.50 N ATOM 0 H LYS A 75 1.274 -1.711 7.576 1.00 34.23 H new ATOM 0 HA LYS A 75 -0.990 -1.583 9.439 1.00 24.43 H new ATOM 0 HB2 LYS A 75 1.942 -1.388 10.114 1.00 62.44 H new ATOM 0 HB3 LYS A 75 0.757 -0.478 11.030 1.00 62.44 H new ATOM 0 HG2 LYS A 75 0.108 -2.296 12.195 1.00 42.24 H new ATOM 0 HG3 LYS A 75 -0.081 -3.260 10.744 1.00 42.24 H new ATOM 0 HD2 LYS A 75 2.662 -2.725 11.930 1.00 22.25 H new ATOM 0 HD3 LYS A 75 1.653 -4.031 12.520 1.00 22.25 H new ATOM 0 HE2 LYS A 75 1.492 -4.524 9.828 1.00 13.04 H new ATOM 0 HE3 LYS A 75 3.070 -3.765 9.887 1.00 13.04 H new ATOM 0 HZ1 LYS A 75 3.228 -6.142 10.200 1.00 72.50 H new ATOM 0 HZ2 LYS A 75 3.729 -5.332 11.606 1.00 72.50 H new ATOM 0 HZ3 LYS A 75 2.200 -6.067 11.550 1.00 72.50 H new ATOM 1152 N ILE A 76 -1.031 0.911 9.016 1.00 24.11 N ATOM 1153 CA ILE A 76 -1.081 2.363 9.024 1.00 11.22 C ATOM 1154 C ILE A 76 -0.753 2.797 10.449 1.00 20.42 C ATOM 1155 O ILE A 76 -1.148 2.138 11.418 1.00 20.24 O ATOM 1156 CB ILE A 76 -2.487 2.843 8.590 1.00 64.45 C ATOM 1157 CG1 ILE A 76 -2.727 2.473 7.114 1.00 4.22 C ATOM 1158 CG2 ILE A 76 -2.673 4.355 8.800 1.00 62.35 C ATOM 1159 CD1 ILE A 76 -4.162 2.706 6.657 1.00 13.10 C ATOM 0 H ILE A 76 -1.915 0.485 9.294 1.00 24.11 H new ATOM 0 HA ILE A 76 -0.369 2.800 8.324 1.00 11.22 H new ATOM 0 HB ILE A 76 -3.221 2.340 9.219 1.00 64.45 H new ATOM 0 HG12 ILE A 76 -2.054 3.058 6.487 1.00 4.22 H new ATOM 0 HG13 ILE A 76 -2.472 1.424 6.964 1.00 4.22 H new ATOM 0 HG21 ILE A 76 -3.674 4.646 8.482 1.00 62.35 H new ATOM 0 HG22 ILE A 76 -2.544 4.594 9.856 1.00 62.35 H new ATOM 0 HG23 ILE A 76 -1.933 4.898 8.212 1.00 62.35 H new ATOM 0 HD11 ILE A 76 -4.260 2.425 5.609 1.00 13.10 H new ATOM 0 HD12 ILE A 76 -4.839 2.101 7.260 1.00 13.10 H new ATOM 0 HD13 ILE A 76 -4.415 3.760 6.775 1.00 13.10 H new ATOM 1171 N GLU A 77 -0.066 3.919 10.583 1.00 74.21 N ATOM 1172 CA GLU A 77 0.176 4.646 11.806 1.00 15.33 C ATOM 1173 C GLU A 77 -0.252 6.102 11.549 1.00 52.32 C ATOM 1174 O GLU A 77 -0.978 6.372 10.588 1.00 15.24 O ATOM 1175 CB GLU A 77 1.648 4.449 12.197 1.00 15.33 C ATOM 1176 CG GLU A 77 1.984 2.956 12.394 1.00 4.32 C ATOM 1177 CD GLU A 77 3.290 2.682 13.143 1.00 41.42 C ATOM 1178 OE1 GLU A 77 4.271 3.459 13.038 1.00 21.23 O ATOM 1179 OE2 GLU A 77 3.380 1.586 13.739 1.00 71.41 O ATOM 0 H GLU A 77 0.366 4.374 9.779 1.00 74.21 H new ATOM 0 HA GLU A 77 -0.401 4.293 12.661 1.00 15.33 H new ATOM 0 HB2 GLU A 77 2.291 4.869 11.423 1.00 15.33 H new ATOM 0 HB3 GLU A 77 1.858 4.995 13.117 1.00 15.33 H new ATOM 0 HG2 GLU A 77 1.165 2.483 12.936 1.00 4.32 H new ATOM 0 HG3 GLU A 77 2.036 2.478 11.416 1.00 4.32 H new ATOM 1186 N ASP A 78 0.157 7.029 12.409 1.00 72.34 N ATOM 1187 CA ASP A 78 -0.201 8.450 12.461 1.00 14.02 C ATOM 1188 C ASP A 78 -0.180 9.067 11.063 1.00 31.24 C ATOM 1189 O ASP A 78 -1.199 9.583 10.600 1.00 30.10 O ATOM 1190 CB ASP A 78 0.778 9.096 13.457 1.00 54.43 C ATOM 1191 CG ASP A 78 1.166 10.565 13.278 1.00 32.10 C ATOM 1192 OD1 ASP A 78 0.445 11.401 12.696 1.00 40.42 O ATOM 1193 OD2 ASP A 78 2.283 10.862 13.768 1.00 53.31 O ATOM 0 H ASP A 78 0.807 6.787 13.157 1.00 72.34 H new ATOM 0 HA ASP A 78 -1.221 8.616 12.807 1.00 14.02 H new ATOM 0 HB2 ASP A 78 0.350 8.989 14.454 1.00 54.43 H new ATOM 0 HB3 ASP A 78 1.697 8.510 13.440 1.00 54.43 H new ATOM 1198 N ASN A 79 0.903 8.885 10.310 1.00 5.10 N ATOM 1199 CA ASN A 79 0.872 9.116 8.866 1.00 72.21 C ATOM 1200 C ASN A 79 1.783 8.193 8.059 1.00 32.11 C ATOM 1201 O ASN A 79 1.895 8.383 6.851 1.00 64.35 O ATOM 1202 CB ASN A 79 1.112 10.601 8.546 1.00 3.11 C ATOM 1203 CG ASN A 79 2.486 11.158 8.867 1.00 63.23 C ATOM 1204 OD1 ASN A 79 2.657 12.236 9.421 1.00 5.14 O ATOM 1205 ND2 ASN A 79 3.512 10.449 8.471 1.00 44.44 N ATOM 0 H ASN A 79 1.807 8.581 10.672 1.00 5.10 H new ATOM 0 HA ASN A 79 -0.134 8.852 8.540 1.00 72.21 H new ATOM 0 HB2 ASN A 79 0.924 10.754 7.483 1.00 3.11 H new ATOM 0 HB3 ASN A 79 0.372 11.189 9.089 1.00 3.11 H new ATOM 0 HD21 ASN A 79 4.460 10.794 8.624 1.00 44.44 H new ATOM 0 HD22 ASN A 79 3.364 9.551 8.010 1.00 44.44 H new ATOM 1212 N GLU A 80 2.543 7.292 8.673 1.00 12.01 N ATOM 1213 CA GLU A 80 3.344 6.328 7.933 1.00 21.11 C ATOM 1214 C GLU A 80 2.491 5.093 7.674 1.00 64.54 C ATOM 1215 O GLU A 80 1.922 4.510 8.596 1.00 3.13 O ATOM 1216 CB GLU A 80 4.650 5.979 8.663 1.00 2.05 C ATOM 1217 CG GLU A 80 5.650 7.142 8.607 1.00 45.30 C ATOM 1218 CD GLU A 80 7.073 6.781 9.042 1.00 2.14 C ATOM 1219 OE1 GLU A 80 7.311 5.691 9.611 1.00 63.50 O ATOM 1220 OE2 GLU A 80 7.984 7.594 8.752 1.00 31.14 O ATOM 0 H GLU A 80 2.620 7.211 9.687 1.00 12.01 H new ATOM 0 HA GLU A 80 3.648 6.767 6.983 1.00 21.11 H new ATOM 0 HB2 GLU A 80 4.433 5.733 9.703 1.00 2.05 H new ATOM 0 HB3 GLU A 80 5.095 5.092 8.212 1.00 2.05 H new ATOM 0 HG2 GLU A 80 5.682 7.527 7.588 1.00 45.30 H new ATOM 0 HG3 GLU A 80 5.284 7.949 9.241 1.00 45.30 H new ATOM 1227 N LEU A 81 2.421 4.687 6.409 1.00 50.21 N ATOM 1228 CA LEU A 81 1.953 3.388 5.957 1.00 24.21 C ATOM 1229 C LEU A 81 3.191 2.607 5.566 1.00 12.02 C ATOM 1230 O LEU A 81 4.092 3.131 4.908 1.00 41.41 O ATOM 1231 CB LEU A 81 1.013 3.579 4.765 1.00 5.24 C ATOM 1232 CG LEU A 81 0.409 2.322 4.112 1.00 3.13 C ATOM 1233 CD1 LEU A 81 1.254 1.789 2.957 1.00 21.52 C ATOM 1234 CD2 LEU A 81 0.036 1.195 5.072 1.00 25.50 C ATOM 0 H LEU A 81 2.704 5.289 5.636 1.00 50.21 H new ATOM 0 HA LEU A 81 1.396 2.854 6.727 1.00 24.21 H new ATOM 0 HB2 LEU A 81 0.190 4.216 5.088 1.00 5.24 H new ATOM 0 HB3 LEU A 81 1.557 4.127 3.995 1.00 5.24 H new ATOM 0 HG LEU A 81 -0.537 2.687 3.712 1.00 3.13 H new ATOM 0 HD11 LEU A 81 0.778 0.903 2.537 1.00 21.52 H new ATOM 0 HD12 LEU A 81 1.341 2.555 2.186 1.00 21.52 H new ATOM 0 HD13 LEU A 81 2.247 1.528 3.323 1.00 21.52 H new ATOM 0 HD21 LEU A 81 -0.380 0.360 4.508 1.00 25.50 H new ATOM 0 HD22 LEU A 81 0.926 0.864 5.608 1.00 25.50 H new ATOM 0 HD23 LEU A 81 -0.705 1.555 5.786 1.00 25.50 H new ATOM 1246 N LYS A 82 3.270 1.363 6.012 1.00 51.30 N ATOM 1247 CA LYS A 82 4.392 0.491 5.741 1.00 2.02 C ATOM 1248 C LYS A 82 3.845 -0.908 5.534 1.00 2.25 C ATOM 1249 O LYS A 82 2.869 -1.296 6.189 1.00 61.41 O ATOM 1250 CB LYS A 82 5.423 0.510 6.883 1.00 42.43 C ATOM 1251 CG LYS A 82 5.500 1.745 7.795 1.00 2.31 C ATOM 1252 CD LYS A 82 4.338 1.959 8.780 1.00 1.43 C ATOM 1253 CE LYS A 82 4.746 2.850 9.956 1.00 33.54 C ATOM 1254 NZ LYS A 82 5.507 2.122 10.988 1.00 73.33 N ATOM 0 H LYS A 82 2.543 0.928 6.581 1.00 51.30 H new ATOM 0 HA LYS A 82 4.916 0.837 4.850 1.00 2.02 H new ATOM 0 HB2 LYS A 82 5.229 -0.356 7.516 1.00 42.43 H new ATOM 0 HB3 LYS A 82 6.408 0.366 6.440 1.00 42.43 H new ATOM 0 HG2 LYS A 82 6.424 1.685 8.369 1.00 2.31 H new ATOM 0 HG3 LYS A 82 5.575 2.629 7.162 1.00 2.31 H new ATOM 0 HD2 LYS A 82 3.496 2.412 8.256 1.00 1.43 H new ATOM 0 HD3 LYS A 82 3.998 0.994 9.156 1.00 1.43 H new ATOM 0 HE2 LYS A 82 5.348 3.680 9.585 1.00 33.54 H new ATOM 0 HE3 LYS A 82 3.852 3.281 10.407 1.00 33.54 H new ATOM 0 HZ1 LYS A 82 5.452 2.639 11.889 1.00 73.33 H new ATOM 0 HZ2 LYS A 82 5.105 1.171 11.109 1.00 73.33 H new ATOM 0 HZ3 LYS A 82 6.502 2.043 10.695 1.00 73.33 H new ATOM 1268 N VAL A 83 4.501 -1.660 4.664 1.00 20.41 N ATOM 1269 CA VAL A 83 4.101 -2.997 4.279 1.00 4.43 C ATOM 1270 C VAL A 83 5.358 -3.843 4.116 1.00 33.52 C ATOM 1271 O VAL A 83 6.330 -3.395 3.497 1.00 73.51 O ATOM 1272 CB VAL A 83 3.173 -2.936 3.041 1.00 60.10 C ATOM 1273 CG1 VAL A 83 3.653 -1.974 1.943 1.00 50.33 C ATOM 1274 CG2 VAL A 83 2.968 -4.306 2.384 1.00 32.42 C ATOM 0 H VAL A 83 5.350 -1.344 4.195 1.00 20.41 H new ATOM 0 HA VAL A 83 3.500 -3.485 5.046 1.00 4.43 H new ATOM 0 HB VAL A 83 2.235 -2.566 3.455 1.00 60.10 H new ATOM 0 HG11 VAL A 83 2.948 -1.990 1.112 1.00 50.33 H new ATOM 0 HG12 VAL A 83 3.715 -0.963 2.347 1.00 50.33 H new ATOM 0 HG13 VAL A 83 4.636 -2.285 1.591 1.00 50.33 H new ATOM 0 HG21 VAL A 83 2.309 -4.201 1.522 1.00 32.42 H new ATOM 0 HG22 VAL A 83 3.930 -4.701 2.059 1.00 32.42 H new ATOM 0 HG23 VAL A 83 2.519 -4.991 3.103 1.00 32.42 H new ATOM 1284 N ILE A 84 5.333 -5.054 4.678 1.00 33.14 N ATOM 1285 CA ILE A 84 6.342 -6.085 4.447 1.00 33.21 C ATOM 1286 C ILE A 84 5.676 -7.222 3.669 1.00 72.40 C ATOM 1287 O ILE A 84 4.483 -7.492 3.821 1.00 20.42 O ATOM 1288 CB ILE A 84 6.966 -6.553 5.785 1.00 55.01 C ATOM 1289 CG1 ILE A 84 7.745 -5.417 6.478 1.00 0.31 C ATOM 1290 CG2 ILE A 84 7.952 -7.720 5.595 1.00 62.31 C ATOM 1291 CD1 ILE A 84 7.698 -5.527 8.002 1.00 42.14 C ATOM 0 H ILE A 84 4.596 -5.349 5.318 1.00 33.14 H new ATOM 0 HA ILE A 84 7.172 -5.695 3.857 1.00 33.21 H new ATOM 0 HB ILE A 84 6.122 -6.872 6.396 1.00 55.01 H new ATOM 0 HG12 ILE A 84 8.783 -5.436 6.146 1.00 0.31 H new ATOM 0 HG13 ILE A 84 7.331 -4.456 6.172 1.00 0.31 H new ATOM 0 HG21 ILE A 84 8.362 -8.011 6.562 1.00 62.31 H new ATOM 0 HG22 ILE A 84 7.431 -8.568 5.152 1.00 62.31 H new ATOM 0 HG23 ILE A 84 8.763 -7.408 4.936 1.00 62.31 H new ATOM 0 HD11 ILE A 84 8.261 -4.705 8.444 1.00 42.14 H new ATOM 0 HD12 ILE A 84 6.662 -5.480 8.338 1.00 42.14 H new ATOM 0 HD13 ILE A 84 8.137 -6.475 8.312 1.00 42.14 H new ATOM 1303 N ILE A 85 6.467 -7.892 2.833 1.00 15.33 N ATOM 1304 CA ILE A 85 6.051 -8.994 1.976 1.00 64.44 C ATOM 1305 C ILE A 85 7.043 -10.133 2.213 1.00 43.42 C ATOM 1306 O ILE A 85 8.250 -9.880 2.232 1.00 61.20 O ATOM 1307 CB ILE A 85 6.039 -8.531 0.501 1.00 55.34 C ATOM 1308 CG1 ILE A 85 5.282 -7.189 0.361 1.00 15.12 C ATOM 1309 CG2 ILE A 85 5.422 -9.625 -0.391 1.00 13.31 C ATOM 1310 CD1 ILE A 85 5.273 -6.610 -1.046 1.00 13.12 C ATOM 0 H ILE A 85 7.457 -7.670 2.732 1.00 15.33 H new ATOM 0 HA ILE A 85 5.041 -9.333 2.206 1.00 64.44 H new ATOM 0 HB ILE A 85 7.064 -8.366 0.170 1.00 55.34 H new ATOM 0 HG12 ILE A 85 4.252 -7.332 0.687 1.00 15.12 H new ATOM 0 HG13 ILE A 85 5.732 -6.461 1.036 1.00 15.12 H new ATOM 0 HG21 ILE A 85 5.418 -9.289 -1.428 1.00 13.31 H new ATOM 0 HG22 ILE A 85 6.011 -10.538 -0.307 1.00 13.31 H new ATOM 0 HG23 ILE A 85 4.399 -9.823 -0.070 1.00 13.31 H new ATOM 0 HD11 ILE A 85 4.721 -5.670 -1.049 1.00 13.12 H new ATOM 0 HD12 ILE A 85 6.297 -6.430 -1.372 1.00 13.12 H new ATOM 0 HD13 ILE A 85 4.795 -7.315 -1.726 1.00 13.12 H new ATOM 1322 N ASN A 86 6.548 -11.360 2.403 1.00 43.31 N ATOM 1323 CA ASN A 86 7.407 -12.526 2.583 1.00 12.12 C ATOM 1324 C ASN A 86 8.100 -12.862 1.269 1.00 12.41 C ATOM 1325 O ASN A 86 7.618 -12.539 0.182 1.00 1.13 O ATOM 1326 CB ASN A 86 6.638 -13.799 3.000 1.00 55.21 C ATOM 1327 CG ASN A 86 5.974 -13.830 4.368 1.00 12.22 C ATOM 1328 OD1 ASN A 86 5.323 -14.819 4.707 1.00 20.31 O ATOM 1329 ND2 ASN A 86 6.086 -12.800 5.180 1.00 1.11 N ATOM 0 H ASN A 86 5.550 -11.568 2.436 1.00 43.31 H new ATOM 0 HA ASN A 86 8.105 -12.254 3.375 1.00 12.12 H new ATOM 0 HB2 ASN A 86 5.866 -13.980 2.252 1.00 55.21 H new ATOM 0 HB3 ASN A 86 7.333 -14.637 2.950 1.00 55.21 H new ATOM 0 HD21 ASN A 86 5.633 -12.819 6.094 1.00 1.11 H new ATOM 0 HD22 ASN A 86 6.626 -11.983 4.896 1.00 1.11 H new ATOM 1336 N ARG A 87 9.165 -13.648 1.372 1.00 2.34 N ATOM 1337 CA ARG A 87 9.735 -14.407 0.274 1.00 63.12 C ATOM 1338 C ARG A 87 8.725 -15.448 -0.213 1.00 72.10 C ATOM 1339 O ARG A 87 8.012 -16.064 0.587 1.00 22.42 O ATOM 1340 CB ARG A 87 11.072 -14.984 0.774 1.00 61.40 C ATOM 1341 CG ARG A 87 11.724 -15.980 -0.187 1.00 2.15 C ATOM 1342 CD ARG A 87 11.260 -17.409 0.097 1.00 2.03 C ATOM 1343 NE ARG A 87 12.387 -18.264 0.490 1.00 52.34 N ATOM 1344 CZ ARG A 87 12.872 -19.293 -0.210 1.00 41.43 C ATOM 1345 NH1 ARG A 87 12.301 -19.671 -1.354 1.00 35.21 N ATOM 1346 NH2 ARG A 87 13.934 -19.934 0.261 1.00 44.44 N ATOM 0 H ARG A 87 9.668 -13.776 2.250 1.00 2.34 H new ATOM 0 HA ARG A 87 9.947 -13.795 -0.603 1.00 63.12 H new ATOM 0 HB2 ARG A 87 11.765 -14.162 0.953 1.00 61.40 H new ATOM 0 HB3 ARG A 87 10.907 -15.476 1.732 1.00 61.40 H new ATOM 0 HG2 ARG A 87 11.477 -15.712 -1.214 1.00 2.15 H new ATOM 0 HG3 ARG A 87 12.808 -15.922 -0.094 1.00 2.15 H new ATOM 0 HD2 ARG A 87 10.512 -17.401 0.890 1.00 2.03 H new ATOM 0 HD3 ARG A 87 10.779 -17.821 -0.790 1.00 2.03 H new ATOM 0 HE ARG A 87 12.841 -18.053 1.379 1.00 52.34 H new ATOM 0 HH11 ARG A 87 11.483 -19.173 -1.705 1.00 35.21 H new ATOM 0 HH12 ARG A 87 12.682 -20.459 -1.878 1.00 35.21 H new ATOM 0 HH21 ARG A 87 14.361 -19.638 1.139 1.00 44.44 H new ATOM 0 HH22 ARG A 87 14.324 -20.723 -0.255 1.00 44.44 H new ATOM 1360 N ASN A 88 8.660 -15.650 -1.525 1.00 75.22 N ATOM 1361 CA ASN A 88 7.839 -16.629 -2.220 1.00 64.11 C ATOM 1362 C ASN A 88 8.514 -17.990 -2.140 1.00 35.11 C ATOM 1363 O ASN A 88 9.608 -18.181 -2.661 1.00 61.33 O ATOM 1364 CB ASN A 88 7.655 -16.230 -3.696 1.00 34.25 C ATOM 1365 CG ASN A 88 6.650 -17.106 -4.437 1.00 12.31 C ATOM 1366 OD1 ASN A 88 6.165 -18.117 -3.931 1.00 43.34 O ATOM 1367 ND2 ASN A 88 6.299 -16.722 -5.651 1.00 35.32 N ATOM 0 H ASN A 88 9.219 -15.095 -2.173 1.00 75.22 H new ATOM 0 HA ASN A 88 6.858 -16.670 -1.747 1.00 64.11 H new ATOM 0 HB2 ASN A 88 7.328 -15.191 -3.746 1.00 34.25 H new ATOM 0 HB3 ASN A 88 8.618 -16.286 -4.203 1.00 34.25 H new ATOM 0 HD21 ASN A 88 5.618 -17.266 -6.181 1.00 35.32 H new ATOM 0 HD22 ASN A 88 6.709 -15.882 -6.059 1.00 35.32 H new ATOM 1374 N GLU A 89 7.890 -18.945 -1.467 1.00 74.31 N ATOM 1375 CA GLU A 89 8.405 -20.304 -1.324 1.00 21.13 C ATOM 1376 C GLU A 89 7.854 -21.248 -2.412 1.00 3.23 C ATOM 1377 O GLU A 89 7.910 -22.466 -2.255 1.00 42.14 O ATOM 1378 CB GLU A 89 8.105 -20.794 0.102 1.00 33.55 C ATOM 1379 CG GLU A 89 6.598 -20.810 0.386 1.00 3.32 C ATOM 1380 CD GLU A 89 6.242 -21.588 1.644 1.00 22.22 C ATOM 1381 OE1 GLU A 89 6.503 -22.816 1.686 1.00 33.45 O ATOM 1382 OE2 GLU A 89 5.552 -21.016 2.517 1.00 11.34 O ATOM 0 H GLU A 89 6.997 -18.798 -0.996 1.00 74.31 H new ATOM 0 HA GLU A 89 9.485 -20.304 -1.472 1.00 21.13 H new ATOM 0 HB2 GLU A 89 8.512 -21.796 0.237 1.00 33.55 H new ATOM 0 HB3 GLU A 89 8.605 -20.147 0.823 1.00 33.55 H new ATOM 0 HG2 GLU A 89 6.241 -19.785 0.485 1.00 3.32 H new ATOM 0 HG3 GLU A 89 6.077 -21.248 -0.466 1.00 3.32 H new ATOM 1389 N THR A 90 7.264 -20.719 -3.489 1.00 35.24 N ATOM 1390 CA THR A 90 6.642 -21.518 -4.538 1.00 4.12 C ATOM 1391 C THR A 90 7.021 -21.030 -5.941 1.00 11.11 C ATOM 1392 O THR A 90 7.476 -19.906 -6.155 1.00 15.32 O ATOM 1393 CB THR A 90 5.115 -21.560 -4.343 1.00 52.01 C ATOM 1394 OG1 THR A 90 4.545 -20.273 -4.270 1.00 20.15 O ATOM 1395 CG2 THR A 90 4.670 -22.310 -3.089 1.00 2.14 C ATOM 0 H THR A 90 7.207 -19.714 -3.654 1.00 35.24 H new ATOM 0 HA THR A 90 7.027 -22.534 -4.454 1.00 4.12 H new ATOM 0 HB THR A 90 4.764 -22.092 -5.227 1.00 52.01 H new ATOM 0 HG1 THR A 90 5.257 -19.599 -4.275 1.00 20.15 H new ATOM 0 HG21 THR A 90 3.582 -22.295 -3.023 1.00 2.14 H new ATOM 0 HG22 THR A 90 5.016 -23.342 -3.140 1.00 2.14 H new ATOM 0 HG23 THR A 90 5.094 -21.829 -2.208 1.00 2.14 H new ATOM 1403 N ASN A 91 6.787 -21.899 -6.923 1.00 12.12 N ATOM 1404 CA ASN A 91 7.178 -21.738 -8.321 1.00 60.42 C ATOM 1405 C ASN A 91 6.262 -20.819 -9.142 1.00 54.04 C ATOM 1406 O ASN A 91 6.505 -20.685 -10.340 1.00 3.41 O ATOM 1407 CB ASN A 91 7.281 -23.124 -8.989 1.00 14.25 C ATOM 1408 CG ASN A 91 5.916 -23.747 -9.244 1.00 53.11 C ATOM 1409 OD1 ASN A 91 5.354 -23.656 -10.330 1.00 0.33 O ATOM 1410 ND2 ASN A 91 5.330 -24.386 -8.250 1.00 73.12 N ATOM 0 H ASN A 91 6.296 -22.777 -6.756 1.00 12.12 H new ATOM 0 HA ASN A 91 8.147 -21.239 -8.308 1.00 60.42 H new ATOM 0 HB2 ASN A 91 7.817 -23.030 -9.933 1.00 14.25 H new ATOM 0 HB3 ASN A 91 7.868 -23.788 -8.354 1.00 14.25 H new ATOM 0 HD21 ASN A 91 4.410 -24.804 -8.385 1.00 73.12 H new ATOM 0 HD22 ASN A 91 5.797 -24.462 -7.347 1.00 73.12 H new ATOM 1417 N ALA A 92 5.253 -20.172 -8.544 1.00 3.21 N ATOM 1418 CA ALA A 92 4.263 -19.359 -9.254 1.00 33.31 C ATOM 1419 C ALA A 92 4.230 -17.930 -8.705 1.00 65.30 C ATOM 1420 O ALA A 92 4.313 -17.734 -7.491 1.00 43.34 O ATOM 1421 CB ALA A 92 2.885 -20.020 -9.116 1.00 11.04 C ATOM 0 H ALA A 92 5.101 -20.201 -7.536 1.00 3.21 H new ATOM 0 HA ALA A 92 4.538 -19.300 -10.307 1.00 33.31 H new ATOM 0 HB1 ALA A 92 2.140 -19.422 -9.641 1.00 11.04 H new ATOM 0 HB2 ALA A 92 2.917 -21.021 -9.547 1.00 11.04 H new ATOM 0 HB3 ALA A 92 2.618 -20.087 -8.061 1.00 11.04 H new ATOM 1427 N SER A 93 4.075 -16.942 -9.581 1.00 74.24 N ATOM 1428 CA SER A 93 3.892 -15.531 -9.339 1.00 5.42 C ATOM 1429 C SER A 93 2.452 -15.059 -9.135 1.00 24.11 C ATOM 1430 O SER A 93 1.485 -15.706 -9.552 1.00 12.15 O ATOM 1431 CB SER A 93 4.621 -14.856 -10.490 1.00 14.11 C ATOM 1432 OG SER A 93 3.820 -14.609 -11.619 1.00 51.13 O ATOM 0 H SER A 93 4.076 -17.141 -10.581 1.00 74.24 H new ATOM 0 HA SER A 93 4.304 -15.255 -8.368 1.00 5.42 H new ATOM 0 HB2 SER A 93 5.034 -13.910 -10.138 1.00 14.11 H new ATOM 0 HB3 SER A 93 5.464 -15.481 -10.787 1.00 14.11 H new ATOM 0 HG SER A 93 4.358 -14.173 -12.313 1.00 51.13 H new ATOM 1438 N ARG A 94 2.330 -13.913 -8.467 1.00 12.22 N ATOM 1439 CA ARG A 94 1.060 -13.396 -7.931 1.00 4.23 C ATOM 1440 C ARG A 94 1.072 -11.864 -7.869 1.00 23.15 C ATOM 1441 O ARG A 94 2.107 -11.256 -8.133 1.00 10.33 O ATOM 1442 CB ARG A 94 0.752 -14.054 -6.566 1.00 2.02 C ATOM 1443 CG ARG A 94 1.950 -14.187 -5.607 1.00 11.45 C ATOM 1444 CD ARG A 94 2.797 -15.456 -5.792 1.00 11.42 C ATOM 1445 NE ARG A 94 3.023 -16.140 -4.507 1.00 63.50 N ATOM 1446 CZ ARG A 94 2.974 -17.455 -4.262 1.00 15.43 C ATOM 1447 NH1 ARG A 94 2.823 -18.336 -5.242 1.00 0.03 N ATOM 1448 NH2 ARG A 94 3.110 -17.882 -3.012 1.00 52.10 N ATOM 0 H ARG A 94 3.124 -13.301 -8.276 1.00 12.22 H new ATOM 0 HA ARG A 94 0.248 -13.665 -8.607 1.00 4.23 H new ATOM 0 HB2 ARG A 94 -0.025 -13.473 -6.070 1.00 2.02 H new ATOM 0 HB3 ARG A 94 0.341 -15.047 -6.746 1.00 2.02 H new ATOM 0 HG2 ARG A 94 2.595 -13.317 -5.733 1.00 11.45 H new ATOM 0 HG3 ARG A 94 1.579 -14.163 -4.582 1.00 11.45 H new ATOM 0 HD2 ARG A 94 2.296 -16.133 -6.484 1.00 11.42 H new ATOM 0 HD3 ARG A 94 3.755 -15.194 -6.241 1.00 11.42 H new ATOM 0 HE ARG A 94 3.243 -15.541 -3.711 1.00 63.50 H new ATOM 0 HH11 ARG A 94 2.741 -18.016 -6.207 1.00 0.03 H new ATOM 0 HH12 ARG A 94 2.789 -19.333 -5.030 1.00 0.03 H new ATOM 0 HH21 ARG A 94 3.249 -17.211 -2.256 1.00 52.10 H new ATOM 0 HH22 ARG A 94 3.075 -18.881 -2.808 1.00 52.10 H new ATOM 1462 N SER A 95 -0.043 -11.211 -7.524 1.00 74.11 N ATOM 1463 CA SER A 95 -0.070 -9.763 -7.307 1.00 23.25 C ATOM 1464 C SER A 95 -1.092 -9.356 -6.253 1.00 51.23 C ATOM 1465 O SER A 95 -2.040 -10.083 -5.961 1.00 22.44 O ATOM 1466 CB SER A 95 -0.330 -8.963 -8.595 1.00 64.50 C ATOM 1467 OG SER A 95 -0.971 -9.694 -9.625 1.00 33.25 O ATOM 0 H SER A 95 -0.945 -11.668 -7.389 1.00 74.11 H new ATOM 0 HA SER A 95 0.930 -9.518 -6.950 1.00 23.25 H new ATOM 0 HB2 SER A 95 -0.941 -8.094 -8.350 1.00 64.50 H new ATOM 0 HB3 SER A 95 0.621 -8.588 -8.972 1.00 64.50 H new ATOM 0 HG SER A 95 -1.101 -9.115 -10.405 1.00 33.25 H new ATOM 1473 N PHE A 96 -0.901 -8.147 -5.738 1.00 33.53 N ATOM 1474 CA PHE A 96 -1.608 -7.533 -4.642 1.00 65.20 C ATOM 1475 C PHE A 96 -2.183 -6.181 -5.081 1.00 72.54 C ATOM 1476 O PHE A 96 -1.821 -5.625 -6.125 1.00 11.14 O ATOM 1477 CB PHE A 96 -0.609 -7.366 -3.483 1.00 65.51 C ATOM 1478 CG PHE A 96 -0.919 -8.202 -2.275 1.00 51.32 C ATOM 1479 CD1 PHE A 96 -1.742 -7.687 -1.261 1.00 14.35 C ATOM 1480 CD2 PHE A 96 -0.381 -9.490 -2.171 1.00 51.33 C ATOM 1481 CE1 PHE A 96 -2.099 -8.482 -0.161 1.00 44.30 C ATOM 1482 CE2 PHE A 96 -0.718 -10.276 -1.052 1.00 51.12 C ATOM 1483 CZ PHE A 96 -1.597 -9.788 -0.070 1.00 23.13 C ATOM 0 H PHE A 96 -0.185 -7.526 -6.115 1.00 33.53 H new ATOM 0 HA PHE A 96 -2.446 -8.151 -4.320 1.00 65.20 H new ATOM 0 HB2 PHE A 96 0.389 -7.620 -3.840 1.00 65.51 H new ATOM 0 HB3 PHE A 96 -0.585 -6.317 -3.188 1.00 65.51 H new ATOM 0 HD1 PHE A 96 -2.103 -6.671 -1.328 1.00 14.35 H new ATOM 0 HD2 PHE A 96 0.280 -9.874 -2.934 1.00 51.33 H new ATOM 0 HE1 PHE A 96 -2.752 -8.093 0.606 1.00 44.30 H new ATOM 0 HE2 PHE A 96 -0.296 -11.265 -0.947 1.00 51.12 H new ATOM 0 HZ PHE A 96 -1.886 -10.420 0.756 1.00 23.13 H new ATOM 1493 N THR A 97 -3.067 -5.608 -4.269 1.00 43.00 N ATOM 1494 CA THR A 97 -3.395 -4.187 -4.317 1.00 34.51 C ATOM 1495 C THR A 97 -3.671 -3.727 -2.889 1.00 63.35 C ATOM 1496 O THR A 97 -4.432 -4.366 -2.158 1.00 24.12 O ATOM 1497 CB THR A 97 -4.586 -3.908 -5.242 1.00 21.42 C ATOM 1498 OG1 THR A 97 -4.344 -4.465 -6.518 1.00 10.02 O ATOM 1499 CG2 THR A 97 -4.870 -2.420 -5.422 1.00 54.41 C ATOM 0 H THR A 97 -3.580 -6.122 -3.553 1.00 43.00 H new ATOM 0 HA THR A 97 -2.558 -3.627 -4.735 1.00 34.51 H new ATOM 0 HB THR A 97 -5.454 -4.363 -4.766 1.00 21.42 H new ATOM 0 HG1 THR A 97 -3.419 -4.784 -6.566 1.00 10.02 H new ATOM 0 HG21 THR A 97 -5.724 -2.290 -6.087 1.00 54.41 H new ATOM 0 HG22 THR A 97 -5.093 -1.972 -4.454 1.00 54.41 H new ATOM 0 HG23 THR A 97 -3.996 -1.932 -5.854 1.00 54.41 H new ATOM 1507 N VAL A 98 -3.049 -2.620 -2.506 1.00 2.00 N ATOM 1508 CA VAL A 98 -3.228 -1.867 -1.282 1.00 42.41 C ATOM 1509 C VAL A 98 -3.938 -0.612 -1.759 1.00 30.44 C ATOM 1510 O VAL A 98 -3.429 0.055 -2.655 1.00 23.43 O ATOM 1511 CB VAL A 98 -1.833 -1.569 -0.682 1.00 12.12 C ATOM 1512 CG1 VAL A 98 -1.807 -0.484 0.401 1.00 23.13 C ATOM 1513 CG2 VAL A 98 -1.233 -2.827 -0.047 1.00 73.54 C ATOM 0 H VAL A 98 -2.342 -2.191 -3.103 1.00 2.00 H new ATOM 0 HA VAL A 98 -3.793 -2.373 -0.500 1.00 42.41 H new ATOM 0 HB VAL A 98 -1.259 -1.212 -1.537 1.00 12.12 H new ATOM 0 HG11 VAL A 98 -0.786 -0.350 0.757 1.00 23.13 H new ATOM 0 HG12 VAL A 98 -2.172 0.455 -0.016 1.00 23.13 H new ATOM 0 HG13 VAL A 98 -2.444 -0.785 1.233 1.00 23.13 H new ATOM 0 HG21 VAL A 98 -0.253 -2.593 0.368 1.00 73.54 H new ATOM 0 HG22 VAL A 98 -1.889 -3.181 0.749 1.00 73.54 H new ATOM 0 HG23 VAL A 98 -1.130 -3.604 -0.805 1.00 73.54 H new ATOM 1523 N CYS A 99 -5.108 -0.295 -1.213 1.00 3.01 N ATOM 1524 CA CYS A 99 -5.648 1.053 -1.336 1.00 63.55 C ATOM 1525 C CYS A 99 -5.951 1.573 0.048 1.00 3.03 C ATOM 1526 O CYS A 99 -6.280 0.789 0.944 1.00 21.34 O ATOM 1527 CB CYS A 99 -6.903 1.059 -2.205 1.00 4.14 C ATOM 1528 SG CYS A 99 -7.361 2.738 -2.680 1.00 62.21 S ATOM 0 H CYS A 99 -5.693 -0.944 -0.688 1.00 3.01 H new ATOM 0 HA CYS A 99 -4.916 1.700 -1.821 1.00 63.55 H new ATOM 0 HB2 CYS A 99 -6.732 0.459 -3.099 1.00 4.14 H new ATOM 0 HB3 CYS A 99 -7.726 0.595 -1.662 1.00 4.14 H new ATOM 0 HG CYS A 99 -6.342 3.528 -2.518 1.00 62.21 H new ATOM 1534 N VAL A 100 -5.887 2.890 0.184 1.00 51.35 N ATOM 1535 CA VAL A 100 -6.276 3.602 1.391 1.00 41.25 C ATOM 1536 C VAL A 100 -7.310 4.678 1.063 1.00 24.13 C ATOM 1537 O VAL A 100 -7.465 5.038 -0.102 1.00 50.03 O ATOM 1538 CB VAL A 100 -5.025 4.158 2.103 1.00 24.14 C ATOM 1539 CG1 VAL A 100 -4.212 3.004 2.701 1.00 5.20 C ATOM 1540 CG2 VAL A 100 -4.108 5.015 1.214 1.00 52.31 C ATOM 0 H VAL A 100 -5.556 3.506 -0.559 1.00 51.35 H new ATOM 0 HA VAL A 100 -6.756 2.915 2.088 1.00 41.25 H new ATOM 0 HB VAL A 100 -5.403 4.823 2.880 1.00 24.14 H new ATOM 0 HG11 VAL A 100 -3.330 3.402 3.203 1.00 5.20 H new ATOM 0 HG12 VAL A 100 -4.825 2.462 3.421 1.00 5.20 H new ATOM 0 HG13 VAL A 100 -3.902 2.327 1.905 1.00 5.20 H new ATOM 0 HG21 VAL A 100 -3.256 5.362 1.798 1.00 52.31 H new ATOM 0 HG22 VAL A 100 -3.753 4.417 0.374 1.00 52.31 H new ATOM 0 HG23 VAL A 100 -4.664 5.874 0.838 1.00 52.31 H new ATOM 1550 N GLU A 101 -8.006 5.211 2.066 1.00 62.55 N ATOM 1551 CA GLU A 101 -8.773 6.445 1.962 1.00 54.45 C ATOM 1552 C GLU A 101 -8.466 7.285 3.202 1.00 62.24 C ATOM 1553 O GLU A 101 -8.331 6.746 4.300 1.00 14.01 O ATOM 1554 CB GLU A 101 -10.277 6.151 1.810 1.00 25.52 C ATOM 1555 CG GLU A 101 -11.088 7.391 1.391 1.00 41.21 C ATOM 1556 CD GLU A 101 -12.600 7.202 1.506 1.00 72.34 C ATOM 1557 OE1 GLU A 101 -13.126 6.221 0.932 1.00 44.44 O ATOM 1558 OE2 GLU A 101 -13.265 8.037 2.157 1.00 50.31 O ATOM 0 H GLU A 101 -8.051 4.786 2.992 1.00 62.55 H new ATOM 0 HA GLU A 101 -8.489 7.002 1.069 1.00 54.45 H new ATOM 0 HB2 GLU A 101 -10.416 5.364 1.068 1.00 25.52 H new ATOM 0 HB3 GLU A 101 -10.665 5.771 2.755 1.00 25.52 H new ATOM 0 HG2 GLU A 101 -10.788 8.237 2.010 1.00 41.21 H new ATOM 0 HG3 GLU A 101 -10.840 7.646 0.361 1.00 41.21 H new ATOM 1565 N ALA A 102 -8.350 8.595 3.002 1.00 14.20 N ATOM 1566 CA ALA A 102 -8.085 9.646 3.971 1.00 72.21 C ATOM 1567 C ALA A 102 -9.311 10.573 4.092 1.00 2.23 C ATOM 1568 O ALA A 102 -9.181 11.765 4.374 1.00 73.44 O ATOM 1569 CB ALA A 102 -6.817 10.396 3.528 1.00 10.01 C ATOM 0 H ALA A 102 -8.450 8.981 2.063 1.00 14.20 H new ATOM 0 HA ALA A 102 -7.911 9.231 4.964 1.00 72.21 H new ATOM 0 HB1 ALA A 102 -6.597 11.191 4.240 1.00 10.01 H new ATOM 0 HB2 ALA A 102 -5.978 9.701 3.489 1.00 10.01 H new ATOM 0 HB3 ALA A 102 -6.976 10.828 2.540 1.00 10.01 H new ATOM 1575 N GLY A 103 -10.508 10.059 3.797 1.00 62.25 N ATOM 1576 CA GLY A 103 -11.762 10.794 3.744 1.00 63.14 C ATOM 1577 C GLY A 103 -11.847 11.645 2.489 1.00 50.34 C ATOM 1578 O GLY A 103 -12.605 11.329 1.569 1.00 42.35 O ATOM 0 H GLY A 103 -10.628 9.070 3.579 1.00 62.25 H new ATOM 0 HA2 GLY A 103 -12.598 10.095 3.770 1.00 63.14 H new ATOM 0 HA3 GLY A 103 -11.851 11.430 4.625 1.00 63.14 H new ATOM 1582 N ASN A 104 -11.067 12.722 2.433 1.00 73.11 N ATOM 1583 CA ASN A 104 -11.018 13.619 1.282 1.00 14.04 C ATOM 1584 C ASN A 104 -9.849 13.255 0.369 1.00 63.14 C ATOM 1585 O ASN A 104 -9.364 14.127 -0.334 1.00 74.54 O ATOM 1586 CB ASN A 104 -10.946 15.106 1.679 1.00 71.21 C ATOM 1587 CG ASN A 104 -11.978 15.532 2.709 1.00 44.42 C ATOM 1588 OD1 ASN A 104 -11.757 15.397 3.914 1.00 24.21 O ATOM 1589 ND2 ASN A 104 -13.126 16.021 2.280 1.00 24.11 N ATOM 0 H ASN A 104 -10.445 12.999 3.193 1.00 73.11 H new ATOM 0 HA ASN A 104 -11.955 13.484 0.742 1.00 14.04 H new ATOM 0 HB2 ASN A 104 -9.951 15.317 2.071 1.00 71.21 H new ATOM 0 HB3 ASN A 104 -11.072 15.715 0.784 1.00 71.21 H new ATOM 0 HD21 ASN A 104 -13.846 16.294 2.949 1.00 24.11 H new ATOM 0 HD22 ASN A 104 -13.293 16.126 1.279 1.00 24.11 H new ATOM 1596 N ALA A 105 -9.366 12.009 0.351 1.00 11.41 N ATOM 1597 CA ALA A 105 -8.447 11.512 -0.670 1.00 21.13 C ATOM 1598 C ALA A 105 -8.353 9.995 -0.564 1.00 70.43 C ATOM 1599 O ALA A 105 -8.850 9.414 0.398 1.00 5.41 O ATOM 1600 CB ALA A 105 -7.056 12.124 -0.480 1.00 22.42 C ATOM 0 H ALA A 105 -9.607 11.311 1.055 1.00 11.41 H new ATOM 0 HA ALA A 105 -8.823 11.794 -1.654 1.00 21.13 H new ATOM 0 HB1 ALA A 105 -6.383 11.744 -1.248 1.00 22.42 H new ATOM 0 HB2 ALA A 105 -7.122 13.209 -0.560 1.00 22.42 H new ATOM 0 HB3 ALA A 105 -6.672 11.855 0.504 1.00 22.42 H new ATOM 1606 N PHE A 106 -7.682 9.354 -1.517 1.00 72.22 N ATOM 1607 CA PHE A 106 -7.348 7.934 -1.504 1.00 2.40 C ATOM 1608 C PHE A 106 -6.138 7.720 -2.403 1.00 65.24 C ATOM 1609 O PHE A 106 -5.927 8.485 -3.351 1.00 4.02 O ATOM 1610 CB PHE A 106 -8.538 7.093 -1.988 1.00 31.40 C ATOM 1611 CG PHE A 106 -9.309 7.669 -3.151 1.00 74.21 C ATOM 1612 CD1 PHE A 106 -8.917 7.385 -4.470 1.00 25.50 C ATOM 1613 CD2 PHE A 106 -10.415 8.500 -2.904 1.00 34.23 C ATOM 1614 CE1 PHE A 106 -9.618 7.949 -5.549 1.00 63.45 C ATOM 1615 CE2 PHE A 106 -11.102 9.082 -3.979 1.00 3.04 C ATOM 1616 CZ PHE A 106 -10.707 8.804 -5.299 1.00 42.03 C ATOM 0 H PHE A 106 -7.343 9.830 -2.353 1.00 72.22 H new ATOM 0 HA PHE A 106 -7.115 7.617 -0.487 1.00 2.40 H new ATOM 0 HB2 PHE A 106 -8.172 6.106 -2.270 1.00 31.40 H new ATOM 0 HB3 PHE A 106 -9.225 6.952 -1.153 1.00 31.40 H new ATOM 0 HD1 PHE A 106 -8.076 6.733 -4.655 1.00 25.50 H new ATOM 0 HD2 PHE A 106 -10.735 8.690 -1.890 1.00 34.23 H new ATOM 0 HE1 PHE A 106 -9.323 7.728 -6.564 1.00 63.45 H new ATOM 0 HE2 PHE A 106 -11.935 9.744 -3.793 1.00 3.04 H new ATOM 0 HZ PHE A 106 -11.242 9.249 -6.125 1.00 42.03 H new ATOM 1626 N ASP A 107 -5.349 6.680 -2.139 1.00 10.12 N ATOM 1627 CA ASP A 107 -4.202 6.314 -2.966 1.00 70.32 C ATOM 1628 C ASP A 107 -4.119 4.801 -3.024 1.00 32.24 C ATOM 1629 O ASP A 107 -4.501 4.126 -2.066 1.00 10.24 O ATOM 1630 CB ASP A 107 -2.893 6.908 -2.433 1.00 1.24 C ATOM 1631 CG ASP A 107 -1.887 7.180 -3.554 1.00 5.22 C ATOM 1632 OD1 ASP A 107 -1.965 6.561 -4.640 1.00 12.24 O ATOM 1633 OD2 ASP A 107 -1.093 8.132 -3.361 1.00 45.23 O ATOM 0 H ASP A 107 -5.489 6.063 -1.339 1.00 10.12 H new ATOM 0 HA ASP A 107 -4.343 6.725 -3.966 1.00 70.32 H new ATOM 0 HB2 ASP A 107 -3.106 7.837 -1.904 1.00 1.24 H new ATOM 0 HB3 ASP A 107 -2.452 6.222 -1.709 1.00 1.24 H new ATOM 1638 N GLU A 108 -3.654 4.275 -4.148 1.00 41.44 N ATOM 1639 CA GLU A 108 -3.724 2.871 -4.502 1.00 72.54 C ATOM 1640 C GLU A 108 -2.401 2.437 -5.107 1.00 50.13 C ATOM 1641 O GLU A 108 -1.835 3.110 -5.977 1.00 21.42 O ATOM 1642 CB GLU A 108 -4.913 2.662 -5.442 1.00 22.43 C ATOM 1643 CG GLU A 108 -5.122 1.239 -5.958 1.00 62.15 C ATOM 1644 CD GLU A 108 -4.417 1.043 -7.298 1.00 10.42 C ATOM 1645 OE1 GLU A 108 -5.010 1.322 -8.371 1.00 13.42 O ATOM 1646 OE2 GLU A 108 -3.271 0.569 -7.306 1.00 70.51 O ATOM 0 H GLU A 108 -3.200 4.841 -4.865 1.00 41.44 H new ATOM 0 HA GLU A 108 -3.887 2.247 -3.623 1.00 72.54 H new ATOM 0 HB2 GLU A 108 -5.819 2.975 -4.923 1.00 22.43 H new ATOM 0 HB3 GLU A 108 -4.792 3.323 -6.300 1.00 22.43 H new ATOM 0 HG2 GLU A 108 -4.738 0.523 -5.231 1.00 62.15 H new ATOM 0 HG3 GLU A 108 -6.188 1.040 -6.069 1.00 62.15 H new ATOM 1653 N PHE A 109 -1.937 1.293 -4.627 1.00 45.03 N ATOM 1654 CA PHE A 109 -0.652 0.719 -4.951 1.00 51.13 C ATOM 1655 C PHE A 109 -0.813 -0.745 -5.350 1.00 12.24 C ATOM 1656 O PHE A 109 -1.090 -1.593 -4.491 1.00 3.41 O ATOM 1657 CB PHE A 109 0.261 0.851 -3.731 1.00 50.24 C ATOM 1658 CG PHE A 109 0.423 2.255 -3.158 1.00 30.22 C ATOM 1659 CD1 PHE A 109 0.665 3.352 -4.007 1.00 70.32 C ATOM 1660 CD2 PHE A 109 0.349 2.459 -1.763 1.00 10.32 C ATOM 1661 CE1 PHE A 109 0.796 4.640 -3.469 1.00 14.34 C ATOM 1662 CE2 PHE A 109 0.545 3.743 -1.223 1.00 10.22 C ATOM 1663 CZ PHE A 109 0.760 4.833 -2.079 1.00 72.33 C ATOM 0 H PHE A 109 -2.472 0.720 -3.975 1.00 45.03 H new ATOM 0 HA PHE A 109 -0.210 1.247 -5.796 1.00 51.13 H new ATOM 0 HB2 PHE A 109 -0.124 0.202 -2.944 1.00 50.24 H new ATOM 0 HB3 PHE A 109 1.248 0.475 -4.000 1.00 50.24 H new ATOM 0 HD1 PHE A 109 0.750 3.201 -5.073 1.00 70.32 H new ATOM 0 HD2 PHE A 109 0.141 1.626 -1.108 1.00 10.32 H new ATOM 0 HE1 PHE A 109 0.925 5.487 -4.127 1.00 14.34 H new ATOM 0 HE2 PHE A 109 0.530 3.889 -0.153 1.00 10.22 H new ATOM 0 HZ PHE A 109 0.898 5.822 -1.668 1.00 72.33 H new ATOM 1673 N LYS A 110 -0.584 -1.065 -6.625 1.00 51.35 N ATOM 1674 CA LYS A 110 -0.346 -2.441 -7.042 1.00 22.14 C ATOM 1675 C LYS A 110 1.019 -2.873 -6.541 1.00 42.14 C ATOM 1676 O LYS A 110 1.972 -2.097 -6.590 1.00 70.13 O ATOM 1677 CB LYS A 110 -0.395 -2.587 -8.576 1.00 74.40 C ATOM 1678 CG LYS A 110 -1.763 -2.969 -9.159 1.00 45.32 C ATOM 1679 CD LYS A 110 -2.837 -1.912 -8.925 1.00 50.11 C ATOM 1680 CE LYS A 110 -4.086 -2.184 -9.767 1.00 34.30 C ATOM 1681 NZ LYS A 110 -5.161 -1.205 -9.501 1.00 4.44 N ATOM 0 H LYS A 110 -0.559 -0.386 -7.385 1.00 51.35 H new ATOM 0 HA LYS A 110 -1.131 -3.070 -6.621 1.00 22.14 H new ATOM 0 HB2 LYS A 110 -0.079 -1.645 -9.024 1.00 74.40 H new ATOM 0 HB3 LYS A 110 0.332 -3.342 -8.875 1.00 74.40 H new ATOM 0 HG2 LYS A 110 -1.658 -3.139 -10.231 1.00 45.32 H new ATOM 0 HG3 LYS A 110 -2.088 -3.911 -8.717 1.00 45.32 H new ATOM 0 HD2 LYS A 110 -3.106 -1.893 -7.869 1.00 50.11 H new ATOM 0 HD3 LYS A 110 -2.439 -0.927 -9.170 1.00 50.11 H new ATOM 0 HE2 LYS A 110 -3.823 -2.154 -10.824 1.00 34.30 H new ATOM 0 HE3 LYS A 110 -4.452 -3.189 -9.557 1.00 34.30 H new ATOM 0 HZ1 LYS A 110 -5.794 -1.153 -10.324 1.00 4.44 H new ATOM 0 HZ2 LYS A 110 -5.703 -1.503 -8.665 1.00 4.44 H new ATOM 0 HZ3 LYS A 110 -4.743 -0.269 -9.326 1.00 4.44 H new ATOM 1695 N PHE A 111 1.140 -4.129 -6.141 1.00 74.44 N ATOM 1696 CA PHE A 111 2.410 -4.822 -6.042 1.00 65.50 C ATOM 1697 C PHE A 111 2.255 -6.116 -6.836 1.00 74.13 C ATOM 1698 O PHE A 111 1.160 -6.671 -6.939 1.00 2.23 O ATOM 1699 CB PHE A 111 2.765 -5.131 -4.575 1.00 52.00 C ATOM 1700 CG PHE A 111 3.135 -3.969 -3.657 1.00 62.20 C ATOM 1701 CD1 PHE A 111 2.231 -2.929 -3.381 1.00 42.44 C ATOM 1702 CD2 PHE A 111 4.365 -3.975 -2.976 1.00 64.53 C ATOM 1703 CE1 PHE A 111 2.483 -1.998 -2.366 1.00 21.53 C ATOM 1704 CE2 PHE A 111 4.661 -3.007 -2.002 1.00 73.22 C ATOM 1705 CZ PHE A 111 3.705 -2.033 -1.676 1.00 30.52 C ATOM 0 H PHE A 111 0.342 -4.704 -5.872 1.00 74.44 H new ATOM 0 HA PHE A 111 3.218 -4.205 -6.435 1.00 65.50 H new ATOM 0 HB2 PHE A 111 1.915 -5.648 -4.130 1.00 52.00 H new ATOM 0 HB3 PHE A 111 3.600 -5.832 -4.576 1.00 52.00 H new ATOM 0 HD1 PHE A 111 1.325 -2.846 -3.963 1.00 42.44 H new ATOM 0 HD2 PHE A 111 5.095 -4.737 -3.206 1.00 64.53 H new ATOM 0 HE1 PHE A 111 1.740 -1.256 -2.115 1.00 21.53 H new ATOM 0 HE2 PHE A 111 5.620 -3.012 -1.506 1.00 73.22 H new ATOM 0 HZ PHE A 111 3.909 -1.313 -0.897 1.00 30.52 H new ATOM 1715 N VAL A 112 3.354 -6.649 -7.343 1.00 1.01 N ATOM 1716 CA VAL A 112 3.487 -7.995 -7.857 1.00 30.53 C ATOM 1717 C VAL A 112 4.385 -8.776 -6.914 1.00 70.50 C ATOM 1718 O VAL A 112 5.099 -8.170 -6.123 1.00 12.12 O ATOM 1719 CB VAL A 112 4.088 -7.931 -9.269 1.00 61.54 C ATOM 1720 CG1 VAL A 112 3.006 -7.586 -10.285 1.00 71.23 C ATOM 1721 CG2 VAL A 112 5.236 -6.923 -9.420 1.00 25.53 C ATOM 0 H VAL A 112 4.224 -6.121 -7.409 1.00 1.01 H new ATOM 0 HA VAL A 112 2.519 -8.492 -7.919 1.00 30.53 H new ATOM 0 HB VAL A 112 4.504 -8.922 -9.451 1.00 61.54 H new ATOM 0 HG11 VAL A 112 3.444 -7.543 -11.282 1.00 71.23 H new ATOM 0 HG12 VAL A 112 2.229 -8.350 -10.262 1.00 71.23 H new ATOM 0 HG13 VAL A 112 2.571 -6.618 -10.038 1.00 71.23 H new ATOM 0 HG21 VAL A 112 5.603 -6.941 -10.446 1.00 25.53 H new ATOM 0 HG22 VAL A 112 4.876 -5.923 -9.181 1.00 25.53 H new ATOM 0 HG23 VAL A 112 6.046 -7.189 -8.740 1.00 25.53 H new ATOM 1731 N GLN A 113 4.391 -10.100 -6.996 1.00 21.52 N ATOM 1732 CA GLN A 113 5.506 -10.913 -6.545 1.00 10.15 C ATOM 1733 C GLN A 113 5.831 -11.980 -7.579 1.00 50.04 C ATOM 1734 O GLN A 113 4.968 -12.779 -7.950 1.00 13.23 O ATOM 1735 CB GLN A 113 5.176 -11.566 -5.202 1.00 63.42 C ATOM 1736 CG GLN A 113 6.343 -12.452 -4.739 1.00 33.14 C ATOM 1737 CD GLN A 113 6.383 -12.671 -3.237 1.00 72.11 C ATOM 1738 OE1 GLN A 113 5.596 -13.429 -2.687 1.00 33.34 O ATOM 1739 NE2 GLN A 113 7.336 -12.055 -2.563 1.00 54.11 N ATOM 0 H GLN A 113 3.616 -10.641 -7.380 1.00 21.52 H new ATOM 0 HA GLN A 113 6.377 -10.270 -6.418 1.00 10.15 H new ATOM 0 HB2 GLN A 113 4.976 -10.797 -4.456 1.00 63.42 H new ATOM 0 HB3 GLN A 113 4.270 -12.165 -5.294 1.00 63.42 H new ATOM 0 HG2 GLN A 113 6.273 -13.419 -5.237 1.00 33.14 H new ATOM 0 HG3 GLN A 113 7.281 -11.997 -5.056 1.00 33.14 H new ATOM 0 HE21 GLN A 113 7.979 -11.428 -3.047 1.00 54.11 H new ATOM 0 HE22 GLN A 113 7.430 -12.206 -1.559 1.00 54.11 H new ATOM 1748 N ASP A 114 7.090 -11.998 -8.020 1.00 13.45 N ATOM 1749 CA ASP A 114 7.603 -13.026 -8.939 1.00 53.13 C ATOM 1750 C ASP A 114 7.639 -14.439 -8.336 1.00 64.44 C ATOM 1751 O ASP A 114 7.520 -14.623 -7.123 1.00 30.15 O ATOM 1752 CB ASP A 114 8.980 -12.635 -9.497 1.00 24.55 C ATOM 1753 CG ASP A 114 8.837 -12.232 -10.962 1.00 74.41 C ATOM 1754 OD1 ASP A 114 8.439 -11.082 -11.252 1.00 32.22 O ATOM 1755 OD2 ASP A 114 9.018 -13.115 -11.826 1.00 33.52 O ATOM 0 H ASP A 114 7.786 -11.302 -7.752 1.00 13.45 H new ATOM 0 HA ASP A 114 6.887 -13.068 -9.759 1.00 53.13 H new ATOM 0 HB2 ASP A 114 9.397 -11.810 -8.920 1.00 24.55 H new ATOM 0 HB3 ASP A 114 9.673 -13.471 -9.404 1.00 24.55 H new ATOM 1760 N ALA A 115 7.813 -15.449 -9.199 1.00 4.04 N ATOM 1761 CA ALA A 115 7.962 -16.863 -8.848 1.00 5.35 C ATOM 1762 C ALA A 115 9.383 -17.175 -8.373 1.00 24.53 C ATOM 1763 O ALA A 115 10.343 -16.585 -8.876 1.00 10.31 O ATOM 1764 CB ALA A 115 7.690 -17.690 -10.100 1.00 45.02 C ATOM 0 H ALA A 115 7.855 -15.293 -10.206 1.00 4.04 H new ATOM 0 HA ALA A 115 7.266 -17.098 -8.043 1.00 5.35 H new ATOM 0 HB1 ALA A 115 7.795 -18.749 -9.866 1.00 45.02 H new ATOM 0 HB2 ALA A 115 6.677 -17.494 -10.452 1.00 45.02 H new ATOM 0 HB3 ALA A 115 8.404 -17.418 -10.878 1.00 45.02 H new ATOM 1770 N ALA A 116 9.523 -18.137 -7.457 1.00 61.52 N ATOM 1771 CA ALA A 116 10.815 -18.597 -6.980 1.00 42.41 C ATOM 1772 C ALA A 116 11.456 -19.543 -7.988 1.00 22.21 C ATOM 1773 O ALA A 116 11.010 -20.680 -8.180 1.00 0.21 O ATOM 1774 CB ALA A 116 10.667 -19.269 -5.622 1.00 53.13 C ATOM 0 H ALA A 116 8.733 -18.617 -7.027 1.00 61.52 H new ATOM 0 HA ALA A 116 11.471 -17.734 -6.867 1.00 42.41 H new ATOM 0 HB1 ALA A 116 11.643 -19.609 -5.276 1.00 53.13 H new ATOM 0 HB2 ALA A 116 10.256 -18.557 -4.906 1.00 53.13 H new ATOM 0 HB3 ALA A 116 9.995 -20.123 -5.710 1.00 53.13 H new ATOM 1780 N LYS A 117 12.539 -19.077 -8.601 1.00 42.01 N ATOM 1781 CA LYS A 117 13.414 -19.858 -9.454 1.00 21.13 C ATOM 1782 C LYS A 117 14.349 -20.642 -8.540 1.00 71.50 C ATOM 1783 O LYS A 117 15.433 -20.188 -8.161 1.00 35.15 O ATOM 1784 CB LYS A 117 14.129 -18.928 -10.436 1.00 23.12 C ATOM 1785 CG LYS A 117 14.665 -19.715 -11.640 1.00 24.25 C ATOM 1786 CD LYS A 117 15.226 -18.804 -12.736 1.00 45.04 C ATOM 1787 CE LYS A 117 14.136 -17.873 -13.282 1.00 21.52 C ATOM 1788 NZ LYS A 117 14.557 -17.165 -14.501 1.00 64.31 N ATOM 0 H LYS A 117 12.839 -18.106 -8.511 1.00 42.01 H new ATOM 0 HA LYS A 117 12.873 -20.574 -10.072 1.00 21.13 H new ATOM 0 HB2 LYS A 117 13.441 -18.155 -10.778 1.00 23.12 H new ATOM 0 HB3 LYS A 117 14.952 -18.422 -9.931 1.00 23.12 H new ATOM 0 HG2 LYS A 117 15.446 -20.397 -11.305 1.00 24.25 H new ATOM 0 HG3 LYS A 117 13.864 -20.327 -12.056 1.00 24.25 H new ATOM 0 HD2 LYS A 117 16.050 -18.212 -12.337 1.00 45.04 H new ATOM 0 HD3 LYS A 117 15.632 -19.410 -13.546 1.00 45.04 H new ATOM 0 HE2 LYS A 117 13.239 -18.455 -13.495 1.00 21.52 H new ATOM 0 HE3 LYS A 117 13.869 -17.144 -12.517 1.00 21.52 H new ATOM 0 HZ1 LYS A 117 13.785 -16.550 -14.829 1.00 64.31 H new ATOM 0 HZ2 LYS A 117 15.397 -16.587 -14.294 1.00 64.31 H new ATOM 0 HZ3 LYS A 117 14.787 -17.857 -15.243 1.00 64.31 H new ATOM 1802 N GLN A 118 13.846 -21.783 -8.106 1.00 60.23 N ATOM 1803 CA GLN A 118 14.463 -22.795 -7.265 1.00 75.53 C ATOM 1804 C GLN A 118 13.934 -24.149 -7.721 1.00 55.03 C ATOM 1805 O GLN A 118 13.247 -24.187 -8.769 1.00 62.40 O ATOM 1806 CB GLN A 118 14.119 -22.511 -5.793 1.00 11.24 C ATOM 1807 CG GLN A 118 12.610 -22.549 -5.480 1.00 60.32 C ATOM 1808 CD GLN A 118 12.313 -22.370 -3.993 1.00 24.15 C ATOM 1809 OE1 GLN A 118 12.896 -21.516 -3.320 1.00 61.53 O ATOM 1810 NE2 GLN A 118 11.382 -23.146 -3.466 1.00 75.31 N ATOM 0 H GLN A 118 12.896 -22.052 -8.360 1.00 60.23 H new ATOM 0 HA GLN A 118 15.550 -22.787 -7.351 1.00 75.53 H new ATOM 0 HB2 GLN A 118 14.628 -23.242 -5.165 1.00 11.24 H new ATOM 0 HB3 GLN A 118 14.511 -21.530 -5.522 1.00 11.24 H new ATOM 0 HG2 GLN A 118 12.106 -21.764 -6.044 1.00 60.32 H new ATOM 0 HG3 GLN A 118 12.197 -23.500 -5.817 1.00 60.32 H new ATOM 0 HE21 GLN A 118 10.914 -23.845 -4.043 1.00 75.31 H new ATOM 0 HE22 GLN A 118 11.131 -23.046 -2.482 1.00 75.31 H new